From e99c575c54ed2357af93fd7c7c9ff2d204f61a31 Mon Sep 17 00:00:00 2001
From: Carlo Camilloni <carlo.camilloni@gmail.com>
Date: Wed, 11 Dec 2024 10:01:47 +0100
Subject: [PATCH 1/2] updated ttrref regtest with a more correct inter_prior

---
 .../ttrref/ref_inter/intermat_1_1.ndx.gz      |  Bin 70322 -> 72333 bytes
 .../ttrref/case_1/ffnonbonded.itp             | 3450 ++++++++---------
 .../test_outputs/ttrref/case_1/topol_mego.top |   30 +-
 3 files changed, 1741 insertions(+), 1739 deletions(-)

diff --git a/test/test_inputs/ttrref/ref_inter/intermat_1_1.ndx.gz b/test/test_inputs/ttrref/ref_inter/intermat_1_1.ndx.gz
index d1230cfa8c39efc1dd2c5a5664ba3ec9bca91fea..44ae79d8854828d7b3e86d83de060ee900159d46 100644
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diff --git a/test/test_outputs/ttrref/case_1/ffnonbonded.itp b/test/test_outputs/ttrref/case_1/ffnonbonded.itp
index a57f682..9f9fbcc 100644
--- a/test/test_outputs/ttrref/case_1/ffnonbonded.itp
+++ b/test/test_outputs/ttrref/case_1/ffnonbonded.itp
@@ -94,100 +94,100 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
 
 [ nonbond_params ]
       ; ai         aj  type           c6          c12 ;    sigma       epsilon  probability  rc_probability  md_threshold  rc_threshold  same_chain    source number_ai number_aj
-   N_TTR_1    N_TTR_1     1 2.824415e-03 9.496583e-06 ; 0.387055  2.100051e-01     0.104772        0.000269      0.004451  1.097423e-02       False fibril_MD         1         1
-   N_TTR_1   CA_TTR_1     1 7.025610e-03 4.149892e-05 ; 0.425166  2.973522e-01     0.950635        0.000564      0.004451  8.927042e-03       False fibril_MD         1         2
-   N_TTR_1   CB_TTR_1     1 4.167248e-03 1.555886e-05 ; 0.393872  2.790364e-01     0.551190        0.000488      0.004451  9.945528e-03       False fibril_MD         1         3
-   N_TTR_1   CG_TTR_1     1 2.570123e-03 9.321629e-06 ; 0.391973  1.771560e-01     0.049933        0.000217      0.004451  1.097414e-02       False fibril_MD         1         4
-   N_TTR_1  CD1_TTR_1     1 1.305511e-03 2.488678e-06 ; 0.352126  1.712113e-01     0.396337        0.000317      0.004451  2.411251e-04       False fibril_MD         1         5
-   N_TTR_1  CD2_TTR_1     1 1.305511e-03 2.488678e-06 ; 0.352126  1.712113e-01     0.396337        0.000317      0.004451  2.411251e-04       False fibril_MD         1         6
-   N_TTR_1  CE1_TTR_1     1 1.773638e-03 5.867172e-06 ; 0.386006  1.340421e-01     0.087735        0.000330      0.004451  2.411251e-04       False fibril_MD         1         7
-   N_TTR_1  CE2_TTR_1     1 1.773638e-03 5.867172e-06 ; 0.386006  1.340421e-01     0.087735        0.000330      0.004451  2.411251e-04       False fibril_MD         1         8
-   N_TTR_1   CZ_TTR_1     1 2.123520e-03 8.325172e-06 ; 0.397090  1.354127e-01     0.090356        0.000321      0.004451  2.411251e-04       False fibril_MD         1         9
-   N_TTR_1   OH_TTR_1     1 3.697561e-04 2.068303e-07 ; 0.287045  1.652557e-01     0.453657        0.000465      0.004451  2.411251e-04       False fibril_MD         1        10
-   N_TTR_1    C_TTR_1     1 3.217321e-03 1.271406e-05 ; 0.397617  2.035376e-01     0.090548        0.000172      0.004451  1.097414e-02       False fibril_MD         1        11
-   N_TTR_1    O_TTR_1     1 8.433255e-04 6.554894e-07 ; 0.303223  2.712469e-01     0.417155        0.000237      0.004451  1.097431e-02       False fibril_MD         1        12
-   N_TTR_1   CA_TTR_2     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.001884        0.000215      0.004451  2.411251e-04       False fibril_MD         1        14
-   N_TTR_1   CB_TTR_2     1 3.671714e-03 3.808608e-05 ; 0.466999  8.849352e-02     0.019062        0.000478      0.004451  2.411251e-04       False fibril_MD         1        15
-   N_TTR_1  OG1_TTR_2     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000565        0.000226      0.004451  2.411251e-04       False fibril_MD         1        16
-   N_TTR_1  CG2_TTR_2     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000077        0.000541      0.004451  2.411251e-04       False fibril_MD         1        17
-   N_TTR_1    C_TTR_2     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000031      0.004451  2.411251e-04       False fibril_MD         1        18
-   N_TTR_1  CG1_TTR_3     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000222      0.004451  2.411251e-04       False fibril_MD         1        23
-   N_TTR_1   CD_TTR_3     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000000        0.000397      0.004451  2.411251e-04       False fibril_MD         1        25
-   N_TTR_1  CA_TTR_11     1 4.803963e-03 1.943328e-05 ; 0.399170  2.968885e-01     0.940290        0.001892      0.004451  8.927042e-03       False fibril_MD         1        80
-   N_TTR_1  CB_TTR_11     1 1.852647e-03 3.258692e-06 ; 0.347436  2.633188e-01     0.383653        0.001671      0.004451  9.945528e-03       False fibril_MD         1        81
-   N_TTR_1  OG_TTR_11     1 2.761021e-04 7.798839e-08 ; 0.256149  2.443709e-01     0.227491        0.000989      0.004451  1.097429e-02       False fibril_MD         1        82
-   N_TTR_1   C_TTR_11     1 7.442096e-04 4.474022e-07 ; 0.290514  3.094799e-01     0.988363        0.001108      0.004451  1.097414e-02       False fibril_MD         1        83
-   N_TTR_1  O1_TTR_11     1 2.256833e-04 4.128094e-08 ; 0.238255  3.084531e-01     0.965709        0.000868      0.004451  1.097435e-02       False fibril_MD         1        84
-   N_TTR_1  O2_TTR_11     1 2.256833e-04 4.128094e-08 ; 0.238255  3.084531e-01     0.965709        0.000868      0.004451  1.097435e-02       False fibril_MD         1        85
-  CA_TTR_1   CA_TTR_1     1 8.259611e-03 5.881363e-05 ; 0.438618  2.899888e-01     0.999740        0.000678      0.004451  7.281617e-03       False fibril_MD         2         2
-  CA_TTR_1   CB_TTR_1     1 4.920268e-03 2.052690e-05 ; 0.401226  2.948452e-01     0.999557        0.000655      0.004451  8.099766e-03       False fibril_MD         2         3
-  CA_TTR_1   CG_TTR_1     1 1.215041e-02 1.248401e-04 ; 0.466259  2.956430e-01     0.913070        0.000274      0.004451  8.926971e-03       False fibril_MD         2         4
-  CA_TTR_1  CD1_TTR_1     1 8.022957e-03 5.467353e-05 ; 0.435419  2.943282e-01     0.885180        0.000468      0.004451  8.926971e-03       False fibril_MD         2         5
-  CA_TTR_1  CD2_TTR_1     1 8.022957e-03 5.467353e-05 ; 0.435419  2.943282e-01     0.885180        0.000468      0.004451  8.926971e-03       False fibril_MD         2         6
-  CA_TTR_1  CE1_TTR_1     1 5.566784e-03 5.365150e-05 ; 0.461314  1.443999e-01     0.251297        0.000614      0.004451  2.411251e-04       False fibril_MD         2         7
-  CA_TTR_1  CE2_TTR_1     1 5.566784e-03 5.365150e-05 ; 0.461314  1.443999e-01     0.251297        0.000614      0.004451  2.411251e-04       False fibril_MD         2         8
-  CA_TTR_1   CZ_TTR_1     1 6.359826e-03 8.180649e-05 ; 0.484050  1.236069e-01     0.105526        0.000613      0.004451  2.411251e-04       False fibril_MD         2         9
-  CA_TTR_1   OH_TTR_1     1 3.133921e-03 1.749520e-05 ; 0.421184  1.403451e-01     0.272740        0.000789      0.004451  2.411251e-04       False fibril_MD         2        10
-  CA_TTR_1    C_TTR_1     1 6.327852e-03 3.349277e-05 ; 0.417461  2.988832e-01     0.985610        0.000189      0.004451  8.926971e-03       False fibril_MD         2        11
-  CA_TTR_1    O_TTR_1     1 1.006254e-03 8.454516e-07 ; 0.307183  2.994102e-01     0.997922        0.000229      0.004451  8.927106e-03       False fibril_MD         2        12
-  CA_TTR_1    N_TTR_2     1 9.909265e-03 8.273591e-05 ; 0.450411  2.967077e-01     0.936288        0.000057      0.004451  8.927042e-03       False fibril_MD         2        13
-  CA_TTR_1   CA_TTR_2     1 2.871132e-02 7.110670e-04 ; 0.539895  2.898250e-01     0.995718        0.000366      0.004451  7.281617e-03       False fibril_MD         2        14
-  CA_TTR_1   CB_TTR_2     1 1.549634e-02 3.656467e-04 ; 0.535557  1.641862e-01     0.742751        0.000796      0.004451  2.411251e-04       False fibril_MD         2        15
-  CA_TTR_1  OG1_TTR_2     1 2.251270e-03 1.515420e-05 ; 0.434528  8.361072e-02     0.008558        0.000263      0.004451  2.411251e-04       False fibril_MD         2        16
-  CA_TTR_1  CG2_TTR_2     1 6.778088e-03 1.209951e-04 ; 0.511223  9.492635e-02     0.038369        0.000736      0.004451  2.411251e-04       False fibril_MD         2        17
-  CA_TTR_1    C_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.003968        0.000043      0.004451  2.411251e-04       False fibril_MD         2        18
-  CA_TTR_1    O_TTR_2     1 4.638354e-03 3.835371e-05 ; 0.449684  1.402363e-01     0.082975        0.000071      0.004451  2.411251e-04       False fibril_MD         2        19
-  CA_TTR_1    N_TTR_3     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000008      0.004451  2.411251e-04       False fibril_MD         2        20
-  CA_TTR_1   CA_TTR_3     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000004        0.000267      0.004451  2.411251e-04       False fibril_MD         2        21
-  CA_TTR_1   CB_TTR_3     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000190        0.000495      0.004451  2.411251e-04       False fibril_MD         2        22
-  CA_TTR_1  CG1_TTR_3     1 6.730558e-03 1.424263e-04 ; 0.525924  7.951553e-02     0.010920        0.000398      0.004451  2.411251e-04       False fibril_MD         2        23
-  CA_TTR_1  CG2_TTR_3     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000278        0.000525      0.004451  2.411251e-04       False fibril_MD         2        24
-  CA_TTR_1   CD_TTR_3     1 6.237322e-03 9.077372e-05 ; 0.494114  1.071461e-01     0.056371        0.000650      0.004451  2.411251e-04       False fibril_MD         2        25
-  CA_TTR_1    C_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000064      0.004451  2.411251e-04       False fibril_MD         2        26
-  CA_TTR_1    O_TTR_3     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000123      0.004451  2.411251e-04       False fibril_MD         2        27
+   N_TTR_1    N_TTR_1     1 2.824415e-03 9.496583e-06 ; 0.387055  2.100051e-01     0.104772        0.000854      0.004451  1.097423e-02       False fibril_MD         1         1
+   N_TTR_1   CA_TTR_1     1 7.025610e-03 4.149892e-05 ; 0.425166  2.973522e-01     0.950635        0.002038      0.004451  8.927042e-03       False fibril_MD         1         2
+   N_TTR_1   CB_TTR_1     1 4.167248e-03 1.555886e-05 ; 0.393872  2.790364e-01     0.551190        0.001948      0.004451  9.945528e-03       False fibril_MD         1         3
+   N_TTR_1   CG_TTR_1     1 2.570123e-03 9.321629e-06 ; 0.391973  1.771560e-01     0.049933        0.001350      0.004451  1.097414e-02       False fibril_MD         1         4
+   N_TTR_1  CD1_TTR_1     1 1.006530e-03 1.918734e-06 ; 0.352126  1.320014e-01     0.396337        0.001623      0.004451  2.411251e-04       False fibril_MD         1         5
+   N_TTR_1  CD2_TTR_1     1 1.006530e-03 1.918734e-06 ; 0.352126  1.320014e-01     0.396337        0.001623      0.004451  2.411251e-04       False fibril_MD         1         6
+   N_TTR_1  CE1_TTR_1     1 1.227889e-03 4.061843e-06 ; 0.386006  9.279733e-02     0.087735        0.001839      0.004451  2.411251e-04       False fibril_MD         1         7
+   N_TTR_1  CE2_TTR_1     1 1.227889e-03 4.061843e-06 ; 0.386006  9.279733e-02     0.087735        0.001839      0.004451  2.411251e-04       False fibril_MD         1         8
+   N_TTR_1   CZ_TTR_1     1 1.476694e-03 5.789317e-06 ; 0.397090  9.416588e-02     0.090356        0.001789      0.004451  2.411251e-04       False fibril_MD         1         9
+   N_TTR_1   OH_TTR_1     1 3.045616e-04 1.703625e-07 ; 0.287045  1.361182e-01     0.453657        0.001565      0.004451  2.411251e-04       False fibril_MD         1        10
+   N_TTR_1    C_TTR_1     1 3.217321e-03 1.271406e-05 ; 0.397617  2.035376e-01     0.090548        0.000887      0.004451  1.097414e-02       False fibril_MD         1        11
+   N_TTR_1    O_TTR_1     1 8.433255e-04 6.554894e-07 ; 0.303223  2.712469e-01     0.417155        0.000898      0.004451  1.097431e-02       False fibril_MD         1        12
+   N_TTR_1   CA_TTR_2     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.001884        0.001850      0.004451  2.411251e-04       False fibril_MD         1        14
+   N_TTR_1   CB_TTR_2     1 0.000000e+00 8.324761e-05 ; 0.457121 -8.324761e-05     0.019062        0.002690      0.004451  2.411251e-04       False fibril_MD         1        15
+   N_TTR_1  OG1_TTR_2     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000565        0.001199      0.004451  2.411251e-04       False fibril_MD         1        16
+   N_TTR_1  CG2_TTR_2     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000077        0.002266      0.004451  2.411251e-04       False fibril_MD         1        17
+   N_TTR_1    C_TTR_2     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000672      0.004451  2.411251e-04       False fibril_MD         1        18
+   N_TTR_1  CG1_TTR_3     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.002081      0.004451  2.411251e-04       False fibril_MD         1        23
+   N_TTR_1   CD_TTR_3     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000000        0.002502      0.004451  2.411251e-04       False fibril_MD         1        25
+   N_TTR_1  CA_TTR_11     1 4.803963e-03 1.943328e-05 ; 0.399170  2.968885e-01     0.940290        0.002252      0.004451  8.927042e-03       False fibril_MD         1        80
+   N_TTR_1  CB_TTR_11     1 1.852647e-03 3.258692e-06 ; 0.347436  2.633188e-01     0.383653        0.002083      0.004451  9.945528e-03       False fibril_MD         1        81
+   N_TTR_1  OG_TTR_11     1 2.761021e-04 7.798839e-08 ; 0.256149  2.443709e-01     0.227491        0.001266      0.004451  1.097429e-02       False fibril_MD         1        82
+   N_TTR_1   C_TTR_11     1 7.442096e-04 4.474022e-07 ; 0.290514  3.094799e-01     0.988363        0.001216      0.004451  1.097414e-02       False fibril_MD         1        83
+   N_TTR_1  O1_TTR_11     1 2.256833e-04 4.128094e-08 ; 0.238255  3.084531e-01     0.965709        0.000950      0.004451  1.097435e-02       False fibril_MD         1        84
+   N_TTR_1  O2_TTR_11     1 2.256833e-04 4.128094e-08 ; 0.238255  3.084531e-01     0.965709        0.000950      0.004451  1.097435e-02       False fibril_MD         1        85
+  CA_TTR_1   CA_TTR_1     1 8.259611e-03 5.881363e-05 ; 0.438618  2.899888e-01     0.999740        0.002626      0.004451  7.281617e-03       False fibril_MD         2         2
+  CA_TTR_1   CB_TTR_1     1 4.920268e-03 2.052690e-05 ; 0.401226  2.948452e-01     0.999557        0.002960      0.004451  8.099766e-03       False fibril_MD         2         3
+  CA_TTR_1   CG_TTR_1     1 1.215041e-02 1.248401e-04 ; 0.466259  2.956430e-01     0.913070        0.002057      0.004451  8.926971e-03       False fibril_MD         2         4
+  CA_TTR_1  CD1_TTR_1     1 8.022957e-03 5.467353e-05 ; 0.435419  2.943282e-01     0.885180        0.002602      0.004451  8.926971e-03       False fibril_MD         2         5
+  CA_TTR_1  CD2_TTR_1     1 8.022957e-03 5.467353e-05 ; 0.435419  2.943282e-01     0.885180        0.002602      0.004451  8.926971e-03       False fibril_MD         2         6
+  CA_TTR_1  CE1_TTR_1     1 4.088654e-03 3.940559e-05 ; 0.461314  1.060579e-01     0.251297        0.003032      0.004451  2.411251e-04       False fibril_MD         2         7
+  CA_TTR_1  CE2_TTR_1     1 4.088654e-03 3.940559e-05 ; 0.461314  1.060579e-01     0.251297        0.003032      0.004451  2.411251e-04       False fibril_MD         2         8
+  CA_TTR_1   CZ_TTR_1     1 4.360431e-03 5.608826e-05 ; 0.484050  8.474750e-02     0.105526        0.003093      0.004451  2.411251e-04       False fibril_MD         2         9
+  CA_TTR_1   OH_TTR_1     1 2.481756e-03 1.385447e-05 ; 0.421184  1.111394e-01     0.272740        0.002663      0.004451  2.411251e-04       False fibril_MD         2        10
+  CA_TTR_1    C_TTR_1     1 6.327852e-03 3.349277e-05 ; 0.417461  2.988832e-01     0.985610        0.001222      0.004451  8.926971e-03       False fibril_MD         2        11
+  CA_TTR_1    O_TTR_1     1 1.006254e-03 8.454516e-07 ; 0.307183  2.994102e-01     0.997922        0.001336      0.004451  8.927106e-03       False fibril_MD         2        12
+  CA_TTR_1    N_TTR_2     1 9.909265e-03 8.273591e-05 ; 0.450411  2.967077e-01     0.936288        0.000623      0.004451  8.927042e-03       False fibril_MD         2        13
+  CA_TTR_1   CA_TTR_2     1 2.871132e-02 7.110670e-04 ; 0.539895  2.898250e-01     0.995718        0.003255      0.004451  7.281617e-03       False fibril_MD         2        14
+  CA_TTR_1   CB_TTR_2     1 1.138687e-02 2.686808e-04 ; 0.535557  1.206457e-01     0.742751        0.004881      0.004451  2.411251e-04       False fibril_MD         2        15
+  CA_TTR_1  OG1_TTR_2     1 0.000000e+00 3.410036e-05 ; 0.424356 -3.410036e-05     0.008558        0.002020      0.004451  2.411251e-04       False fibril_MD         2        16
+  CA_TTR_1  CG2_TTR_2     1 0.000000e+00 2.399067e-04 ; 0.499272 -2.399067e-04     0.038369        0.003895      0.004451  2.411251e-04       False fibril_MD         2        17
+  CA_TTR_1    C_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.003968        0.000815      0.004451  2.411251e-04       False fibril_MD         2        18
+  CA_TTR_1    O_TTR_2     1 3.508787e-03 2.901352e-05 ; 0.449684  1.060849e-01     0.082975        0.001000      0.004451  2.411251e-04       False fibril_MD         2        19
+  CA_TTR_1    N_TTR_3     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000463      0.004451  2.411251e-04       False fibril_MD         2        20
+  CA_TTR_1   CA_TTR_3     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000004        0.002951      0.004451  2.411251e-04       False fibril_MD         2        21
+  CA_TTR_1   CB_TTR_3     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000190        0.004356      0.004451  2.411251e-04       False fibril_MD         2        22
+  CA_TTR_1  CG1_TTR_3     1 0.000000e+00 3.149850e-04 ; 0.510729 -3.149850e-04     0.010920        0.003770      0.004451  2.411251e-04       False fibril_MD         2        23
+  CA_TTR_1  CG2_TTR_3     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000278        0.003412      0.004451  2.411251e-04       False fibril_MD         2        24
+  CA_TTR_1   CD_TTR_3     1 0.000000e+00 2.532459e-04 ; 0.501528 -2.532459e-04     0.056371        0.004382      0.004451  2.411251e-04       False fibril_MD         2        25
+  CA_TTR_1    C_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000822      0.004451  2.411251e-04       False fibril_MD         2        26
+  CA_TTR_1    O_TTR_3     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000992      0.004451  2.411251e-04       False fibril_MD         2        27
   CA_TTR_1    O_TTR_5     1 3.147174e-04 3.333738e-07 ; 0.319278  7.427624e-02     0.001749        0.000464      0.001408  6.281274e-03        True native_MD         2        37
   CA_TTR_1   CA_TTR_6     1 5.835899e-03 9.082385e-05 ; 0.499669  9.374662e-02     0.005162        0.001857      0.001408  4.204789e-03        True native_MD         2        39
   CA_TTR_1   CB_TTR_8     1 2.647604e-03 2.006360e-05 ; 0.443193  8.734488e-02     0.003504        0.004929      0.001408  5.203740e-03        True native_MD         2        56
   CA_TTR_1   OG_TTR_8     1 5.591533e-04 1.046158e-06 ; 0.351030  7.471443e-02     0.001788        0.003243      0.001408  6.281250e-03        True native_MD         2        57
-  CA_TTR_1  CB_TTR_10     1 6.847407e-03 1.537585e-04 ; 0.531152  7.623477e-02     0.005172        0.002692      0.004451  8.099766e-03       False fibril_MD         2        69
-  CA_TTR_1  CG_TTR_10     1 6.915379e-03 9.239579e-05 ; 0.487124  1.293957e-01     0.018074        0.001684      0.004451  8.926971e-03       False fibril_MD         2        70
-  CA_TTR_1 CD1_TTR_10     1 7.002941e-03 5.072714e-05 ; 0.439872  2.416911e-01     0.255674        0.002106      0.004451  8.926971e-03       False fibril_MD         2        71
-  CA_TTR_1 CD2_TTR_10     1 7.002941e-03 5.072714e-05 ; 0.439872  2.416911e-01     0.255674        0.002106      0.004451  8.926971e-03       False fibril_MD         2        72
-  CA_TTR_1 CE1_TTR_10     1 5.813668e-03 3.082013e-05 ; 0.417571  2.741612e-01     0.514515        0.002572      0.004451  9.530304e-03       False fibril_MD         2        73
-  CA_TTR_1 CE2_TTR_10     1 5.813668e-03 3.082013e-05 ; 0.417571  2.741612e-01     0.514515        0.002572      0.004451  9.530304e-03       False fibril_MD         2        74
-  CA_TTR_1  CZ_TTR_10     1 8.620365e-03 6.399106e-05 ; 0.441671  2.903167e-01     0.545224        0.002685      0.004451  1.271863e-02       False fibril_MD         2        75
-  CA_TTR_1  OH_TTR_10     1 3.790161e-03 1.322781e-05 ; 0.389468  2.714984e-01     0.352417        0.002476      0.004451  1.304727e-02       False fibril_MD         2        76
-  CA_TTR_1  CA_TTR_11     1 2.177390e-02 4.133172e-04 ; 0.516485  2.867670e-01     0.923528        0.003745      0.004451  7.281617e-03       False fibril_MD         2        80
-  CA_TTR_1  CB_TTR_11     1 1.206056e-02 1.372218e-04 ; 0.474252  2.650035e-01     0.487230        0.003191      0.004451  8.099766e-03       False fibril_MD         2        81
-  CA_TTR_1  OG_TTR_11     1 1.738190e-03 2.988456e-06 ; 0.346119  2.527479e-01     0.331875        0.001759      0.004451  8.927088e-03       False fibril_MD         2        82
-  CA_TTR_1   C_TTR_11     1 4.962963e-03 2.061196e-05 ; 0.400925  2.987465e-01     0.982435        0.001763      0.004451  8.926971e-03       False fibril_MD         2        83
-  CA_TTR_1  O1_TTR_11     1 1.548043e-03 2.021061e-06 ; 0.330597  2.964331e-01     0.930230        0.001240      0.004451  8.927140e-03       False fibril_MD         2        84
-  CA_TTR_1  O2_TTR_11     1 1.548043e-03 2.021061e-06 ; 0.330597  2.964331e-01     0.930230        0.001240      0.004451  8.927140e-03       False fibril_MD         2        85
-  CB_TTR_1   CB_TTR_1     1 5.235516e-03 2.287844e-05 ; 0.404338  2.995246e-01     0.989083        0.000314      0.004451  9.017767e-03       False fibril_MD         3         3
-  CB_TTR_1   CG_TTR_1     1 3.715434e-03 1.135915e-05 ; 0.380969  3.038178e-01     0.975918        0.000282      0.004451  9.945448e-03       False fibril_MD         3         4
-  CB_TTR_1  CD1_TTR_1     1 1.714403e-03 2.459505e-06 ; 0.335832  2.987571e-01     0.868452        0.000443      0.004451  9.945448e-03       False fibril_MD         3         5
-  CB_TTR_1  CD2_TTR_1     1 1.714403e-03 2.459505e-06 ; 0.335832  2.987571e-01     0.868452        0.000443      0.004451  9.945448e-03       False fibril_MD         3         6
-  CB_TTR_1  CE1_TTR_1     1 1.423644e-03 1.858651e-06 ; 0.330597  2.726121e-01     0.475319        0.000555      0.004451  9.945448e-03       False fibril_MD         3         7
-  CB_TTR_1  CE2_TTR_1     1 1.423644e-03 1.858651e-06 ; 0.330597  2.726121e-01     0.475319        0.000555      0.004451  9.945448e-03       False fibril_MD         3         8
-  CB_TTR_1   CZ_TTR_1     1 1.871223e-03 5.371005e-06 ; 0.376983  1.629805e-01     0.548414        0.000618      0.004451  2.411251e-04       False fibril_MD         3         9
-  CB_TTR_1   OH_TTR_1     1 1.897679e-03 7.327320e-06 ; 0.396084  1.228685e-01     0.112179        0.000672      0.004451  2.411251e-04       False fibril_MD         3        10
-  CB_TTR_1    C_TTR_1     1 9.421418e-03 7.595403e-05 ; 0.447788  2.921607e-01     0.745939        0.000125      0.004451  9.945448e-03       False fibril_MD         3        11
-  CB_TTR_1    O_TTR_1     1 2.781406e-03 6.519741e-06 ; 0.364469  2.966459e-01     0.827183        0.000118      0.004451  9.945599e-03       False fibril_MD         3        12
-  CB_TTR_1    N_TTR_2     1 6.991484e-03 4.368195e-05 ; 0.429163  2.797543e-01     0.560387        0.000024      0.004451  9.945528e-03       False fibril_MD         3        13
-  CB_TTR_1   CA_TTR_2     1 1.513509e-02 3.265835e-04 ; 0.527637  1.753541e-01     0.358249        0.000210      0.004451  2.411251e-04       False fibril_MD         3        14
-  CB_TTR_1   CB_TTR_2     1 1.037134e-02 2.354999e-04 ; 0.532140  1.141877e-01     0.056630        0.000487      0.004451  2.411251e-04       False fibril_MD         3        15
-  CB_TTR_1  OG1_TTR_2     1 0.000000e+00 2.783506e-06 ; 0.344389 -2.783506e-06     0.000013        0.000163      0.004451  2.411251e-04       False fibril_MD         3        16
-  CB_TTR_1  CG2_TTR_2     1 0.000000e+00 1.151981e-05 ; 0.387662 -1.151981e-05     0.000084        0.000433      0.004451  2.411251e-04       False fibril_MD         3        17
-  CB_TTR_1    C_TTR_2     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000422        0.000013      0.004451  2.411251e-04       False fibril_MD         3        18
-  CB_TTR_1    O_TTR_2     1 1.621009e-03 8.685092e-06 ; 0.418310  7.563740e-02     0.005629        0.000046      0.004451  2.411251e-04       False fibril_MD         3        19
-  CB_TTR_1    N_TTR_3     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD         3        20
-  CB_TTR_1   CA_TTR_3     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000009        0.000152      0.004451  2.411251e-04       False fibril_MD         3        21
-  CB_TTR_1   CB_TTR_3     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000079        0.000366      0.004451  2.411251e-04       False fibril_MD         3        22
-  CB_TTR_1  CG1_TTR_3     1 5.402360e-03 6.922321e-05 ; 0.483739  1.054036e-01     0.022341        0.000277      0.004451  2.411251e-04       False fibril_MD         3        23
-  CB_TTR_1  CG2_TTR_3     1 0.000000e+00 1.151981e-05 ; 0.387662 -1.151981e-05     0.000458        0.000357      0.004451  2.411251e-04       False fibril_MD         3        24
-  CB_TTR_1   CD_TTR_3     1 3.720493e-03 2.870583e-05 ; 0.444524  1.205510e-01     0.067450        0.000445      0.004451  2.411251e-04       False fibril_MD         3        25
-  CB_TTR_1    C_TTR_3     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000026      0.004451  2.411251e-04       False fibril_MD         3        26
-  CB_TTR_1    O_TTR_3     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000075      0.004451  2.411251e-04       False fibril_MD         3        27
+  CA_TTR_1  CB_TTR_10     1 6.847407e-03 1.537585e-04 ; 0.531152  7.623477e-02     0.005172        0.003321      0.004451  8.099766e-03       False fibril_MD         2        69
+  CA_TTR_1  CG_TTR_10     1 6.915379e-03 9.239579e-05 ; 0.487124  1.293957e-01     0.018074        0.002048      0.004451  8.926971e-03       False fibril_MD         2        70
+  CA_TTR_1 CD1_TTR_10     1 7.002941e-03 5.072714e-05 ; 0.439872  2.416911e-01     0.255674        0.002696      0.004451  8.926971e-03       False fibril_MD         2        71
+  CA_TTR_1 CD2_TTR_10     1 7.002941e-03 5.072714e-05 ; 0.439872  2.416911e-01     0.255674        0.002696      0.004451  8.926971e-03       False fibril_MD         2        72
+  CA_TTR_1 CE1_TTR_10     1 5.813668e-03 3.082013e-05 ; 0.417571  2.741612e-01     0.514515        0.003273      0.004451  9.530304e-03       False fibril_MD         2        73
+  CA_TTR_1 CE2_TTR_10     1 5.813668e-03 3.082013e-05 ; 0.417571  2.741612e-01     0.514515        0.003273      0.004451  9.530304e-03       False fibril_MD         2        74
+  CA_TTR_1  CZ_TTR_10     1 8.620365e-03 6.399106e-05 ; 0.441671  2.903167e-01     0.545224        0.003266      0.004451  1.271863e-02       False fibril_MD         2        75
+  CA_TTR_1  OH_TTR_10     1 3.790161e-03 1.322781e-05 ; 0.389468  2.714984e-01     0.352417        0.002889      0.004451  1.304727e-02       False fibril_MD         2        76
+  CA_TTR_1  CA_TTR_11     1 2.177390e-02 4.133172e-04 ; 0.516485  2.867670e-01     0.923528        0.004591      0.004451  7.281617e-03       False fibril_MD         2        80
+  CA_TTR_1  CB_TTR_11     1 1.206056e-02 1.372218e-04 ; 0.474252  2.650035e-01     0.487230        0.003954      0.004451  8.099766e-03       False fibril_MD         2        81
+  CA_TTR_1  OG_TTR_11     1 1.738190e-03 2.988456e-06 ; 0.346119  2.527479e-01     0.331875        0.002207      0.004451  8.927088e-03       False fibril_MD         2        82
+  CA_TTR_1   C_TTR_11     1 4.962963e-03 2.061196e-05 ; 0.400925  2.987465e-01     0.982435        0.002214      0.004451  8.926971e-03       False fibril_MD         2        83
+  CA_TTR_1  O1_TTR_11     1 1.548043e-03 2.021061e-06 ; 0.330597  2.964331e-01     0.930230        0.001551      0.004451  8.927140e-03       False fibril_MD         2        84
+  CA_TTR_1  O2_TTR_11     1 1.548043e-03 2.021061e-06 ; 0.330597  2.964331e-01     0.930230        0.001551      0.004451  8.927140e-03       False fibril_MD         2        85
+  CB_TTR_1   CB_TTR_1     1 5.235516e-03 2.287844e-05 ; 0.404338  2.995246e-01     0.989083        0.001331      0.004451  9.017767e-03       False fibril_MD         3         3
+  CB_TTR_1   CG_TTR_1     1 3.715434e-03 1.135915e-05 ; 0.380969  3.038178e-01     0.975918        0.001184      0.004451  9.945448e-03       False fibril_MD         3         4
+  CB_TTR_1  CD1_TTR_1     1 1.714403e-03 2.459505e-06 ; 0.335832  2.987571e-01     0.868452        0.001755      0.004451  9.945448e-03       False fibril_MD         3         5
+  CB_TTR_1  CD2_TTR_1     1 1.714403e-03 2.459505e-06 ; 0.335832  2.987571e-01     0.868452        0.001755      0.004451  9.945448e-03       False fibril_MD         3         6
+  CB_TTR_1  CE1_TTR_1     1 1.423644e-03 1.858651e-06 ; 0.330597  2.726121e-01     0.475319        0.002115      0.004451  9.945448e-03       False fibril_MD         3         7
+  CB_TTR_1  CE2_TTR_1     1 1.423644e-03 1.858651e-06 ; 0.330597  2.726121e-01     0.475319        0.002115      0.004451  9.945448e-03       False fibril_MD         3         8
+  CB_TTR_1   CZ_TTR_1     1 1.531819e-03 4.396808e-06 ; 0.376983  1.334190e-01     0.548414        0.002117      0.004451  2.411251e-04       False fibril_MD         3         9
+  CB_TTR_1   OH_TTR_1     1 1.493995e-03 5.768612e-06 ; 0.396084  9.673125e-02     0.112179        0.001996      0.004451  2.411251e-04       False fibril_MD         3        10
+  CB_TTR_1    C_TTR_1     1 9.421418e-03 7.595403e-05 ; 0.447788  2.921607e-01     0.745939        0.001051      0.004451  9.945448e-03       False fibril_MD         3        11
+  CB_TTR_1    O_TTR_1     1 2.781406e-03 6.519741e-06 ; 0.364469  2.966459e-01     0.827183        0.001102      0.004451  9.945599e-03       False fibril_MD         3        12
+  CB_TTR_1    N_TTR_2     1 6.991484e-03 4.368195e-05 ; 0.429163  2.797543e-01     0.560387        0.000514      0.004451  9.945528e-03       False fibril_MD         3        13
+  CB_TTR_1   CA_TTR_2     1 1.031449e-02 2.225651e-04 ; 0.527637  1.195030e-01     0.358249        0.002469      0.004451  2.411251e-04       False fibril_MD         3        14
+  CB_TTR_1   CB_TTR_2     1 0.000000e+00 4.584257e-04 ; 0.526954 -4.584257e-04     0.056630        0.003715      0.004451  2.411251e-04       False fibril_MD         3        15
+  CB_TTR_1  OG1_TTR_2     1 0.000000e+00 2.783506e-06 ; 0.344389 -2.783506e-06     0.000013        0.001550      0.004451  2.411251e-04       False fibril_MD         3        16
+  CB_TTR_1  CG2_TTR_2     1 0.000000e+00 1.151981e-05 ; 0.387662 -1.151981e-05     0.000084        0.003008      0.004451  2.411251e-04       False fibril_MD         3        17
+  CB_TTR_1    C_TTR_2     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000422        0.000662      0.004451  2.411251e-04       False fibril_MD         3        18
+  CB_TTR_1    O_TTR_2     1 0.000000e+00 4.031312e-05 ; 0.430316 -4.031312e-05     0.005629        0.000801      0.004451  2.411251e-04       False fibril_MD         3        19
+  CB_TTR_1    N_TTR_3     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000377      0.004451  2.411251e-04       False fibril_MD         3        20
+  CB_TTR_1   CA_TTR_3     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000009        0.002036      0.004451  2.411251e-04       False fibril_MD         3        21
+  CB_TTR_1   CB_TTR_3     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000079        0.002946      0.004451  2.411251e-04       False fibril_MD         3        22
+  CB_TTR_1  CG1_TTR_3     1 0.000000e+00 1.317766e-04 ; 0.474956 -1.317766e-04     0.022341        0.002529      0.004451  2.411251e-04       False fibril_MD         3        23
+  CB_TTR_1  CG2_TTR_3     1 0.000000e+00 1.151981e-05 ; 0.387662 -1.151981e-05     0.000458        0.002549      0.004451  2.411251e-04       False fibril_MD         3        24
+  CB_TTR_1   CD_TTR_3     1 2.267992e-03 1.749891e-05 ; 0.444524  7.348723e-02     0.067450        0.003160      0.004451  2.411251e-04       False fibril_MD         3        25
+  CB_TTR_1    C_TTR_3     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000646      0.004451  2.411251e-04       False fibril_MD         3        26
+  CB_TTR_1    O_TTR_3     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000749      0.004451  2.411251e-04       False fibril_MD         3        27
   CB_TTR_1    C_TTR_5     1 9.733230e-04 2.160984e-06 ; 0.361187  1.095979e-01     0.009676        0.001129      0.001408  7.688303e-03        True native_MD         3        36
   CB_TTR_1    O_TTR_5     1 3.371138e-04 2.903033e-07 ; 0.308446  9.786811e-02     0.005466        0.001154      0.001408  7.688518e-03        True native_MD         3        37
   CB_TTR_1   CA_TTR_6     1 1.909996e-03 8.314017e-06 ; 0.404076  1.096968e-01     0.011352        0.003784      0.001408  5.203740e-03        True native_MD         3        39
@@ -197,45 +197,45 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
   CB_TTR_1   CA_TTR_8     1 2.060016e-03 1.385094e-05 ; 0.434445  7.659526e-02     0.001991        0.004672      0.001408  5.203740e-03        True native_MD         3        55
   CB_TTR_1   CB_TTR_8     1 8.105369e-04 2.090487e-06 ; 0.370322  7.856664e-02     0.002170        0.005683      0.001408  6.403102e-03        True native_MD         3        56
   CB_TTR_1   OG_TTR_8     1 2.976314e-04 2.974118e-07 ; 0.316189  7.446280e-02     0.001749        0.003748      0.001408  7.688490e-03        True native_MD         3        57
-  CB_TTR_1  CA_TTR_10     1 7.709226e-03 1.819498e-04 ; 0.535579  8.166012e-02     0.005921        0.001940      0.004451  7.484532e-03       False fibril_MD         3        68
-  CB_TTR_1  CB_TTR_10     1 1.170850e-02 1.435086e-04 ; 0.480171  2.388165e-01     0.255664        0.001868      0.004451  8.238135e-03       False fibril_MD         3        69
-  CB_TTR_1  CG_TTR_10     1 6.657529e-03 4.025385e-05 ; 0.426824  2.752699e-01     0.583516        0.001167      0.004451  8.645089e-03       False fibril_MD         3        70
-  CB_TTR_1 CD1_TTR_10     1 3.294119e-03 8.970601e-06 ; 0.373692  3.024106e-01     0.739063        0.001555      0.004451  1.228558e-02       False fibril_MD         3        71
-  CB_TTR_1 CD2_TTR_10     1 3.294119e-03 8.970601e-06 ; 0.373692  3.024106e-01     0.739063        0.001555      0.004451  1.228558e-02       False fibril_MD         3        72
-  CB_TTR_1 CE1_TTR_10     1 2.378463e-03 4.456741e-06 ; 0.351118  3.173331e-01     0.861986        0.001942      0.004451  1.414612e-02       False fibril_MD         3        73
-  CB_TTR_1 CE2_TTR_10     1 2.378463e-03 4.456741e-06 ; 0.351118  3.173331e-01     0.861986        0.001942      0.004451  1.414612e-02       False fibril_MD         3        74
-  CB_TTR_1  CZ_TTR_10     1 2.644984e-03 5.388955e-06 ; 0.356052  3.245500e-01     0.911328        0.001971      0.004451  1.527833e-02       False fibril_MD         3        75
-  CB_TTR_1  OH_TTR_10     1 1.835171e-03 2.745606e-06 ; 0.338190  3.066586e-01     0.608884        0.001964      0.004451  1.566039e-02       False fibril_MD         3        76
-  CB_TTR_1  CA_TTR_11     1 1.729897e-02 2.745164e-04 ; 0.501293  2.725286e-01     0.549974        0.002513      0.004451  8.594744e-03       False fibril_MD         3        80
-  CB_TTR_1  CB_TTR_11     1 1.287902e-02 1.732838e-04 ; 0.487692  2.393029e-01     0.265014        0.002273      0.004451  8.005527e-03       False fibril_MD         3        81
-  CB_TTR_1  OG_TTR_11     1 3.254585e-03 1.337166e-05 ; 0.400204  1.980368e-01     0.085181        0.001283      0.004451  9.945580e-03       False fibril_MD         3        82
-  CB_TTR_1   C_TTR_11     1 6.369419e-03 3.401913e-05 ; 0.418091  2.981374e-01     0.856134        0.001363      0.004451  9.945448e-03       False fibril_MD         3        83
-  CB_TTR_1  O1_TTR_11     1 1.232302e-03 1.308634e-06 ; 0.319411  2.901054e-01     0.711405        0.000993      0.004451  9.945638e-03       False fibril_MD         3        84
-  CB_TTR_1  O2_TTR_11     1 1.232302e-03 1.308634e-06 ; 0.319411  2.901054e-01     0.711405        0.000993      0.004451  9.945638e-03       False fibril_MD         3        85
-  CG_TTR_1   CG_TTR_1     1 5.089159e-03 2.178648e-05 ; 0.402955  2.971974e-01     0.749160        0.000091      0.004451  1.097406e-02       False fibril_MD         4         4
-  CG_TTR_1  CD1_TTR_1     1 2.104062e-03 3.606226e-06 ; 0.345939  3.069050e-01     0.932592        0.000249      0.004451  1.097406e-02       False fibril_MD         4         5
-  CG_TTR_1  CD2_TTR_1     1 2.104062e-03 3.606226e-06 ; 0.345939  3.069050e-01     0.932592        0.000249      0.004451  1.097406e-02       False fibril_MD         4         6
-  CG_TTR_1  CE1_TTR_1     1 1.573496e-03 2.107435e-06 ; 0.332008  2.937088e-01     0.692458        0.000364      0.004451  1.097406e-02       False fibril_MD         4         7
-  CG_TTR_1  CE2_TTR_1     1 1.573496e-03 2.107435e-06 ; 0.332008  2.937088e-01     0.692458        0.000364      0.004451  1.097406e-02       False fibril_MD         4         8
-  CG_TTR_1   CZ_TTR_1     1 2.328230e-03 4.613082e-06 ; 0.354400  2.937654e-01     0.693343        0.000345      0.004451  1.097406e-02       False fibril_MD         4         9
-  CG_TTR_1   OH_TTR_1     1 8.835525e-04 1.314964e-06 ; 0.337894  1.484194e-01     0.195967        0.000405      0.004451  2.411251e-04       False fibril_MD         4        10
-  CG_TTR_1    C_TTR_1     1 2.537812e-03 1.711332e-05 ; 0.434656  9.408593e-02     0.007664        0.000011      0.004451  1.097406e-02       False fibril_MD         4        11
-  CG_TTR_1    O_TTR_1     1 1.757795e-03 5.661310e-06 ; 0.384289  1.364455e-01     0.070856        0.000027      0.004451  2.411251e-04       False fibril_MD         4        12
-  CG_TTR_1    N_TTR_2     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000022        0.000000      0.004451  2.411251e-04       False fibril_MD         4        13
-  CG_TTR_1   CA_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000066      0.004451  2.411251e-04       False fibril_MD         4        14
-  CG_TTR_1   CB_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000221      0.004451  2.411251e-04       False fibril_MD         4        15
-  CG_TTR_1  OG1_TTR_2     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000065      0.004451  2.411251e-04       False fibril_MD         4        16
-  CG_TTR_1  CG2_TTR_2     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000245      0.004451  2.411251e-04       False fibril_MD         4        17
-  CG_TTR_1    C_TTR_2     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000002      0.004451  2.411251e-04       False fibril_MD         4        18
-  CG_TTR_1    O_TTR_2     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000022      0.004451  2.411251e-04       False fibril_MD         4        19
-  CG_TTR_1    N_TTR_3     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD         4        20
-  CG_TTR_1   CA_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000044      0.004451  2.411251e-04       False fibril_MD         4        21
-  CG_TTR_1   CB_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000159      0.004451  2.411251e-04       False fibril_MD         4        22
-  CG_TTR_1  CG1_TTR_3     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000001        0.000123      0.004451  2.411251e-04       False fibril_MD         4        23
-  CG_TTR_1  CG2_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000176      0.004451  2.411251e-04       False fibril_MD         4        24
-  CG_TTR_1   CD_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.004047        0.000241      0.004451  2.411251e-04       False fibril_MD         4        25
-  CG_TTR_1    C_TTR_3     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000003      0.004451  2.411251e-04       False fibril_MD         4        26
-  CG_TTR_1    O_TTR_3     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000024      0.004451  2.411251e-04       False fibril_MD         4        27
+  CB_TTR_1  CA_TTR_10     1 7.709226e-03 1.819498e-04 ; 0.535579  8.166012e-02     0.005921        0.002386      0.004451  7.484532e-03       False fibril_MD         3        68
+  CB_TTR_1  CB_TTR_10     1 1.170850e-02 1.435086e-04 ; 0.480171  2.388165e-01     0.255664        0.002403      0.004451  8.238135e-03       False fibril_MD         3        69
+  CB_TTR_1  CG_TTR_10     1 6.657529e-03 4.025385e-05 ; 0.426824  2.752699e-01     0.583516        0.001546      0.004451  8.645089e-03       False fibril_MD         3        70
+  CB_TTR_1 CD1_TTR_10     1 3.294119e-03 8.970601e-06 ; 0.373692  3.024106e-01     0.739063        0.001989      0.004451  1.228558e-02       False fibril_MD         3        71
+  CB_TTR_1 CD2_TTR_10     1 3.294119e-03 8.970601e-06 ; 0.373692  3.024106e-01     0.739063        0.001989      0.004451  1.228558e-02       False fibril_MD         3        72
+  CB_TTR_1 CE1_TTR_10     1 2.378463e-03 4.456741e-06 ; 0.351118  3.173331e-01     0.861986        0.002350      0.004451  1.414612e-02       False fibril_MD         3        73
+  CB_TTR_1 CE2_TTR_10     1 2.378463e-03 4.456741e-06 ; 0.351118  3.173331e-01     0.861986        0.002350      0.004451  1.414612e-02       False fibril_MD         3        74
+  CB_TTR_1  CZ_TTR_10     1 2.644984e-03 5.388955e-06 ; 0.356052  3.245500e-01     0.911328        0.002492      0.004451  1.527833e-02       False fibril_MD         3        75
+  CB_TTR_1  OH_TTR_10     1 1.835171e-03 2.745606e-06 ; 0.338190  3.066586e-01     0.608884        0.002230      0.004451  1.566039e-02       False fibril_MD         3        76
+  CB_TTR_1  CA_TTR_11     1 1.729897e-02 2.745164e-04 ; 0.501293  2.725286e-01     0.549974        0.003142      0.004451  8.594744e-03       False fibril_MD         3        80
+  CB_TTR_1  CB_TTR_11     1 1.287902e-02 1.732838e-04 ; 0.487692  2.393029e-01     0.265014        0.002804      0.004451  8.005527e-03       False fibril_MD         3        81
+  CB_TTR_1  OG_TTR_11     1 3.254585e-03 1.337166e-05 ; 0.400204  1.980368e-01     0.085181        0.001636      0.004451  9.945580e-03       False fibril_MD         3        82
+  CB_TTR_1   C_TTR_11     1 6.369419e-03 3.401913e-05 ; 0.418091  2.981374e-01     0.856134        0.001696      0.004451  9.945448e-03       False fibril_MD         3        83
+  CB_TTR_1  O1_TTR_11     1 1.232302e-03 1.308634e-06 ; 0.319411  2.901054e-01     0.711405        0.001173      0.004451  9.945638e-03       False fibril_MD         3        84
+  CB_TTR_1  O2_TTR_11     1 1.232302e-03 1.308634e-06 ; 0.319411  2.901054e-01     0.711405        0.001173      0.004451  9.945638e-03       False fibril_MD         3        85
+  CG_TTR_1   CG_TTR_1     1 5.089159e-03 2.178648e-05 ; 0.402955  2.971974e-01     0.749160        0.000329      0.004451  1.097406e-02       False fibril_MD         4         4
+  CG_TTR_1  CD1_TTR_1     1 2.104062e-03 3.606226e-06 ; 0.345939  3.069050e-01     0.932592        0.000941      0.004451  1.097406e-02       False fibril_MD         4         5
+  CG_TTR_1  CD2_TTR_1     1 2.104062e-03 3.606226e-06 ; 0.345939  3.069050e-01     0.932592        0.000941      0.004451  1.097406e-02       False fibril_MD         4         6
+  CG_TTR_1  CE1_TTR_1     1 1.573496e-03 2.107435e-06 ; 0.332008  2.937088e-01     0.692458        0.001224      0.004451  1.097406e-02       False fibril_MD         4         7
+  CG_TTR_1  CE2_TTR_1     1 1.573496e-03 2.107435e-06 ; 0.332008  2.937088e-01     0.692458        0.001224      0.004451  1.097406e-02       False fibril_MD         4         8
+  CG_TTR_1   CZ_TTR_1     1 2.328230e-03 4.613082e-06 ; 0.354400  2.937654e-01     0.693343        0.001057      0.004451  1.097406e-02       False fibril_MD         4         9
+  CG_TTR_1   OH_TTR_1     1 7.332747e-04 1.091310e-06 ; 0.337894  1.231757e-01     0.195967        0.001159      0.004451  2.411251e-04       False fibril_MD         4        10
+  CG_TTR_1    C_TTR_1     1 2.537812e-03 1.711332e-05 ; 0.434656  9.408593e-02     0.007664        0.000508      0.004451  1.097406e-02       False fibril_MD         4        11
+  CG_TTR_1    O_TTR_1     1 1.369923e-03 4.412095e-06 ; 0.384289  1.063377e-01     0.070856        0.000845      0.004451  2.411251e-04       False fibril_MD         4        12
+  CG_TTR_1    N_TTR_2     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000022        0.000138      0.004451  2.411251e-04       False fibril_MD         4        13
+  CG_TTR_1   CA_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.001170      0.004451  2.411251e-04       False fibril_MD         4        14
+  CG_TTR_1   CB_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.002230      0.004451  2.411251e-04       False fibril_MD         4        15
+  CG_TTR_1  OG1_TTR_2     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000904      0.004451  2.411251e-04       False fibril_MD         4        16
+  CG_TTR_1  CG2_TTR_2     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.001795      0.004451  2.411251e-04       False fibril_MD         4        17
+  CG_TTR_1    C_TTR_2     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000239      0.004451  2.411251e-04       False fibril_MD         4        18
+  CG_TTR_1    O_TTR_2     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000525      0.004451  2.411251e-04       False fibril_MD         4        19
+  CG_TTR_1    N_TTR_3     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000081      0.004451  2.411251e-04       False fibril_MD         4        20
+  CG_TTR_1   CA_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.001032      0.004451  2.411251e-04       False fibril_MD         4        21
+  CG_TTR_1   CB_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.001527      0.004451  2.411251e-04       False fibril_MD         4        22
+  CG_TTR_1  CG1_TTR_3     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000001        0.001436      0.004451  2.411251e-04       False fibril_MD         4        23
+  CG_TTR_1  CG2_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.001643      0.004451  2.411251e-04       False fibril_MD         4        24
+  CG_TTR_1   CD_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.004047        0.002067      0.004451  2.411251e-04       False fibril_MD         4        25
+  CG_TTR_1    C_TTR_3     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000302      0.004451  2.411251e-04       False fibril_MD         4        26
+  CG_TTR_1    O_TTR_3     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000561      0.004451  2.411251e-04       False fibril_MD         4        27
   CG_TTR_1   CA_TTR_5     1 1.156253e-03 3.133850e-06 ; 0.373397  1.066517e-01     0.009027        0.003015      0.001408  6.281093e-03        True native_MD         4        34
   CG_TTR_1   CB_TTR_5     1 1.196528e-03 2.849726e-06 ; 0.365438  1.255979e-01     0.019096        0.004364      0.001408  9.186744e-03        True native_MD         4        35
   CG_TTR_1    C_TTR_5     1 6.471560e-04 1.065859e-06 ; 0.343649  9.823318e-02     0.005291        0.000336      0.001408  9.187454e-03        True native_MD         4        36
@@ -249,46 +249,46 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
   CG_TTR_1  CD2_TTR_7     1 7.576156e-04 1.150616e-06 ; 0.339037  1.247118e-01     0.018319        0.005143      0.001408  9.186744e-03        True native_MD         4        51
   CG_TTR_1   CA_TTR_8     1 9.160051e-04 2.618915e-06 ; 0.376736  8.009664e-02     0.002349        0.002382      0.001408  6.281093e-03        True native_MD         4        55
   CG_TTR_1   CB_TTR_8     1 6.116751e-04 1.134198e-06 ; 0.350505  8.246936e-02     0.002583        0.004093      0.001408  7.688303e-03        True native_MD         4        56
-  CG_TTR_1   CB_TTR_9     1 5.472754e-03 4.680423e-05 ; 0.452217  1.599804e-01     0.035428        0.001438      0.004451  9.944620e-03       False fibril_MD         4        62
-  CG_TTR_1   CG_TTR_9     1 5.427363e-03 4.374047e-05 ; 0.447764  1.683582e-01     0.042976        0.001968      0.004451  9.944620e-03       False fibril_MD         4        63
-  CG_TTR_1  CA_TTR_10     1 7.710254e-03 1.104000e-04 ; 0.492777  1.346196e-01     0.021784        0.000994      0.004451  7.335270e-03       False fibril_MD         4        68
-  CG_TTR_1  CB_TTR_10     1 6.170418e-03 3.376326e-05 ; 0.419780  2.819193e-01     0.615922        0.001218      0.004451  9.535753e-03       False fibril_MD         4        69
-  CG_TTR_1  CG_TTR_10     1 3.770635e-03 1.216940e-05 ; 0.384423  2.920786e-01     0.762094        0.000655      0.004451  9.738765e-03       False fibril_MD         4        70
-  CG_TTR_1 CD1_TTR_10     1 1.760489e-03 2.574450e-06 ; 0.336906  3.009694e-01     0.735662        0.000885      0.004451  1.200074e-02       False fibril_MD         4        71
-  CG_TTR_1 CD2_TTR_10     1 1.760489e-03 2.574450e-06 ; 0.336906  3.009694e-01     0.735662        0.000885      0.004451  1.200074e-02       False fibril_MD         4        72
-  CG_TTR_1 CE1_TTR_10     1 1.904261e-03 2.942770e-06 ; 0.340020  3.080609e-01     0.741274        0.001184      0.004451  1.360357e-02       False fibril_MD         4        73
-  CG_TTR_1 CE2_TTR_10     1 1.904261e-03 2.942770e-06 ; 0.340020  3.080609e-01     0.741274        0.001184      0.004451  1.360357e-02       False fibril_MD         4        74
-  CG_TTR_1  CZ_TTR_10     1 3.219818e-03 8.515001e-06 ; 0.371871  3.043813e-01     0.671930        0.001284      0.004451  1.382773e-02       False fibril_MD         4        75
-  CG_TTR_1  OH_TTR_10     1 1.952950e-03 4.323850e-06 ; 0.361019  2.205218e-01     0.110347        0.001394      0.004451  1.404023e-02       False fibril_MD         4        76
-  CG_TTR_1  CA_TTR_11     1 1.106913e-02 1.074780e-04 ; 0.461886  2.850015e-01     0.720616        0.001595      0.004451  8.808490e-03       False fibril_MD         4        80
-  CG_TTR_1  CB_TTR_11     1 7.514007e-03 5.183071e-05 ; 0.436301  2.723303e-01     0.550411        0.001642      0.004451  8.548062e-03       False fibril_MD         4        81
-  CG_TTR_1  OG_TTR_11     1 1.839752e-03 4.004066e-06 ; 0.359990  2.113282e-01     0.107947        0.000756      0.004451  1.097420e-02       False fibril_MD         4        82
-  CG_TTR_1   C_TTR_11     1 3.438806e-03 1.044619e-05 ; 0.380562  2.830073e-01     0.840832        0.000908      0.004451  7.290344e-03       False fibril_MD         4        83
-  CG_TTR_1  O1_TTR_11     1 7.653262e-04 5.006657e-07 ; 0.294634  2.924727e-01     0.673399        0.000676      0.004451  1.097427e-02       False fibril_MD         4        84
-  CG_TTR_1  O2_TTR_11     1 7.653262e-04 5.006657e-07 ; 0.294634  2.924727e-01     0.673399        0.000676      0.004451  1.097427e-02       False fibril_MD         4        85
- CD1_TTR_1  CD1_TTR_1     1 1.115018e-03 1.007008e-06 ; 0.310903  3.086534e-01     0.970115        0.000474      0.004451  1.097406e-02       False fibril_MD         5         5
- CD1_TTR_1  CD2_TTR_1     1 1.115018e-03 1.007008e-06 ; 0.310903  3.086534e-01     0.970115        0.000474      0.004451  1.097406e-02       False fibril_MD         5         6
- CD1_TTR_1  CE1_TTR_1     1 8.206168e-04 5.508055e-07 ; 0.295899  3.056487e-01     0.906530        0.000650      0.004451  1.097406e-02       False fibril_MD         5         7
- CD1_TTR_1  CE2_TTR_1     1 8.206168e-04 5.508055e-07 ; 0.295899  3.056487e-01     0.906530        0.000650      0.004451  1.097406e-02       False fibril_MD         5         8
- CD1_TTR_1   CZ_TTR_1     1 1.381505e-03 1.566433e-06 ; 0.322919  3.046024e-01     0.885381        0.000672      0.004451  1.097406e-02       False fibril_MD         5         9
- CD1_TTR_1   OH_TTR_1     1 9.274213e-04 8.384907e-07 ; 0.310959  2.564460e-01     0.298731        0.000690      0.004451  1.097420e-02       False fibril_MD         5        10
- CD1_TTR_1    C_TTR_1     1 2.958638e-03 1.754697e-05 ; 0.425453  1.247158e-01     0.043471        0.000054      0.004451  2.411251e-04       False fibril_MD         5        11
- CD1_TTR_1    O_TTR_1     1 1.217665e-03 2.616833e-06 ; 0.359232  1.416510e-01     0.088011        0.000097      0.004451  2.411251e-04       False fibril_MD         5        12
- CD1_TTR_1    N_TTR_2     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000126        0.000023      0.004451  2.411251e-04       False fibril_MD         5        13
- CD1_TTR_1   CA_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000011        0.000173      0.004451  2.411251e-04       False fibril_MD         5        14
- CD1_TTR_1   CB_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000426      0.004451  2.411251e-04       False fibril_MD         5        15
- CD1_TTR_1  OG1_TTR_2     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000162      0.004451  2.411251e-04       False fibril_MD         5        16
- CD1_TTR_1  CG2_TTR_2     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000463      0.004451  2.411251e-04       False fibril_MD         5        17
- CD1_TTR_1    C_TTR_2     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000043      0.004451  2.411251e-04       False fibril_MD         5        18
- CD1_TTR_1    O_TTR_2     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000066      0.004451  2.411251e-04       False fibril_MD         5        19
- CD1_TTR_1    N_TTR_3     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000018      0.004451  2.411251e-04       False fibril_MD         5        20
- CD1_TTR_1   CA_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000155      0.004451  2.411251e-04       False fibril_MD         5        21
- CD1_TTR_1   CB_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000036        0.000306      0.004451  2.411251e-04       False fibril_MD         5        22
- CD1_TTR_1  CG1_TTR_3     1 3.063494e-03 2.471335e-05 ; 0.447836  9.493856e-02     0.013509        0.000259      0.004451  2.411251e-04       False fibril_MD         5        23
- CD1_TTR_1  CG2_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000332      0.004451  2.411251e-04       False fibril_MD         5        24
- CD1_TTR_1   CD_TTR_3     1 1.264053e-03 4.306217e-06 ; 0.387902  9.276304e-02     0.020771        0.000436      0.004451  2.411251e-04       False fibril_MD         5        25
- CD1_TTR_1    C_TTR_3     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000097      0.004451  2.411251e-04       False fibril_MD         5        26
- CD1_TTR_1    O_TTR_3     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000092      0.004451  2.411251e-04       False fibril_MD         5        27
+  CG_TTR_1   CB_TTR_9     1 5.472754e-03 4.680423e-05 ; 0.452217  1.599804e-01     0.035428        0.001842      0.004451  9.944620e-03       False fibril_MD         4        62
+  CG_TTR_1   CG_TTR_9     1 5.427363e-03 4.374047e-05 ; 0.447764  1.683582e-01     0.042976        0.002395      0.004451  9.944620e-03       False fibril_MD         4        63
+  CG_TTR_1  CA_TTR_10     1 7.710254e-03 1.104000e-04 ; 0.492777  1.346196e-01     0.021784        0.001456      0.004451  7.335270e-03       False fibril_MD         4        68
+  CG_TTR_1  CB_TTR_10     1 6.170418e-03 3.376326e-05 ; 0.419780  2.819193e-01     0.615922        0.001650      0.004451  9.535753e-03       False fibril_MD         4        69
+  CG_TTR_1  CG_TTR_10     1 3.770635e-03 1.216940e-05 ; 0.384423  2.920786e-01     0.762094        0.000893      0.004451  9.738765e-03       False fibril_MD         4        70
+  CG_TTR_1 CD1_TTR_10     1 1.760489e-03 2.574450e-06 ; 0.336906  3.009694e-01     0.735662        0.001331      0.004451  1.200074e-02       False fibril_MD         4        71
+  CG_TTR_1 CD2_TTR_10     1 1.760489e-03 2.574450e-06 ; 0.336906  3.009694e-01     0.735662        0.001331      0.004451  1.200074e-02       False fibril_MD         4        72
+  CG_TTR_1 CE1_TTR_10     1 1.904261e-03 2.942770e-06 ; 0.340020  3.080609e-01     0.741274        0.001629      0.004451  1.360357e-02       False fibril_MD         4        73
+  CG_TTR_1 CE2_TTR_10     1 1.904261e-03 2.942770e-06 ; 0.340020  3.080609e-01     0.741274        0.001629      0.004451  1.360357e-02       False fibril_MD         4        74
+  CG_TTR_1  CZ_TTR_10     1 3.219818e-03 8.515001e-06 ; 0.371871  3.043813e-01     0.671930        0.001613      0.004451  1.382773e-02       False fibril_MD         4        75
+  CG_TTR_1  OH_TTR_10     1 1.952950e-03 4.323850e-06 ; 0.361019  2.205218e-01     0.110347        0.001448      0.004451  1.404023e-02       False fibril_MD         4        76
+  CG_TTR_1  CA_TTR_11     1 1.106913e-02 1.074780e-04 ; 0.461886  2.850015e-01     0.720616        0.002068      0.004451  8.808490e-03       False fibril_MD         4        80
+  CG_TTR_1  CB_TTR_11     1 7.514007e-03 5.183071e-05 ; 0.436301  2.723303e-01     0.550411        0.001888      0.004451  8.548062e-03       False fibril_MD         4        81
+  CG_TTR_1  OG_TTR_11     1 1.839752e-03 4.004066e-06 ; 0.359990  2.113282e-01     0.107947        0.001043      0.004451  1.097420e-02       False fibril_MD         4        82
+  CG_TTR_1   C_TTR_11     1 3.438806e-03 1.044619e-05 ; 0.380562  2.830073e-01     0.840832        0.001145      0.004451  7.290344e-03       False fibril_MD         4        83
+  CG_TTR_1  O1_TTR_11     1 7.653262e-04 5.006657e-07 ; 0.294634  2.924727e-01     0.673399        0.000883      0.004451  1.097427e-02       False fibril_MD         4        84
+  CG_TTR_1  O2_TTR_11     1 7.653262e-04 5.006657e-07 ; 0.294634  2.924727e-01     0.673399        0.000883      0.004451  1.097427e-02       False fibril_MD         4        85
+ CD1_TTR_1  CD1_TTR_1     1 1.115018e-03 1.007008e-06 ; 0.310903  3.086534e-01     0.970115        0.001481      0.004451  1.097406e-02       False fibril_MD         5         5
+ CD1_TTR_1  CD2_TTR_1     1 1.115018e-03 1.007008e-06 ; 0.310903  3.086534e-01     0.970115        0.001481      0.004451  1.097406e-02       False fibril_MD         5         6
+ CD1_TTR_1  CE1_TTR_1     1 8.206168e-04 5.508055e-07 ; 0.295899  3.056487e-01     0.906530        0.001745      0.004451  1.097406e-02       False fibril_MD         5         7
+ CD1_TTR_1  CE2_TTR_1     1 8.206168e-04 5.508055e-07 ; 0.295899  3.056487e-01     0.906530        0.001745      0.004451  1.097406e-02       False fibril_MD         5         8
+ CD1_TTR_1   CZ_TTR_1     1 1.381505e-03 1.566433e-06 ; 0.322919  3.046024e-01     0.885381        0.001582      0.004451  1.097406e-02       False fibril_MD         5         9
+ CD1_TTR_1   OH_TTR_1     1 9.274213e-04 8.384907e-07 ; 0.310959  2.564460e-01     0.298731        0.001434      0.004451  1.097420e-02       False fibril_MD         5        10
+ CD1_TTR_1    C_TTR_1     1 2.163467e-03 1.283100e-05 ; 0.425453  9.119686e-02     0.043471        0.000974      0.004451  2.411251e-04       False fibril_MD         5        11
+ CD1_TTR_1    O_TTR_1     1 9.185929e-04 1.974110e-06 ; 0.359232  1.068599e-01     0.088011        0.001027      0.004451  2.411251e-04       False fibril_MD         5        12
+ CD1_TTR_1    N_TTR_2     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000126        0.000392      0.004451  2.411251e-04       False fibril_MD         5        13
+ CD1_TTR_1   CA_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000011        0.001732      0.004451  2.411251e-04       False fibril_MD         5        14
+ CD1_TTR_1   CB_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.002671      0.004451  2.411251e-04       False fibril_MD         5        15
+ CD1_TTR_1  OG1_TTR_2     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.001215      0.004451  2.411251e-04       False fibril_MD         5        16
+ CD1_TTR_1  CG2_TTR_2     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.002184      0.004451  2.411251e-04       False fibril_MD         5        17
+ CD1_TTR_1    C_TTR_2     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000508      0.004451  2.411251e-04       False fibril_MD         5        18
+ CD1_TTR_1    O_TTR_2     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000672      0.004451  2.411251e-04       False fibril_MD         5        19
+ CD1_TTR_1    N_TTR_3     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000245      0.004451  2.411251e-04       False fibril_MD         5        20
+ CD1_TTR_1   CA_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.001579      0.004451  2.411251e-04       False fibril_MD         5        21
+ CD1_TTR_1   CB_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000036        0.002245      0.004451  2.411251e-04       False fibril_MD         5        22
+ CD1_TTR_1  CG1_TTR_3     1 0.000000e+00 1.266792e-04 ; 0.473397 -1.266792e-04     0.006311        0.001913      0.004451  2.411251e-04       False fibril_MD         5        23
+ CD1_TTR_1  CG2_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.002030      0.004451  2.411251e-04       False fibril_MD         5        24
+ CD1_TTR_1   CD_TTR_3     1 1.176814e-03 4.362963e-06 ; 0.393410  7.935502e-02     0.065574        0.002406      0.004451  2.411251e-04       False fibril_MD         5        25
+ CD1_TTR_1    C_TTR_3     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000657      0.004451  2.411251e-04       False fibril_MD         5        26
+ CD1_TTR_1    O_TTR_3     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000803      0.004451  2.411251e-04       False fibril_MD         5        27
  CD1_TTR_1    N_TTR_4     1 3.695708e-04 4.875659e-07 ; 0.331174  7.003287e-02     0.001410        0.001475      0.001408  9.187586e-03        True native_MD         5        28
  CD1_TTR_1   CA_TTR_5     1 1.021648e-03 2.248809e-06 ; 0.360669  1.160353e-01     0.014527        0.003185      0.001408  6.281093e-03        True native_MD         5        34
  CD1_TTR_1   CB_TTR_5     1 7.409792e-04 1.139870e-06 ; 0.339762  1.204195e-01     0.014979        0.004314      0.001408  9.186744e-03        True native_MD         5        35
@@ -307,46 +307,46 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
  CD1_TTR_1   CA_TTR_8     1 6.169661e-04 1.082787e-06 ; 0.347307  8.788599e-02     0.003486        0.003211      0.001408  6.281093e-03        True native_MD         5        55
  CD1_TTR_1   CB_TTR_8     1 4.904484e-04 7.075436e-07 ; 0.336145  8.499109e-02     0.002920        0.004123      0.001408  7.688303e-03        True native_MD         5        56
  CD1_TTR_1   OG_TTR_8     1 1.574057e-04 8.487479e-08 ; 0.285294  7.297968e-02     0.001619        0.002405      0.001408  9.187671e-03        True native_MD         5        57
- CD1_TTR_1   CB_TTR_9     1 5.628755e-03 3.373582e-05 ; 0.426200  2.347867e-01     0.198752        0.001805      0.004451  9.944620e-03       False fibril_MD         5        62
- CD1_TTR_1   CG_TTR_9     1 5.275778e-03 3.043134e-05 ; 0.423486  2.286609e-01     0.191446        0.002218      0.004451  8.725300e-03       False fibril_MD         5        63
+ CD1_TTR_1   CB_TTR_9     1 5.628755e-03 3.373582e-05 ; 0.426200  2.347867e-01     0.198752        0.002272      0.004451  9.944620e-03       False fibril_MD         5        62
+ CD1_TTR_1   CG_TTR_9     1 5.275778e-03 3.043134e-05 ; 0.423486  2.286609e-01     0.191446        0.002702      0.004451  8.725300e-03       False fibril_MD         5        63
  CD1_TTR_1   CD_TTR_9     1 4.473184e-04 6.151124e-07 ; 0.333470  8.132407e-02     0.002443        0.003293      0.001408  7.687126e-03        True native_MD         5        64
- CD1_TTR_1  CA_TTR_10     1 8.114720e-03 6.272369e-05 ; 0.444658  2.624554e-01     0.426973        0.001464      0.004451  8.716880e-03       False fibril_MD         5        68
- CD1_TTR_1  CB_TTR_10     1 2.785776e-03 6.321636e-06 ; 0.362505  3.069042e-01     0.982452        0.001393      0.004451  1.050182e-02       False fibril_MD         5        69
- CD1_TTR_1  CG_TTR_10     1 1.798328e-03 2.687891e-06 ; 0.338135  3.007919e-01     0.979255        0.000922      0.004451  9.334397e-03       False fibril_MD         5        70
- CD1_TTR_1 CD1_TTR_10     1 1.231133e-03 1.259079e-06 ; 0.317413  3.009520e-01     0.926201        0.001156      0.004451  9.827469e-03       False fibril_MD         5        71
- CD1_TTR_1 CD2_TTR_10     1 1.231133e-03 1.259079e-06 ; 0.317413  3.009520e-01     0.926201        0.001156      0.004451  9.827469e-03       False fibril_MD         5        72
- CD1_TTR_1 CE1_TTR_10     1 1.236602e-03 1.450487e-06 ; 0.324749  2.635640e-01     0.331112        0.001654      0.004451  1.164808e-02       False fibril_MD         5        73
- CD1_TTR_1 CE2_TTR_10     1 1.236602e-03 1.450487e-06 ; 0.324749  2.635640e-01     0.331112        0.001654      0.004451  1.164808e-02       False fibril_MD         5        74
- CD1_TTR_1  CZ_TTR_10     1 2.662838e-03 5.790884e-06 ; 0.359943  3.061150e-01     0.711095        0.001541      0.004451  1.360073e-02       False fibril_MD         5        75
- CD1_TTR_1  OH_TTR_10     1 1.539972e-03 3.113021e-06 ; 0.355586  1.904511e-01     0.060982        0.001403      0.004451  1.295751e-02       False fibril_MD         5        76
- CD1_TTR_1  CA_TTR_11     1 4.789185e-03 1.971348e-05 ; 0.400329  2.908707e-01     0.858651        0.002288      0.004451  8.522972e-03       False fibril_MD         5        80
- CD1_TTR_1  CB_TTR_11     1 3.250814e-03 9.566296e-06 ; 0.378552  2.761725e-01     0.581899        0.001896      0.004451  8.850573e-03       False fibril_MD         5        81
- CD1_TTR_1  OG_TTR_11     1 8.661466e-04 7.556627e-07 ; 0.309117  2.481960e-01     0.247997        0.001072      0.004451  1.097420e-02       False fibril_MD         5        82
- CD1_TTR_1   C_TTR_11     1 1.475375e-03 1.880705e-06 ; 0.329283  2.893506e-01     0.891839        0.001387      0.004451  7.965869e-03       False fibril_MD         5        83
- CD1_TTR_1  O1_TTR_11     1 4.813816e-04 2.085747e-07 ; 0.275082  2.777521e-01     0.746981        0.000893      0.004451  7.213836e-03       False fibril_MD         5        84
- CD1_TTR_1  O2_TTR_11     1 4.813816e-04 2.085747e-07 ; 0.275082  2.777521e-01     0.746981        0.000893      0.004451  7.213836e-03       False fibril_MD         5        85
- CD2_TTR_1  CD2_TTR_1     1 1.115018e-03 1.007008e-06 ; 0.310903  3.086534e-01     0.970115        0.000474      0.004451  1.097406e-02       False fibril_MD         6         6
- CD2_TTR_1  CE1_TTR_1     1 8.206168e-04 5.508055e-07 ; 0.295899  3.056487e-01     0.906530        0.000650      0.004451  1.097406e-02       False fibril_MD         6         7
- CD2_TTR_1  CE2_TTR_1     1 8.206168e-04 5.508055e-07 ; 0.295899  3.056487e-01     0.906530        0.000650      0.004451  1.097406e-02       False fibril_MD         6         8
- CD2_TTR_1   CZ_TTR_1     1 1.381505e-03 1.566433e-06 ; 0.322919  3.046024e-01     0.885381        0.000672      0.004451  1.097406e-02       False fibril_MD         6         9
- CD2_TTR_1   OH_TTR_1     1 9.274213e-04 8.384907e-07 ; 0.310959  2.564460e-01     0.298731        0.000690      0.004451  1.097420e-02       False fibril_MD         6        10
- CD2_TTR_1    C_TTR_1     1 2.958638e-03 1.754697e-05 ; 0.425453  1.247158e-01     0.043471        0.000054      0.004451  2.411251e-04       False fibril_MD         6        11
- CD2_TTR_1    O_TTR_1     1 1.217665e-03 2.616833e-06 ; 0.359232  1.416510e-01     0.088011        0.000097      0.004451  2.411251e-04       False fibril_MD         6        12
- CD2_TTR_1    N_TTR_2     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000395        0.000032      0.004451  2.411251e-04       False fibril_MD         6        13
- CD2_TTR_1   CA_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000029        0.000132      0.004451  2.411251e-04       False fibril_MD         6        14
- CD2_TTR_1   CB_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000383      0.004451  2.411251e-04       False fibril_MD         6        15
- CD2_TTR_1  OG1_TTR_2     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000157      0.004451  2.411251e-04       False fibril_MD         6        16
- CD2_TTR_1  CG2_TTR_2     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000378      0.004451  2.411251e-04       False fibril_MD         6        17
- CD2_TTR_1    C_TTR_2     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000006      0.004451  2.411251e-04       False fibril_MD         6        18
- CD2_TTR_1    O_TTR_2     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000021      0.004451  2.411251e-04       False fibril_MD         6        19
- CD2_TTR_1    N_TTR_3     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000010      0.004451  2.411251e-04       False fibril_MD         6        20
- CD2_TTR_1   CA_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000105      0.004451  2.411251e-04       False fibril_MD         6        21
- CD2_TTR_1   CB_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000099        0.000254      0.004451  2.411251e-04       False fibril_MD         6        22
- CD2_TTR_1  CG1_TTR_3     1 3.063494e-03 2.471335e-05 ; 0.447836  9.493856e-02     0.013509        0.000259      0.004451  2.411251e-04       False fibril_MD         6        23
- CD2_TTR_1  CG2_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000152        0.000346      0.004451  2.411251e-04       False fibril_MD         6        24
- CD2_TTR_1   CD_TTR_3     1 1.264053e-03 4.306217e-06 ; 0.387902  9.276304e-02     0.020771        0.000436      0.004451  2.411251e-04       False fibril_MD         6        25
- CD2_TTR_1    C_TTR_3     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000020      0.004451  2.411251e-04       False fibril_MD         6        26
- CD2_TTR_1    O_TTR_3     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000083      0.004451  2.411251e-04       False fibril_MD         6        27
+ CD1_TTR_1  CA_TTR_10     1 8.114720e-03 6.272369e-05 ; 0.444658  2.624554e-01     0.426973        0.002056      0.004451  8.716880e-03       False fibril_MD         5        68
+ CD1_TTR_1  CB_TTR_10     1 2.785776e-03 6.321636e-06 ; 0.362505  3.069042e-01     0.982452        0.002023      0.004451  1.050182e-02       False fibril_MD         5        69
+ CD1_TTR_1  CG_TTR_10     1 1.798328e-03 2.687891e-06 ; 0.338135  3.007919e-01     0.979255        0.001325      0.004451  9.334397e-03       False fibril_MD         5        70
+ CD1_TTR_1 CD1_TTR_10     1 1.231133e-03 1.259079e-06 ; 0.317413  3.009520e-01     0.926201        0.001695      0.004451  9.827469e-03       False fibril_MD         5        71
+ CD1_TTR_1 CD2_TTR_10     1 1.231133e-03 1.259079e-06 ; 0.317413  3.009520e-01     0.926201        0.001695      0.004451  9.827469e-03       False fibril_MD         5        72
+ CD1_TTR_1 CE1_TTR_10     1 1.236602e-03 1.450487e-06 ; 0.324749  2.635640e-01     0.331112        0.001889      0.004451  1.164808e-02       False fibril_MD         5        73
+ CD1_TTR_1 CE2_TTR_10     1 1.236602e-03 1.450487e-06 ; 0.324749  2.635640e-01     0.331112        0.001889      0.004451  1.164808e-02       False fibril_MD         5        74
+ CD1_TTR_1  CZ_TTR_10     1 2.662838e-03 5.790884e-06 ; 0.359943  3.061150e-01     0.711095        0.001931      0.004451  1.360073e-02       False fibril_MD         5        75
+ CD1_TTR_1  OH_TTR_10     1 1.539972e-03 3.113021e-06 ; 0.355586  1.904511e-01     0.060982        0.001724      0.004451  1.295751e-02       False fibril_MD         5        76
+ CD1_TTR_1  CA_TTR_11     1 4.789185e-03 1.971348e-05 ; 0.400329  2.908707e-01     0.858651        0.002758      0.004451  8.522972e-03       False fibril_MD         5        80
+ CD1_TTR_1  CB_TTR_11     1 3.250814e-03 9.566296e-06 ; 0.378552  2.761725e-01     0.581899        0.002402      0.004451  8.850573e-03       False fibril_MD         5        81
+ CD1_TTR_1  OG_TTR_11     1 8.661466e-04 7.556627e-07 ; 0.309117  2.481960e-01     0.247997        0.001372      0.004451  1.097420e-02       False fibril_MD         5        82
+ CD1_TTR_1   C_TTR_11     1 1.475375e-03 1.880705e-06 ; 0.329283  2.893506e-01     0.891839        0.001676      0.004451  7.965869e-03       False fibril_MD         5        83
+ CD1_TTR_1  O1_TTR_11     1 4.813816e-04 2.085747e-07 ; 0.275082  2.777521e-01     0.746981        0.001185      0.004451  7.213836e-03       False fibril_MD         5        84
+ CD1_TTR_1  O2_TTR_11     1 4.813816e-04 2.085747e-07 ; 0.275082  2.777521e-01     0.746981        0.001185      0.004451  7.213836e-03       False fibril_MD         5        85
+ CD2_TTR_1  CD2_TTR_1     1 1.115018e-03 1.007008e-06 ; 0.310903  3.086534e-01     0.970115        0.001481      0.004451  1.097406e-02       False fibril_MD         6         6
+ CD2_TTR_1  CE1_TTR_1     1 8.206168e-04 5.508055e-07 ; 0.295899  3.056487e-01     0.906530        0.001745      0.004451  1.097406e-02       False fibril_MD         6         7
+ CD2_TTR_1  CE2_TTR_1     1 8.206168e-04 5.508055e-07 ; 0.295899  3.056487e-01     0.906530        0.001745      0.004451  1.097406e-02       False fibril_MD         6         8
+ CD2_TTR_1   CZ_TTR_1     1 1.381505e-03 1.566433e-06 ; 0.322919  3.046024e-01     0.885381        0.001582      0.004451  1.097406e-02       False fibril_MD         6         9
+ CD2_TTR_1   OH_TTR_1     1 9.274213e-04 8.384907e-07 ; 0.310959  2.564460e-01     0.298731        0.001434      0.004451  1.097420e-02       False fibril_MD         6        10
+ CD2_TTR_1    C_TTR_1     1 2.163467e-03 1.283100e-05 ; 0.425453  9.119686e-02     0.043471        0.000974      0.004451  2.411251e-04       False fibril_MD         6        11
+ CD2_TTR_1    O_TTR_1     1 9.185929e-04 1.974110e-06 ; 0.359232  1.068599e-01     0.088011        0.001027      0.004451  2.411251e-04       False fibril_MD         6        12
+ CD2_TTR_1    N_TTR_2     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000395        0.000394      0.004451  2.411251e-04       False fibril_MD         6        13
+ CD2_TTR_1   CA_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000029        0.001858      0.004451  2.411251e-04       False fibril_MD         6        14
+ CD2_TTR_1   CB_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.002731      0.004451  2.411251e-04       False fibril_MD         6        15
+ CD2_TTR_1  OG1_TTR_2     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.001166      0.004451  2.411251e-04       False fibril_MD         6        16
+ CD2_TTR_1  CG2_TTR_2     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.002326      0.004451  2.411251e-04       False fibril_MD         6        17
+ CD2_TTR_1    C_TTR_2     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000498      0.004451  2.411251e-04       False fibril_MD         6        18
+ CD2_TTR_1    O_TTR_2     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000684      0.004451  2.411251e-04       False fibril_MD         6        19
+ CD2_TTR_1    N_TTR_3     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000269      0.004451  2.411251e-04       False fibril_MD         6        20
+ CD2_TTR_1   CA_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.001617      0.004451  2.411251e-04       False fibril_MD         6        21
+ CD2_TTR_1   CB_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000099        0.002334      0.004451  2.411251e-04       False fibril_MD         6        22
+ CD2_TTR_1  CG1_TTR_3     1 0.000000e+00 1.266792e-04 ; 0.473397 -1.266792e-04     0.013509        0.001964      0.004451  2.411251e-04       False fibril_MD         6        23
+ CD2_TTR_1  CG2_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000152        0.002059      0.004451  2.411251e-04       False fibril_MD         6        24
+ CD2_TTR_1   CD_TTR_3     1 1.176814e-03 4.362963e-06 ; 0.393410  7.935502e-02     0.065574        0.002406      0.004451  2.411251e-04       False fibril_MD         6        25
+ CD2_TTR_1    C_TTR_3     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000615      0.004451  2.411251e-04       False fibril_MD         6        26
+ CD2_TTR_1    O_TTR_3     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000752      0.004451  2.411251e-04       False fibril_MD         6        27
  CD2_TTR_1    N_TTR_4     1 3.695708e-04 4.875659e-07 ; 0.331174  7.003287e-02     0.001410        0.001475      0.001408  9.187586e-03        True native_MD         6        28
  CD2_TTR_1   CA_TTR_5     1 1.021648e-03 2.248809e-06 ; 0.360669  1.160353e-01     0.014527        0.003185      0.001408  6.281093e-03        True native_MD         6        34
  CD2_TTR_1   CB_TTR_5     1 7.409792e-04 1.139870e-06 ; 0.339762  1.204195e-01     0.014979        0.004314      0.001408  9.186744e-03        True native_MD         6        35
@@ -365,45 +365,45 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
  CD2_TTR_1   CA_TTR_8     1 6.169661e-04 1.082787e-06 ; 0.347307  8.788599e-02     0.003486        0.003211      0.001408  6.281093e-03        True native_MD         6        55
  CD2_TTR_1   CB_TTR_8     1 4.904484e-04 7.075436e-07 ; 0.336145  8.499109e-02     0.002920        0.004123      0.001408  7.688303e-03        True native_MD         6        56
  CD2_TTR_1   OG_TTR_8     1 1.574057e-04 8.487479e-08 ; 0.285294  7.297968e-02     0.001619        0.002405      0.001408  9.187671e-03        True native_MD         6        57
- CD2_TTR_1   CB_TTR_9     1 5.628755e-03 3.373582e-05 ; 0.426200  2.347867e-01     0.198752        0.001805      0.004451  9.944620e-03       False fibril_MD         6        62
- CD2_TTR_1   CG_TTR_9     1 5.275778e-03 3.043134e-05 ; 0.423486  2.286609e-01     0.191446        0.002218      0.004451  8.725300e-03       False fibril_MD         6        63
+ CD2_TTR_1   CB_TTR_9     1 5.628755e-03 3.373582e-05 ; 0.426200  2.347867e-01     0.198752        0.002272      0.004451  9.944620e-03       False fibril_MD         6        62
+ CD2_TTR_1   CG_TTR_9     1 5.275778e-03 3.043134e-05 ; 0.423486  2.286609e-01     0.191446        0.002702      0.004451  8.725300e-03       False fibril_MD         6        63
  CD2_TTR_1   CD_TTR_9     1 4.473184e-04 6.151124e-07 ; 0.333470  8.132407e-02     0.002443        0.003293      0.001408  7.687126e-03        True native_MD         6        64
- CD2_TTR_1  CA_TTR_10     1 8.114720e-03 6.272369e-05 ; 0.444658  2.624554e-01     0.426973        0.001464      0.004451  8.716880e-03       False fibril_MD         6        68
- CD2_TTR_1  CB_TTR_10     1 2.785776e-03 6.321636e-06 ; 0.362505  3.069042e-01     0.982452        0.001393      0.004451  1.050182e-02       False fibril_MD         6        69
- CD2_TTR_1  CG_TTR_10     1 1.798328e-03 2.687891e-06 ; 0.338135  3.007919e-01     0.979255        0.000922      0.004451  9.334397e-03       False fibril_MD         6        70
- CD2_TTR_1 CD1_TTR_10     1 1.231133e-03 1.259079e-06 ; 0.317413  3.009520e-01     0.926201        0.001156      0.004451  9.827469e-03       False fibril_MD         6        71
- CD2_TTR_1 CD2_TTR_10     1 1.231133e-03 1.259079e-06 ; 0.317413  3.009520e-01     0.926201        0.001156      0.004451  9.827469e-03       False fibril_MD         6        72
- CD2_TTR_1 CE1_TTR_10     1 1.236602e-03 1.450487e-06 ; 0.324749  2.635640e-01     0.331112        0.001654      0.004451  1.164808e-02       False fibril_MD         6        73
- CD2_TTR_1 CE2_TTR_10     1 1.236602e-03 1.450487e-06 ; 0.324749  2.635640e-01     0.331112        0.001654      0.004451  1.164808e-02       False fibril_MD         6        74
- CD2_TTR_1  CZ_TTR_10     1 2.662838e-03 5.790884e-06 ; 0.359943  3.061150e-01     0.711095        0.001541      0.004451  1.360073e-02       False fibril_MD         6        75
- CD2_TTR_1  OH_TTR_10     1 1.539972e-03 3.113021e-06 ; 0.355586  1.904511e-01     0.060982        0.001403      0.004451  1.295751e-02       False fibril_MD         6        76
- CD2_TTR_1  CA_TTR_11     1 4.789185e-03 1.971348e-05 ; 0.400329  2.908707e-01     0.858651        0.002288      0.004451  8.522972e-03       False fibril_MD         6        80
- CD2_TTR_1  CB_TTR_11     1 3.250814e-03 9.566296e-06 ; 0.378552  2.761725e-01     0.581899        0.001896      0.004451  8.850573e-03       False fibril_MD         6        81
- CD2_TTR_1  OG_TTR_11     1 8.661466e-04 7.556627e-07 ; 0.309117  2.481960e-01     0.247997        0.001072      0.004451  1.097420e-02       False fibril_MD         6        82
- CD2_TTR_1   C_TTR_11     1 1.475375e-03 1.880705e-06 ; 0.329283  2.893506e-01     0.891839        0.001387      0.004451  7.965869e-03       False fibril_MD         6        83
- CD2_TTR_1  O1_TTR_11     1 4.813816e-04 2.085747e-07 ; 0.275082  2.777521e-01     0.746981        0.000893      0.004451  7.213836e-03       False fibril_MD         6        84
- CD2_TTR_1  O2_TTR_11     1 4.813816e-04 2.085747e-07 ; 0.275082  2.777521e-01     0.746981        0.000893      0.004451  7.213836e-03       False fibril_MD         6        85
- CE1_TTR_1  CE1_TTR_1     1 1.141733e-03 1.057852e-06 ; 0.312231  3.080664e-01     0.957352        0.000757      0.004451  1.097406e-02       False fibril_MD         7         7
- CE1_TTR_1  CE2_TTR_1     1 1.141733e-03 1.057852e-06 ; 0.312231  3.080664e-01     0.957352        0.000757      0.004451  1.097406e-02       False fibril_MD         7         8
- CE1_TTR_1   CZ_TTR_1     1 1.448269e-03 1.716711e-06 ; 0.325318  3.054510e-01     0.902496        0.000778      0.004451  1.097406e-02       False fibril_MD         7         9
- CE1_TTR_1   OH_TTR_1     1 9.076784e-04 7.580748e-07 ; 0.306876  2.717014e-01     0.421459        0.000825      0.004451  1.097420e-02       False fibril_MD         7        10
- CE1_TTR_1    C_TTR_1     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000938        0.000083      0.004451  2.411251e-04       False fibril_MD         7        11
- CE1_TTR_1    O_TTR_1     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.001549        0.000105      0.004451  2.411251e-04       False fibril_MD         7        12
- CE1_TTR_1    N_TTR_2     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000062      0.004451  2.411251e-04       False fibril_MD         7        13
- CE1_TTR_1   CA_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000230      0.004451  2.411251e-04       False fibril_MD         7        14
- CE1_TTR_1   CB_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000063        0.000592      0.004451  2.411251e-04       False fibril_MD         7        15
- CE1_TTR_1  OG1_TTR_2     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.001303        0.000221      0.004451  2.411251e-04       False fibril_MD         7        16
- CE1_TTR_1  CG2_TTR_2     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000612      0.004451  2.411251e-04       False fibril_MD         7        17
- CE1_TTR_1    C_TTR_2     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000047      0.004451  2.411251e-04       False fibril_MD         7        18
- CE1_TTR_1    O_TTR_2     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000079      0.004451  2.411251e-04       False fibril_MD         7        19
- CE1_TTR_1    N_TTR_3     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000031      0.004451  2.411251e-04       False fibril_MD         7        20
- CE1_TTR_1   CA_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000265      0.004451  2.411251e-04       False fibril_MD         7        21
- CE1_TTR_1   CB_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000505      0.004451  2.411251e-04       False fibril_MD         7        22
- CE1_TTR_1  CG1_TTR_3     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.003221        0.000420      0.004451  2.411251e-04       False fibril_MD         7        23
- CE1_TTR_1  CG2_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000464      0.004451  2.411251e-04       False fibril_MD         7        24
- CE1_TTR_1   CD_TTR_3     1 1.050753e-03 3.593061e-06 ; 0.388145  7.682048e-02     0.015401        0.000628      0.004451  2.411251e-04       False fibril_MD         7        25
- CE1_TTR_1    C_TTR_3     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000116      0.004451  2.411251e-04       False fibril_MD         7        26
- CE1_TTR_1    O_TTR_3     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000139      0.004451  2.411251e-04       False fibril_MD         7        27
+ CD2_TTR_1  CA_TTR_10     1 8.114720e-03 6.272369e-05 ; 0.444658  2.624554e-01     0.426973        0.002056      0.004451  8.716880e-03       False fibril_MD         6        68
+ CD2_TTR_1  CB_TTR_10     1 2.785776e-03 6.321636e-06 ; 0.362505  3.069042e-01     0.982452        0.002023      0.004451  1.050182e-02       False fibril_MD         6        69
+ CD2_TTR_1  CG_TTR_10     1 1.798328e-03 2.687891e-06 ; 0.338135  3.007919e-01     0.979255        0.001325      0.004451  9.334397e-03       False fibril_MD         6        70
+ CD2_TTR_1 CD1_TTR_10     1 1.231133e-03 1.259079e-06 ; 0.317413  3.009520e-01     0.926201        0.001695      0.004451  9.827469e-03       False fibril_MD         6        71
+ CD2_TTR_1 CD2_TTR_10     1 1.231133e-03 1.259079e-06 ; 0.317413  3.009520e-01     0.926201        0.001695      0.004451  9.827469e-03       False fibril_MD         6        72
+ CD2_TTR_1 CE1_TTR_10     1 1.236602e-03 1.450487e-06 ; 0.324749  2.635640e-01     0.331112        0.001889      0.004451  1.164808e-02       False fibril_MD         6        73
+ CD2_TTR_1 CE2_TTR_10     1 1.236602e-03 1.450487e-06 ; 0.324749  2.635640e-01     0.331112        0.001889      0.004451  1.164808e-02       False fibril_MD         6        74
+ CD2_TTR_1  CZ_TTR_10     1 2.662838e-03 5.790884e-06 ; 0.359943  3.061150e-01     0.711095        0.001931      0.004451  1.360073e-02       False fibril_MD         6        75
+ CD2_TTR_1  OH_TTR_10     1 1.539972e-03 3.113021e-06 ; 0.355586  1.904511e-01     0.060982        0.001724      0.004451  1.295751e-02       False fibril_MD         6        76
+ CD2_TTR_1  CA_TTR_11     1 4.789185e-03 1.971348e-05 ; 0.400329  2.908707e-01     0.858651        0.002758      0.004451  8.522972e-03       False fibril_MD         6        80
+ CD2_TTR_1  CB_TTR_11     1 3.250814e-03 9.566296e-06 ; 0.378552  2.761725e-01     0.581899        0.002402      0.004451  8.850573e-03       False fibril_MD         6        81
+ CD2_TTR_1  OG_TTR_11     1 8.661466e-04 7.556627e-07 ; 0.309117  2.481960e-01     0.247997        0.001372      0.004451  1.097420e-02       False fibril_MD         6        82
+ CD2_TTR_1   C_TTR_11     1 1.475375e-03 1.880705e-06 ; 0.329283  2.893506e-01     0.891839        0.001676      0.004451  7.965869e-03       False fibril_MD         6        83
+ CD2_TTR_1  O1_TTR_11     1 4.813816e-04 2.085747e-07 ; 0.275082  2.777521e-01     0.746981        0.001185      0.004451  7.213836e-03       False fibril_MD         6        84
+ CD2_TTR_1  O2_TTR_11     1 4.813816e-04 2.085747e-07 ; 0.275082  2.777521e-01     0.746981        0.001185      0.004451  7.213836e-03       False fibril_MD         6        85
+ CE1_TTR_1  CE1_TTR_1     1 1.141733e-03 1.057852e-06 ; 0.312231  3.080664e-01     0.957352        0.001973      0.004451  1.097406e-02       False fibril_MD         7         7
+ CE1_TTR_1  CE2_TTR_1     1 1.141733e-03 1.057852e-06 ; 0.312231  3.080664e-01     0.957352        0.001973      0.004451  1.097406e-02       False fibril_MD         7         8
+ CE1_TTR_1   CZ_TTR_1     1 1.448269e-03 1.716711e-06 ; 0.325318  3.054510e-01     0.902496        0.001613      0.004451  1.097406e-02       False fibril_MD         7         9
+ CE1_TTR_1   OH_TTR_1     1 9.076784e-04 7.580748e-07 ; 0.306876  2.717014e-01     0.421459        0.001536      0.004451  1.097420e-02       False fibril_MD         7        10
+ CE1_TTR_1    C_TTR_1     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000938        0.001060      0.004451  2.411251e-04       False fibril_MD         7        11
+ CE1_TTR_1    O_TTR_1     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.001549        0.001082      0.004451  2.411251e-04       False fibril_MD         7        12
+ CE1_TTR_1    N_TTR_2     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000521      0.004451  2.411251e-04       False fibril_MD         7        13
+ CE1_TTR_1   CA_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.002194      0.004451  2.411251e-04       False fibril_MD         7        14
+ CE1_TTR_1   CB_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000063        0.003039      0.004451  2.411251e-04       False fibril_MD         7        15
+ CE1_TTR_1  OG1_TTR_2     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.001303        0.001367      0.004451  2.411251e-04       False fibril_MD         7        16
+ CE1_TTR_1  CG2_TTR_2     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.002487      0.004451  2.411251e-04       False fibril_MD         7        17
+ CE1_TTR_1    C_TTR_2     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000703      0.004451  2.411251e-04       False fibril_MD         7        18
+ CE1_TTR_1    O_TTR_2     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000855      0.004451  2.411251e-04       False fibril_MD         7        19
+ CE1_TTR_1    N_TTR_3     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000394      0.004451  2.411251e-04       False fibril_MD         7        20
+ CE1_TTR_1   CA_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.002139      0.004451  2.411251e-04       False fibril_MD         7        21
+ CE1_TTR_1   CB_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.002824      0.004451  2.411251e-04       False fibril_MD         7        22
+ CE1_TTR_1  CG1_TTR_3     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.003221        0.002458      0.004451  2.411251e-04       False fibril_MD         7        23
+ CE1_TTR_1  CG2_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.002446      0.004451  2.411251e-04       False fibril_MD         7        24
+ CE1_TTR_1   CD_TTR_3     1 0.000000e+00 2.332435e-05 ; 0.411135 -2.332435e-05     0.015401        0.002928      0.004451  2.411251e-04       False fibril_MD         7        25
+ CE1_TTR_1    C_TTR_3     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000912      0.004451  2.411251e-04       False fibril_MD         7        26
+ CE1_TTR_1    O_TTR_3     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.001072      0.004451  2.411251e-04       False fibril_MD         7        27
  CE1_TTR_1    N_TTR_4     1 6.608434e-04 9.170970e-07 ; 0.333979  1.190479e-01     0.014045        0.001010      0.001408  9.187586e-03        True native_MD         7        28
  CE1_TTR_1   CA_TTR_4     1 1.573868e-03 5.065908e-06 ; 0.384251  1.222417e-01     0.019900        0.005460      0.001408  6.281093e-03        True native_MD         7        29
  CE1_TTR_1   CB_TTR_4     1 7.400463e-04 1.166644e-06 ; 0.341151  1.173598e-01     0.012976        0.007821      0.001408  9.186744e-03        True native_MD         7        30
@@ -431,47 +431,47 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
  CE1_TTR_1   CB_TTR_8     1 7.096914e-04 1.298442e-06 ; 0.349724  9.697423e-02     0.005233        0.003956      0.001408  7.688303e-03        True native_MD         7        56
  CE1_TTR_1   OG_TTR_8     1 2.318976e-04 1.711649e-07 ; 0.300621  7.854487e-02     0.002102        0.002338      0.001408  9.187671e-03        True native_MD         7        57
  CE1_TTR_1    O_TTR_8     1 1.548181e-04 8.309084e-08 ; 0.285072  7.211577e-02     0.001555        0.000779      0.001408  9.187704e-03        True native_MD         7        59
- CE1_TTR_1   CA_TTR_9     1 9.503180e-03 9.645377e-05 ; 0.465309  2.340770e-01     0.207564        0.002203      0.004451  9.246165e-03       False fibril_MD         7        61
- CE1_TTR_1   CB_TTR_9     1 2.332956e-03 5.246631e-06 ; 0.361961  2.593419e-01     0.432835        0.002234      0.004451  7.947624e-03       False fibril_MD         7        62
- CE1_TTR_1   CG_TTR_9     1 2.657501e-03 6.716715e-06 ; 0.369074  2.628633e-01     0.366089        0.002580      0.004451  1.032770e-02       False fibril_MD         7        63
- CE1_TTR_1   CD_TTR_9     1 5.778121e-03 5.031210e-05 ; 0.453573  1.658979e-01     0.045843        0.001877      0.004451  7.721840e-03       False fibril_MD         7        64
+ CE1_TTR_1   CA_TTR_9     1 9.503180e-03 9.645377e-05 ; 0.465309  2.340770e-01     0.207564        0.002927      0.004451  9.246165e-03       False fibril_MD         7        61
+ CE1_TTR_1   CB_TTR_9     1 2.332956e-03 5.246631e-06 ; 0.361961  2.593419e-01     0.432835        0.002686      0.004451  7.947624e-03       False fibril_MD         7        62
+ CE1_TTR_1   CG_TTR_9     1 2.657501e-03 6.716715e-06 ; 0.369074  2.628633e-01     0.366089        0.003055      0.004451  1.032770e-02       False fibril_MD         7        63
+ CE1_TTR_1   CD_TTR_9     1 5.778121e-03 5.031210e-05 ; 0.453573  1.658979e-01     0.045843        0.002523      0.004451  7.721840e-03       False fibril_MD         7        64
  CE1_TTR_1   N_TTR_10     1 2.364342e-04 1.938877e-07 ; 0.305943  7.207925e-02     0.001552        0.000937      0.001408  9.187586e-03        True native_MD         7        67
- CE1_TTR_1  CA_TTR_10     1 7.907865e-03 5.110126e-05 ; 0.431581  3.059334e-01     0.888645        0.001924      0.004451  1.122194e-02       False fibril_MD         7        68
- CE1_TTR_1  CB_TTR_10     1 1.686739e-03 2.261543e-06 ; 0.332067  3.145074e-01     0.994654        0.001800      0.004451  1.197871e-02       False fibril_MD         7        69
- CE1_TTR_1  CG_TTR_10     1 1.851610e-03 2.766873e-06 ; 0.338122  3.097773e-01     0.982031        0.001200      0.004451  1.109507e-02       False fibril_MD         7        70
- CE1_TTR_1 CD1_TTR_10     1 1.106148e-03 1.176712e-06 ; 0.319504  2.599538e-01     0.318071        0.001608      0.004451  1.116545e-02       False fibril_MD         7        71
- CE1_TTR_1 CD2_TTR_10     1 1.106148e-03 1.176712e-06 ; 0.319504  2.599538e-01     0.318071        0.001608      0.004451  1.116545e-02       False fibril_MD         7        72
- CE1_TTR_1 CE1_TTR_10     1 1.912928e-03 3.650686e-06 ; 0.352192  2.505894e-01     0.226762        0.001933      0.004451  1.286468e-02       False fibril_MD         7        73
- CE1_TTR_1 CE2_TTR_10     1 1.912928e-03 3.650686e-06 ; 0.352192  2.505894e-01     0.226762        0.001933      0.004451  1.286468e-02       False fibril_MD         7        74
- CE1_TTR_1  CZ_TTR_10     1 3.574875e-03 1.356896e-05 ; 0.394955  2.354589e-01     0.155897        0.001718      0.004451  1.358990e-02       False fibril_MD         7        75
+ CE1_TTR_1  CA_TTR_10     1 7.907865e-03 5.110126e-05 ; 0.431581  3.059334e-01     0.888645        0.002692      0.004451  1.122194e-02       False fibril_MD         7        68
+ CE1_TTR_1  CB_TTR_10     1 1.686739e-03 2.261543e-06 ; 0.332067  3.145074e-01     0.994654        0.002387      0.004451  1.197871e-02       False fibril_MD         7        69
+ CE1_TTR_1  CG_TTR_10     1 1.851610e-03 2.766873e-06 ; 0.338122  3.097773e-01     0.982031        0.001623      0.004451  1.109507e-02       False fibril_MD         7        70
+ CE1_TTR_1 CD1_TTR_10     1 1.106148e-03 1.176712e-06 ; 0.319504  2.599538e-01     0.318071        0.001896      0.004451  1.116545e-02       False fibril_MD         7        71
+ CE1_TTR_1 CD2_TTR_10     1 1.106148e-03 1.176712e-06 ; 0.319504  2.599538e-01     0.318071        0.001896      0.004451  1.116545e-02       False fibril_MD         7        72
+ CE1_TTR_1 CE1_TTR_10     1 1.912928e-03 3.650686e-06 ; 0.352192  2.505894e-01     0.226762        0.002160      0.004451  1.286468e-02       False fibril_MD         7        73
+ CE1_TTR_1 CE2_TTR_10     1 1.912928e-03 3.650686e-06 ; 0.352192  2.505894e-01     0.226762        0.002160      0.004451  1.286468e-02       False fibril_MD         7        74
+ CE1_TTR_1  CZ_TTR_10     1 3.574875e-03 1.356896e-05 ; 0.394955  2.354589e-01     0.155897        0.002286      0.004451  1.358990e-02       False fibril_MD         7        75
  CE1_TTR_1  OH_TTR_10     1 2.623628e-04 1.844987e-07 ; 0.298205  9.327196e-02     0.004193        0.002681      0.001408  9.187671e-03        True native_MD         7        76
- CE1_TTR_1   C_TTR_10     1 4.316653e-03 1.966656e-05 ; 0.407159  2.368677e-01     0.192068        0.000876      0.004451  1.097406e-02       False fibril_MD         7        77
- CE1_TTR_1  CA_TTR_11     1 3.900996e-03 1.267986e-05 ; 0.384878  3.000383e-01     0.865966        0.002720      0.004451  1.022960e-02       False fibril_MD         7        80
- CE1_TTR_1  CB_TTR_11     1 2.223704e-03 4.122045e-06 ; 0.350488  2.999033e-01     0.883116        0.002420      0.004451  1.002955e-02       False fibril_MD         7        81
- CE1_TTR_1  OG_TTR_11     1 7.896110e-04 5.973279e-07 ; 0.301856  2.609478e-01     0.330666        0.001329      0.004451  1.097420e-02       False fibril_MD         7        82
- CE1_TTR_1   C_TTR_11     1 2.191629e-03 4.160714e-06 ; 0.351885  2.886065e-01     0.793403        0.001620      0.004451  8.720855e-03       False fibril_MD         7        83
- CE1_TTR_1  O1_TTR_11     1 7.029741e-04 5.004554e-07 ; 0.298816  2.468615e-01     0.338538        0.001036      0.004451  7.460052e-03       False fibril_MD         7        84
- CE1_TTR_1  O2_TTR_11     1 7.029741e-04 5.004554e-07 ; 0.298816  2.468615e-01     0.338538        0.001036      0.004451  7.460052e-03       False fibril_MD         7        85
- CE2_TTR_1  CE2_TTR_1     1 1.141733e-03 1.057852e-06 ; 0.312231  3.080664e-01     0.957352        0.000757      0.004451  1.097406e-02       False fibril_MD         8         8
- CE2_TTR_1   CZ_TTR_1     1 1.448269e-03 1.716711e-06 ; 0.325318  3.054510e-01     0.902496        0.000778      0.004451  1.097406e-02       False fibril_MD         8         9
- CE2_TTR_1   OH_TTR_1     1 9.076784e-04 7.580748e-07 ; 0.306876  2.717014e-01     0.421459        0.000825      0.004451  1.097420e-02       False fibril_MD         8        10
- CE2_TTR_1    C_TTR_1     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.002015        0.000096      0.004451  2.411251e-04       False fibril_MD         8        11
- CE2_TTR_1    O_TTR_1     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.002969        0.000113      0.004451  2.411251e-04       False fibril_MD         8        12
- CE2_TTR_1    N_TTR_2     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000038      0.004451  2.411251e-04       False fibril_MD         8        13
- CE2_TTR_1   CA_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000233      0.004451  2.411251e-04       False fibril_MD         8        14
- CE2_TTR_1   CB_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000539      0.004451  2.411251e-04       False fibril_MD         8        15
- CE2_TTR_1  OG1_TTR_2     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000213      0.004451  2.411251e-04       False fibril_MD         8        16
- CE2_TTR_1  CG2_TTR_2     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000534      0.004451  2.411251e-04       False fibril_MD         8        17
- CE2_TTR_1    C_TTR_2     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000034      0.004451  2.411251e-04       False fibril_MD         8        18
- CE2_TTR_1    O_TTR_2     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000082      0.004451  2.411251e-04       False fibril_MD         8        19
- CE2_TTR_1    N_TTR_3     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000020      0.004451  2.411251e-04       False fibril_MD         8        20
- CE2_TTR_1   CA_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000221      0.004451  2.411251e-04       False fibril_MD         8        21
- CE2_TTR_1   CB_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000008        0.000456      0.004451  2.411251e-04       False fibril_MD         8        22
- CE2_TTR_1  CG1_TTR_3     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.003221        0.000420      0.004451  2.411251e-04       False fibril_MD         8        23
- CE2_TTR_1  CG2_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000001        0.000497      0.004451  2.411251e-04       False fibril_MD         8        24
- CE2_TTR_1   CD_TTR_3     1 1.050753e-03 3.593061e-06 ; 0.388145  7.682048e-02     0.015401        0.000628      0.004451  2.411251e-04       False fibril_MD         8        25
- CE2_TTR_1    C_TTR_3     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000064      0.004451  2.411251e-04       False fibril_MD         8        26
- CE2_TTR_1    O_TTR_3     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000141      0.004451  2.411251e-04       False fibril_MD         8        27
+ CE1_TTR_1   C_TTR_10     1 4.316653e-03 1.966656e-05 ; 0.407159  2.368677e-01     0.192068        0.001129      0.004451  1.097406e-02       False fibril_MD         7        77
+ CE1_TTR_1  CA_TTR_11     1 3.900996e-03 1.267986e-05 ; 0.384878  3.000383e-01     0.865966        0.003264      0.004451  1.022960e-02       False fibril_MD         7        80
+ CE1_TTR_1  CB_TTR_11     1 2.223704e-03 4.122045e-06 ; 0.350488  2.999033e-01     0.883116        0.002861      0.004451  1.002955e-02       False fibril_MD         7        81
+ CE1_TTR_1  OG_TTR_11     1 7.896110e-04 5.973279e-07 ; 0.301856  2.609478e-01     0.330666        0.001551      0.004451  1.097420e-02       False fibril_MD         7        82
+ CE1_TTR_1   C_TTR_11     1 2.191629e-03 4.160714e-06 ; 0.351885  2.886065e-01     0.793403        0.001902      0.004451  8.720855e-03       False fibril_MD         7        83
+ CE1_TTR_1  O1_TTR_11     1 7.029741e-04 5.004554e-07 ; 0.298816  2.468615e-01     0.338538        0.001304      0.004451  7.460052e-03       False fibril_MD         7        84
+ CE1_TTR_1  O2_TTR_11     1 7.029741e-04 5.004554e-07 ; 0.298816  2.468615e-01     0.338538        0.001304      0.004451  7.460052e-03       False fibril_MD         7        85
+ CE2_TTR_1  CE2_TTR_1     1 1.141733e-03 1.057852e-06 ; 0.312231  3.080664e-01     0.957352        0.001973      0.004451  1.097406e-02       False fibril_MD         8         8
+ CE2_TTR_1   CZ_TTR_1     1 1.448269e-03 1.716711e-06 ; 0.325318  3.054510e-01     0.902496        0.001613      0.004451  1.097406e-02       False fibril_MD         8         9
+ CE2_TTR_1   OH_TTR_1     1 9.076784e-04 7.580748e-07 ; 0.306876  2.717014e-01     0.421459        0.001536      0.004451  1.097420e-02       False fibril_MD         8        10
+ CE2_TTR_1    C_TTR_1     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.002015        0.001053      0.004451  2.411251e-04       False fibril_MD         8        11
+ CE2_TTR_1    O_TTR_1     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.002969        0.001014      0.004451  2.411251e-04       False fibril_MD         8        12
+ CE2_TTR_1    N_TTR_2     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000535      0.004451  2.411251e-04       False fibril_MD         8        13
+ CE2_TTR_1   CA_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.002138      0.004451  2.411251e-04       False fibril_MD         8        14
+ CE2_TTR_1   CB_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.003189      0.004451  2.411251e-04       False fibril_MD         8        15
+ CE2_TTR_1  OG1_TTR_2     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.001360      0.004451  2.411251e-04       False fibril_MD         8        16
+ CE2_TTR_1  CG2_TTR_2     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.002661      0.004451  2.411251e-04       False fibril_MD         8        17
+ CE2_TTR_1    C_TTR_2     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000695      0.004451  2.411251e-04       False fibril_MD         8        18
+ CE2_TTR_1    O_TTR_2     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000848      0.004451  2.411251e-04       False fibril_MD         8        19
+ CE2_TTR_1    N_TTR_3     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000393      0.004451  2.411251e-04       False fibril_MD         8        20
+ CE2_TTR_1   CA_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.002058      0.004451  2.411251e-04       False fibril_MD         8        21
+ CE2_TTR_1   CB_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000008        0.002834      0.004451  2.411251e-04       False fibril_MD         8        22
+ CE2_TTR_1  CG1_TTR_3     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.003221        0.002458      0.004451  2.411251e-04       False fibril_MD         8        23
+ CE2_TTR_1  CG2_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000001        0.002392      0.004451  2.411251e-04       False fibril_MD         8        24
+ CE2_TTR_1   CD_TTR_3     1 0.000000e+00 2.332435e-05 ; 0.411135 -2.332435e-05     0.015401        0.002928      0.004451  2.411251e-04       False fibril_MD         8        25
+ CE2_TTR_1    C_TTR_3     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000851      0.004451  2.411251e-04       False fibril_MD         8        26
+ CE2_TTR_1    O_TTR_3     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000978      0.004451  2.411251e-04       False fibril_MD         8        27
  CE2_TTR_1    N_TTR_4     1 6.608434e-04 9.170970e-07 ; 0.333979  1.190479e-01     0.014045        0.001010      0.001408  9.187586e-03        True native_MD         8        28
  CE2_TTR_1   CA_TTR_4     1 1.573868e-03 5.065908e-06 ; 0.384251  1.222417e-01     0.019900        0.005460      0.001408  6.281093e-03        True native_MD         8        29
  CE2_TTR_1   CB_TTR_4     1 7.400463e-04 1.166644e-06 ; 0.341151  1.173598e-01     0.012976        0.007821      0.001408  9.186744e-03        True native_MD         8        30
@@ -499,46 +499,46 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
  CE2_TTR_1   CB_TTR_8     1 7.096914e-04 1.298442e-06 ; 0.349724  9.697423e-02     0.005233        0.003956      0.001408  7.688303e-03        True native_MD         8        56
  CE2_TTR_1   OG_TTR_8     1 2.318976e-04 1.711649e-07 ; 0.300621  7.854487e-02     0.002102        0.002338      0.001408  9.187671e-03        True native_MD         8        57
  CE2_TTR_1    O_TTR_8     1 1.548181e-04 8.309084e-08 ; 0.285072  7.211577e-02     0.001555        0.000779      0.001408  9.187704e-03        True native_MD         8        59
- CE2_TTR_1   CA_TTR_9     1 9.503180e-03 9.645377e-05 ; 0.465309  2.340770e-01     0.207564        0.002203      0.004451  9.246165e-03       False fibril_MD         8        61
- CE2_TTR_1   CB_TTR_9     1 2.332956e-03 5.246631e-06 ; 0.361961  2.593419e-01     0.432835        0.002234      0.004451  7.947624e-03       False fibril_MD         8        62
- CE2_TTR_1   CG_TTR_9     1 2.657501e-03 6.716715e-06 ; 0.369074  2.628633e-01     0.366089        0.002580      0.004451  1.032770e-02       False fibril_MD         8        63
- CE2_TTR_1   CD_TTR_9     1 5.778121e-03 5.031210e-05 ; 0.453573  1.658979e-01     0.045843        0.001877      0.004451  7.721840e-03       False fibril_MD         8        64
+ CE2_TTR_1   CA_TTR_9     1 9.503180e-03 9.645377e-05 ; 0.465309  2.340770e-01     0.207564        0.002927      0.004451  9.246165e-03       False fibril_MD         8        61
+ CE2_TTR_1   CB_TTR_9     1 2.332956e-03 5.246631e-06 ; 0.361961  2.593419e-01     0.432835        0.002686      0.004451  7.947624e-03       False fibril_MD         8        62
+ CE2_TTR_1   CG_TTR_9     1 2.657501e-03 6.716715e-06 ; 0.369074  2.628633e-01     0.366089        0.003055      0.004451  1.032770e-02       False fibril_MD         8        63
+ CE2_TTR_1   CD_TTR_9     1 5.778121e-03 5.031210e-05 ; 0.453573  1.658979e-01     0.045843        0.002523      0.004451  7.721840e-03       False fibril_MD         8        64
  CE2_TTR_1   N_TTR_10     1 2.364342e-04 1.938877e-07 ; 0.305943  7.207925e-02     0.001552        0.000937      0.001408  9.187586e-03        True native_MD         8        67
- CE2_TTR_1  CA_TTR_10     1 7.907865e-03 5.110126e-05 ; 0.431581  3.059334e-01     0.888645        0.001924      0.004451  1.122194e-02       False fibril_MD         8        68
- CE2_TTR_1  CB_TTR_10     1 1.686739e-03 2.261543e-06 ; 0.332067  3.145074e-01     0.994654        0.001800      0.004451  1.197871e-02       False fibril_MD         8        69
- CE2_TTR_1  CG_TTR_10     1 1.851610e-03 2.766873e-06 ; 0.338122  3.097773e-01     0.982031        0.001200      0.004451  1.109507e-02       False fibril_MD         8        70
- CE2_TTR_1 CD1_TTR_10     1 1.106148e-03 1.176712e-06 ; 0.319504  2.599538e-01     0.318071        0.001608      0.004451  1.116545e-02       False fibril_MD         8        71
- CE2_TTR_1 CD2_TTR_10     1 1.106148e-03 1.176712e-06 ; 0.319504  2.599538e-01     0.318071        0.001608      0.004451  1.116545e-02       False fibril_MD         8        72
- CE2_TTR_1 CE1_TTR_10     1 1.912928e-03 3.650686e-06 ; 0.352192  2.505894e-01     0.226762        0.001933      0.004451  1.286468e-02       False fibril_MD         8        73
- CE2_TTR_1 CE2_TTR_10     1 1.912928e-03 3.650686e-06 ; 0.352192  2.505894e-01     0.226762        0.001933      0.004451  1.286468e-02       False fibril_MD         8        74
- CE2_TTR_1  CZ_TTR_10     1 3.574875e-03 1.356896e-05 ; 0.394955  2.354589e-01     0.155897        0.001718      0.004451  1.358990e-02       False fibril_MD         8        75
+ CE2_TTR_1  CA_TTR_10     1 7.907865e-03 5.110126e-05 ; 0.431581  3.059334e-01     0.888645        0.002692      0.004451  1.122194e-02       False fibril_MD         8        68
+ CE2_TTR_1  CB_TTR_10     1 1.686739e-03 2.261543e-06 ; 0.332067  3.145074e-01     0.994654        0.002387      0.004451  1.197871e-02       False fibril_MD         8        69
+ CE2_TTR_1  CG_TTR_10     1 1.851610e-03 2.766873e-06 ; 0.338122  3.097773e-01     0.982031        0.001623      0.004451  1.109507e-02       False fibril_MD         8        70
+ CE2_TTR_1 CD1_TTR_10     1 1.106148e-03 1.176712e-06 ; 0.319504  2.599538e-01     0.318071        0.001896      0.004451  1.116545e-02       False fibril_MD         8        71
+ CE2_TTR_1 CD2_TTR_10     1 1.106148e-03 1.176712e-06 ; 0.319504  2.599538e-01     0.318071        0.001896      0.004451  1.116545e-02       False fibril_MD         8        72
+ CE2_TTR_1 CE1_TTR_10     1 1.912928e-03 3.650686e-06 ; 0.352192  2.505894e-01     0.226762        0.002160      0.004451  1.286468e-02       False fibril_MD         8        73
+ CE2_TTR_1 CE2_TTR_10     1 1.912928e-03 3.650686e-06 ; 0.352192  2.505894e-01     0.226762        0.002160      0.004451  1.286468e-02       False fibril_MD         8        74
+ CE2_TTR_1  CZ_TTR_10     1 3.574875e-03 1.356896e-05 ; 0.394955  2.354589e-01     0.155897        0.002286      0.004451  1.358990e-02       False fibril_MD         8        75
  CE2_TTR_1  OH_TTR_10     1 2.623628e-04 1.844987e-07 ; 0.298205  9.327196e-02     0.004193        0.002681      0.001408  9.187671e-03        True native_MD         8        76
- CE2_TTR_1   C_TTR_10     1 4.316653e-03 1.966656e-05 ; 0.407159  2.368677e-01     0.192068        0.000876      0.004451  1.097406e-02       False fibril_MD         8        77
- CE2_TTR_1  CA_TTR_11     1 3.900996e-03 1.267986e-05 ; 0.384878  3.000383e-01     0.865966        0.002720      0.004451  1.022960e-02       False fibril_MD         8        80
- CE2_TTR_1  CB_TTR_11     1 2.223704e-03 4.122045e-06 ; 0.350488  2.999033e-01     0.883116        0.002420      0.004451  1.002955e-02       False fibril_MD         8        81
- CE2_TTR_1  OG_TTR_11     1 7.896110e-04 5.973279e-07 ; 0.301856  2.609478e-01     0.330666        0.001329      0.004451  1.097420e-02       False fibril_MD         8        82
- CE2_TTR_1   C_TTR_11     1 2.191629e-03 4.160714e-06 ; 0.351885  2.886065e-01     0.793403        0.001620      0.004451  8.720855e-03       False fibril_MD         8        83
- CE2_TTR_1  O1_TTR_11     1 7.029741e-04 5.004554e-07 ; 0.298816  2.468615e-01     0.338538        0.001036      0.004451  7.460052e-03       False fibril_MD         8        84
- CE2_TTR_1  O2_TTR_11     1 7.029741e-04 5.004554e-07 ; 0.298816  2.468615e-01     0.338538        0.001036      0.004451  7.460052e-03       False fibril_MD         8        85
-  CZ_TTR_1   CZ_TTR_1     1 4.012110e-03 1.380868e-05 ; 0.388565  2.914295e-01     0.657749        0.000483      0.004451  1.097406e-02       False fibril_MD         9         9
-  CZ_TTR_1   OH_TTR_1     1 1.866873e-03 3.056257e-06 ; 0.343304  2.850884e-01     0.570063        0.000718      0.004451  1.097420e-02       False fibril_MD         9        10
-  CZ_TTR_1    C_TTR_1     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000071      0.004451  2.411251e-04       False fibril_MD         9        11
-  CZ_TTR_1    O_TTR_1     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000102      0.004451  2.411251e-04       False fibril_MD         9        12
-  CZ_TTR_1    N_TTR_2     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000043      0.004451  2.411251e-04       False fibril_MD         9        13
-  CZ_TTR_1   CA_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000215      0.004451  2.411251e-04       False fibril_MD         9        14
-  CZ_TTR_1   CB_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000015        0.000610      0.004451  2.411251e-04       False fibril_MD         9        15
-  CZ_TTR_1  OG1_TTR_2     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000389        0.000228      0.004451  2.411251e-04       False fibril_MD         9        16
-  CZ_TTR_1  CG2_TTR_2     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000583      0.004451  2.411251e-04       False fibril_MD         9        17
-  CZ_TTR_1    C_TTR_2     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000031      0.004451  2.411251e-04       False fibril_MD         9        18
-  CZ_TTR_1    O_TTR_2     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000081      0.004451  2.411251e-04       False fibril_MD         9        19
-  CZ_TTR_1    N_TTR_3     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000009      0.004451  2.411251e-04       False fibril_MD         9        20
-  CZ_TTR_1   CA_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000292      0.004451  2.411251e-04       False fibril_MD         9        21
-  CZ_TTR_1   CB_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000505      0.004451  2.411251e-04       False fibril_MD         9        22
-  CZ_TTR_1  CG1_TTR_3     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000009        0.000431      0.004451  2.411251e-04       False fibril_MD         9        23
-  CZ_TTR_1  CG2_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000536      0.004451  2.411251e-04       False fibril_MD         9        24
-  CZ_TTR_1   CD_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000757        0.000736      0.004451  2.411251e-04       False fibril_MD         9        25
-  CZ_TTR_1    C_TTR_3     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000099      0.004451  2.411251e-04       False fibril_MD         9        26
-  CZ_TTR_1    O_TTR_3     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000188      0.004451  2.411251e-04       False fibril_MD         9        27
+ CE2_TTR_1   C_TTR_10     1 4.316653e-03 1.966656e-05 ; 0.407159  2.368677e-01     0.192068        0.001129      0.004451  1.097406e-02       False fibril_MD         8        77
+ CE2_TTR_1  CA_TTR_11     1 3.900996e-03 1.267986e-05 ; 0.384878  3.000383e-01     0.865966        0.003264      0.004451  1.022960e-02       False fibril_MD         8        80
+ CE2_TTR_1  CB_TTR_11     1 2.223704e-03 4.122045e-06 ; 0.350488  2.999033e-01     0.883116        0.002861      0.004451  1.002955e-02       False fibril_MD         8        81
+ CE2_TTR_1  OG_TTR_11     1 7.896110e-04 5.973279e-07 ; 0.301856  2.609478e-01     0.330666        0.001551      0.004451  1.097420e-02       False fibril_MD         8        82
+ CE2_TTR_1   C_TTR_11     1 2.191629e-03 4.160714e-06 ; 0.351885  2.886065e-01     0.793403        0.001902      0.004451  8.720855e-03       False fibril_MD         8        83
+ CE2_TTR_1  O1_TTR_11     1 7.029741e-04 5.004554e-07 ; 0.298816  2.468615e-01     0.338538        0.001304      0.004451  7.460052e-03       False fibril_MD         8        84
+ CE2_TTR_1  O2_TTR_11     1 7.029741e-04 5.004554e-07 ; 0.298816  2.468615e-01     0.338538        0.001304      0.004451  7.460052e-03       False fibril_MD         8        85
+  CZ_TTR_1   CZ_TTR_1     1 4.012110e-03 1.380868e-05 ; 0.388565  2.914295e-01     0.657749        0.000886      0.004451  1.097406e-02       False fibril_MD         9         9
+  CZ_TTR_1   OH_TTR_1     1 1.866873e-03 3.056257e-06 ; 0.343304  2.850884e-01     0.570063        0.001280      0.004451  1.097420e-02       False fibril_MD         9        10
+  CZ_TTR_1    C_TTR_1     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000826      0.004451  2.411251e-04       False fibril_MD         9        11
+  CZ_TTR_1    O_TTR_1     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.001010      0.004451  2.411251e-04       False fibril_MD         9        12
+  CZ_TTR_1    N_TTR_2     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000353      0.004451  2.411251e-04       False fibril_MD         9        13
+  CZ_TTR_1   CA_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.002025      0.004451  2.411251e-04       False fibril_MD         9        14
+  CZ_TTR_1   CB_TTR_2     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000015        0.003300      0.004451  2.411251e-04       False fibril_MD         9        15
+  CZ_TTR_1  OG1_TTR_2     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000389        0.001301      0.004451  2.411251e-04       False fibril_MD         9        16
+  CZ_TTR_1  CG2_TTR_2     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.002735      0.004451  2.411251e-04       False fibril_MD         9        17
+  CZ_TTR_1    C_TTR_2     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000603      0.004451  2.411251e-04       False fibril_MD         9        18
+  CZ_TTR_1    O_TTR_2     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000913      0.004451  2.411251e-04       False fibril_MD         9        19
+  CZ_TTR_1    N_TTR_3     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000314      0.004451  2.411251e-04       False fibril_MD         9        20
+  CZ_TTR_1   CA_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.002074      0.004451  2.411251e-04       False fibril_MD         9        21
+  CZ_TTR_1   CB_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.002871      0.004451  2.411251e-04       False fibril_MD         9        22
+  CZ_TTR_1  CG1_TTR_3     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000009        0.002484      0.004451  2.411251e-04       False fibril_MD         9        23
+  CZ_TTR_1  CG2_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.002519      0.004451  2.411251e-04       False fibril_MD         9        24
+  CZ_TTR_1   CD_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000757        0.003051      0.004451  2.411251e-04       False fibril_MD         9        25
+  CZ_TTR_1    C_TTR_3     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000838      0.004451  2.411251e-04       False fibril_MD         9        26
+  CZ_TTR_1    O_TTR_3     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.001081      0.004451  2.411251e-04       False fibril_MD         9        27
   CZ_TTR_1   CB_TTR_4     1 1.142387e-03 2.452647e-06 ; 0.359173  1.330245e-01     0.027053        0.006744      0.001408  9.186744e-03        True native_MD         9        30
   CZ_TTR_1   CB_TTR_5     1 9.607266e-04 1.740902e-06 ; 0.349164  1.325456e-01     0.026452        0.004159      0.001408  9.186744e-03        True native_MD         9        35
   CZ_TTR_1    O_TTR_5     1 4.023868e-04 3.373083e-07 ; 0.307065  1.200053e-01     0.014690        0.001307      0.001408  9.187704e-03        True native_MD         9        37
@@ -557,47 +557,47 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
   CZ_TTR_1    N_TTR_8     1 5.522725e-04 6.571267e-07 ; 0.325524  1.160373e-01     0.012195        0.000425      0.001408  9.187586e-03        True native_MD         9        54
   CZ_TTR_1   CA_TTR_8     1 1.979138e-03 8.477668e-06 ; 0.402995  1.155090e-01     0.014145        0.002982      0.001408  6.281093e-03        True native_MD         9        55
   CZ_TTR_1   CB_TTR_8     1 1.369651e-03 4.096592e-06 ; 0.379579  1.144819e-01     0.012272        0.003559      0.001408  7.688303e-03        True native_MD         9        56
-  CZ_TTR_1   CA_TTR_9     1 8.508605e-03 7.211454e-05 ; 0.451538  2.509770e-01     0.344054        0.002459      0.004451  8.191440e-03       False fibril_MD         9        61
-  CZ_TTR_1   CB_TTR_9     1 2.149399e-03 4.339873e-06 ; 0.355517  2.661320e-01     0.493632        0.002481      0.004451  8.217214e-03       False fibril_MD         9        62
-  CZ_TTR_1   CG_TTR_9     1 3.091426e-03 8.676055e-06 ; 0.375573  2.753819e-01     0.480600        0.002745      0.004451  1.047022e-02       False fibril_MD         9        63
-  CZ_TTR_1   CD_TTR_9     1 5.843336e-03 5.145528e-05 ; 0.454424  1.658944e-01     0.041718        0.001996      0.004451  9.398312e-03       False fibril_MD         9        64
-  CZ_TTR_1    C_TTR_9     1 3.080288e-03 1.821252e-05 ; 0.425236  1.302425e-01     0.017327        0.000818      0.004451  1.097406e-02       False fibril_MD         9        65
-  CZ_TTR_1  CA_TTR_10     1 1.006632e-02 8.709976e-05 ; 0.453097  2.908470e-01     0.623803        0.002071      0.004451  1.137730e-02       False fibril_MD         9        68
-  CZ_TTR_1  CB_TTR_10     1 2.321097e-03 4.216041e-06 ; 0.349303  3.194639e-01     0.933258        0.001986      0.004451  1.376492e-02       False fibril_MD         9        69
-  CZ_TTR_1  CG_TTR_10     1 3.324095e-03 9.090369e-06 ; 0.373954  3.038823e-01     0.755061        0.001327      0.004451  1.240124e-02       False fibril_MD         9        70
-  CZ_TTR_1 CD1_TTR_10     1 1.811641e-03 2.790189e-06 ; 0.339829  2.940699e-01     0.593222        0.001491      0.004451  1.269067e-02       False fibril_MD         9        71
-  CZ_TTR_1 CD2_TTR_10     1 1.811641e-03 2.790189e-06 ; 0.339829  2.940699e-01     0.593222        0.001491      0.004451  1.269067e-02       False fibril_MD         9        72
-  CZ_TTR_1 CE1_TTR_10     1 2.973416e-03 8.962144e-06 ; 0.380066  2.466264e-01     0.213475        0.001742      0.004451  1.249316e-02       False fibril_MD         9        73
-  CZ_TTR_1 CE2_TTR_10     1 2.973416e-03 8.962144e-06 ; 0.380066  2.466264e-01     0.213475        0.001742      0.004451  1.249316e-02       False fibril_MD         9        74
-  CZ_TTR_1  CZ_TTR_10     1 1.996583e-03 9.934762e-06 ; 0.413185  1.003130e-01     0.008634        0.001803      0.004451  1.263117e-02       False fibril_MD         9        75
+  CZ_TTR_1   CA_TTR_9     1 8.508605e-03 7.211454e-05 ; 0.451538  2.509770e-01     0.344054        0.002989      0.004451  8.191440e-03       False fibril_MD         9        61
+  CZ_TTR_1   CB_TTR_9     1 2.149399e-03 4.339873e-06 ; 0.355517  2.661320e-01     0.493632        0.002928      0.004451  8.217214e-03       False fibril_MD         9        62
+  CZ_TTR_1   CG_TTR_9     1 3.091426e-03 8.676055e-06 ; 0.375573  2.753819e-01     0.480600        0.003369      0.004451  1.047022e-02       False fibril_MD         9        63
+  CZ_TTR_1   CD_TTR_9     1 5.843336e-03 5.145528e-05 ; 0.454424  1.658944e-01     0.041718        0.002648      0.004451  9.398312e-03       False fibril_MD         9        64
+  CZ_TTR_1    C_TTR_9     1 3.080288e-03 1.821252e-05 ; 0.425236  1.302425e-01     0.017327        0.001096      0.004451  1.097406e-02       False fibril_MD         9        65
+  CZ_TTR_1  CA_TTR_10     1 1.006632e-02 8.709976e-05 ; 0.453097  2.908470e-01     0.623803        0.002729      0.004451  1.137730e-02       False fibril_MD         9        68
+  CZ_TTR_1  CB_TTR_10     1 2.321097e-03 4.216041e-06 ; 0.349303  3.194639e-01     0.933258        0.002476      0.004451  1.376492e-02       False fibril_MD         9        69
+  CZ_TTR_1  CG_TTR_10     1 3.324095e-03 9.090369e-06 ; 0.373954  3.038823e-01     0.755061        0.001619      0.004451  1.240124e-02       False fibril_MD         9        70
+  CZ_TTR_1 CD1_TTR_10     1 1.811641e-03 2.790189e-06 ; 0.339829  2.940699e-01     0.593222        0.002021      0.004451  1.269067e-02       False fibril_MD         9        71
+  CZ_TTR_1 CD2_TTR_10     1 1.811641e-03 2.790189e-06 ; 0.339829  2.940699e-01     0.593222        0.002021      0.004451  1.269067e-02       False fibril_MD         9        72
+  CZ_TTR_1 CE1_TTR_10     1 2.973416e-03 8.962144e-06 ; 0.380066  2.466264e-01     0.213475        0.002382      0.004451  1.249316e-02       False fibril_MD         9        73
+  CZ_TTR_1 CE2_TTR_10     1 2.973416e-03 8.962144e-06 ; 0.380066  2.466264e-01     0.213475        0.002382      0.004451  1.249316e-02       False fibril_MD         9        74
+  CZ_TTR_1  CZ_TTR_10     1 1.996583e-03 9.934762e-06 ; 0.413185  1.003130e-01     0.008634        0.002326      0.004451  1.263117e-02       False fibril_MD         9        75
   CZ_TTR_1  OH_TTR_10     1 3.504262e-04 3.416421e-07 ; 0.314893  8.985905e-02     0.003573        0.002328      0.001408  9.187671e-03        True native_MD         9        76
-  CZ_TTR_1   C_TTR_10     1 3.670173e-03 1.509243e-05 ; 0.400263  2.231280e-01     0.140874        0.000741      0.004451  1.097406e-02       False fibril_MD         9        77
-  CZ_TTR_1   O_TTR_10     1 1.089236e-03 1.874972e-06 ; 0.346188  1.581937e-01     0.032553        0.000940      0.004451  1.097422e-02       False fibril_MD         9        78
-  CZ_TTR_1   N_TTR_11     1 3.017260e-03 1.143417e-05 ; 0.394850  1.990493e-01     0.081828        0.000542      0.004451  1.097414e-02       False fibril_MD         9        79
-  CZ_TTR_1  CA_TTR_11     1 8.145856e-03 5.586361e-05 ; 0.435878  2.969508e-01     0.810401        0.002722      0.004451  1.018978e-02       False fibril_MD         9        80
-  CZ_TTR_1  CB_TTR_11     1 3.726880e-03 1.160275e-05 ; 0.382122  2.992745e-01     0.846932        0.002447      0.004451  1.027186e-02       False fibril_MD         9        81
-  CZ_TTR_1  OG_TTR_11     1 7.860921e-04 5.574093e-07 ; 0.298619  2.771486e-01     0.476571        0.001367      0.004451  1.097420e-02       False fibril_MD         9        82
-  CZ_TTR_1   C_TTR_11     1 4.295125e-03 1.649323e-05 ; 0.395720  2.796314e-01     0.596788        0.001518      0.004451  9.340670e-03       False fibril_MD         9        83
-  CZ_TTR_1  O1_TTR_11     1 9.069072e-04 8.172272e-07 ; 0.310787  2.516071e-01     0.350613        0.001025      0.004451  8.157703e-03       False fibril_MD         9        84
-  CZ_TTR_1  O2_TTR_11     1 9.069072e-04 8.172272e-07 ; 0.310787  2.516071e-01     0.350613        0.001025      0.004451  8.157703e-03       False fibril_MD         9        85
-  OH_TTR_1   OH_TTR_1     1 1.113661e-03 1.341129e-06 ; 0.326177  2.311932e-01     0.168984        0.000506      0.004451  1.097435e-02       False fibril_MD        10        10
-  OH_TTR_1    C_TTR_1     1 1.180394e-03 4.763436e-06 ; 0.399009  7.312627e-02     0.005070        0.000135      0.004451  2.411251e-04       False fibril_MD        10        11
+  CZ_TTR_1   C_TTR_10     1 3.670173e-03 1.509243e-05 ; 0.400263  2.231280e-01     0.140874        0.001077      0.004451  1.097406e-02       False fibril_MD         9        77
+  CZ_TTR_1   O_TTR_10     1 1.089236e-03 1.874972e-06 ; 0.346188  1.581937e-01     0.032553        0.001223      0.004451  1.097422e-02       False fibril_MD         9        78
+  CZ_TTR_1   N_TTR_11     1 3.017260e-03 1.143417e-05 ; 0.394850  1.990493e-01     0.081828        0.000637      0.004451  1.097414e-02       False fibril_MD         9        79
+  CZ_TTR_1  CA_TTR_11     1 8.145856e-03 5.586361e-05 ; 0.435878  2.969508e-01     0.810401        0.003372      0.004451  1.018978e-02       False fibril_MD         9        80
+  CZ_TTR_1  CB_TTR_11     1 3.726880e-03 1.160275e-05 ; 0.382122  2.992745e-01     0.846932        0.002922      0.004451  1.027186e-02       False fibril_MD         9        81
+  CZ_TTR_1  OG_TTR_11     1 7.860921e-04 5.574093e-07 ; 0.298619  2.771486e-01     0.476571        0.001574      0.004451  1.097420e-02       False fibril_MD         9        82
+  CZ_TTR_1   C_TTR_11     1 4.295125e-03 1.649323e-05 ; 0.395720  2.796314e-01     0.596788        0.001952      0.004451  9.340670e-03       False fibril_MD         9        83
+  CZ_TTR_1  O1_TTR_11     1 9.069072e-04 8.172272e-07 ; 0.310787  2.516071e-01     0.350613        0.001320      0.004451  8.157703e-03       False fibril_MD         9        84
+  CZ_TTR_1  O2_TTR_11     1 9.069072e-04 8.172272e-07 ; 0.310787  2.516071e-01     0.350613        0.001320      0.004451  8.157703e-03       False fibril_MD         9        85
+  OH_TTR_1   OH_TTR_1     1 1.113661e-03 1.341129e-06 ; 0.326177  2.311932e-01     0.168984        0.000860      0.004451  1.097435e-02       False fibril_MD        10        10
+  OH_TTR_1    C_TTR_1     1 0.000000e+00 1.302797e-05 ; 0.391657 -1.302797e-05     0.005070        0.000836      0.004451  2.411251e-04       False fibril_MD        10        11
   OH_TTR_1    O_TTR_1     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000000        0.000000      0.001408  3.126285e-10        True native_MD        10        12
   OH_TTR_1    N_TTR_2     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000034        0.000000      0.001408  3.126285e-10        True native_MD        10        13
-  OH_TTR_1   CA_TTR_2     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000029        0.000272      0.004451  2.411251e-04       False fibril_MD        10        14
-  OH_TTR_1   CB_TTR_2     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.001305        0.000744      0.004451  2.411251e-04       False fibril_MD        10        15
-  OH_TTR_1  OG1_TTR_2     1 7.171854e-04 1.417732e-06 ; 0.354264  9.070029e-02     0.014252        0.000326      0.004451  2.411251e-04       False fibril_MD        10        16
-  OH_TTR_1  CG2_TTR_2     1 0.000000e+00 2.076926e-06 ; 0.336087 -2.076926e-06     0.000000        0.000691      0.004451  2.411251e-04       False fibril_MD        10        17
-  OH_TTR_1    C_TTR_2     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000082      0.004451  2.411251e-04       False fibril_MD        10        18
-  OH_TTR_1    O_TTR_2     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000000        0.000144      0.004451  2.411251e-04       False fibril_MD        10        19
-  OH_TTR_1    N_TTR_3     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000000        0.000045      0.004451  2.411251e-04       False fibril_MD        10        20
-  OH_TTR_1   CA_TTR_3     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000000        0.000432      0.004451  2.411251e-04       False fibril_MD        10        21
-  OH_TTR_1   CB_TTR_3     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000000        0.000658      0.004451  2.411251e-04       False fibril_MD        10        22
-  OH_TTR_1  CG1_TTR_3     1 0.000000e+00 2.783506e-06 ; 0.344389 -2.783506e-06     0.000000        0.000578      0.004451  2.411251e-04       False fibril_MD        10        23
-  OH_TTR_1  CG2_TTR_3     1 0.000000e+00 2.076926e-06 ; 0.336087 -2.076926e-06     0.000000        0.000635      0.004451  2.411251e-04       False fibril_MD        10        24
-  OH_TTR_1   CD_TTR_3     1 0.000000e+00 2.076926e-06 ; 0.336087 -2.076926e-06     0.000041        0.000848      0.004451  2.411251e-04       False fibril_MD        10        25
-  OH_TTR_1    C_TTR_3     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000233      0.004451  2.411251e-04       False fibril_MD        10        26
-  OH_TTR_1    O_TTR_3     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000000        0.000242      0.004451  2.411251e-04       False fibril_MD        10        27
+  OH_TTR_1   CA_TTR_2     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000029        0.002022      0.004451  2.411251e-04       False fibril_MD        10        14
+  OH_TTR_1   CB_TTR_2     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.001305        0.002920      0.004451  2.411251e-04       False fibril_MD        10        15
+  OH_TTR_1  OG1_TTR_2     1 0.000000e+00 3.822974e-06 ; 0.353617 -3.822974e-06     0.014252        0.001309      0.004451  2.411251e-04       False fibril_MD        10        16
+  OH_TTR_1  CG2_TTR_2     1 0.000000e+00 2.076926e-06 ; 0.336087 -2.076926e-06     0.000000        0.002454      0.004451  2.411251e-04       False fibril_MD        10        17
+  OH_TTR_1    C_TTR_2     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000723      0.004451  2.411251e-04       False fibril_MD        10        18
+  OH_TTR_1    O_TTR_2     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000000        0.000861      0.004451  2.411251e-04       False fibril_MD        10        19
+  OH_TTR_1    N_TTR_3     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000000        0.000497      0.004451  2.411251e-04       False fibril_MD        10        20
+  OH_TTR_1   CA_TTR_3     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000000        0.002085      0.004451  2.411251e-04       False fibril_MD        10        21
+  OH_TTR_1   CB_TTR_3     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000000        0.002708      0.004451  2.411251e-04       False fibril_MD        10        22
+  OH_TTR_1  CG1_TTR_3     1 0.000000e+00 2.783506e-06 ; 0.344389 -2.783506e-06     0.000000        0.002283      0.004451  2.411251e-04       False fibril_MD        10        23
+  OH_TTR_1  CG2_TTR_3     1 0.000000e+00 2.076926e-06 ; 0.336087 -2.076926e-06     0.000000        0.002343      0.004451  2.411251e-04       False fibril_MD        10        24
+  OH_TTR_1   CD_TTR_3     1 0.000000e+00 2.076926e-06 ; 0.336087 -2.076926e-06     0.000041        0.002730      0.004451  2.411251e-04       False fibril_MD        10        25
+  OH_TTR_1    C_TTR_3     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.001058      0.004451  2.411251e-04       False fibril_MD        10        26
+  OH_TTR_1    O_TTR_3     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000000        0.001117      0.004451  2.411251e-04       False fibril_MD        10        27
   OH_TTR_1    N_TTR_4     1 3.524486e-04 2.233998e-07 ; 0.293088  1.390109e-01     0.035819        0.000629      0.001408  9.187803e-03        True native_MD        10        28
   OH_TTR_1   CA_TTR_4     1 1.571160e-03 4.467751e-06 ; 0.376396  1.381312e-01     0.044537        0.003997      0.001408  6.281250e-03        True native_MD        10        29
   OH_TTR_1   CB_TTR_4     1 5.518308e-04 5.353459e-07 ; 0.314633  1.422058e-01     0.041612        0.005898      0.001408  9.186961e-03        True native_MD        10        30
@@ -626,75 +626,75 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
   OH_TTR_1   CB_TTR_8     1 5.262952e-04 5.996053e-07 ; 0.323176  1.154871e-01     0.012888        0.002263      0.001408  7.688490e-03        True native_MD        10        56
   OH_TTR_1   OG_TTR_8     1 1.408090e-04 4.614732e-08 ; 0.262575  1.074124e-01     0.008138        0.001738      0.001408  9.187888e-03        True native_MD        10        57
   OH_TTR_1    O_TTR_8     1 1.580361e-04 7.896145e-08 ; 0.281693  7.907470e-02     0.002154        0.000931      0.001408  9.187921e-03        True native_MD        10        59
-  OH_TTR_1   CA_TTR_9     1 3.780674e-03 1.367709e-05 ; 0.391806  2.612672e-01     0.465722        0.002328      0.004451  7.728900e-03       False fibril_MD        10        61
-  OH_TTR_1   CB_TTR_9     1 8.351602e-04 6.469031e-07 ; 0.303048  2.695506e-01     0.497307        0.002254      0.004451  8.855656e-03       False fibril_MD        10        62
-  OH_TTR_1   CG_TTR_9     1 9.503070e-04 8.158717e-07 ; 0.308290  2.767235e-01     0.479497        0.002496      0.004451  1.080864e-02       False fibril_MD        10        63
-  OH_TTR_1   CD_TTR_9     1 3.364538e-03 1.181103e-05 ; 0.389847  2.396089e-01     0.218042        0.001973      0.004451  1.016443e-02       False fibril_MD        10        64
-  OH_TTR_1    C_TTR_9     1 2.222719e-03 5.284253e-06 ; 0.365328  2.337361e-01     0.178964        0.001005      0.004451  1.097420e-02       False fibril_MD        10        65
-  OH_TTR_1    O_TTR_9     1 6.042203e-04 4.597035e-07 ; 0.302144  1.985422e-01     0.080896        0.000828      0.004451  1.097437e-02       False fibril_MD        10        66
-  OH_TTR_1   N_TTR_10     1 1.066648e-03 1.567823e-06 ; 0.337194  1.814201e-01     0.054975        0.000749      0.004451  1.097429e-02       False fibril_MD        10        67
-  OH_TTR_1  CA_TTR_10     1 5.773413e-03 2.987595e-05 ; 0.415893  2.789225e-01     0.493929        0.001997      0.004451  1.101891e-02       False fibril_MD        10        68
-  OH_TTR_1  CB_TTR_10     1 2.248706e-03 4.120937e-06 ; 0.349819  3.067675e-01     0.733171        0.001889      0.004451  1.341188e-02       False fibril_MD        10        69
-  OH_TTR_1  CG_TTR_10     1 2.752481e-03 9.022771e-06 ; 0.385421  2.099176e-01     0.109202        0.001379      0.004451  1.031431e-02       False fibril_MD        10        70
-  OH_TTR_1 CD1_TTR_10     1 1.658662e-03 3.236232e-06 ; 0.353493  2.125280e-01     0.121011        0.001450      0.004451  9.710643e-03       False fibril_MD        10        71
-  OH_TTR_1 CD2_TTR_10     1 1.658662e-03 3.236232e-06 ; 0.353493  2.125280e-01     0.121011        0.001450      0.004451  9.710643e-03       False fibril_MD        10        72
+  OH_TTR_1   CA_TTR_9     1 3.780674e-03 1.367709e-05 ; 0.391806  2.612672e-01     0.465722        0.002886      0.004451  7.728900e-03       False fibril_MD        10        61
+  OH_TTR_1   CB_TTR_9     1 8.351602e-04 6.469031e-07 ; 0.303048  2.695506e-01     0.497307        0.002642      0.004451  8.855656e-03       False fibril_MD        10        62
+  OH_TTR_1   CG_TTR_9     1 9.503070e-04 8.158717e-07 ; 0.308290  2.767235e-01     0.479497        0.002947      0.004451  1.080864e-02       False fibril_MD        10        63
+  OH_TTR_1   CD_TTR_9     1 3.364538e-03 1.181103e-05 ; 0.389847  2.396089e-01     0.218042        0.002464      0.004451  1.016443e-02       False fibril_MD        10        64
+  OH_TTR_1    C_TTR_9     1 2.222719e-03 5.284253e-06 ; 0.365328  2.337361e-01     0.178964        0.001187      0.004451  1.097420e-02       False fibril_MD        10        65
+  OH_TTR_1    O_TTR_9     1 6.042203e-04 4.597035e-07 ; 0.302144  1.985422e-01     0.080896        0.001025      0.004451  1.097437e-02       False fibril_MD        10        66
+  OH_TTR_1   N_TTR_10     1 1.066648e-03 1.567823e-06 ; 0.337194  1.814201e-01     0.054975        0.000891      0.004451  1.097429e-02       False fibril_MD        10        67
+  OH_TTR_1  CA_TTR_10     1 5.773413e-03 2.987595e-05 ; 0.415893  2.789225e-01     0.493929        0.002570      0.004451  1.101891e-02       False fibril_MD        10        68
+  OH_TTR_1  CB_TTR_10     1 2.248706e-03 4.120937e-06 ; 0.349819  3.067675e-01     0.733171        0.002257      0.004451  1.341188e-02       False fibril_MD        10        69
+  OH_TTR_1  CG_TTR_10     1 2.752481e-03 9.022771e-06 ; 0.385421  2.099176e-01     0.109202        0.001510      0.004451  1.031431e-02       False fibril_MD        10        70
+  OH_TTR_1 CD1_TTR_10     1 1.658662e-03 3.236232e-06 ; 0.353493  2.125280e-01     0.121011        0.001871      0.004451  9.710643e-03       False fibril_MD        10        71
+  OH_TTR_1 CD2_TTR_10     1 1.658662e-03 3.236232e-06 ; 0.353493  2.125280e-01     0.121011        0.001871      0.004451  9.710643e-03       False fibril_MD        10        72
   OH_TTR_1 CE1_TTR_10     1 2.077502e-04 1.306652e-07 ; 0.292709  8.257774e-02     0.002539        0.002224      0.001408  9.187671e-03        True native_MD        10        73
   OH_TTR_1 CE2_TTR_10     1 2.077502e-04 1.306652e-07 ; 0.292709  8.257774e-02     0.002539        0.002224      0.001408  9.187671e-03        True native_MD        10        74
   OH_TTR_1  OH_TTR_10     1 8.689848e-05 2.307125e-08 ; 0.253519  8.182637e-02     0.002451        0.001900      0.001408  9.187888e-03        True native_MD        10        76
-  OH_TTR_1   C_TTR_10     1 1.732640e-03 2.974225e-06 ; 0.346028  2.523382e-01     0.272290        0.000853      0.004451  1.097420e-02       False fibril_MD        10        77
-  OH_TTR_1   O_TTR_10     1 3.201004e-04 1.161409e-07 ; 0.267065  2.205602e-01     0.132942        0.000899      0.004451  1.097437e-02       False fibril_MD        10        78
-  OH_TTR_1   N_TTR_11     1 1.209796e-03 1.462760e-06 ; 0.326395  2.501447e-01     0.259141        0.000563      0.004451  1.097429e-02       False fibril_MD        10        79
-  OH_TTR_1  CA_TTR_11     1 2.835170e-03 6.964639e-06 ; 0.367327  2.885357e-01     0.738107        0.002413      0.004451  9.302608e-03       False fibril_MD        10        80
-  OH_TTR_1  CB_TTR_11     1 2.417998e-03 5.048884e-06 ; 0.357511  2.895052e-01     0.744515        0.002131      0.004451  9.422297e-03       False fibril_MD        10        81
-  OH_TTR_1  OG_TTR_11     1 3.620685e-04 1.151654e-07 ; 0.261269  2.845767e-01     0.563512        0.001261      0.004451  1.097435e-02       False fibril_MD        10        82
-  OH_TTR_1   C_TTR_11     1 8.326779e-04 6.406354e-07 ; 0.302707  2.705722e-01     0.558676        0.001357      0.004451  8.077650e-03       False fibril_MD        10        83
-  OH_TTR_1  O1_TTR_11     1 1.882361e-04 3.270490e-08 ; 0.236221  2.708525e-01     0.413456        0.001001      0.004451  1.097441e-02       False fibril_MD        10        84
-  OH_TTR_1  O2_TTR_11     1 1.882361e-04 3.270490e-08 ; 0.236221  2.708525e-01     0.413456        0.001001      0.004451  1.097441e-02       False fibril_MD        10        85
-   C_TTR_1    C_TTR_1     1 7.067911e-03 4.232207e-05 ; 0.426134  2.950905e-01     0.714384        0.000007      0.004451  1.097406e-02       False fibril_MD        11        11
-   C_TTR_1    O_TTR_1     1 1.464008e-03 1.731094e-06 ; 0.325184  3.095326e-01     0.989531        0.000027      0.004451  1.097422e-02       False fibril_MD        11        12
-   C_TTR_1    N_TTR_2     1 2.847371e-03 6.546192e-06 ; 0.363293  3.096274e-01     0.991658        0.000007      0.004451  1.097414e-02       False fibril_MD        11        13
-   C_TTR_1   CA_TTR_2     1 8.561063e-03 6.120722e-05 ; 0.438914  2.993593e-01     0.996742        0.000030      0.004451  8.926971e-03       False fibril_MD        11        14
-   C_TTR_1   CB_TTR_2     1 7.202367e-03 4.352415e-05 ; 0.426785  2.979615e-01     0.964408        0.000121      0.004451  8.926971e-03       False fibril_MD        11        15
-   C_TTR_1  OG1_TTR_2     1 1.162919e-03 2.669891e-06 ; 0.363210  1.266326e-01     0.047084        0.000030      0.004451  2.411251e-04       False fibril_MD        11        16
-   C_TTR_1  CG2_TTR_2     1 2.689714e-03 1.231197e-05 ; 0.407477  1.469009e-01     0.109522        0.000183      0.004451  2.411251e-04       False fibril_MD        11        17
-   C_TTR_1    C_TTR_2     1 6.792008e-03 4.063276e-05 ; 0.426069  2.838312e-01     0.554129        0.000000      0.004451  1.097406e-02       False fibril_MD        11        18
-   C_TTR_1    O_TTR_2     1 1.716739e-03 3.731625e-06 ; 0.359914  1.974470e-01     0.899125        0.000007      0.004451  2.411251e-04       False fibril_MD        11        19
-   C_TTR_1    N_TTR_3     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        11        20
-   C_TTR_1   CA_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000259        0.000005      0.004451  2.411251e-04       False fibril_MD        11        21
-   C_TTR_1   CB_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000044        0.000021      0.004451  2.411251e-04       False fibril_MD        11        22
-   C_TTR_1  CG1_TTR_3     1 2.653001e-03 2.210067e-05 ; 0.450241  7.961767e-02     0.006644        0.000045      0.004451  2.411251e-04       False fibril_MD        11        23
-   C_TTR_1  CG2_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000336        0.000071      0.004451  2.411251e-04       False fibril_MD        11        24
-   C_TTR_1   CD_TTR_3     1 2.423065e-03 1.314345e-05 ; 0.419171  1.116762e-01     0.025254        0.000139      0.004451  2.411251e-04       False fibril_MD        11        25
-   C_TTR_1    C_TTR_3     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        11        26
-   C_TTR_1    O_TTR_3     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000012      0.004451  2.411251e-04       False fibril_MD        11        27
+  OH_TTR_1   C_TTR_10     1 1.732640e-03 2.974225e-06 ; 0.346028  2.523382e-01     0.272290        0.001131      0.004451  1.097420e-02       False fibril_MD        10        77
+  OH_TTR_1   O_TTR_10     1 3.201004e-04 1.161409e-07 ; 0.267065  2.205602e-01     0.132942        0.001141      0.004451  1.097437e-02       False fibril_MD        10        78
+  OH_TTR_1   N_TTR_11     1 1.209796e-03 1.462760e-06 ; 0.326395  2.501447e-01     0.259141        0.000768      0.004451  1.097429e-02       False fibril_MD        10        79
+  OH_TTR_1  CA_TTR_11     1 2.835170e-03 6.964639e-06 ; 0.367327  2.885357e-01     0.738107        0.002979      0.004451  9.302608e-03       False fibril_MD        10        80
+  OH_TTR_1  CB_TTR_11     1 2.417998e-03 5.048884e-06 ; 0.357511  2.895052e-01     0.744515        0.002565      0.004451  9.422297e-03       False fibril_MD        10        81
+  OH_TTR_1  OG_TTR_11     1 3.620685e-04 1.151654e-07 ; 0.261269  2.845767e-01     0.563512        0.001513      0.004451  1.097435e-02       False fibril_MD        10        82
+  OH_TTR_1   C_TTR_11     1 8.326779e-04 6.406354e-07 ; 0.302707  2.705722e-01     0.558676        0.001778      0.004451  8.077650e-03       False fibril_MD        10        83
+  OH_TTR_1  O1_TTR_11     1 1.882361e-04 3.270490e-08 ; 0.236221  2.708525e-01     0.413456        0.001294      0.004451  1.097441e-02       False fibril_MD        10        84
+  OH_TTR_1  O2_TTR_11     1 1.882361e-04 3.270490e-08 ; 0.236221  2.708525e-01     0.413456        0.001294      0.004451  1.097441e-02       False fibril_MD        10        85
+   C_TTR_1    C_TTR_1     1 7.067911e-03 4.232207e-05 ; 0.426134  2.950905e-01     0.714384        0.000098      0.004451  1.097406e-02       False fibril_MD        11        11
+   C_TTR_1    O_TTR_1     1 1.464008e-03 1.731094e-06 ; 0.325184  3.095326e-01     0.989531        0.000246      0.004451  1.097422e-02       False fibril_MD        11        12
+   C_TTR_1    N_TTR_2     1 2.847371e-03 6.546192e-06 ; 0.363293  3.096274e-01     0.991658        0.000078      0.004451  1.097414e-02       False fibril_MD        11        13
+   C_TTR_1   CA_TTR_2     1 8.561063e-03 6.120722e-05 ; 0.438914  2.993593e-01     0.996742        0.000613      0.004451  8.926971e-03       False fibril_MD        11        14
+   C_TTR_1   CB_TTR_2     1 7.202367e-03 4.352415e-05 ; 0.426785  2.979615e-01     0.964408        0.001497      0.004451  8.926971e-03       False fibril_MD        11        15
+   C_TTR_1  OG1_TTR_2     1 9.487285e-04 2.178141e-06 ; 0.363210  1.033090e-01     0.047084        0.000637      0.004451  2.411251e-04       False fibril_MD        11        16
+   C_TTR_1  CG2_TTR_2     1 1.892070e-03 8.660815e-06 ; 0.407477  1.033369e-01     0.109522        0.001480      0.004451  2.411251e-04       False fibril_MD        11        17
+   C_TTR_1    C_TTR_2     1 6.792008e-03 4.063276e-05 ; 0.426069  2.838312e-01     0.554129        0.000068      0.004451  1.097406e-02       False fibril_MD        11        18
+   C_TTR_1    O_TTR_2     1 1.716739e-03 3.731625e-06 ; 0.359914  1.974470e-01     0.899125        0.000217      0.004451  2.411251e-04       False fibril_MD        11        19
+   C_TTR_1    N_TTR_3     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000031      0.004451  2.411251e-04       False fibril_MD        11        20
+   C_TTR_1   CA_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000259        0.000539      0.004451  2.411251e-04       False fibril_MD        11        21
+   C_TTR_1   CB_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000044        0.001161      0.004451  2.411251e-04       False fibril_MD        11        22
+   C_TTR_1  CG1_TTR_3     1 0.000000e+00 5.721532e-05 ; 0.443057 -5.721532e-05     0.006644        0.001167      0.004451  2.411251e-04       False fibril_MD        11        23
+   C_TTR_1  CG2_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000336        0.001242      0.004451  2.411251e-04       False fibril_MD        11        24
+   C_TTR_1   CD_TTR_3     1 0.000000e+00 3.835050e-05 ; 0.428530 -3.835050e-05     0.025254        0.001788      0.004451  2.411251e-04       False fibril_MD        11        25
+   C_TTR_1    C_TTR_3     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000054      0.004451  2.411251e-04       False fibril_MD        11        26
+   C_TTR_1    O_TTR_3     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000168      0.004451  2.411251e-04       False fibril_MD        11        27
    C_TTR_1    O_TTR_4     1 3.116382e-04 2.467749e-07 ; 0.304164  9.838759e-02     0.005330        0.006788      0.001408  9.187704e-03        True native_MD        11        32
    C_TTR_1   CG_TTR_6     1 1.760174e-03 7.919706e-06 ; 0.406311  9.780080e-02     0.005763        0.002996      0.001408  6.281093e-03        True native_MD        11        41
    C_TTR_1   CB_TTR_8     1 4.805037e-04 7.608659e-07 ; 0.341404  7.586218e-02     0.001873        0.002208      0.001408  7.688303e-03        True native_MD        11        56
-   C_TTR_1 CE1_TTR_10     1 3.229422e-03 1.220128e-05 ; 0.394651  2.136900e-01     0.113856        0.000887      0.004451  1.097406e-02       False fibril_MD        11        73
-   C_TTR_1 CE2_TTR_10     1 3.229422e-03 1.220128e-05 ; 0.394651  2.136900e-01     0.113856        0.000887      0.004451  1.097406e-02       False fibril_MD        11        74
-   C_TTR_1  CZ_TTR_10     1 3.178790e-03 1.161406e-05 ; 0.392452  2.175101e-01     0.124104        0.000765      0.004451  1.097406e-02       False fibril_MD        11        75
-   C_TTR_1  OH_TTR_10     1 1.278483e-03 1.756648e-06 ; 0.333425  2.326191e-01     0.184802        0.000911      0.004451  1.022747e-02       False fibril_MD        11        76
-   C_TTR_1  CA_TTR_11     1 7.860122e-03 8.949993e-05 ; 0.474314  1.725742e-01     0.050059        0.000689      0.004451  8.926971e-03       False fibril_MD        11        80
-   C_TTR_1  CB_TTR_11     1 4.606151e-03 2.187986e-05 ; 0.410000  2.424219e-01     0.236987        0.001044      0.004451  9.945448e-03       False fibril_MD        11        81
-   C_TTR_1  OG_TTR_11     1 8.291548e-04 6.518952e-07 ; 0.303802  2.636535e-01     0.351480        0.000609      0.004451  1.097420e-02       False fibril_MD        11        82
-   C_TTR_1   C_TTR_11     1 2.079842e-03 1.419408e-05 ; 0.435525  7.618919e-02     0.005118        0.000329      0.004451  1.097406e-02       False fibril_MD        11        83
-   C_TTR_1  O1_TTR_11     1 1.910148e-03 4.939706e-06 ; 0.370486  1.846600e-01     0.059144        0.000227      0.004451  1.097427e-02       False fibril_MD        11        84
-   C_TTR_1  O2_TTR_11     1 1.910148e-03 4.939706e-06 ; 0.370486  1.846600e-01     0.059144        0.000227      0.004451  1.097427e-02       False fibril_MD        11        85
-   O_TTR_1    O_TTR_1     1 4.781914e-03 2.947791e-05 ; 0.428202  1.939308e-01     0.776634        0.000091      0.004451  2.411251e-04       False fibril_MD        12        12
-   O_TTR_1    N_TTR_2     1 3.113748e-04 7.820264e-08 ; 0.251183  3.099457e-01     0.998787        0.000011      0.004451  1.097431e-02       False fibril_MD        12        13
-   O_TTR_1   CA_TTR_2     1 1.493037e-03 1.860888e-06 ; 0.328051  2.994752e-01     0.999455        0.000033      0.004451  8.927106e-03       False fibril_MD        12        14
-   O_TTR_1   CB_TTR_2     1 8.470397e-04 8.971922e-07 ; 0.319274  1.999227e-01     0.996785        0.000190      0.004451  2.411251e-04       False fibril_MD        12        15
-   O_TTR_1  OG1_TTR_2     1 4.927533e-04 3.394442e-07 ; 0.297182  1.788260e-01     0.413989        0.000041      0.004451  2.411251e-04       False fibril_MD        12        16
-   O_TTR_1  CG2_TTR_2     1 6.961818e-04 7.448655e-07 ; 0.319810  1.626700e-01     0.211225        0.000204      0.004451  2.411251e-04       False fibril_MD        12        17
-   O_TTR_1    C_TTR_2     1 1.264545e-03 2.012146e-06 ; 0.341681  1.986776e-01     0.946412        0.000001      0.004451  2.411251e-04       False fibril_MD        12        18
-   O_TTR_1    O_TTR_2     1 3.745562e-04 1.753729e-07 ; 0.278660  1.999915e-01     0.999646        0.000078      0.004451  2.411251e-04       False fibril_MD        12        19
-   O_TTR_1    N_TTR_3     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.001527        0.000000      0.004451  2.411251e-04       False fibril_MD        12        20
-   O_TTR_1   CA_TTR_3     1 2.428985e-03 1.758562e-05 ; 0.439834  8.387489e-02     0.007933        0.000035      0.004451  2.411251e-04       False fibril_MD        12        21
-   O_TTR_1   CB_TTR_3     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.001188        0.000068      0.004451  2.411251e-04       False fibril_MD        12        22
-   O_TTR_1  CG1_TTR_3     1 1.262692e-03 3.029724e-06 ; 0.365890  1.315625e-01     0.057816        0.000075      0.004451  2.411251e-04       False fibril_MD        12        23
-   O_TTR_1  CG2_TTR_3     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000570        0.000093      0.004451  2.411251e-04       False fibril_MD        12        24
-   O_TTR_1   CD_TTR_3     1 7.264966e-04 1.078113e-06 ; 0.337732  1.223891e-01     0.039456        0.000167      0.004451  2.411251e-04       False fibril_MD        12        25
-   O_TTR_1    C_TTR_3     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000016      0.004451  2.411251e-04       False fibril_MD        12        26
+   C_TTR_1 CE1_TTR_10     1 3.229422e-03 1.220128e-05 ; 0.394651  2.136900e-01     0.113856        0.001063      0.004451  1.097406e-02       False fibril_MD        11        73
+   C_TTR_1 CE2_TTR_10     1 3.229422e-03 1.220128e-05 ; 0.394651  2.136900e-01     0.113856        0.001063      0.004451  1.097406e-02       False fibril_MD        11        74
+   C_TTR_1  CZ_TTR_10     1 3.178790e-03 1.161406e-05 ; 0.392452  2.175101e-01     0.124104        0.001014      0.004451  1.097406e-02       False fibril_MD        11        75
+   C_TTR_1  OH_TTR_10     1 1.278483e-03 1.756648e-06 ; 0.333425  2.326191e-01     0.184802        0.001176      0.004451  1.022747e-02       False fibril_MD        11        76
+   C_TTR_1  CA_TTR_11     1 7.860122e-03 8.949993e-05 ; 0.474314  1.725742e-01     0.050059        0.000933      0.004451  8.926971e-03       False fibril_MD        11        80
+   C_TTR_1  CB_TTR_11     1 4.606151e-03 2.187986e-05 ; 0.410000  2.424219e-01     0.236987        0.001290      0.004451  9.945448e-03       False fibril_MD        11        81
+   C_TTR_1  OG_TTR_11     1 8.291548e-04 6.518952e-07 ; 0.303802  2.636535e-01     0.351480        0.000806      0.004451  1.097420e-02       False fibril_MD        11        82
+   C_TTR_1   C_TTR_11     1 2.079842e-03 1.419408e-05 ; 0.435525  7.618919e-02     0.005118        0.000366      0.004451  1.097406e-02       False fibril_MD        11        83
+   C_TTR_1  O1_TTR_11     1 1.910148e-03 4.939706e-06 ; 0.370486  1.846600e-01     0.059144        0.000337      0.004451  1.097427e-02       False fibril_MD        11        84
+   C_TTR_1  O2_TTR_11     1 1.910148e-03 4.939706e-06 ; 0.370486  1.846600e-01     0.059144        0.000337      0.004451  1.097427e-02       False fibril_MD        11        85
+   O_TTR_1    O_TTR_1     1 4.263321e-03 2.628106e-05 ; 0.428202  1.728993e-01     0.776634        0.000579      0.004451  2.411251e-04       False fibril_MD        12        12
+   O_TTR_1    N_TTR_2     1 3.113748e-04 7.820264e-08 ; 0.251183  3.099457e-01     0.998787        0.000157      0.004451  1.097431e-02       False fibril_MD        12        13
+   O_TTR_1   CA_TTR_2     1 1.493037e-03 1.860888e-06 ; 0.328051  2.994752e-01     0.999455        0.000686      0.004451  8.927106e-03       False fibril_MD        12        14
+   O_TTR_1   CB_TTR_2     1 6.689214e-04 7.085277e-07 ; 0.319274  1.578823e-01     0.996785        0.001389      0.004451  2.411251e-04       False fibril_MD        12        15
+   O_TTR_1  OG1_TTR_2     1 4.252425e-04 2.929378e-07 ; 0.297182  1.543256e-01     0.413989        0.000669      0.004451  2.411251e-04       False fibril_MD        12        16
+   O_TTR_1  CG2_TTR_2     1 5.264394e-04 5.632531e-07 ; 0.319810  1.230079e-01     0.211225        0.001258      0.004451  2.411251e-04       False fibril_MD        12        17
+   O_TTR_1    C_TTR_2     1 1.264545e-03 2.012146e-06 ; 0.341681  1.986776e-01     0.946412        0.000137      0.004451  2.411251e-04       False fibril_MD        12        18
+   O_TTR_1    O_TTR_2     1 3.211379e-04 1.503617e-07 ; 0.278660  1.714692e-01     0.999646        0.000791      0.004451  2.411251e-04       False fibril_MD        12        19
+   O_TTR_1    N_TTR_3     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.001527        0.000096      0.004451  2.411251e-04       False fibril_MD        12        20
+   O_TTR_1   CA_TTR_3     1 0.000000e+00 3.402736e-05 ; 0.424280 -3.402736e-05     0.007933        0.000578      0.004451  2.411251e-04       False fibril_MD        12        21
+   O_TTR_1   CB_TTR_3     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.001188        0.001187      0.004451  2.411251e-04       False fibril_MD        12        22
+   O_TTR_1  CG1_TTR_3     1 8.946409e-04 2.146616e-06 ; 0.365890  9.321444e-02     0.057816        0.001191      0.004451  2.411251e-04       False fibril_MD        12        23
+   O_TTR_1  CG2_TTR_3     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000570        0.001114      0.004451  2.411251e-04       False fibril_MD        12        24
+   O_TTR_1   CD_TTR_3     1 4.637276e-04 6.881669e-07 ; 0.337732  7.812177e-02     0.039456        0.001524      0.004451  2.411251e-04       False fibril_MD        12        25
+   O_TTR_1    C_TTR_3     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000137      0.004451  2.411251e-04       False fibril_MD        12        26
    O_TTR_1    O_TTR_3     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        12        27
    O_TTR_1    O_TTR_4     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        12        32
    O_TTR_1    O_TTR_5     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        12        37
@@ -706,177 +706,177 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
    O_TTR_1   CB_TTR_8     1 2.192827e-04 1.586373e-07 ; 0.299617  7.577807e-02     0.001865        0.001867      0.001408  7.688518e-03        True native_MD        12        56
    O_TTR_1    O_TTR_8     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        12        59
    O_TTR_1    O_TTR_9     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        12        66
-   O_TTR_1  CZ_TTR_10     1 1.082726e-03 1.568933e-06 ; 0.336394  1.867981e-01     0.062067        0.000923      0.004451  1.097422e-02       False fibril_MD        12        75
-   O_TTR_1  OH_TTR_10     1 3.423285e-04 1.507191e-07 ; 0.275817  1.943828e-01     0.091910        0.000938      0.004451  7.686211e-03       False fibril_MD        12        76
+   O_TTR_1  CZ_TTR_10     1 1.082726e-03 1.568933e-06 ; 0.336394  1.867981e-01     0.062067        0.001057      0.004451  1.097422e-02       False fibril_MD        12        75
+   O_TTR_1  OH_TTR_10     1 3.423285e-04 1.507191e-07 ; 0.275817  1.943828e-01     0.091910        0.001071      0.004451  7.686211e-03       False fibril_MD        12        76
    O_TTR_1   O_TTR_10     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        12        78
-   O_TTR_1  CA_TTR_11     1 2.553553e-03 1.086368e-05 ; 0.402537  1.500559e-01     0.029427        0.000639      0.004451  8.927106e-03       False fibril_MD        12        80
-   O_TTR_1  CB_TTR_11     1 1.546773e-03 2.689892e-06 ; 0.346778  2.223608e-01     0.149235        0.000858      0.004451  9.945599e-03       False fibril_MD        12        81
-   O_TTR_1  OG_TTR_11     1 4.416835e-04 1.867871e-07 ; 0.273972  2.611052e-01     0.331838        0.000541      0.004451  1.097437e-02       False fibril_MD        12        82
-   O_TTR_1  O1_TTR_11     1 8.047775e-04 1.452850e-06 ; 0.348945  1.114476e-01     0.099903        0.000963      0.004451  2.411251e-04       False fibril_MD        12        84
-   O_TTR_1  O2_TTR_11     1 8.047775e-04 1.452850e-06 ; 0.348945  1.114476e-01     0.099903        0.000963      0.004451  2.411251e-04       False fibril_MD        12        85
-   N_TTR_2    N_TTR_2     1 2.266217e-03 8.836044e-06 ; 0.396728  1.453065e-01     0.024340        0.000000      0.004451  1.097423e-02       False fibril_MD        13        13
-   N_TTR_2   CA_TTR_2     1 6.727692e-03 3.782285e-05 ; 0.421678  2.991700e-01     0.992291        0.000020      0.004451  8.927042e-03       False fibril_MD        13        14
-   N_TTR_2   CB_TTR_2     1 9.645331e-03 7.880273e-05 ; 0.448784  2.951433e-01     0.902361        0.000068      0.004451  8.927042e-03       False fibril_MD        13        15
-   N_TTR_2  OG1_TTR_2     1 1.188650e-03 2.615088e-06 ; 0.360638  1.350709e-01     0.019321        0.000048      0.004451  1.097429e-02       False fibril_MD        13        16
-   N_TTR_2  CG2_TTR_2     1 4.204295e-03 2.161978e-05 ; 0.415457  2.043973e-01     0.092324        0.000104      0.004451  1.097367e-02       False fibril_MD        13        17
-   N_TTR_2    C_TTR_2     1 2.004531e-03 1.064872e-05 ; 0.417716  9.433397e-02     0.007707        0.000000      0.004451  1.097414e-02       False fibril_MD        13        18
-   N_TTR_2    O_TTR_2     1 2.708129e-03 6.167125e-06 ; 0.362718  2.973006e-01     0.750888        0.000005      0.004451  1.097431e-02       False fibril_MD        13        19
-   N_TTR_2   CA_TTR_3     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000005      0.004451  2.411251e-04       False fibril_MD        13        21
-   N_TTR_2   CB_TTR_3     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000054        0.000020      0.004451  2.411251e-04       False fibril_MD        13        22
-   N_TTR_2  CG1_TTR_3     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000295        0.000021      0.004451  2.411251e-04       False fibril_MD        13        23
-   N_TTR_2  CG2_TTR_3     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000174        0.000037      0.004451  2.411251e-04       False fibril_MD        13        24
-   N_TTR_2   CD_TTR_3     1 2.106950e-03 1.104821e-05 ; 0.416811  1.004515e-01     0.015823        0.000059      0.004451  2.411251e-04       False fibril_MD        13        25
-   N_TTR_2    C_TTR_3     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000005      0.004451  2.411251e-04       False fibril_MD        13        26
-   N_TTR_2    O_TTR_3     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000010      0.004451  2.411251e-04       False fibril_MD        13        27
-   N_TTR_2    N_TTR_4     1 0.000000e+00 8.752940e-07 ; 0.312737 -8.752940e-07     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        13        28
-   N_TTR_2   CA_TTR_4     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000058      0.004451  2.411251e-04       False fibril_MD        13        29
-   N_TTR_2   CB_TTR_4     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000000        0.000189      0.004451  2.411251e-04       False fibril_MD        13        30
-   N_TTR_2    C_TTR_4     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000004      0.004451  2.411251e-04       False fibril_MD        13        31
-   N_TTR_2    O_TTR_4     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000010      0.004451  2.411251e-04       False fibril_MD        13        32
-   N_TTR_2  CZ_TTR_10     1 2.654716e-03 1.136171e-05 ; 0.402937  1.550716e-01     0.030339        0.000375      0.004451  1.097414e-02       False fibril_MD        13        75
-   N_TTR_2  OH_TTR_10     1 1.153664e-03 1.510686e-06 ; 0.330762  2.202541e-01     0.150163        0.000528      0.004451  9.246392e-03       False fibril_MD        13        76
-   N_TTR_2  CA_TTR_11     1 4.976315e-03 4.838907e-05 ; 0.461998  1.279406e-01     0.017464        0.000362      0.004451  8.927042e-03       False fibril_MD        13        80
-   N_TTR_2  CB_TTR_11     1 4.426673e-03 2.300129e-05 ; 0.416178  2.129820e-01     0.120219        0.000613      0.004451  9.945528e-03       False fibril_MD        13        81
-   N_TTR_2  OG_TTR_11     1 1.310076e-03 1.590610e-06 ; 0.326621  2.697551e-01     0.403350        0.000329      0.004451  1.097429e-02       False fibril_MD        13        82
-  CA_TTR_2   CA_TTR_2     1 7.086732e-03 4.329630e-05 ; 0.427564  2.899888e-01     0.999740        0.000133      0.004451  7.281617e-03       False fibril_MD        14        14
-  CA_TTR_2   CB_TTR_2     1 5.598206e-03 2.701769e-05 ; 0.411087  2.899943e-01     0.999877        0.000520      0.004451  7.281617e-03       False fibril_MD        14        15
-  CA_TTR_2  OG1_TTR_2     1 4.207541e-03 1.528728e-05 ; 0.392088  2.895119e-01     0.790089        0.000200      0.004451  8.927088e-03       False fibril_MD        14        16
-  CA_TTR_2  CG2_TTR_2     1 5.837079e-03 2.846188e-05 ; 0.411792  2.992730e-01     0.994764        0.000541      0.004451  8.926588e-03       False fibril_MD        14        17
-  CA_TTR_2    C_TTR_2     1 5.184042e-03 2.243398e-05 ; 0.403682  2.994819e-01     0.999630        0.000016      0.004451  8.926971e-03       False fibril_MD        14        18
-  CA_TTR_2    O_TTR_2     1 8.553723e-04 6.107600e-07 ; 0.298964  2.994883e-01     0.999763        0.000033      0.004451  8.927106e-03       False fibril_MD        14        19
-  CA_TTR_2    N_TTR_3     1 1.124126e-02 1.067278e-04 ; 0.460162  2.960005e-01     0.920795        0.000008      0.004451  8.927042e-03       False fibril_MD        14        20
-  CA_TTR_2   CA_TTR_3     1 2.811820e-02 6.816918e-04 ; 0.537981  2.899526e-01     0.998850        0.000071      0.004451  7.281617e-03       False fibril_MD        14        21
-  CA_TTR_2   CB_TTR_3     1 2.296656e-02 7.014982e-04 ; 0.559099  1.879773e-01     0.606071        0.000202      0.004451  2.411251e-04       False fibril_MD        14        22
-  CA_TTR_2  CG1_TTR_3     1 1.383738e-02 2.935655e-04 ; 0.526149  1.630581e-01     0.233252        0.000262      0.004451  2.411251e-04       False fibril_MD        14        23
-  CA_TTR_2  CG2_TTR_3     1 1.109641e-02 1.978203e-04 ; 0.511110  1.556089e-01     0.157405        0.000215      0.004451  2.411251e-04       False fibril_MD        14        24
-  CA_TTR_2   CD_TTR_3     1 6.565339e-03 8.244822e-05 ; 0.482119  1.306992e-01     0.112647        0.000487      0.004451  2.411251e-04       False fibril_MD        14        25
-  CA_TTR_2    C_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000016        0.000007      0.004451  2.411251e-04       False fibril_MD        14        26
-  CA_TTR_2    O_TTR_3     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.001586        0.000058      0.004451  2.411251e-04       False fibril_MD        14        27
-  CA_TTR_2    N_TTR_4     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000007      0.004451  2.411251e-04       False fibril_MD        14        28
-  CA_TTR_2   CA_TTR_4     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000000        0.000346      0.004451  2.411251e-04       False fibril_MD        14        29
-  CA_TTR_2   CB_TTR_4     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000000        0.000493      0.004451  2.411251e-04       False fibril_MD        14        30
-  CA_TTR_2    C_TTR_4     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000045      0.004451  2.411251e-04       False fibril_MD        14        31
-  CA_TTR_2    O_TTR_4     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000070      0.004451  2.411251e-04       False fibril_MD        14        32
+   O_TTR_1  CA_TTR_11     1 2.553553e-03 1.086368e-05 ; 0.402537  1.500559e-01     0.029427        0.000955      0.004451  8.927106e-03       False fibril_MD        12        80
+   O_TTR_1  CB_TTR_11     1 1.546773e-03 2.689892e-06 ; 0.346778  2.223608e-01     0.149235        0.001124      0.004451  9.945599e-03       False fibril_MD        12        81
+   O_TTR_1  OG_TTR_11     1 4.416835e-04 1.867871e-07 ; 0.273972  2.611052e-01     0.331838        0.000815      0.004451  1.097437e-02       False fibril_MD        12        82
+   O_TTR_1  O1_TTR_11     1 7.793687e-04 1.406980e-06 ; 0.348945  1.079289e-01     0.099903        0.001115      0.004451  2.411251e-04       False fibril_MD        12        84
+   O_TTR_1  O2_TTR_11     1 7.793687e-04 1.406980e-06 ; 0.348945  1.079289e-01     0.099903        0.001115      0.004451  2.411251e-04       False fibril_MD        12        85
+   N_TTR_2    N_TTR_2     1 2.266217e-03 8.836044e-06 ; 0.396728  1.453065e-01     0.024340        0.000005      0.004451  1.097423e-02       False fibril_MD        13        13
+   N_TTR_2   CA_TTR_2     1 6.727692e-03 3.782285e-05 ; 0.421678  2.991700e-01     0.992291        0.000229      0.004451  8.927042e-03       False fibril_MD        13        14
+   N_TTR_2   CB_TTR_2     1 9.645331e-03 7.880273e-05 ; 0.448784  2.951433e-01     0.902361        0.000765      0.004451  8.927042e-03       False fibril_MD        13        15
+   N_TTR_2  OG1_TTR_2     1 1.188650e-03 2.615088e-06 ; 0.360638  1.350709e-01     0.019321        0.000333      0.004451  1.097429e-02       False fibril_MD        13        16
+   N_TTR_2  CG2_TTR_2     1 4.204295e-03 2.161978e-05 ; 0.415457  2.043973e-01     0.092324        0.000793      0.004451  1.097367e-02       False fibril_MD        13        17
+   N_TTR_2    C_TTR_2     1 2.004531e-03 1.064872e-05 ; 0.417716  9.433397e-02     0.007707        0.000026      0.004451  1.097414e-02       False fibril_MD        13        18
+   N_TTR_2    O_TTR_2     1 2.708129e-03 6.167125e-06 ; 0.362718  2.973006e-01     0.750888        0.000143      0.004451  1.097431e-02       False fibril_MD        13        19
+   N_TTR_2   CA_TTR_3     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000190      0.004451  2.411251e-04       False fibril_MD        13        21
+   N_TTR_2   CB_TTR_3     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000054        0.000411      0.004451  2.411251e-04       False fibril_MD        13        22
+   N_TTR_2  CG1_TTR_3     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000295        0.000529      0.004451  2.411251e-04       False fibril_MD        13        23
+   N_TTR_2  CG2_TTR_3     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000174        0.000611      0.004451  2.411251e-04       False fibril_MD        13        24
+   N_TTR_2   CD_TTR_3     1 0.000000e+00 1.962493e-05 ; 0.405260 -1.962493e-05     0.015823        0.001044      0.004451  2.411251e-04       False fibril_MD        13        25
+   N_TTR_2    C_TTR_3     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000013      0.004451  2.411251e-04       False fibril_MD        13        26
+   N_TTR_2    O_TTR_3     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000083      0.004451  2.411251e-04       False fibril_MD        13        27
+   N_TTR_2    N_TTR_4     1 0.000000e+00 8.752940e-07 ; 0.312737 -8.752940e-07     0.000000        0.000016      0.004451  2.411251e-04       False fibril_MD        13        28
+   N_TTR_2   CA_TTR_4     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000454      0.004451  2.411251e-04       False fibril_MD        13        29
+   N_TTR_2   CB_TTR_4     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000000        0.000862      0.004451  2.411251e-04       False fibril_MD        13        30
+   N_TTR_2    C_TTR_4     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000047      0.004451  2.411251e-04       False fibril_MD        13        31
+   N_TTR_2    O_TTR_4     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000093      0.004451  2.411251e-04       False fibril_MD        13        32
+   N_TTR_2  CZ_TTR_10     1 2.654716e-03 1.136171e-05 ; 0.402937  1.550716e-01     0.030339        0.000489      0.004451  1.097414e-02       False fibril_MD        13        75
+   N_TTR_2  OH_TTR_10     1 1.153664e-03 1.510686e-06 ; 0.330762  2.202541e-01     0.150163        0.000750      0.004451  9.246392e-03       False fibril_MD        13        76
+   N_TTR_2  CA_TTR_11     1 4.976315e-03 4.838907e-05 ; 0.461998  1.279406e-01     0.017464        0.000441      0.004451  8.927042e-03       False fibril_MD        13        80
+   N_TTR_2  CB_TTR_11     1 4.426673e-03 2.300129e-05 ; 0.416178  2.129820e-01     0.120219        0.000688      0.004451  9.945528e-03       False fibril_MD        13        81
+   N_TTR_2  OG_TTR_11     1 1.310076e-03 1.590610e-06 ; 0.326621  2.697551e-01     0.403350        0.000404      0.004451  1.097429e-02       False fibril_MD        13        82
+  CA_TTR_2   CA_TTR_2     1 7.086732e-03 4.329630e-05 ; 0.427564  2.899888e-01     0.999740        0.000949      0.004451  7.281617e-03       False fibril_MD        14        14
+  CA_TTR_2   CB_TTR_2     1 5.598206e-03 2.701769e-05 ; 0.411087  2.899943e-01     0.999877        0.002824      0.004451  7.281617e-03       False fibril_MD        14        15
+  CA_TTR_2  OG1_TTR_2     1 4.207541e-03 1.528728e-05 ; 0.392088  2.895119e-01     0.790089        0.001218      0.004451  8.927088e-03       False fibril_MD        14        16
+  CA_TTR_2  CG2_TTR_2     1 5.837079e-03 2.846188e-05 ; 0.411792  2.992730e-01     0.994764        0.002572      0.004451  8.926588e-03       False fibril_MD        14        17
+  CA_TTR_2    C_TTR_2     1 5.184042e-03 2.243398e-05 ; 0.403682  2.994819e-01     0.999630        0.000267      0.004451  8.926971e-03       False fibril_MD        14        18
+  CA_TTR_2    O_TTR_2     1 8.553723e-04 6.107600e-07 ; 0.298964  2.994883e-01     0.999763        0.000525      0.004451  8.927106e-03       False fibril_MD        14        19
+  CA_TTR_2    N_TTR_3     1 1.124126e-02 1.067278e-04 ; 0.460162  2.960005e-01     0.920795        0.000116      0.004451  8.927042e-03       False fibril_MD        14        20
+  CA_TTR_2   CA_TTR_3     1 2.811820e-02 6.816918e-04 ; 0.537981  2.899526e-01     0.998850        0.001473      0.004451  7.281617e-03       False fibril_MD        14        21
+  CA_TTR_2   CB_TTR_3     1 1.591105e-02 4.859922e-04 ; 0.559099  1.302291e-01     0.606071        0.002672      0.004451  2.411251e-04       False fibril_MD        14        22
+  CA_TTR_2  CG1_TTR_3     1 9.270231e-03 1.966717e-04 ; 0.526149  1.092394e-01     0.233252        0.002465      0.004451  2.411251e-04       False fibril_MD        14        23
+  CA_TTR_2  CG2_TTR_3     1 7.157944e-03 1.276076e-04 ; 0.511110  1.003784e-01     0.157405        0.002406      0.004451  2.411251e-04       False fibril_MD        14        24
+  CA_TTR_2   CD_TTR_3     1 4.186392e-03 5.257316e-05 ; 0.482119  8.334044e-02     0.112647        0.003501      0.004451  2.411251e-04       False fibril_MD        14        25
+  CA_TTR_2    C_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000016        0.000282      0.004451  2.411251e-04       False fibril_MD        14        26
+  CA_TTR_2    O_TTR_3     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.001586        0.000437      0.004451  2.411251e-04       False fibril_MD        14        27
+  CA_TTR_2    N_TTR_4     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000244      0.004451  2.411251e-04       False fibril_MD        14        28
+  CA_TTR_2   CA_TTR_4     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000000        0.002484      0.004451  2.411251e-04       False fibril_MD        14        29
+  CA_TTR_2   CB_TTR_4     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000000        0.002786      0.004451  2.411251e-04       False fibril_MD        14        30
+  CA_TTR_2    C_TTR_4     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000358      0.004451  2.411251e-04       False fibril_MD        14        31
+  CA_TTR_2    O_TTR_4     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000472      0.004451  2.411251e-04       False fibril_MD        14        32
   CA_TTR_2   CA_TTR_8     1 3.411068e-03 3.209708e-05 ; 0.459476  9.062651e-02     0.004352        0.003582      0.001408  4.204789e-03        True native_MD        14        55
   CA_TTR_2    C_TTR_8     1 1.108678e-03 4.059018e-06 ; 0.392587  7.570597e-02     0.001880        0.000211      0.001408  6.281093e-03        True native_MD        14        58
   CA_TTR_2    O_TTR_8     1 2.146135e-04 1.520956e-07 ; 0.298591  7.570721e-02     0.001880        0.000312      0.001408  6.281274e-03        True native_MD        14        59
-  CA_TTR_2   CA_TTR_9     1 2.912440e-02 7.551261e-04 ; 0.544035  2.808241e-01     0.712523        0.001899      0.004451  8.106503e-03       False fibril_MD        14        61
-  CA_TTR_2   CB_TTR_9     1 1.350730e-02 1.554157e-04 ; 0.475139  2.934823e-01     0.967373        0.001974      0.004451  8.099101e-03       False fibril_MD        14        62
-  CA_TTR_2   CG_TTR_9     1 1.823079e-02 2.948946e-04 ; 0.502895  2.817631e-01     0.729520        0.002517      0.004451  8.099101e-03       False fibril_MD        14        63
-  CA_TTR_2    C_TTR_9     1 6.310172e-03 9.521989e-05 ; 0.497105  1.045429e-01     0.010439        0.000413      0.004451  7.187429e-03       False fibril_MD        14        65
-  CA_TTR_2  CA_TTR_10     1 2.859596e-02 9.330337e-04 ; 0.565282  2.191049e-01     0.173483        0.001640      0.004451  7.348543e-03       False fibril_MD        14        68
+  CA_TTR_2   CA_TTR_9     1 2.912440e-02 7.551261e-04 ; 0.544035  2.808241e-01     0.712523        0.002413      0.004451  8.106503e-03       False fibril_MD        14        61
+  CA_TTR_2   CB_TTR_9     1 1.350730e-02 1.554157e-04 ; 0.475139  2.934823e-01     0.967373        0.002690      0.004451  8.099101e-03       False fibril_MD        14        62
+  CA_TTR_2   CG_TTR_9     1 1.823079e-02 2.948946e-04 ; 0.502895  2.817631e-01     0.729520        0.003347      0.004451  8.099101e-03       False fibril_MD        14        63
+  CA_TTR_2    C_TTR_9     1 6.310172e-03 9.521989e-05 ; 0.497105  1.045429e-01     0.010439        0.000385      0.004451  7.187429e-03       False fibril_MD        14        65
+  CA_TTR_2  CA_TTR_10     1 2.859596e-02 9.330337e-04 ; 0.565282  2.191049e-01     0.173483        0.002013      0.004451  7.348543e-03       False fibril_MD        14        68
   CA_TTR_2 CE1_TTR_10     1 1.973743e-03 1.084980e-05 ; 0.420102  8.976349e-02     0.003834        0.003070      0.001408  6.281093e-03        True native_MD        14        73
   CA_TTR_2 CE2_TTR_10     1 1.973743e-03 1.084980e-05 ; 0.420102  8.976349e-02     0.003834        0.003070      0.001408  6.281093e-03        True native_MD        14        74
-  CA_TTR_2  CZ_TTR_10     1 9.023279e-03 1.006890e-04 ; 0.472719  2.021560e-01     0.089777        0.001799      0.004451  1.060485e-02       False fibril_MD        14        75
-  CA_TTR_2  OH_TTR_10     1 3.019785e-03 8.982867e-06 ; 0.379233  2.537916e-01     0.260840        0.001773      0.004451  1.191715e-02       False fibril_MD        14        76
-  CA_TTR_2   C_TTR_10     1 1.276633e-02 1.827920e-04 ; 0.492775  2.229027e-01     0.164124        0.000398      0.004451  8.926971e-03       False fibril_MD        14        77
-  CA_TTR_2   O_TTR_10     1 7.005982e-03 4.700193e-05 ; 0.434285  2.610732e-01     0.403905        0.000523      0.004451  8.927106e-03       False fibril_MD        14        78
-  CA_TTR_2   N_TTR_11     1 5.757592e-03 6.249189e-05 ; 0.470541  1.326167e-01     0.019501        0.000225      0.004451  8.927042e-03       False fibril_MD        14        79
-  CA_TTR_2  CA_TTR_11     1 2.709144e-02 6.468388e-04 ; 0.536612  2.836665e-01     0.855676        0.002209      0.004451  7.281617e-03       False fibril_MD        14        80
-  CA_TTR_2  CB_TTR_11     1 1.602009e-02 2.208756e-04 ; 0.489682  2.904841e-01     0.899913        0.002351      0.004451  8.099766e-03       False fibril_MD        14        81
-  CA_TTR_2  OG_TTR_11     1 3.425159e-03 1.007679e-05 ; 0.378536  2.910579e-01     0.819439        0.001254      0.004451  8.927088e-03       False fibril_MD        14        82
-  CB_TTR_2   CB_TTR_2     1 5.133217e-03 2.271671e-05 ; 0.405191  2.899839e-01     0.999620        0.000662      0.004451  7.281617e-03       False fibril_MD        15        15
-  CB_TTR_2  OG1_TTR_2     1 2.257602e-03 4.265883e-06 ; 0.351609  2.986936e-01     0.981196        0.000376      0.004451  8.927088e-03       False fibril_MD        15        16
-  CB_TTR_2  CG2_TTR_2     1 4.090431e-03 1.397052e-05 ; 0.388067  2.994096e-01     0.997974        0.000825      0.004451  8.926588e-03       False fibril_MD        15        17
-  CB_TTR_2    C_TTR_2     1 1.194881e-02 1.193715e-04 ; 0.464083  2.990119e-01     0.988606        0.000058      0.004451  8.926971e-03       False fibril_MD        15        18
-  CB_TTR_2    O_TTR_2     1 3.271370e-03 8.939534e-06 ; 0.373908  2.992847e-01     0.994972        0.000069      0.004451  8.927106e-03       False fibril_MD        15        19
-  CB_TTR_2    N_TTR_3     1 1.026591e-02 9.136090e-05 ; 0.455226  2.883864e-01     0.769388        0.000066      0.004451  8.927042e-03       False fibril_MD        15        20
-  CB_TTR_2   CA_TTR_3     1 2.284172e-02 7.067926e-04 ; 0.560308  1.845464e-01     0.618785        0.000284      0.004451  2.411251e-04       False fibril_MD        15        21
-  CB_TTR_2   CB_TTR_3     1 1.352339e-02 4.479743e-04 ; 0.566710  1.020606e-01     0.039155        0.000558      0.004451  2.411251e-04       False fibril_MD        15        22
-  CB_TTR_2  CG1_TTR_3     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000902        0.000616      0.004451  2.411251e-04       False fibril_MD        15        23
-  CB_TTR_2  CG2_TTR_3     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.002616        0.000533      0.004451  2.411251e-04       False fibril_MD        15        24
-  CB_TTR_2   CD_TTR_3     1 0.000000e+00 4.747582e-04 ; 0.528493 -4.747582e-04     0.006117        0.000921      0.004451  2.411251e-04       False fibril_MD        15        25
-  CB_TTR_2    C_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000894        0.000092      0.004451  2.411251e-04       False fibril_MD        15        26
-  CB_TTR_2    O_TTR_3     1 2.757881e-03 2.191308e-05 ; 0.446706  8.677359e-02     0.008951        0.000149      0.004451  2.411251e-04       False fibril_MD        15        27
-  CB_TTR_2    N_TTR_4     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000036      0.004451  2.411251e-04       False fibril_MD        15        28
-  CB_TTR_2   CA_TTR_4     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000000        0.000693      0.004451  2.411251e-04       False fibril_MD        15        29
-  CB_TTR_2   CB_TTR_4     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000000        0.000841      0.004451  2.411251e-04       False fibril_MD        15        30
-  CB_TTR_2    C_TTR_4     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000235      0.004451  2.411251e-04       False fibril_MD        15        31
-  CB_TTR_2    O_TTR_4     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000182      0.004451  2.411251e-04       False fibril_MD        15        32
+  CA_TTR_2  CZ_TTR_10     1 9.023279e-03 1.006890e-04 ; 0.472719  2.021560e-01     0.089777        0.002315      0.004451  1.060485e-02       False fibril_MD        14        75
+  CA_TTR_2  OH_TTR_10     1 3.019785e-03 8.982867e-06 ; 0.379233  2.537916e-01     0.260840        0.002279      0.004451  1.191715e-02       False fibril_MD        14        76
+  CA_TTR_2   C_TTR_10     1 1.276633e-02 1.827920e-04 ; 0.492775  2.229027e-01     0.164124        0.000478      0.004451  8.926971e-03       False fibril_MD        14        77
+  CA_TTR_2   O_TTR_10     1 7.005982e-03 4.700193e-05 ; 0.434285  2.610732e-01     0.403905        0.000677      0.004451  8.927106e-03       False fibril_MD        14        78
+  CA_TTR_2   N_TTR_11     1 5.757592e-03 6.249189e-05 ; 0.470541  1.326167e-01     0.019501        0.000265      0.004451  8.927042e-03       False fibril_MD        14        79
+  CA_TTR_2  CA_TTR_11     1 2.709144e-02 6.468388e-04 ; 0.536612  2.836665e-01     0.855676        0.002711      0.004451  7.281617e-03       False fibril_MD        14        80
+  CA_TTR_2  CB_TTR_11     1 1.602009e-02 2.208756e-04 ; 0.489682  2.904841e-01     0.899913        0.002844      0.004451  8.099766e-03       False fibril_MD        14        81
+  CA_TTR_2  OG_TTR_11     1 3.425159e-03 1.007679e-05 ; 0.378536  2.910579e-01     0.819439        0.001585      0.004451  8.927088e-03       False fibril_MD        14        82
+  CB_TTR_2   CB_TTR_2     1 5.133217e-03 2.271671e-05 ; 0.405191  2.899839e-01     0.999620        0.002558      0.004451  7.281617e-03       False fibril_MD        15        15
+  CB_TTR_2  OG1_TTR_2     1 2.257602e-03 4.265883e-06 ; 0.351609  2.986936e-01     0.981196        0.001551      0.004451  8.927088e-03       False fibril_MD        15        16
+  CB_TTR_2  CG2_TTR_2     1 4.090431e-03 1.397052e-05 ; 0.388067  2.994096e-01     0.997974        0.002897      0.004451  8.926588e-03       False fibril_MD        15        17
+  CB_TTR_2    C_TTR_2     1 1.194881e-02 1.193715e-04 ; 0.464083  2.990119e-01     0.988606        0.000948      0.004451  8.926971e-03       False fibril_MD        15        18
+  CB_TTR_2    O_TTR_2     1 3.271370e-03 8.939534e-06 ; 0.373908  2.992847e-01     0.994972        0.001133      0.004451  8.927106e-03       False fibril_MD        15        19
+  CB_TTR_2    N_TTR_3     1 1.026591e-02 9.136090e-05 ; 0.455226  2.883864e-01     0.769388        0.000492      0.004451  8.927042e-03       False fibril_MD        15        20
+  CB_TTR_2   CA_TTR_3     1 1.578822e-02 4.885358e-04 ; 0.560308  1.275587e-01     0.618785        0.003049      0.004451  2.411251e-04       False fibril_MD        15        21
+  CB_TTR_2   CB_TTR_3     1 0.000000e+00 1.311115e-03 ; 0.575179 -1.311115e-03     0.039155        0.004276      0.004451  2.411251e-04       False fibril_MD        15        22
+  CB_TTR_2  CG1_TTR_3     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000902        0.003756      0.004451  2.411251e-04       False fibril_MD        15        23
+  CB_TTR_2  CG2_TTR_3     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.002616        0.003300      0.004451  2.411251e-04       False fibril_MD        15        24
+  CB_TTR_2   CD_TTR_3     1 0.000000e+00 4.747582e-04 ; 0.528493 -4.747582e-04     0.006117        0.004513      0.004451  2.411251e-04       False fibril_MD        15        25
+  CB_TTR_2    C_TTR_3     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000894        0.000999      0.004451  2.411251e-04       False fibril_MD        15        26
+  CB_TTR_2    O_TTR_3     1 0.000000e+00 8.306989e-05 ; 0.457039 -8.306989e-05     0.008951        0.001051      0.004451  2.411251e-04       False fibril_MD        15        27
+  CB_TTR_2    N_TTR_4     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000775      0.004451  2.411251e-04       False fibril_MD        15        28
+  CB_TTR_2   CA_TTR_4     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000000        0.004096      0.004451  2.411251e-04       False fibril_MD        15        29
+  CB_TTR_2   CB_TTR_4     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000000        0.003800      0.004451  2.411251e-04       False fibril_MD        15        30
+  CB_TTR_2    C_TTR_4     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.001157      0.004451  2.411251e-04       False fibril_MD        15        31
+  CB_TTR_2    O_TTR_4     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.001007      0.004451  2.411251e-04       False fibril_MD        15        32
   CB_TTR_2    C_TTR_6     1 1.005137e-03 3.175764e-06 ; 0.383063  7.953200e-02     0.002282        0.002854      0.001408  6.281093e-03        True native_MD        15        44
   CB_TTR_2    O_TTR_6     1 3.238828e-04 3.126254e-07 ; 0.314369  8.388642e-02     0.002846        0.003163      0.001408  6.281274e-03        True native_MD        15        45
   CB_TTR_2    C_TTR_7     1 1.582900e-03 7.851393e-06 ; 0.412967  7.978112e-02     0.002311        0.001865      0.001408  6.281093e-03        True native_MD        15        52
   CB_TTR_2    O_TTR_7     1 4.190535e-04 5.749806e-07 ; 0.333348  7.635292e-02     0.001943        0.002324      0.001408  6.281274e-03        True native_MD        15        53
   CB_TTR_2   OG_TTR_8     1 4.501515e-04 6.856133e-07 ; 0.339198  7.388874e-02     0.001714        0.005160      0.001408  6.281250e-03        True native_MD        15        57
   CB_TTR_2    O_TTR_8     1 3.661220e-04 4.426188e-07 ; 0.326388  7.571148e-02     0.001880        0.000919      0.001408  6.281274e-03        True native_MD        15        59
-  CB_TTR_2   CA_TTR_9     1 1.296440e-02 1.430115e-04 ; 0.471813  2.938150e-01     0.998302        0.002985      0.004451  7.931094e-03       False fibril_MD        15        61
-  CB_TTR_2   CB_TTR_9     1 5.344183e-03 2.421529e-05 ; 0.406788  2.948581e-01     0.999959        0.002823      0.004451  8.099101e-03       False fibril_MD        15        62
-  CB_TTR_2   CG_TTR_9     1 1.375074e-02 1.649032e-04 ; 0.478429  2.866572e-01     0.957209        0.003360      0.004451  7.027226e-03       False fibril_MD        15        63
-  CB_TTR_2   CD_TTR_9     1 9.897891e-03 2.161220e-04 ; 0.528680  1.133252e-01     0.012124        0.002389      0.004451  9.796263e-03       False fibril_MD        15        64
-  CB_TTR_2    C_TTR_9     1 9.126376e-03 7.210700e-05 ; 0.446286  2.887748e-01     0.922223        0.001045      0.004451  7.627962e-03       False fibril_MD        15        65
-  CB_TTR_2    O_TTR_9     1 4.616125e-03 1.983995e-05 ; 0.403222  2.685063e-01     0.587562        0.000960      0.004451  7.302092e-03       False fibril_MD        15        66
-  CB_TTR_2   N_TTR_10     1 6.130458e-03 3.185917e-05 ; 0.416189  2.949112e-01     0.897433        0.000739      0.004451  8.927042e-03       False fibril_MD        15        67
-  CB_TTR_2  CA_TTR_10     1 1.399481e-02 1.643946e-04 ; 0.476782  2.978423e-01     0.992703        0.002756      0.004451  8.681765e-03       False fibril_MD        15        68
-  CB_TTR_2  CB_TTR_10     1 1.818591e-02 4.202391e-04 ; 0.533696  1.967494e-01     0.099882        0.002755      0.004451  7.382247e-03       False fibril_MD        15        69
+  CB_TTR_2   CA_TTR_9     1 1.296440e-02 1.430115e-04 ; 0.471813  2.938150e-01     0.998302        0.003872      0.004451  7.931094e-03       False fibril_MD        15        61
+  CB_TTR_2   CB_TTR_9     1 5.344183e-03 2.421529e-05 ; 0.406788  2.948581e-01     0.999959        0.003778      0.004451  8.099101e-03       False fibril_MD        15        62
+  CB_TTR_2   CG_TTR_9     1 1.375074e-02 1.649032e-04 ; 0.478429  2.866572e-01     0.957209        0.004485      0.004451  7.027226e-03       False fibril_MD        15        63
+  CB_TTR_2   CD_TTR_9     1 9.897891e-03 2.161220e-04 ; 0.528680  1.133252e-01     0.012124        0.003295      0.004451  9.796263e-03       False fibril_MD        15        64
+  CB_TTR_2    C_TTR_9     1 9.126376e-03 7.210700e-05 ; 0.446286  2.887748e-01     0.922223        0.001278      0.004451  7.627962e-03       False fibril_MD        15        65
+  CB_TTR_2    O_TTR_9     1 4.616125e-03 1.983995e-05 ; 0.403222  2.685063e-01     0.587562        0.001154      0.004451  7.302092e-03       False fibril_MD        15        66
+  CB_TTR_2   N_TTR_10     1 6.130458e-03 3.185917e-05 ; 0.416189  2.949112e-01     0.897433        0.000867      0.004451  8.927042e-03       False fibril_MD        15        67
+  CB_TTR_2  CA_TTR_10     1 1.399481e-02 1.643946e-04 ; 0.476782  2.978423e-01     0.992703        0.003459      0.004451  8.681765e-03       False fibril_MD        15        68
+  CB_TTR_2  CB_TTR_10     1 1.818591e-02 4.202391e-04 ; 0.533696  1.967494e-01     0.099882        0.003315      0.004451  7.382247e-03       False fibril_MD        15        69
   CB_TTR_2 CD1_TTR_10     1 1.029307e-03 3.309134e-06 ; 0.384174  8.004156e-02     0.002342        0.003430      0.001408  6.281093e-03        True native_MD        15        71
   CB_TTR_2 CD2_TTR_10     1 1.029307e-03 3.309134e-06 ; 0.384174  8.004156e-02     0.002342        0.003430      0.001408  6.281093e-03        True native_MD        15        72
   CB_TTR_2 CE1_TTR_10     1 9.700810e-04 2.605260e-06 ; 0.372827  9.030356e-02     0.003941        0.004326      0.001408  6.281093e-03        True native_MD        15        73
   CB_TTR_2 CE2_TTR_10     1 9.700810e-04 2.605260e-06 ; 0.372827  9.030356e-02     0.003941        0.004326      0.001408  6.281093e-03        True native_MD        15        74
   CB_TTR_2  CZ_TTR_10     1 1.450314e-03 6.364184e-06 ; 0.404619  8.262689e-02     0.002670        0.005352      0.001408  6.281093e-03        True native_MD        15        75
-  CB_TTR_2  OH_TTR_10     1 2.801091e-03 2.589079e-05 ; 0.458110  7.576157e-02     0.005083        0.002432      0.004451  9.962675e-03       False fibril_MD        15        76
-  CB_TTR_2   C_TTR_10     1 4.144254e-03 1.434866e-05 ; 0.388950  2.992412e-01     0.993970        0.001172      0.004451  8.926971e-03       False fibril_MD        15        77
-  CB_TTR_2   O_TTR_10     1 1.045638e-03 9.162889e-07 ; 0.309344  2.983119e-01     0.972396        0.001032      0.004451  8.927106e-03       False fibril_MD        15        78
-  CB_TTR_2   N_TTR_11     1 6.073977e-03 3.102387e-05 ; 0.414990  2.972968e-01     0.949393        0.000662      0.004451  8.927042e-03       False fibril_MD        15        79
-  CB_TTR_2  CA_TTR_11     1 8.013609e-03 5.536162e-05 ; 0.436412  2.899930e-01     0.999845        0.003934      0.004451  7.281617e-03       False fibril_MD        15        80
-  CB_TTR_2  CB_TTR_11     1 5.942206e-03 2.995695e-05 ; 0.414087  2.946713e-01     0.995379        0.003458      0.004451  8.099766e-03       False fibril_MD        15        81
-  CB_TTR_2  OG_TTR_11     1 1.080002e-03 9.813853e-07 ; 0.311221  2.971319e-01     0.945700        0.001913      0.004451  8.927088e-03       False fibril_MD        15        82
-  CB_TTR_2   C_TTR_11     1 7.374903e-03 9.894163e-05 ; 0.487458  1.374275e-01     0.021845        0.002101      0.004451  8.926971e-03       False fibril_MD        15        83
- OG1_TTR_2  OG1_TTR_2     1 4.312862e-04 1.946707e-07 ; 0.276963  2.388749e-01     0.200961        0.000097      0.004451  1.097435e-02       False fibril_MD        16        16
- OG1_TTR_2  CG2_TTR_2     1 1.183133e-03 1.229167e-06 ; 0.318246  2.847057e-01     0.565189        0.000449      0.004451  1.097373e-02       False fibril_MD        16        17
- OG1_TTR_2    C_TTR_2     1 2.469873e-03 7.191863e-06 ; 0.377886  2.120548e-01     0.109731        0.000007      0.004451  1.097420e-02       False fibril_MD        16        18
- OG1_TTR_2    O_TTR_2     1 4.512576e-04 3.233993e-07 ; 0.299148  1.574164e-01     0.169713        0.000028      0.004451  2.411251e-04       False fibril_MD        16        19
- OG1_TTR_2    N_TTR_3     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.001589        0.000015      0.004451  2.411251e-04       False fibril_MD        16        20
- OG1_TTR_2   CA_TTR_3     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.004130        0.000104      0.004451  2.411251e-04       False fibril_MD        16        21
- OG1_TTR_2   CB_TTR_3     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000000        0.000189      0.004451  2.411251e-04       False fibril_MD        16        22
- OG1_TTR_2  CG1_TTR_3     1 0.000000e+00 2.783506e-06 ; 0.344389 -2.783506e-06     0.000000        0.000220      0.004451  2.411251e-04       False fibril_MD        16        23
- OG1_TTR_2  CG2_TTR_3     1 0.000000e+00 2.076926e-06 ; 0.336087 -2.076926e-06     0.000000        0.000196      0.004451  2.411251e-04       False fibril_MD        16        24
- OG1_TTR_2   CD_TTR_3     1 0.000000e+00 2.076926e-06 ; 0.336087 -2.076926e-06     0.000000        0.000379      0.004451  2.411251e-04       False fibril_MD        16        25
- OG1_TTR_2    C_TTR_3     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000031      0.004451  2.411251e-04       False fibril_MD        16        26
- OG1_TTR_2    O_TTR_3     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000000        0.000097      0.004451  2.411251e-04       False fibril_MD        16        27
- OG1_TTR_2    N_TTR_4     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000000        0.000022      0.004451  2.411251e-04       False fibril_MD        16        28
- OG1_TTR_2   CA_TTR_4     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000000        0.000266      0.004451  2.411251e-04       False fibril_MD        16        29
- OG1_TTR_2   CB_TTR_4     1 0.000000e+00 2.076926e-06 ; 0.336087 -2.076926e-06     0.000000        0.000332      0.004451  2.411251e-04       False fibril_MD        16        30
- OG1_TTR_2    C_TTR_4     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000080      0.004451  2.411251e-04       False fibril_MD        16        31
- OG1_TTR_2    O_TTR_4     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000000        0.000096      0.004451  2.411251e-04       False fibril_MD        16        32
+  CB_TTR_2  OH_TTR_10     1 2.801091e-03 2.589079e-05 ; 0.458110  7.576157e-02     0.005083        0.003044      0.004451  9.962675e-03       False fibril_MD        15        76
+  CB_TTR_2   C_TTR_10     1 4.144254e-03 1.434866e-05 ; 0.388950  2.992412e-01     0.993970        0.001326      0.004451  8.926971e-03       False fibril_MD        15        77
+  CB_TTR_2   O_TTR_10     1 1.045638e-03 9.162889e-07 ; 0.309344  2.983119e-01     0.972396        0.001252      0.004451  8.927106e-03       False fibril_MD        15        78
+  CB_TTR_2   N_TTR_11     1 6.073977e-03 3.102387e-05 ; 0.414990  2.972968e-01     0.949393        0.000835      0.004451  8.927042e-03       False fibril_MD        15        79
+  CB_TTR_2  CA_TTR_11     1 8.013609e-03 5.536162e-05 ; 0.436412  2.899930e-01     0.999845        0.004722      0.004451  7.281617e-03       False fibril_MD        15        80
+  CB_TTR_2  CB_TTR_11     1 5.942206e-03 2.995695e-05 ; 0.414087  2.946713e-01     0.995379        0.003937      0.004451  8.099766e-03       False fibril_MD        15        81
+  CB_TTR_2  OG_TTR_11     1 1.080002e-03 9.813853e-07 ; 0.311221  2.971319e-01     0.945700        0.002349      0.004451  8.927088e-03       False fibril_MD        15        82
+  CB_TTR_2   C_TTR_11     1 7.374903e-03 9.894163e-05 ; 0.487458  1.374275e-01     0.021845        0.002469      0.004451  8.926971e-03       False fibril_MD        15        83
+ OG1_TTR_2  OG1_TTR_2     1 4.312862e-04 1.946707e-07 ; 0.276963  2.388749e-01     0.200961        0.000459      0.004451  1.097435e-02       False fibril_MD        16        16
+ OG1_TTR_2  CG2_TTR_2     1 1.183133e-03 1.229167e-06 ; 0.318246  2.847057e-01     0.565189        0.001537      0.004451  1.097373e-02       False fibril_MD        16        17
+ OG1_TTR_2    C_TTR_2     1 2.469873e-03 7.191863e-06 ; 0.377886  2.120548e-01     0.109731        0.000398      0.004451  1.097420e-02       False fibril_MD        16        18
+ OG1_TTR_2    O_TTR_2     1 3.961503e-04 2.839059e-07 ; 0.299148  1.381928e-01     0.169713        0.000537      0.004451  2.411251e-04       False fibril_MD        16        19
+ OG1_TTR_2    N_TTR_3     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.001589        0.000230      0.004451  2.411251e-04       False fibril_MD        16        20
+ OG1_TTR_2   CA_TTR_3     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.004130        0.001138      0.004451  2.411251e-04       False fibril_MD        16        21
+ OG1_TTR_2   CB_TTR_3     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000000        0.001509      0.004451  2.411251e-04       False fibril_MD        16        22
+ OG1_TTR_2  CG1_TTR_3     1 0.000000e+00 2.783506e-06 ; 0.344389 -2.783506e-06     0.000000        0.001461      0.004451  2.411251e-04       False fibril_MD        16        23
+ OG1_TTR_2  CG2_TTR_3     1 0.000000e+00 2.076926e-06 ; 0.336087 -2.076926e-06     0.000000        0.001410      0.004451  2.411251e-04       False fibril_MD        16        24
+ OG1_TTR_2   CD_TTR_3     1 0.000000e+00 2.076926e-06 ; 0.336087 -2.076926e-06     0.000000        0.001868      0.004451  2.411251e-04       False fibril_MD        16        25
+ OG1_TTR_2    C_TTR_3     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000430      0.004451  2.411251e-04       False fibril_MD        16        26
+ OG1_TTR_2    O_TTR_3     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000000        0.000498      0.004451  2.411251e-04       False fibril_MD        16        27
+ OG1_TTR_2    N_TTR_4     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000000        0.000347      0.004451  2.411251e-04       False fibril_MD        16        28
+ OG1_TTR_2   CA_TTR_4     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000000        0.001623      0.004451  2.411251e-04       False fibril_MD        16        29
+ OG1_TTR_2   CB_TTR_4     1 0.000000e+00 2.076926e-06 ; 0.336087 -2.076926e-06     0.000000        0.001744      0.004451  2.411251e-04       False fibril_MD        16        30
+ OG1_TTR_2    C_TTR_4     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000521      0.004451  2.411251e-04       False fibril_MD        16        31
+ OG1_TTR_2    O_TTR_4     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000000        0.000546      0.004451  2.411251e-04       False fibril_MD        16        32
  OG1_TTR_2  CD1_TTR_6     1 3.793437e-04 3.300008e-07 ; 0.308968  1.090161e-01     0.008774        0.005338      0.001408  9.186961e-03        True native_MD        16        42
  OG1_TTR_2  CD2_TTR_6     1 3.793437e-04 3.300008e-07 ; 0.308968  1.090161e-01     0.008774        0.005338      0.001408  9.186961e-03        True native_MD        16        43
  OG1_TTR_2   CA_TTR_8     1 3.531637e-04 3.691289e-07 ; 0.318567  8.447224e-02     0.002932        0.002556      0.001408  6.281250e-03        True native_MD        16        55
  OG1_TTR_2   CB_TTR_8     1 2.118882e-04 1.399854e-07 ; 0.295118  8.018084e-02     0.002311        0.003843      0.001408  7.688490e-03        True native_MD        16        56
- OG1_TTR_2   CA_TTR_9     1 2.050645e-03 5.465361e-06 ; 0.372353  1.923543e-01     0.079828        0.001139      0.004451  8.927088e-03       False fibril_MD        16        61
- OG1_TTR_2   CB_TTR_9     1 7.048286e-04 6.254816e-07 ; 0.309995  1.985604e-01     0.086220        0.001232      0.004451  9.944751e-03       False fibril_MD        16        62
- OG1_TTR_2   CG_TTR_9     1 6.000838e-04 5.411442e-07 ; 0.310826  1.663607e-01     0.046382        0.001502      0.004451  7.714895e-03       False fibril_MD        16        63
- OG1_TTR_2   CD_TTR_9     1 2.979949e-03 1.597238e-05 ; 0.418338  1.389914e-01     0.022339        0.001077      0.004451  9.311153e-03       False fibril_MD        16        64
- OG1_TTR_2    C_TTR_9     1 7.838378e-04 8.487380e-07 ; 0.320448  1.809751e-01     0.054426        0.000406      0.004451  1.097420e-02       False fibril_MD        16        65
- OG1_TTR_2    O_TTR_9     1 1.778303e-04 4.571445e-08 ; 0.252159  1.729411e-01     0.045403        0.000423      0.004451  1.097437e-02       False fibril_MD        16        66
- OG1_TTR_2   N_TTR_10     1 1.227621e-03 2.091158e-06 ; 0.345584  1.801699e-01     0.053446        0.000268      0.004451  1.097429e-02       False fibril_MD        16        67
- OG1_TTR_2  CA_TTR_10     1 6.916631e-03 4.264260e-05 ; 0.428211  2.804694e-01     0.638296        0.001055      0.004451  8.927088e-03       False fibril_MD        16        68
+ OG1_TTR_2   CA_TTR_9     1 2.050645e-03 5.465361e-06 ; 0.372353  1.923543e-01     0.079828        0.001460      0.004451  8.927088e-03       False fibril_MD        16        61
+ OG1_TTR_2   CB_TTR_9     1 7.048286e-04 6.254816e-07 ; 0.309995  1.985604e-01     0.086220        0.001549      0.004451  9.944751e-03       False fibril_MD        16        62
+ OG1_TTR_2   CG_TTR_9     1 6.000838e-04 5.411442e-07 ; 0.310826  1.663607e-01     0.046382        0.001853      0.004451  7.714895e-03       False fibril_MD        16        63
+ OG1_TTR_2   CD_TTR_9     1 2.979949e-03 1.597238e-05 ; 0.418338  1.389914e-01     0.022339        0.001361      0.004451  9.311153e-03       False fibril_MD        16        64
+ OG1_TTR_2    C_TTR_9     1 7.838378e-04 8.487380e-07 ; 0.320448  1.809751e-01     0.054426        0.000540      0.004451  1.097420e-02       False fibril_MD        16        65
+ OG1_TTR_2    O_TTR_9     1 1.778303e-04 4.571445e-08 ; 0.252159  1.729411e-01     0.045403        0.000594      0.004451  1.097437e-02       False fibril_MD        16        66
+ OG1_TTR_2   N_TTR_10     1 1.227621e-03 2.091158e-06 ; 0.345584  1.801699e-01     0.053446        0.000346      0.004451  1.097429e-02       False fibril_MD        16        67
+ OG1_TTR_2  CA_TTR_10     1 6.916631e-03 4.264260e-05 ; 0.428211  2.804694e-01     0.638296        0.001319      0.004451  8.927088e-03       False fibril_MD        16        68
  OG1_TTR_2 CE1_TTR_10     1 3.036052e-04 2.742472e-07 ; 0.310913  8.402649e-02     0.002718        0.001971      0.001408  9.187671e-03        True native_MD        16        73
  OG1_TTR_2 CE2_TTR_10     1 3.036052e-04 2.742472e-07 ; 0.310913  8.402649e-02     0.002718        0.001971      0.001408  9.187671e-03        True native_MD        16        74
  OG1_TTR_2  CZ_TTR_10     1 3.384062e-04 3.686991e-07 ; 0.320779  7.765056e-02     0.002015        0.002128      0.001408  9.187671e-03        True native_MD        16        75
  OG1_TTR_2  OH_TTR_10     1 7.059865e-05 1.608545e-08 ; 0.247138  7.746392e-02     0.001998        0.002314      0.001408  9.187888e-03        True native_MD        16        76
- OG1_TTR_2   C_TTR_10     1 1.611764e-03 2.141611e-06 ; 0.331568  3.032510e-01     0.858781        0.000436      0.004451  1.097420e-02       False fibril_MD        16        77
- OG1_TTR_2   O_TTR_10     1 2.360950e-04 4.595806e-08 ; 0.240739  3.032158e-01     0.858084        0.000509      0.004451  1.097437e-02       False fibril_MD        16        78
- OG1_TTR_2   N_TTR_11     1 1.366677e-03 1.573604e-06 ; 0.323746  2.967404e-01     0.741458        0.000325      0.004451  1.097429e-02       False fibril_MD        16        79
- OG1_TTR_2  CA_TTR_11     1 1.836910e-03 2.833248e-06 ; 0.339912  2.977358e-01     0.959271        0.001534      0.004451  8.927088e-03       False fibril_MD        16        80
- OG1_TTR_2  CB_TTR_11     1 1.082587e-03 9.684256e-07 ; 0.310409  3.025516e-01     0.947827        0.001424      0.004451  9.945580e-03       False fibril_MD        16        81
- OG1_TTR_2  OG_TTR_11     1 2.538702e-04 5.266493e-08 ; 0.243305  3.059441e-01     0.912563        0.000797      0.004451  1.097435e-02       False fibril_MD        16        82
- OG1_TTR_2   C_TTR_11     1 1.774746e-03 5.878807e-06 ; 0.386093  1.339439e-01     0.018836        0.000965      0.004451  1.097420e-02       False fibril_MD        16        83
- CG2_TTR_2  CG2_TTR_2     1 3.283345e-03 8.788373e-06 ; 0.372619  3.066653e-01     0.927657        0.000584      0.004451  1.097310e-02       False fibril_MD        17        17
- CG2_TTR_2    C_TTR_2     1 6.859076e-03 3.954552e-05 ; 0.423453  2.974225e-01     0.753013        0.000089      0.004451  1.097358e-02       False fibril_MD        17        18
- CG2_TTR_2    O_TTR_2     1 1.045368e-03 1.403097e-06 ; 0.332126  1.947112e-01     0.802290        0.000097      0.004451  2.411251e-04       False fibril_MD        17        19
- CG2_TTR_2    N_TTR_3     1 3.205093e-03 1.735816e-05 ; 0.419061  1.479509e-01     0.114418        0.000062      0.004451  2.411251e-04       False fibril_MD        17        20
- CG2_TTR_2   CA_TTR_3     1 1.123190e-02 2.052547e-04 ; 0.513224  1.536575e-01     0.186569        0.000310      0.004451  2.411251e-04       False fibril_MD        17        21
- CG2_TTR_2   CB_TTR_3     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000685        0.000531      0.004451  2.411251e-04       False fibril_MD        17        22
- CG2_TTR_2  CG1_TTR_3     1 0.000000e+00 1.151981e-05 ; 0.387662 -1.151981e-05     0.000000        0.000514      0.004451  2.411251e-04       False fibril_MD        17        23
- CG2_TTR_2  CG2_TTR_3     1 0.000000e+00 8.595562e-06 ; 0.378317 -8.595562e-06     0.000000        0.000499      0.004451  2.411251e-04       False fibril_MD        17        24
- CG2_TTR_2   CD_TTR_3     1 0.000000e+00 8.595562e-06 ; 0.378317 -8.595562e-06     0.000000        0.000853      0.004451  2.411251e-04       False fibril_MD        17        25
- CG2_TTR_2    C_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.002012        0.000103      0.004451  2.411251e-04       False fibril_MD        17        26
- CG2_TTR_2    O_TTR_3     1 1.574123e-03 5.624802e-06 ; 0.391001  1.101312e-01     0.023680        0.000172      0.004451  2.411251e-04       False fibril_MD        17        27
- CG2_TTR_2    N_TTR_4     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000078        0.000061      0.004451  2.411251e-04       False fibril_MD        17        28
- CG2_TTR_2   CA_TTR_4     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000508        0.000681      0.004451  2.411251e-04       False fibril_MD        17        29
- CG2_TTR_2   CB_TTR_4     1 0.000000e+00 8.595562e-06 ; 0.378317 -8.595562e-06     0.003272        0.000740      0.004451  2.411251e-04       False fibril_MD        17        30
- CG2_TTR_2    C_TTR_4     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000208      0.004451  2.411251e-04       False fibril_MD        17        31
- CG2_TTR_2    O_TTR_4     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000000        0.000246      0.004451  2.411251e-04       False fibril_MD        17        32
+ OG1_TTR_2   C_TTR_10     1 1.611764e-03 2.141611e-06 ; 0.331568  3.032510e-01     0.858781        0.000556      0.004451  1.097420e-02       False fibril_MD        16        77
+ OG1_TTR_2   O_TTR_10     1 2.360950e-04 4.595806e-08 ; 0.240739  3.032158e-01     0.858084        0.000621      0.004451  1.097437e-02       False fibril_MD        16        78
+ OG1_TTR_2   N_TTR_11     1 1.366677e-03 1.573604e-06 ; 0.323746  2.967404e-01     0.741458        0.000327      0.004451  1.097429e-02       False fibril_MD        16        79
+ OG1_TTR_2  CA_TTR_11     1 1.836910e-03 2.833248e-06 ; 0.339912  2.977358e-01     0.959271        0.001812      0.004451  8.927088e-03       False fibril_MD        16        80
+ OG1_TTR_2  CB_TTR_11     1 1.082587e-03 9.684256e-07 ; 0.310409  3.025516e-01     0.947827        0.001662      0.004451  9.945580e-03       False fibril_MD        16        81
+ OG1_TTR_2  OG_TTR_11     1 2.538702e-04 5.266493e-08 ; 0.243305  3.059441e-01     0.912563        0.001093      0.004451  1.097435e-02       False fibril_MD        16        82
+ OG1_TTR_2   C_TTR_11     1 1.774746e-03 5.878807e-06 ; 0.386093  1.339439e-01     0.018836        0.001080      0.004451  1.097420e-02       False fibril_MD        16        83
+ CG2_TTR_2  CG2_TTR_2     1 3.283345e-03 8.788373e-06 ; 0.372619  3.066653e-01     0.927657        0.001558      0.004451  1.097310e-02       False fibril_MD        17        17
+ CG2_TTR_2    C_TTR_2     1 6.859076e-03 3.954552e-05 ; 0.423453  2.974225e-01     0.753013        0.001039      0.004451  1.097358e-02       False fibril_MD        17        18
+ CG2_TTR_2    O_TTR_2     1 8.482157e-04 1.138478e-06 ; 0.332126  1.579894e-01     0.802290        0.001113      0.004451  2.411251e-04       False fibril_MD        17        19
+ CG2_TTR_2    N_TTR_3     1 2.724918e-03 1.475762e-05 ; 0.419061  1.257854e-01     0.114418        0.000607      0.004451  2.411251e-04       False fibril_MD        17        20
+ CG2_TTR_2   CA_TTR_3     1 7.511091e-03 1.372596e-04 ; 0.513224  1.027551e-01     0.186569        0.002583      0.004451  2.411251e-04       False fibril_MD        17        21
+ CG2_TTR_2   CB_TTR_3     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000685        0.003435      0.004451  2.411251e-04       False fibril_MD        17        22
+ CG2_TTR_2  CG1_TTR_3     1 0.000000e+00 1.151981e-05 ; 0.387662 -1.151981e-05     0.000000        0.003087      0.004451  2.411251e-04       False fibril_MD        17        23
+ CG2_TTR_2  CG2_TTR_3     1 0.000000e+00 8.595562e-06 ; 0.378317 -8.595562e-06     0.000000        0.002622      0.004451  2.411251e-04       False fibril_MD        17        24
+ CG2_TTR_2   CD_TTR_3     1 0.000000e+00 8.595562e-06 ; 0.378317 -8.595562e-06     0.000000        0.003541      0.004451  2.411251e-04       False fibril_MD        17        25
+ CG2_TTR_2    C_TTR_3     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.002012        0.001099      0.004451  2.411251e-04       False fibril_MD        17        26
+ CG2_TTR_2    O_TTR_3     1 1.072202e-03 3.831292e-06 ; 0.391001  7.501503e-02     0.023680        0.001041      0.004451  2.411251e-04       False fibril_MD        17        27
+ CG2_TTR_2    N_TTR_4     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000078        0.000852      0.004451  2.411251e-04       False fibril_MD        17        28
+ CG2_TTR_2   CA_TTR_4     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000508        0.003413      0.004451  2.411251e-04       False fibril_MD        17        29
+ CG2_TTR_2   CB_TTR_4     1 0.000000e+00 8.595562e-06 ; 0.378317 -8.595562e-06     0.003272        0.003088      0.004451  2.411251e-04       False fibril_MD        17        30
+ CG2_TTR_2    C_TTR_4     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.001215      0.004451  2.411251e-04       False fibril_MD        17        31
+ CG2_TTR_2    O_TTR_4     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000000        0.000943      0.004451  2.411251e-04       False fibril_MD        17        32
  CG2_TTR_2    C_TTR_5     1 3.768380e-04 3.999194e-07 ; 0.319376  8.877220e-02     0.003395        0.007407      0.001408  9.186744e-03        True native_MD        17        36
  CG2_TTR_2    O_TTR_5     1 1.357418e-04 6.095625e-08 ; 0.276727  7.556995e-02     0.001828        0.007196      0.001408  9.186994e-03        True native_MD        17        37
  CG2_TTR_2    N_TTR_6     1 3.880013e-04 5.238605e-07 ; 0.332453  7.184405e-02     0.001535        0.002821      0.001408  9.186876e-03        True native_MD        17        38
@@ -890,61 +890,61 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
  CG2_TTR_2   CA_TTR_8     1 1.092614e-03 3.056213e-06 ; 0.375364  9.765404e-02     0.005721        0.005152      0.001408  6.280581e-03        True native_MD        17        55
  CG2_TTR_2   CB_TTR_8     1 1.061766e-03 2.983357e-06 ; 0.375647  9.446966e-02     0.004633        0.006044      0.001408  7.687693e-03        True native_MD        17        56
  CG2_TTR_2    O_TTR_8     1 2.690407e-04 2.431964e-07 ; 0.310949  7.440789e-02     0.001731        0.001189      0.001408  9.186994e-03        True native_MD        17        59
- CG2_TTR_2    N_TTR_9     1 4.445672e-03 3.124886e-05 ; 0.437673  1.581178e-01     0.032498        0.000550      0.004451  1.097367e-02       False fibril_MD        17        60
- CG2_TTR_2   CA_TTR_9     1 3.505916e-03 9.994226e-06 ; 0.376552  3.074636e-01     0.999726        0.002389      0.004451  1.046046e-02       False fibril_MD        17        61
- CG2_TTR_2   CB_TTR_9     1 1.484476e-03 1.807078e-06 ; 0.326764  3.048662e-01     0.999939        0.002149      0.004451  9.944191e-03       False fibril_MD        17        62
- CG2_TTR_2   CG_TTR_9     1 2.080460e-03 3.605352e-06 ; 0.346576  3.001313e-01     0.984351        0.002588      0.004451  9.168543e-03       False fibril_MD        17        63
- CG2_TTR_2   CD_TTR_9     1 9.473204e-03 7.591591e-05 ; 0.447342  2.955296e-01     0.706168        0.001991      0.004451  1.118504e-02       False fibril_MD        17        64
- CG2_TTR_2    C_TTR_9     1 2.613209e-03 5.766764e-06 ; 0.360822  2.960439e-01     0.995427        0.000993      0.004451  8.339771e-03       False fibril_MD        17        65
- CG2_TTR_2    O_TTR_9     1 7.577505e-04 5.019295e-07 ; 0.295247  2.859893e-01     0.839989        0.000833      0.004451  7.810133e-03       False fibril_MD        17        66
- CG2_TTR_2   N_TTR_10     1 2.090599e-03 3.729880e-06 ; 0.348260  2.929455e-01     0.983779        0.000737      0.004451  7.885860e-03       False fibril_MD        17        67
- CG2_TTR_2  CA_TTR_10     1 6.832082e-03 3.907075e-05 ; 0.422879  2.986719e-01     0.999078        0.002495      0.004451  8.783234e-03       False fibril_MD        17        68
- CG2_TTR_2  CB_TTR_10     1 1.205665e-02 1.595280e-04 ; 0.486334  2.278013e-01     0.193240        0.002410      0.004451  8.402879e-03       False fibril_MD        17        69
+ CG2_TTR_2    N_TTR_9     1 4.445672e-03 3.124886e-05 ; 0.437673  1.581178e-01     0.032498        0.000908      0.004451  1.097367e-02       False fibril_MD        17        60
+ CG2_TTR_2   CA_TTR_9     1 3.505916e-03 9.994226e-06 ; 0.376552  3.074636e-01     0.999726        0.003387      0.004451  1.046046e-02       False fibril_MD        17        61
+ CG2_TTR_2   CB_TTR_9     1 1.484476e-03 1.807078e-06 ; 0.326764  3.048662e-01     0.999939        0.003139      0.004451  9.944191e-03       False fibril_MD        17        62
+ CG2_TTR_2   CG_TTR_9     1 2.080460e-03 3.605352e-06 ; 0.346576  3.001313e-01     0.984351        0.003585      0.004451  9.168543e-03       False fibril_MD        17        63
+ CG2_TTR_2   CD_TTR_9     1 9.473204e-03 7.591591e-05 ; 0.447342  2.955296e-01     0.706168        0.002822      0.004451  1.118504e-02       False fibril_MD        17        64
+ CG2_TTR_2    C_TTR_9     1 2.613209e-03 5.766764e-06 ; 0.360822  2.960439e-01     0.995427        0.001304      0.004451  8.339771e-03       False fibril_MD        17        65
+ CG2_TTR_2    O_TTR_9     1 7.577505e-04 5.019295e-07 ; 0.295247  2.859893e-01     0.839989        0.001136      0.004451  7.810133e-03       False fibril_MD        17        66
+ CG2_TTR_2   N_TTR_10     1 2.090599e-03 3.729880e-06 ; 0.348260  2.929455e-01     0.983779        0.000944      0.004451  7.885860e-03       False fibril_MD        17        67
+ CG2_TTR_2  CA_TTR_10     1 6.832082e-03 3.907075e-05 ; 0.422879  2.986719e-01     0.999078        0.002965      0.004451  8.783234e-03       False fibril_MD        17        68
+ CG2_TTR_2  CB_TTR_10     1 1.205665e-02 1.595280e-04 ; 0.486334  2.278013e-01     0.193240        0.002699      0.004451  8.402879e-03       False fibril_MD        17        69
  CG2_TTR_2  CG_TTR_10     1 5.659589e-04 1.069562e-06 ; 0.351617  7.486933e-02     0.001769        0.002677      0.001408  9.186744e-03        True native_MD        17        70
  CG2_TTR_2 CD1_TTR_10     1 3.032882e-04 3.082969e-07 ; 0.317092  7.459021e-02     0.001746        0.002774      0.001408  9.186744e-03        True native_MD        17        71
  CG2_TTR_2 CD2_TTR_10     1 3.032882e-04 3.082969e-07 ; 0.317092  7.459021e-02     0.001746        0.002774      0.001408  9.186744e-03        True native_MD        17        72
  CG2_TTR_2 CE1_TTR_10     1 4.768681e-04 7.280347e-07 ; 0.339333  7.808805e-02     0.002057        0.003722      0.001408  9.186744e-03        True native_MD        17        73
  CG2_TTR_2 CE2_TTR_10     1 4.768681e-04 7.280347e-07 ; 0.339333  7.808805e-02     0.002057        0.003722      0.001408  9.186744e-03        True native_MD        17        74
- CG2_TTR_2   C_TTR_10     1 3.064690e-03 7.577454e-06 ; 0.367725  3.098774e-01     0.997329        0.001147      0.004451  1.097358e-02       False fibril_MD        17        77
- CG2_TTR_2   O_TTR_10     1 8.948019e-04 6.470676e-07 ; 0.299597  3.093458e-01     0.985420        0.000954      0.004451  1.097375e-02       False fibril_MD        17        78
- CG2_TTR_2   N_TTR_11     1 4.485718e-03 1.693997e-05 ; 0.394621  2.969555e-01     0.745113        0.000746      0.004451  1.097367e-02       False fibril_MD        17        79
- CG2_TTR_2  CA_TTR_11     1 8.621052e-03 6.228752e-05 ; 0.439683  2.983043e-01     0.972286        0.003324      0.004451  8.926588e-03       False fibril_MD        17        80
- CG2_TTR_2  CB_TTR_11     1 5.968438e-03 2.986346e-05 ; 0.413568  2.982094e-01     0.857597        0.002826      0.004451  9.945019e-03       False fibril_MD        17        81
- CG2_TTR_2  OG_TTR_11     1 1.562378e-03 2.051313e-06 ; 0.330908  2.974953e-01     0.754239        0.001762      0.004451  1.097373e-02       False fibril_MD        17        82
-   C_TTR_2    C_TTR_2     1 7.124645e-03 4.169599e-05 ; 0.424511  3.043492e-01     0.880339        0.000000      0.004451  1.097406e-02       False fibril_MD        18        18
-   C_TTR_2    O_TTR_2     1 1.342823e-03 1.454345e-06 ; 0.320461  3.099630e-01     0.999186        0.000000      0.004451  1.097422e-02       False fibril_MD        18        19
-   C_TTR_2    N_TTR_3     1 2.943948e-03 6.992747e-06 ; 0.365275  3.098508e-01     0.996668        0.000000      0.004451  1.097414e-02       False fibril_MD        18        20
-   C_TTR_2   CA_TTR_3     1 1.075222e-02 9.656399e-05 ; 0.455917  2.993098e-01     0.995580        0.000010      0.004451  8.926971e-03       False fibril_MD        18        21
-   C_TTR_2   CB_TTR_3     1 1.019978e-02 8.777664e-05 ; 0.452687  2.963074e-01     0.927495        0.000011      0.004451  8.926971e-03       False fibril_MD        18        22
-   C_TTR_2  CG1_TTR_3     1 5.603205e-03 4.481905e-05 ; 0.447203  1.751259e-01     0.354860        0.000026      0.004451  2.411251e-04       False fibril_MD        18        23
-   C_TTR_2  CG2_TTR_3     1 2.982336e-03 1.275439e-05 ; 0.402888  1.743385e-01     0.343412        0.000047      0.004451  2.411251e-04       False fibril_MD        18        24
-   C_TTR_2   CD_TTR_3     1 2.591125e-03 1.126503e-05 ; 0.403993  1.489993e-01     0.119525        0.000105      0.004451  2.411251e-04       False fibril_MD        18        25
-   C_TTR_2    C_TTR_3     1 5.693552e-03 3.903394e-05 ; 0.435856  2.076176e-01     0.099279        0.000000      0.004451  1.097406e-02       False fibril_MD        18        26
-   C_TTR_2    O_TTR_3     1 2.411915e-03 7.647686e-06 ; 0.383290  1.901664e-01     0.663931        0.000000      0.004451  2.411251e-04       False fibril_MD        18        27
-   C_TTR_2    N_TTR_4     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        18        28
-   C_TTR_2   CA_TTR_4     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000031      0.004451  2.411251e-04       False fibril_MD        18        29
-   C_TTR_2   CB_TTR_4     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000099      0.004451  2.411251e-04       False fibril_MD        18        30
-   C_TTR_2    C_TTR_4     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        18        31
-   C_TTR_2    O_TTR_4     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000005      0.004451  2.411251e-04       False fibril_MD        18        32
+ CG2_TTR_2   C_TTR_10     1 3.064690e-03 7.577454e-06 ; 0.367725  3.098774e-01     0.997329        0.001320      0.004451  1.097358e-02       False fibril_MD        17        77
+ CG2_TTR_2   O_TTR_10     1 8.948019e-04 6.470676e-07 ; 0.299597  3.093458e-01     0.985420        0.001143      0.004451  1.097375e-02       False fibril_MD        17        78
+ CG2_TTR_2   N_TTR_11     1 4.485718e-03 1.693997e-05 ; 0.394621  2.969555e-01     0.745113        0.000903      0.004451  1.097367e-02       False fibril_MD        17        79
+ CG2_TTR_2  CA_TTR_11     1 8.621052e-03 6.228752e-05 ; 0.439683  2.983043e-01     0.972286        0.003789      0.004451  8.926588e-03       False fibril_MD        17        80
+ CG2_TTR_2  CB_TTR_11     1 5.968438e-03 2.986346e-05 ; 0.413568  2.982094e-01     0.857597        0.003253      0.004451  9.945019e-03       False fibril_MD        17        81
+ CG2_TTR_2  OG_TTR_11     1 1.562378e-03 2.051313e-06 ; 0.330908  2.974953e-01     0.754239        0.001999      0.004451  1.097373e-02       False fibril_MD        17        82
+   C_TTR_2    C_TTR_2     1 7.124645e-03 4.169599e-05 ; 0.424511  3.043492e-01     0.880339        0.000006      0.004451  1.097406e-02       False fibril_MD        18        18
+   C_TTR_2    O_TTR_2     1 1.342823e-03 1.454345e-06 ; 0.320461  3.099630e-01     0.999186        0.000042      0.004451  1.097422e-02       False fibril_MD        18        19
+   C_TTR_2    N_TTR_3     1 2.943948e-03 6.992747e-06 ; 0.365275  3.098508e-01     0.996668        0.000008      0.004451  1.097414e-02       False fibril_MD        18        20
+   C_TTR_2   CA_TTR_3     1 1.075222e-02 9.656399e-05 ; 0.455917  2.993098e-01     0.995580        0.000132      0.004451  8.926971e-03       False fibril_MD        18        21
+   C_TTR_2   CB_TTR_3     1 1.019978e-02 8.777664e-05 ; 0.452687  2.963074e-01     0.927495        0.000455      0.004451  8.926971e-03       False fibril_MD        18        22
+   C_TTR_2  CG1_TTR_3     1 4.936955e-03 3.948984e-05 ; 0.447203  1.543025e-01     0.354860        0.000574      0.004451  2.411251e-04       False fibril_MD        18        23
+   C_TTR_2  CG2_TTR_3     1 2.553510e-03 1.092045e-05 ; 0.402888  1.492706e-01     0.343412        0.000685      0.004451  2.411251e-04       False fibril_MD        18        24
+   C_TTR_2   CD_TTR_3     1 1.948048e-03 8.469229e-06 ; 0.403993  1.120200e-01     0.119525        0.001125      0.004451  2.411251e-04       False fibril_MD        18        25
+   C_TTR_2    C_TTR_3     1 5.693552e-03 3.903394e-05 ; 0.435856  2.076176e-01     0.099279        0.000008      0.004451  1.097406e-02       False fibril_MD        18        26
+   C_TTR_2    O_TTR_3     1 2.411915e-03 7.647686e-06 ; 0.383290  1.901664e-01     0.663931        0.000047      0.004451  2.411251e-04       False fibril_MD        18        27
+   C_TTR_2    N_TTR_4     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000024      0.004451  2.411251e-04       False fibril_MD        18        28
+   C_TTR_2   CA_TTR_4     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000478      0.004451  2.411251e-04       False fibril_MD        18        29
+   C_TTR_2   CB_TTR_4     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000870      0.004451  2.411251e-04       False fibril_MD        18        30
+   C_TTR_2    C_TTR_4     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000030      0.004451  2.411251e-04       False fibril_MD        18        31
+   C_TTR_2    O_TTR_4     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000032      0.004451  2.411251e-04       False fibril_MD        18        32
    C_TTR_2    O_TTR_8     1 2.708743e-04 2.408034e-07 ; 0.310086  7.617512e-02     0.001881        0.000002      0.001408  9.187704e-03        True native_MD        18        59
-   C_TTR_2   CA_TTR_9     1 1.242643e-02 1.617554e-04 ; 0.485011  2.386571e-01     0.238012        0.000278      0.004451  8.926971e-03       False fibril_MD        18        61
-   C_TTR_2   CB_TTR_9     1 4.783887e-03 1.929047e-05 ; 0.398958  2.965918e-01     0.826243        0.000530      0.004451  9.944620e-03       False fibril_MD        18        62
-   C_TTR_2   CG_TTR_9     1 8.634204e-03 6.911716e-05 ; 0.447261  2.696489e-01     0.443971        0.000791      0.004451  9.944620e-03       False fibril_MD        18        63
-   C_TTR_2  CZ_TTR_10     1 3.469910e-03 1.948497e-05 ; 0.421596  1.544815e-01     0.029442        0.000573      0.004451  1.141671e-02       False fibril_MD        18        75
-   C_TTR_2  OH_TTR_10     1 1.656611e-03 2.760876e-06 ; 0.344327  2.485043e-01     0.238959        0.000742      0.004451  1.152980e-02       False fibril_MD        18        76
-   O_TTR_2    O_TTR_2     1 4.755518e-03 2.863461e-05 ; 0.426529  1.974442e-01     0.899018        0.000003      0.004451  2.411251e-04       False fibril_MD        19        19
-   O_TTR_2    N_TTR_3     1 3.276246e-04 8.656770e-08 ; 0.253316  3.099824e-01     0.999614        0.000005      0.004451  1.097431e-02       False fibril_MD        19        20
-   O_TTR_2   CA_TTR_3     1 2.125430e-03 3.771001e-06 ; 0.347938  2.994863e-01     0.999717        0.000014      0.004451  8.927106e-03       False fibril_MD        19        21
-   O_TTR_2   CB_TTR_3     1 1.696154e-03 3.597932e-06 ; 0.358452  1.999023e-01     0.995939        0.000039      0.004451  2.411251e-04       False fibril_MD        19        22
-   O_TTR_2  CG1_TTR_3     1 1.639623e-03 3.491470e-06 ; 0.358683  1.924950e-01     0.731550        0.000046      0.004451  2.411251e-04       False fibril_MD        19        23
-   O_TTR_2  CG2_TTR_3     1 6.135695e-04 5.356094e-07 ; 0.309146  1.757193e-01     0.363740        0.000063      0.004451  2.411251e-04       False fibril_MD        19        24
-   O_TTR_2   CD_TTR_3     1 6.732326e-04 6.964133e-07 ; 0.318017  1.627059e-01     0.211541        0.000100      0.004451  2.411251e-04       False fibril_MD        19        25
-   O_TTR_2    C_TTR_3     1 2.031327e-03 5.260283e-06 ; 0.370571  1.961058e-01     0.850275        0.000000      0.004451  2.411251e-04       False fibril_MD        19        26
-   O_TTR_2    O_TTR_3     1 8.272911e-04 8.555606e-07 ; 0.318004  1.999889e-01     0.999539        0.000050      0.004451  2.411251e-04       False fibril_MD        19        27
-   O_TTR_2    N_TTR_4     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        19        28
-   O_TTR_2   CA_TTR_4     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000039      0.004451  2.411251e-04       False fibril_MD        19        29
-   O_TTR_2   CB_TTR_4     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000000        0.000112      0.004451  2.411251e-04       False fibril_MD        19        30
-   O_TTR_2    C_TTR_4     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000003      0.004451  2.411251e-04       False fibril_MD        19        31
+   C_TTR_2   CA_TTR_9     1 1.242643e-02 1.617554e-04 ; 0.485011  2.386571e-01     0.238012        0.000445      0.004451  8.926971e-03       False fibril_MD        18        61
+   C_TTR_2   CB_TTR_9     1 4.783887e-03 1.929047e-05 ; 0.398958  2.965918e-01     0.826243        0.000786      0.004451  9.944620e-03       False fibril_MD        18        62
+   C_TTR_2   CG_TTR_9     1 8.634204e-03 6.911716e-05 ; 0.447261  2.696489e-01     0.443971        0.001072      0.004451  9.944620e-03       False fibril_MD        18        63
+   C_TTR_2  CZ_TTR_10     1 3.469910e-03 1.948497e-05 ; 0.421596  1.544815e-01     0.029442        0.000740      0.004451  1.141671e-02       False fibril_MD        18        75
+   C_TTR_2  OH_TTR_10     1 1.656611e-03 2.760876e-06 ; 0.344327  2.485043e-01     0.238959        0.000899      0.004451  1.152980e-02       False fibril_MD        18        76
+   O_TTR_2    O_TTR_2     1 4.720902e-03 2.842618e-05 ; 0.426529  1.960070e-01     0.899018        0.000256      0.004451  2.411251e-04       False fibril_MD        19        19
+   O_TTR_2    N_TTR_3     1 3.276246e-04 8.656770e-08 ; 0.253316  3.099824e-01     0.999614        0.000032      0.004451  1.097431e-02       False fibril_MD        19        20
+   O_TTR_2   CA_TTR_3     1 2.125430e-03 3.771001e-06 ; 0.347938  2.994863e-01     0.999717        0.000254      0.004451  8.927106e-03       False fibril_MD        19        21
+   O_TTR_2   CB_TTR_3     1 1.489185e-03 3.158903e-06 ; 0.358452  1.755097e-01     0.995939        0.000666      0.004451  2.411251e-04       False fibril_MD        19        22
+   O_TTR_2  CG1_TTR_3     1 1.420215e-03 3.024256e-06 ; 0.358683  1.667362e-01     0.731550        0.000705      0.004451  2.411251e-04       False fibril_MD        19        23
+   O_TTR_2  CG2_TTR_3     1 5.230333e-04 4.565767e-07 ; 0.309146  1.497907e-01     0.363740        0.000710      0.004451  2.411251e-04       False fibril_MD        19        24
+   O_TTR_2   CD_TTR_3     1 5.246465e-04 5.427111e-07 ; 0.318017  1.267958e-01     0.211541        0.001076      0.004451  2.411251e-04       False fibril_MD        19        25
+   O_TTR_2    C_TTR_3     1 2.031327e-03 5.260283e-06 ; 0.370571  1.961058e-01     0.850275        0.000054      0.004451  2.411251e-04       False fibril_MD        19        26
+   O_TTR_2    O_TTR_3     1 7.850333e-04 8.118588e-07 ; 0.318004  1.897735e-01     0.999539        0.000369      0.004451  2.411251e-04       False fibril_MD        19        27
+   O_TTR_2    N_TTR_4     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000094      0.004451  2.411251e-04       False fibril_MD        19        28
+   O_TTR_2   CA_TTR_4     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000629      0.004451  2.411251e-04       False fibril_MD        19        29
+   O_TTR_2   CB_TTR_4     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000000        0.000856      0.004451  2.411251e-04       False fibril_MD        19        30
+   O_TTR_2    C_TTR_4     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000087      0.004451  2.411251e-04       False fibril_MD        19        31
    O_TTR_2    O_TTR_4     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        19        32
    O_TTR_2    O_TTR_5     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        19        37
    O_TTR_2    N_TTR_6     1 1.565154e-04 5.053408e-08 ; 0.261922  1.211908e-01     0.015529        0.007445      0.001408  9.187836e-03        True native_MD        19        38
@@ -953,170 +953,170 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
    O_TTR_2    O_TTR_6     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        19        45
    O_TTR_2    O_TTR_7     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        19        53
    O_TTR_2    O_TTR_8     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        19        59
-   O_TTR_2   CA_TTR_9     1 5.538841e-03 4.063139e-05 ; 0.440799  1.887626e-01     0.073342        0.000320      0.004451  8.927106e-03       False fibril_MD        19        61
-   O_TTR_2   CB_TTR_9     1 1.928144e-03 3.244664e-06 ; 0.344883  2.864503e-01     0.653979        0.000548      0.004451  9.944771e-03       False fibril_MD        19        62
-   O_TTR_2   CG_TTR_9     1 3.383901e-03 1.128005e-05 ; 0.386499  2.537839e-01     0.307969        0.000748      0.004451  9.944771e-03       False fibril_MD        19        63
+   O_TTR_2   CA_TTR_9     1 5.538841e-03 4.063139e-05 ; 0.440799  1.887626e-01     0.073342        0.000566      0.004451  8.927106e-03       False fibril_MD        19        61
+   O_TTR_2   CB_TTR_9     1 1.928144e-03 3.244664e-06 ; 0.344883  2.864503e-01     0.653979        0.000796      0.004451  9.944771e-03       False fibril_MD        19        62
+   O_TTR_2   CG_TTR_9     1 3.383901e-03 1.128005e-05 ; 0.386499  2.537839e-01     0.307969        0.001069      0.004451  9.944771e-03       False fibril_MD        19        63
    O_TTR_2    O_TTR_9     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        19        66
    O_TTR_2 CD1_TTR_10     1 2.924789e-04 2.790311e-07 ; 0.313757  7.664369e-02     0.001922        0.001081      0.001408  9.187704e-03        True native_MD        19        71
    O_TTR_2 CD2_TTR_10     1 2.924789e-04 2.790311e-07 ; 0.313757  7.664369e-02     0.001922        0.001081      0.001408  9.187704e-03        True native_MD        19        72
    O_TTR_2 CE1_TTR_10     1 2.171723e-04 1.277524e-07 ; 0.289464  9.229539e-02     0.004005        0.001684      0.001408  9.187704e-03        True native_MD        19        73
    O_TTR_2 CE2_TTR_10     1 2.171723e-04 1.277524e-07 ; 0.289464  9.229539e-02     0.004005        0.001684      0.001408  9.187704e-03        True native_MD        19        74
-   O_TTR_2  CZ_TTR_10     1 1.189281e-03 2.063869e-06 ; 0.346657  1.713274e-01     0.040977        0.000650      0.004451  1.250528e-02       False fibril_MD        19        75
-   O_TTR_2  OH_TTR_10     1 2.948836e-04 9.086569e-08 ; 0.259891  2.392441e-01     0.186699        0.000746      0.004451  1.209018e-02       False fibril_MD        19        76
+   O_TTR_2  CZ_TTR_10     1 1.189281e-03 2.063869e-06 ; 0.346657  1.713274e-01     0.040977        0.000898      0.004451  1.250528e-02       False fibril_MD        19        75
+   O_TTR_2  OH_TTR_10     1 2.948836e-04 9.086569e-08 ; 0.259891  2.392441e-01     0.186699        0.000962      0.004451  1.209018e-02       False fibril_MD        19        76
    O_TTR_2   O_TTR_10     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        19        78
    O_TTR_2  O1_TTR_11     1 0.000000e+00 2.428469e-06 ; 0.340495 -2.428469e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        19        84
    O_TTR_2  O2_TTR_11     1 0.000000e+00 2.428469e-06 ; 0.340495 -2.428469e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        19        85
-   N_TTR_3    N_TTR_3     1 2.633403e-03 1.023483e-05 ; 0.396516  1.693924e-01     0.041910        0.000000      0.004451  1.097423e-02       False fibril_MD        20        20
-   N_TTR_3   CA_TTR_3     1 5.709216e-03 2.720915e-05 ; 0.410226  2.994870e-01     0.999742        0.000005      0.004451  8.927042e-03       False fibril_MD        20        21
-   N_TTR_3   CB_TTR_3     1 1.035891e-02 9.171646e-05 ; 0.454837  2.924965e-01     0.847733        0.000020      0.004451  8.927042e-03       False fibril_MD        20        22
-   N_TTR_3  CG1_TTR_3     1 6.148939e-03 3.684012e-05 ; 0.426174  2.565779e-01     0.328435        0.000030      0.004451  9.945528e-03       False fibril_MD        20        23
-   N_TTR_3  CG2_TTR_3     1 4.982791e-03 2.432789e-05 ; 0.411881  2.551414e-01     0.290080        0.000038      0.004451  1.097367e-02       False fibril_MD        20        24
-   N_TTR_3   CD_TTR_3     1 1.984049e-03 7.033557e-06 ; 0.390484  1.399168e-01     0.081878        0.000086      0.004451  2.411251e-04       False fibril_MD        20        25
-   N_TTR_3    O_TTR_3     1 2.889339e-03 7.773558e-06 ; 0.372938  2.684832e-01     0.391939        0.000005      0.004451  1.097431e-02       False fibril_MD        20        27
-   N_TTR_3   CA_TTR_4     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000002        0.000005      0.004451  2.411251e-04       False fibril_MD        20        29
-   N_TTR_3   CB_TTR_4     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000000        0.000052      0.004451  2.411251e-04       False fibril_MD        20        30
-   N_TTR_3    C_TTR_4     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        20        31
-   N_TTR_3    O_TTR_4     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        20        32
-   N_TTR_3    N_TTR_5     1 0.000000e+00 8.752940e-07 ; 0.312737 -8.752940e-07     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        20        33
-   N_TTR_3   CA_TTR_5     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000024      0.004451  2.411251e-04       False fibril_MD        20        34
-   N_TTR_3   CB_TTR_5     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000000        0.000091      0.004451  2.411251e-04       False fibril_MD        20        35
+   N_TTR_3    N_TTR_3     1 2.633403e-03 1.023483e-05 ; 0.396516  1.693924e-01     0.041910        0.000002      0.004451  1.097423e-02       False fibril_MD        20        20
+   N_TTR_3   CA_TTR_3     1 5.709216e-03 2.720915e-05 ; 0.410226  2.994870e-01     0.999742        0.000083      0.004451  8.927042e-03       False fibril_MD        20        21
+   N_TTR_3   CB_TTR_3     1 1.035891e-02 9.171646e-05 ; 0.454837  2.924965e-01     0.847733        0.000236      0.004451  8.927042e-03       False fibril_MD        20        22
+   N_TTR_3  CG1_TTR_3     1 6.148939e-03 3.684012e-05 ; 0.426174  2.565779e-01     0.328435        0.000281      0.004451  9.945528e-03       False fibril_MD        20        23
+   N_TTR_3  CG2_TTR_3     1 4.982791e-03 2.432789e-05 ; 0.411881  2.551414e-01     0.290080        0.000411      0.004451  1.097367e-02       False fibril_MD        20        24
+   N_TTR_3   CD_TTR_3     1 1.628581e-03 5.773403e-06 ; 0.390484  1.148489e-01     0.081878        0.000685      0.004451  2.411251e-04       False fibril_MD        20        25
+   N_TTR_3    O_TTR_3     1 2.889339e-03 7.773558e-06 ; 0.372938  2.684832e-01     0.391939        0.000030      0.004451  1.097431e-02       False fibril_MD        20        27
+   N_TTR_3   CA_TTR_4     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000002        0.000253      0.004451  2.411251e-04       False fibril_MD        20        29
+   N_TTR_3   CB_TTR_4     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000000        0.000566      0.004451  2.411251e-04       False fibril_MD        20        30
+   N_TTR_3    C_TTR_4     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000010      0.004451  2.411251e-04       False fibril_MD        20        31
+   N_TTR_3    O_TTR_4     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000039      0.004451  2.411251e-04       False fibril_MD        20        32
+   N_TTR_3    N_TTR_5     1 0.000000e+00 8.752940e-07 ; 0.312737 -8.752940e-07     0.000000        0.000001      0.004451  2.411251e-04       False fibril_MD        20        33
+   N_TTR_3   CA_TTR_5     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000234      0.004451  2.411251e-04       False fibril_MD        20        34
+   N_TTR_3   CB_TTR_5     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000000        0.000494      0.004451  2.411251e-04       False fibril_MD        20        35
    N_TTR_3    O_TTR_8     1 5.349019e-05 9.390762e-09 ; 0.236631  7.617061e-02     0.001880        0.000011      0.001408  9.187836e-03        True native_MD        20        59
-   N_TTR_3   CA_TTR_9     1 4.482234e-03 5.052356e-05 ; 0.473514  9.941115e-02     0.009040        0.000205      0.004451  8.082076e-03       False fibril_MD        20        61
-   N_TTR_3   CB_TTR_9     1 5.628268e-03 2.825945e-05 ; 0.413807  2.802372e-01     0.566711        0.000295      0.004451  9.944700e-03       False fibril_MD        20        62
-   N_TTR_3   CG_TTR_9     1 5.250810e-03 2.462059e-05 ; 0.409115  2.799589e-01     0.563086        0.000502      0.004451  9.944700e-03       False fibril_MD        20        63
-   N_TTR_3  CZ_TTR_10     1 1.330730e-03 6.275631e-06 ; 0.409507  7.054435e-02     0.004506        0.000357      0.004451  1.097414e-02       False fibril_MD        20        75
-   N_TTR_3  OH_TTR_10     1 8.777824e-04 8.668938e-07 ; 0.315571  2.222019e-01     0.137959        0.000518      0.004451  1.097429e-02       False fibril_MD        20        76
-  CA_TTR_3   CA_TTR_3     1 6.901044e-03 4.105562e-05 ; 0.425673  2.899993e-01     1.000000        0.000024      0.004451  7.281617e-03       False fibril_MD        21        21
-  CA_TTR_3   CB_TTR_3     1 5.743992e-03 2.844268e-05 ; 0.412850  2.899993e-01     1.000000        0.000242      0.004451  7.281617e-03       False fibril_MD        21        22
-  CA_TTR_3  CG1_TTR_3     1 1.022640e-02 8.886029e-05 ; 0.453417  2.942239e-01     0.984714        0.000292      0.004451  8.099766e-03       False fibril_MD        21        23
-  CA_TTR_3  CG2_TTR_3     1 3.684171e-03 1.134521e-05 ; 0.381428  2.990936e-01     0.990563        0.000297      0.004451  8.926588e-03       False fibril_MD        21        24
-  CA_TTR_3   CD_TTR_3     1 1.053478e-02 9.493449e-05 ; 0.456177  2.922585e-01     0.843035        0.000488      0.004451  8.926588e-03       False fibril_MD        21        25
-  CA_TTR_3    C_TTR_3     1 5.843685e-03 2.850519e-05 ; 0.411819  2.994951e-01     0.999940        0.000006      0.004451  8.926971e-03       False fibril_MD        21        26
-  CA_TTR_3    O_TTR_3     1 9.805927e-04 8.026464e-07 ; 0.305848  2.994974e-01     0.999978        0.000025      0.004451  8.927106e-03       False fibril_MD        21        27
-  CA_TTR_3    N_TTR_4     1 9.399993e-03 7.406624e-05 ; 0.446083  2.982461e-01     0.970895        0.000007      0.004451  8.927042e-03       False fibril_MD        21        28
-  CA_TTR_3   CA_TTR_4     1 2.893379e-02 7.217500e-04 ; 0.540543  2.899772e-01     0.999455        0.000142      0.004451  7.281617e-03       False fibril_MD        21        29
-  CA_TTR_3   CB_TTR_4     1 1.188551e-02 2.287133e-04 ; 0.517661  1.544132e-01     0.168934        0.000272      0.004451  2.411251e-04       False fibril_MD        21        30
-  CA_TTR_3    C_TTR_4     1 6.545348e-03 9.588375e-05 ; 0.494655  1.117019e-01     0.025281        0.000010      0.004451  2.411251e-04       False fibril_MD        21        31
-  CA_TTR_3    O_TTR_4     1 4.694886e-03 3.469677e-05 ; 0.441344  1.588185e-01     0.179919        0.000010      0.004451  2.411251e-04       False fibril_MD        21        32
-  CA_TTR_3    N_TTR_5     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000017      0.004451  2.411251e-04       False fibril_MD        21        33
-  CA_TTR_3   CA_TTR_5     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000822        0.000240      0.004451  2.411251e-04       False fibril_MD        21        34
-  CA_TTR_3   CB_TTR_5     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000458        0.000388      0.004451  2.411251e-04       False fibril_MD        21        35
-  CA_TTR_3    C_TTR_5     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000014      0.004451  2.411251e-04       False fibril_MD        21        36
-  CA_TTR_3    O_TTR_5     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000035      0.004451  2.411251e-04       False fibril_MD        21        37
+   N_TTR_3   CA_TTR_9     1 4.482234e-03 5.052356e-05 ; 0.473514  9.941115e-02     0.009040        0.000235      0.004451  8.082076e-03       False fibril_MD        20        61
+   N_TTR_3   CB_TTR_9     1 5.628268e-03 2.825945e-05 ; 0.413807  2.802372e-01     0.566711        0.000451      0.004451  9.944700e-03       False fibril_MD        20        62
+   N_TTR_3   CG_TTR_9     1 5.250810e-03 2.462059e-05 ; 0.409115  2.799589e-01     0.563086        0.000616      0.004451  9.944700e-03       False fibril_MD        20        63
+   N_TTR_3  CZ_TTR_10     1 1.330730e-03 6.275631e-06 ; 0.409507  7.054435e-02     0.004506        0.000360      0.004451  1.097414e-02       False fibril_MD        20        75
+   N_TTR_3  OH_TTR_10     1 8.777824e-04 8.668938e-07 ; 0.315571  2.222019e-01     0.137959        0.000626      0.004451  1.097429e-02       False fibril_MD        20        76
+  CA_TTR_3   CA_TTR_3     1 6.901044e-03 4.105562e-05 ; 0.425673  2.899993e-01     1.000000        0.000457      0.004451  7.281617e-03       False fibril_MD        21        21
+  CA_TTR_3   CB_TTR_3     1 5.743992e-03 2.844268e-05 ; 0.412850  2.899993e-01     1.000000        0.001633      0.004451  7.281617e-03       False fibril_MD        21        22
+  CA_TTR_3  CG1_TTR_3     1 1.022640e-02 8.886029e-05 ; 0.453417  2.942239e-01     0.984714        0.001718      0.004451  8.099766e-03       False fibril_MD        21        23
+  CA_TTR_3  CG2_TTR_3     1 3.684171e-03 1.134521e-05 ; 0.381428  2.990936e-01     0.990563        0.001651      0.004451  8.926588e-03       False fibril_MD        21        24
+  CA_TTR_3   CD_TTR_3     1 1.053478e-02 9.493449e-05 ; 0.456177  2.922585e-01     0.843035        0.002665      0.004451  8.926588e-03       False fibril_MD        21        25
+  CA_TTR_3    C_TTR_3     1 5.843685e-03 2.850519e-05 ; 0.411819  2.994951e-01     0.999940        0.000151      0.004451  8.926971e-03       False fibril_MD        21        26
+  CA_TTR_3    O_TTR_3     1 9.805927e-04 8.026464e-07 ; 0.305848  2.994974e-01     0.999978        0.000283      0.004451  8.927106e-03       False fibril_MD        21        27
+  CA_TTR_3    N_TTR_4     1 9.399993e-03 7.406624e-05 ; 0.446083  2.982461e-01     0.970895        0.000147      0.004451  8.927042e-03       False fibril_MD        21        28
+  CA_TTR_3   CA_TTR_4     1 2.893379e-02 7.217500e-04 ; 0.540543  2.899772e-01     0.999455        0.001838      0.004451  7.281617e-03       False fibril_MD        21        29
+  CA_TTR_3   CB_TTR_4     1 8.024060e-03 1.544072e-04 ; 0.517661  1.042463e-01     0.168934        0.002198      0.004451  2.411251e-04       False fibril_MD        21        30
+  CA_TTR_3    C_TTR_4     1 6.545348e-03 9.588375e-05 ; 0.494655  1.117019e-01     0.025281        0.000233      0.004451  2.411251e-04       False fibril_MD        21        31
+  CA_TTR_3    O_TTR_4     1 4.578732e-03 3.383835e-05 ; 0.441344  1.548892e-01     0.179919        0.000284      0.004451  2.411251e-04       False fibril_MD        21        32
+  CA_TTR_3    N_TTR_5     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000188      0.004451  2.411251e-04       False fibril_MD        21        33
+  CA_TTR_3   CA_TTR_5     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000822        0.001751      0.004451  2.411251e-04       False fibril_MD        21        34
+  CA_TTR_3   CB_TTR_5     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000458        0.002077      0.004451  2.411251e-04       False fibril_MD        21        35
+  CA_TTR_3    C_TTR_5     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000174      0.004451  2.411251e-04       False fibril_MD        21        36
+  CA_TTR_3    O_TTR_5     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000293      0.004451  2.411251e-04       False fibril_MD        21        37
   CA_TTR_3    C_TTR_8     1 1.330484e-03 5.551322e-06 ; 0.401234  7.971921e-02     0.002304        0.000304      0.001408  6.281093e-03        True native_MD        21        58
   CA_TTR_3    O_TTR_8     1 2.603756e-04 2.113810e-07 ; 0.305429  8.018156e-02     0.002359        0.000479      0.001408  6.281274e-03        True native_MD        21        59
-  CA_TTR_3   CA_TTR_9     1 3.071913e-02 8.724946e-04 ; 0.552364  2.703929e-01     0.416521        0.001341      0.004451  1.078165e-02       False fibril_MD        21        61
-  CA_TTR_3   CB_TTR_9     1 1.070919e-02 9.888122e-05 ; 0.458029  2.899611e-01     0.888732        0.001493      0.004451  8.099101e-03       False fibril_MD        21        62
-  CA_TTR_3   CG_TTR_9     1 1.075953e-02 1.000669e-04 ; 0.458581  2.892249e-01     0.873114        0.002102      0.004451  8.099101e-03       False fibril_MD        21        63
-  CA_TTR_3   CD_TTR_9     1 1.561438e-02 3.341397e-04 ; 0.526907  1.824154e-01     0.057721        0.001258      0.004451  1.047283e-02       False fibril_MD        21        64
+  CA_TTR_3   CA_TTR_9     1 3.071913e-02 8.724946e-04 ; 0.552364  2.703929e-01     0.416521        0.001662      0.004451  1.078165e-02       False fibril_MD        21        61
+  CA_TTR_3   CB_TTR_9     1 1.070919e-02 9.888122e-05 ; 0.458029  2.899611e-01     0.888732        0.002046      0.004451  8.099101e-03       False fibril_MD        21        62
+  CA_TTR_3   CG_TTR_9     1 1.075953e-02 1.000669e-04 ; 0.458581  2.892249e-01     0.873114        0.002668      0.004451  8.099101e-03       False fibril_MD        21        63
+  CA_TTR_3   CD_TTR_9     1 1.561438e-02 3.341397e-04 ; 0.526907  1.824154e-01     0.057721        0.001619      0.004451  1.047283e-02       False fibril_MD        21        64
   CA_TTR_3  CA_TTR_10     1 5.197293e-03 7.187415e-05 ; 0.489928  9.395538e-02     0.005221        0.001830      0.001408  4.204789e-03        True native_MD        21        68
   CA_TTR_3 CD1_TTR_10     1 1.910124e-03 9.895085e-06 ; 0.415968  9.218149e-02     0.004334        0.002532      0.001408  6.281093e-03        True native_MD        21        71
   CA_TTR_3 CD2_TTR_10     1 1.910124e-03 9.895085e-06 ; 0.415968  9.218149e-02     0.004334        0.002532      0.001408  6.281093e-03        True native_MD        21        72
   CA_TTR_3 CE1_TTR_10     1 2.028817e-03 1.074619e-05 ; 0.417512  9.575714e-02     0.005196        0.003597      0.001408  6.281093e-03        True native_MD        21        73
   CA_TTR_3 CE2_TTR_10     1 2.028817e-03 1.074619e-05 ; 0.417512  9.575714e-02     0.005196        0.003597      0.001408  6.281093e-03        True native_MD        21        74
-  CA_TTR_3  CZ_TTR_10     1 1.010614e-02 1.395140e-04 ; 0.489785  1.830175e-01     0.050770        0.001594      0.004451  1.346571e-02       False fibril_MD        21        75
-  CA_TTR_3  OH_TTR_10     1 5.644723e-03 2.812129e-05 ; 0.413268  2.832631e-01     0.534956        0.001570      0.004451  1.120698e-02       False fibril_MD        21        76
+  CA_TTR_3  CZ_TTR_10     1 1.010614e-02 1.395140e-04 ; 0.489785  1.830175e-01     0.050770        0.001986      0.004451  1.346571e-02       False fibril_MD        21        75
+  CA_TTR_3  OH_TTR_10     1 5.644723e-03 2.812129e-05 ; 0.413268  2.832631e-01     0.534956        0.002009      0.004451  1.120698e-02       False fibril_MD        21        76
   CA_TTR_3  CA_TTR_11     1 4.430743e-03 5.565902e-05 ; 0.482144  8.817748e-02     0.003806        0.001361      0.001408  4.204789e-03        True native_MD        21        80
   CA_TTR_3  CB_TTR_11     1 1.526963e-03 6.427936e-06 ; 0.401828  9.068292e-02     0.004177        0.001640      0.001408  5.203740e-03        True native_MD        21        81
   CA_TTR_3  OG_TTR_11     1 8.954580e-04 2.440934e-06 ; 0.373753  8.212481e-02     0.002603        0.000938      0.001408  6.281250e-03        True native_MD        21        82
-  CB_TTR_3   CB_TTR_3     1 5.090316e-03 2.233851e-05 ; 0.404624  2.899849e-01     0.999645        0.000337      0.004451  7.281617e-03       False fibril_MD        22        22
-  CB_TTR_3  CG1_TTR_3     1 4.057509e-03 1.396493e-05 ; 0.388565  2.947272e-01     0.996720        0.000542      0.004451  8.099766e-03       False fibril_MD        22        23
-  CB_TTR_3  CG2_TTR_3     1 3.692754e-03 1.139189e-05 ; 0.381541  2.992574e-01     0.994397        0.000516      0.004451  8.926588e-03       False fibril_MD        22        24
-  CB_TTR_3   CD_TTR_3     1 4.166883e-03 1.461239e-05 ; 0.389779  2.970582e-01     0.944117        0.000901      0.004451  8.926588e-03       False fibril_MD        22        25
-  CB_TTR_3    C_TTR_3     1 1.154774e-02 1.118970e-04 ; 0.461729  2.979308e-01     0.963708        0.000031      0.004451  8.926971e-03       False fibril_MD        22        26
-  CB_TTR_3    O_TTR_3     1 3.667033e-03 1.125214e-05 ; 0.381200  2.987684e-01     0.982926        0.000075      0.004451  8.927106e-03       False fibril_MD        22        27
-  CB_TTR_3    N_TTR_4     1 7.995468e-03 5.493590e-05 ; 0.436016  2.909186e-01     0.816755        0.000025      0.004451  8.927042e-03       False fibril_MD        22        28
-  CB_TTR_3   CA_TTR_4     1 1.910609e-02 4.841613e-04 ; 0.541963  1.884923e-01     0.824332        0.000321      0.004451  2.411251e-04       False fibril_MD        22        29
-  CB_TTR_3   CB_TTR_4     1 6.162839e-03 1.207484e-04 ; 0.519218  7.863577e-02     0.013754        0.000520      0.004451  2.411251e-04       False fibril_MD        22        30
-  CB_TTR_3    C_TTR_4     1 7.459122e-03 9.580697e-05 ; 0.483933  1.451839e-01     0.101963        0.000022      0.004451  2.411251e-04       False fibril_MD        22        31
-  CB_TTR_3    O_TTR_4     1 3.814253e-03 2.185707e-05 ; 0.423023  1.664053e-01     0.246781        0.000036      0.004451  2.411251e-04       False fibril_MD        22        32
-  CB_TTR_3    N_TTR_5     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000335        0.000031      0.004451  2.411251e-04       False fibril_MD        22        33
-  CB_TTR_3   CA_TTR_5     1 8.800607e-03 2.606662e-04 ; 0.556240  7.428148e-02     0.011230        0.000509      0.004451  2.411251e-04       False fibril_MD        22        34
-  CB_TTR_3   CB_TTR_5     1 0.000000e+00 1.759863e-04 ; 0.486545 -1.759863e-04     0.009688        0.000654      0.004451  2.411251e-04       False fibril_MD        22        35
-  CB_TTR_3    C_TTR_5     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000077      0.004451  2.411251e-04       False fibril_MD        22        36
-  CB_TTR_3    O_TTR_5     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000123      0.004451  2.411251e-04       False fibril_MD        22        37
-  CB_TTR_3   CG_TTR_6     1 2.458866e-02 7.764034e-04 ; 0.562202  1.946804e-01     0.059483        0.002242      0.004451  1.562735e-02       False fibril_MD        22        41
-  CB_TTR_3  CD1_TTR_6     1 1.659051e-02 2.526326e-04 ; 0.497857  2.723769e-01     0.216465        0.001796      0.004451  2.152199e-02       False fibril_MD        22        42
-  CB_TTR_3  CD2_TTR_6     1 1.659051e-02 2.526326e-04 ; 0.497857  2.723769e-01     0.216465        0.001796      0.004451  2.152199e-02       False fibril_MD        22        43
-  CB_TTR_3   CA_TTR_8     1 9.712122e-03 3.086402e-04 ; 0.562803  7.640394e-02     0.005040        0.002276      0.004451  2.062451e-02       False fibril_MD        22        55
-  CB_TTR_3   CB_TTR_8     1 2.156238e-02 3.790774e-04 ; 0.509924  3.066236e-01     0.451164        0.002583      0.004451  2.016434e-02       False fibril_MD        22        56
-  CB_TTR_3   OG_TTR_8     1 7.217810e-03 4.685970e-05 ; 0.431916  2.779402e-01     0.225745        0.001613      0.004451  2.290610e-02       False fibril_MD        22        57
+  CB_TTR_3   CB_TTR_3     1 5.090316e-03 2.233851e-05 ; 0.404624  2.899849e-01     0.999645        0.001507      0.004451  7.281617e-03       False fibril_MD        22        22
+  CB_TTR_3  CG1_TTR_3     1 4.057509e-03 1.396493e-05 ; 0.388565  2.947272e-01     0.996720        0.002196      0.004451  8.099766e-03       False fibril_MD        22        23
+  CB_TTR_3  CG2_TTR_3     1 3.692754e-03 1.139189e-05 ; 0.381541  2.992574e-01     0.994397        0.001925      0.004451  8.926588e-03       False fibril_MD        22        24
+  CB_TTR_3   CD_TTR_3     1 4.166883e-03 1.461239e-05 ; 0.389779  2.970582e-01     0.944117        0.003098      0.004451  8.926588e-03       False fibril_MD        22        25
+  CB_TTR_3    C_TTR_3     1 1.154774e-02 1.118970e-04 ; 0.461729  2.979308e-01     0.963708        0.000530      0.004451  8.926971e-03       False fibril_MD        22        26
+  CB_TTR_3    O_TTR_3     1 3.667033e-03 1.125214e-05 ; 0.381200  2.987684e-01     0.982926        0.000685      0.004451  8.927106e-03       False fibril_MD        22        27
+  CB_TTR_3    N_TTR_4     1 7.995468e-03 5.493590e-05 ; 0.436016  2.909186e-01     0.816755        0.000402      0.004451  8.927042e-03       False fibril_MD        22        28
+  CB_TTR_3   CA_TTR_4     1 1.364693e-02 3.458225e-04 ; 0.541963  1.346346e-01     0.824332        0.003025      0.004451  2.411251e-04       False fibril_MD        22        29
+  CB_TTR_3   CB_TTR_4     1 0.000000e+00 3.412730e-04 ; 0.514152 -3.412730e-04     0.013754        0.003140      0.004451  2.411251e-04       False fibril_MD        22        30
+  CB_TTR_3    C_TTR_4     1 6.292199e-03 8.081870e-05 ; 0.483933  1.224709e-01     0.101963        0.000621      0.004451  2.411251e-04       False fibril_MD        22        31
+  CB_TTR_3    O_TTR_4     1 3.290987e-03 1.885856e-05 ; 0.423023  1.435766e-01     0.246781        0.000624      0.004451  2.411251e-04       False fibril_MD        22        32
+  CB_TTR_3    N_TTR_5     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000335        0.000477      0.004451  2.411251e-04       False fibril_MD        22        33
+  CB_TTR_3   CA_TTR_5     1 0.000000e+00 8.471548e-04 ; 0.554622 -8.471548e-04     0.011230        0.003028      0.004451  2.411251e-04       False fibril_MD        22        34
+  CB_TTR_3   CB_TTR_5     1 0.000000e+00 1.759863e-04 ; 0.486545 -1.759863e-04     0.009688        0.002988      0.004451  2.411251e-04       False fibril_MD        22        35
+  CB_TTR_3    C_TTR_5     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000579      0.004451  2.411251e-04       False fibril_MD        22        36
+  CB_TTR_3    O_TTR_5     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000667      0.004451  2.411251e-04       False fibril_MD        22        37
+  CB_TTR_3   CG_TTR_6     1 2.458866e-02 7.764034e-04 ; 0.562202  1.946804e-01     0.059483        0.003920      0.004451  1.562735e-02       False fibril_MD        22        41
+  CB_TTR_3  CD1_TTR_6     1 1.659051e-02 2.526326e-04 ; 0.497857  2.723769e-01     0.216465        0.003267      0.004451  2.152199e-02       False fibril_MD        22        42
+  CB_TTR_3  CD2_TTR_6     1 1.659051e-02 2.526326e-04 ; 0.497857  2.723769e-01     0.216465        0.003267      0.004451  2.152199e-02       False fibril_MD        22        43
+  CB_TTR_3   CA_TTR_8     1 9.712122e-03 3.086402e-04 ; 0.562803  7.640394e-02     0.005040        0.002705      0.004451  2.062451e-02       False fibril_MD        22        55
+  CB_TTR_3   CB_TTR_8     1 2.156238e-02 3.790774e-04 ; 0.509924  3.066236e-01     0.451164        0.003278      0.004451  2.016434e-02       False fibril_MD        22        56
+  CB_TTR_3   OG_TTR_8     1 7.217810e-03 4.685970e-05 ; 0.431916  2.779402e-01     0.225745        0.001982      0.004451  2.290610e-02       False fibril_MD        22        57
   CB_TTR_3    O_TTR_8     1 9.664910e-04 2.556053e-06 ; 0.371874  9.136203e-02     0.004158        0.001307      0.001408  6.281274e-03        True native_MD        22        59
-  CB_TTR_3   CB_TTR_9     1 1.196585e-02 2.572315e-04 ; 0.527307  1.391562e-01     0.021584        0.002530      0.004451  1.039986e-02       False fibril_MD        22        62
-  CB_TTR_3   CG_TTR_9     1 1.688576e-02 3.658717e-04 ; 0.528001  1.948285e-01     0.068555        0.002917      0.004451  1.251007e-02       False fibril_MD        22        63
+  CB_TTR_3   CB_TTR_9     1 1.196585e-02 2.572315e-04 ; 0.527307  1.391562e-01     0.021584        0.003060      0.004451  1.039986e-02       False fibril_MD        22        62
+  CB_TTR_3   CG_TTR_9     1 1.688576e-02 3.658717e-04 ; 0.528001  1.948285e-01     0.068555        0.003618      0.004451  1.251007e-02       False fibril_MD        22        63
   CB_TTR_3  CA_TTR_10     1 3.559999e-03 3.255571e-05 ; 0.457295  9.732236e-02     0.006277        0.003765      0.001408  4.204789e-03        True native_MD        22        68
   CB_TTR_3 CD1_TTR_10     1 9.219528e-04 2.123062e-06 ; 0.363392  1.000909e-01     0.006473        0.003646      0.001408  6.281093e-03        True native_MD        22        71
   CB_TTR_3 CD2_TTR_10     1 9.219528e-04 2.123062e-06 ; 0.363392  1.000909e-01     0.006473        0.003646      0.001408  6.281093e-03        True native_MD        22        72
-  CB_TTR_3 CE1_TTR_10     1 9.266874e-03 8.912195e-05 ; 0.461150  2.408917e-01     0.162108        0.002181      0.004451  1.488354e-02       False fibril_MD        22        73
-  CB_TTR_3 CE2_TTR_10     1 9.266874e-03 8.912195e-05 ; 0.461150  2.408917e-01     0.162108        0.002181      0.004451  1.488354e-02       False fibril_MD        22        74
-  CB_TTR_3  CZ_TTR_10     1 9.797966e-03 8.269411e-05 ; 0.451221  2.902266e-01     0.485685        0.002299      0.004451  1.410174e-02       False fibril_MD        22        75
-  CB_TTR_3  OH_TTR_10     1 2.149370e-03 3.639760e-06 ; 0.345245  3.173142e-01     0.940733        0.002112      0.004451  1.317631e-02       False fibril_MD        22        76
+  CB_TTR_3 CE1_TTR_10     1 9.266874e-03 8.912195e-05 ; 0.461150  2.408917e-01     0.162108        0.002619      0.004451  1.488354e-02       False fibril_MD        22        73
+  CB_TTR_3 CE2_TTR_10     1 9.266874e-03 8.912195e-05 ; 0.461150  2.408917e-01     0.162108        0.002619      0.004451  1.488354e-02       False fibril_MD        22        74
+  CB_TTR_3  CZ_TTR_10     1 9.797966e-03 8.269411e-05 ; 0.451221  2.902266e-01     0.485685        0.002770      0.004451  1.410174e-02       False fibril_MD        22        75
+  CB_TTR_3  OH_TTR_10     1 2.149370e-03 3.639760e-06 ; 0.345245  3.173142e-01     0.940733        0.002649      0.004451  1.317631e-02       False fibril_MD        22        76
   CB_TTR_3  CA_TTR_11     1 5.449641e-03 7.795841e-05 ; 0.492700  9.523854e-02     0.005601        0.002432      0.001408  4.204789e-03        True native_MD        22        80
   CB_TTR_3  CB_TTR_11     1 3.059408e-03 2.481117e-05 ; 0.448231  9.431213e-02     0.005055        0.002647      0.001408  5.203740e-03        True native_MD        22        81
   CB_TTR_3   C_TTR_11     1 8.900563e-04 2.549677e-06 ; 0.376858  7.767653e-02     0.002078        0.000755      0.001408  6.281093e-03        True native_MD        22        83
   CB_TTR_3  O1_TTR_11     1 5.509343e-04 1.019950e-06 ; 0.350413  7.439786e-02     0.001759        0.000445      0.001408  6.281320e-03        True native_MD        22        84
   CB_TTR_3  O2_TTR_11     1 5.509343e-04 1.019950e-06 ; 0.350413  7.439786e-02     0.001759        0.000445      0.001408  6.281320e-03        True native_MD        22        85
- CG1_TTR_3  CG1_TTR_3     1 4.425175e-03 1.653105e-05 ; 0.393908  2.961422e-01     0.913377        0.000328      0.004451  9.017767e-03       False fibril_MD        23        23
- CG1_TTR_3  CG2_TTR_3     1 2.720287e-03 6.078242e-06 ; 0.361571  3.043627e-01     0.988303        0.000561      0.004451  9.945019e-03       False fibril_MD        23        24
- CG1_TTR_3   CD_TTR_3     1 3.403451e-03 9.624165e-06 ; 0.376046  3.008956e-01     0.912385        0.000730      0.004451  9.945019e-03       False fibril_MD        23        25
- CG1_TTR_3    C_TTR_3     1 5.511508e-03 2.814734e-05 ; 0.414981  2.698010e-01     0.445493        0.000065      0.004451  9.945448e-03       False fibril_MD        23        26
- CG1_TTR_3    O_TTR_3     1 1.098126e-03 1.642495e-06 ; 0.338175  1.835442e-01     0.503888        0.000109      0.004451  2.411251e-04       False fibril_MD        23        27
- CG1_TTR_3    N_TTR_4     1 2.313444e-03 1.240281e-05 ; 0.418354  1.078793e-01     0.021560        0.000013      0.004451  2.411251e-04       False fibril_MD        23        28
- CG1_TTR_3   CA_TTR_4     1 9.930496e-03 1.675113e-04 ; 0.506422  1.471763e-01     0.196186        0.000427      0.004451  2.411251e-04       False fibril_MD        23        29
- CG1_TTR_3   CB_TTR_4     1 0.000000e+00 1.151981e-05 ; 0.387662 -1.151981e-05     0.000110        0.000591      0.004451  2.411251e-04       False fibril_MD        23        30
- CG1_TTR_3    C_TTR_4     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.002499        0.000048      0.004451  2.411251e-04       False fibril_MD        23        31
- CG1_TTR_3    O_TTR_4     1 1.927606e-03 7.839737e-06 ; 0.399528  1.184882e-01     0.033539        0.000078      0.004451  2.411251e-04       False fibril_MD        23        32
- CG1_TTR_3    N_TTR_5     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000647        0.000059      0.004451  2.411251e-04       False fibril_MD        23        33
- CG1_TTR_3   CA_TTR_5     1 0.000000e+00 4.725444e-04 ; 0.528287 -4.725444e-04     0.011638        0.000631      0.004451  2.411251e-04       False fibril_MD        23        34
- CG1_TTR_3   CB_TTR_5     1 4.460369e-03 4.915704e-05 ; 0.471740  1.011803e-01     0.050327        0.000744      0.004451  2.411251e-04       False fibril_MD        23        35
- CG1_TTR_3    C_TTR_5     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000141      0.004451  2.411251e-04       False fibril_MD        23        36
- CG1_TTR_3    O_TTR_5     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000186      0.004451  2.411251e-04       False fibril_MD        23        37
- CG1_TTR_3   CG_TTR_6     1 1.921449e-02 3.384133e-04 ; 0.510078  2.727408e-01     0.281230        0.002327      0.004451  1.673933e-02       False fibril_MD        23        41
- CG1_TTR_3  CD1_TTR_6     1 7.876913e-03 4.997218e-05 ; 0.430258  3.104015e-01     0.425409        0.001776      0.004451  2.251466e-02       False fibril_MD        23        42
- CG1_TTR_3  CD2_TTR_6     1 7.876913e-03 4.997218e-05 ; 0.430258  3.104015e-01     0.425409        0.001776      0.004451  2.251466e-02       False fibril_MD        23        43
+ CG1_TTR_3  CG1_TTR_3     1 4.425175e-03 1.653105e-05 ; 0.393908  2.961422e-01     0.913377        0.001275      0.004451  9.017767e-03       False fibril_MD        23        23
+ CG1_TTR_3  CG2_TTR_3     1 2.720287e-03 6.078242e-06 ; 0.361571  3.043627e-01     0.988303        0.002120      0.004451  9.945019e-03       False fibril_MD        23        24
+ CG1_TTR_3   CD_TTR_3     1 3.403451e-03 9.624165e-06 ; 0.376046  3.008956e-01     0.912385        0.002347      0.004451  9.945019e-03       False fibril_MD        23        25
+ CG1_TTR_3    C_TTR_3     1 5.511508e-03 2.814734e-05 ; 0.414981  2.698010e-01     0.445493        0.000619      0.004451  9.945448e-03       False fibril_MD        23        26
+ CG1_TTR_3    O_TTR_3     1 9.392050e-04 1.404792e-06 ; 0.338175  1.569816e-01     0.503888        0.000729      0.004451  2.411251e-04       False fibril_MD        23        27
+ CG1_TTR_3    N_TTR_4     1 1.986513e-03 1.065007e-05 ; 0.418354  9.263403e-02     0.021560        0.000455      0.004451  2.411251e-04       False fibril_MD        23        28
+ CG1_TTR_3   CA_TTR_4     1 6.892690e-03 1.162685e-04 ; 0.506422  1.021540e-01     0.196186        0.002785      0.004451  2.411251e-04       False fibril_MD        23        29
+ CG1_TTR_3   CB_TTR_4     1 0.000000e+00 1.151981e-05 ; 0.387662 -1.151981e-05     0.000110        0.002763      0.004451  2.411251e-04       False fibril_MD        23        30
+ CG1_TTR_3    C_TTR_4     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.002499        0.000719      0.004451  2.411251e-04       False fibril_MD        23        31
+ CG1_TTR_3    O_TTR_4     1 1.534314e-03 6.240187e-06 ; 0.399528  9.431291e-02     0.033539        0.000660      0.004451  2.411251e-04       False fibril_MD        23        32
+ CG1_TTR_3    N_TTR_5     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000647        0.000503      0.004451  2.411251e-04       False fibril_MD        23        33
+ CG1_TTR_3   CA_TTR_5     1 0.000000e+00 4.725444e-04 ; 0.528287 -4.725444e-04     0.011638        0.002728      0.004451  2.411251e-04       False fibril_MD        23        34
+ CG1_TTR_3   CB_TTR_5     1 3.089484e-03 3.404873e-05 ; 0.471740  7.008272e-02     0.050327        0.002717      0.004451  2.411251e-04       False fibril_MD        23        35
+ CG1_TTR_3    C_TTR_5     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000686      0.004451  2.411251e-04       False fibril_MD        23        36
+ CG1_TTR_3    O_TTR_5     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000717      0.004451  2.411251e-04       False fibril_MD        23        37
+ CG1_TTR_3   CG_TTR_6     1 1.921449e-02 3.384133e-04 ; 0.510078  2.727408e-01     0.281230        0.003417      0.004451  1.673933e-02       False fibril_MD        23        41
+ CG1_TTR_3  CD1_TTR_6     1 7.876913e-03 4.997218e-05 ; 0.430258  3.104015e-01     0.425409        0.002863      0.004451  2.251466e-02       False fibril_MD        23        42
+ CG1_TTR_3  CD2_TTR_6     1 7.876913e-03 4.997218e-05 ; 0.430258  3.104015e-01     0.425409        0.002863      0.004451  2.251466e-02       False fibril_MD        23        43
  CG1_TTR_3    C_TTR_7     1 1.148142e-03 2.874417e-06 ; 0.368490  1.146520e-01     0.012375        0.002324      0.001408  7.688303e-03        True native_MD        23        52
- CG1_TTR_3   CA_TTR_8     1 1.663947e-02 3.477206e-04 ; 0.524826  1.990622e-01     0.050151        0.002142      0.004451  2.344519e-02       False fibril_MD        23        55
- CG1_TTR_3   CB_TTR_8     1 1.031414e-02 7.904062e-05 ; 0.444020  3.364773e-01     0.720824        0.002349      0.004451  2.196816e-02       False fibril_MD        23        56
- CG1_TTR_3   OG_TTR_8     1 3.700337e-03 1.086731e-05 ; 0.378425  3.149927e-01     0.515542        0.001529      0.004451  2.066380e-02       False fibril_MD        23        57
+ CG1_TTR_3   CA_TTR_8     1 1.663947e-02 3.477206e-04 ; 0.524826  1.990622e-01     0.050151        0.002424      0.004451  2.344519e-02       False fibril_MD        23        55
+ CG1_TTR_3   CB_TTR_8     1 1.031414e-02 7.904062e-05 ; 0.444020  3.364773e-01     0.720824        0.002753      0.004451  2.196816e-02       False fibril_MD        23        56
+ CG1_TTR_3   OG_TTR_8     1 3.700337e-03 1.086731e-05 ; 0.378425  3.149927e-01     0.515542        0.001700      0.004451  2.066380e-02       False fibril_MD        23        57
  CG1_TTR_3  CB_TTR_10     1 7.943387e-04 2.106268e-06 ; 0.372036  7.489240e-02     0.001802        0.003449      0.001408  6.403102e-03        True native_MD        23        69
- CG1_TTR_3 CD1_TTR_10     1 6.072260e-03 4.837562e-05 ; 0.446902  1.905523e-01     0.058590        0.001600      0.004451  1.389751e-02       False fibril_MD        23        71
- CG1_TTR_3 CD2_TTR_10     1 6.072260e-03 4.837562e-05 ; 0.446902  1.905523e-01     0.058590        0.001600      0.004451  1.389751e-02       False fibril_MD        23        72
- CG1_TTR_3 CE1_TTR_10     1 3.325235e-03 9.981747e-06 ; 0.379808  2.769351e-01     0.337158        0.001879      0.004451  1.526191e-02       False fibril_MD        23        73
- CG1_TTR_3 CE2_TTR_10     1 3.325235e-03 9.981747e-06 ; 0.379808  2.769351e-01     0.337158        0.001879      0.004451  1.526191e-02       False fibril_MD        23        74
- CG1_TTR_3  CZ_TTR_10     1 3.562331e-03 1.045241e-05 ; 0.378367  3.035235e-01     0.596991        0.002035      0.004451  1.506277e-02       False fibril_MD        23        75
- CG1_TTR_3  OH_TTR_10     1 9.579383e-04 7.310531e-07 ; 0.302298  3.138095e-01     0.871059        0.001819      0.004451  1.318804e-02       False fibril_MD        23        76
- CG2_TTR_3  CG2_TTR_3     1 2.938485e-03 7.081813e-06 ; 0.366159  3.048194e-01     0.889817        0.000328      0.004451  1.097310e-02       False fibril_MD        24        24
- CG2_TTR_3   CD_TTR_3     1 2.787493e-03 6.321429e-06 ; 0.362466  3.072927e-01     0.940881        0.000816      0.004451  1.097310e-02       False fibril_MD        24        25
- CG2_TTR_3    C_TTR_3     1 6.990799e-03 4.123311e-05 ; 0.425063  2.963108e-01     0.734360        0.000066      0.004451  1.097358e-02       False fibril_MD        24        26
- CG2_TTR_3    O_TTR_3     1 1.379934e-03 2.494531e-06 ; 0.349024  1.908394e-01     0.682803        0.000117      0.004451  2.411251e-04       False fibril_MD        24        27
- CG2_TTR_3    N_TTR_4     1 2.693754e-03 1.047998e-05 ; 0.396583  1.730994e-01     0.326137        0.000040      0.004451  2.411251e-04       False fibril_MD        24        28
- CG2_TTR_3   CA_TTR_4     1 1.128135e-02 1.812780e-04 ; 0.502339  1.755162e-01     0.435280        0.000291      0.004451  2.411251e-04       False fibril_MD        24        29
- CG2_TTR_3   CB_TTR_4     1 0.000000e+00 8.595562e-06 ; 0.378317 -8.595562e-06     0.000583        0.000426      0.004451  2.411251e-04       False fibril_MD        24        30
- CG2_TTR_3    C_TTR_4     1 3.844146e-03 2.604375e-05 ; 0.434995  1.418523e-01     0.088752        0.000047      0.004451  2.411251e-04       False fibril_MD        24        31
- CG2_TTR_3    O_TTR_4     1 1.398830e-03 2.895752e-06 ; 0.356998  1.689306e-01     0.274152        0.000061      0.004451  2.411251e-04       False fibril_MD        24        32
- CG2_TTR_3    N_TTR_5     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000939        0.000042      0.004451  2.411251e-04       False fibril_MD        24        33
- CG2_TTR_3   CA_TTR_5     1 7.465593e-03 1.198267e-04 ; 0.502244  1.162827e-01     0.052150        0.000411      0.004451  2.411251e-04       False fibril_MD        24        34
- CG2_TTR_3   CB_TTR_5     1 3.408762e-03 2.556890e-05 ; 0.442438  1.136113e-01     0.057330        0.000505      0.004451  2.411251e-04       False fibril_MD        24        35
- CG2_TTR_3    C_TTR_5     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000118      0.004451  2.411251e-04       False fibril_MD        24        36
- CG2_TTR_3    O_TTR_5     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000000        0.000143      0.004451  2.411251e-04       False fibril_MD        24        37
- CG2_TTR_3   CG_TTR_6     1 1.524559e-02 1.966028e-04 ; 0.484255  2.955555e-01     0.393630        0.001613      0.004451  1.878983e-02       False fibril_MD        24        41
- CG2_TTR_3  CD1_TTR_6     1 4.310657e-03 1.444483e-05 ; 0.386837  3.215989e-01     0.476383        0.001238      0.004451  2.436234e-02       False fibril_MD        24        42
- CG2_TTR_3  CD2_TTR_6     1 4.310657e-03 1.444483e-05 ; 0.386837  3.215989e-01     0.476383        0.001238      0.004451  2.436234e-02       False fibril_MD        24        43
+ CG1_TTR_3 CD1_TTR_10     1 6.072260e-03 4.837562e-05 ; 0.446902  1.905523e-01     0.058590        0.001892      0.004451  1.389751e-02       False fibril_MD        23        71
+ CG1_TTR_3 CD2_TTR_10     1 6.072260e-03 4.837562e-05 ; 0.446902  1.905523e-01     0.058590        0.001892      0.004451  1.389751e-02       False fibril_MD        23        72
+ CG1_TTR_3 CE1_TTR_10     1 3.325235e-03 9.981747e-06 ; 0.379808  2.769351e-01     0.337158        0.002268      0.004451  1.526191e-02       False fibril_MD        23        73
+ CG1_TTR_3 CE2_TTR_10     1 3.325235e-03 9.981747e-06 ; 0.379808  2.769351e-01     0.337158        0.002268      0.004451  1.526191e-02       False fibril_MD        23        74
+ CG1_TTR_3  CZ_TTR_10     1 3.562331e-03 1.045241e-05 ; 0.378367  3.035235e-01     0.596991        0.002311      0.004451  1.506277e-02       False fibril_MD        23        75
+ CG1_TTR_3  OH_TTR_10     1 9.579383e-04 7.310531e-07 ; 0.302298  3.138095e-01     0.871059        0.002233      0.004451  1.318804e-02       False fibril_MD        23        76
+ CG2_TTR_3  CG2_TTR_3     1 2.938485e-03 7.081813e-06 ; 0.366159  3.048194e-01     0.889817        0.000986      0.004451  1.097310e-02       False fibril_MD        24        24
+ CG2_TTR_3   CD_TTR_3     1 2.787493e-03 6.321429e-06 ; 0.362466  3.072927e-01     0.940881        0.002576      0.004451  1.097310e-02       False fibril_MD        24        25
+ CG2_TTR_3    C_TTR_3     1 6.990799e-03 4.123311e-05 ; 0.425063  2.963108e-01     0.734360        0.000656      0.004451  1.097358e-02       False fibril_MD        24        26
+ CG2_TTR_3    O_TTR_3     1 1.198672e-03 2.166859e-06 ; 0.349024  1.657715e-01     0.682803        0.000685      0.004451  2.411251e-04       False fibril_MD        24        27
+ CG2_TTR_3    N_TTR_4     1 2.391135e-03 9.302647e-06 ; 0.396583  1.536532e-01     0.326137        0.000542      0.004451  2.411251e-04       False fibril_MD        24        28
+ CG2_TTR_3   CA_TTR_4     1 7.957452e-03 1.278668e-04 ; 0.502339  1.238027e-01     0.435280        0.002508      0.004451  2.411251e-04       False fibril_MD        24        29
+ CG2_TTR_3   CB_TTR_4     1 0.000000e+00 8.595562e-06 ; 0.378317 -8.595562e-06     0.000583        0.002418      0.004451  2.411251e-04       False fibril_MD        24        30
+ CG2_TTR_3    C_TTR_4     1 3.058979e-03 2.072431e-05 ; 0.434995  1.128789e-01     0.088752        0.000806      0.004451  2.411251e-04       False fibril_MD        24        31
+ CG2_TTR_3    O_TTR_4     1 1.213333e-03 2.511751e-06 ; 0.356998  1.465289e-01     0.274152        0.000613      0.004451  2.411251e-04       False fibril_MD        24        32
+ CG2_TTR_3    N_TTR_5     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000939        0.000668      0.004451  2.411251e-04       False fibril_MD        24        33
+ CG2_TTR_3   CA_TTR_5     1 4.673391e-03 7.501039e-05 ; 0.502244  7.279185e-02     0.052150        0.002515      0.004451  2.411251e-04       False fibril_MD        24        34
+ CG2_TTR_3   CB_TTR_5     1 2.308212e-03 1.731374e-05 ; 0.442438  7.693084e-02     0.057330        0.002327      0.004451  2.411251e-04       False fibril_MD        24        35
+ CG2_TTR_3    C_TTR_5     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000708      0.004451  2.411251e-04       False fibril_MD        24        36
+ CG2_TTR_3    O_TTR_5     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000000        0.000683      0.004451  2.411251e-04       False fibril_MD        24        37
+ CG2_TTR_3   CG_TTR_6     1 1.524559e-02 1.966028e-04 ; 0.484255  2.955555e-01     0.393630        0.003210      0.004451  1.878983e-02       False fibril_MD        24        41
+ CG2_TTR_3  CD1_TTR_6     1 4.310657e-03 1.444483e-05 ; 0.386837  3.215989e-01     0.476383        0.002636      0.004451  2.436234e-02       False fibril_MD        24        42
+ CG2_TTR_3  CD2_TTR_6     1 4.310657e-03 1.444483e-05 ; 0.386837  3.215989e-01     0.476383        0.002636      0.004451  2.436234e-02       False fibril_MD        24        43
  CG2_TTR_3    C_TTR_7     1 8.143792e-04 1.175777e-06 ; 0.336189  1.410160e-01     0.039354        0.005218      0.001408  9.186744e-03        True native_MD        24        52
  CG2_TTR_3    O_TTR_7     1 4.245069e-04 3.339011e-07 ; 0.303824  1.349247e-01     0.029574        0.004882      0.001408  9.186994e-03        True native_MD        24        53
  CG2_TTR_3    N_TTR_8     1 6.166513e-04 6.772999e-07 ; 0.321211  1.403584e-01     0.038158        0.003280      0.001408  9.186876e-03        True native_MD        24        54
- CG2_TTR_3   CB_TTR_8     1 1.094071e-02 1.025123e-04 ; 0.459150  2.919142e-01     0.261860        0.001866      0.004451  2.541786e-02       False fibril_MD        24        56
- CG2_TTR_3   OG_TTR_8     1 3.382968e-03 1.006775e-05 ; 0.379262  2.841863e-01     0.210639        0.001204      0.004451  2.728130e-02       False fibril_MD        24        57
+ CG2_TTR_3   CB_TTR_8     1 1.094071e-02 1.025123e-04 ; 0.459150  2.919142e-01     0.261860        0.002621      0.004451  2.541786e-02       False fibril_MD        24        56
+ CG2_TTR_3   OG_TTR_8     1 3.382968e-03 1.006775e-05 ; 0.379262  2.841863e-01     0.210639        0.001760      0.004451  2.728130e-02       False fibril_MD        24        57
  CG2_TTR_3    O_TTR_8     1 3.957049e-04 4.108872e-07 ; 0.318218  9.527091e-02     0.004605        0.002046      0.001408  9.186994e-03        True native_MD        24        59
  CG2_TTR_3    C_TTR_9     1 8.230533e-04 1.981492e-06 ; 0.366095  8.546800e-02     0.002908        0.001355      0.001408  9.186744e-03        True native_MD        24        65
  CG2_TTR_3   N_TTR_10     1 3.055702e-04 2.850063e-07 ; 0.312577  8.190446e-02     0.002460        0.001309      0.001408  9.186876e-03        True native_MD        24        67
  CG2_TTR_3  CA_TTR_10     1 1.341396e-03 4.522860e-06 ; 0.387236  9.945830e-02     0.006269        0.003261      0.001408  6.280581e-03        True native_MD        24        68
  CG2_TTR_3 CD1_TTR_10     1 5.064413e-04 6.347428e-07 ; 0.328356  1.010184e-01     0.006030        0.003425      0.001408  9.186744e-03        True native_MD        24        71
  CG2_TTR_3 CD2_TTR_10     1 5.064413e-04 6.347428e-07 ; 0.328356  1.010184e-01     0.006030        0.003425      0.001408  9.186744e-03        True native_MD        24        72
- CG2_TTR_3 CE1_TTR_10     1 3.443809e-03 1.385182e-05 ; 0.398790  2.140481e-01     0.091799        0.001708      0.004451  1.496518e-02       False fibril_MD        24        73
- CG2_TTR_3 CE2_TTR_10     1 3.443809e-03 1.385182e-05 ; 0.398790  2.140481e-01     0.091799        0.001708      0.004451  1.496518e-02       False fibril_MD        24        74
- CG2_TTR_3  CZ_TTR_10     1 4.942829e-03 2.286244e-05 ; 0.408186  2.671583e-01     0.287727        0.001883      0.004451  1.456737e-02       False fibril_MD        24        75
- CG2_TTR_3  OH_TTR_10     1 9.827090e-04 8.355455e-07 ; 0.307792  2.889481e-01     0.510723        0.001634      0.004451  1.313783e-02       False fibril_MD        24        76
+ CG2_TTR_3 CE1_TTR_10     1 3.443809e-03 1.385182e-05 ; 0.398790  2.140481e-01     0.091799        0.002253      0.004451  1.496518e-02       False fibril_MD        24        73
+ CG2_TTR_3 CE2_TTR_10     1 3.443809e-03 1.385182e-05 ; 0.398790  2.140481e-01     0.091799        0.002253      0.004451  1.496518e-02       False fibril_MD        24        74
+ CG2_TTR_3  CZ_TTR_10     1 4.942829e-03 2.286244e-05 ; 0.408186  2.671583e-01     0.287727        0.002380      0.004451  1.456737e-02       False fibril_MD        24        75
+ CG2_TTR_3  OH_TTR_10     1 9.827090e-04 8.355455e-07 ; 0.307792  2.889481e-01     0.510723        0.002194      0.004451  1.313783e-02       False fibril_MD        24        76
  CG2_TTR_3   N_TTR_11     1 4.269837e-04 5.028091e-07 ; 0.324962  9.064826e-02     0.003707        0.000536      0.001408  9.186876e-03        True native_MD        24        79
  CG2_TTR_3  CA_TTR_11     1 1.222144e-03 3.789020e-06 ; 0.381857  9.855025e-02     0.005987        0.002111      0.001408  6.280581e-03        True native_MD        24        80
  CG2_TTR_3  CB_TTR_11     1 6.604524e-04 1.096910e-06 ; 0.344129  9.941505e-02     0.005894        0.002118      0.001408  7.687693e-03        True native_MD        24        81
@@ -1124,80 +1124,80 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
  CG2_TTR_3   C_TTR_11     1 5.480522e-04 8.129177e-07 ; 0.337705  9.237135e-02     0.004020        0.000731      0.001408  9.186744e-03        True native_MD        24        83
  CG2_TTR_3  O1_TTR_11     1 1.924279e-04 1.109678e-07 ; 0.288506  8.342173e-02     0.002642        0.000539      0.001408  9.187057e-03        True native_MD        24        84
  CG2_TTR_3  O2_TTR_11     1 1.924279e-04 1.109678e-07 ; 0.288506  8.342173e-02     0.002642        0.000539      0.001408  9.187057e-03        True native_MD        24        85
-  CD_TTR_3   CD_TTR_3     1 2.890360e-03 6.884670e-06 ; 0.365445  3.033617e-01     0.861028        0.000696      0.004451  1.097310e-02       False fibril_MD        25        25
-  CD_TTR_3    C_TTR_3     1 2.597909e-03 1.180713e-05 ; 0.406993  1.429037e-01     0.092725        0.000173      0.004451  2.411251e-04       False fibril_MD        25        26
-  CD_TTR_3    O_TTR_3     1 8.474882e-04 1.265967e-06 ; 0.338102  1.418355e-01     0.088690        0.000210      0.004451  2.411251e-04       False fibril_MD        25        27
-  CD_TTR_3    N_TTR_4     1 1.255535e-03 5.618660e-06 ; 0.405945  7.013984e-02     0.004477        0.000111      0.004451  2.411251e-04       False fibril_MD        25        28
-  CD_TTR_3   CA_TTR_4     1 4.565707e-03 5.812301e-05 ; 0.483215  8.966192e-02     0.028721        0.000686      0.004451  2.411251e-04       False fibril_MD        25        29
-  CD_TTR_3   CB_TTR_4     1 0.000000e+00 8.595562e-06 ; 0.378317 -8.595562e-06     0.000005        0.000774      0.004451  2.411251e-04       False fibril_MD        25        30
-  CD_TTR_3    C_TTR_4     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.002505        0.000183      0.004451  2.411251e-04       False fibril_MD        25        31
-  CD_TTR_3    O_TTR_4     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.003606        0.000194      0.004451  2.411251e-04       False fibril_MD        25        32
-  CD_TTR_3    N_TTR_5     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.001686        0.000120      0.004451  2.411251e-04       False fibril_MD        25        33
-  CD_TTR_3   CA_TTR_5     1 0.000000e+00 4.747582e-04 ; 0.528493 -4.747582e-04     0.010957        0.000970      0.004451  2.411251e-04       False fibril_MD        25        34
-  CD_TTR_3   CB_TTR_5     1 2.690690e-03 1.881780e-05 ; 0.437305  9.618303e-02     0.053395        0.000972      0.004451  2.411251e-04       False fibril_MD        25        35
-  CD_TTR_3    C_TTR_5     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000292      0.004451  2.411251e-04       False fibril_MD        25        36
-  CD_TTR_3    O_TTR_5     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000000        0.000300      0.004451  2.411251e-04       False fibril_MD        25        37
-  CD_TTR_3   CB_TTR_6     1 6.802288e-03 8.872048e-05 ; 0.485171  1.303846e-01     0.015723        0.001589      0.004451  1.530063e-02       False fibril_MD        25        40
-  CD_TTR_3   CG_TTR_6     1 8.436458e-03 5.815660e-05 ; 0.436254  3.059576e-01     0.527521        0.002745      0.004451  1.746795e-02       False fibril_MD        25        41
-  CD_TTR_3  CD1_TTR_6     1 2.492968e-03 4.739771e-06 ; 0.351971  3.278053e-01     0.618638        0.002082      0.004451  2.175312e-02       False fibril_MD        25        42
-  CD_TTR_3  CD2_TTR_6     1 2.492968e-03 4.739771e-06 ; 0.351971  3.278053e-01     0.618638        0.002082      0.004451  2.175312e-02       False fibril_MD        25        43
-  CD_TTR_3   CG_TTR_7     1 9.263404e-03 1.462575e-04 ; 0.500869  1.466774e-01     0.021722        0.003088      0.004451  1.600717e-02       False fibril_MD        25        49
-  CD_TTR_3  CD1_TTR_7     1 3.967014e-03 1.740851e-05 ; 0.404622  2.259987e-01     0.102207        0.002299      0.004451  1.799218e-02       False fibril_MD        25        50
-  CD_TTR_3  CD2_TTR_7     1 3.967014e-03 1.740851e-05 ; 0.404622  2.259987e-01     0.102207        0.002299      0.004451  1.799218e-02       False fibril_MD        25        51
+  CD_TTR_3   CD_TTR_3     1 2.890360e-03 6.884670e-06 ; 0.365445  3.033617e-01     0.861028        0.001850      0.004451  1.097310e-02       False fibril_MD        25        25
+  CD_TTR_3    C_TTR_3     1 1.951623e-03 8.869853e-06 ; 0.406993  1.073533e-01     0.092725        0.001060      0.004451  2.411251e-04       False fibril_MD        25        26
+  CD_TTR_3    O_TTR_3     1 6.400262e-04 9.560629e-07 ; 0.338102  1.071147e-01     0.088690        0.001024      0.004451  2.411251e-04       False fibril_MD        25        27
+  CD_TTR_3    N_TTR_4     1 0.000000e+00 1.579611e-05 ; 0.397996 -1.579611e-05     0.004477        0.000983      0.004451  2.411251e-04       False fibril_MD        25        28
+  CD_TTR_3   CA_TTR_4     1 0.000000e+00 2.565231e-04 ; 0.502066 -2.565231e-04     0.028721        0.003452      0.004451  2.411251e-04       False fibril_MD        25        29
+  CD_TTR_3   CB_TTR_4     1 0.000000e+00 8.595562e-06 ; 0.378317 -8.595562e-06     0.000005        0.003089      0.004451  2.411251e-04       False fibril_MD        25        30
+  CD_TTR_3    C_TTR_4     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.002505        0.001246      0.004451  2.411251e-04       False fibril_MD        25        31
+  CD_TTR_3    O_TTR_4     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.003606        0.000998      0.004451  2.411251e-04       False fibril_MD        25        32
+  CD_TTR_3    N_TTR_5     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.001686        0.000932      0.004451  2.411251e-04       False fibril_MD        25        33
+  CD_TTR_3   CA_TTR_5     1 0.000000e+00 4.747582e-04 ; 0.528493 -4.747582e-04     0.010957        0.003543      0.004451  2.411251e-04       False fibril_MD        25        34
+  CD_TTR_3   CB_TTR_5     1 0.000000e+00 8.496234e-05 ; 0.457898 -8.496234e-05     0.053395        0.003160      0.004451  2.411251e-04       False fibril_MD        25        35
+  CD_TTR_3    C_TTR_5     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.001320      0.004451  2.411251e-04       False fibril_MD        25        36
+  CD_TTR_3    O_TTR_5     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000000        0.001107      0.004451  2.411251e-04       False fibril_MD        25        37
+  CD_TTR_3   CB_TTR_6     1 6.802288e-03 8.872048e-05 ; 0.485171  1.303846e-01     0.015723        0.002467      0.004451  1.530063e-02       False fibril_MD        25        40
+  CD_TTR_3   CG_TTR_6     1 8.436458e-03 5.815660e-05 ; 0.436254  3.059576e-01     0.527521        0.004207      0.004451  1.746795e-02       False fibril_MD        25        41
+  CD_TTR_3  CD1_TTR_6     1 2.492968e-03 4.739771e-06 ; 0.351971  3.278053e-01     0.618638        0.003302      0.004451  2.175312e-02       False fibril_MD        25        42
+  CD_TTR_3  CD2_TTR_6     1 2.492968e-03 4.739771e-06 ; 0.351971  3.278053e-01     0.618638        0.003302      0.004451  2.175312e-02       False fibril_MD        25        43
+  CD_TTR_3   CG_TTR_7     1 9.263404e-03 1.462575e-04 ; 0.500869  1.466774e-01     0.021722        0.004346      0.004451  1.600717e-02       False fibril_MD        25        49
+  CD_TTR_3  CD1_TTR_7     1 3.967014e-03 1.740851e-05 ; 0.404622  2.259987e-01     0.102207        0.003327      0.004451  1.799218e-02       False fibril_MD        25        50
+  CD_TTR_3  CD2_TTR_7     1 3.967014e-03 1.740851e-05 ; 0.404622  2.259987e-01     0.102207        0.003327      0.004451  1.799218e-02       False fibril_MD        25        51
   CD_TTR_3    C_TTR_7     1 8.252488e-04 1.457602e-06 ; 0.347677  1.168075e-01     0.012644        0.004490      0.001408  9.186744e-03        True native_MD        25        52
   CD_TTR_3    O_TTR_7     1 3.603126e-04 2.862070e-07 ; 0.304322  1.134014e-01     0.010778        0.003772      0.001408  9.186994e-03        True native_MD        25        53
-  CD_TTR_3   CA_TTR_8     1 1.476509e-02 1.660430e-04 ; 0.473330  3.282401e-01     0.724933        0.002905      0.004451  1.936376e-02       False fibril_MD        25        55
-  CD_TTR_3   CB_TTR_8     1 2.373489e-03 4.161607e-06 ; 0.347253  3.384178e-01     0.941907        0.002756      0.004451  1.850189e-02       False fibril_MD        25        56
-  CD_TTR_3   OG_TTR_8     1 1.061295e-03 8.512995e-07 ; 0.304818  3.307726e-01     0.907121        0.001838      0.004451  1.694140e-02       False fibril_MD        25        57
-  CD_TTR_3    C_TTR_8     1 4.536617e-03 3.789803e-05 ; 0.450451  1.357649e-01     0.017233        0.001146      0.004451  1.629696e-02       False fibril_MD        25        58
-  CD_TTR_3    O_TTR_8     1 2.570807e-03 9.071558e-06 ; 0.390183  1.821365e-01     0.061077        0.000854      0.004451  9.361943e-03       False fibril_MD        25        59
+  CD_TTR_3   CA_TTR_8     1 1.476509e-02 1.660430e-04 ; 0.473330  3.282401e-01     0.724933        0.003330      0.004451  1.936376e-02       False fibril_MD        25        55
+  CD_TTR_3   CB_TTR_8     1 2.373489e-03 4.161607e-06 ; 0.347253  3.384178e-01     0.941907        0.003296      0.004451  1.850189e-02       False fibril_MD        25        56
+  CD_TTR_3   OG_TTR_8     1 1.061295e-03 8.512995e-07 ; 0.304818  3.307726e-01     0.907121        0.002131      0.004451  1.694140e-02       False fibril_MD        25        57
+  CD_TTR_3    C_TTR_8     1 4.536617e-03 3.789803e-05 ; 0.450451  1.357649e-01     0.017233        0.001051      0.004451  1.629696e-02       False fibril_MD        25        58
+  CD_TTR_3    O_TTR_8     1 2.570807e-03 9.071558e-06 ; 0.390183  1.821365e-01     0.061077        0.000917      0.004451  9.361943e-03       False fibril_MD        25        59
   CD_TTR_3   CB_TTR_9     1 1.352695e-03 4.399446e-06 ; 0.384916  1.039780e-01     0.007360        0.007136      0.001408  7.686516e-03        True native_MD        25        62
   CD_TTR_3    C_TTR_9     1 6.769366e-04 1.393640e-06 ; 0.356670  8.220260e-02     0.002495        0.002025      0.001408  9.186744e-03        True native_MD        25        65
   CD_TTR_3    O_TTR_9     1 2.403283e-04 1.991458e-07 ; 0.306475  7.250682e-02     0.001583        0.001247      0.001408  9.186994e-03        True native_MD        25        66
   CD_TTR_3  CA_TTR_10     1 1.299643e-03 5.188703e-06 ; 0.398296  8.138214e-02     0.002507        0.004776      0.001408  6.280581e-03        True native_MD        25        68
   CD_TTR_3  CB_TTR_10     1 6.413296e-04 1.313443e-06 ; 0.356359  7.828731e-02     0.002107        0.004820      0.001408  7.687693e-03        True native_MD        25        69
-  CD_TTR_3  CG_TTR_10     1 3.176948e-03 2.511954e-05 ; 0.446341  1.004497e-01     0.009031        0.001776      0.004451  9.588038e-03       False fibril_MD        25        70
-  CD_TTR_3 CD1_TTR_10     1 5.090383e-03 2.755306e-05 ; 0.419022  2.351100e-01     0.147238        0.001924      0.004451  1.443223e-02       False fibril_MD        25        71
-  CD_TTR_3 CD2_TTR_10     1 5.090383e-03 2.755306e-05 ; 0.419022  2.351100e-01     0.147238        0.001924      0.004451  1.443223e-02       False fibril_MD        25        72
-  CD_TTR_3 CE1_TTR_10     1 2.138049e-03 3.731919e-06 ; 0.346992  3.062269e-01     0.561765        0.002227      0.004451  1.663870e-02       False fibril_MD        25        73
-  CD_TTR_3 CE2_TTR_10     1 2.138049e-03 3.731919e-06 ; 0.346992  3.062269e-01     0.561765        0.002227      0.004451  1.663870e-02       False fibril_MD        25        74
-  CD_TTR_3  CZ_TTR_10     1 2.977883e-03 6.868840e-06 ; 0.363493  3.227543e-01     0.751460        0.002299      0.004451  1.727665e-02       False fibril_MD        25        75
-  CD_TTR_3  OH_TTR_10     1 8.920811e-04 6.150719e-07 ; 0.297226  3.234617e-01     0.894761        0.002067      0.004451  1.522530e-02       False fibril_MD        25        76
+  CD_TTR_3  CG_TTR_10     1 3.176948e-03 2.511954e-05 ; 0.446341  1.004497e-01     0.009031        0.002069      0.004451  9.588038e-03       False fibril_MD        25        70
+  CD_TTR_3 CD1_TTR_10     1 5.090383e-03 2.755306e-05 ; 0.419022  2.351100e-01     0.147238        0.002384      0.004451  1.443223e-02       False fibril_MD        25        71
+  CD_TTR_3 CD2_TTR_10     1 5.090383e-03 2.755306e-05 ; 0.419022  2.351100e-01     0.147238        0.002384      0.004451  1.443223e-02       False fibril_MD        25        72
+  CD_TTR_3 CE1_TTR_10     1 2.138049e-03 3.731919e-06 ; 0.346992  3.062269e-01     0.561765        0.002743      0.004451  1.663870e-02       False fibril_MD        25        73
+  CD_TTR_3 CE2_TTR_10     1 2.138049e-03 3.731919e-06 ; 0.346992  3.062269e-01     0.561765        0.002743      0.004451  1.663870e-02       False fibril_MD        25        74
+  CD_TTR_3  CZ_TTR_10     1 2.977883e-03 6.868840e-06 ; 0.363493  3.227543e-01     0.751460        0.002829      0.004451  1.727665e-02       False fibril_MD        25        75
+  CD_TTR_3  OH_TTR_10     1 8.920811e-04 6.150719e-07 ; 0.297226  3.234617e-01     0.894761        0.002591      0.004451  1.522530e-02       False fibril_MD        25        76
   CD_TTR_3  CA_TTR_11     1 1.426900e-03 6.558140e-06 ; 0.407754  7.761513e-02     0.002071        0.003146      0.001408  6.280581e-03        True native_MD        25        80
   CD_TTR_3  CB_TTR_11     1 7.590974e-04 1.895251e-06 ; 0.368322  7.600956e-02     0.001886        0.002960      0.001408  7.687693e-03        True native_MD        25        81
-   C_TTR_3    C_TTR_3     1 7.075872e-03 4.106604e-05 ; 0.423920  3.048015e-01     0.889368        0.000000      0.004451  1.097406e-02       False fibril_MD        26        26
-   C_TTR_3    O_TTR_3     1 1.348426e-03 1.466368e-06 ; 0.320678  3.099926e-01     0.999854        0.000007      0.004451  1.097422e-02       False fibril_MD        26        27
-   C_TTR_3    N_TTR_4     1 2.609669e-03 5.492508e-06 ; 0.357984  3.099847e-01     0.999684        0.000000      0.004451  1.097414e-02       False fibril_MD        26        28
-   C_TTR_3   CA_TTR_4     1 8.346131e-03 5.814784e-05 ; 0.437027  2.994862e-01     0.999730        0.000019      0.004451  8.926971e-03       False fibril_MD        26        29
-   C_TTR_3   CB_TTR_4     1 7.146783e-03 4.222847e-05 ; 0.425189  3.023819e-01     0.842162        0.000075      0.004451  1.097358e-02       False fibril_MD        26        30
-   C_TTR_3    C_TTR_4     1 6.887312e-03 4.114194e-05 ; 0.425964  2.882403e-01     0.612085        0.000005      0.004451  1.097406e-02       False fibril_MD        26        31
-   C_TTR_3    O_TTR_4     1 1.667643e-03 3.509848e-06 ; 0.357984  1.980878e-01     0.923445        0.000004      0.004451  2.411251e-04       False fibril_MD        26        32
-   C_TTR_3    N_TTR_5     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000292        0.000007      0.004451  2.411251e-04       False fibril_MD        26        33
-   C_TTR_3   CA_TTR_5     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.002532        0.000063      0.004451  2.411251e-04       False fibril_MD        26        34
-   C_TTR_3   CB_TTR_5     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000708        0.000122      0.004451  2.411251e-04       False fibril_MD        26        35
-   C_TTR_3    C_TTR_5     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        26        36
-   C_TTR_3    O_TTR_5     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000005      0.004451  2.411251e-04       False fibril_MD        26        37
+   C_TTR_3    C_TTR_3     1 7.075872e-03 4.106604e-05 ; 0.423920  3.048015e-01     0.889368        0.000012      0.004451  1.097406e-02       False fibril_MD        26        26
+   C_TTR_3    O_TTR_3     1 1.348426e-03 1.466368e-06 ; 0.320678  3.099926e-01     0.999854        0.000064      0.004451  1.097422e-02       False fibril_MD        26        27
+   C_TTR_3    N_TTR_4     1 2.609669e-03 5.492508e-06 ; 0.357984  3.099847e-01     0.999684        0.000035      0.004451  1.097414e-02       False fibril_MD        26        28
+   C_TTR_3   CA_TTR_4     1 8.346131e-03 5.814784e-05 ; 0.437027  2.994862e-01     0.999730        0.000449      0.004451  8.926971e-03       False fibril_MD        26        29
+   C_TTR_3   CB_TTR_4     1 7.146783e-03 4.222847e-05 ; 0.425189  3.023819e-01     0.842162        0.000906      0.004451  1.097358e-02       False fibril_MD        26        30
+   C_TTR_3    C_TTR_4     1 6.887312e-03 4.114194e-05 ; 0.425964  2.882403e-01     0.612085        0.000023      0.004451  1.097406e-02       False fibril_MD        26        31
+   C_TTR_3    O_TTR_4     1 1.667643e-03 3.509848e-06 ; 0.357984  1.980878e-01     0.923445        0.000080      0.004451  2.411251e-04       False fibril_MD        26        32
+   C_TTR_3    N_TTR_5     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000292        0.000038      0.004451  2.411251e-04       False fibril_MD        26        33
+   C_TTR_3   CA_TTR_5     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.002532        0.000518      0.004451  2.411251e-04       False fibril_MD        26        34
+   C_TTR_3   CB_TTR_5     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000708        0.000846      0.004451  2.411251e-04       False fibril_MD        26        35
+   C_TTR_3    C_TTR_5     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000024      0.004451  2.411251e-04       False fibril_MD        26        36
+   C_TTR_3    O_TTR_5     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000062      0.004451  2.411251e-04       False fibril_MD        26        37
    C_TTR_3   OG_TTR_8     1 4.771992e-04 5.080743e-07 ; 0.319549  1.120501e-01     0.010115        0.003000      0.001408  9.187671e-03        True native_MD        26        57
-   C_TTR_3   CA_TTR_9     1 1.112700e-02 1.576145e-04 ; 0.491892  1.963812e-01     0.087785        0.000324      0.004451  8.926971e-03       False fibril_MD        26        61
-   C_TTR_3   CB_TTR_9     1 6.117262e-03 3.163250e-05 ; 0.415843  2.957472e-01     0.810311        0.000546      0.004451  9.944620e-03       False fibril_MD        26        62
-   C_TTR_3   CG_TTR_9     1 3.076366e-03 7.947325e-06 ; 0.370422  2.977112e-01     0.847843        0.000785      0.004451  9.944620e-03       False fibril_MD        26        63
-   C_TTR_3   CD_TTR_9     1 8.769816e-03 7.607609e-05 ; 0.453290  2.527393e-01     0.300645        0.000406      0.004451  9.944620e-03       False fibril_MD        26        64
+   C_TTR_3   CA_TTR_9     1 1.112700e-02 1.576145e-04 ; 0.491892  1.963812e-01     0.087785        0.000461      0.004451  8.926971e-03       False fibril_MD        26        61
+   C_TTR_3   CB_TTR_9     1 6.117262e-03 3.163250e-05 ; 0.415843  2.957472e-01     0.810311        0.000753      0.004451  9.944620e-03       False fibril_MD        26        62
+   C_TTR_3   CG_TTR_9     1 3.076366e-03 7.947325e-06 ; 0.370422  2.977112e-01     0.847843        0.001137      0.004451  9.944620e-03       False fibril_MD        26        63
+   C_TTR_3   CD_TTR_9     1 8.769816e-03 7.607609e-05 ; 0.453290  2.527393e-01     0.300645        0.000566      0.004451  9.944620e-03       False fibril_MD        26        64
    C_TTR_3  CA_TTR_10     1 8.755069e-04 2.114152e-06 ; 0.366280  9.064063e-02     0.004009        0.000456      0.001408  6.281093e-03        True native_MD        26        68
    C_TTR_3  CB_TTR_10     1 9.524893e-04 2.711039e-06 ; 0.376455  8.366128e-02     0.002737        0.000920      0.001408  7.688303e-03        True native_MD        26        69
    C_TTR_3 CD1_TTR_10     1 7.283802e-04 1.464323e-06 ; 0.355260  9.057731e-02     0.003695        0.001102      0.001408  9.187454e-03        True native_MD        26        71
    C_TTR_3 CD2_TTR_10     1 7.283802e-04 1.464323e-06 ; 0.355260  9.057731e-02     0.003695        0.001102      0.001408  9.187454e-03        True native_MD        26        72
    C_TTR_3 CE1_TTR_10     1 7.277680e-04 1.472827e-06 ; 0.355653  8.990298e-02     0.003580        0.001869      0.001408  9.187454e-03        True native_MD        26        73
    C_TTR_3 CE2_TTR_10     1 7.277680e-04 1.472827e-06 ; 0.355653  8.990298e-02     0.003580        0.001869      0.001408  9.187454e-03        True native_MD        26        74
-   O_TTR_3    O_TTR_3     1 4.724863e-03 2.819110e-05 ; 0.425880  1.979733e-01     0.919049        0.000039      0.004451  2.411251e-04       False fibril_MD        27        27
-   O_TTR_3    N_TTR_4     1 2.875117e-04 6.666379e-08 ; 0.247860  3.099995e-01     1.000000        0.000000      0.004451  1.097431e-02       False fibril_MD        27        28
-   O_TTR_3   CA_TTR_4     1 1.563267e-03 2.039913e-06 ; 0.330570  2.994983e-01     1.000000        0.000061      0.004451  8.927106e-03       False fibril_MD        27        29
-   O_TTR_3   CB_TTR_4     1 9.701922e-04 1.177520e-06 ; 0.326602  1.998422e-01     0.993450        0.000105      0.004451  2.411251e-04       False fibril_MD        27        30
-   O_TTR_3    C_TTR_4     1 1.475012e-03 2.725377e-06 ; 0.350299  1.995741e-01     0.982419        0.000005      0.004451  2.411251e-04       False fibril_MD        27        31
-   O_TTR_3    O_TTR_4     1 5.175731e-04 3.348531e-07 ; 0.294090  1.999996e-01     0.999983        0.000048      0.004451  2.411251e-04       False fibril_MD        27        32
-   O_TTR_3    N_TTR_5     1 4.509979e-04 7.024839e-07 ; 0.340469  7.238569e-02     0.004916        0.000016      0.004451  2.411251e-04       False fibril_MD        27        33
-   O_TTR_3   CA_TTR_5     1 2.083796e-03 1.269087e-05 ; 0.427339  8.553800e-02     0.008502        0.000105      0.004451  2.411251e-04       False fibril_MD        27        34
-   O_TTR_3   CB_TTR_5     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.001420        0.000162      0.004451  2.411251e-04       False fibril_MD        27        35
-   O_TTR_3    C_TTR_5     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000012      0.004451  2.411251e-04       False fibril_MD        27        36
+   O_TTR_3    O_TTR_3     1 4.711070e-03 2.810880e-05 ; 0.425880  1.973953e-01     0.919049        0.000247      0.004451  2.411251e-04       False fibril_MD        27        27
+   O_TTR_3    N_TTR_4     1 2.875117e-04 6.666379e-08 ; 0.247860  3.099995e-01     1.000000        0.000101      0.004451  1.097431e-02       False fibril_MD        27        28
+   O_TTR_3   CA_TTR_4     1 1.563267e-03 2.039913e-06 ; 0.330570  2.994983e-01     1.000000        0.000609      0.004451  8.927106e-03       False fibril_MD        27        29
+   O_TTR_3   CB_TTR_4     1 8.244395e-04 1.000620e-06 ; 0.326602  1.698198e-01     0.993450        0.000842      0.004451  2.411251e-04       False fibril_MD        27        30
+   O_TTR_3    C_TTR_4     1 1.475012e-03 2.725377e-06 ; 0.350299  1.995741e-01     0.982419        0.000105      0.004451  2.411251e-04       False fibril_MD        27        31
+   O_TTR_3    O_TTR_4     1 4.738973e-04 3.065963e-07 ; 0.294090  1.831225e-01     0.999983        0.000487      0.004451  2.411251e-04       False fibril_MD        27        32
+   O_TTR_3    N_TTR_5     1 4.509979e-04 7.024839e-07 ; 0.340469  7.238569e-02     0.004916        0.000108      0.004451  2.411251e-04       False fibril_MD        27        33
+   O_TTR_3   CA_TTR_5     1 0.000000e+00 2.922244e-05 ; 0.418932 -2.922244e-05     0.008502        0.000601      0.004451  2.411251e-04       False fibril_MD        27        34
+   O_TTR_3   CB_TTR_5     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.001420        0.000757      0.004451  2.411251e-04       False fibril_MD        27        35
+   O_TTR_3    C_TTR_5     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000075      0.004451  2.411251e-04       False fibril_MD        27        36
    O_TTR_3    O_TTR_5     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        27        37
    O_TTR_3    O_TTR_6     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        27        45
    O_TTR_3    N_TTR_7     1 1.307015e-04 4.188447e-08 ; 0.261595  1.019642e-01     0.006303        0.004567      0.001408  9.187836e-03        True native_MD        27        46
@@ -1208,10 +1208,10 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
    O_TTR_3   CB_TTR_8     1 5.824096e-04 6.539474e-07 ; 0.322393  1.296744e-01     0.025711        0.003749      0.001408  7.688518e-03        True native_MD        27        56
    O_TTR_3   OG_TTR_8     1 1.388184e-04 4.162306e-08 ; 0.258711  1.157445e-01     0.012029        0.002976      0.001408  9.187921e-03        True native_MD        27        57
    O_TTR_3    O_TTR_8     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        27        59
-   O_TTR_3   CA_TTR_9     1 3.301741e-03 2.785622e-05 ; 0.451194  9.783717e-02     0.008584        0.000343      0.004451  8.927106e-03       False fibril_MD        27        61
-   O_TTR_3   CB_TTR_9     1 2.611143e-03 5.903278e-06 ; 0.362280  2.887407e-01     0.689438        0.000504      0.004451  9.944771e-03       False fibril_MD        27        62
-   O_TTR_3   CG_TTR_9     1 1.013209e-03 8.711279e-07 ; 0.308364  2.946159e-01     0.789438        0.000743      0.004451  9.944771e-03       False fibril_MD        27        63
-   O_TTR_3   CD_TTR_9     1 4.617785e-03 2.126072e-05 ; 0.407872  2.507434e-01     0.287121        0.000481      0.004451  9.944771e-03       False fibril_MD        27        64
+   O_TTR_3   CA_TTR_9     1 3.301741e-03 2.785622e-05 ; 0.451194  9.783717e-02     0.008584        0.000584      0.004451  8.927106e-03       False fibril_MD        27        61
+   O_TTR_3   CB_TTR_9     1 2.611143e-03 5.903278e-06 ; 0.362280  2.887407e-01     0.689438        0.000859      0.004451  9.944771e-03       False fibril_MD        27        62
+   O_TTR_3   CG_TTR_9     1 1.013209e-03 8.711279e-07 ; 0.308364  2.946159e-01     0.789438        0.001091      0.004451  9.944771e-03       False fibril_MD        27        63
+   O_TTR_3   CD_TTR_9     1 4.617785e-03 2.126072e-05 ; 0.407872  2.507434e-01     0.287121        0.000654      0.004451  9.944771e-03       False fibril_MD        27        64
    O_TTR_3    O_TTR_9     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        27        66
    O_TTR_3  CA_TTR_10     1 3.525402e-04 3.452989e-07 ; 0.315136  8.998332e-02     0.003877        0.000633      0.001408  6.281274e-03        True native_MD        27        68
    O_TTR_3 CD1_TTR_10     1 2.436879e-04 2.026421e-07 ; 0.306654  7.326189e-02     0.001640        0.001801      0.001408  9.187704e-03        True native_MD        27        71
@@ -1223,63 +1223,63 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
    O_TTR_3  OG_TTR_11     1 7.424811e-05 1.652238e-08 ; 0.246168  8.341383e-02     0.002641        0.000412      0.001408  9.187921e-03        True native_MD        27        82
    O_TTR_3  O1_TTR_11     1 0.000000e+00 2.428469e-06 ; 0.340495 -2.428469e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        27        84
    O_TTR_3  O2_TTR_11     1 0.000000e+00 2.428469e-06 ; 0.340495 -2.428469e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        27        85
-   N_TTR_4    N_TTR_4     1 2.538694e-03 9.986521e-06 ; 0.397314  1.613416e-01     0.034949        0.000000      0.004451  1.097423e-02       False fibril_MD        28        28
-   N_TTR_4   CA_TTR_4     1 6.542671e-03 3.573365e-05 ; 0.419650  2.994834e-01     0.999657        0.000027      0.004451  8.927042e-03       False fibril_MD        28        29
-   N_TTR_4   CB_TTR_4     1 6.457780e-03 3.912734e-05 ; 0.426972  2.664564e-01     0.374442        0.000111      0.004451  1.097367e-02       False fibril_MD        28        30
-   N_TTR_4    C_TTR_4     1 2.529015e-03 1.307961e-05 ; 0.415854  1.222498e-01     0.014468        0.000002      0.004451  1.097414e-02       False fibril_MD        28        31
-   N_TTR_4    O_TTR_4     1 2.650799e-03 5.866375e-06 ; 0.360993  2.994496e-01     0.788190        0.000002      0.004451  1.097431e-02       False fibril_MD        28        32
-   N_TTR_4   CA_TTR_5     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000273        0.000033      0.004451  2.411251e-04       False fibril_MD        28        34
-   N_TTR_4   CB_TTR_5     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000077        0.000112      0.004451  2.411251e-04       False fibril_MD        28        35
-   N_TTR_4    C_TTR_5     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        28        36
-   N_TTR_4    O_TTR_5     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000010      0.004451  2.411251e-04       False fibril_MD        28        37
-   N_TTR_4    N_TTR_6     1 0.000000e+00 8.752940e-07 ; 0.312737 -8.752940e-07     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        28        38
-   N_TTR_4   CA_TTR_6     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000013      0.004451  2.411251e-04       False fibril_MD        28        39
-   N_TTR_4   CB_TTR_6     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000058      0.004451  2.411251e-04       False fibril_MD        28        40
-   N_TTR_4   CG_TTR_6     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000168      0.004451  2.411251e-04       False fibril_MD        28        41
-   N_TTR_4  CD1_TTR_6     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000000        0.000275      0.004451  2.411251e-04       False fibril_MD        28        42
-   N_TTR_4  CD2_TTR_6     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000000        0.000275      0.004451  2.411251e-04       False fibril_MD        28        43
-   N_TTR_4    O_TTR_6     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000001      0.004451  2.411251e-04       False fibril_MD        28        45
-   N_TTR_4   CA_TTR_9     1 8.678973e-03 9.254821e-05 ; 0.469155  2.034739e-01     0.103775        0.000270      0.004451  8.927042e-03       False fibril_MD        28        61
-   N_TTR_4   CB_TTR_9     1 3.665051e-03 1.143263e-05 ; 0.382247  2.937338e-01     0.773553        0.000424      0.004451  9.944700e-03       False fibril_MD        28        62
-   N_TTR_4   CG_TTR_9     1 3.294519e-03 9.080551e-06 ; 0.374444  2.988215e-01     0.869818        0.000540      0.004451  9.944700e-03       False fibril_MD        28        63
-   N_TTR_4   CD_TTR_9     1 6.334382e-03 4.192156e-05 ; 0.433300  2.392826e-01     0.220456        0.000223      0.004451  9.944700e-03       False fibril_MD        28        64
+   N_TTR_4    N_TTR_4     1 2.538694e-03 9.986521e-06 ; 0.397314  1.613416e-01     0.034949        0.000007      0.004451  1.097423e-02       False fibril_MD        28        28
+   N_TTR_4   CA_TTR_4     1 6.542671e-03 3.573365e-05 ; 0.419650  2.994834e-01     0.999657        0.000416      0.004451  8.927042e-03       False fibril_MD        28        29
+   N_TTR_4   CB_TTR_4     1 6.457780e-03 3.912734e-05 ; 0.426972  2.664564e-01     0.374442        0.000734      0.004451  1.097367e-02       False fibril_MD        28        30
+   N_TTR_4    C_TTR_4     1 2.529015e-03 1.307961e-05 ; 0.415854  1.222498e-01     0.014468        0.000045      0.004451  1.097414e-02       False fibril_MD        28        31
+   N_TTR_4    O_TTR_4     1 2.650799e-03 5.866375e-06 ; 0.360993  2.994496e-01     0.788190        0.000107      0.004451  1.097431e-02       False fibril_MD        28        32
+   N_TTR_4   CA_TTR_5     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000273        0.000393      0.004451  2.411251e-04       False fibril_MD        28        34
+   N_TTR_4   CB_TTR_5     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000077        0.000684      0.004451  2.411251e-04       False fibril_MD        28        35
+   N_TTR_4    C_TTR_5     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000031      0.004451  2.411251e-04       False fibril_MD        28        36
+   N_TTR_4    O_TTR_5     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000085      0.004451  2.411251e-04       False fibril_MD        28        37
+   N_TTR_4    N_TTR_6     1 0.000000e+00 8.752940e-07 ; 0.312737 -8.752940e-07     0.000000        0.000012      0.004451  2.411251e-04       False fibril_MD        28        38
+   N_TTR_4   CA_TTR_6     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000166      0.004451  2.411251e-04       False fibril_MD        28        39
+   N_TTR_4   CB_TTR_6     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000240      0.004451  2.411251e-04       False fibril_MD        28        40
+   N_TTR_4   CG_TTR_6     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000617      0.004451  2.411251e-04       False fibril_MD        28        41
+   N_TTR_4  CD1_TTR_6     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000000        0.000808      0.004451  2.411251e-04       False fibril_MD        28        42
+   N_TTR_4  CD2_TTR_6     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000000        0.000846      0.004451  2.411251e-04       False fibril_MD        28        43
+   N_TTR_4    O_TTR_6     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000118      0.004451  2.411251e-04       False fibril_MD        28        45
+   N_TTR_4   CA_TTR_9     1 8.678973e-03 9.254821e-05 ; 0.469155  2.034739e-01     0.103775        0.000354      0.004451  8.927042e-03       False fibril_MD        28        61
+   N_TTR_4   CB_TTR_9     1 3.665051e-03 1.143263e-05 ; 0.382247  2.937338e-01     0.773553        0.000580      0.004451  9.944700e-03       False fibril_MD        28        62
+   N_TTR_4   CG_TTR_9     1 3.294519e-03 9.080551e-06 ; 0.374444  2.988215e-01     0.869818        0.000863      0.004451  9.944700e-03       False fibril_MD        28        63
+   N_TTR_4   CD_TTR_9     1 6.334382e-03 4.192156e-05 ; 0.433300  2.392826e-01     0.220456        0.000411      0.004451  9.944700e-03       False fibril_MD        28        64
    N_TTR_4  CA_TTR_10     1 5.781180e-04 9.481033e-07 ; 0.343405  8.812870e-02     0.003529        0.000283      0.001408  6.281189e-03        True native_MD        28        68
    N_TTR_4 CD1_TTR_10     1 4.060088e-04 4.594889e-07 ; 0.322817  8.968831e-02     0.003544        0.000559      0.001408  9.187586e-03        True native_MD        28        71
    N_TTR_4 CD2_TTR_10     1 4.060088e-04 4.594889e-07 ; 0.322817  8.968831e-02     0.003544        0.000559      0.001408  9.187586e-03        True native_MD        28        72
    N_TTR_4 CE1_TTR_10     1 4.881870e-04 6.396582e-07 ; 0.330796  9.314604e-02     0.004168        0.001284      0.001408  9.187586e-03        True native_MD        28        73
    N_TTR_4 CE2_TTR_10     1 4.881870e-04 6.396582e-07 ; 0.330796  9.314604e-02     0.004168        0.001284      0.001408  9.187586e-03        True native_MD        28        74
    N_TTR_4  CB_TTR_11     1 5.496449e-04 9.793989e-07 ; 0.348187  7.711607e-02     0.001990        0.000529      0.001408  7.688416e-03        True native_MD        28        81
-  CA_TTR_4   CA_TTR_4     1 6.714775e-03 3.886923e-05 ; 0.423736  2.899993e-01     1.000000        0.000294      0.004451  7.281617e-03       False fibril_MD        29        29
-  CA_TTR_4   CB_TTR_4     1 5.090014e-03 2.162733e-05 ; 0.402452  2.994850e-01     0.999751        0.000536      0.004451  8.926588e-03       False fibril_MD        29        30
-  CA_TTR_4    C_TTR_4     1 4.964572e-03 2.057360e-05 ; 0.400779  2.994976e-01     1.000000        0.000083      0.004451  8.926971e-03       False fibril_MD        29        31
-  CA_TTR_4    O_TTR_4     1 8.286836e-04 5.732230e-07 ; 0.297387  2.994980e-01     0.999992        0.000080      0.004451  8.927106e-03       False fibril_MD        29        32
-  CA_TTR_4    N_TTR_5     1 1.089044e-02 9.968126e-05 ; 0.457363  2.974522e-01     0.952880        0.000063      0.004451  8.927042e-03       False fibril_MD        29        33
-  CA_TTR_4   CA_TTR_5     1 2.646390e-02 6.037526e-04 ; 0.532559  2.899937e-01     0.999862        0.000502      0.004451  7.281617e-03       False fibril_MD        29        34
-  CA_TTR_4   CB_TTR_5     1 9.315187e-03 1.633078e-04 ; 0.509686  1.328361e-01     0.138556        0.000548      0.004451  2.411251e-04       False fibril_MD        29        35
-  CA_TTR_4    C_TTR_5     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000050        0.000063      0.004451  2.411251e-04       False fibril_MD        29        36
-  CA_TTR_4    O_TTR_5     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.001987        0.000100      0.004451  2.411251e-04       False fibril_MD        29        37
-  CA_TTR_4    N_TTR_6     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000019      0.004451  2.411251e-04       False fibril_MD        29        38
-  CA_TTR_4   CA_TTR_6     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000000        0.000318      0.004451  2.411251e-04       False fibril_MD        29        39
-  CA_TTR_4   CB_TTR_6     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000000        0.000384      0.004451  2.411251e-04       False fibril_MD        29        40
-  CA_TTR_4   CG_TTR_6     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000051        0.001006      0.004451  2.411251e-04       False fibril_MD        29        41
-  CA_TTR_4  CD1_TTR_6     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.002452        0.000985      0.004451  2.411251e-04       False fibril_MD        29        42
-  CA_TTR_4  CD2_TTR_6     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.002241        0.000941      0.004451  2.411251e-04       False fibril_MD        29        43
-  CA_TTR_4    C_TTR_6     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000049      0.004451  2.411251e-04       False fibril_MD        29        44
-  CA_TTR_4    O_TTR_6     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000141      0.004451  2.411251e-04       False fibril_MD        29        45
-  CA_TTR_4   CA_TTR_7     1 3.274718e-02 9.298978e-04 ; 0.552345  2.883053e-01     0.573246        0.000783      0.004451  1.166902e-02       False fibril_MD        29        47
-  CA_TTR_4   CB_TTR_7     1 1.577167e-02 1.938703e-04 ; 0.480403  3.207628e-01     0.913722        0.000861      0.004451  1.431338e-02       False fibril_MD        29        48
-  CA_TTR_4   CG_TTR_7     1 1.715899e-02 2.330033e-04 ; 0.488441  3.159085e-01     0.987550        0.001749      0.004451  1.235637e-02       False fibril_MD        29        49
-  CA_TTR_4  CD1_TTR_7     1 6.420109e-03 3.063743e-05 ; 0.410316  3.363353e-01     0.975703        0.001461      0.004451  1.746508e-02       False fibril_MD        29        50
-  CA_TTR_4  CD2_TTR_7     1 6.420109e-03 3.063743e-05 ; 0.410316  3.363353e-01     0.975703        0.001461      0.004451  1.746508e-02       False fibril_MD        29        51
-  CA_TTR_4    C_TTR_7     1 4.701224e-03 6.969236e-05 ; 0.495635  7.928238e-02     0.005434        0.000306      0.004451  1.357571e-02       False fibril_MD        29        52
-  CA_TTR_4    O_TTR_7     1 3.638955e-03 2.688657e-05 ; 0.441326  1.231283e-01     0.013731        0.000346      0.004451  1.439638e-02       False fibril_MD        29        53
+  CA_TTR_4   CA_TTR_4     1 6.714775e-03 3.886923e-05 ; 0.423736  2.899993e-01     1.000000        0.001543      0.004451  7.281617e-03       False fibril_MD        29        29
+  CA_TTR_4   CB_TTR_4     1 5.090014e-03 2.162733e-05 ; 0.402452  2.994850e-01     0.999751        0.002198      0.004451  8.926588e-03       False fibril_MD        29        30
+  CA_TTR_4    C_TTR_4     1 4.964572e-03 2.057360e-05 ; 0.400779  2.994976e-01     1.000000        0.000663      0.004451  8.926971e-03       False fibril_MD        29        31
+  CA_TTR_4    O_TTR_4     1 8.286836e-04 5.732230e-07 ; 0.297387  2.994980e-01     0.999992        0.000705      0.004451  8.927106e-03       False fibril_MD        29        32
+  CA_TTR_4    N_TTR_5     1 1.089044e-02 9.968126e-05 ; 0.457363  2.974522e-01     0.952880        0.000471      0.004451  8.927042e-03       False fibril_MD        29        33
+  CA_TTR_4   CA_TTR_5     1 2.646390e-02 6.037526e-04 ; 0.532559  2.899937e-01     0.999862        0.002859      0.004451  7.281617e-03       False fibril_MD        29        34
+  CA_TTR_4   CB_TTR_5     1 6.509335e-03 1.141174e-04 ; 0.509686  9.282422e-02     0.138556        0.002901      0.004451  2.411251e-04       False fibril_MD        29        35
+  CA_TTR_4    C_TTR_5     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000050        0.000588      0.004451  2.411251e-04       False fibril_MD        29        36
+  CA_TTR_4    O_TTR_5     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.001987        0.000626      0.004451  2.411251e-04       False fibril_MD        29        37
+  CA_TTR_4    N_TTR_6     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000334      0.004451  2.411251e-04       False fibril_MD        29        38
+  CA_TTR_4   CA_TTR_6     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000000        0.001824      0.004451  2.411251e-04       False fibril_MD        29        39
+  CA_TTR_4   CB_TTR_6     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000000        0.001879      0.004451  2.411251e-04       False fibril_MD        29        40
+  CA_TTR_4   CG_TTR_6     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000051        0.004054      0.004451  2.411251e-04       False fibril_MD        29        41
+  CA_TTR_4  CD1_TTR_6     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.002452        0.003268      0.004451  2.411251e-04       False fibril_MD        29        42
+  CA_TTR_4  CD2_TTR_6     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.002241        0.003334      0.004451  2.411251e-04       False fibril_MD        29        43
+  CA_TTR_4    C_TTR_6     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000577      0.004451  2.411251e-04       False fibril_MD        29        44
+  CA_TTR_4    O_TTR_6     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000816      0.004451  2.411251e-04       False fibril_MD        29        45
+  CA_TTR_4   CA_TTR_7     1 3.274718e-02 9.298978e-04 ; 0.552345  2.883053e-01     0.573246        0.001872      0.004451  1.166902e-02       False fibril_MD        29        47
+  CA_TTR_4   CB_TTR_7     1 1.577167e-02 1.938703e-04 ; 0.480403  3.207628e-01     0.913722        0.001930      0.004451  1.431338e-02       False fibril_MD        29        48
+  CA_TTR_4   CG_TTR_7     1 1.715899e-02 2.330033e-04 ; 0.488441  3.159085e-01     0.987550        0.004127      0.004451  1.235637e-02       False fibril_MD        29        49
+  CA_TTR_4  CD1_TTR_7     1 6.420109e-03 3.063743e-05 ; 0.410316  3.363353e-01     0.975703        0.003240      0.004451  1.746508e-02       False fibril_MD        29        50
+  CA_TTR_4  CD2_TTR_7     1 6.420109e-03 3.063743e-05 ; 0.410316  3.363353e-01     0.975703        0.003240      0.004451  1.746508e-02       False fibril_MD        29        51
+  CA_TTR_4    C_TTR_7     1 4.701224e-03 6.969236e-05 ; 0.495635  7.928238e-02     0.005434        0.000612      0.004451  1.357571e-02       False fibril_MD        29        52
+  CA_TTR_4    O_TTR_7     1 3.638955e-03 2.688657e-05 ; 0.441326  1.231283e-01     0.013731        0.000717      0.004451  1.439638e-02       False fibril_MD        29        53
   CA_TTR_4    C_TTR_8     1 1.856106e-03 9.723374e-06 ; 0.416744  8.857850e-02     0.003611        0.003159      0.001408  6.281093e-03        True native_MD        29        58
   CA_TTR_4    O_TTR_8     1 3.608738e-04 3.602419e-07 ; 0.316135  9.037670e-02     0.003955        0.003072      0.001408  6.281274e-03        True native_MD        29        59
-  CA_TTR_4    N_TTR_9     1 4.651416e-03 5.340397e-05 ; 0.474968  1.012831e-01     0.009263        0.000190      0.004451  9.227259e-03       False fibril_MD        29        60
-  CA_TTR_4   CA_TTR_9     1 2.651934e-02 6.021388e-04 ; 0.532136  2.919907e-01     0.821513        0.001726      0.004451  9.085136e-03       False fibril_MD        29        61
-  CA_TTR_4   CB_TTR_9     1 1.015698e-02 8.763151e-05 ; 0.452879  2.943126e-01     0.986910        0.001890      0.004451  8.099101e-03       False fibril_MD        29        62
-  CA_TTR_4   CG_TTR_9     1 4.958976e-03 2.089069e-05 ; 0.401877  2.942871e-01     0.986304        0.002202      0.004451  8.099101e-03       False fibril_MD        29        63
-  CA_TTR_4   CD_TTR_9     1 1.026391e-02 8.303985e-05 ; 0.448053  3.171604e-01     0.950170        0.001561      0.004451  1.303514e-02       False fibril_MD        29        64
+  CA_TTR_4    N_TTR_9     1 4.651416e-03 5.340397e-05 ; 0.474968  1.012831e-01     0.009263        0.000268      0.004451  9.227259e-03       False fibril_MD        29        60
+  CA_TTR_4   CA_TTR_9     1 2.651934e-02 6.021388e-04 ; 0.532136  2.919907e-01     0.821513        0.002682      0.004451  9.085136e-03       False fibril_MD        29        61
+  CA_TTR_4   CB_TTR_9     1 1.015698e-02 8.763151e-05 ; 0.452879  2.943126e-01     0.986910        0.002879      0.004451  8.099101e-03       False fibril_MD        29        62
+  CA_TTR_4   CG_TTR_9     1 4.958976e-03 2.089069e-05 ; 0.401877  2.942871e-01     0.986304        0.003641      0.004451  8.099101e-03       False fibril_MD        29        63
+  CA_TTR_4   CD_TTR_9     1 1.026391e-02 8.303985e-05 ; 0.448053  3.171604e-01     0.950170        0.002493      0.004451  1.303514e-02       False fibril_MD        29        64
   CA_TTR_4    C_TTR_9     1 6.485696e-04 1.223242e-06 ; 0.351501  8.596877e-02     0.003163        0.000986      0.001408  6.281093e-03        True native_MD        29        65
   CA_TTR_4    O_TTR_9     1 4.138693e-04 4.991962e-07 ; 0.326263  8.578178e-02     0.003133        0.000493      0.001408  6.281274e-03        True native_MD        29        66
   CA_TTR_4   N_TTR_10     1 5.893960e-04 9.940614e-07 ; 0.345012  8.736573e-02     0.003395        0.001132      0.001408  6.281189e-03        True native_MD        29        67
@@ -1294,38 +1294,38 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
   CA_TTR_4   C_TTR_11     1 1.071805e-03 3.447008e-06 ; 0.384197  8.331616e-02     0.002765        0.000624      0.001408  6.281093e-03        True native_MD        29        83
   CA_TTR_4  O1_TTR_11     1 2.187359e-04 1.572871e-07 ; 0.299315  7.604788e-02     0.001913        0.000517      0.001408  6.281320e-03        True native_MD        29        84
   CA_TTR_4  O2_TTR_11     1 2.187359e-04 1.572871e-07 ; 0.299315  7.604788e-02     0.001913        0.000517      0.001408  6.281320e-03        True native_MD        29        85
-  CB_TTR_4   CB_TTR_4     1 4.591633e-03 1.705883e-05 ; 0.393547  3.089762e-01     0.977306        0.000418      0.004451  1.097310e-02       False fibril_MD        30        30
-  CB_TTR_4    C_TTR_4     1 8.369256e-03 6.050579e-05 ; 0.439729  2.894122e-01     0.628514        0.000190      0.004451  1.097358e-02       False fibril_MD        30        31
-  CB_TTR_4    O_TTR_4     1 2.214500e-03 3.995898e-06 ; 0.348918  3.068151e-01     0.930734        0.000149      0.004451  1.097375e-02       False fibril_MD        30        32
-  CB_TTR_4    N_TTR_5     1 6.025860e-03 3.817142e-05 ; 0.430150  2.378153e-01     0.196224        0.000118      0.004451  1.097367e-02       False fibril_MD        30        33
-  CB_TTR_4   CA_TTR_5     1 7.830539e-03 1.541596e-04 ; 0.519633  9.943809e-02     0.038815        0.000617      0.004451  2.411251e-04       False fibril_MD        30        34
-  CB_TTR_4   CB_TTR_5     1 0.000000e+00 8.595562e-06 ; 0.378317 -8.595562e-06     0.000043        0.000634      0.004451  2.411251e-04       False fibril_MD        30        35
-  CB_TTR_4    C_TTR_5     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000110      0.004451  2.411251e-04       False fibril_MD        30        36
-  CB_TTR_4    O_TTR_5     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000083        0.000133      0.004451  2.411251e-04       False fibril_MD        30        37
-  CB_TTR_4    N_TTR_6     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000000        0.000062      0.004451  2.411251e-04       False fibril_MD        30        38
-  CB_TTR_4   CA_TTR_6     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000000        0.000496      0.004451  2.411251e-04       False fibril_MD        30        39
-  CB_TTR_4   CB_TTR_6     1 0.000000e+00 1.151981e-05 ; 0.387662 -1.151981e-05     0.000000        0.000450      0.004451  2.411251e-04       False fibril_MD        30        40
-  CB_TTR_4   CG_TTR_6     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000002        0.001070      0.004451  2.411251e-04       False fibril_MD        30        41
-  CB_TTR_4  CD1_TTR_6     1 0.000000e+00 8.595562e-06 ; 0.378317 -8.595562e-06     0.000467        0.000992      0.004451  2.411251e-04       False fibril_MD        30        42
-  CB_TTR_4  CD2_TTR_6     1 0.000000e+00 8.595562e-06 ; 0.378317 -8.595562e-06     0.000371        0.000909      0.004451  2.411251e-04       False fibril_MD        30        43
-  CB_TTR_4    C_TTR_6     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000196      0.004451  2.411251e-04       False fibril_MD        30        44
-  CB_TTR_4    O_TTR_6     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000000        0.000224      0.004451  2.411251e-04       False fibril_MD        30        45
-  CB_TTR_4   CA_TTR_7     1 1.006073e-02 7.913860e-05 ; 0.445957  3.197500e-01     0.914901        0.000895      0.004451  1.405447e-02       False fibril_MD        30        47
-  CB_TTR_4   CB_TTR_7     1 4.286506e-03 1.369831e-05 ; 0.383790  3.353357e-01     0.981372        0.000970      0.004451  1.712583e-02       False fibril_MD        30        48
-  CB_TTR_4   CG_TTR_7     1 5.181154e-03 2.030156e-05 ; 0.397055  3.305700e-01     0.998140        0.001696      0.004451  1.569274e-02       False fibril_MD        30        49
-  CB_TTR_4  CD1_TTR_7     1 2.921102e-03 6.080080e-06 ; 0.357323  3.508522e-01     0.983249        0.001396      0.004451  2.141155e-02       False fibril_MD        30        50
-  CB_TTR_4  CD2_TTR_7     1 2.921102e-03 6.080080e-06 ; 0.357323  3.508522e-01     0.983249        0.001396      0.004451  2.141155e-02       False fibril_MD        30        51
-  CB_TTR_4    C_TTR_7     1 6.901578e-03 4.498439e-05 ; 0.432201  2.647128e-01     0.538027        0.000441      0.004451  7.262901e-03       False fibril_MD        30        52
-  CB_TTR_4    O_TTR_7     1 2.517922e-03 5.557640e-06 ; 0.360834  2.851899e-01     0.340796        0.000446      0.004451  1.774003e-02       False fibril_MD        30        53
-  CB_TTR_4    N_TTR_8     1 5.095931e-03 2.723830e-05 ; 0.418144  2.383456e-01     0.262361        0.000334      0.004451  7.882384e-03       False fibril_MD        30        54
-  CB_TTR_4   CA_TTR_8     1 1.760871e-02 2.782806e-04 ; 0.500948  2.785559e-01     0.547398        0.001554      0.004451  9.905784e-03       False fibril_MD        30        55
-  CB_TTR_4    C_TTR_8     1 7.651562e-03 5.806975e-05 ; 0.443302  2.520521e-01     0.252014        0.000626      0.004451  1.186352e-02       False fibril_MD        30        58
+  CB_TTR_4   CB_TTR_4     1 4.591633e-03 1.705883e-05 ; 0.393547  3.089762e-01     0.977306        0.001474      0.004451  1.097310e-02       False fibril_MD        30        30
+  CB_TTR_4    C_TTR_4     1 8.369256e-03 6.050579e-05 ; 0.439729  2.894122e-01     0.628514        0.001131      0.004451  1.097358e-02       False fibril_MD        30        31
+  CB_TTR_4    O_TTR_4     1 2.214500e-03 3.995898e-06 ; 0.348918  3.068151e-01     0.930734        0.000911      0.004451  1.097375e-02       False fibril_MD        30        32
+  CB_TTR_4    N_TTR_5     1 6.025860e-03 3.817142e-05 ; 0.430150  2.378153e-01     0.196224        0.000875      0.004451  1.097367e-02       False fibril_MD        30        33
+  CB_TTR_4   CA_TTR_5     1 0.000000e+00 3.458512e-04 ; 0.514724 -3.458512e-04     0.038815        0.003072      0.004451  2.411251e-04       False fibril_MD        30        34
+  CB_TTR_4   CB_TTR_5     1 0.000000e+00 8.595562e-06 ; 0.378317 -8.595562e-06     0.000043        0.002749      0.004451  2.411251e-04       False fibril_MD        30        35
+  CB_TTR_4    C_TTR_5     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.001020      0.004451  2.411251e-04       False fibril_MD        30        36
+  CB_TTR_4    O_TTR_5     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000083        0.000829      0.004451  2.411251e-04       False fibril_MD        30        37
+  CB_TTR_4    N_TTR_6     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000000        0.000694      0.004451  2.411251e-04       False fibril_MD        30        38
+  CB_TTR_4   CA_TTR_6     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000000        0.002197      0.004451  2.411251e-04       False fibril_MD        30        39
+  CB_TTR_4   CB_TTR_6     1 0.000000e+00 1.151981e-05 ; 0.387662 -1.151981e-05     0.000000        0.002055      0.004451  2.411251e-04       False fibril_MD        30        40
+  CB_TTR_4   CG_TTR_6     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000002        0.003798      0.004451  2.411251e-04       False fibril_MD        30        41
+  CB_TTR_4  CD1_TTR_6     1 0.000000e+00 8.595562e-06 ; 0.378317 -8.595562e-06     0.000467        0.002970      0.004451  2.411251e-04       False fibril_MD        30        42
+  CB_TTR_4  CD2_TTR_6     1 0.000000e+00 8.595562e-06 ; 0.378317 -8.595562e-06     0.000371        0.002979      0.004451  2.411251e-04       False fibril_MD        30        43
+  CB_TTR_4    C_TTR_6     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.001000      0.004451  2.411251e-04       False fibril_MD        30        44
+  CB_TTR_4    O_TTR_6     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000000        0.001025      0.004451  2.411251e-04       False fibril_MD        30        45
+  CB_TTR_4   CA_TTR_7     1 1.006073e-02 7.913860e-05 ; 0.445957  3.197500e-01     0.914901        0.002241      0.004451  1.405447e-02       False fibril_MD        30        47
+  CB_TTR_4   CB_TTR_7     1 4.286506e-03 1.369831e-05 ; 0.383790  3.353357e-01     0.981372        0.002073      0.004451  1.712583e-02       False fibril_MD        30        48
+  CB_TTR_4   CG_TTR_7     1 5.181154e-03 2.030156e-05 ; 0.397055  3.305700e-01     0.998140        0.003735      0.004451  1.569274e-02       False fibril_MD        30        49
+  CB_TTR_4  CD1_TTR_7     1 2.921102e-03 6.080080e-06 ; 0.357323  3.508522e-01     0.983249        0.002826      0.004451  2.141155e-02       False fibril_MD        30        50
+  CB_TTR_4  CD2_TTR_7     1 2.921102e-03 6.080080e-06 ; 0.357323  3.508522e-01     0.983249        0.002826      0.004451  2.141155e-02       False fibril_MD        30        51
+  CB_TTR_4    C_TTR_7     1 6.901578e-03 4.498439e-05 ; 0.432201  2.647128e-01     0.538027        0.000984      0.004451  7.262901e-03       False fibril_MD        30        52
+  CB_TTR_4    O_TTR_7     1 2.517922e-03 5.557640e-06 ; 0.360834  2.851899e-01     0.340796        0.000902      0.004451  1.774003e-02       False fibril_MD        30        53
+  CB_TTR_4    N_TTR_8     1 5.095931e-03 2.723830e-05 ; 0.418144  2.383456e-01     0.262361        0.000660      0.004451  7.882384e-03       False fibril_MD        30        54
+  CB_TTR_4   CA_TTR_8     1 1.760871e-02 2.782806e-04 ; 0.500948  2.785559e-01     0.547398        0.002722      0.004451  9.905784e-03       False fibril_MD        30        55
+  CB_TTR_4    C_TTR_8     1 7.651562e-03 5.806975e-05 ; 0.443302  2.520521e-01     0.252014        0.000760      0.004451  1.186352e-02       False fibril_MD        30        58
   CB_TTR_4    O_TTR_8     1 3.831843e-04 3.951206e-07 ; 0.317849  9.290217e-02     0.004121        0.004144      0.001408  9.186994e-03        True native_MD        30        59
-  CB_TTR_4    N_TTR_9     1 4.704585e-03 2.044636e-05 ; 0.403970  2.706242e-01     0.645992        0.000440      0.004451  6.997711e-03       False fibril_MD        30        60
-  CB_TTR_4   CA_TTR_9     1 8.684605e-03 6.208217e-05 ; 0.438904  3.037199e-01     0.982909        0.001780      0.004451  9.865813e-03       False fibril_MD        30        61
-  CB_TTR_4   CB_TTR_9     1 2.805057e-03 6.797936e-06 ; 0.366499  2.893652e-01     0.998019        0.001825      0.004451  7.191726e-03       False fibril_MD        30        62
-  CB_TTR_4   CG_TTR_9     1 2.116919e-03 3.374827e-06 ; 0.341789  3.319686e-01     0.996744        0.002021      0.004451  1.606184e-02       False fibril_MD        30        63
-  CB_TTR_4   CD_TTR_9     1 2.663032e-03 5.340113e-06 ; 0.355110  3.320031e-01     0.997458        0.001367      0.004451  1.606182e-02       False fibril_MD        30        64
+  CB_TTR_4    N_TTR_9     1 4.704585e-03 2.044636e-05 ; 0.403970  2.706242e-01     0.645992        0.000536      0.004451  6.997711e-03       False fibril_MD        30        60
+  CB_TTR_4   CA_TTR_9     1 8.684605e-03 6.208217e-05 ; 0.438904  3.037199e-01     0.982909        0.002646      0.004451  9.865813e-03       False fibril_MD        30        61
+  CB_TTR_4   CB_TTR_9     1 2.805057e-03 6.797936e-06 ; 0.366499  2.893652e-01     0.998019        0.002711      0.004451  7.191726e-03       False fibril_MD        30        62
+  CB_TTR_4   CG_TTR_9     1 2.116919e-03 3.374827e-06 ; 0.341789  3.319686e-01     0.996744        0.003213      0.004451  1.606184e-02       False fibril_MD        30        63
+  CB_TTR_4   CD_TTR_9     1 2.663032e-03 5.340113e-06 ; 0.355110  3.320031e-01     0.997458        0.002406      0.004451  1.606182e-02       False fibril_MD        30        64
   CB_TTR_4    C_TTR_9     1 6.615785e-04 1.233802e-06 ; 0.350841  8.868647e-02     0.003382        0.001881      0.001408  9.186744e-03        True native_MD        30        65
   CB_TTR_4   N_TTR_10     1 4.118751e-04 4.930909e-07 ; 0.325857  8.600903e-02     0.002983        0.001688      0.001408  9.186876e-03        True native_MD        30        67
   CB_TTR_4  CA_TTR_10     1 8.347195e-04 1.748227e-06 ; 0.357692  9.963759e-02     0.006326        0.004208      0.001408  6.280581e-03        True native_MD        30        68
@@ -1342,45 +1342,45 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
   CB_TTR_4  OG_TTR_11     1 3.965028e-04 3.343190e-07 ; 0.307364  1.175632e-01     0.013101        0.001524      0.001408  9.186961e-03        True native_MD        30        82
   CB_TTR_4  O1_TTR_11     1 2.261294e-04 1.576780e-07 ; 0.297785  8.107426e-02     0.002366        0.000711      0.001408  9.187057e-03        True native_MD        30        84
   CB_TTR_4  O2_TTR_11     1 2.261294e-04 1.576780e-07 ; 0.297785  8.107426e-02     0.002366        0.000711      0.001408  9.187057e-03        True native_MD        30        85
-   C_TTR_4    C_TTR_4     1 6.898671e-03 3.874722e-05 ; 0.421612  3.070649e-01     0.935963        0.000000      0.004451  1.097406e-02       False fibril_MD        31        31
-   C_TTR_4    O_TTR_4     1 1.296107e-03 1.354813e-06 ; 0.318571  3.099862e-01     0.999709        0.000005      0.004451  1.097422e-02       False fibril_MD        31        32
-   C_TTR_4    N_TTR_5     1 2.763392e-03 6.158964e-06 ; 0.361419  3.099684e-01     0.999316        0.000000      0.004451  1.097414e-02       False fibril_MD        31        33
-   C_TTR_4   CA_TTR_5     1 1.029123e-02 8.841635e-05 ; 0.452561  2.994625e-01     0.999172        0.000054      0.004451  8.926971e-03       False fibril_MD        31        34
-   C_TTR_4   CB_TTR_5     1 7.734319e-03 5.125535e-05 ; 0.433397  2.917729e-01     0.662897        0.000109      0.004451  1.097358e-02       False fibril_MD        31        35
-   C_TTR_4    C_TTR_5     1 6.111598e-03 4.090184e-05 ; 0.434108  2.283004e-01     0.158311        0.000000      0.004451  1.097406e-02       False fibril_MD        31        36
-   C_TTR_4    O_TTR_5     1 2.345741e-03 7.170298e-06 ; 0.380957  1.918505e-01     0.712173        0.000010      0.004451  2.411251e-04       False fibril_MD        31        37
-   C_TTR_4    N_TTR_6     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        31        38
-   C_TTR_4   CA_TTR_6     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000007      0.004451  2.411251e-04       False fibril_MD        31        39
-   C_TTR_4   CB_TTR_6     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000022      0.004451  2.411251e-04       False fibril_MD        31        40
-   C_TTR_4   CG_TTR_6     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000071        0.000096      0.004451  2.411251e-04       False fibril_MD        31        41
-   C_TTR_4  CD1_TTR_6     1 2.551530e-03 1.976555e-05 ; 0.444820  8.234413e-02     0.007443        0.000188      0.004451  2.411251e-04       False fibril_MD        31        42
-   C_TTR_4  CD2_TTR_6     1 2.551530e-03 1.976555e-05 ; 0.444820  8.234413e-02     0.007443        0.000188      0.004451  2.411251e-04       False fibril_MD        31        43
-   C_TTR_4    C_TTR_6     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        31        44
-   C_TTR_4    O_TTR_6     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000010      0.004451  2.411251e-04       False fibril_MD        31        45
-   C_TTR_4   CB_TTR_7     1 1.005380e-02 9.006107e-05 ; 0.455723  2.805843e-01     0.260811        0.000128      0.004451  2.094054e-02       False fibril_MD        31        48
-   C_TTR_4   CG_TTR_7     1 9.860622e-03 7.362404e-05 ; 0.442099  3.301634e-01     0.872660        0.000360      0.004451  1.728752e-02       False fibril_MD        31        49
-   C_TTR_4  CD1_TTR_7     1 2.749445e-03 5.303114e-06 ; 0.352815  3.563684e-01     0.936123        0.000365      0.004451  2.386170e-02       False fibril_MD        31        50
-   C_TTR_4  CD2_TTR_7     1 2.749445e-03 5.303114e-06 ; 0.352815  3.563684e-01     0.936123        0.000365      0.004451  2.386170e-02       False fibril_MD        31        51
-   C_TTR_4   CG_TTR_9     1 6.160480e-03 5.937892e-05 ; 0.461321  1.597853e-01     0.035269        0.000698      0.004451  9.944620e-03       False fibril_MD        31        63
+   C_TTR_4    C_TTR_4     1 6.898671e-03 3.874722e-05 ; 0.421612  3.070649e-01     0.935963        0.000030      0.004451  1.097406e-02       False fibril_MD        31        31
+   C_TTR_4    O_TTR_4     1 1.296107e-03 1.354813e-06 ; 0.318571  3.099862e-01     0.999709        0.000095      0.004451  1.097422e-02       False fibril_MD        31        32
+   C_TTR_4    N_TTR_5     1 2.763392e-03 6.158964e-06 ; 0.361419  3.099684e-01     0.999316        0.000050      0.004451  1.097414e-02       False fibril_MD        31        33
+   C_TTR_4   CA_TTR_5     1 1.029123e-02 8.841635e-05 ; 0.452561  2.994625e-01     0.999172        0.000643      0.004451  8.926971e-03       False fibril_MD        31        34
+   C_TTR_4   CB_TTR_5     1 7.734319e-03 5.125535e-05 ; 0.433397  2.917729e-01     0.662897        0.001048      0.004451  1.097358e-02       False fibril_MD        31        35
+   C_TTR_4    C_TTR_5     1 6.111598e-03 4.090184e-05 ; 0.434108  2.283004e-01     0.158311        0.000026      0.004451  1.097406e-02       False fibril_MD        31        36
+   C_TTR_4    O_TTR_5     1 2.345741e-03 7.170298e-06 ; 0.380957  1.918505e-01     0.712173        0.000110      0.004451  2.411251e-04       False fibril_MD        31        37
+   C_TTR_4    N_TTR_6     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000028      0.004451  2.411251e-04       False fibril_MD        31        38
+   C_TTR_4   CA_TTR_6     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000236      0.004451  2.411251e-04       False fibril_MD        31        39
+   C_TTR_4   CB_TTR_6     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000382      0.004451  2.411251e-04       False fibril_MD        31        40
+   C_TTR_4   CG_TTR_6     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000071        0.001068      0.004451  2.411251e-04       False fibril_MD        31        41
+   C_TTR_4  CD1_TTR_6     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.002388        0.001274      0.004451  2.411251e-04       False fibril_MD        31        42
+   C_TTR_4  CD2_TTR_6     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.002388        0.001274      0.004451  2.411251e-04       False fibril_MD        31        43
+   C_TTR_4    C_TTR_6     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000044      0.004451  2.411251e-04       False fibril_MD        31        44
+   C_TTR_4    O_TTR_6     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000143      0.004451  2.411251e-04       False fibril_MD        31        45
+   C_TTR_4   CB_TTR_7     1 1.005380e-02 9.006107e-05 ; 0.455723  2.805843e-01     0.260811        0.000367      0.004451  2.094054e-02       False fibril_MD        31        48
+   C_TTR_4   CG_TTR_7     1 9.860622e-03 7.362404e-05 ; 0.442099  3.301634e-01     0.872660        0.001207      0.004451  1.728752e-02       False fibril_MD        31        49
+   C_TTR_4  CD1_TTR_7     1 2.749445e-03 5.303114e-06 ; 0.352815  3.563684e-01     0.936123        0.001200      0.004451  2.386170e-02       False fibril_MD        31        50
+   C_TTR_4  CD2_TTR_7     1 2.749445e-03 5.303114e-06 ; 0.352815  3.563684e-01     0.936123        0.001200      0.004451  2.386170e-02       False fibril_MD        31        51
+   C_TTR_4   CG_TTR_9     1 6.160480e-03 5.937892e-05 ; 0.461321  1.597853e-01     0.035269        0.001379      0.004451  9.944620e-03       False fibril_MD        31        63
    C_TTR_4  CB_TTR_11     1 1.170309e-03 3.091883e-06 ; 0.371809  1.107434e-01     0.010230        0.000877      0.001408  7.688303e-03        True native_MD        31        81
-   O_TTR_4    O_TTR_4     1 4.673524e-03 2.753765e-05 ; 0.424992  1.982906e-01     0.931276        0.000034      0.004451  2.411251e-04       False fibril_MD        32        32
-   O_TTR_4    N_TTR_5     1 3.157941e-04 8.042453e-08 ; 0.251766  3.099984e-01     0.999976        0.000005      0.004451  1.097431e-02       False fibril_MD        32        33
-   O_TTR_4   CA_TTR_5     1 1.966764e-03 3.228924e-06 ; 0.343466  2.994930e-01     0.999875        0.000049      0.004451  8.927106e-03       False fibril_MD        32        34
-   O_TTR_4   CB_TTR_5     1 1.279815e-03 2.059265e-06 ; 0.342316  1.988484e-01     0.953165        0.000118      0.004451  2.411251e-04       False fibril_MD        32        35
-   O_TTR_4    C_TTR_5     1 1.990335e-03 5.015275e-06 ; 0.368888  1.974684e-01     0.899926        0.000002      0.004451  2.411251e-04       False fibril_MD        32        36
-   O_TTR_4    O_TTR_5     1 7.752250e-04 7.512238e-07 ; 0.314575  1.999983e-01     0.999928        0.000061      0.004451  2.411251e-04       False fibril_MD        32        37
-   O_TTR_4    N_TTR_6     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        32        38
-   O_TTR_4   CA_TTR_6     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000019      0.004451  2.411251e-04       False fibril_MD        32        39
-   O_TTR_4   CB_TTR_6     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000032      0.004451  2.411251e-04       False fibril_MD        32        40
-   O_TTR_4   CG_TTR_6     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000619        0.000098      0.004451  2.411251e-04       False fibril_MD        32        41
-   O_TTR_4  CD1_TTR_6     1 8.798065e-04 2.005886e-06 ; 0.362788  9.647353e-02     0.013407        0.000167      0.004451  2.411251e-04       False fibril_MD        32        42
-   O_TTR_4  CD2_TTR_6     1 8.798065e-04 2.005886e-06 ; 0.362788  9.647353e-02     0.013407        0.000167      0.004451  2.411251e-04       False fibril_MD        32        43
-   O_TTR_4    C_TTR_6     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        32        44
+   O_TTR_4    O_TTR_4     1 4.626540e-03 2.726081e-05 ; 0.424992  1.962971e-01     0.931276        0.000262      0.004451  2.411251e-04       False fibril_MD        32        32
+   O_TTR_4    N_TTR_5     1 3.157941e-04 8.042453e-08 ; 0.251766  3.099984e-01     0.999976        0.000103      0.004451  1.097431e-02       False fibril_MD        32        33
+   O_TTR_4   CA_TTR_5     1 1.966764e-03 3.228924e-06 ; 0.343466  2.994930e-01     0.999875        0.000623      0.004451  8.927106e-03       False fibril_MD        32        34
+   O_TTR_4   CB_TTR_5     1 1.085854e-03 1.747175e-06 ; 0.342316  1.687121e-01     0.953165        0.000846      0.004451  2.411251e-04       False fibril_MD        32        35
+   O_TTR_4    C_TTR_5     1 1.990335e-03 5.015275e-06 ; 0.368888  1.974684e-01     0.899926        0.000065      0.004451  2.411251e-04       False fibril_MD        32        36
+   O_TTR_4    O_TTR_5     1 7.058778e-04 6.840236e-07 ; 0.314575  1.821076e-01     0.999928        0.000508      0.004451  2.411251e-04       False fibril_MD        32        37
+   O_TTR_4    N_TTR_6     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000069      0.004451  2.411251e-04       False fibril_MD        32        38
+   O_TTR_4   CA_TTR_6     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000269      0.004451  2.411251e-04       False fibril_MD        32        39
+   O_TTR_4   CB_TTR_6     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000389      0.004451  2.411251e-04       False fibril_MD        32        40
+   O_TTR_4   CG_TTR_6     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000619        0.000989      0.004451  2.411251e-04       False fibril_MD        32        41
+   O_TTR_4  CD1_TTR_6     1 0.000000e+00 3.467163e-06 ; 0.350750 -3.467163e-06     0.013407        0.000954      0.004451  2.411251e-04       False fibril_MD        32        42
+   O_TTR_4  CD2_TTR_6     1 0.000000e+00 3.467163e-06 ; 0.350750 -3.467163e-06     0.013407        0.000954      0.004451  2.411251e-04       False fibril_MD        32        43
+   O_TTR_4    C_TTR_6     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000060      0.004451  2.411251e-04       False fibril_MD        32        44
    O_TTR_4    O_TTR_6     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        32        45
-   O_TTR_4   CB_TTR_7     1 3.215852e-03 1.163948e-05 ; 0.391838  2.221255e-01     0.084448        0.000139      0.004451  2.087541e-02       False fibril_MD        32        48
-   O_TTR_4   CG_TTR_7     1 5.649406e-03 2.571288e-05 ; 0.407091  3.103094e-01     0.563090        0.000313      0.004451  1.780280e-02       False fibril_MD        32        49
-   O_TTR_4  CD1_TTR_7     1 1.143004e-03 1.012983e-06 ; 0.309927  3.224285e-01     0.818508        0.000270      0.004451  1.606117e-02       False fibril_MD        32        50
-   O_TTR_4  CD2_TTR_7     1 1.143004e-03 1.012983e-06 ; 0.309927  3.224285e-01     0.818508        0.000270      0.004451  1.606117e-02       False fibril_MD        32        51
+   O_TTR_4   CB_TTR_7     1 3.215852e-03 1.163948e-05 ; 0.391838  2.221255e-01     0.084448        0.000404      0.004451  2.087541e-02       False fibril_MD        32        48
+   O_TTR_4   CG_TTR_7     1 5.649406e-03 2.571288e-05 ; 0.407091  3.103094e-01     0.563090        0.001074      0.004451  1.780280e-02       False fibril_MD        32        49
+   O_TTR_4  CD1_TTR_7     1 1.143004e-03 1.012983e-06 ; 0.309927  3.224285e-01     0.818508        0.000943      0.004451  1.606117e-02       False fibril_MD        32        50
+   O_TTR_4  CD2_TTR_7     1 1.143004e-03 1.012983e-06 ; 0.309927  3.224285e-01     0.818508        0.000943      0.004451  1.606117e-02       False fibril_MD        32        51
    O_TTR_4    O_TTR_7     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        32        53
    O_TTR_4    O_TTR_8     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        32        59
    O_TTR_4    O_TTR_9     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        32        66
@@ -1389,45 +1389,45 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
    O_TTR_4  OG_TTR_11     1 1.032167e-04 2.597783e-08 ; 0.251271  1.025268e-01     0.006472        0.000401      0.001408  9.187921e-03        True native_MD        32        82
    O_TTR_4  O1_TTR_11     1 0.000000e+00 2.428469e-06 ; 0.340495 -2.428469e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        32        84
    O_TTR_4  O2_TTR_11     1 0.000000e+00 2.428469e-06 ; 0.340495 -2.428469e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        32        85
-   N_TTR_5    N_TTR_5     1 3.023864e-03 1.107016e-05 ; 0.392583  2.064954e-01     0.096796        0.000000      0.004451  1.097423e-02       False fibril_MD        33        33
-   N_TTR_5   CA_TTR_5     1 5.084185e-03 2.157733e-05 ; 0.402374  2.994918e-01     0.999855        0.000058      0.004451  8.927042e-03       False fibril_MD        33        34
-   N_TTR_5   CB_TTR_5     1 4.885363e-03 2.125649e-05 ; 0.404048  2.806999e-01     0.516352        0.000116      0.004451  1.097367e-02       False fibril_MD        33        35
-   N_TTR_5    O_TTR_5     1 2.901035e-03 7.371404e-06 ; 0.369402  2.854275e-01     0.574435        0.000006      0.004451  1.097431e-02       False fibril_MD        33        37
-   N_TTR_5   CA_TTR_6     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000013      0.004451  2.411251e-04       False fibril_MD        33        39
-   N_TTR_5   CB_TTR_6     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000015      0.004451  2.411251e-04       False fibril_MD        33        40
-   N_TTR_5   CG_TTR_6     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000344        0.000060      0.004451  2.411251e-04       False fibril_MD        33        41
-   N_TTR_5  CD1_TTR_6     1 1.773462e-03 9.831121e-06 ; 0.420691  7.997990e-02     0.006745        0.000137      0.004451  2.411251e-04       False fibril_MD        33        42
-   N_TTR_5  CD2_TTR_6     1 1.773462e-03 9.831121e-06 ; 0.420691  7.997990e-02     0.006745        0.000137      0.004451  2.411251e-04       False fibril_MD        33        43
-   N_TTR_5    C_TTR_6     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000010      0.004451  2.411251e-04       False fibril_MD        33        44
-   N_TTR_5    O_TTR_6     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000010      0.004451  2.411251e-04       False fibril_MD        33        45
-   N_TTR_5    N_TTR_7     1 0.000000e+00 8.752940e-07 ; 0.312737 -8.752940e-07     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        33        46
-   N_TTR_5   CA_TTR_7     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000021      0.004451  2.411251e-04       False fibril_MD        33        47
-   N_TTR_5   CB_TTR_7     1 2.907148e-03 2.208708e-05 ; 0.443382  9.566125e-02     0.012961        0.000055      0.004451  2.411251e-04       False fibril_MD        33        48
-   N_TTR_5   CG_TTR_7     1 6.016288e-03 4.791538e-05 ; 0.446880  1.888523e-01     0.628567        0.000234      0.004451  2.411251e-04       False fibril_MD        33        49
-   N_TTR_5  CD1_TTR_7     1 1.296570e-03 2.133180e-06 ; 0.343588  1.970174e-01     0.883180        0.000233      0.004451  2.411251e-04       False fibril_MD        33        50
-   N_TTR_5  CD2_TTR_7     1 1.296570e-03 2.133180e-06 ; 0.343588  1.970174e-01     0.883180        0.000233      0.004451  2.411251e-04       False fibril_MD        33        51
-   N_TTR_5    O_TTR_7     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000027      0.004451  2.411251e-04       False fibril_MD        33        53
+   N_TTR_5    N_TTR_5     1 3.023864e-03 1.107016e-05 ; 0.392583  2.064954e-01     0.096796        0.000023      0.004451  1.097423e-02       False fibril_MD        33        33
+   N_TTR_5   CA_TTR_5     1 5.084185e-03 2.157733e-05 ; 0.402374  2.994918e-01     0.999855        0.000427      0.004451  8.927042e-03       False fibril_MD        33        34
+   N_TTR_5   CB_TTR_5     1 4.885363e-03 2.125649e-05 ; 0.404048  2.806999e-01     0.516352        0.000730      0.004451  1.097367e-02       False fibril_MD        33        35
+   N_TTR_5    O_TTR_5     1 2.901035e-03 7.371404e-06 ; 0.369402  2.854275e-01     0.574435        0.000101      0.004451  1.097431e-02       False fibril_MD        33        37
+   N_TTR_5   CA_TTR_6     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000182      0.004451  2.411251e-04       False fibril_MD        33        39
+   N_TTR_5   CB_TTR_6     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000310      0.004451  2.411251e-04       False fibril_MD        33        40
+   N_TTR_5   CG_TTR_6     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000344        0.000742      0.004451  2.411251e-04       False fibril_MD        33        41
+   N_TTR_5  CD1_TTR_6     1 0.000000e+00 2.306310e-05 ; 0.410749 -2.306310e-05     0.006745        0.000952      0.004451  2.411251e-04       False fibril_MD        33        42
+   N_TTR_5  CD2_TTR_6     1 0.000000e+00 2.306310e-05 ; 0.410749 -2.306310e-05     0.006745        0.000952      0.004451  2.411251e-04       False fibril_MD        33        43
+   N_TTR_5    C_TTR_6     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000049      0.004451  2.411251e-04       False fibril_MD        33        44
+   N_TTR_5    O_TTR_6     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000131      0.004451  2.411251e-04       False fibril_MD        33        45
+   N_TTR_5    N_TTR_7     1 0.000000e+00 8.752940e-07 ; 0.312737 -8.752940e-07     0.000000        0.000004      0.004451  2.411251e-04       False fibril_MD        33        46
+   N_TTR_5   CA_TTR_7     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000183      0.004451  2.411251e-04       False fibril_MD        33        47
+   N_TTR_5   CB_TTR_7     1 2.767468e-03 2.102586e-05 ; 0.443382  9.106501e-02     0.012961        0.000292      0.004451  2.411251e-04       False fibril_MD        33        48
+   N_TTR_5   CG_TTR_7     1 5.119342e-03 4.077185e-05 ; 0.446880  1.606970e-01     0.628567        0.000779      0.004451  2.411251e-04       False fibril_MD        33        49
+   N_TTR_5  CD1_TTR_7     1 1.095100e-03 1.801712e-06 ; 0.343588  1.664035e-01     0.883180        0.000863      0.004451  2.411251e-04       False fibril_MD        33        50
+   N_TTR_5  CD2_TTR_7     1 1.095100e-03 1.801712e-06 ; 0.343588  1.664035e-01     0.883180        0.000863      0.004451  2.411251e-04       False fibril_MD        33        51
+   N_TTR_5    O_TTR_7     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000118      0.004451  2.411251e-04       False fibril_MD        33        53
    N_TTR_5    O_TTR_8     1 9.629042e-05 2.479307e-08 ; 0.252227  9.349229e-02     0.004236        0.001923      0.001408  9.187836e-03        True native_MD        33        59
-  CA_TTR_5   CA_TTR_5     1 6.228502e-03 3.344339e-05 ; 0.418460  2.899993e-01     0.999999        0.000281      0.004451  7.281617e-03       False fibril_MD        34        34
-  CA_TTR_5   CB_TTR_5     1 5.441999e-03 2.472338e-05 ; 0.406966  2.994671e-01     0.999329        0.000497      0.004451  8.926588e-03       False fibril_MD        34        35
-  CA_TTR_5    C_TTR_5     1 4.750860e-03 1.884045e-05 ; 0.397850  2.994976e-01     1.000000        0.000041      0.004451  8.926971e-03       False fibril_MD        34        36
-  CA_TTR_5    O_TTR_5     1 7.818781e-04 5.102978e-07 ; 0.294520  2.994983e-01     1.000000        0.000089      0.004451  8.927106e-03       False fibril_MD        34        37
-  CA_TTR_5    N_TTR_6     1 1.079746e-02 9.795220e-05 ; 0.456684  2.975564e-01     0.955225        0.000027      0.004451  8.927042e-03       False fibril_MD        34        38
-  CA_TTR_5   CA_TTR_6     1 2.759005e-02 6.562606e-04 ; 0.536275  2.899804e-01     0.999533        0.000202      0.004451  7.281617e-03       False fibril_MD        34        39
-  CA_TTR_5   CB_TTR_6     1 1.436468e-02 3.219201e-04 ; 0.530977  1.602449e-01     0.194000        0.000245      0.004451  2.411251e-04       False fibril_MD        34        40
-  CA_TTR_5   CG_TTR_6     1 1.620644e-02 3.824210e-04 ; 0.535561  1.717013e-01     0.876647        0.000687      0.004451  2.411251e-04       False fibril_MD        34        41
-  CA_TTR_5  CD1_TTR_6     1 3.997827e-03 2.435605e-05 ; 0.427363  1.640518e-01     0.583646        0.000629      0.004451  2.411251e-04       False fibril_MD        34        42
-  CA_TTR_5  CD2_TTR_6     1 3.997827e-03 2.435605e-05 ; 0.427363  1.640518e-01     0.583646        0.000629      0.004451  2.411251e-04       False fibril_MD        34        43
-  CA_TTR_5    C_TTR_6     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000126        0.000041      0.004451  2.411251e-04       False fibril_MD        34        44
-  CA_TTR_5    O_TTR_6     1 2.720906e-03 2.333065e-05 ; 0.452414  7.933048e-02     0.006565        0.000092      0.004451  2.411251e-04       False fibril_MD        34        45
-  CA_TTR_5    N_TTR_7     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000016      0.004451  2.411251e-04       False fibril_MD        34        46
-  CA_TTR_5   CA_TTR_7     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000602        0.000292      0.004451  2.411251e-04       False fibril_MD        34        47
-  CA_TTR_5   CB_TTR_7     1 1.194905e-02 2.562333e-04 ; 0.527089  1.393066e-01     0.125466        0.000379      0.004451  2.411251e-04       False fibril_MD        34        48
-  CA_TTR_5   CG_TTR_7     1 1.024134e-02 1.601372e-04 ; 0.500061  1.637423e-01     0.944407        0.001031      0.004451  2.411251e-04       False fibril_MD        34        49
-  CA_TTR_5  CD1_TTR_7     1 2.012391e-03 6.046614e-06 ; 0.379869  1.674374e-01     0.958369        0.000897      0.004451  2.411251e-04       False fibril_MD        34        50
-  CA_TTR_5  CD2_TTR_7     1 2.012391e-03 6.046614e-06 ; 0.379869  1.674374e-01     0.958369        0.000897      0.004451  2.411251e-04       False fibril_MD        34        51
-  CA_TTR_5    C_TTR_7     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000081      0.004451  2.411251e-04       False fibril_MD        34        52
-  CA_TTR_5    O_TTR_7     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000136      0.004451  2.411251e-04       False fibril_MD        34        53
+  CA_TTR_5   CA_TTR_5     1 6.228502e-03 3.344339e-05 ; 0.418460  2.899993e-01     0.999999        0.001544      0.004451  7.281617e-03       False fibril_MD        34        34
+  CA_TTR_5   CB_TTR_5     1 5.441999e-03 2.472338e-05 ; 0.406966  2.994671e-01     0.999329        0.002136      0.004451  8.926588e-03       False fibril_MD        34        35
+  CA_TTR_5    C_TTR_5     1 4.750860e-03 1.884045e-05 ; 0.397850  2.994976e-01     1.000000        0.000539      0.004451  8.926971e-03       False fibril_MD        34        36
+  CA_TTR_5    O_TTR_5     1 7.818781e-04 5.102978e-07 ; 0.294520  2.994983e-01     1.000000        0.000608      0.004451  8.927106e-03       False fibril_MD        34        37
+  CA_TTR_5    N_TTR_6     1 1.079746e-02 9.795220e-05 ; 0.456684  2.975564e-01     0.955225        0.000321      0.004451  8.927042e-03       False fibril_MD        34        38
+  CA_TTR_5   CA_TTR_6     1 2.759005e-02 6.562606e-04 ; 0.536275  2.899804e-01     0.999533        0.001838      0.004451  7.281617e-03       False fibril_MD        34        39
+  CA_TTR_5   CB_TTR_6     1 9.995044e-03 2.239941e-04 ; 0.530977  1.114995e-01     0.194000        0.001866      0.004451  2.411251e-04       False fibril_MD        34        40
+  CA_TTR_5   CG_TTR_6     1 1.215596e-02 2.868424e-04 ; 0.535561  1.287879e-01     0.876647        0.004104      0.004451  2.411251e-04       False fibril_MD        34        41
+  CA_TTR_5  CD1_TTR_6     1 3.032295e-03 1.847372e-05 ; 0.427363  1.244310e-01     0.583646        0.003276      0.004451  2.411251e-04       False fibril_MD        34        42
+  CA_TTR_5  CD2_TTR_6     1 3.032295e-03 1.847372e-05 ; 0.427363  1.244310e-01     0.583646        0.003276      0.004451  2.411251e-04       False fibril_MD        34        43
+  CA_TTR_5    C_TTR_6     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000126        0.000477      0.004451  2.411251e-04       False fibril_MD        34        44
+  CA_TTR_5    O_TTR_6     1 0.000000e+00 8.306989e-05 ; 0.457039 -8.306989e-05     0.006565        0.000669      0.004451  2.411251e-04       False fibril_MD        34        45
+  CA_TTR_5    N_TTR_7     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000219      0.004451  2.411251e-04       False fibril_MD        34        46
+  CA_TTR_5   CA_TTR_7     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000602        0.001847      0.004451  2.411251e-04       False fibril_MD        34        47
+  CA_TTR_5   CB_TTR_7     1 8.703113e-03 1.866279e-04 ; 0.527089  1.014642e-01     0.125466        0.001833      0.004451  2.411251e-04       False fibril_MD        34        48
+  CA_TTR_5   CG_TTR_7     1 8.180130e-03 1.279074e-04 ; 0.500061  1.307870e-01     0.944407        0.004068      0.004451  2.411251e-04       False fibril_MD        34        49
+  CA_TTR_5  CD1_TTR_7     1 1.652786e-03 4.966110e-06 ; 0.379869  1.375171e-01     0.958369        0.003119      0.004451  2.411251e-04       False fibril_MD        34        50
+  CA_TTR_5  CD2_TTR_7     1 1.652786e-03 4.966110e-06 ; 0.379869  1.375171e-01     0.958369        0.003119      0.004451  2.411251e-04       False fibril_MD        34        51
+  CA_TTR_5    C_TTR_7     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000599      0.004451  2.411251e-04       False fibril_MD        34        52
+  CA_TTR_5    O_TTR_7     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000671      0.004451  2.411251e-04       False fibril_MD        34        53
   CA_TTR_5 CD1_TTR_10     1 1.216465e-03 5.118677e-06 ; 0.401800  7.227389e-02     0.001580        0.004698      0.001408  6.281093e-03        True native_MD        34        71
   CA_TTR_5 CD2_TTR_10     1 1.216465e-03 5.118677e-06 ; 0.401800  7.227389e-02     0.001580        0.004698      0.001408  6.281093e-03        True native_MD        34        72
   CA_TTR_5   O_TTR_10     1 5.455101e-04 1.014833e-06 ; 0.350697  7.330794e-02     0.001665        0.000879      0.001408  6.281274e-03        True native_MD        34        78
@@ -1437,25 +1437,25 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
   CA_TTR_5   C_TTR_11     1 1.430913e-03 4.643767e-06 ; 0.384777  1.102291e-01     0.010823        0.000669      0.001408  6.281093e-03        True native_MD        34        83
   CA_TTR_5  O1_TTR_11     1 3.531902e-04 3.086285e-07 ; 0.309199  1.010465e-01     0.006794        0.000337      0.001408  6.281320e-03        True native_MD        34        84
   CA_TTR_5  O2_TTR_11     1 3.531902e-04 3.086285e-07 ; 0.309199  1.010465e-01     0.006794        0.000337      0.001408  6.281320e-03        True native_MD        34        85
-  CB_TTR_5   CB_TTR_5     1 3.545346e-03 1.017526e-05 ; 0.376977  3.088245e-01     0.973968        0.000444      0.004451  1.097310e-02       False fibril_MD        35        35
-  CB_TTR_5    C_TTR_5     1 6.457288e-03 3.462890e-05 ; 0.418374  3.010244e-01     0.816760        0.000124      0.004451  1.097358e-02       False fibril_MD        35        36
-  CB_TTR_5    O_TTR_5     1 1.422445e-03 1.642824e-06 ; 0.323911  3.079072e-01     0.953951        0.000167      0.004451  1.097375e-02       False fibril_MD        35        37
-  CB_TTR_5    N_TTR_6     1 5.789166e-03 3.589383e-05 ; 0.428615  2.334276e-01     0.177730        0.000059      0.004451  1.097367e-02       False fibril_MD        35        38
-  CB_TTR_5   CA_TTR_6     1 1.119139e-02 2.138109e-04 ; 0.517040  1.464462e-01     0.108303        0.000243      0.004451  2.411251e-04       False fibril_MD        35        39
-  CB_TTR_5   CB_TTR_6     1 6.987408e-03 6.593310e-05 ; 0.459689  1.851265e-01     0.654007        0.000293      0.004451  2.411251e-04       False fibril_MD        35        40
-  CB_TTR_5   CG_TTR_6     1 3.594969e-03 1.860210e-05 ; 0.415889  1.736875e-01     0.993836        0.000717      0.004451  2.411251e-04       False fibril_MD        35        41
-  CB_TTR_5  CD1_TTR_6     1 8.277041e-04 9.819603e-07 ; 0.325364  1.744200e-01     0.896012        0.000627      0.004451  2.411251e-04       False fibril_MD        35        42
-  CB_TTR_5  CD2_TTR_6     1 8.277041e-04 9.819603e-07 ; 0.325364  1.744200e-01     0.896012        0.000627      0.004451  2.411251e-04       False fibril_MD        35        43
-  CB_TTR_5    C_TTR_6     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000006        0.000091      0.004451  2.411251e-04       False fibril_MD        35        44
-  CB_TTR_5    O_TTR_6     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.001000        0.000135      0.004451  2.411251e-04       False fibril_MD        35        45
-  CB_TTR_5    N_TTR_7     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000000        0.000047      0.004451  2.411251e-04       False fibril_MD        35        46
-  CB_TTR_5   CA_TTR_7     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000000        0.000380      0.004451  2.411251e-04       False fibril_MD        35        47
-  CB_TTR_5   CB_TTR_7     1 0.000000e+00 1.151981e-05 ; 0.387662 -1.151981e-05     0.000068        0.000457      0.004451  2.411251e-04       False fibril_MD        35        48
-  CB_TTR_5   CG_TTR_7     1 5.437081e-03 8.775117e-05 ; 0.502707  8.422066e-02     0.034512        0.001034      0.004451  2.411251e-04       False fibril_MD        35        49
-  CB_TTR_5  CD1_TTR_7     1 3.430416e-03 2.264017e-05 ; 0.433101  1.299433e-01     0.227277        0.001014      0.004451  2.411251e-04       False fibril_MD        35        50
-  CB_TTR_5  CD2_TTR_7     1 3.430416e-03 2.264017e-05 ; 0.433101  1.299433e-01     0.227277        0.001014      0.004451  2.411251e-04       False fibril_MD        35        51
-  CB_TTR_5    C_TTR_7     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000160      0.004451  2.411251e-04       False fibril_MD        35        52
-  CB_TTR_5    O_TTR_7     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000000        0.000196      0.004451  2.411251e-04       False fibril_MD        35        53
+  CB_TTR_5   CB_TTR_5     1 3.545346e-03 1.017526e-05 ; 0.376977  3.088245e-01     0.973968        0.001413      0.004451  1.097310e-02       False fibril_MD        35        35
+  CB_TTR_5    C_TTR_5     1 6.457288e-03 3.462890e-05 ; 0.418374  3.010244e-01     0.816760        0.000958      0.004451  1.097358e-02       False fibril_MD        35        36
+  CB_TTR_5    O_TTR_5     1 1.422445e-03 1.642824e-06 ; 0.323911  3.079072e-01     0.953951        0.000798      0.004451  1.097375e-02       False fibril_MD        35        37
+  CB_TTR_5    N_TTR_6     1 5.789166e-03 3.589383e-05 ; 0.428615  2.334276e-01     0.177730        0.000642      0.004451  1.097367e-02       False fibril_MD        35        38
+  CB_TTR_5   CA_TTR_6     1 7.192155e-03 1.374057e-04 ; 0.517040  9.411377e-02     0.108303        0.002149      0.004451  2.411251e-04       False fibril_MD        35        39
+  CB_TTR_5   CB_TTR_6     1 5.237833e-03 4.942413e-05 ; 0.459689  1.387728e-01     0.654007        0.002020      0.004451  2.411251e-04       False fibril_MD        35        40
+  CB_TTR_5   CG_TTR_6     1 2.773084e-03 1.434927e-05 ; 0.415889  1.339789e-01     0.993836        0.003748      0.004451  2.411251e-04       False fibril_MD        35        41
+  CB_TTR_5  CD1_TTR_6     1 6.519615e-04 7.734652e-07 ; 0.325364  1.373862e-01     0.896012        0.002932      0.004451  2.411251e-04       False fibril_MD        35        42
+  CB_TTR_5  CD2_TTR_6     1 6.519615e-04 7.734652e-07 ; 0.325364  1.373862e-01     0.896012        0.002932      0.004451  2.411251e-04       False fibril_MD        35        43
+  CB_TTR_5    C_TTR_6     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000006        0.000925      0.004451  2.411251e-04       False fibril_MD        35        44
+  CB_TTR_5    O_TTR_6     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.001000        0.000926      0.004451  2.411251e-04       False fibril_MD        35        45
+  CB_TTR_5    N_TTR_7     1 0.000000e+00 2.742926e-06 ; 0.343968 -2.742926e-06     0.000000        0.000542      0.004451  2.411251e-04       False fibril_MD        35        46
+  CB_TTR_5   CA_TTR_7     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.000000        0.002247      0.004451  2.411251e-04       False fibril_MD        35        47
+  CB_TTR_5   CB_TTR_7     1 0.000000e+00 1.151981e-05 ; 0.387662 -1.151981e-05     0.000068        0.001996      0.004451  2.411251e-04       False fibril_MD        35        48
+  CB_TTR_5   CG_TTR_7     1 0.000000e+00 4.747582e-04 ; 0.528493 -4.747582e-04     0.034512        0.003752      0.004451  2.411251e-04       False fibril_MD        35        49
+  CB_TTR_5  CD1_TTR_7     1 2.717841e-03 1.793729e-05 ; 0.433101  1.029512e-01     0.227277        0.003121      0.004451  2.411251e-04       False fibril_MD        35        50
+  CB_TTR_5  CD2_TTR_7     1 2.717841e-03 1.793729e-05 ; 0.433101  1.029512e-01     0.227277        0.003121      0.004451  2.411251e-04       False fibril_MD        35        51
+  CB_TTR_5    C_TTR_7     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.001027      0.004451  2.411251e-04       False fibril_MD        35        52
+  CB_TTR_5    O_TTR_7     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000000        0.000939      0.004451  2.411251e-04       False fibril_MD        35        53
   CB_TTR_5    N_TTR_9     1 4.564726e-04 7.384454e-07 ; 0.342624  7.054252e-02     0.001444        0.005840      0.001408  9.186876e-03        True native_MD        35        60
   CB_TTR_5 CD1_TTR_10     1 6.345947e-04 1.429599e-06 ; 0.362065  7.042366e-02     0.001436        0.006513      0.001408  9.186744e-03        True native_MD        35        71
   CB_TTR_5 CD2_TTR_10     1 6.345947e-04 1.429599e-06 ; 0.362065  7.042366e-02     0.001436        0.006513      0.001408  9.186744e-03        True native_MD        35        72
@@ -1469,24 +1469,24 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
   CB_TTR_5   C_TTR_11     1 1.077863e-03 2.577112e-06 ; 0.365675  1.127026e-01     0.010430        0.000799      0.001408  9.186744e-03        True native_MD        35        83
   CB_TTR_5  O1_TTR_11     1 2.745321e-04 1.814603e-07 ; 0.295142  1.038352e-01     0.006881        0.000491      0.001408  9.187057e-03        True native_MD        35        84
   CB_TTR_5  O2_TTR_11     1 2.745321e-04 1.814603e-07 ; 0.295142  1.038352e-01     0.006881        0.000491      0.001408  9.187057e-03        True native_MD        35        85
-   C_TTR_5    C_TTR_5     1 6.853305e-03 3.827965e-05 ; 0.421222  3.067413e-01     0.929153        0.000000      0.004451  1.097406e-02       False fibril_MD        36        36
-   C_TTR_5    O_TTR_5     1 1.297881e-03 1.358490e-06 ; 0.318642  3.099942e-01     0.999891        0.000011      0.004451  1.097422e-02       False fibril_MD        36        37
-   C_TTR_5    N_TTR_6     1 2.767215e-03 6.176154e-06 ; 0.361504  3.099614e-01     0.999158        0.000000      0.004451  1.097414e-02       False fibril_MD        36        38
-   C_TTR_5   CA_TTR_6     1 1.006922e-02 8.465076e-05 ; 0.450927  2.994336e-01     0.998492        0.000005      0.004451  8.926971e-03       False fibril_MD        36        39
-   C_TTR_5   CB_TTR_6     1 8.402362e-03 5.967788e-05 ; 0.438432  2.957532e-01     0.810347        0.000013      0.004451  9.945448e-03       False fibril_MD        36        40
-   C_TTR_5   CG_TTR_6     1 6.510837e-03 6.348438e-05 ; 0.462209  1.669347e-01     0.252284        0.000049      0.004451  2.411251e-04       False fibril_MD        36        41
-   C_TTR_5  CD1_TTR_6     1 2.663271e-03 1.285765e-05 ; 0.411110  1.379143e-01     0.075326        0.000081      0.004451  2.411251e-04       False fibril_MD        36        42
-   C_TTR_5  CD2_TTR_6     1 2.663271e-03 1.285765e-05 ; 0.411110  1.379143e-01     0.075326        0.000081      0.004451  2.411251e-04       False fibril_MD        36        43
-   C_TTR_5    C_TTR_6     1 6.289788e-03 4.199340e-05 ; 0.433934  2.355217e-01     0.186323        0.000000      0.004451  1.097406e-02       False fibril_MD        36        44
-   C_TTR_5    O_TTR_6     1 2.308832e-03 6.969900e-06 ; 0.380165  1.912046e-01     0.693269        0.000005      0.004451  2.411251e-04       False fibril_MD        36        45
-   C_TTR_5    N_TTR_7     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        36        46
-   C_TTR_5   CA_TTR_7     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000010      0.004451  2.411251e-04       False fibril_MD        36        47
-   C_TTR_5   CB_TTR_7     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000519        0.000009      0.004451  2.411251e-04       False fibril_MD        36        48
-   C_TTR_5   CG_TTR_7     1 7.977125e-03 8.223149e-05 ; 0.466515  1.934615e-01     0.761600        0.000116      0.004451  2.411251e-04       False fibril_MD        36        49
-   C_TTR_5  CD1_TTR_7     1 1.397370e-03 2.801311e-06 ; 0.355093  1.742615e-01     0.342312        0.000239      0.004451  2.411251e-04       False fibril_MD        36        50
-   C_TTR_5  CD2_TTR_7     1 1.397370e-03 2.801311e-06 ; 0.355093  1.742615e-01     0.342312        0.000239      0.004451  2.411251e-04       False fibril_MD        36        51
-   C_TTR_5    C_TTR_7     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        36        52
-   C_TTR_5    O_TTR_7     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000005      0.004451  2.411251e-04       False fibril_MD        36        53
+   C_TTR_5    C_TTR_5     1 6.853305e-03 3.827965e-05 ; 0.421222  3.067413e-01     0.929153        0.000014      0.004451  1.097406e-02       False fibril_MD        36        36
+   C_TTR_5    O_TTR_5     1 1.297881e-03 1.358490e-06 ; 0.318642  3.099942e-01     0.999891        0.000061      0.004451  1.097422e-02       False fibril_MD        36        37
+   C_TTR_5    N_TTR_6     1 2.767215e-03 6.176154e-06 ; 0.361504  3.099614e-01     0.999158        0.000013      0.004451  1.097414e-02       False fibril_MD        36        38
+   C_TTR_5   CA_TTR_6     1 1.006922e-02 8.465076e-05 ; 0.450927  2.994336e-01     0.998492        0.000173      0.004451  8.926971e-03       False fibril_MD        36        39
+   C_TTR_5   CB_TTR_6     1 8.402362e-03 5.967788e-05 ; 0.438432  2.957532e-01     0.810347        0.000362      0.004451  9.945448e-03       False fibril_MD        36        40
+   C_TTR_5   CG_TTR_6     1 5.192056e-03 5.062552e-05 ; 0.462209  1.331218e-01     0.252284        0.000986      0.004451  2.411251e-04       False fibril_MD        36        41
+   C_TTR_5  CD1_TTR_6     1 1.926247e-03 9.299469e-06 ; 0.411110  9.974839e-02     0.075326        0.001182      0.004451  2.411251e-04       False fibril_MD        36        42
+   C_TTR_5  CD2_TTR_6     1 1.926247e-03 9.299469e-06 ; 0.411110  9.974839e-02     0.075326        0.001182      0.004451  2.411251e-04       False fibril_MD        36        43
+   C_TTR_5    C_TTR_6     1 6.289788e-03 4.199340e-05 ; 0.433934  2.355217e-01     0.186323        0.000021      0.004451  1.097406e-02       False fibril_MD        36        44
+   C_TTR_5    O_TTR_6     1 2.308832e-03 6.969900e-06 ; 0.380165  1.912046e-01     0.693269        0.000088      0.004451  2.411251e-04       False fibril_MD        36        45
+   C_TTR_5    N_TTR_7     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000014      0.004451  2.411251e-04       False fibril_MD        36        46
+   C_TTR_5   CA_TTR_7     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000200      0.004451  2.411251e-04       False fibril_MD        36        47
+   C_TTR_5   CB_TTR_7     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000519        0.000372      0.004451  2.411251e-04       False fibril_MD        36        48
+   C_TTR_5   CG_TTR_7     1 6.609350e-03 6.813191e-05 ; 0.466515  1.602902e-01     0.761600        0.000960      0.004451  2.411251e-04       False fibril_MD        36        49
+   C_TTR_5  CD1_TTR_7     1 1.082258e-03 2.169605e-06 ; 0.355093  1.349649e-01     0.342312        0.001239      0.004451  2.411251e-04       False fibril_MD        36        50
+   C_TTR_5  CD2_TTR_7     1 1.082258e-03 2.169605e-06 ; 0.355093  1.349649e-01     0.342312        0.001239      0.004451  2.411251e-04       False fibril_MD        36        51
+   C_TTR_5    C_TTR_7     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000022      0.004451  2.411251e-04       False fibril_MD        36        52
+   C_TTR_5    O_TTR_7     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000089      0.004451  2.411251e-04       False fibril_MD        36        53
    C_TTR_5   CA_TTR_9     1 1.356524e-03 6.357217e-06 ; 0.409078  7.236494e-02     0.001587        0.004295      0.001408  6.281093e-03        True native_MD        36        61
    C_TTR_5  OH_TTR_10     1 4.171509e-04 4.112092e-07 ; 0.315473  1.057946e-01     0.007543        0.005937      0.001408  9.187671e-03        True native_MD        36        76
    C_TTR_5  CA_TTR_11     1 1.979868e-03 8.205396e-06 ; 0.400784  1.194299e-01     0.017256        0.000505      0.001408  6.281093e-03        True native_MD        36        80
@@ -1495,22 +1495,22 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
    C_TTR_5   C_TTR_11     1 6.298069e-04 9.911010e-07 ; 0.341050  1.000546e-01     0.005763        0.000027      0.001408  9.187454e-03        True native_MD        36        83
    C_TTR_5  O1_TTR_11     1 2.374678e-04 1.554157e-07 ; 0.294656  9.070983e-02     0.003718        0.000011      0.001408  9.187767e-03        True native_MD        36        84
    C_TTR_5  O2_TTR_11     1 2.374678e-04 1.554157e-07 ; 0.294656  9.070983e-02     0.003718        0.000011      0.001408  9.187767e-03        True native_MD        36        85
-   O_TTR_5    O_TTR_5     1 4.680683e-03 2.766041e-05 ; 0.425198  1.980158e-01     0.920679        0.000052      0.004451  2.411251e-04       False fibril_MD        37        37
-   O_TTR_5    N_TTR_6     1 3.149714e-04 8.000575e-08 ; 0.251657  3.099995e-01     1.000000        0.000010      0.004451  1.097431e-02       False fibril_MD        37        38
-   O_TTR_5   CA_TTR_6     1 1.957384e-03 3.198152e-06 ; 0.343192  2.994974e-01     0.999979        0.000016      0.004451  8.927106e-03       False fibril_MD        37        39
-   O_TTR_5   CB_TTR_6     1 1.347679e-03 2.274196e-06 ; 0.345043  1.996571e-01     0.985820        0.000017      0.004451  2.411251e-04       False fibril_MD        37        40
-   O_TTR_5   CG_TTR_6     1 1.698713e-03 4.076395e-06 ; 0.365897  1.769716e-01     0.383217        0.000089      0.004451  2.411251e-04       False fibril_MD        37        41
-   O_TTR_5  CD1_TTR_6     1 5.109085e-04 5.647057e-07 ; 0.321549  1.155591e-01     0.029687        0.000111      0.004451  2.411251e-04       False fibril_MD        37        42
-   O_TTR_5  CD2_TTR_6     1 5.109085e-04 5.647057e-07 ; 0.321549  1.155591e-01     0.029687        0.000111      0.004451  2.411251e-04       False fibril_MD        37        43
-   O_TTR_5    C_TTR_6     1 1.911803e-03 4.623519e-06 ; 0.366371  1.976304e-01     0.906018        0.000000      0.004451  2.411251e-04       False fibril_MD        37        44
-   O_TTR_5    O_TTR_6     1 7.933354e-04 7.867382e-07 ; 0.315788  1.999970e-01     0.999874        0.000065      0.004451  2.411251e-04       False fibril_MD        37        45
-   O_TTR_5    N_TTR_7     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000007        0.000005      0.004451  2.411251e-04       False fibril_MD        37        46
-   O_TTR_5   CA_TTR_7     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000072        0.000018      0.004451  2.411251e-04       False fibril_MD        37        47
-   O_TTR_5   CB_TTR_7     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000730        0.000032      0.004451  2.411251e-04       False fibril_MD        37        48
-   O_TTR_5   CG_TTR_7     1 3.944685e-03 2.081399e-05 ; 0.417244  1.869000e-01     0.579477        0.000144      0.004451  2.411251e-04       False fibril_MD        37        49
-   O_TTR_5  CD1_TTR_7     1 4.954228e-04 3.176264e-07 ; 0.293646  1.931858e-01     0.752905        0.000129      0.004451  2.411251e-04       False fibril_MD        37        50
-   O_TTR_5  CD2_TTR_7     1 4.954228e-04 3.176264e-07 ; 0.293646  1.931858e-01     0.752905        0.000129      0.004451  2.411251e-04       False fibril_MD        37        51
-   O_TTR_5    C_TTR_7     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000003      0.004451  2.411251e-04       False fibril_MD        37        52
+   O_TTR_5    O_TTR_5     1 4.680683e-03 2.766041e-05 ; 0.425198  1.980158e-01     0.920679        0.000235      0.004451  2.411251e-04       False fibril_MD        37        37
+   O_TTR_5    N_TTR_6     1 3.149714e-04 8.000575e-08 ; 0.251657  3.099995e-01     1.000000        0.000051      0.004451  1.097431e-02       False fibril_MD        37        38
+   O_TTR_5   CA_TTR_6     1 1.957384e-03 3.198152e-06 ; 0.343192  2.994974e-01     0.999979        0.000283      0.004451  8.927106e-03       False fibril_MD        37        39
+   O_TTR_5   CB_TTR_6     1 1.258519e-03 2.123739e-06 ; 0.345043  1.864482e-01     0.985820        0.000418      0.004451  2.411251e-04       False fibril_MD        37        40
+   O_TTR_5   CG_TTR_6     1 1.356171e-03 3.254400e-06 ; 0.365897  1.412857e-01     0.383217        0.001066      0.004451  2.411251e-04       False fibril_MD        37        41
+   O_TTR_5  CD1_TTR_6     1 3.567811e-04 3.943491e-07 ; 0.321549  8.069801e-02     0.029687        0.001030      0.004451  2.411251e-04       False fibril_MD        37        42
+   O_TTR_5  CD2_TTR_6     1 3.567811e-04 3.943491e-07 ; 0.321549  8.069801e-02     0.029687        0.001030      0.004451  2.411251e-04       False fibril_MD        37        43
+   O_TTR_5    C_TTR_6     1 1.911803e-03 4.623519e-06 ; 0.366371  1.976304e-01     0.906018        0.000051      0.004451  2.411251e-04       False fibril_MD        37        44
+   O_TTR_5    O_TTR_6     1 7.176139e-04 7.116464e-07 ; 0.315788  1.809079e-01     0.999874        0.000534      0.004451  2.411251e-04       False fibril_MD        37        45
+   O_TTR_5    N_TTR_7     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000007        0.000046      0.004451  2.411251e-04       False fibril_MD        37        46
+   O_TTR_5   CA_TTR_7     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000072        0.000278      0.004451  2.411251e-04       False fibril_MD        37        47
+   O_TTR_5   CB_TTR_7     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000730        0.000409      0.004451  2.411251e-04       False fibril_MD        37        48
+   O_TTR_5   CG_TTR_7     1 3.202070e-03 1.689561e-05 ; 0.417244  1.517147e-01     0.579477        0.001044      0.004451  2.411251e-04       False fibril_MD        37        49
+   O_TTR_5  CD1_TTR_7     1 4.100993e-04 2.629237e-07 ; 0.293646  1.599147e-01     0.752905        0.000964      0.004451  2.411251e-04       False fibril_MD        37        50
+   O_TTR_5  CD2_TTR_7     1 4.100993e-04 2.629237e-07 ; 0.293646  1.599147e-01     0.752905        0.000964      0.004451  2.411251e-04       False fibril_MD        37        51
+   O_TTR_5    C_TTR_7     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000068      0.004451  2.411251e-04       False fibril_MD        37        52
    O_TTR_5    O_TTR_7     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        37        53
    O_TTR_5    O_TTR_8     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        37        59
    O_TTR_5   CA_TTR_9     1 3.394148e-04 3.657800e-07 ; 0.320195  7.873749e-02     0.002192        0.005087      0.001408  6.281274e-03        True native_MD        37        61
@@ -1527,24 +1527,24 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
    O_TTR_5  O1_TTR_11     1 0.000000e+00 2.428469e-06 ; 0.340495 -2.428469e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        37        84
    O_TTR_5  O2_TTR_11     1 0.000000e+00 2.428469e-06 ; 0.340495 -2.428469e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        37        85
    N_TTR_6    N_TTR_6     1 2.753296e-03 1.052345e-05 ; 0.395413  1.800892e-01     0.053349        0.000000      0.004451  1.097423e-02       False fibril_MD        38        38
-   N_TTR_6   CA_TTR_6     1 5.967764e-03 2.972833e-05 ; 0.413263  2.994971e-01     0.999980        0.000001      0.004451  8.927042e-03       False fibril_MD        38        39
-   N_TTR_6   CB_TTR_6     1 7.490448e-03 5.296404e-05 ; 0.438106  2.648345e-01     0.397295        0.000007      0.004451  9.945528e-03       False fibril_MD        38        40
-   N_TTR_6   CG_TTR_6     1 9.505116e-03 8.953384e-05 ; 0.459556  2.522712e-01     0.328165        0.000039      0.004451  8.927042e-03       False fibril_MD        38        41
-   N_TTR_6  CD1_TTR_6     1 2.079878e-03 7.017392e-06 ; 0.387278  1.541133e-01     0.147899        0.000062      0.004451  2.411251e-04       False fibril_MD        38        42
-   N_TTR_6  CD2_TTR_6     1 2.079878e-03 7.017392e-06 ; 0.387278  1.541133e-01     0.147899        0.000062      0.004451  2.411251e-04       False fibril_MD        38        43
-   N_TTR_6    O_TTR_6     1 2.798213e-03 7.217083e-06 ; 0.370323  2.712314e-01     0.417009        0.000000      0.004451  1.097431e-02       False fibril_MD        38        45
-   N_TTR_6   CA_TTR_7     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000001        0.000000      0.004451  2.411251e-04       False fibril_MD        38        47
-   N_TTR_6   CB_TTR_7     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000036        0.000005      0.004451  2.411251e-04       False fibril_MD        38        48
-   N_TTR_6   CG_TTR_7     1 6.078452e-03 4.949816e-05 ; 0.448538  1.866109e-01     0.572541        0.000042      0.004451  2.411251e-04       False fibril_MD        38        49
-   N_TTR_6  CD1_TTR_7     1 1.614931e-03 3.325529e-06 ; 0.356685  1.960593e-01     0.848628        0.000065      0.004451  2.411251e-04       False fibril_MD        38        50
-   N_TTR_6  CD2_TTR_7     1 1.614931e-03 3.325529e-06 ; 0.356685  1.960593e-01     0.848628        0.000065      0.004451  2.411251e-04       False fibril_MD        38        51
-   N_TTR_6    C_TTR_7     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        38        52
-   N_TTR_6    O_TTR_7     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000001      0.004451  2.411251e-04       False fibril_MD        38        53
-   N_TTR_6    N_TTR_8     1 0.000000e+00 8.752940e-07 ; 0.312737 -8.752940e-07     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        38        54
-   N_TTR_6   CA_TTR_8     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000026      0.004451  2.411251e-04       False fibril_MD        38        55
-   N_TTR_6   CB_TTR_8     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000066      0.004451  2.411251e-04       False fibril_MD        38        56
-   N_TTR_6   OG_TTR_8     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000000        0.000062      0.004451  2.411251e-04       False fibril_MD        38        57
-   N_TTR_6    O_TTR_8     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000005      0.004451  2.411251e-04       False fibril_MD        38        59
+   N_TTR_6   CA_TTR_6     1 5.967764e-03 2.972833e-05 ; 0.413263  2.994971e-01     0.999980        0.000063      0.004451  8.927042e-03       False fibril_MD        38        39
+   N_TTR_6   CB_TTR_6     1 7.490448e-03 5.296404e-05 ; 0.438106  2.648345e-01     0.397295        0.000150      0.004451  9.945528e-03       False fibril_MD        38        40
+   N_TTR_6   CG_TTR_6     1 9.505116e-03 8.953384e-05 ; 0.459556  2.522712e-01     0.328165        0.000547      0.004451  8.927042e-03       False fibril_MD        38        41
+   N_TTR_6  CD1_TTR_6     1 1.721840e-03 5.809392e-06 ; 0.387278  1.275837e-01     0.147899        0.000728      0.004451  2.411251e-04       False fibril_MD        38        42
+   N_TTR_6  CD2_TTR_6     1 1.721840e-03 5.809392e-06 ; 0.387278  1.275837e-01     0.147899        0.000728      0.004451  2.411251e-04       False fibril_MD        38        43
+   N_TTR_6    O_TTR_6     1 2.798213e-03 7.217083e-06 ; 0.370323  2.712314e-01     0.417009        0.000047      0.004451  1.097431e-02       False fibril_MD        38        45
+   N_TTR_6   CA_TTR_7     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000001        0.000123      0.004451  2.411251e-04       False fibril_MD        38        47
+   N_TTR_6   CB_TTR_7     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000036        0.000177      0.004451  2.411251e-04       False fibril_MD        38        48
+   N_TTR_6   CG_TTR_7     1 5.536786e-03 4.508726e-05 ; 0.448538  1.699815e-01     0.572541        0.000482      0.004451  2.411251e-04       False fibril_MD        38        49
+   N_TTR_6  CD1_TTR_7     1 1.411943e-03 2.907528e-06 ; 0.356685  1.714157e-01     0.848628        0.000673      0.004451  2.411251e-04       False fibril_MD        38        50
+   N_TTR_6  CD2_TTR_7     1 1.411943e-03 2.907528e-06 ; 0.356685  1.714157e-01     0.848628        0.000673      0.004451  2.411251e-04       False fibril_MD        38        51
+   N_TTR_6    C_TTR_7     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000013      0.004451  2.411251e-04       False fibril_MD        38        52
+   N_TTR_6    O_TTR_7     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000067      0.004451  2.411251e-04       False fibril_MD        38        53
+   N_TTR_6    N_TTR_8     1 0.000000e+00 8.752940e-07 ; 0.312737 -8.752940e-07     0.000000        0.000012      0.004451  2.411251e-04       False fibril_MD        38        54
+   N_TTR_6   CA_TTR_8     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000240      0.004451  2.411251e-04       False fibril_MD        38        55
+   N_TTR_6   CB_TTR_8     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000674      0.004451  2.411251e-04       False fibril_MD        38        56
+   N_TTR_6   OG_TTR_8     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000000        0.000455      0.004451  2.411251e-04       False fibril_MD        38        57
+   N_TTR_6    O_TTR_8     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000029      0.004451  2.411251e-04       False fibril_MD        38        59
    N_TTR_6 CE1_TTR_10     1 3.651701e-04 4.520487e-07 ; 0.327679  7.374717e-02     0.001678        0.001018      0.001408  9.187586e-03        True native_MD        38        73
    N_TTR_6 CE2_TTR_10     1 3.651701e-04 4.520487e-07 ; 0.327679  7.374717e-02     0.001678        0.001018      0.001408  9.187586e-03        True native_MD        38        74
    N_TTR_6  OH_TTR_10     1 1.340150e-04 4.789688e-08 ; 0.266395  9.374309e-02     0.004287        0.004198      0.001408  9.187803e-03        True native_MD        38        76
@@ -1552,27 +1552,27 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
    N_TTR_6  OG_TTR_11     1 1.878629e-04 7.850290e-08 ; 0.273427  1.123922e-01     0.010279        0.000382      0.001408  9.187803e-03        True native_MD        38        82
    N_TTR_6  O1_TTR_11     1 1.217565e-04 5.179370e-08 ; 0.274240  7.155619e-02     0.001514        0.000073      0.001408  9.187899e-03        True native_MD        38        84
    N_TTR_6  O2_TTR_11     1 1.217565e-04 5.179370e-08 ; 0.274240  7.155619e-02     0.001514        0.000073      0.001408  9.187899e-03        True native_MD        38        85
-  CA_TTR_6   CA_TTR_6     1 7.104906e-03 4.351708e-05 ; 0.427744  2.899993e-01     1.000000        0.000030      0.004451  7.281617e-03       False fibril_MD        39        39
-  CA_TTR_6   CB_TTR_6     1 5.654007e-03 2.710407e-05 ; 0.410626  2.948616e-01     0.999952        0.000076      0.004451  8.099766e-03       False fibril_MD        39        40
-  CA_TTR_6   CG_TTR_6     1 1.338871e-02 1.545372e-04 ; 0.475389  2.899911e-01     0.999797        0.000362      0.004451  7.281617e-03       False fibril_MD        39        41
-  CA_TTR_6  CD1_TTR_6     1 8.841720e-03 6.686303e-05 ; 0.443039  2.922991e-01     0.843842        0.000352      0.004451  8.926588e-03       False fibril_MD        39        42
-  CA_TTR_6  CD2_TTR_6     1 8.841720e-03 6.686303e-05 ; 0.443039  2.922991e-01     0.843842        0.000352      0.004451  8.926588e-03       False fibril_MD        39        43
-  CA_TTR_6    C_TTR_6     1 6.000653e-03 3.005687e-05 ; 0.413642  2.994976e-01     0.999999        0.000001      0.004451  8.926971e-03       False fibril_MD        39        44
-  CA_TTR_6    O_TTR_6     1 1.005395e-03 8.437598e-07 ; 0.307124  2.994982e-01     0.999998        0.000018      0.004451  8.927106e-03       False fibril_MD        39        45
-  CA_TTR_6    N_TTR_7     1 9.429913e-03 7.453379e-05 ; 0.446314  2.982649e-01     0.971327        0.000000      0.004451  8.927042e-03       False fibril_MD        39        46
-  CA_TTR_6   CA_TTR_7     1 2.969355e-02 7.601838e-04 ; 0.542887  2.899651e-01     0.999158        0.000051      0.004451  7.281617e-03       False fibril_MD        39        47
-  CA_TTR_6   CB_TTR_7     1 1.537838e-02 3.327115e-04 ; 0.527869  1.777024e-01     0.395060        0.000105      0.004451  2.411251e-04       False fibril_MD        39        48
-  CA_TTR_6   CG_TTR_7     1 1.509808e-02 2.994254e-04 ; 0.520269  1.903246e-01     0.970086        0.000350      0.004451  2.411251e-04       False fibril_MD        39        49
-  CA_TTR_6  CD1_TTR_7     1 5.161375e-03 3.451952e-05 ; 0.434060  1.929329e-01     0.963998        0.000312      0.004451  2.411251e-04       False fibril_MD        39        50
-  CA_TTR_6  CD2_TTR_7     1 5.161375e-03 3.451952e-05 ; 0.434060  1.929329e-01     0.963998        0.000312      0.004451  2.411251e-04       False fibril_MD        39        51
-  CA_TTR_6    C_TTR_7     1 4.590549e-03 7.033240e-05 ; 0.498366  7.490553e-02     0.005460        0.000015      0.004451  2.411251e-04       False fibril_MD        39        52
-  CA_TTR_6    O_TTR_7     1 4.079688e-03 3.376429e-05 ; 0.449751  1.232356e-01     0.040872        0.000041      0.004451  2.411251e-04       False fibril_MD        39        53
-  CA_TTR_6    N_TTR_8     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        39        54
-  CA_TTR_6   CA_TTR_8     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000000        0.000103      0.004451  2.411251e-04       False fibril_MD        39        55
-  CA_TTR_6   CB_TTR_8     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000000        0.000308      0.004451  2.411251e-04       False fibril_MD        39        56
-  CA_TTR_6   OG_TTR_8     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000021        0.000181      0.004451  2.411251e-04       False fibril_MD        39        57
-  CA_TTR_6    C_TTR_8     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000009      0.004451  2.411251e-04       False fibril_MD        39        58
-  CA_TTR_6    O_TTR_8     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000005      0.004451  2.411251e-04       False fibril_MD        39        59
+  CA_TTR_6   CA_TTR_6     1 7.104906e-03 4.351708e-05 ; 0.427744  2.899993e-01     1.000000        0.000382      0.004451  7.281617e-03       False fibril_MD        39        39
+  CA_TTR_6   CB_TTR_6     1 5.654007e-03 2.710407e-05 ; 0.410626  2.948616e-01     0.999952        0.000864      0.004451  8.099766e-03       False fibril_MD        39        40
+  CA_TTR_6   CG_TTR_6     1 1.338871e-02 1.545372e-04 ; 0.475389  2.899911e-01     0.999797        0.002547      0.004451  7.281617e-03       False fibril_MD        39        41
+  CA_TTR_6  CD1_TTR_6     1 8.841720e-03 6.686303e-05 ; 0.443039  2.922991e-01     0.843842        0.002340      0.004451  8.926588e-03       False fibril_MD        39        42
+  CA_TTR_6  CD2_TTR_6     1 8.841720e-03 6.686303e-05 ; 0.443039  2.922991e-01     0.843842        0.002340      0.004451  8.926588e-03       False fibril_MD        39        43
+  CA_TTR_6    C_TTR_6     1 6.000653e-03 3.005687e-05 ; 0.413642  2.994976e-01     0.999999        0.000119      0.004451  8.926971e-03       False fibril_MD        39        44
+  CA_TTR_6    O_TTR_6     1 1.005395e-03 8.437598e-07 ; 0.307124  2.994982e-01     0.999998        0.000324      0.004451  8.927106e-03       False fibril_MD        39        45
+  CA_TTR_6    N_TTR_7     1 9.429913e-03 7.453379e-05 ; 0.446314  2.982649e-01     0.971327        0.000054      0.004451  8.927042e-03       False fibril_MD        39        46
+  CA_TTR_6   CA_TTR_7     1 2.969355e-02 7.601838e-04 ; 0.542887  2.899651e-01     0.999158        0.000897      0.004451  7.281617e-03       False fibril_MD        39        47
+  CA_TTR_6   CB_TTR_7     1 1.224195e-02 2.648549e-04 ; 0.527869  1.414599e-01     0.395060        0.001091      0.004451  2.411251e-04       False fibril_MD        39        48
+  CA_TTR_6   CG_TTR_7     1 1.115468e-02 2.212197e-04 ; 0.520269  1.406146e-01     0.970086        0.002775      0.004451  2.411251e-04       False fibril_MD        39        49
+  CA_TTR_6  CD1_TTR_7     1 3.856058e-03 2.578949e-05 ; 0.434060  1.441399e-01     0.963998        0.002381      0.004451  2.411251e-04       False fibril_MD        39        50
+  CA_TTR_6  CD2_TTR_7     1 3.856058e-03 2.578949e-05 ; 0.434060  1.441399e-01     0.963998        0.002381      0.004451  2.411251e-04       False fibril_MD        39        51
+  CA_TTR_6    C_TTR_7     1 4.585220e-03 7.025076e-05 ; 0.498366  7.481857e-02     0.005460        0.000242      0.004451  2.411251e-04       False fibril_MD        39        52
+  CA_TTR_6    O_TTR_7     1 3.837553e-03 3.176033e-05 ; 0.449751  1.159214e-01     0.040872        0.000327      0.004451  2.411251e-04       False fibril_MD        39        53
+  CA_TTR_6    N_TTR_8     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000106      0.004451  2.411251e-04       False fibril_MD        39        54
+  CA_TTR_6   CA_TTR_8     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000000        0.001532      0.004451  2.411251e-04       False fibril_MD        39        55
+  CA_TTR_6   CB_TTR_8     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000000        0.002367      0.004451  2.411251e-04       False fibril_MD        39        56
+  CA_TTR_6   OG_TTR_8     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000021        0.001508      0.004451  2.411251e-04       False fibril_MD        39        57
+  CA_TTR_6    C_TTR_8     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000118      0.004451  2.411251e-04       False fibril_MD        39        58
+  CA_TTR_6    O_TTR_8     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000158      0.004451  2.411251e-04       False fibril_MD        39        59
   CA_TTR_6 CD1_TTR_10     1 1.541910e-03 8.072979e-06 ; 0.416705  7.362482e-02     0.001692        0.001617      0.001408  6.281093e-03        True native_MD        39        71
   CA_TTR_6 CD2_TTR_10     1 1.541910e-03 8.072979e-06 ; 0.416705  7.362482e-02     0.001692        0.001617      0.001408  6.281093e-03        True native_MD        39        72
   CA_TTR_6  CA_TTR_11     1 5.492820e-03 5.755966e-05 ; 0.467793  1.310426e-01     0.039723        0.001894      0.001408  4.204789e-03        True native_MD        39        80
@@ -1581,26 +1581,26 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
   CA_TTR_6   C_TTR_11     1 1.789721e-03 7.035438e-06 ; 0.397269  1.138202e-01     0.012984        0.000357      0.001408  6.281093e-03        True native_MD        39        83
   CA_TTR_6  O1_TTR_11     1 4.506854e-04 4.978846e-07 ; 0.321521  1.019902e-01     0.007127        0.000252      0.001408  6.281320e-03        True native_MD        39        84
   CA_TTR_6  O2_TTR_11     1 4.506854e-04 4.978846e-07 ; 0.321521  1.019902e-01     0.007127        0.000252      0.001408  6.281320e-03        True native_MD        39        85
-  CB_TTR_6   CB_TTR_6     1 6.229214e-03 3.238903e-05 ; 0.416224  2.995081e-01     0.988699        0.000077      0.004451  9.017767e-03       False fibril_MD        40        40
-  CB_TTR_6   CG_TTR_6     1 4.778555e-03 1.936210e-05 ; 0.399279  2.948362e-01     0.999340        0.000461      0.004451  8.099766e-03       False fibril_MD        40        41
-  CB_TTR_6  CD1_TTR_6     1 2.454945e-03 4.976961e-06 ; 0.355757  3.027327e-01     0.951854        0.000581      0.004451  9.945019e-03       False fibril_MD        40        42
-  CB_TTR_6  CD2_TTR_6     1 2.454945e-03 4.976961e-06 ; 0.355757  3.027327e-01     0.951854        0.000581      0.004451  9.945019e-03       False fibril_MD        40        43
-  CB_TTR_6    C_TTR_6     1 1.024239e-02 9.022856e-05 ; 0.454455  2.906688e-01     0.720720        0.000007      0.004451  9.945448e-03       False fibril_MD        40        44
-  CB_TTR_6    O_TTR_6     1 3.696871e-03 1.137379e-05 ; 0.381369  3.004024e-01     0.902009        0.000026      0.004451  9.945599e-03       False fibril_MD        40        45
-  CB_TTR_6    N_TTR_7     1 6.632040e-03 4.061674e-05 ; 0.427737  2.707255e-01     0.455086        0.000004      0.004451  9.945528e-03       False fibril_MD        40        46
-  CB_TTR_6   CA_TTR_7     1 1.420863e-02 2.984986e-04 ; 0.525289  1.690839e-01     0.275909        0.000061      0.004451  2.411251e-04       False fibril_MD        40        47
-  CB_TTR_6   CB_TTR_7     1 6.228370e-03 8.695675e-05 ; 0.490706  1.115284e-01     0.025099        0.000115      0.004451  2.411251e-04       False fibril_MD        40        48
-  CB_TTR_6   CG_TTR_7     1 5.454430e-03 3.802681e-05 ; 0.437076  1.955910e-01     0.983667        0.000285      0.004451  2.411251e-04       False fibril_MD        40        49
-  CB_TTR_6  CD1_TTR_7     1 2.276105e-03 6.584073e-06 ; 0.377471  1.967116e-01     0.983656        0.000272      0.004451  2.411251e-04       False fibril_MD        40        50
-  CB_TTR_6  CD2_TTR_7     1 2.276105e-03 6.584073e-06 ; 0.377471  1.967116e-01     0.983656        0.000272      0.004451  2.411251e-04       False fibril_MD        40        51
-  CB_TTR_6    C_TTR_7     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.002092        0.000012      0.004451  2.411251e-04       False fibril_MD        40        52
-  CB_TTR_6    O_TTR_7     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.004279        0.000018      0.004451  2.411251e-04       False fibril_MD        40        53
-  CB_TTR_6    N_TTR_8     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000018      0.004451  2.411251e-04       False fibril_MD        40        54
-  CB_TTR_6   CA_TTR_8     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000000        0.000168      0.004451  2.411251e-04       False fibril_MD        40        55
-  CB_TTR_6   CB_TTR_8     1 0.000000e+00 1.543890e-05 ; 0.397239 -1.543890e-05     0.000000        0.000351      0.004451  2.411251e-04       False fibril_MD        40        56
-  CB_TTR_6   OG_TTR_8     1 0.000000e+00 2.783506e-06 ; 0.344389 -2.783506e-06     0.000164        0.000217      0.004451  2.411251e-04       False fibril_MD        40        57
-  CB_TTR_6    C_TTR_8     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000021      0.004451  2.411251e-04       False fibril_MD        40        58
-  CB_TTR_6    O_TTR_8     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000025      0.004451  2.411251e-04       False fibril_MD        40        59
+  CB_TTR_6   CB_TTR_6     1 6.229214e-03 3.238903e-05 ; 0.416224  2.995081e-01     0.988699        0.000552      0.004451  9.017767e-03       False fibril_MD        40        40
+  CB_TTR_6   CG_TTR_6     1 4.778555e-03 1.936210e-05 ; 0.399279  2.948362e-01     0.999340        0.002061      0.004451  8.099766e-03       False fibril_MD        40        41
+  CB_TTR_6  CD1_TTR_6     1 2.454945e-03 4.976961e-06 ; 0.355757  3.027327e-01     0.951854        0.002136      0.004451  9.945019e-03       False fibril_MD        40        42
+  CB_TTR_6  CD2_TTR_6     1 2.454945e-03 4.976961e-06 ; 0.355757  3.027327e-01     0.951854        0.002136      0.004451  9.945019e-03       False fibril_MD        40        43
+  CB_TTR_6    C_TTR_6     1 1.024239e-02 9.022856e-05 ; 0.454455  2.906688e-01     0.720720        0.000269      0.004451  9.945448e-03       False fibril_MD        40        44
+  CB_TTR_6    O_TTR_6     1 3.696871e-03 1.137379e-05 ; 0.381369  3.004024e-01     0.902009        0.000451      0.004451  9.945599e-03       False fibril_MD        40        45
+  CB_TTR_6    N_TTR_7     1 6.632040e-03 4.061674e-05 ; 0.427737  2.707255e-01     0.455086        0.000129      0.004451  9.945528e-03       False fibril_MD        40        46
+  CB_TTR_6   CA_TTR_7     1 1.110295e-02 2.332536e-04 ; 0.525289  1.321260e-01     0.275909        0.001124      0.004451  2.411251e-04       False fibril_MD        40        47
+  CB_TTR_6   CB_TTR_7     1 4.043600e-03 5.645431e-05 ; 0.490706  7.240680e-02     0.025099        0.001230      0.004451  2.411251e-04       False fibril_MD        40        48
+  CB_TTR_6   CG_TTR_7     1 3.994357e-03 2.784758e-05 ; 0.437076  1.432341e-01     0.983667        0.002523      0.004451  2.411251e-04       False fibril_MD        40        49
+  CB_TTR_6  CD1_TTR_7     1 1.701769e-03 4.922695e-06 ; 0.377471  1.470748e-01     0.983656        0.002150      0.004451  2.411251e-04       False fibril_MD        40        50
+  CB_TTR_6  CD2_TTR_7     1 1.701769e-03 4.922695e-06 ; 0.377471  1.470748e-01     0.983656        0.002150      0.004451  2.411251e-04       False fibril_MD        40        51
+  CB_TTR_6    C_TTR_7     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.002092        0.000356      0.004451  2.411251e-04       False fibril_MD        40        52
+  CB_TTR_6    O_TTR_7     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.004279        0.000461      0.004451  2.411251e-04       False fibril_MD        40        53
+  CB_TTR_6    N_TTR_8     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000224      0.004451  2.411251e-04       False fibril_MD        40        54
+  CB_TTR_6   CA_TTR_8     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000000        0.001550      0.004451  2.411251e-04       False fibril_MD        40        55
+  CB_TTR_6   CB_TTR_8     1 0.000000e+00 1.543890e-05 ; 0.397239 -1.543890e-05     0.000000        0.002156      0.004451  2.411251e-04       False fibril_MD        40        56
+  CB_TTR_6   OG_TTR_8     1 0.000000e+00 2.783506e-06 ; 0.344389 -2.783506e-06     0.000164        0.001366      0.004451  2.411251e-04       False fibril_MD        40        57
+  CB_TTR_6    C_TTR_8     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000246      0.004451  2.411251e-04       False fibril_MD        40        58
+  CB_TTR_6    O_TTR_8     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000289      0.004451  2.411251e-04       False fibril_MD        40        59
   CB_TTR_6   CB_TTR_9     1 1.245035e-03 4.274146e-06 ; 0.388399  9.066795e-02     0.003998        0.004868      0.001408  6.402095e-03        True native_MD        40        62
   CB_TTR_6   CG_TTR_9     1 1.261129e-03 4.697643e-06 ; 0.393719  8.464070e-02     0.002949        0.006032      0.001408  6.402095e-03        True native_MD        40        63
   CB_TTR_6  CA_TTR_11     1 3.385994e-03 2.242156e-05 ; 0.433341  1.278341e-01     0.029462        0.002757      0.001408  5.203740e-03        True native_MD        40        80
@@ -1608,47 +1608,47 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
   CB_TTR_6  OG_TTR_11     1 5.902364e-04 6.738336e-07 ; 0.323287  1.292526e-01     0.025189        0.002773      0.001408  7.688490e-03        True native_MD        40        82
   CB_TTR_6  O1_TTR_11     1 3.776950e-04 3.526751e-07 ; 0.312636  1.011225e-01     0.006405        0.000364      0.001408  7.688572e-03        True native_MD        40        84
   CB_TTR_6  O2_TTR_11     1 3.776950e-04 3.526751e-07 ; 0.312636  1.011225e-01     0.006405        0.000364      0.001408  7.688572e-03        True native_MD        40        85
-  CG_TTR_6   CG_TTR_6     1 6.657177e-03 3.822767e-05 ; 0.423170  2.898293e-01     0.995824        0.000762      0.004451  7.281617e-03       False fibril_MD        41        41
-  CG_TTR_6  CD1_TTR_6     1 3.569337e-03 1.072295e-05 ; 0.379858  2.970305e-01     0.943501        0.000902      0.004451  8.926588e-03       False fibril_MD        41        42
-  CG_TTR_6  CD2_TTR_6     1 3.569337e-03 1.072295e-05 ; 0.379858  2.970305e-01     0.943501        0.000902      0.004451  8.926588e-03       False fibril_MD        41        43
-  CG_TTR_6    C_TTR_6     1 9.290119e-03 7.388029e-05 ; 0.446771  2.920478e-01     0.838815        0.000076      0.004451  8.926971e-03       False fibril_MD        41        44
-  CG_TTR_6    O_TTR_6     1 1.781888e-03 4.007974e-06 ; 0.361971  1.980505e-01     0.922009        0.000123      0.004451  2.411251e-04       False fibril_MD        41        45
-  CG_TTR_6    N_TTR_7     1 5.211119e-03 4.212671e-05 ; 0.447993  1.611552e-01     0.198310        0.000036      0.004451  2.411251e-04       False fibril_MD        41        46
-  CG_TTR_6   CA_TTR_7     1 1.906558e-02 5.220282e-04 ; 0.549002  1.740789e-01     0.462115        0.000328      0.004451  2.411251e-04       False fibril_MD        41        47
-  CG_TTR_6   CB_TTR_7     1 5.252872e-03 5.772926e-05 ; 0.471520  1.194917e-01     0.057142        0.000394      0.004451  2.411251e-04       False fibril_MD        41        48
-  CG_TTR_6   CG_TTR_7     1 9.424132e-03 1.353859e-04 ; 0.493047  1.640021e-01     0.979680        0.001058      0.004451  2.411251e-04       False fibril_MD        41        49
-  CG_TTR_6  CD1_TTR_7     1 3.411579e-03 1.785193e-05 ; 0.416666  1.629918e-01     0.973049        0.001096      0.004451  2.411251e-04       False fibril_MD        41        50
-  CG_TTR_6  CD2_TTR_7     1 3.411579e-03 1.785193e-05 ; 0.416666  1.629918e-01     0.973049        0.001096      0.004451  2.411251e-04       False fibril_MD        41        51
-  CG_TTR_6    C_TTR_7     1 6.229034e-03 7.281362e-05 ; 0.476393  1.332198e-01     0.061948        0.000094      0.004451  2.411251e-04       False fibril_MD        41        52
-  CG_TTR_6    O_TTR_7     1 2.629988e-03 1.187714e-05 ; 0.406562  1.455913e-01     0.103708        0.000156      0.004451  2.411251e-04       False fibril_MD        41        53
-  CG_TTR_6    N_TTR_8     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000356        0.000074      0.004451  2.411251e-04       False fibril_MD        41        54
-  CG_TTR_6   CA_TTR_8     1 1.078613e-02 3.270779e-04 ; 0.558424  8.892424e-02     0.031100        0.000766      0.004451  2.411251e-04       False fibril_MD        41        55
-  CG_TTR_6   CB_TTR_8     1 6.693048e-03 1.374569e-04 ; 0.523308  8.147443e-02     0.032955        0.001107      0.004451  2.411251e-04       False fibril_MD        41        56
-  CG_TTR_6   OG_TTR_8     1 3.209425e-03 2.037949e-05 ; 0.430323  1.263575e-01     0.115826        0.000600      0.004451  2.411251e-04       False fibril_MD        41        57
-  CG_TTR_6    C_TTR_8     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000123      0.004451  2.411251e-04       False fibril_MD        41        58
-  CG_TTR_6    O_TTR_8     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000128      0.004451  2.411251e-04       False fibril_MD        41        59
+  CG_TTR_6   CG_TTR_6     1 6.657177e-03 3.822767e-05 ; 0.423170  2.898293e-01     0.995824        0.002597      0.004451  7.281617e-03       False fibril_MD        41        41
+  CG_TTR_6  CD1_TTR_6     1 3.569337e-03 1.072295e-05 ; 0.379858  2.970305e-01     0.943501        0.002953      0.004451  8.926588e-03       False fibril_MD        41        42
+  CG_TTR_6  CD2_TTR_6     1 3.569337e-03 1.072295e-05 ; 0.379858  2.970305e-01     0.943501        0.002953      0.004451  8.926588e-03       False fibril_MD        41        43
+  CG_TTR_6    C_TTR_6     1 9.290119e-03 7.388029e-05 ; 0.446771  2.920478e-01     0.838815        0.000940      0.004451  8.926971e-03       False fibril_MD        41        44
+  CG_TTR_6    O_TTR_6     1 1.431846e-03 3.220629e-06 ; 0.361971  1.591445e-01     0.922009        0.001219      0.004451  2.411251e-04       False fibril_MD        41        45
+  CG_TTR_6    N_TTR_7     1 4.785853e-03 3.868887e-05 ; 0.447993  1.480038e-01     0.198310        0.000417      0.004451  2.411251e-04       False fibril_MD        41        46
+  CG_TTR_6   CA_TTR_7     1 1.331297e-02 3.645178e-04 ; 0.549002  1.215545e-01     0.462115        0.002924      0.004451  2.411251e-04       False fibril_MD        41        47
+  CG_TTR_6   CB_TTR_7     1 3.285569e-03 3.610853e-05 ; 0.471520  7.473971e-02     0.057142        0.002541      0.004451  2.411251e-04       False fibril_MD        41        48
+  CG_TTR_6   CG_TTR_7     1 7.249555e-03 1.041462e-04 ; 0.493047  1.261593e-01     0.979680        0.005117      0.004451  2.411251e-04       False fibril_MD        41        49
+  CG_TTR_6  CD1_TTR_7     1 2.735153e-03 1.431236e-05 ; 0.416666  1.306748e-01     0.973049        0.004211      0.004451  2.411251e-04       False fibril_MD        41        50
+  CG_TTR_6  CD2_TTR_7     1 2.735153e-03 1.431236e-05 ; 0.416666  1.306748e-01     0.973049        0.004211      0.004451  2.411251e-04       False fibril_MD        41        51
+  CG_TTR_6    C_TTR_7     1 4.545801e-03 5.313765e-05 ; 0.476393  9.722064e-02     0.061948        0.001080      0.004451  2.411251e-04       False fibril_MD        41        52
+  CG_TTR_6    O_TTR_7     1 1.944977e-03 8.783606e-06 ; 0.406562  1.076704e-01     0.103708        0.001170      0.004451  2.411251e-04       False fibril_MD        41        53
+  CG_TTR_6    N_TTR_8     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000356        0.000621      0.004451  2.411251e-04       False fibril_MD        41        54
+  CG_TTR_6   CA_TTR_8     1 0.000000e+00 1.311115e-03 ; 0.575179 -1.311115e-03     0.031100        0.003574      0.004451  2.411251e-04       False fibril_MD        41        55
+  CG_TTR_6   CB_TTR_8     1 0.000000e+00 6.362731e-04 ; 0.541548 -6.362731e-04     0.032955        0.003890      0.004451  2.411251e-04       False fibril_MD        41        56
+  CG_TTR_6   OG_TTR_8     1 2.364291e-03 1.501298e-05 ; 0.430323  9.308395e-02     0.115826        0.002399      0.004451  2.411251e-04       False fibril_MD        41        57
+  CG_TTR_6    C_TTR_8     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000803      0.004451  2.411251e-04       False fibril_MD        41        58
+  CG_TTR_6    O_TTR_8     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000831      0.004451  2.411251e-04       False fibril_MD        41        59
   CG_TTR_6  OG_TTR_11     1 1.220086e-03 2.994544e-06 ; 0.367274  1.242768e-01     0.022063        0.004127      0.001408  6.281250e-03        True native_MD        41        82
   CG_TTR_6   C_TTR_11     1 2.358811e-03 1.209232e-05 ; 0.415243  1.150314e-01     0.013807        0.001393      0.001408  6.281093e-03        True native_MD        41        83
   CG_TTR_6  O1_TTR_11     1 7.101418e-04 1.189696e-06 ; 0.344626  1.059727e-01     0.008722        0.000932      0.001408  6.281320e-03        True native_MD        41        84
   CG_TTR_6  O2_TTR_11     1 7.101418e-04 1.189696e-06 ; 0.344626  1.059727e-01     0.008722        0.000932      0.001408  6.281320e-03        True native_MD        41        85
- CD1_TTR_6  CD1_TTR_6     1 2.109572e-03 3.643526e-06 ; 0.346381  3.053562e-01     0.900660        0.001079      0.004451  1.097310e-02       False fibril_MD        42        42
- CD1_TTR_6  CD2_TTR_6     1 2.109572e-03 3.643526e-06 ; 0.346381  3.053562e-01     0.900660        0.001079      0.004451  1.097310e-02       False fibril_MD        42        43
- CD1_TTR_6    C_TTR_6     1 2.730435e-03 1.030443e-05 ; 0.394577  1.808754e-01     0.450878        0.000156      0.004451  2.411251e-04       False fibril_MD        42        44
- CD1_TTR_6    O_TTR_6     1 8.104879e-04 9.022376e-07 ; 0.321931  1.820171e-01     0.472836        0.000188      0.004451  2.411251e-04       False fibril_MD        42        45
- CD1_TTR_6    N_TTR_7     1 1.455700e-03 4.128565e-06 ; 0.376231  1.283171e-01     0.050506        0.000057      0.004451  2.411251e-04       False fibril_MD        42        46
- CD1_TTR_6   CA_TTR_7     1 7.406013e-03 8.490291e-05 ; 0.474850  1.615051e-01     0.271216        0.000325      0.004451  2.411251e-04       False fibril_MD        42        47
- CD1_TTR_6   CB_TTR_7     1 1.989467e-03 8.063116e-06 ; 0.399295  1.227186e-01     0.078302        0.000472      0.004451  2.411251e-04       False fibril_MD        42        48
- CD1_TTR_6   CG_TTR_7     1 3.725516e-03 2.165359e-05 ; 0.424024  1.602444e-01     0.788655        0.000996      0.004451  2.411251e-04       False fibril_MD        42        49
- CD1_TTR_6  CD1_TTR_7     1 1.347967e-03 2.776784e-06 ; 0.356706  1.635899e-01     0.841947        0.000925      0.004451  2.411251e-04       False fibril_MD        42        50
- CD1_TTR_6  CD2_TTR_7     1 1.347967e-03 2.776784e-06 ; 0.356706  1.635899e-01     0.841947        0.000925      0.004451  2.411251e-04       False fibril_MD        42        51
- CD1_TTR_6    C_TTR_7     1 1.776727e-03 6.791978e-06 ; 0.395424  1.161944e-01     0.030483        0.000173      0.004451  2.411251e-04       False fibril_MD        42        52
- CD1_TTR_6    O_TTR_7     1 5.371595e-04 6.152293e-07 ; 0.323461  1.172491e-01     0.031852        0.000224      0.004451  2.411251e-04       False fibril_MD        42        53
- CD1_TTR_6    N_TTR_8     1 2.290561e-03 1.282465e-05 ; 0.421390  1.022770e-01     0.017073        0.000117      0.004451  2.411251e-04       False fibril_MD        42        54
- CD1_TTR_6   CA_TTR_8     1 4.957227e-03 6.499278e-05 ; 0.485591  9.452627e-02     0.043631        0.000851      0.004451  2.411251e-04       False fibril_MD        42        55
- CD1_TTR_6   CB_TTR_8     1 3.413860e-03 2.843964e-05 ; 0.450242  1.024489e-01     0.075094        0.001053      0.004451  2.411251e-04       False fibril_MD        42        56
- CD1_TTR_6   OG_TTR_8     1 5.051250e-04 6.128484e-07 ; 0.326582  1.040842e-01     0.047713        0.000625      0.004451  2.411251e-04       False fibril_MD        42        57
- CD1_TTR_6    C_TTR_8     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000243      0.004451  2.411251e-04       False fibril_MD        42        58
- CD1_TTR_6    O_TTR_8     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000000        0.000185      0.004451  2.411251e-04       False fibril_MD        42        59
+ CD1_TTR_6  CD1_TTR_6     1 2.109572e-03 3.643526e-06 ; 0.346381  3.053562e-01     0.900660        0.002881      0.004451  1.097310e-02       False fibril_MD        42        42
+ CD1_TTR_6  CD2_TTR_6     1 2.109572e-03 3.643526e-06 ; 0.346381  3.053562e-01     0.900660        0.002881      0.004451  1.097310e-02       False fibril_MD        42        43
+ CD1_TTR_6    C_TTR_6     1 2.172530e-03 8.198949e-06 ; 0.394577  1.439175e-01     0.450878        0.001124      0.004451  2.411251e-04       False fibril_MD        42        44
+ CD1_TTR_6    O_TTR_6     1 6.384819e-04 7.107601e-07 ; 0.321931  1.433885e-01     0.472836        0.001205      0.004451  2.411251e-04       False fibril_MD        42        45
+ CD1_TTR_6    N_TTR_7     1 1.181030e-03 3.349563e-06 ; 0.376231  1.041055e-01     0.050506        0.000661      0.004451  2.411251e-04       False fibril_MD        42        46
+ CD1_TTR_6   CA_TTR_7     1 5.120866e-03 5.870587e-05 ; 0.474850  1.116722e-01     0.271216        0.002590      0.004451  2.411251e-04       False fibril_MD        42        47
+ CD1_TTR_6   CB_TTR_7     1 1.368012e-03 5.544421e-06 ; 0.399295  8.438470e-02     0.078302        0.002330      0.004451  2.411251e-04       False fibril_MD        42        48
+ CD1_TTR_6   CG_TTR_7     1 2.940610e-03 1.709153e-05 ; 0.424024  1.264835e-01     0.788655        0.004064      0.004451  2.411251e-04       False fibril_MD        42        49
+ CD1_TTR_6  CD1_TTR_7     1 1.096167e-03 2.258082e-06 ; 0.356706  1.330314e-01     0.841947        0.003303      0.004451  2.411251e-04       False fibril_MD        42        50
+ CD1_TTR_6  CD2_TTR_7     1 1.096167e-03 2.258082e-06 ; 0.356706  1.330314e-01     0.841947        0.003303      0.004451  2.411251e-04       False fibril_MD        42        51
+ CD1_TTR_6    C_TTR_7     1 1.181516e-03 4.516636e-06 ; 0.395424  7.726874e-02     0.030483        0.001220      0.004451  2.411251e-04       False fibril_MD        42        52
+ CD1_TTR_6    O_TTR_7     1 3.633365e-04 4.161431e-07 ; 0.323461  7.930768e-02     0.031852        0.001171      0.004451  2.411251e-04       False fibril_MD        42        53
+ CD1_TTR_6    N_TTR_8     1 1.682559e-03 9.420504e-06 ; 0.421390  7.512882e-02     0.017073        0.000747      0.004451  2.411251e-04       False fibril_MD        42        54
+ CD1_TTR_6   CA_TTR_8     1 5.090606e-03 6.870169e-05 ; 0.487940  9.429998e-02     0.152114        0.002995      0.004451  2.411251e-04       False fibril_MD        42        55
+ CD1_TTR_6   CB_TTR_8     1 2.501444e-03 2.083863e-05 ; 0.450242  7.506759e-02     0.075094        0.003294      0.004451  2.411251e-04       False fibril_MD        42        56
+ CD1_TTR_6   OG_TTR_8     1 3.645253e-04 4.422643e-07 ; 0.326582  7.511273e-02     0.047713        0.002089      0.004451  2.411251e-04       False fibril_MD        42        57
+ CD1_TTR_6    C_TTR_8     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.001027      0.004451  2.411251e-04       False fibril_MD        42        58
+ CD1_TTR_6    O_TTR_8     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000000        0.000861      0.004451  2.411251e-04       False fibril_MD        42        59
  CD1_TTR_6   CB_TTR_9     1 1.121413e-03 3.466757e-06 ; 0.381674  9.068750e-02     0.003854        0.004452      0.001408  7.686516e-03        True native_MD        42        62
  CD1_TTR_6   CG_TTR_9     1 1.051450e-03 3.066457e-06 ; 0.377985  9.013219e-02     0.003751        0.006630      0.001408  7.686516e-03        True native_MD        42        63
  CD1_TTR_6   N_TTR_10     1 5.955715e-04 8.267397e-07 ; 0.333994  1.072603e-01     0.008081        0.003431      0.001408  9.186876e-03        True native_MD        42        67
@@ -1663,23 +1663,23 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
  CD1_TTR_6   C_TTR_11     1 7.339366e-04 1.122197e-06 ; 0.339418  1.200019e-01     0.014688        0.002132      0.001408  9.186744e-03        True native_MD        42        83
  CD1_TTR_6  O1_TTR_11     1 3.086991e-04 2.205263e-07 ; 0.298988  1.080315e-01     0.008378        0.001350      0.001408  9.187057e-03        True native_MD        42        84
  CD1_TTR_6  O2_TTR_11     1 3.086991e-04 2.205263e-07 ; 0.298988  1.080315e-01     0.008378        0.001350      0.001408  9.187057e-03        True native_MD        42        85
- CD2_TTR_6  CD2_TTR_6     1 2.109572e-03 3.643526e-06 ; 0.346381  3.053562e-01     0.900660        0.001079      0.004451  1.097310e-02       False fibril_MD        43        43
- CD2_TTR_6    C_TTR_6     1 2.730435e-03 1.030443e-05 ; 0.394577  1.808754e-01     0.450878        0.000156      0.004451  2.411251e-04       False fibril_MD        43        44
- CD2_TTR_6    O_TTR_6     1 8.104879e-04 9.022376e-07 ; 0.321931  1.820171e-01     0.472836        0.000188      0.004451  2.411251e-04       False fibril_MD        43        45
- CD2_TTR_6    N_TTR_7     1 1.455700e-03 4.128565e-06 ; 0.376231  1.283171e-01     0.050506        0.000057      0.004451  2.411251e-04       False fibril_MD        43        46
- CD2_TTR_6   CA_TTR_7     1 7.406013e-03 8.490291e-05 ; 0.474850  1.615051e-01     0.271216        0.000325      0.004451  2.411251e-04       False fibril_MD        43        47
- CD2_TTR_6   CB_TTR_7     1 1.989467e-03 8.063116e-06 ; 0.399295  1.227186e-01     0.078302        0.000472      0.004451  2.411251e-04       False fibril_MD        43        48
- CD2_TTR_6   CG_TTR_7     1 3.725516e-03 2.165359e-05 ; 0.424024  1.602444e-01     0.788655        0.000996      0.004451  2.411251e-04       False fibril_MD        43        49
- CD2_TTR_6  CD1_TTR_7     1 1.347967e-03 2.776784e-06 ; 0.356706  1.635899e-01     0.841947        0.000925      0.004451  2.411251e-04       False fibril_MD        43        50
- CD2_TTR_6  CD2_TTR_7     1 1.347967e-03 2.776784e-06 ; 0.356706  1.635899e-01     0.841947        0.000925      0.004451  2.411251e-04       False fibril_MD        43        51
- CD2_TTR_6    C_TTR_7     1 1.776727e-03 6.791978e-06 ; 0.395424  1.161944e-01     0.030483        0.000173      0.004451  2.411251e-04       False fibril_MD        43        52
- CD2_TTR_6    O_TTR_7     1 5.371595e-04 6.152293e-07 ; 0.323461  1.172491e-01     0.031852        0.000224      0.004451  2.411251e-04       False fibril_MD        43        53
- CD2_TTR_6    N_TTR_8     1 2.290561e-03 1.282465e-05 ; 0.421390  1.022770e-01     0.017073        0.000117      0.004451  2.411251e-04       False fibril_MD        43        54
- CD2_TTR_6   CA_TTR_8     1 4.957227e-03 6.499278e-05 ; 0.485591  9.452627e-02     0.043631        0.000851      0.004451  2.411251e-04       False fibril_MD        43        55
- CD2_TTR_6   CB_TTR_8     1 3.413860e-03 2.843964e-05 ; 0.450242  1.024489e-01     0.075094        0.001053      0.004451  2.411251e-04       False fibril_MD        43        56
- CD2_TTR_6   OG_TTR_8     1 5.051250e-04 6.128484e-07 ; 0.326582  1.040842e-01     0.047713        0.000625      0.004451  2.411251e-04       False fibril_MD        43        57
- CD2_TTR_6    C_TTR_8     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000163      0.004451  2.411251e-04       False fibril_MD        43        58
- CD2_TTR_6    O_TTR_8     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000000        0.000136      0.004451  2.411251e-04       False fibril_MD        43        59
+ CD2_TTR_6  CD2_TTR_6     1 2.109572e-03 3.643526e-06 ; 0.346381  3.053562e-01     0.900660        0.002881      0.004451  1.097310e-02       False fibril_MD        43        43
+ CD2_TTR_6    C_TTR_6     1 2.172530e-03 8.198949e-06 ; 0.394577  1.439175e-01     0.450878        0.001124      0.004451  2.411251e-04       False fibril_MD        43        44
+ CD2_TTR_6    O_TTR_6     1 6.384819e-04 7.107601e-07 ; 0.321931  1.433885e-01     0.472836        0.001205      0.004451  2.411251e-04       False fibril_MD        43        45
+ CD2_TTR_6    N_TTR_7     1 1.181030e-03 3.349563e-06 ; 0.376231  1.041055e-01     0.050506        0.000661      0.004451  2.411251e-04       False fibril_MD        43        46
+ CD2_TTR_6   CA_TTR_7     1 5.120866e-03 5.870587e-05 ; 0.474850  1.116722e-01     0.271216        0.002590      0.004451  2.411251e-04       False fibril_MD        43        47
+ CD2_TTR_6   CB_TTR_7     1 1.368012e-03 5.544421e-06 ; 0.399295  8.438470e-02     0.078302        0.002330      0.004451  2.411251e-04       False fibril_MD        43        48
+ CD2_TTR_6   CG_TTR_7     1 2.940610e-03 1.709153e-05 ; 0.424024  1.264835e-01     0.788655        0.004064      0.004451  2.411251e-04       False fibril_MD        43        49
+ CD2_TTR_6  CD1_TTR_7     1 1.096167e-03 2.258082e-06 ; 0.356706  1.330314e-01     0.841947        0.003303      0.004451  2.411251e-04       False fibril_MD        43        50
+ CD2_TTR_6  CD2_TTR_7     1 1.096167e-03 2.258082e-06 ; 0.356706  1.330314e-01     0.841947        0.003303      0.004451  2.411251e-04       False fibril_MD        43        51
+ CD2_TTR_6    C_TTR_7     1 1.181516e-03 4.516636e-06 ; 0.395424  7.726874e-02     0.030483        0.001220      0.004451  2.411251e-04       False fibril_MD        43        52
+ CD2_TTR_6    O_TTR_7     1 3.633365e-04 4.161431e-07 ; 0.323461  7.930768e-02     0.031852        0.001171      0.004451  2.411251e-04       False fibril_MD        43        53
+ CD2_TTR_6    N_TTR_8     1 1.682559e-03 9.420504e-06 ; 0.421390  7.512882e-02     0.017073        0.000747      0.004451  2.411251e-04       False fibril_MD        43        54
+ CD2_TTR_6   CA_TTR_8     1 5.090606e-03 6.870169e-05 ; 0.487940  9.429998e-02     0.152114        0.002995      0.004451  2.411251e-04       False fibril_MD        43        55
+ CD2_TTR_6   CB_TTR_8     1 2.501444e-03 2.083863e-05 ; 0.450242  7.506759e-02     0.075094        0.003294      0.004451  2.411251e-04       False fibril_MD        43        56
+ CD2_TTR_6   OG_TTR_8     1 3.645253e-04 4.422643e-07 ; 0.326582  7.511273e-02     0.047713        0.002089      0.004451  2.411251e-04       False fibril_MD        43        57
+ CD2_TTR_6    C_TTR_8     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000000        0.000925      0.004451  2.411251e-04       False fibril_MD        43        58
+ CD2_TTR_6    O_TTR_8     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000000        0.000793      0.004451  2.411251e-04       False fibril_MD        43        59
  CD2_TTR_6   CB_TTR_9     1 1.121413e-03 3.466757e-06 ; 0.381674  9.068750e-02     0.003854        0.004452      0.001408  7.686516e-03        True native_MD        43        62
  CD2_TTR_6   CG_TTR_9     1 1.051450e-03 3.066457e-06 ; 0.377985  9.013219e-02     0.003751        0.006630      0.001408  7.686516e-03        True native_MD        43        63
  CD2_TTR_6   N_TTR_10     1 5.955715e-04 8.267397e-07 ; 0.333994  1.072603e-01     0.008081        0.003431      0.001408  9.186876e-03        True native_MD        43        67
@@ -1694,41 +1694,41 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
  CD2_TTR_6   C_TTR_11     1 7.339366e-04 1.122197e-06 ; 0.339418  1.200019e-01     0.014688        0.002132      0.001408  9.186744e-03        True native_MD        43        83
  CD2_TTR_6  O1_TTR_11     1 3.086991e-04 2.205263e-07 ; 0.298988  1.080315e-01     0.008378        0.001350      0.001408  9.187057e-03        True native_MD        43        84
  CD2_TTR_6  O2_TTR_11     1 3.086991e-04 2.205263e-07 ; 0.298988  1.080315e-01     0.008378        0.001350      0.001408  9.187057e-03        True native_MD        43        85
-   C_TTR_6    C_TTR_6     1 7.186868e-03 4.245892e-05 ; 0.425179  3.041238e-01     0.875873        0.000000      0.004451  1.097406e-02       False fibril_MD        44        44
-   C_TTR_6    O_TTR_6     1 1.377816e-03 1.530964e-06 ; 0.321832  3.099969e-01     0.999951        0.000000      0.004451  1.097422e-02       False fibril_MD        44        45
-   C_TTR_6    N_TTR_7     1 2.599171e-03 5.448803e-06 ; 0.357748  3.099622e-01     0.999177        0.000000      0.004451  1.097414e-02       False fibril_MD        44        46
-   C_TTR_6   CA_TTR_7     1 8.044047e-03 5.402262e-05 ; 0.434360  2.994426e-01     0.998704        0.000010      0.004451  8.926971e-03       False fibril_MD        44        47
-   C_TTR_6   CB_TTR_7     1 7.434514e-03 4.597698e-05 ; 0.428431  3.005417e-01     0.904926        0.000020      0.004451  9.945448e-03       False fibril_MD        44        48
-   C_TTR_6   CG_TTR_7     1 7.606234e-03 7.840011e-05 ; 0.466507  1.844857e-01     0.524041        0.000039      0.004451  2.411251e-04       False fibril_MD        44        49
-   C_TTR_6  CD1_TTR_7     1 2.255720e-03 1.023296e-05 ; 0.406867  1.243109e-01     0.042744        0.000085      0.004451  2.411251e-04       False fibril_MD        44        50
-   C_TTR_6  CD2_TTR_7     1 2.255720e-03 1.023296e-05 ; 0.406867  1.243109e-01     0.042744        0.000085      0.004451  2.411251e-04       False fibril_MD        44        51
-   C_TTR_6    C_TTR_7     1 7.064416e-03 4.298274e-05 ; 0.427271  2.902675e-01     0.640729        0.000000      0.004451  1.097406e-02       False fibril_MD        44        52
-   C_TTR_6    O_TTR_7     1 1.901656e-03 4.565731e-06 ; 0.365929  1.980130e-01     0.920570        0.000000      0.004451  2.411251e-04       False fibril_MD        44        53
-   C_TTR_6    N_TTR_8     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        44        54
-   C_TTR_6   CA_TTR_8     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000031        0.000020      0.004451  2.411251e-04       False fibril_MD        44        55
-   C_TTR_6   CB_TTR_8     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000091      0.004451  2.411251e-04       False fibril_MD        44        56
-   C_TTR_6   OG_TTR_8     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.001031        0.000043      0.004451  2.411251e-04       False fibril_MD        44        57
-   C_TTR_6    C_TTR_8     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        44        58
-   C_TTR_6    O_TTR_8     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        44        59
+   C_TTR_6    C_TTR_6     1 7.186868e-03 4.245892e-05 ; 0.425179  3.041238e-01     0.875873        0.000011      0.004451  1.097406e-02       False fibril_MD        44        44
+   C_TTR_6    O_TTR_6     1 1.377816e-03 1.530964e-06 ; 0.321832  3.099969e-01     0.999951        0.000065      0.004451  1.097422e-02       False fibril_MD        44        45
+   C_TTR_6    N_TTR_7     1 2.599171e-03 5.448803e-06 ; 0.357748  3.099622e-01     0.999177        0.000009      0.004451  1.097414e-02       False fibril_MD        44        46
+   C_TTR_6   CA_TTR_7     1 8.044047e-03 5.402262e-05 ; 0.434360  2.994426e-01     0.998704        0.000182      0.004451  8.926971e-03       False fibril_MD        44        47
+   C_TTR_6   CB_TTR_7     1 7.434514e-03 4.597698e-05 ; 0.428431  3.005417e-01     0.904926        0.000302      0.004451  9.945448e-03       False fibril_MD        44        48
+   C_TTR_6   CG_TTR_7     1 6.282884e-03 6.475988e-05 ; 0.466507  1.523885e-01     0.524041        0.000918      0.004451  2.411251e-04       False fibril_MD        44        49
+   C_TTR_6  CD1_TTR_7     1 1.647492e-03 7.473767e-06 ; 0.406867  9.079194e-02     0.042744        0.000974      0.004451  2.411251e-04       False fibril_MD        44        50
+   C_TTR_6  CD2_TTR_7     1 1.647492e-03 7.473767e-06 ; 0.406867  9.079194e-02     0.042744        0.000974      0.004451  2.411251e-04       False fibril_MD        44        51
+   C_TTR_6    C_TTR_7     1 7.064416e-03 4.298274e-05 ; 0.427271  2.902675e-01     0.640729        0.000022      0.004451  1.097406e-02       False fibril_MD        44        52
+   C_TTR_6    O_TTR_7     1 1.901656e-03 4.565731e-06 ; 0.365929  1.980130e-01     0.920570        0.000076      0.004451  2.411251e-04       False fibril_MD        44        53
+   C_TTR_6    N_TTR_8     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000027      0.004451  2.411251e-04       False fibril_MD        44        54
+   C_TTR_6   CA_TTR_8     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000031        0.000382      0.004451  2.411251e-04       False fibril_MD        44        55
+   C_TTR_6   CB_TTR_8     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000987      0.004451  2.411251e-04       False fibril_MD        44        56
+   C_TTR_6   OG_TTR_8     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.001031        0.000685      0.004451  2.411251e-04       False fibril_MD        44        57
+   C_TTR_6    C_TTR_8     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000010      0.004451  2.411251e-04       False fibril_MD        44        58
+   C_TTR_6    O_TTR_8     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000033      0.004451  2.411251e-04       False fibril_MD        44        59
    C_TTR_6  OH_TTR_10     1 3.847925e-04 4.459507e-07 ; 0.324098  8.300541e-02     0.002591        0.004205      0.001408  9.187671e-03        True native_MD        44        76
    C_TTR_6  CB_TTR_11     1 1.055183e-03 2.057316e-06 ; 0.353451  1.352991e-01     0.033810        0.001287      0.001408  7.688303e-03        True native_MD        44        81
    C_TTR_6  OG_TTR_11     1 4.951424e-04 4.746262e-07 ; 0.314005  1.291363e-01     0.022542        0.000781      0.001408  9.187671e-03        True native_MD        44        82
    C_TTR_6  O1_TTR_11     1 2.018549e-04 1.174605e-07 ; 0.288941  8.672150e-02     0.003084        0.000025      0.001408  9.187767e-03        True native_MD        44        84
    C_TTR_6  O2_TTR_11     1 2.018549e-04 1.174605e-07 ; 0.288941  8.672150e-02     0.003084        0.000025      0.001408  9.187767e-03        True native_MD        44        85
-   O_TTR_6    O_TTR_6     1 4.850147e-03 2.976107e-05 ; 0.427874  1.976065e-01     0.905118        0.000020      0.004451  2.411251e-04       False fibril_MD        45        45
-   O_TTR_6    N_TTR_7     1 2.763496e-04 6.158810e-08 ; 0.246229  3.099994e-01     0.999998        0.000000      0.004451  1.097431e-02       False fibril_MD        45        46
-   O_TTR_6   CA_TTR_7     1 1.467377e-03 1.797338e-06 ; 0.327101  2.994979e-01     0.999991        0.000010      0.004451  8.927106e-03       False fibril_MD        45        47
-   O_TTR_6   CB_TTR_7     1 1.033179e-03 1.336189e-06 ; 0.330077  1.997208e-01     0.988439        0.000041      0.004451  2.411251e-04       False fibril_MD        45        48
-   O_TTR_6   CG_TTR_7     1 2.135686e-03 5.854059e-06 ; 0.374099  1.947860e-01     0.804794        0.000107      0.004451  2.411251e-04       False fibril_MD        45        49
-   O_TTR_6  CD1_TTR_7     1 4.424619e-04 4.260528e-07 ; 0.314242  1.148758e-01     0.028854        0.000107      0.004451  2.411251e-04       False fibril_MD        45        50
-   O_TTR_6  CD2_TTR_7     1 4.424619e-04 4.260528e-07 ; 0.314242  1.148758e-01     0.028854        0.000107      0.004451  2.411251e-04       False fibril_MD        45        51
-   O_TTR_6    C_TTR_7     1 1.313708e-03 2.159863e-06 ; 0.343548  1.997614e-01     0.990112        0.000000      0.004451  2.411251e-04       False fibril_MD        45        52
-   O_TTR_6    O_TTR_7     1 4.899223e-04 3.000299e-07 ; 0.291411  1.999999e-01     0.999997        0.000038      0.004451  2.411251e-04       False fibril_MD        45        53
-   O_TTR_6    N_TTR_8     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.001079        0.000005      0.004451  2.411251e-04       False fibril_MD        45        54
-   O_TTR_6   CA_TTR_8     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.003263        0.000043      0.004451  2.411251e-04       False fibril_MD        45        55
-   O_TTR_6   CB_TTR_8     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000037        0.000118      0.004451  2.411251e-04       False fibril_MD        45        56
-   O_TTR_6   OG_TTR_8     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.003363        0.000071      0.004451  2.411251e-04       False fibril_MD        45        57
-   O_TTR_6    C_TTR_8     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000001      0.004451  2.411251e-04       False fibril_MD        45        58
+   O_TTR_6    O_TTR_6     1 4.759963e-03 2.920769e-05 ; 0.427874  1.939322e-01     0.905118        0.000281      0.004451  2.411251e-04       False fibril_MD        45        45
+   O_TTR_6    N_TTR_7     1 2.763496e-04 6.158810e-08 ; 0.246229  3.099994e-01     0.999998        0.000057      0.004451  1.097431e-02       False fibril_MD        45        46
+   O_TTR_6   CA_TTR_7     1 1.467377e-03 1.797338e-06 ; 0.327101  2.994979e-01     0.999991        0.000333      0.004451  8.927106e-03       False fibril_MD        45        47
+   O_TTR_6   CB_TTR_7     1 9.479289e-04 1.225937e-06 ; 0.330077  1.832414e-01     0.988439        0.000479      0.004451  2.411251e-04       False fibril_MD        45        48
+   O_TTR_6   CG_TTR_7     1 1.715449e-03 4.702162e-06 ; 0.374099  1.564581e-01     0.804794        0.001190      0.004451  2.411251e-04       False fibril_MD        45        49
+   O_TTR_6  CD1_TTR_7     1 3.064987e-04 2.951319e-07 ; 0.314242  7.957584e-02     0.028854        0.001049      0.004451  2.411251e-04       False fibril_MD        45        50
+   O_TTR_6  CD2_TTR_7     1 3.064987e-04 2.951319e-07 ; 0.314242  7.957584e-02     0.028854        0.001049      0.004451  2.411251e-04       False fibril_MD        45        51
+   O_TTR_6    C_TTR_7     1 1.313708e-03 2.159863e-06 ; 0.343548  1.997614e-01     0.990112        0.000091      0.004451  2.411251e-04       False fibril_MD        45        52
+   O_TTR_6    O_TTR_7     1 4.415321e-04 2.703956e-07 ; 0.291411  1.802457e-01     0.999997        0.000549      0.004451  2.411251e-04       False fibril_MD        45        53
+   O_TTR_6    N_TTR_8     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.001079        0.000087      0.004451  2.411251e-04       False fibril_MD        45        54
+   O_TTR_6   CA_TTR_8     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.003263        0.000673      0.004451  2.411251e-04       False fibril_MD        45        55
+   O_TTR_6   CB_TTR_8     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000037        0.001033      0.004451  2.411251e-04       False fibril_MD        45        56
+   O_TTR_6   OG_TTR_8     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.003363        0.000792      0.004451  2.411251e-04       False fibril_MD        45        57
+   O_TTR_6    C_TTR_8     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000071      0.004451  2.411251e-04       False fibril_MD        45        58
    O_TTR_6    O_TTR_8     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        45        59
    O_TTR_6    O_TTR_9     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        45        66
    O_TTR_6 CE1_TTR_10     1 2.994506e-04 2.721261e-07 ; 0.311225  8.237971e-02     0.002516        0.002590      0.001408  9.187704e-03        True native_MD        45        73
@@ -1742,626 +1742,626 @@ CE2_TTR_10              6 12.0110     0.0     A 9.281161e-04 1.957757e-06
    O_TTR_6  O1_TTR_11     1 0.000000e+00 2.428469e-06 ; 0.340495 -2.428469e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        45        84
    O_TTR_6  O2_TTR_11     1 0.000000e+00 2.428469e-06 ; 0.340495 -2.428469e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        45        85
    N_TTR_7    N_TTR_7     1 2.226334e-03 8.810820e-06 ; 0.397714  1.406385e-01     0.021907        0.000000      0.004451  1.097423e-02       False fibril_MD        46        46
-   N_TTR_7   CA_TTR_7     1 7.109358e-03 4.219145e-05 ; 0.425499  2.994858e-01     0.999713        0.000000      0.004451  8.927042e-03       False fibril_MD        46        47
-   N_TTR_7   CB_TTR_7     1 7.124754e-03 4.657016e-05 ; 0.432404  2.725035e-01     0.474127        0.000006      0.004451  9.945528e-03       False fibril_MD        46        48
-   N_TTR_7   CG_TTR_7     1 9.472896e-03 8.406027e-05 ; 0.455007  2.668792e-01     0.463205        0.000034      0.004451  8.927042e-03       False fibril_MD        46        49
-   N_TTR_7  CD1_TTR_7     1 2.085292e-03 7.093049e-06 ; 0.387803  1.532642e-01     0.142760        0.000056      0.004451  2.411251e-04       False fibril_MD        46        50
-   N_TTR_7  CD2_TTR_7     1 2.085292e-03 7.093049e-06 ; 0.387803  1.532642e-01     0.142760        0.000056      0.004451  2.411251e-04       False fibril_MD        46        51
-   N_TTR_7    C_TTR_7     1 1.717182e-03 9.143027e-06 ; 0.417874  8.062738e-02     0.005657        0.000000      0.004451  1.097414e-02       False fibril_MD        46        52
-   N_TTR_7    O_TTR_7     1 2.797999e-03 6.585617e-06 ; 0.364719  2.971931e-01     0.749069        0.000000      0.004451  1.097431e-02       False fibril_MD        46        53
-   N_TTR_7   CA_TTR_8     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000001      0.004451  2.411251e-04       False fibril_MD        46        55
-   N_TTR_7   CB_TTR_8     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000012      0.004451  2.411251e-04       False fibril_MD        46        56
-   N_TTR_7   OG_TTR_8     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000362        0.000011      0.004451  2.411251e-04       False fibril_MD        46        57
-   N_TTR_7    C_TTR_8     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        46        58
-   N_TTR_7    O_TTR_8     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        46        59
-   N_TTR_7   CD_TTR_9     1 0.000000e+00 3.232756e-06 ; 0.348710 -3.232756e-06     0.000000        0.000021      0.004451  2.411251e-04       False fibril_MD        46        64
+   N_TTR_7   CA_TTR_7     1 7.109358e-03 4.219145e-05 ; 0.425499  2.994858e-01     0.999713        0.000067      0.004451  8.927042e-03       False fibril_MD        46        47
+   N_TTR_7   CB_TTR_7     1 7.124754e-03 4.657016e-05 ; 0.432404  2.725035e-01     0.474127        0.000115      0.004451  9.945528e-03       False fibril_MD        46        48
+   N_TTR_7   CG_TTR_7     1 9.472896e-03 8.406027e-05 ; 0.455007  2.668792e-01     0.463205        0.000429      0.004451  8.927042e-03       False fibril_MD        46        49
+   N_TTR_7  CD1_TTR_7     1 1.814739e-03 6.172771e-06 ; 0.387803  1.333792e-01     0.142760        0.000552      0.004451  2.411251e-04       False fibril_MD        46        50
+   N_TTR_7  CD2_TTR_7     1 1.814739e-03 6.172771e-06 ; 0.387803  1.333792e-01     0.142760        0.000552      0.004451  2.411251e-04       False fibril_MD        46        51
+   N_TTR_7    C_TTR_7     1 1.717182e-03 9.143027e-06 ; 0.417874  8.062738e-02     0.005657        0.000018      0.004451  1.097414e-02       False fibril_MD        46        52
+   N_TTR_7    O_TTR_7     1 2.797999e-03 6.585617e-06 ; 0.364719  2.971931e-01     0.749069        0.000043      0.004451  1.097431e-02       False fibril_MD        46        53
+   N_TTR_7   CA_TTR_8     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000132      0.004451  2.411251e-04       False fibril_MD        46        55
+   N_TTR_7   CB_TTR_8     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000495      0.004451  2.411251e-04       False fibril_MD        46        56
+   N_TTR_7   OG_TTR_8     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000362        0.000373      0.004451  2.411251e-04       False fibril_MD        46        57
+   N_TTR_7    C_TTR_8     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000005      0.004451  2.411251e-04       False fibril_MD        46        58
+   N_TTR_7    O_TTR_8     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000008      0.004451  2.411251e-04       False fibril_MD        46        59
+   N_TTR_7   CD_TTR_9     1 0.000000e+00 3.232756e-06 ; 0.348710 -3.232756e-06     0.000000        0.000293      0.004451  2.411251e-04       False fibril_MD        46        64
    N_TTR_7    C_TTR_9     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000000      0.001408  3.126285e-10        True native_MD        46        65
    N_TTR_7    O_TTR_9     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000000      0.001408  3.126285e-10        True native_MD        46        66
    N_TTR_7  CB_TTR_11     1 7.702920e-04 1.299962e-06 ; 0.345048  1.141091e-01     0.012052        0.000222      0.001408  7.688416e-03        True native_MD        46        81
    N_TTR_7  OG_TTR_11     1 2.422710e-04 1.438961e-07 ; 0.289929  1.019751e-01     0.006306        0.000147      0.001408  9.187803e-03        True native_MD        46        82
-  CA_TTR_7   CA_TTR_7     1 7.166565e-03 4.427569e-05 ; 0.428360  2.899992e-01     0.999996        0.000016      0.004451  7.281617e-03       False fibril_MD        47        47
-  CA_TTR_7   CB_TTR_7     1 5.559499e-03 2.620625e-05 ; 0.409476  2.948536e-01     0.999759        0.000074      0.004451  8.099766e-03       False fibril_MD        47        48
-  CA_TTR_7   CG_TTR_7     1 1.362836e-02 1.601169e-04 ; 0.476796  2.899946e-01     0.999884        0.000396      0.004451  7.281617e-03       False fibril_MD        47        49
-  CA_TTR_7  CD1_TTR_7     1 8.578854e-03 6.201429e-05 ; 0.439721  2.966926e-01     0.936009        0.000559      0.004451  8.926588e-03       False fibril_MD        47        50
-  CA_TTR_7  CD2_TTR_7     1 8.578854e-03 6.201429e-05 ; 0.439721  2.966926e-01     0.936009        0.000559      0.004451  8.926588e-03       False fibril_MD        47        51
-  CA_TTR_7    C_TTR_7     1 5.173133e-03 2.233850e-05 ; 0.403537  2.994976e-01     0.999999        0.000000      0.004451  8.926971e-03       False fibril_MD        47        52
-  CA_TTR_7    O_TTR_7     1 8.402202e-04 5.892937e-07 ; 0.298073  2.994983e-01     1.000000        0.000000      0.004451  8.927106e-03       False fibril_MD        47        53
-  CA_TTR_7    N_TTR_8     1 1.100494e-02 1.023291e-04 ; 0.458566  2.958805e-01     0.918192        0.000001      0.004451  8.927042e-03       False fibril_MD        47        54
-  CA_TTR_7   CA_TTR_8     1 2.723082e-02 6.392913e-04 ; 0.535106  2.899763e-01     0.999433        0.000073      0.004451  7.281617e-03       False fibril_MD        47        55
-  CA_TTR_7   CB_TTR_8     1 1.065899e-02 1.975974e-04 ; 0.514451  1.437443e-01     0.096029        0.000217      0.004451  2.411251e-04       False fibril_MD        47        56
-  CA_TTR_7   OG_TTR_8     1 1.833190e-03 6.407924e-06 ; 0.389570  1.311106e-01     0.056738        0.000119      0.004451  2.411251e-04       False fibril_MD        47        57
-  CA_TTR_7    C_TTR_8     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000066        0.000000      0.004451  2.411251e-04       False fibril_MD        47        58
-  CA_TTR_7    O_TTR_8     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000007        0.000000      0.004451  2.411251e-04       False fibril_MD        47        59
-  CA_TTR_7    N_TTR_9     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        47        60
-  CA_TTR_7   CA_TTR_9     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000276        0.000106      0.004451  2.411251e-04       False fibril_MD        47        61
-  CA_TTR_7   CB_TTR_9     1 0.000000e+00 2.797701e-05 ; 0.417414 -2.797701e-05     0.000000        0.000291      0.004451  2.411251e-04       False fibril_MD        47        62
-  CA_TTR_7   CG_TTR_9     1 0.000000e+00 2.797701e-05 ; 0.417414 -2.797701e-05     0.001161        0.000453      0.004451  2.411251e-04       False fibril_MD        47        63
-  CA_TTR_7   CD_TTR_9     1 1.368047e-02 2.679365e-04 ; 0.519185  1.746266e-01     0.347557        0.000152      0.004451  2.411251e-04       False fibril_MD        47        64
+  CA_TTR_7   CA_TTR_7     1 7.166565e-03 4.427569e-05 ; 0.428360  2.899992e-01     0.999996        0.000501      0.004451  7.281617e-03       False fibril_MD        47        47
+  CA_TTR_7   CB_TTR_7     1 5.559499e-03 2.620625e-05 ; 0.409476  2.948536e-01     0.999759        0.000985      0.004451  8.099766e-03       False fibril_MD        47        48
+  CA_TTR_7   CG_TTR_7     1 1.362836e-02 1.601169e-04 ; 0.476796  2.899946e-01     0.999884        0.002689      0.004451  7.281617e-03       False fibril_MD        47        49
+  CA_TTR_7  CD1_TTR_7     1 8.578854e-03 6.201429e-05 ; 0.439721  2.966926e-01     0.936009        0.002780      0.004451  8.926588e-03       False fibril_MD        47        50
+  CA_TTR_7  CD2_TTR_7     1 8.578854e-03 6.201429e-05 ; 0.439721  2.966926e-01     0.936009        0.002780      0.004451  8.926588e-03       False fibril_MD        47        51
+  CA_TTR_7    C_TTR_7     1 5.173133e-03 2.233850e-05 ; 0.403537  2.994976e-01     0.999999        0.000203      0.004451  8.926971e-03       False fibril_MD        47        52
+  CA_TTR_7    O_TTR_7     1 8.402202e-04 5.892937e-07 ; 0.298073  2.994983e-01     1.000000        0.000327      0.004451  8.927106e-03       False fibril_MD        47        53
+  CA_TTR_7    N_TTR_8     1 1.100494e-02 1.023291e-04 ; 0.458566  2.958805e-01     0.918192        0.000126      0.004451  8.927042e-03       False fibril_MD        47        54
+  CA_TTR_7   CA_TTR_8     1 2.723082e-02 6.392913e-04 ; 0.535106  2.899763e-01     0.999433        0.001536      0.004451  7.281617e-03       False fibril_MD        47        55
+  CA_TTR_7   CB_TTR_8     1 6.471932e-03 1.199774e-04 ; 0.514451  8.727877e-02     0.096029        0.002533      0.004451  2.411251e-04       False fibril_MD        47        56
+  CA_TTR_7   OG_TTR_8     1 1.209432e-03 4.227576e-06 ; 0.389570  8.649914e-02     0.056738        0.001546      0.004451  2.411251e-04       False fibril_MD        47        57
+  CA_TTR_7    C_TTR_8     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000066        0.000107      0.004451  2.411251e-04       False fibril_MD        47        58
+  CA_TTR_7    O_TTR_8     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000007        0.000173      0.004451  2.411251e-04       False fibril_MD        47        59
+  CA_TTR_7    N_TTR_9     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000062      0.004451  2.411251e-04       False fibril_MD        47        60
+  CA_TTR_7   CA_TTR_9     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000276        0.001768      0.004451  2.411251e-04       False fibril_MD        47        61
+  CA_TTR_7   CB_TTR_9     1 0.000000e+00 2.797701e-05 ; 0.417414 -2.797701e-05     0.000000        0.002375      0.004451  2.411251e-04       False fibril_MD        47        62
+  CA_TTR_7   CG_TTR_9     1 0.000000e+00 2.797701e-05 ; 0.417414 -2.797701e-05     0.001161        0.002952      0.004451  2.411251e-04       False fibril_MD        47        63
+  CA_TTR_7   CD_TTR_9     1 9.937441e-03 1.946280e-04 ; 0.519185  1.268481e-01     0.347557        0.001764      0.004451  2.411251e-04       False fibril_MD        47        64
   CA_TTR_7 CE1_TTR_10     1 2.027563e-03 1.128363e-05 ; 0.420965  9.108349e-02     0.004100        0.004487      0.001408  6.281093e-03        True native_MD        47        73
   CA_TTR_7 CE2_TTR_10     1 2.027563e-03 1.128363e-05 ; 0.420965  9.108349e-02     0.004100        0.004487      0.001408  6.281093e-03        True native_MD        47        74
   CA_TTR_7  OG_TTR_11     1 9.468067e-04 1.554584e-06 ; 0.343473  1.441612e-01     0.060465        0.003051      0.001408  6.281250e-03        True native_MD        47        82
   CA_TTR_7  O1_TTR_11     1 5.663035e-04 7.557500e-07 ; 0.331809  1.060866e-01     0.008772        0.000081      0.001408  6.281320e-03        True native_MD        47        84
   CA_TTR_7  O2_TTR_11     1 5.663035e-04 7.557500e-07 ; 0.331809  1.060866e-01     0.008772        0.000081      0.001408  6.281320e-03        True native_MD        47        85
-  CB_TTR_7   CB_TTR_7     1 5.815027e-03 2.822541e-05 ; 0.411479  2.995044e-01     0.988614        0.000097      0.004451  9.017767e-03       False fibril_MD        48        48
-  CB_TTR_7   CG_TTR_7     1 4.871347e-03 2.012032e-05 ; 0.400557  2.948515e-01     0.999707        0.000523      0.004451  8.099766e-03       False fibril_MD        48        49
-  CB_TTR_7  CD1_TTR_7     1 2.234210e-03 4.130164e-06 ; 0.350327  3.021487e-01     0.939127        0.000557      0.004451  9.945019e-03       False fibril_MD        48        50
-  CB_TTR_7  CD2_TTR_7     1 2.234210e-03 4.130164e-06 ; 0.350327  3.021487e-01     0.939127        0.000557      0.004451  9.945019e-03       False fibril_MD        48        51
-  CB_TTR_7    C_TTR_7     1 9.105602e-03 7.085032e-05 ; 0.445149  2.925604e-01     0.752844        0.000010      0.004451  9.945448e-03       False fibril_MD        48        52
-  CB_TTR_7    O_TTR_7     1 1.625220e-03 2.172544e-06 ; 0.331902  3.039455e-01     0.978776        0.000035      0.004451  9.945599e-03       False fibril_MD        48        53
-  CB_TTR_7    N_TTR_8     1 7.208109e-03 5.268908e-05 ; 0.440538  2.465256e-01     0.260500        0.000004      0.004451  9.945528e-03       False fibril_MD        48        54
-  CB_TTR_7   CA_TTR_8     1 1.098593e-02 2.206003e-04 ; 0.521349  1.367753e-01     0.071836        0.000094      0.004451  2.411251e-04       False fibril_MD        48        55
-  CB_TTR_7   CB_TTR_8     1 0.000000e+00 1.543890e-05 ; 0.397239 -1.543890e-05     0.000831        0.000247      0.004451  2.411251e-04       False fibril_MD        48        56
-  CB_TTR_7   OG_TTR_8     1 0.000000e+00 2.783506e-06 ; 0.344389 -2.783506e-06     0.000904        0.000149      0.004451  2.411251e-04       False fibril_MD        48        57
-  CB_TTR_7    C_TTR_8     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000043        0.000006      0.004451  2.411251e-04       False fibril_MD        48        58
-  CB_TTR_7    O_TTR_8     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000009      0.004451  2.411251e-04       False fibril_MD        48        59
-  CB_TTR_7    N_TTR_9     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000005      0.004451  2.411251e-04       False fibril_MD        48        60
-  CB_TTR_7   CA_TTR_9     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000025        0.000169      0.004451  2.411251e-04       False fibril_MD        48        61
-  CB_TTR_7   CB_TTR_9     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.000003        0.000309      0.004451  2.411251e-04       False fibril_MD        48        62
-  CB_TTR_7   CG_TTR_9     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.001128        0.000415      0.004451  2.411251e-04       False fibril_MD        48        63
-  CB_TTR_7   CD_TTR_9     1 5.063081e-03 6.382207e-05 ; 0.482421  1.004151e-01     0.015799        0.000189      0.004451  2.411251e-04       False fibril_MD        48        64
+  CB_TTR_7   CB_TTR_7     1 5.815027e-03 2.822541e-05 ; 0.411479  2.995044e-01     0.988614        0.000656      0.004451  9.017767e-03       False fibril_MD        48        48
+  CB_TTR_7   CG_TTR_7     1 4.871347e-03 2.012032e-05 ; 0.400557  2.948515e-01     0.999707        0.002163      0.004451  8.099766e-03       False fibril_MD        48        49
+  CB_TTR_7  CD1_TTR_7     1 2.234210e-03 4.130164e-06 ; 0.350327  3.021487e-01     0.939127        0.002213      0.004451  9.945019e-03       False fibril_MD        48        50
+  CB_TTR_7  CD2_TTR_7     1 2.234210e-03 4.130164e-06 ; 0.350327  3.021487e-01     0.939127        0.002213      0.004451  9.945019e-03       False fibril_MD        48        51
+  CB_TTR_7    C_TTR_7     1 9.105602e-03 7.085032e-05 ; 0.445149  2.925604e-01     0.752844        0.000364      0.004451  9.945448e-03       False fibril_MD        48        52
+  CB_TTR_7    O_TTR_7     1 1.625220e-03 2.172544e-06 ; 0.331902  3.039455e-01     0.978776        0.000484      0.004451  9.945599e-03       False fibril_MD        48        53
+  CB_TTR_7    N_TTR_8     1 7.208109e-03 5.268908e-05 ; 0.440538  2.465256e-01     0.260500        0.000226      0.004451  9.945528e-03       False fibril_MD        48        54
+  CB_TTR_7   CA_TTR_8     1 7.268982e-03 1.459630e-04 ; 0.521349  9.049913e-02     0.071836        0.001657      0.004451  2.411251e-04       False fibril_MD        48        55
+  CB_TTR_7   CB_TTR_8     1 0.000000e+00 1.543890e-05 ; 0.397239 -1.543890e-05     0.000831        0.002203      0.004451  2.411251e-04       False fibril_MD        48        56
+  CB_TTR_7   OG_TTR_8     1 0.000000e+00 2.783506e-06 ; 0.344389 -2.783506e-06     0.000904        0.001437      0.004451  2.411251e-04       False fibril_MD        48        57
+  CB_TTR_7    C_TTR_8     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000043        0.000245      0.004451  2.411251e-04       False fibril_MD        48        58
+  CB_TTR_7    O_TTR_8     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000258      0.004451  2.411251e-04       False fibril_MD        48        59
+  CB_TTR_7    N_TTR_9     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000187      0.004451  2.411251e-04       False fibril_MD        48        60
+  CB_TTR_7   CA_TTR_9     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000025        0.001812      0.004451  2.411251e-04       False fibril_MD        48        61
+  CB_TTR_7   CB_TTR_9     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.000003        0.002180      0.004451  2.411251e-04       False fibril_MD        48        62
+  CB_TTR_7   CG_TTR_9     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.001128        0.002670      0.004451  2.411251e-04       False fibril_MD        48        63
+  CB_TTR_7   CD_TTR_9     1 0.000000e+00 2.715402e-04 ; 0.504452 -2.715402e-04     0.015799        0.001825      0.004451  2.411251e-04       False fibril_MD        48        64
   CB_TTR_7  CB_TTR_11     1 1.400947e-03 3.326057e-06 ; 0.365245  1.475210e-01     0.070635        0.005069      0.001408  6.403102e-03        True native_MD        48        81
   CB_TTR_7  OG_TTR_11     1 6.157655e-04 6.544443e-07 ; 0.319455  1.448432e-01     0.053804        0.003303      0.001408  7.688490e-03        True native_MD        48        82
   CB_TTR_7  O1_TTR_11     1 4.110740e-04 3.681244e-07 ; 0.310465  1.147587e-01     0.012439        0.000284      0.001408  7.688572e-03        True native_MD        48        84
   CB_TTR_7  O2_TTR_11     1 4.110740e-04 3.681244e-07 ; 0.310465  1.147587e-01     0.012439        0.000284      0.001408  7.688572e-03        True native_MD        48        85
-  CG_TTR_7   CG_TTR_7     1 6.581887e-03 3.736059e-05 ; 0.422355  2.898859e-01     0.997212        0.000793      0.004451  7.281617e-03       False fibril_MD        49        49
-  CG_TTR_7  CD1_TTR_7     1 3.228500e-03 8.733838e-06 ; 0.373279  2.983571e-01     0.973498        0.001040      0.004451  8.926588e-03       False fibril_MD        49        50
-  CG_TTR_7  CD2_TTR_7     1 3.228500e-03 8.733838e-06 ; 0.373279  2.983571e-01     0.973498        0.001040      0.004451  8.926588e-03       False fibril_MD        49        51
-  CG_TTR_7    C_TTR_7     1 1.252871e-02 1.361916e-04 ; 0.470660  2.881394e-01     0.764925        0.000067      0.004451  8.926971e-03       False fibril_MD        49        52
-  CG_TTR_7    O_TTR_7     1 2.589856e-03 8.480027e-06 ; 0.385348  1.977398e-01     0.910154        0.000118      0.004451  2.411251e-04       False fibril_MD        49        53
-  CG_TTR_7    N_TTR_8     1 4.816809e-03 4.810614e-05 ; 0.464059  1.205753e-01     0.036585        0.000041      0.004451  2.411251e-04       False fibril_MD        49        54
-  CG_TTR_7   CA_TTR_8     1 1.743006e-02 5.270624e-04 ; 0.558162  1.441040e-01     0.158472        0.000392      0.004451  2.411251e-04       False fibril_MD        49        55
-  CG_TTR_7   CB_TTR_8     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000000        0.000729      0.004451  2.411251e-04       False fibril_MD        49        56
-  CG_TTR_7   OG_TTR_8     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000011        0.000424      0.004451  2.411251e-04       False fibril_MD        49        57
-  CG_TTR_7    C_TTR_8     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000477        0.000041      0.004451  2.411251e-04       False fibril_MD        49        58
-  CG_TTR_7    O_TTR_8     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000055        0.000074      0.004451  2.411251e-04       False fibril_MD        49        59
-  CG_TTR_7    N_TTR_9     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000230        0.000061      0.004451  2.411251e-04       False fibril_MD        49        60
-  CG_TTR_7   CA_TTR_9     1 0.000000e+00 1.311115e-03 ; 0.575179 -1.311115e-03     0.009521        0.000699      0.004451  2.411251e-04       False fibril_MD        49        61
-  CG_TTR_7   CB_TTR_9     1 0.000000e+00 2.797701e-05 ; 0.417414 -2.797701e-05     0.003438        0.000918      0.004451  2.411251e-04       False fibril_MD        49        62
-  CG_TTR_7   CG_TTR_9     1 7.502858e-03 1.088293e-04 ; 0.493840  1.293146e-01     0.220529        0.001010      0.004451  2.411251e-04       False fibril_MD        49        63
-  CG_TTR_7   CD_TTR_9     1 7.220781e-03 8.346575e-05 ; 0.475504  1.561709e-01     0.377564        0.000565      0.004451  2.411251e-04       False fibril_MD        49        64
+  CG_TTR_7   CG_TTR_7     1 6.581887e-03 3.736059e-05 ; 0.422355  2.898859e-01     0.997212        0.002736      0.004451  7.281617e-03       False fibril_MD        49        49
+  CG_TTR_7  CD1_TTR_7     1 3.228500e-03 8.733838e-06 ; 0.373279  2.983571e-01     0.973498        0.003084      0.004451  8.926588e-03       False fibril_MD        49        50
+  CG_TTR_7  CD2_TTR_7     1 3.228500e-03 8.733838e-06 ; 0.373279  2.983571e-01     0.973498        0.003084      0.004451  8.926588e-03       False fibril_MD        49        51
+  CG_TTR_7    C_TTR_7     1 1.252871e-02 1.361916e-04 ; 0.470660  2.881394e-01     0.764925        0.001052      0.004451  8.926971e-03       False fibril_MD        49        52
+  CG_TTR_7    O_TTR_7     1 2.093195e-03 6.853797e-06 ; 0.385348  1.598188e-01     0.910154        0.001170      0.004451  2.411251e-04       False fibril_MD        49        53
+  CG_TTR_7    N_TTR_8     1 3.956951e-03 3.951863e-05 ; 0.464059  9.905117e-02     0.036585        0.000591      0.004451  2.411251e-04       False fibril_MD        49        54
+  CG_TTR_7   CA_TTR_8     1 1.086513e-02 3.285473e-04 ; 0.558162  8.982803e-02     0.158472        0.003759      0.004451  2.411251e-04       False fibril_MD        49        55
+  CG_TTR_7   CB_TTR_8     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000000        0.004131      0.004451  2.411251e-04       False fibril_MD        49        56
+  CG_TTR_7   OG_TTR_8     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000011        0.002587      0.004451  2.411251e-04       False fibril_MD        49        57
+  CG_TTR_7    C_TTR_8     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000477        0.000800      0.004451  2.411251e-04       False fibril_MD        49        58
+  CG_TTR_7    O_TTR_8     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000055        0.000865      0.004451  2.411251e-04       False fibril_MD        49        59
+  CG_TTR_7    N_TTR_9     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000230        0.000455      0.004451  2.411251e-04       False fibril_MD        49        60
+  CG_TTR_7   CA_TTR_9     1 0.000000e+00 1.311115e-03 ; 0.575179 -1.311115e-03     0.009521        0.003844      0.004451  2.411251e-04       False fibril_MD        49        61
+  CG_TTR_7   CB_TTR_9     1 0.000000e+00 2.797701e-05 ; 0.417414 -2.797701e-05     0.003438        0.003980      0.004451  2.411251e-04       False fibril_MD        49        62
+  CG_TTR_7   CG_TTR_9     1 5.371064e-03 7.790754e-05 ; 0.493840  9.257232e-02     0.220529        0.004666      0.004451  2.411251e-04       False fibril_MD        49        63
+  CG_TTR_7   CD_TTR_9     1 5.278582e-03 6.101566e-05 ; 0.475504  1.141650e-01     0.377564        0.003250      0.004451  2.411251e-04       False fibril_MD        49        64
   CG_TTR_7   C_TTR_11     1 2.763330e-03 1.544301e-05 ; 0.421260  1.236156e-01     0.021336        0.001003      0.001408  6.281093e-03        True native_MD        49        83
   CG_TTR_7  O1_TTR_11     1 7.021636e-04 1.049729e-06 ; 0.338148  1.174193e-01     0.015583        0.000787      0.001408  6.281320e-03        True native_MD        49        84
   CG_TTR_7  O2_TTR_11     1 7.021636e-04 1.049729e-06 ; 0.338148  1.174193e-01     0.015583        0.000787      0.001408  6.281320e-03        True native_MD        49        85
- CD1_TTR_7  CD1_TTR_7     1 2.520325e-03 5.165344e-06 ; 0.356402  3.074355e-01     0.943918        0.001084      0.004451  1.097310e-02       False fibril_MD        50        50
- CD1_TTR_7  CD2_TTR_7     1 2.520325e-03 5.165344e-06 ; 0.356402  3.074355e-01     0.943918        0.001084      0.004451  1.097310e-02       False fibril_MD        50        51
- CD1_TTR_7    C_TTR_7     1 2.250385e-03 7.044247e-06 ; 0.382469  1.797293e-01     0.429861        0.000163      0.004451  2.411251e-04       False fibril_MD        50        52
- CD1_TTR_7    O_TTR_7     1 6.390108e-04 5.677482e-07 ; 0.310057  1.798045e-01     0.431209        0.000199      0.004451  2.411251e-04       False fibril_MD        50        53
- CD1_TTR_7    N_TTR_8     1 2.556583e-03 1.173608e-05 ; 0.407672  1.392312e-01     0.079573        0.000118      0.004451  2.411251e-04       False fibril_MD        50        54
- CD1_TTR_7   CA_TTR_8     1 7.487956e-03 9.027152e-05 ; 0.478848  1.552801e-01     0.341275        0.000530      0.004451  2.411251e-04       False fibril_MD        50        55
- CD1_TTR_7   CB_TTR_8     1 0.000000e+00 1.151981e-05 ; 0.387662 -1.151981e-05     0.000482        0.000763      0.004451  2.411251e-04       False fibril_MD        50        56
- CD1_TTR_7   OG_TTR_8     1 0.000000e+00 2.076926e-06 ; 0.336087 -2.076926e-06     0.000000        0.000512      0.004451  2.411251e-04       False fibril_MD        50        57
- CD1_TTR_7    C_TTR_8     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.002037        0.000118      0.004451  2.411251e-04       False fibril_MD        50        58
- CD1_TTR_7    O_TTR_8     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000103        0.000109      0.004451  2.411251e-04       False fibril_MD        50        59
- CD1_TTR_7    N_TTR_9     1 2.673265e-03 1.759764e-05 ; 0.432914  1.015242e-01     0.016546        0.000121      0.004451  2.411251e-04       False fibril_MD        50        60
- CD1_TTR_7   CA_TTR_9     1 5.702016e-03 1.101292e-04 ; 0.517979  7.380647e-02     0.017218        0.000796      0.004451  2.411251e-04       False fibril_MD        50        61
- CD1_TTR_7   CB_TTR_9     1 4.175259e-03 4.799161e-05 ; 0.475058  9.081164e-02     0.042823        0.000975      0.004451  2.411251e-04       False fibril_MD        50        62
- CD1_TTR_7   CG_TTR_9     1 1.853686e-03 6.055439e-06 ; 0.385199  1.418623e-01     0.376697        0.001023      0.004451  2.411251e-04       False fibril_MD        50        63
- CD1_TTR_7   CD_TTR_9     1 1.198286e-03 2.279357e-06 ; 0.351999  1.574885e-01     0.421454        0.000597      0.004451  2.411251e-04       False fibril_MD        50        64
+ CD1_TTR_7  CD1_TTR_7     1 2.520325e-03 5.165344e-06 ; 0.356402  3.074355e-01     0.943918        0.002975      0.004451  1.097310e-02       False fibril_MD        50        50
+ CD1_TTR_7  CD2_TTR_7     1 2.520325e-03 5.165344e-06 ; 0.356402  3.074355e-01     0.943918        0.002975      0.004451  1.097310e-02       False fibril_MD        50        51
+ CD1_TTR_7    C_TTR_7     1 1.738179e-03 5.440919e-06 ; 0.382469  1.388215e-01     0.429861        0.001325      0.004451  2.411251e-04       False fibril_MD        50        52
+ CD1_TTR_7    O_TTR_7     1 5.033000e-04 4.471720e-07 ; 0.310057  1.416183e-01     0.431209        0.001183      0.004451  2.411251e-04       False fibril_MD        50        53
+ CD1_TTR_7    N_TTR_8     1 1.974471e-03 9.063881e-06 ; 0.407672  1.075295e-01     0.079573        0.000903      0.004451  2.411251e-04       False fibril_MD        50        54
+ CD1_TTR_7   CA_TTR_8     1 5.340155e-03 6.437858e-05 ; 0.478848  1.107405e-01     0.341275        0.003388      0.004451  2.411251e-04       False fibril_MD        50        55
+ CD1_TTR_7   CB_TTR_8     1 0.000000e+00 1.151981e-05 ; 0.387662 -1.151981e-05     0.000482        0.003468      0.004451  2.411251e-04       False fibril_MD        50        56
+ CD1_TTR_7   OG_TTR_8     1 0.000000e+00 2.076926e-06 ; 0.336087 -2.076926e-06     0.000000        0.002224      0.004451  2.411251e-04       False fibril_MD        50        57
+ CD1_TTR_7    C_TTR_8     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.002037        0.001061      0.004451  2.411251e-04       False fibril_MD        50        58
+ CD1_TTR_7    O_TTR_8     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000103        0.000914      0.004451  2.411251e-04       False fibril_MD        50        59
+ CD1_TTR_7    N_TTR_9     1 1.919843e-03 1.263799e-05 ; 0.432914  7.291105e-02     0.016546        0.000794      0.004451  2.411251e-04       False fibril_MD        50        60
+ CD1_TTR_7   CA_TTR_9     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.004320        0.002979      0.004451  2.411251e-04       False fibril_MD        50        61
+ CD1_TTR_7   CB_TTR_9     1 0.000000e+00 1.934510e-04 ; 0.490397 -1.934510e-04     0.004868        0.002920      0.004451  2.411251e-04       False fibril_MD        50        62
+ CD1_TTR_7   CG_TTR_9     1 1.437087e-03 4.694533e-06 ; 0.385199  1.099800e-01     0.376697        0.003860      0.004451  2.411251e-04       False fibril_MD        50        63
+ CD1_TTR_7   CD_TTR_9     1 9.143411e-04 1.739242e-06 ; 0.351999  1.201701e-01     0.421454        0.002825      0.004451  2.411251e-04       False fibril_MD        50        64
  CD1_TTR_7  CB_TTR_11     1 1.163034e-03 2.315682e-06 ; 0.354689  1.460312e-01     0.057011        0.007252      0.001408  7.687693e-03        True native_MD        50        81
  CD1_TTR_7  OG_TTR_11     1 6.142034e-04 6.789336e-07 ; 0.321553  1.389111e-01     0.035654        0.004900      0.001408  9.186961e-03        True native_MD        50        82
  CD1_TTR_7  O1_TTR_11     1 3.686798e-04 2.965870e-07 ; 0.304965  1.145741e-01     0.011387        0.000813      0.001408  9.187057e-03        True native_MD        50        84
  CD1_TTR_7  O2_TTR_11     1 3.686798e-04 2.965870e-07 ; 0.304965  1.145741e-01     0.011387        0.000813      0.001408  9.187057e-03        True native_MD        50        85
- CD2_TTR_7  CD2_TTR_7     1 2.520325e-03 5.165344e-06 ; 0.356402  3.074355e-01     0.943918        0.001084      0.004451  1.097310e-02       False fibril_MD        51        51
- CD2_TTR_7    C_TTR_7     1 2.250385e-03 7.044247e-06 ; 0.382469  1.797293e-01     0.429861        0.000163      0.004451  2.411251e-04       False fibril_MD        51        52
- CD2_TTR_7    O_TTR_7     1 6.390108e-04 5.677482e-07 ; 0.310057  1.798045e-01     0.431209        0.000199      0.004451  2.411251e-04       False fibril_MD        51        53
- CD2_TTR_7    N_TTR_8     1 2.556583e-03 1.173608e-05 ; 0.407672  1.392312e-01     0.079573        0.000118      0.004451  2.411251e-04       False fibril_MD        51        54
- CD2_TTR_7   CA_TTR_8     1 7.487956e-03 9.027152e-05 ; 0.478848  1.552801e-01     0.341275        0.000530      0.004451  2.411251e-04       False fibril_MD        51        55
- CD2_TTR_7   CB_TTR_8     1 0.000000e+00 1.151981e-05 ; 0.387662 -1.151981e-05     0.000000        0.000590      0.004451  2.411251e-04       False fibril_MD        51        56
- CD2_TTR_7   OG_TTR_8     1 0.000000e+00 2.076926e-06 ; 0.336087 -2.076926e-06     0.000000        0.000386      0.004451  2.411251e-04       False fibril_MD        51        57
- CD2_TTR_7    C_TTR_8     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000965        0.000092      0.004451  2.411251e-04       False fibril_MD        51        58
- CD2_TTR_7    O_TTR_8     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000045        0.000078      0.004451  2.411251e-04       False fibril_MD        51        59
- CD2_TTR_7    N_TTR_9     1 2.673265e-03 1.759764e-05 ; 0.432914  1.015242e-01     0.016546        0.000121      0.004451  2.411251e-04       False fibril_MD        51        60
- CD2_TTR_7   CA_TTR_9     1 5.702016e-03 1.101292e-04 ; 0.517979  7.380647e-02     0.017218        0.000796      0.004451  2.411251e-04       False fibril_MD        51        61
- CD2_TTR_7   CB_TTR_9     1 4.175259e-03 4.799161e-05 ; 0.475058  9.081164e-02     0.042823        0.000975      0.004451  2.411251e-04       False fibril_MD        51        62
- CD2_TTR_7   CG_TTR_9     1 1.853686e-03 6.055439e-06 ; 0.385199  1.418623e-01     0.376697        0.001023      0.004451  2.411251e-04       False fibril_MD        51        63
- CD2_TTR_7   CD_TTR_9     1 1.198286e-03 2.279357e-06 ; 0.351999  1.574885e-01     0.421454        0.000597      0.004451  2.411251e-04       False fibril_MD        51        64
+ CD2_TTR_7  CD2_TTR_7     1 2.520325e-03 5.165344e-06 ; 0.356402  3.074355e-01     0.943918        0.002975      0.004451  1.097310e-02       False fibril_MD        51        51
+ CD2_TTR_7    C_TTR_7     1 1.738179e-03 5.440919e-06 ; 0.382469  1.388215e-01     0.429861        0.001325      0.004451  2.411251e-04       False fibril_MD        51        52
+ CD2_TTR_7    O_TTR_7     1 5.033000e-04 4.471720e-07 ; 0.310057  1.416183e-01     0.431209        0.001183      0.004451  2.411251e-04       False fibril_MD        51        53
+ CD2_TTR_7    N_TTR_8     1 1.974471e-03 9.063881e-06 ; 0.407672  1.075295e-01     0.079573        0.000903      0.004451  2.411251e-04       False fibril_MD        51        54
+ CD2_TTR_7   CA_TTR_8     1 5.340155e-03 6.437858e-05 ; 0.478848  1.107405e-01     0.341275        0.003388      0.004451  2.411251e-04       False fibril_MD        51        55
+ CD2_TTR_7   CB_TTR_8     1 0.000000e+00 1.151981e-05 ; 0.387662 -1.151981e-05     0.000000        0.003128      0.004451  2.411251e-04       False fibril_MD        51        56
+ CD2_TTR_7   OG_TTR_8     1 0.000000e+00 2.076926e-06 ; 0.336087 -2.076926e-06     0.000000        0.002008      0.004451  2.411251e-04       False fibril_MD        51        57
+ CD2_TTR_7    C_TTR_8     1 0.000000e+00 4.726116e-06 ; 0.359922 -4.726116e-06     0.000965        0.000911      0.004451  2.411251e-04       False fibril_MD        51        58
+ CD2_TTR_7    O_TTR_8     1 0.000000e+00 1.503992e-06 ; 0.327168 -1.503992e-06     0.000045        0.000797      0.004451  2.411251e-04       False fibril_MD        51        59
+ CD2_TTR_7    N_TTR_9     1 1.919843e-03 1.263799e-05 ; 0.432914  7.291105e-02     0.016546        0.000794      0.004451  2.411251e-04       False fibril_MD        51        60
+ CD2_TTR_7   CA_TTR_9     1 0.000000e+00 2.373791e-05 ; 0.411737 -2.373791e-05     0.004320        0.002979      0.004451  2.411251e-04       False fibril_MD        51        61
+ CD2_TTR_7   CB_TTR_9     1 0.000000e+00 1.934510e-04 ; 0.490397 -1.934510e-04     0.004868        0.002920      0.004451  2.411251e-04       False fibril_MD        51        62
+ CD2_TTR_7   CG_TTR_9     1 1.437087e-03 4.694533e-06 ; 0.385199  1.099800e-01     0.376697        0.003860      0.004451  2.411251e-04       False fibril_MD        51        63
+ CD2_TTR_7   CD_TTR_9     1 9.143411e-04 1.739242e-06 ; 0.351999  1.201701e-01     0.421454        0.002825      0.004451  2.411251e-04       False fibril_MD        51        64
  CD2_TTR_7  CB_TTR_11     1 1.163034e-03 2.315682e-06 ; 0.354689  1.460312e-01     0.057011        0.007252      0.001408  7.687693e-03        True native_MD        51        81
  CD2_TTR_7  OG_TTR_11     1 6.142034e-04 6.789336e-07 ; 0.321553  1.389111e-01     0.035654        0.004900      0.001408  9.186961e-03        True native_MD        51        82
  CD2_TTR_7  O1_TTR_11     1 3.686798e-04 2.965870e-07 ; 0.304965  1.145741e-01     0.011387        0.000813      0.001408  9.187057e-03        True native_MD        51        84
  CD2_TTR_7  O2_TTR_11     1 3.686798e-04 2.965870e-07 ; 0.304965  1.145741e-01     0.011387        0.000813      0.001408  9.187057e-03        True native_MD        51        85
-   C_TTR_7    C_TTR_7     1 7.078108e-03 4.108057e-05 ; 0.423923  3.048863e-01     0.891071        0.000000      0.004451  1.097406e-02       False fibril_MD        52        52
-   C_TTR_7    O_TTR_7     1 1.313536e-03 1.391449e-06 ; 0.319279  3.099964e-01     0.999939        0.000000      0.004451  1.097422e-02       False fibril_MD        52        53
-   C_TTR_7    N_TTR_8     1 2.845687e-03 6.533085e-06 ; 0.363208  3.098817e-01     0.997364        0.000000      0.004451  1.097414e-02       False fibril_MD        52        54
-   C_TTR_7   CA_TTR_8     1 1.079837e-02 9.738623e-05 ; 0.456236  2.993359e-01     0.996193        0.000010      0.004451  8.926971e-03       False fibril_MD        52        55
-   C_TTR_7   CB_TTR_8     1 9.472710e-03 8.325895e-05 ; 0.454283  2.694372e-01     0.441772        0.000071      0.004451  9.945448e-03       False fibril_MD        52        56
-   C_TTR_7   OG_TTR_8     1 1.233177e-03 2.953894e-06 ; 0.365787  1.287052e-01     0.051329        0.000043      0.004451  2.411251e-04       False fibril_MD        52        57
-   C_TTR_7    C_TTR_8     1 6.850480e-03 4.336649e-05 ; 0.430103  2.705377e-01     0.410543        0.000000      0.004451  1.097406e-02       False fibril_MD        52        58
-   C_TTR_7    O_TTR_8     1 2.225842e-03 8.025069e-06 ; 0.391585  1.543405e-01     0.149305        0.000000      0.004451  2.411251e-04       False fibril_MD        52        59
-   C_TTR_7    N_TTR_9     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000662        0.000000      0.004451  2.411251e-04       False fibril_MD        52        60
-   C_TTR_7   CA_TTR_9     1 6.250823e-03 8.929542e-05 ; 0.492586  1.093919e-01     0.022962        0.000016      0.004451  2.411251e-04       False fibril_MD        52        61
-   C_TTR_7   CG_TTR_9     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000866        0.000149      0.004451  2.411251e-04       False fibril_MD        52        63
-   C_TTR_7   CD_TTR_9     1 4.304673e-03 3.966662e-05 ; 0.457876  1.167872e-01     0.031245        0.000023      0.004451  2.411251e-04       False fibril_MD        52        64
-   O_TTR_7    O_TTR_7     1 4.770067e-03 2.875823e-05 ; 0.426618  1.978002e-01     0.912449        0.000011      0.004451  2.411251e-04       False fibril_MD        53        53
-   O_TTR_7    N_TTR_8     1 3.086419e-04 7.682271e-08 ; 0.250807  3.099988e-01     0.999985        0.000000      0.004451  1.097431e-02       False fibril_MD        53        54
-   O_TTR_7   CA_TTR_8     1 2.079538e-03 3.609871e-06 ; 0.346674  2.994897e-01     0.999797        0.000038      0.004451  8.927106e-03       False fibril_MD        53        55
-   O_TTR_7   CB_TTR_8     1 2.272540e-03 6.521061e-06 ; 0.376965  1.979907e-01     0.919717        0.000088      0.004451  2.411251e-04       False fibril_MD        53        56
-   O_TTR_7   OG_TTR_8     1 2.874744e-04 1.462597e-07 ; 0.282545  1.412582e-01     0.086583        0.000065      0.004451  2.411251e-04       False fibril_MD        53        57
-   O_TTR_7    C_TTR_8     1 1.554257e-03 3.040606e-06 ; 0.353649  1.986211e-01     0.944187        0.000000      0.004451  2.411251e-04       False fibril_MD        53        58
-   O_TTR_7    O_TTR_8     1 1.383834e-03 2.394504e-06 ; 0.346488  1.999366e-01     0.997361        0.000017      0.004451  2.411251e-04       False fibril_MD        53        59
-   O_TTR_7    N_TTR_9     1 1.341531e-03 3.283139e-06 ; 0.367097  1.370415e-01     0.072637        0.000000      0.004451  2.411251e-04       False fibril_MD        53        60
-   O_TTR_7   CA_TTR_9     1 4.412123e-03 3.293224e-05 ; 0.442075  1.477795e-01     0.113604        0.000040      0.004451  2.411251e-04       False fibril_MD        53        61
-   O_TTR_7   CB_TTR_9     1 0.000000e+00 1.772574e-06 ; 0.331678 -1.772574e-06     0.002584        0.000124      0.004451  2.411251e-04       False fibril_MD        53        62
-   O_TTR_7   CG_TTR_9     1 9.011601e-04 2.442563e-06 ; 0.373400  8.311858e-02     0.007687        0.000178      0.004451  2.411251e-04       False fibril_MD        53        63
-   O_TTR_7   CD_TTR_9     1 2.188777e-03 7.461690e-06 ; 0.387947  1.605114e-01     0.193063        0.000061      0.004451  2.411251e-04       False fibril_MD        53        64
+   C_TTR_7    C_TTR_7     1 7.078108e-03 4.108057e-05 ; 0.423923  3.048863e-01     0.891071        0.000012      0.004451  1.097406e-02       False fibril_MD        52        52
+   C_TTR_7    O_TTR_7     1 1.313536e-03 1.391449e-06 ; 0.319279  3.099964e-01     0.999939        0.000075      0.004451  1.097422e-02       False fibril_MD        52        53
+   C_TTR_7    N_TTR_8     1 2.845687e-03 6.533085e-06 ; 0.363208  3.098817e-01     0.997364        0.000027      0.004451  1.097414e-02       False fibril_MD        52        54
+   C_TTR_7   CA_TTR_8     1 1.079837e-02 9.738623e-05 ; 0.456236  2.993359e-01     0.996193        0.000400      0.004451  8.926971e-03       False fibril_MD        52        55
+   C_TTR_7   CB_TTR_8     1 9.472710e-03 8.325895e-05 ; 0.454283  2.694372e-01     0.441772        0.001116      0.004451  9.945448e-03       False fibril_MD        52        56
+   C_TTR_7   OG_TTR_8     1 9.675814e-04 2.317699e-06 ; 0.365787  1.009853e-01     0.051329        0.000765      0.004451  2.411251e-04       False fibril_MD        52        57
+   C_TTR_7    C_TTR_8     1 6.850480e-03 4.336649e-05 ; 0.430103  2.705377e-01     0.410543        0.000013      0.004451  1.097406e-02       False fibril_MD        52        58
+   C_TTR_7    O_TTR_8     1 2.225842e-03 8.025069e-06 ; 0.391585  1.543405e-01     0.149305        0.000057      0.004451  2.411251e-04       False fibril_MD        52        59
+   C_TTR_7    N_TTR_9     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000662        0.000007      0.004451  2.411251e-04       False fibril_MD        52        60
+   C_TTR_7   CA_TTR_9     1 5.191223e-03 7.415862e-05 ; 0.492586  9.084850e-02     0.022962        0.000522      0.004451  2.411251e-04       False fibril_MD        52        61
+   C_TTR_7   CG_TTR_9     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000866        0.001414      0.004451  2.411251e-04       False fibril_MD        52        63
+   C_TTR_7   CD_TTR_9     1 3.387175e-03 3.121208e-05 ; 0.457876  9.189514e-02     0.031245        0.000680      0.004451  2.411251e-04       False fibril_MD        52        64
+   O_TTR_7    O_TTR_7     1 4.639729e-03 2.797244e-05 ; 0.426618  1.923955e-01     0.912449        0.000302      0.004451  2.411251e-04       False fibril_MD        53        53
+   O_TTR_7    N_TTR_8     1 3.086419e-04 7.682271e-08 ; 0.250807  3.099988e-01     0.999985        0.000073      0.004451  1.097431e-02       False fibril_MD        53        54
+   O_TTR_7   CA_TTR_8     1 2.079538e-03 3.609871e-06 ; 0.346674  2.994897e-01     0.999797        0.000632      0.004451  8.927106e-03       False fibril_MD        53        55
+   O_TTR_7   CB_TTR_8     1 1.849812e-03 5.308041e-06 ; 0.376965  1.611613e-01     0.919717        0.001118      0.004451  2.411251e-04       False fibril_MD        53        56
+   O_TTR_7   OG_TTR_8     1 2.252288e-04 1.145907e-07 ; 0.282545  1.106722e-01     0.086583        0.000862      0.004451  2.411251e-04       False fibril_MD        53        57
+   O_TTR_7    C_TTR_8     1 1.554257e-03 3.040606e-06 ; 0.353649  1.986211e-01     0.944187        0.000051      0.004451  2.411251e-04       False fibril_MD        53        58
+   O_TTR_7    O_TTR_8     1 1.324305e-03 2.291499e-06 ; 0.346488  1.913358e-01     0.997361        0.000345      0.004451  2.411251e-04       False fibril_MD        53        59
+   O_TTR_7    N_TTR_9     1 1.341531e-03 3.283139e-06 ; 0.367097  1.370415e-01     0.072637        0.000050      0.004451  2.411251e-04       False fibril_MD        53        60
+   O_TTR_7   CA_TTR_9     1 3.631965e-03 2.710911e-05 ; 0.442075  1.216489e-01     0.113604        0.000716      0.004451  2.411251e-04       False fibril_MD        53        61
+   O_TTR_7   CB_TTR_9     1 0.000000e+00 1.772574e-06 ; 0.331678 -1.772574e-06     0.002584        0.001034      0.004451  2.411251e-04       False fibril_MD        53        62
+   O_TTR_7   CG_TTR_9     1 0.000000e+00 4.506211e-06 ; 0.358496 -4.506211e-06     0.007687        0.001302      0.004451  2.411251e-04       False fibril_MD        53        63
+   O_TTR_7   CD_TTR_9     1 1.799426e-03 6.134364e-06 ; 0.387947  1.319588e-01     0.193063        0.000792      0.004451  2.411251e-04       False fibril_MD        53        64
    O_TTR_7    O_TTR_9     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        53        66
    O_TTR_7   O_TTR_10     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        53        78
    O_TTR_7  O1_TTR_11     1 0.000000e+00 2.428469e-06 ; 0.340495 -2.428469e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        53        84
    O_TTR_7  O2_TTR_11     1 0.000000e+00 2.428469e-06 ; 0.340495 -2.428469e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        53        85
-   N_TTR_8    N_TTR_8     1 2.852677e-03 1.096372e-05 ; 0.395777  1.855613e-01     0.060359        0.000000      0.004451  1.097423e-02       False fibril_MD        54        54
-   N_TTR_8   CA_TTR_8     1 5.200245e-03 2.257392e-05 ; 0.403891  2.994888e-01     0.999783        0.000004      0.004451  8.927042e-03       False fibril_MD        54        55
-   N_TTR_8   CB_TTR_8     1 5.380839e-03 2.521742e-05 ; 0.409080  2.870379e-01     0.662843        0.000027      0.004451  9.945528e-03       False fibril_MD        54        56
-   N_TTR_8   OG_TTR_8     1 5.807444e-04 3.266395e-07 ; 0.287308  2.581317e-01     0.310309        0.000014      0.004451  1.097429e-02       False fibril_MD        54        57
-   N_TTR_8    C_TTR_8     1 2.618012e-03 1.385709e-05 ; 0.417462  1.236549e-01     0.014934        0.000000      0.004451  1.097414e-02       False fibril_MD        54        58
-   N_TTR_8    O_TTR_8     1 2.433986e-03 7.061939e-06 ; 0.377660  2.097260e-01     0.104114        0.000000      0.004451  1.097431e-02       False fibril_MD        54        59
-   N_TTR_8   CA_TTR_9     1 3.858786e-03 4.269941e-05 ; 0.472058  8.718051e-02     0.009104        0.000000      0.004451  2.411251e-04       False fibril_MD        54        61
-   N_TTR_8   CB_TTR_9     1 0.000000e+00 3.232756e-06 ; 0.348710 -3.232756e-06     0.000000        0.000037      0.004451  2.411251e-04       False fibril_MD        54        62
-   N_TTR_8   CG_TTR_9     1 0.000000e+00 3.232756e-06 ; 0.348710 -3.232756e-06     0.002230        0.000029      0.004451  2.411251e-04       False fibril_MD        54        63
-   N_TTR_8   CD_TTR_9     1 3.969870e-03 2.078159e-05 ; 0.416694  1.895894e-01     0.648163        0.000005      0.004451  2.411251e-04       False fibril_MD        54        64
-   N_TTR_8 CE1_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000058      0.004451  2.411251e-04       False fibril_MD        54        73
-   N_TTR_8 CE2_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000039      0.004451  2.411251e-04       False fibril_MD        54        74
-   N_TTR_8  CZ_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000047      0.004451  2.411251e-04       False fibril_MD        54        75
-   N_TTR_8  OH_TTR_10     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000000        0.000098      0.004451  2.411251e-04       False fibril_MD        54        76
+   N_TTR_8    N_TTR_8     1 2.852677e-03 1.096372e-05 ; 0.395777  1.855613e-01     0.060359        0.000006      0.004451  1.097423e-02       False fibril_MD        54        54
+   N_TTR_8   CA_TTR_8     1 5.200245e-03 2.257392e-05 ; 0.403891  2.994888e-01     0.999783        0.000215      0.004451  8.927042e-03       False fibril_MD        54        55
+   N_TTR_8   CB_TTR_8     1 5.380839e-03 2.521742e-05 ; 0.409080  2.870379e-01     0.662843        0.000678      0.004451  9.945528e-03       False fibril_MD        54        56
+   N_TTR_8   OG_TTR_8     1 5.807444e-04 3.266395e-07 ; 0.287308  2.581317e-01     0.310309        0.000468      0.004451  1.097429e-02       False fibril_MD        54        57
+   N_TTR_8    C_TTR_8     1 2.618012e-03 1.385709e-05 ; 0.417462  1.236549e-01     0.014934        0.000014      0.004451  1.097414e-02       False fibril_MD        54        58
+   N_TTR_8    O_TTR_8     1 2.433986e-03 7.061939e-06 ; 0.377660  2.097260e-01     0.104114        0.000043      0.004451  1.097431e-02       False fibril_MD        54        59
+   N_TTR_8   CA_TTR_9     1 3.666321e-03 4.056970e-05 ; 0.472058  8.283222e-02     0.009104        0.000289      0.004451  2.411251e-04       False fibril_MD        54        61
+   N_TTR_8   CB_TTR_9     1 0.000000e+00 3.232756e-06 ; 0.348710 -3.232756e-06     0.000000        0.000563      0.004451  2.411251e-04       False fibril_MD        54        62
+   N_TTR_8   CG_TTR_9     1 0.000000e+00 3.232756e-06 ; 0.348710 -3.232756e-06     0.002230        0.000925      0.004451  2.411251e-04       False fibril_MD        54        63
+   N_TTR_8   CD_TTR_9     1 3.684935e-03 1.929000e-05 ; 0.416694  1.759817e-01     0.648163        0.000425      0.004451  2.411251e-04       False fibril_MD        54        64
+   N_TTR_8 CE1_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000497      0.004451  2.411251e-04       False fibril_MD        54        73
+   N_TTR_8 CE2_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000475      0.004451  2.411251e-04       False fibril_MD        54        74
+   N_TTR_8  CZ_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000420      0.004451  2.411251e-04       False fibril_MD        54        75
+   N_TTR_8  OH_TTR_10     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000000        0.000665      0.004451  2.411251e-04       False fibril_MD        54        76
    N_TTR_8   C_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000000      0.001408  3.126285e-10        True native_MD        54        77
    N_TTR_8  CB_TTR_11     1 1.297521e-03 2.640309e-06 ; 0.355978  1.594095e-01     0.109338        0.006760      0.001408  7.688416e-03        True native_MD        54        81
    N_TTR_8  OG_TTR_11     1 2.672033e-04 1.142934e-07 ; 0.274492  1.561717e-01     0.080102        0.004009      0.001408  9.187803e-03        True native_MD        54        82
    N_TTR_8  O1_TTR_11     1 1.566383e-04 5.865249e-08 ; 0.268471  1.045802e-01     0.007126        0.000150      0.001408  9.187899e-03        True native_MD        54        84
    N_TTR_8  O2_TTR_11     1 1.566383e-04 5.865249e-08 ; 0.268471  1.045802e-01     0.007126        0.000150      0.001408  9.187899e-03        True native_MD        54        85
-  CA_TTR_8   CA_TTR_8     1 6.632270e-03 3.791994e-05 ; 0.422864  2.899992e-01     0.999996        0.000119      0.004451  7.281617e-03       False fibril_MD        55        55
-  CA_TTR_8   CB_TTR_8     1 7.403679e-03 4.647724e-05 ; 0.429502  2.948457e-01     0.999568        0.000334      0.004451  8.099766e-03       False fibril_MD        55        56
-  CA_TTR_8   OG_TTR_8     1 3.038146e-03 7.819413e-06 ; 0.370192  2.951095e-01     0.901635        0.000247      0.004451  8.927088e-03       False fibril_MD        55        57
-  CA_TTR_8    C_TTR_8     1 3.568037e-03 1.062691e-05 ; 0.379312  2.994966e-01     0.999976        0.000004      0.004451  8.926971e-03       False fibril_MD        55        58
-  CA_TTR_8    O_TTR_8     1 8.469174e-04 5.987254e-07 ; 0.298468  2.994983e-01     1.000000        0.000011      0.004451  8.927106e-03       False fibril_MD        55        59
-  CA_TTR_8    N_TTR_9     1 7.787877e-03 5.120865e-05 ; 0.432833  2.960976e-01     0.922907        0.000000      0.004451  8.927042e-03       False fibril_MD        55        60
-  CA_TTR_8   CA_TTR_9     1 1.102864e-02 1.048588e-04 ; 0.460271  2.899873e-01     0.999703        0.000155      0.004451  7.281617e-03       False fibril_MD        55        61
-  CA_TTR_8   CB_TTR_9     1 1.047436e-02 1.575750e-04 ; 0.496852  1.740635e-01     0.339500        0.000237      0.004451  2.411251e-04       False fibril_MD        55        62
-  CA_TTR_8   CG_TTR_9     1 1.286657e-02 2.470018e-04 ; 0.517455  1.675581e-01     0.439184        0.000409      0.004451  2.411251e-04       False fibril_MD        55        63
-  CA_TTR_8   CD_TTR_9     1 1.188054e-02 1.196993e-04 ; 0.464739  2.947957e-01     0.998457        0.000193      0.004451  8.099101e-03       False fibril_MD        55        64
-  CA_TTR_8    C_TTR_9     1 7.013497e-03 1.009354e-04 ; 0.493194  1.218332e-01     0.038553        0.000010      0.004451  2.411251e-04       False fibril_MD        55        65
-  CA_TTR_8    O_TTR_9     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000109        0.000028      0.004451  2.411251e-04       False fibril_MD        55        66
-  CA_TTR_8   N_TTR_10     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000926        0.000010      0.004451  2.411251e-04       False fibril_MD        55        67
-  CA_TTR_8  CA_TTR_10     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000255        0.000165      0.004451  2.411251e-04       False fibril_MD        55        68
-  CA_TTR_8  CB_TTR_10     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.001083        0.000259      0.004451  2.411251e-04       False fibril_MD        55        69
-  CA_TTR_8  CG_TTR_10     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.001473        0.000081      0.004451  2.411251e-04       False fibril_MD        55        70
-  CA_TTR_8 CD1_TTR_10     1 6.939168e-03 6.473679e-05 ; 0.458818  1.859532e-01     0.557071        0.000232      0.004451  2.411251e-04       False fibril_MD        55        71
-  CA_TTR_8 CD2_TTR_10     1 6.939168e-03 6.473679e-05 ; 0.458818  1.859532e-01     0.557071        0.000232      0.004451  2.411251e-04       False fibril_MD        55        72
-  CA_TTR_8 CE1_TTR_10     1 5.546766e-03 4.426059e-05 ; 0.447023  1.737811e-01     0.349271        0.000251      0.004451  2.411251e-04       False fibril_MD        55        73
-  CA_TTR_8 CE2_TTR_10     1 5.546766e-03 4.426059e-05 ; 0.447023  1.737811e-01     0.349271        0.000251      0.004451  2.411251e-04       False fibril_MD        55        74
-  CA_TTR_8  CZ_TTR_10     1 5.513306e-03 7.270052e-05 ; 0.486057  1.045266e-01     0.018750        0.000222      0.004451  2.411251e-04       False fibril_MD        55        75
-  CA_TTR_8  OH_TTR_10     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.002342        0.000305      0.004451  2.411251e-04       False fibril_MD        55        76
-  CA_TTR_8   C_TTR_10     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000026      0.004451  2.411251e-04       False fibril_MD        55        77
-  CA_TTR_8   O_TTR_10     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000069      0.004451  2.411251e-04       False fibril_MD        55        78
+  CA_TTR_8   CA_TTR_8     1 6.632270e-03 3.791994e-05 ; 0.422864  2.899992e-01     0.999996        0.001200      0.004451  7.281617e-03       False fibril_MD        55        55
+  CA_TTR_8   CB_TTR_8     1 7.403679e-03 4.647724e-05 ; 0.429502  2.948457e-01     0.999568        0.002300      0.004451  8.099766e-03       False fibril_MD        55        56
+  CA_TTR_8   OG_TTR_8     1 3.038146e-03 7.819413e-06 ; 0.370192  2.951095e-01     0.901635        0.001620      0.004451  8.927088e-03       False fibril_MD        55        57
+  CA_TTR_8    C_TTR_8     1 3.568037e-03 1.062691e-05 ; 0.379312  2.994966e-01     0.999976        0.000315      0.004451  8.926971e-03       False fibril_MD        55        58
+  CA_TTR_8    O_TTR_8     1 8.469174e-04 5.987254e-07 ; 0.298468  2.994983e-01     1.000000        0.000410      0.004451  8.927106e-03       False fibril_MD        55        59
+  CA_TTR_8    N_TTR_9     1 7.787877e-03 5.120865e-05 ; 0.432833  2.960976e-01     0.922907        0.000154      0.004451  8.927042e-03       False fibril_MD        55        60
+  CA_TTR_8   CA_TTR_9     1 1.102864e-02 1.048588e-04 ; 0.460271  2.899873e-01     0.999703        0.002520      0.004451  7.281617e-03       False fibril_MD        55        61
+  CA_TTR_8   CB_TTR_9     1 6.872094e-03 1.033830e-04 ; 0.496852  1.142008e-01     0.339500        0.002918      0.004451  2.411251e-04       False fibril_MD        55        62
+  CA_TTR_8   CG_TTR_9     1 8.905516e-03 1.709608e-04 ; 0.517455  1.159743e-01     0.439184        0.003506      0.004451  2.411251e-04       False fibril_MD        55        63
+  CA_TTR_8   CD_TTR_9     1 1.188054e-02 1.196993e-04 ; 0.464739  2.947957e-01     0.998457        0.002063      0.004451  8.099101e-03       False fibril_MD        55        64
+  CA_TTR_8    C_TTR_9     1 6.067724e-03 8.732421e-05 ; 0.493194  1.054040e-01     0.038553        0.000478      0.004451  2.411251e-04       False fibril_MD        55        65
+  CA_TTR_8    O_TTR_9     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000109        0.000630      0.004451  2.411251e-04       False fibril_MD        55        66
+  CA_TTR_8   N_TTR_10     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000926        0.000331      0.004451  2.411251e-04       False fibril_MD        55        67
+  CA_TTR_8  CA_TTR_10     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000255        0.002163      0.004451  2.411251e-04       False fibril_MD        55        68
+  CA_TTR_8  CB_TTR_10     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.001083        0.002369      0.004451  2.411251e-04       False fibril_MD        55        69
+  CA_TTR_8  CG_TTR_10     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.001473        0.001258      0.004451  2.411251e-04       False fibril_MD        55        70
+  CA_TTR_8 CD1_TTR_10     1 5.126752e-03 4.782842e-05 ; 0.458818  1.373848e-01     0.557071        0.001823      0.004451  2.411251e-04       False fibril_MD        55        71
+  CA_TTR_8 CD2_TTR_10     1 5.126752e-03 4.782842e-05 ; 0.458818  1.373848e-01     0.557071        0.001823      0.004451  2.411251e-04       False fibril_MD        55        72
+  CA_TTR_8 CE1_TTR_10     1 3.851533e-03 3.073343e-05 ; 0.447023  1.206691e-01     0.349271        0.002293      0.004451  2.411251e-04       False fibril_MD        55        73
+  CA_TTR_8 CE2_TTR_10     1 3.851533e-03 3.073343e-05 ; 0.447023  1.206691e-01     0.349271        0.002293      0.004451  2.411251e-04       False fibril_MD        55        74
+  CA_TTR_8  CZ_TTR_10     1 0.000000e+00 2.610373e-04 ; 0.502796 -2.610373e-04     0.018750        0.002279      0.004451  2.411251e-04       False fibril_MD        55        75
+  CA_TTR_8  OH_TTR_10     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.002342        0.002297      0.004451  2.411251e-04       False fibril_MD        55        76
+  CA_TTR_8   C_TTR_10     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000617      0.004451  2.411251e-04       False fibril_MD        55        77
+  CA_TTR_8   O_TTR_10     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000000        0.000852      0.004451  2.411251e-04       False fibril_MD        55        78
   CA_TTR_8  O1_TTR_11     1 7.243855e-04 1.083105e-06 ; 0.338156  1.211181e-01     0.018798        0.002527      0.001408  6.281320e-03        True native_MD        55        84
   CA_TTR_8  O2_TTR_11     1 7.243855e-04 1.083105e-06 ; 0.338156  1.211181e-01     0.018798        0.002527      0.001408  6.281320e-03        True native_MD        55        85
-  CB_TTR_8   CB_TTR_8     1 5.055169e-03 2.131576e-05 ; 0.401940  2.997165e-01     0.993562        0.000357      0.004451  9.017767e-03       False fibril_MD        56        56
-  CB_TTR_8   OG_TTR_8     1 1.519167e-03 1.905861e-06 ; 0.328408  3.027330e-01     0.951799        0.000327      0.004451  9.945580e-03       False fibril_MD        56        57
-  CB_TTR_8    C_TTR_8     1 5.004139e-03 2.064178e-05 ; 0.400470  3.032855e-01     0.964014        0.000042      0.004451  9.945448e-03       False fibril_MD        56        58
-  CB_TTR_8    O_TTR_8     1 1.036491e-03 8.813196e-07 ; 0.307795  3.047459e-01     0.997004        0.000033      0.004451  9.945599e-03       False fibril_MD        56        59
-  CB_TTR_8    N_TTR_9     1 4.541504e-03 2.759502e-05 ; 0.427174  1.868567e-01     0.065828        0.000011      0.004451  9.945528e-03       False fibril_MD        56        60
-  CB_TTR_8   CA_TTR_9     1 1.138226e-02 1.775248e-04 ; 0.499849  1.824476e-01     0.560999        0.000281      0.004451  2.411251e-04       False fibril_MD        56        61
-  CB_TTR_8   CB_TTR_9     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.003426        0.000457      0.004451  2.411251e-04       False fibril_MD        56        62
-  CB_TTR_8   CG_TTR_9     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.000237        0.000624      0.004451  2.411251e-04       False fibril_MD        56        63
-  CB_TTR_8   CD_TTR_9     1 8.256400e-03 1.119929e-04 ; 0.488352  1.521707e-01     0.247209        0.000437      0.004451  2.411251e-04       False fibril_MD        56        64
-  CB_TTR_8    C_TTR_9     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000208        0.000071      0.004451  2.411251e-04       False fibril_MD        56        65
-  CB_TTR_8    O_TTR_9     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000118      0.004451  2.411251e-04       False fibril_MD        56        66
-  CB_TTR_8   N_TTR_10     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000042      0.004451  2.411251e-04       False fibril_MD        56        67
-  CB_TTR_8  CA_TTR_10     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000001        0.000423      0.004451  2.411251e-04       False fibril_MD        56        68
-  CB_TTR_8  CB_TTR_10     1 0.000000e+00 1.543890e-05 ; 0.397239 -1.543890e-05     0.000314        0.000416      0.004451  2.411251e-04       False fibril_MD        56        69
-  CB_TTR_8  CG_TTR_10     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.003451        0.000225      0.004451  2.411251e-04       False fibril_MD        56        70
-  CB_TTR_8 CD1_TTR_10     1 3.711856e-03 1.953811e-05 ; 0.417076  1.762949e-01     0.559333        0.000362      0.004451  2.411251e-04       False fibril_MD        56        71
-  CB_TTR_8 CD2_TTR_10     1 3.711856e-03 1.953811e-05 ; 0.417076  1.762949e-01     0.559333        0.000362      0.004451  2.411251e-04       False fibril_MD        56        72
-  CB_TTR_8 CE1_TTR_10     1 2.185948e-03 7.231487e-06 ; 0.386009  1.651931e-01     0.406742        0.000418      0.004451  2.411251e-04       False fibril_MD        56        73
-  CB_TTR_8 CE2_TTR_10     1 2.185948e-03 7.231487e-06 ; 0.386009  1.651931e-01     0.406742        0.000418      0.004451  2.411251e-04       False fibril_MD        56        74
-  CB_TTR_8  CZ_TTR_10     1 4.864938e-03 4.042518e-05 ; 0.450052  1.463668e-01     0.177688        0.000400      0.004451  2.411251e-04       False fibril_MD        56        75
-  CB_TTR_8  OH_TTR_10     1 1.084098e-03 3.267754e-06 ; 0.380070  8.991416e-02     0.021324        0.000504      0.004451  2.411251e-04       False fibril_MD        56        76
-  CB_TTR_8   C_TTR_10     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000152      0.004451  2.411251e-04       False fibril_MD        56        77
-  CB_TTR_8   O_TTR_10     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000198      0.004451  2.411251e-04       False fibril_MD        56        78
+  CB_TTR_8   CB_TTR_8     1 5.055169e-03 2.131576e-05 ; 0.401940  2.997165e-01     0.993562        0.001625      0.004451  9.017767e-03       False fibril_MD        56        56
+  CB_TTR_8   OG_TTR_8     1 1.519167e-03 1.905861e-06 ; 0.328408  3.027330e-01     0.951799        0.001535      0.004451  9.945580e-03       False fibril_MD        56        57
+  CB_TTR_8    C_TTR_8     1 5.004139e-03 2.064178e-05 ; 0.400470  3.032855e-01     0.964014        0.000915      0.004451  9.945448e-03       False fibril_MD        56        58
+  CB_TTR_8    O_TTR_8     1 1.036491e-03 8.813196e-07 ; 0.307795  3.047459e-01     0.997004        0.000736      0.004451  9.945599e-03       False fibril_MD        56        59
+  CB_TTR_8    N_TTR_9     1 4.541504e-03 2.759502e-05 ; 0.427174  1.868567e-01     0.065828        0.000631      0.004451  9.945528e-03       False fibril_MD        56        60
+  CB_TTR_8   CA_TTR_9     1 7.698512e-03 1.200708e-04 ; 0.499849  1.234003e-01     0.560999        0.003287      0.004451  2.411251e-04       False fibril_MD        56        61
+  CB_TTR_8   CB_TTR_9     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.003426        0.003230      0.004451  2.411251e-04       False fibril_MD        56        62
+  CB_TTR_8   CG_TTR_9     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.000237        0.003634      0.004451  2.411251e-04       False fibril_MD        56        63
+  CB_TTR_8   CD_TTR_9     1 5.925810e-03 8.037991e-05 ; 0.488352  1.092164e-01     0.247209        0.002615      0.004451  2.411251e-04       False fibril_MD        56        64
+  CB_TTR_8    C_TTR_9     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000208        0.001221      0.004451  2.411251e-04       False fibril_MD        56        65
+  CB_TTR_8    O_TTR_9     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000991      0.004451  2.411251e-04       False fibril_MD        56        66
+  CB_TTR_8   N_TTR_10     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000837      0.004451  2.411251e-04       False fibril_MD        56        67
+  CB_TTR_8  CA_TTR_10     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000001        0.003003      0.004451  2.411251e-04       False fibril_MD        56        68
+  CB_TTR_8  CB_TTR_10     1 0.000000e+00 1.543890e-05 ; 0.397239 -1.543890e-05     0.000314        0.002765      0.004451  2.411251e-04       False fibril_MD        56        69
+  CB_TTR_8  CG_TTR_10     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.003451        0.001859      0.004451  2.411251e-04       False fibril_MD        56        70
+  CB_TTR_8 CD1_TTR_10     1 2.795973e-03 1.471717e-05 ; 0.417076  1.327950e-01     0.559333        0.002216      0.004451  2.411251e-04       False fibril_MD        56        71
+  CB_TTR_8 CD2_TTR_10     1 2.795973e-03 1.471717e-05 ; 0.417076  1.327950e-01     0.559333        0.002216      0.004451  2.411251e-04       False fibril_MD        56        72
+  CB_TTR_8 CE1_TTR_10     1 1.614678e-03 5.341630e-06 ; 0.386009  1.220220e-01     0.406742        0.002524      0.004451  2.411251e-04       False fibril_MD        56        73
+  CB_TTR_8 CE2_TTR_10     1 1.614678e-03 5.341630e-06 ; 0.386009  1.220220e-01     0.406742        0.002524      0.004451  2.411251e-04       False fibril_MD        56        74
+  CB_TTR_8  CZ_TTR_10     1 3.340804e-03 2.776040e-05 ; 0.450052  1.005116e-01     0.177688        0.002701      0.004451  2.411251e-04       False fibril_MD        56        75
+  CB_TTR_8  OH_TTR_10     1 0.000000e+00 1.058066e-05 ; 0.384925 -1.058066e-05     0.021324        0.002417      0.004451  2.411251e-04       False fibril_MD        56        76
+  CB_TTR_8   C_TTR_10     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.001308      0.004451  2.411251e-04       False fibril_MD        56        77
+  CB_TTR_8   O_TTR_10     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.001271      0.004451  2.411251e-04       False fibril_MD        56        78
   CB_TTR_8  O1_TTR_11     1 3.606667e-04 2.614415e-07 ; 0.299717  1.243877e-01     0.019877        0.003699      0.001408  7.688572e-03        True native_MD        56        84
   CB_TTR_8  O2_TTR_11     1 3.606667e-04 2.614415e-07 ; 0.299717  1.243877e-01     0.019877        0.003699      0.001408  7.688572e-03        True native_MD        56        85
-  OG_TTR_8   OG_TTR_8     1 2.970871e-04 8.475640e-08 ; 0.256575  2.603365e-01     0.326133        0.000182      0.004451  1.097435e-02       False fibril_MD        57        57
-  OG_TTR_8    C_TTR_8     1 1.949640e-03 3.473110e-06 ; 0.348172  2.736091e-01     0.439994        0.000030      0.004451  1.097420e-02       False fibril_MD        57        58
-  OG_TTR_8    O_TTR_8     1 1.916223e-04 4.804662e-08 ; 0.251113  1.910597e-01     0.689097        0.000031      0.004451  2.411251e-04       False fibril_MD        57        59
-  OG_TTR_8    N_TTR_9     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.003215        0.000008      0.004451  2.411251e-04       False fibril_MD        57        60
-  OG_TTR_8   CA_TTR_9     1 3.952363e-03 2.737702e-05 ; 0.436605  1.426486e-01     0.091745        0.000144      0.004451  2.411251e-04       False fibril_MD        57        61
-  OG_TTR_8   CB_TTR_9     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.000029        0.000259      0.004451  2.411251e-04       False fibril_MD        57        62
-  OG_TTR_8   CG_TTR_9     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.000000        0.000359      0.004451  2.411251e-04       False fibril_MD        57        63
-  OG_TTR_8   CD_TTR_9     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.001032        0.000267      0.004451  2.411251e-04       False fibril_MD        57        64
-  OG_TTR_8    C_TTR_9     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000123        0.000042      0.004451  2.411251e-04       False fibril_MD        57        65
-  OG_TTR_8    O_TTR_9     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000000        0.000105      0.004451  2.411251e-04       False fibril_MD        57        66
-  OG_TTR_8   N_TTR_10     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000105        0.000023      0.004451  2.411251e-04       False fibril_MD        57        67
-  OG_TTR_8  CA_TTR_10     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000026        0.000258      0.004451  2.411251e-04       False fibril_MD        57        68
-  OG_TTR_8  CB_TTR_10     1 0.000000e+00 2.783506e-06 ; 0.344389 -2.783506e-06     0.000137        0.000334      0.004451  2.411251e-04       False fibril_MD        57        69
-  OG_TTR_8  CG_TTR_10     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.002262        0.000185      0.004451  2.411251e-04       False fibril_MD        57        70
-  OG_TTR_8 CD1_TTR_10     1 7.637153e-04 1.014564e-06 ; 0.331557  1.437220e-01     0.107031        0.000269      0.004451  2.411251e-04       False fibril_MD        57        71
-  OG_TTR_8 CD2_TTR_10     1 7.637153e-04 1.014564e-06 ; 0.331557  1.437220e-01     0.107031        0.000269      0.004451  2.411251e-04       False fibril_MD        57        72
-  OG_TTR_8 CE1_TTR_10     1 6.997593e-04 7.179120e-07 ; 0.317580  1.705164e-01     0.349806        0.000288      0.004451  2.411251e-04       False fibril_MD        57        73
-  OG_TTR_8 CE2_TTR_10     1 6.997593e-04 7.179120e-07 ; 0.317580  1.705164e-01     0.349806        0.000288      0.004451  2.411251e-04       False fibril_MD        57        74
-  OG_TTR_8  CZ_TTR_10     1 9.209754e-04 1.602621e-06 ; 0.346814  1.323138e-01     0.059654        0.000227      0.004451  2.411251e-04       False fibril_MD        57        75
-  OG_TTR_8  OH_TTR_10     1 1.127691e-04 3.779702e-08 ; 0.263559  8.411295e-02     0.011962        0.000360      0.004451  2.411251e-04       False fibril_MD        57        76
-  OG_TTR_8   C_TTR_10     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000129      0.004451  2.411251e-04       False fibril_MD        57        77
-  OG_TTR_8   O_TTR_10     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000000        0.000155      0.004451  2.411251e-04       False fibril_MD        57        78
+  OG_TTR_8   OG_TTR_8     1 2.970871e-04 8.475640e-08 ; 0.256575  2.603365e-01     0.326133        0.000680      0.004451  1.097435e-02       False fibril_MD        57        57
+  OG_TTR_8    C_TTR_8     1 1.949640e-03 3.473110e-06 ; 0.348172  2.736091e-01     0.439994        0.000573      0.004451  1.097420e-02       False fibril_MD        57        58
+  OG_TTR_8    O_TTR_8     1 1.719860e-04 4.312309e-08 ; 0.251113  1.714810e-01     0.689097        0.000545      0.004451  2.411251e-04       False fibril_MD        57        59
+  OG_TTR_8    N_TTR_9     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.003215        0.000389      0.004451  2.411251e-04       False fibril_MD        57        60
+  OG_TTR_8   CA_TTR_9     1 2.554078e-03 1.769145e-05 ; 0.436605  9.218171e-02     0.091745        0.001973      0.004451  2.411251e-04       False fibril_MD        57        61
+  OG_TTR_8   CB_TTR_9     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.000029        0.001991      0.004451  2.411251e-04       False fibril_MD        57        62
+  OG_TTR_8   CG_TTR_9     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.000000        0.002265      0.004451  2.411251e-04       False fibril_MD        57        63
+  OG_TTR_8   CD_TTR_9     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.001032        0.001672      0.004451  2.411251e-04       False fibril_MD        57        64
+  OG_TTR_8    C_TTR_9     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000123        0.000774      0.004451  2.411251e-04       False fibril_MD        57        65
+  OG_TTR_8    O_TTR_9     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000000        0.000788      0.004451  2.411251e-04       False fibril_MD        57        66
+  OG_TTR_8   N_TTR_10     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000105        0.000538      0.004451  2.411251e-04       False fibril_MD        57        67
+  OG_TTR_8  CA_TTR_10     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000026        0.001841      0.004451  2.411251e-04       False fibril_MD        57        68
+  OG_TTR_8  CB_TTR_10     1 0.000000e+00 2.783506e-06 ; 0.344389 -2.783506e-06     0.000137        0.001806      0.004451  2.411251e-04       False fibril_MD        57        69
+  OG_TTR_8  CG_TTR_10     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.002262        0.001119      0.004451  2.411251e-04       False fibril_MD        57        70
+  OG_TTR_8 CD1_TTR_10     1 5.595264e-04 7.433079e-07 ; 0.331557  1.052961e-01     0.107031        0.001333      0.004451  2.411251e-04       False fibril_MD        57        71
+  OG_TTR_8 CD2_TTR_10     1 5.595264e-04 7.433079e-07 ; 0.331557  1.052961e-01     0.107031        0.001333      0.004451  2.411251e-04       False fibril_MD        57        72
+  OG_TTR_8 CE1_TTR_10     1 5.308045e-04 5.445743e-07 ; 0.317580  1.293457e-01     0.349806        0.001600      0.004451  2.411251e-04       False fibril_MD        57        73
+  OG_TTR_8 CE2_TTR_10     1 5.308045e-04 5.445743e-07 ; 0.317580  1.293457e-01     0.349806        0.001600      0.004451  2.411251e-04       False fibril_MD        57        74
+  OG_TTR_8  CZ_TTR_10     1 6.015113e-04 1.046710e-06 ; 0.346814  8.641738e-02     0.059654        0.001631      0.004451  2.411251e-04       False fibril_MD        57        75
+  OG_TTR_8  OH_TTR_10     1 0.000000e+00 5.018430e-08 ; 0.246442 -5.018430e-08     0.011962        0.001564      0.004451  2.411251e-04       False fibril_MD        57        76
+  OG_TTR_8   C_TTR_10     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000807      0.004451  2.411251e-04       False fibril_MD        57        77
+  OG_TTR_8   O_TTR_10     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000000        0.000924      0.004451  2.411251e-04       False fibril_MD        57        78
   OG_TTR_8   N_TTR_11     1 2.732198e-04 1.129447e-07 ; 0.272935  1.652336e-01     0.122522        0.006476      0.001408  9.187803e-03        True native_MD        57        79
   OG_TTR_8   C_TTR_11     1 5.972222e-04 6.876807e-07 ; 0.323749  1.296657e-01     0.023109        0.003432      0.001408  9.187671e-03        True native_MD        57        83
   OG_TTR_8  O1_TTR_11     1 1.898551e-04 7.741175e-08 ; 0.272310  1.164066e-01     0.012408        0.002523      0.001408  9.187984e-03        True native_MD        57        84
   OG_TTR_8  O2_TTR_11     1 1.898551e-04 7.741175e-08 ; 0.272310  1.164066e-01     0.012408        0.002523      0.001408  9.187984e-03        True native_MD        57        85
-   C_TTR_8    C_TTR_8     1 6.466519e-03 3.441208e-05 ; 0.417837  3.037877e-01     0.869256        0.000000      0.004451  1.097406e-02       False fibril_MD        58        58
-   C_TTR_8    O_TTR_8     1 1.669757e-03 2.250549e-06 ; 0.332358  3.097121e-01     0.993547        0.000000      0.004451  1.097422e-02       False fibril_MD        58        59
+   C_TTR_8    C_TTR_8     1 6.466519e-03 3.441208e-05 ; 0.417837  3.037877e-01     0.869256        0.000001      0.004451  1.097406e-02       False fibril_MD        58        58
+   C_TTR_8    O_TTR_8     1 1.669757e-03 2.250549e-06 ; 0.332358  3.097121e-01     0.993547        0.000039      0.004451  1.097422e-02       False fibril_MD        58        59
    C_TTR_8    N_TTR_9     1 4.680365e-03 1.835041e-05 ; 0.397095  2.984376e-01     0.770412        0.000000      0.004451  1.097414e-02       False fibril_MD        58        60
-   C_TTR_8   CA_TTR_9     1 1.071515e-02 9.609012e-05 ; 0.455806  2.987154e-01     0.981715        0.000007      0.004451  8.926971e-03       False fibril_MD        58        61
-   C_TTR_8   CB_TTR_9     1 7.195581e-03 6.095715e-05 ; 0.451502  2.123475e-01     0.118481        0.000041      0.004451  9.944620e-03       False fibril_MD        58        62
-   C_TTR_8   CG_TTR_9     1 7.474887e-03 4.728222e-05 ; 0.430047  2.954279e-01     0.804368        0.000053      0.004451  9.944620e-03       False fibril_MD        58        63
-   C_TTR_8   CD_TTR_9     1 2.723174e-03 6.083793e-06 ; 0.361562  3.047307e-01     0.996771        0.000013      0.004451  9.944620e-03       False fibril_MD        58        64
-   C_TTR_8    C_TTR_9     1 2.761536e-03 1.898768e-05 ; 0.436067  1.004083e-01     0.008839        0.000000      0.004451  1.097406e-02       False fibril_MD        58        65
-   C_TTR_8    O_TTR_9     1 2.196784e-03 7.269951e-06 ; 0.386033  1.659522e-01     0.242168        0.000002      0.004451  2.411251e-04       False fibril_MD        58        66
-   C_TTR_8   N_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000009        0.000000      0.004451  2.411251e-04       False fibril_MD        58        67
-   C_TTR_8  CA_TTR_10     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        58        68
-   C_TTR_8  CB_TTR_10     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000061        0.000015      0.004451  2.411251e-04       False fibril_MD        58        69
-   C_TTR_8  CG_TTR_10     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        58        70
-   C_TTR_8 CD1_TTR_10     1 3.124388e-03 1.712302e-05 ; 0.419890  1.425245e-01     0.091272        0.000025      0.004451  2.411251e-04       False fibril_MD        58        71
-   C_TTR_8 CD2_TTR_10     1 3.124388e-03 1.712302e-05 ; 0.419890  1.425245e-01     0.091272        0.000025      0.004451  2.411251e-04       False fibril_MD        58        72
-   C_TTR_8 CE1_TTR_10     1 2.582907e-03 1.383524e-05 ; 0.418292  1.205510e-01     0.036548        0.000037      0.004451  2.411251e-04       False fibril_MD        58        73
-   C_TTR_8 CE2_TTR_10     1 2.582907e-03 1.383524e-05 ; 0.418292  1.205510e-01     0.036548        0.000037      0.004451  2.411251e-04       False fibril_MD        58        74
-   C_TTR_8  CZ_TTR_10     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000098        0.000010      0.004451  2.411251e-04       False fibril_MD        58        75
-   C_TTR_8  OH_TTR_10     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000033        0.000035      0.004451  2.411251e-04       False fibril_MD        58        76
-   C_TTR_8   C_TTR_10     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        58        77
-   C_TTR_8   O_TTR_10     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000006      0.004451  2.411251e-04       False fibril_MD        58        78
-   O_TTR_8    O_TTR_8     1 3.629380e-03 1.665425e-05 ; 0.407645  1.977334e-01     0.909913        0.000000      0.004451  2.411251e-04       False fibril_MD        59        59
-   O_TTR_8    N_TTR_9     1 1.307271e-03 1.391084e-06 ; 0.319520  3.071268e-01     0.937245        0.000000      0.004451  1.097431e-02       False fibril_MD        59        60
-   O_TTR_8   CA_TTR_9     1 5.805543e-03 2.861707e-05 ; 0.412538  2.944425e-01     0.887556        0.000016      0.004451  8.927106e-03       False fibril_MD        59        61
-   O_TTR_8   CB_TTR_9     1 2.638094e-03 1.223593e-05 ; 0.408374  1.421947e-01     0.090027        0.000045      0.004451  2.411251e-04       False fibril_MD        59        62
-   O_TTR_8   CG_TTR_9     1 2.555979e-03 8.668341e-06 ; 0.387611  1.884163e-01     0.617256        0.000051      0.004451  2.411251e-04       False fibril_MD        59        63
-   O_TTR_8   CD_TTR_9     1 1.095366e-03 9.862358e-07 ; 0.310745  3.041431e-01     0.983342        0.000022      0.004451  9.944771e-03       False fibril_MD        59        64
-   O_TTR_8    C_TTR_9     1 2.072808e-03 6.218163e-06 ; 0.379767  1.727412e-01     0.321308        0.000000      0.004451  2.411251e-04       False fibril_MD        59        65
-   O_TTR_8    O_TTR_9     1 8.544469e-04 9.127780e-07 ; 0.319728  1.999609e-01     0.998372        0.000028      0.004451  2.411251e-04       False fibril_MD        59        66
-   O_TTR_8   N_TTR_10     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        59        67
-   O_TTR_8  CA_TTR_10     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000105        0.000005      0.004451  2.411251e-04       False fibril_MD        59        68
-   O_TTR_8  CB_TTR_10     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000022      0.004451  2.411251e-04       False fibril_MD        59        69
-   O_TTR_8  CG_TTR_10     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000005        0.000005      0.004451  2.411251e-04       False fibril_MD        59        70
-   O_TTR_8 CD1_TTR_10     1 1.150614e-03 2.489821e-06 ; 0.359644  1.329325e-01     0.061211        0.000022      0.004451  2.411251e-04       False fibril_MD        59        71
-   O_TTR_8 CD2_TTR_10     1 1.150614e-03 2.489821e-06 ; 0.359644  1.329325e-01     0.061211        0.000022      0.004451  2.411251e-04       False fibril_MD        59        72
-   O_TTR_8 CE1_TTR_10     1 6.662747e-04 8.472130e-07 ; 0.329147  1.309948e-01     0.056465        0.000041      0.004451  2.411251e-04       False fibril_MD        59        73
-   O_TTR_8 CE2_TTR_10     1 6.662747e-04 8.472130e-07 ; 0.329147  1.309948e-01     0.056465        0.000041      0.004451  2.411251e-04       False fibril_MD        59        74
-   O_TTR_8  CZ_TTR_10     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.001200        0.000035      0.004451  2.411251e-04       False fibril_MD        59        75
-   O_TTR_8  OH_TTR_10     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000386        0.000077      0.004451  2.411251e-04       False fibril_MD        59        76
-   O_TTR_8   C_TTR_10     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        59        77
+   C_TTR_8   CA_TTR_9     1 1.071515e-02 9.609012e-05 ; 0.455806  2.987154e-01     0.981715        0.000369      0.004451  8.926971e-03       False fibril_MD        58        61
+   C_TTR_8   CB_TTR_9     1 7.195581e-03 6.095715e-05 ; 0.451502  2.123475e-01     0.118481        0.000788      0.004451  9.944620e-03       False fibril_MD        58        62
+   C_TTR_8   CG_TTR_9     1 7.474887e-03 4.728222e-05 ; 0.430047  2.954279e-01     0.804368        0.001114      0.004451  9.944620e-03       False fibril_MD        58        63
+   C_TTR_8   CD_TTR_9     1 2.723174e-03 6.083793e-06 ; 0.361562  3.047307e-01     0.996771        0.000528      0.004451  9.944620e-03       False fibril_MD        58        64
+   C_TTR_8    C_TTR_9     1 2.761536e-03 1.898768e-05 ; 0.436067  1.004083e-01     0.008839        0.000005      0.004451  1.097406e-02       False fibril_MD        58        65
+   C_TTR_8    O_TTR_9     1 2.196784e-03 7.269951e-06 ; 0.386033  1.659522e-01     0.242168        0.000060      0.004451  2.411251e-04       False fibril_MD        58        66
+   C_TTR_8   N_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000009        0.000007      0.004451  2.411251e-04       False fibril_MD        58        67
+   C_TTR_8  CA_TTR_10     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000182      0.004451  2.411251e-04       False fibril_MD        58        68
+   C_TTR_8  CB_TTR_10     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000061        0.000479      0.004451  2.411251e-04       False fibril_MD        58        69
+   C_TTR_8  CG_TTR_10     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000172      0.004451  2.411251e-04       False fibril_MD        58        70
+   C_TTR_8 CD1_TTR_10     1 2.839885e-03 1.556382e-05 ; 0.419890  1.295464e-01     0.091272        0.000414      0.004451  2.411251e-04       False fibril_MD        58        71
+   C_TTR_8 CD2_TTR_10     1 2.839885e-03 1.556382e-05 ; 0.419890  1.295464e-01     0.091272        0.000414      0.004451  2.411251e-04       False fibril_MD        58        72
+   C_TTR_8 CE1_TTR_10     1 2.126105e-03 1.138840e-05 ; 0.418292  9.923086e-02     0.036548        0.000586      0.004451  2.411251e-04       False fibril_MD        58        73
+   C_TTR_8 CE2_TTR_10     1 2.126105e-03 1.138840e-05 ; 0.418292  9.923086e-02     0.036548        0.000586      0.004451  2.411251e-04       False fibril_MD        58        74
+   C_TTR_8  CZ_TTR_10     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000098        0.000516      0.004451  2.411251e-04       False fibril_MD        58        75
+   C_TTR_8  OH_TTR_10     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000033        0.000725      0.004451  2.411251e-04       False fibril_MD        58        76
+   C_TTR_8   C_TTR_10     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000025      0.004451  2.411251e-04       False fibril_MD        58        77
+   C_TTR_8   O_TTR_10     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000115      0.004451  2.411251e-04       False fibril_MD        58        78
+   O_TTR_8    O_TTR_8     1 3.629380e-03 1.665425e-05 ; 0.407645  1.977334e-01     0.909913        0.000102      0.004451  2.411251e-04       False fibril_MD        59        59
+   O_TTR_8    N_TTR_9     1 1.307271e-03 1.391084e-06 ; 0.319520  3.071268e-01     0.937245        0.000045      0.004451  1.097431e-02       False fibril_MD        59        60
+   O_TTR_8   CA_TTR_9     1 5.805543e-03 2.861707e-05 ; 0.412538  2.944425e-01     0.887556        0.000354      0.004451  8.927106e-03       False fibril_MD        59        61
+   O_TTR_8   CB_TTR_9     1 2.192965e-03 1.017134e-05 ; 0.408374  1.182020e-01     0.090027        0.000655      0.004451  2.411251e-04       False fibril_MD        59        62
+   O_TTR_8   CG_TTR_9     1 2.127735e-03 7.215996e-06 ; 0.387611  1.568479e-01     0.617256        0.000898      0.004451  2.411251e-04       False fibril_MD        59        63
+   O_TTR_8   CD_TTR_9     1 1.095366e-03 9.862358e-07 ; 0.310745  3.041431e-01     0.983342        0.000516      0.004451  9.944771e-03       False fibril_MD        59        64
+   O_TTR_8    C_TTR_9     1 2.072808e-03 6.218163e-06 ; 0.379767  1.727412e-01     0.321308        0.000035      0.004451  2.411251e-04       False fibril_MD        59        65
+   O_TTR_8    O_TTR_9     1 8.176954e-04 8.735176e-07 ; 0.319728  1.913602e-01     0.998372        0.000345      0.004451  2.411251e-04       False fibril_MD        59        66
+   O_TTR_8   N_TTR_10     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000023      0.004451  2.411251e-04       False fibril_MD        59        67
+   O_TTR_8  CA_TTR_10     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000105        0.000208      0.004451  2.411251e-04       False fibril_MD        59        68
+   O_TTR_8  CB_TTR_10     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000379      0.004451  2.411251e-04       False fibril_MD        59        69
+   O_TTR_8  CG_TTR_10     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000005        0.000264      0.004451  2.411251e-04       False fibril_MD        59        70
+   O_TTR_8 CD1_TTR_10     1 1.019114e-03 2.205267e-06 ; 0.359644  1.177400e-01     0.061211        0.000454      0.004451  2.411251e-04       False fibril_MD        59        71
+   O_TTR_8 CD2_TTR_10     1 1.019114e-03 2.205267e-06 ; 0.359644  1.177400e-01     0.061211        0.000454      0.004451  2.411251e-04       False fibril_MD        59        72
+   O_TTR_8 CE1_TTR_10     1 5.511446e-04 7.008173e-07 ; 0.329147  1.083593e-01     0.056465        0.000619      0.004451  2.411251e-04       False fibril_MD        59        73
+   O_TTR_8 CE2_TTR_10     1 5.511446e-04 7.008173e-07 ; 0.329147  1.083593e-01     0.056465        0.000619      0.004451  2.411251e-04       False fibril_MD        59        74
+   O_TTR_8  CZ_TTR_10     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.001200        0.000651      0.004451  2.411251e-04       False fibril_MD        59        75
+   O_TTR_8  OH_TTR_10     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000386        0.000746      0.004451  2.411251e-04       False fibril_MD        59        76
+   O_TTR_8   C_TTR_10     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000059      0.004451  2.411251e-04       False fibril_MD        59        77
    O_TTR_8   O_TTR_10     1 0.000000e+00 3.000001e-06 ; 0.346545 -3.000001e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        59        78
    O_TTR_8   C_TTR_11     1 4.848710e-04 3.810526e-07 ; 0.303780  1.542437e-01     0.073178        0.008739      0.001408  9.187704e-03        True native_MD        59        83
    O_TTR_8  O1_TTR_11     1 0.000000e+00 2.428469e-06 ; 0.340495 -2.428469e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        59        84
    O_TTR_8  O2_TTR_11     1 0.000000e+00 2.428469e-06 ; 0.340495 -2.428469e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        59        85
    N_TTR_9    N_TTR_9     1 2.995983e-03 1.093438e-05 ; 0.392382  2.052222e-01     0.094055        0.000000      0.004451  1.097423e-02       False fibril_MD        60        60
-   N_TTR_9   CA_TTR_9     1 4.347019e-03 1.577532e-05 ; 0.392011  2.994641e-01     0.999202        0.000011      0.004451  8.927042e-03       False fibril_MD        60        61
-   N_TTR_9   CB_TTR_9     1 5.935715e-03 3.168569e-05 ; 0.418053  2.779860e-01     0.538049        0.000034      0.004451  9.944700e-03       False fibril_MD        60        62
-   N_TTR_9   CG_TTR_9     1 4.943412e-03 2.039264e-05 ; 0.400474  2.995850e-01     0.885263        0.000068      0.004451  9.944700e-03       False fibril_MD        60        63
-   N_TTR_9   CD_TTR_9     1 2.823469e-03 6.540391e-06 ; 0.363750  3.047209e-01     0.996536        0.000014      0.004451  9.944700e-03       False fibril_MD        60        64
-   N_TTR_9    O_TTR_9     1 2.328819e-03 6.627971e-06 ; 0.376450  2.045648e-01     0.092670        0.000000      0.004451  1.097431e-02       False fibril_MD        60        66
-   N_TTR_9  CA_TTR_10     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000024        0.000000      0.004451  2.411251e-04       False fibril_MD        60        68
-   N_TTR_9  CB_TTR_10     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000087        0.000001      0.004451  2.411251e-04       False fibril_MD        60        69
-   N_TTR_9  CG_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        60        70
-   N_TTR_9 CD1_TTR_10     1 1.639062e-03 6.881951e-06 ; 0.401655  9.759311e-02     0.014047        0.000008      0.004451  2.411251e-04       False fibril_MD        60        71
-   N_TTR_9 CD2_TTR_10     1 1.639062e-03 6.881951e-06 ; 0.401655  9.759311e-02     0.014047        0.000008      0.004451  2.411251e-04       False fibril_MD        60        72
-   N_TTR_9 CE1_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000822        0.000013      0.004451  2.411251e-04       False fibril_MD        60        73
-   N_TTR_9 CE2_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000803        0.000015      0.004451  2.411251e-04       False fibril_MD        60        74
-   N_TTR_9  CZ_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000005      0.004451  2.411251e-04       False fibril_MD        60        75
+   N_TTR_9   CA_TTR_9     1 4.347019e-03 1.577532e-05 ; 0.392011  2.994641e-01     0.999202        0.000238      0.004451  8.927042e-03       False fibril_MD        60        61
+   N_TTR_9   CB_TTR_9     1 5.935715e-03 3.168569e-05 ; 0.418053  2.779860e-01     0.538049        0.000516      0.004451  9.944700e-03       False fibril_MD        60        62
+   N_TTR_9   CG_TTR_9     1 4.943412e-03 2.039264e-05 ; 0.400474  2.995850e-01     0.885263        0.000745      0.004451  9.944700e-03       False fibril_MD        60        63
+   N_TTR_9   CD_TTR_9     1 2.823469e-03 6.540391e-06 ; 0.363750  3.047209e-01     0.996536        0.000316      0.004451  9.944700e-03       False fibril_MD        60        64
+   N_TTR_9    O_TTR_9     1 2.328819e-03 6.627971e-06 ; 0.376450  2.045648e-01     0.092670        0.000077      0.004451  1.097431e-02       False fibril_MD        60        66
+   N_TTR_9  CA_TTR_10     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000024        0.000148      0.004451  2.411251e-04       False fibril_MD        60        68
+   N_TTR_9  CB_TTR_10     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000087        0.000362      0.004451  2.411251e-04       False fibril_MD        60        69
+   N_TTR_9  CG_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000065      0.004451  2.411251e-04       False fibril_MD        60        70
+   N_TTR_9 CD1_TTR_10     1 1.563252e-03 6.563647e-06 ; 0.401655  9.307924e-02     0.014047        0.000291      0.004451  2.411251e-04       False fibril_MD        60        71
+   N_TTR_9 CD2_TTR_10     1 1.563252e-03 6.563647e-06 ; 0.401655  9.307924e-02     0.014047        0.000291      0.004451  2.411251e-04       False fibril_MD        60        72
+   N_TTR_9 CE1_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000822        0.000405      0.004451  2.411251e-04       False fibril_MD        60        73
+   N_TTR_9 CE2_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000803        0.000384      0.004451  2.411251e-04       False fibril_MD        60        74
+   N_TTR_9  CZ_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000253      0.004451  2.411251e-04       False fibril_MD        60        75
    N_TTR_9  OH_TTR_10     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000000        0.000000      0.001408  3.126285e-10        True native_MD        60        76
-   N_TTR_9   C_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        60        77
-   N_TTR_9   O_TTR_10     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000003      0.004451  2.411251e-04       False fibril_MD        60        78
-   N_TTR_9   N_TTR_11     1 0.000000e+00 8.752940e-07 ; 0.312737 -8.752940e-07     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        60        79
-   N_TTR_9  CA_TTR_11     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000014      0.004451  2.411251e-04       False fibril_MD        60        80
-   N_TTR_9  CB_TTR_11     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000051      0.004451  2.411251e-04       False fibril_MD        60        81
-   N_TTR_9  OG_TTR_11     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000000        0.000034      0.004451  2.411251e-04       False fibril_MD        60        82
-  CA_TTR_9   CA_TTR_9     1 7.130479e-03 4.383113e-05 ; 0.428000  2.899978e-01     0.999963        0.000200      0.004451  7.281617e-03       False fibril_MD        61        61
-  CA_TTR_9   CB_TTR_9     1 5.629472e-03 2.687108e-05 ; 0.410333  2.948426e-01     0.999586        0.000389      0.004451  8.099101e-03       False fibril_MD        61        62
-  CA_TTR_9   CG_TTR_9     1 2.372293e-03 4.771586e-06 ; 0.355290  2.948588e-01     0.999975        0.000568      0.004451  8.099101e-03       False fibril_MD        61        63
-  CA_TTR_9   CD_TTR_9     1 2.094004e-03 3.717756e-06 ; 0.347977  2.948588e-01     0.999976        0.000314      0.004451  8.099101e-03       False fibril_MD        61        64
-  CA_TTR_9    C_TTR_9     1 5.891867e-03 2.897942e-05 ; 0.412388  2.994719e-01     0.999395        0.000036      0.004451  8.926971e-03       False fibril_MD        61        65
-  CA_TTR_9    O_TTR_9     1 9.912973e-04 8.202692e-07 ; 0.306402  2.994963e-01     0.999952        0.000065      0.004451  8.927106e-03       False fibril_MD        61        66
-  CA_TTR_9   N_TTR_10     1 9.938834e-03 8.295720e-05 ; 0.450388  2.976849e-01     0.958126        0.000011      0.004451  8.927042e-03       False fibril_MD        61        67
-  CA_TTR_9  CA_TTR_10     1 3.043720e-02 7.989531e-04 ; 0.545154  2.898866e-01     0.997228        0.000091      0.004451  7.281617e-03       False fibril_MD        61        68
-  CA_TTR_9  CB_TTR_10     1 1.556667e-02 3.361310e-04 ; 0.527698  1.802283e-01     0.438888        0.000129      0.004451  2.411251e-04       False fibril_MD        61        69
-  CA_TTR_9  CG_TTR_10     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000825        0.000039      0.004451  2.411251e-04       False fibril_MD        61        70
-  CA_TTR_9 CD1_TTR_10     1 7.929218e-03 9.730262e-05 ; 0.480267  1.615386e-01     0.201502        0.000120      0.004451  2.411251e-04       False fibril_MD        61        71
-  CA_TTR_9 CD2_TTR_10     1 7.929218e-03 9.730262e-05 ; 0.480267  1.615386e-01     0.201502        0.000120      0.004451  2.411251e-04       False fibril_MD        61        72
-  CA_TTR_9 CE1_TTR_10     1 4.331894e-03 5.066279e-05 ; 0.476433  9.259908e-02     0.011409        0.000184      0.004451  2.411251e-04       False fibril_MD        61        73
-  CA_TTR_9 CE2_TTR_10     1 4.331894e-03 5.066279e-05 ; 0.476433  9.259908e-02     0.011409        0.000184      0.004451  2.411251e-04       False fibril_MD        61        74
-  CA_TTR_9  CZ_TTR_10     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000189        0.000148      0.004451  2.411251e-04       False fibril_MD        61        75
-  CA_TTR_9   C_TTR_10     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000945        0.000029      0.004451  2.411251e-04       False fibril_MD        61        77
-  CA_TTR_9   O_TTR_10     1 3.415277e-03 2.872989e-05 ; 0.450974  1.014981e-01     0.016528        0.000077      0.004451  2.411251e-04       False fibril_MD        61        78
-  CA_TTR_9   N_TTR_11     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000008      0.004451  2.411251e-04       False fibril_MD        61        79
-  CA_TTR_9  CA_TTR_11     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000000        0.000409      0.004451  2.411251e-04       False fibril_MD        61        80
-  CA_TTR_9  CB_TTR_11     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000000        0.000563      0.004451  2.411251e-04       False fibril_MD        61        81
-  CA_TTR_9  OG_TTR_11     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000009        0.000301      0.004451  2.411251e-04       False fibril_MD        61        82
-  CA_TTR_9   C_TTR_11     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000268      0.004451  2.411251e-04       False fibril_MD        61        83
-  CA_TTR_9  O1_TTR_11     1 0.000000e+00 3.362209e-06 ; 0.349853 -3.362209e-06     0.000000        0.000197      0.004451  2.411251e-04       False fibril_MD        61        84
-  CA_TTR_9  O2_TTR_11     1 0.000000e+00 3.362209e-06 ; 0.349853 -3.362209e-06     0.000000        0.000173      0.004451  2.411251e-04       False fibril_MD        61        85
-  CB_TTR_9   CB_TTR_9     1 4.211273e-03 1.485047e-05 ; 0.390141  2.985566e-01     0.966980        0.000386      0.004451  9.016274e-03       False fibril_MD        62        62
-  CB_TTR_9   CG_TTR_9     1 2.237393e-03 4.172595e-06 ; 0.350841  2.999289e-01     0.998733        0.000597      0.004451  9.016274e-03       False fibril_MD        62        63
-  CB_TTR_9   CD_TTR_9     1 3.145283e-03 8.245338e-06 ; 0.371328  2.999514e-01     0.999263        0.000436      0.004451  9.016274e-03       False fibril_MD        62        64
-  CB_TTR_9    C_TTR_9     1 8.575381e-03 6.373499e-05 ; 0.441761  2.884490e-01     0.684828        0.000088      0.004451  9.944620e-03       False fibril_MD        62        65
-  CB_TTR_9    O_TTR_9     1 2.445898e-03 4.965255e-06 ; 0.355837  3.012141e-01     0.919134        0.000101      0.004451  9.944771e-03       False fibril_MD        62        66
-  CB_TTR_9   N_TTR_10     1 5.323272e-03 2.894990e-05 ; 0.419351  2.447092e-01     0.249835        0.000033      0.004451  9.944700e-03       False fibril_MD        62        67
-  CB_TTR_9  CA_TTR_10     1 1.201061e-02 2.316174e-04 ; 0.517846  1.557037e-01     0.158028        0.000165      0.004451  2.411251e-04       False fibril_MD        62        68
-  CB_TTR_9  CB_TTR_10     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.000267        0.000222      0.004451  2.411251e-04       False fibril_MD        62        69
-  CB_TTR_9  CG_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.000089      0.004451  2.411251e-04       False fibril_MD        62        70
-  CB_TTR_9 CD1_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000010        0.000206      0.004451  2.411251e-04       False fibril_MD        62        71
-  CB_TTR_9 CD2_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000002        0.000147      0.004451  2.411251e-04       False fibril_MD        62        72
-  CB_TTR_9 CE1_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.000262      0.004451  2.411251e-04       False fibril_MD        62        73
-  CB_TTR_9 CE2_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.000207      0.004451  2.411251e-04       False fibril_MD        62        74
-  CB_TTR_9  CZ_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.000239      0.004451  2.411251e-04       False fibril_MD        62        75
-  CB_TTR_9  OH_TTR_10     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.000000        0.000369      0.004451  2.411251e-04       False fibril_MD        62        76
-  CB_TTR_9   C_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000312        0.000037      0.004451  2.411251e-04       False fibril_MD        62        77
-  CB_TTR_9   O_TTR_10     1 0.000000e+00 1.772574e-06 ; 0.331678 -1.772574e-06     0.004293        0.000090      0.004451  2.411251e-04       False fibril_MD        62        78
-  CB_TTR_9   N_TTR_11     1 0.000000e+00 3.232756e-06 ; 0.348710 -3.232756e-06     0.000000        0.000002      0.004451  2.411251e-04       False fibril_MD        62        79
-  CB_TTR_9  CA_TTR_11     1 0.000000e+00 2.797701e-05 ; 0.417414 -2.797701e-05     0.000000        0.000410      0.004451  2.411251e-04       False fibril_MD        62        80
-  CB_TTR_9  CB_TTR_11     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.000000        0.000580      0.004451  2.411251e-04       False fibril_MD        62        81
-  CB_TTR_9  OG_TTR_11     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.000057        0.000308      0.004451  2.411251e-04       False fibril_MD        62        82
-  CB_TTR_9   C_TTR_11     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.000268      0.004451  2.411251e-04       False fibril_MD        62        83
-  CB_TTR_9  O1_TTR_11     1 0.000000e+00 1.434879e-06 ; 0.325888 -1.434879e-06     0.000000        0.000173      0.004451  2.411251e-04       False fibril_MD        62        84
-  CB_TTR_9  O2_TTR_11     1 0.000000e+00 1.434879e-06 ; 0.325888 -1.434879e-06     0.000000        0.000186      0.004451  2.411251e-04       False fibril_MD        62        85
-  CG_TTR_9   CG_TTR_9     1 4.522291e-03 1.714458e-05 ; 0.394877  2.982154e-01     0.959245        0.000498      0.004451  9.016274e-03       False fibril_MD        63        63
-  CG_TTR_9   CD_TTR_9     1 6.467598e-03 3.500090e-05 ; 0.419008  2.987768e-01     0.972006        0.000455      0.004451  9.016274e-03       False fibril_MD        63        64
-  CG_TTR_9    C_TTR_9     1 9.062222e-03 7.094486e-05 ; 0.445603  2.893933e-01     0.699900        0.000107      0.004451  9.944620e-03       False fibril_MD        63        65
-  CG_TTR_9    O_TTR_9     1 0.000000e+00 1.772574e-06 ; 0.331678 -1.772574e-06     0.003426        0.000148      0.004451  2.411251e-04       False fibril_MD        63        66
-  CG_TTR_9   N_TTR_10     1 4.584257e-03 3.021911e-05 ; 0.433014  1.738586e-01     0.336615        0.000051      0.004451  2.411251e-04       False fibril_MD        63        67
-  CG_TTR_9  CA_TTR_10     1 1.090267e-02 2.372347e-04 ; 0.528373  1.252644e-01     0.047035        0.000255      0.004451  2.411251e-04       False fibril_MD        63        68
-  CG_TTR_9  CB_TTR_10     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.000100        0.000316      0.004451  2.411251e-04       False fibril_MD        63        69
-  CG_TTR_9  CG_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.000163      0.004451  2.411251e-04       False fibril_MD        63        70
-  CG_TTR_9 CD1_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000094        0.000312      0.004451  2.411251e-04       False fibril_MD        63        71
-  CG_TTR_9 CD2_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000054        0.000271      0.004451  2.411251e-04       False fibril_MD        63        72
-  CG_TTR_9 CE1_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.000383      0.004451  2.411251e-04       False fibril_MD        63        73
-  CG_TTR_9 CE2_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.000392      0.004451  2.411251e-04       False fibril_MD        63        74
-  CG_TTR_9  CZ_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.000386      0.004451  2.411251e-04       False fibril_MD        63        75
-  CG_TTR_9  OH_TTR_10     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.000000        0.000464      0.004451  2.411251e-04       False fibril_MD        63        76
-  CG_TTR_9   C_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.000094      0.004451  2.411251e-04       False fibril_MD        63        77
-  CG_TTR_9   O_TTR_10     1 0.000000e+00 1.772574e-06 ; 0.331678 -1.772574e-06     0.000004        0.000125      0.004451  2.411251e-04       False fibril_MD        63        78
-  CG_TTR_9   N_TTR_11     1 0.000000e+00 3.232756e-06 ; 0.348710 -3.232756e-06     0.000000        0.000031      0.004451  2.411251e-04       False fibril_MD        63        79
-  CG_TTR_9  CA_TTR_11     1 0.000000e+00 2.797701e-05 ; 0.417414 -2.797701e-05     0.000000        0.000652      0.004451  2.411251e-04       False fibril_MD        63        80
-  CG_TTR_9  CB_TTR_11     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.000000        0.000771      0.004451  2.411251e-04       False fibril_MD        63        81
-  CG_TTR_9  OG_TTR_11     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.000000        0.000426      0.004451  2.411251e-04       False fibril_MD        63        82
-  CG_TTR_9   C_TTR_11     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.000330      0.004451  2.411251e-04       False fibril_MD        63        83
-  CG_TTR_9  O1_TTR_11     1 0.000000e+00 1.434879e-06 ; 0.325888 -1.434879e-06     0.000000        0.000287      0.004451  2.411251e-04       False fibril_MD        63        84
-  CG_TTR_9  O2_TTR_11     1 0.000000e+00 1.434879e-06 ; 0.325888 -1.434879e-06     0.000000        0.000293      0.004451  2.411251e-04       False fibril_MD        63        85
-  CD_TTR_9   CD_TTR_9     1 6.856094e-03 3.926659e-05 ; 0.422984  2.992749e-01     0.983473        0.000170      0.004451  9.016274e-03       False fibril_MD        64        64
-  CD_TTR_9    C_TTR_9     1 9.906414e-03 8.305824e-05 ; 0.450724  2.953862e-01     0.803596        0.000050      0.004451  9.944620e-03       False fibril_MD        64        65
-  CD_TTR_9    O_TTR_9     1 0.000000e+00 1.772574e-06 ; 0.331678 -1.772574e-06     0.000021        0.000071      0.004451  2.411251e-04       False fibril_MD        64        66
-  CD_TTR_9   N_TTR_10     1 4.403930e-03 3.068237e-05 ; 0.437027  1.580273e-01     0.174086        0.000009      0.004451  2.411251e-04       False fibril_MD        64        67
-  CD_TTR_9  CA_TTR_10     1 8.003446e-03 1.701641e-04 ; 0.526339  9.410791e-02     0.012149        0.000143      0.004451  2.411251e-04       False fibril_MD        64        68
-  CD_TTR_9  CB_TTR_10     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.000810        0.000172      0.004451  2.411251e-04       False fibril_MD        64        69
-  CD_TTR_9  CG_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000121        0.000074      0.004451  2.411251e-04       False fibril_MD        64        70
-  CD_TTR_9 CD1_TTR_10     1 2.632243e-03 1.965832e-05 ; 0.442117  8.811415e-02     0.009465        0.000190      0.004451  2.411251e-04       False fibril_MD        64        71
-  CD_TTR_9 CD2_TTR_10     1 2.632243e-03 1.965832e-05 ; 0.442117  8.811415e-02     0.009465        0.000190      0.004451  2.411251e-04       False fibril_MD        64        72
-  CD_TTR_9 CE1_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000737        0.000245      0.004451  2.411251e-04       False fibril_MD        64        73
-  CD_TTR_9 CE2_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.001069        0.000260      0.004451  2.411251e-04       False fibril_MD        64        74
-  CD_TTR_9  CZ_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.000215      0.004451  2.411251e-04       False fibril_MD        64        75
-  CD_TTR_9  OH_TTR_10     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.000000        0.000289      0.004451  2.411251e-04       False fibril_MD        64        76
-  CD_TTR_9   C_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.000046      0.004451  2.411251e-04       False fibril_MD        64        77
-  CD_TTR_9   O_TTR_10     1 0.000000e+00 1.772574e-06 ; 0.331678 -1.772574e-06     0.000000        0.000064      0.004451  2.411251e-04       False fibril_MD        64        78
-  CD_TTR_9   N_TTR_11     1 0.000000e+00 3.232756e-06 ; 0.348710 -3.232756e-06     0.000000        0.000012      0.004451  2.411251e-04       False fibril_MD        64        79
-  CD_TTR_9  CA_TTR_11     1 0.000000e+00 2.797701e-05 ; 0.417414 -2.797701e-05     0.000000        0.000507      0.004451  2.411251e-04       False fibril_MD        64        80
-  CD_TTR_9  CB_TTR_11     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.000000        0.000598      0.004451  2.411251e-04       False fibril_MD        64        81
-  CD_TTR_9  OG_TTR_11     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.000000        0.000352      0.004451  2.411251e-04       False fibril_MD        64        82
-  CD_TTR_9  O1_TTR_11     1 0.000000e+00 1.434879e-06 ; 0.325888 -1.434879e-06     0.000000        0.000216      0.004451  2.411251e-04       False fibril_MD        64        84
-  CD_TTR_9  O2_TTR_11     1 0.000000e+00 1.434879e-06 ; 0.325888 -1.434879e-06     0.000000        0.000216      0.004451  2.411251e-04       False fibril_MD        64        85
-   C_TTR_9    C_TTR_9     1 7.160556e-03 4.260699e-05 ; 0.425686  3.008518e-01     0.813545        0.000001      0.004451  1.097406e-02       False fibril_MD        65        65
-   C_TTR_9    O_TTR_9     1 1.428626e-03 1.646127e-06 ; 0.323786  3.099658e-01     0.999249        0.000010      0.004451  1.097422e-02       False fibril_MD        65        66
-   C_TTR_9   N_TTR_10     1 2.782410e-03 6.244675e-06 ; 0.361839  3.099362e-01     0.998592        0.000004      0.004451  1.097414e-02       False fibril_MD        65        67
-   C_TTR_9  CA_TTR_10     1 8.677093e-03 6.285341e-05 ; 0.439871  2.994744e-01     0.999452        0.000002      0.004451  8.926971e-03       False fibril_MD        65        68
-   C_TTR_9  CB_TTR_10     1 7.160679e-03 4.224732e-05 ; 0.425083  3.034235e-01     0.967087        0.000034      0.004451  9.945448e-03       False fibril_MD        65        69
-   C_TTR_9  CG_TTR_10     1 3.539325e-03 2.325909e-05 ; 0.432791  1.346444e-01     0.065735        0.000007      0.004451  2.411251e-04       False fibril_MD        65        70
-   C_TTR_9 CD1_TTR_10     1 2.736455e-03 1.082135e-05 ; 0.397663  1.729956e-01     0.324730        0.000017      0.004451  2.411251e-04       False fibril_MD        65        71
-   C_TTR_9 CD2_TTR_10     1 2.736455e-03 1.082135e-05 ; 0.397663  1.729956e-01     0.324730        0.000017      0.004451  2.411251e-04       False fibril_MD        65        72
-   C_TTR_9 CE1_TTR_10     1 1.829333e-03 9.745780e-06 ; 0.417914  8.584385e-02     0.008611        0.000018      0.004451  2.411251e-04       False fibril_MD        65        73
-   C_TTR_9 CE2_TTR_10     1 1.829333e-03 9.745780e-06 ; 0.417914  8.584385e-02     0.008611        0.000018      0.004451  2.411251e-04       False fibril_MD        65        74
-   C_TTR_9  CZ_TTR_10     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000011      0.004451  2.411251e-04       False fibril_MD        65        75
+   N_TTR_9   C_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000020      0.004451  2.411251e-04       False fibril_MD        60        77
+   N_TTR_9   O_TTR_10     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000000        0.000130      0.004451  2.411251e-04       False fibril_MD        60        78
+   N_TTR_9   N_TTR_11     1 0.000000e+00 8.752940e-07 ; 0.312737 -8.752940e-07     0.000000        0.000004      0.004451  2.411251e-04       False fibril_MD        60        79
+   N_TTR_9  CA_TTR_11     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000260      0.004451  2.411251e-04       False fibril_MD        60        80
+   N_TTR_9  CB_TTR_11     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000000        0.000545      0.004451  2.411251e-04       False fibril_MD        60        81
+   N_TTR_9  OG_TTR_11     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000000        0.000320      0.004451  2.411251e-04       False fibril_MD        60        82
+  CA_TTR_9   CA_TTR_9     1 7.130479e-03 4.383113e-05 ; 0.428000  2.899978e-01     0.999963        0.001385      0.004451  7.281617e-03       False fibril_MD        61        61
+  CA_TTR_9   CB_TTR_9     1 5.629472e-03 2.687108e-05 ; 0.410333  2.948426e-01     0.999586        0.002288      0.004451  8.099101e-03       False fibril_MD        61        62
+  CA_TTR_9   CG_TTR_9     1 2.372293e-03 4.771586e-06 ; 0.355290  2.948588e-01     0.999975        0.003250      0.004451  8.099101e-03       False fibril_MD        61        63
+  CA_TTR_9   CD_TTR_9     1 2.094004e-03 3.717756e-06 ; 0.347977  2.948588e-01     0.999976        0.002430      0.004451  8.099101e-03       False fibril_MD        61        64
+  CA_TTR_9    C_TTR_9     1 5.891867e-03 2.897942e-05 ; 0.412388  2.994719e-01     0.999395        0.000512      0.004451  8.926971e-03       False fibril_MD        61        65
+  CA_TTR_9    O_TTR_9     1 9.912973e-04 8.202692e-07 ; 0.306402  2.994963e-01     0.999952        0.000686      0.004451  8.927106e-03       False fibril_MD        61        66
+  CA_TTR_9   N_TTR_10     1 9.938834e-03 8.295720e-05 ; 0.450388  2.976849e-01     0.958126        0.000305      0.004451  8.927042e-03       False fibril_MD        61        67
+  CA_TTR_9  CA_TTR_10     1 3.043720e-02 7.989531e-04 ; 0.545154  2.898866e-01     0.997228        0.002230      0.004451  7.281617e-03       False fibril_MD        61        68
+  CA_TTR_9  CB_TTR_10     1 1.076550e-02 2.324594e-04 ; 0.527698  1.246412e-01     0.438888        0.002442      0.004451  2.411251e-04       False fibril_MD        61        69
+  CA_TTR_9  CG_TTR_10     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000825        0.001381      0.004451  2.411251e-04       False fibril_MD        61        70
+  CA_TTR_9 CD1_TTR_10     1 5.441318e-03 6.677260e-05 ; 0.480267  1.108536e-01     0.201502        0.001991      0.004451  2.411251e-04       False fibril_MD        61        71
+  CA_TTR_9 CD2_TTR_10     1 5.441318e-03 6.677260e-05 ; 0.480267  1.108536e-01     0.201502        0.001991      0.004451  2.411251e-04       False fibril_MD        61        72
+  CA_TTR_9 CE1_TTR_10     1 0.000000e+00 1.908325e-04 ; 0.489840 -1.908325e-04     0.011409        0.002388      0.004451  2.411251e-04       False fibril_MD        61        73
+  CA_TTR_9 CE2_TTR_10     1 0.000000e+00 1.908325e-04 ; 0.489840 -1.908325e-04     0.011409        0.002388      0.004451  2.411251e-04       False fibril_MD        61        74
+  CA_TTR_9  CZ_TTR_10     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000189        0.002333      0.004451  2.411251e-04       False fibril_MD        61        75
+  CA_TTR_9   C_TTR_10     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000945        0.000703      0.004451  2.411251e-04       False fibril_MD        61        77
+  CA_TTR_9   O_TTR_10     1 2.389854e-03 2.010386e-05 ; 0.450974  7.102372e-02     0.016528        0.000858      0.004451  2.411251e-04       False fibril_MD        61        78
+  CA_TTR_9   N_TTR_11     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000383      0.004451  2.411251e-04       False fibril_MD        61        79
+  CA_TTR_9  CA_TTR_11     1 0.000000e+00 6.555574e-05 ; 0.448110 -6.555574e-05     0.000000        0.003179      0.004451  2.411251e-04       False fibril_MD        61        80
+  CA_TTR_9  CB_TTR_11     1 0.000000e+00 3.181365e-05 ; 0.421908 -3.181365e-05     0.000000        0.002987      0.004451  2.411251e-04       False fibril_MD        61        81
+  CA_TTR_9  OG_TTR_11     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000009        0.001684      0.004451  2.411251e-04       False fibril_MD        61        82
+  CA_TTR_9   C_TTR_11     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.001603      0.004451  2.411251e-04       False fibril_MD        61        83
+  CA_TTR_9  O1_TTR_11     1 0.000000e+00 3.362209e-06 ; 0.349853 -3.362209e-06     0.000000        0.001113      0.004451  2.411251e-04       False fibril_MD        61        84
+  CA_TTR_9  O2_TTR_11     1 0.000000e+00 3.362209e-06 ; 0.349853 -3.362209e-06     0.000000        0.001104      0.004451  2.411251e-04       False fibril_MD        61        85
+  CB_TTR_9   CB_TTR_9     1 4.211273e-03 1.485047e-05 ; 0.390141  2.985566e-01     0.966980        0.001670      0.004451  9.016274e-03       False fibril_MD        62        62
+  CB_TTR_9   CG_TTR_9     1 2.237393e-03 4.172595e-06 ; 0.350841  2.999289e-01     0.998733        0.002836      0.004451  9.016274e-03       False fibril_MD        62        63
+  CB_TTR_9   CD_TTR_9     1 3.145283e-03 8.245338e-06 ; 0.371328  2.999514e-01     0.999263        0.002539      0.004451  9.016274e-03       False fibril_MD        62        64
+  CB_TTR_9    C_TTR_9     1 8.575381e-03 6.373499e-05 ; 0.441761  2.884490e-01     0.684828        0.001005      0.004451  9.944620e-03       False fibril_MD        62        65
+  CB_TTR_9    O_TTR_9     1 2.445898e-03 4.965255e-06 ; 0.355837  3.012141e-01     0.919134        0.001067      0.004451  9.944771e-03       False fibril_MD        62        66
+  CB_TTR_9   N_TTR_10     1 5.323272e-03 2.894990e-05 ; 0.419351  2.447092e-01     0.249835        0.000610      0.004451  9.944700e-03       False fibril_MD        62        67
+  CB_TTR_9  CA_TTR_10     1 7.482008e-03 1.442860e-04 ; 0.517846  9.699561e-02     0.158028        0.002781      0.004451  2.411251e-04       False fibril_MD        62        68
+  CB_TTR_9  CB_TTR_10     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.000267        0.002685      0.004451  2.411251e-04       False fibril_MD        62        69
+  CB_TTR_9  CG_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.001715      0.004451  2.411251e-04       False fibril_MD        62        70
+  CB_TTR_9 CD1_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000010        0.002241      0.004451  2.411251e-04       False fibril_MD        62        71
+  CB_TTR_9 CD2_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000002        0.002119      0.004451  2.411251e-04       False fibril_MD        62        72
+  CB_TTR_9 CE1_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.002529      0.004451  2.411251e-04       False fibril_MD        62        73
+  CB_TTR_9 CE2_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.002511      0.004451  2.411251e-04       False fibril_MD        62        74
+  CB_TTR_9  CZ_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.002514      0.004451  2.411251e-04       False fibril_MD        62        75
+  CB_TTR_9  OH_TTR_10     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.000000        0.002257      0.004451  2.411251e-04       False fibril_MD        62        76
+  CB_TTR_9   C_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000312        0.001166      0.004451  2.411251e-04       False fibril_MD        62        77
+  CB_TTR_9   O_TTR_10     1 0.000000e+00 1.772574e-06 ; 0.331678 -1.772574e-06     0.004293        0.001161      0.004451  2.411251e-04       False fibril_MD        62        78
+  CB_TTR_9   N_TTR_11     1 0.000000e+00 3.232756e-06 ; 0.348710 -3.232756e-06     0.000000        0.000709      0.004451  2.411251e-04       False fibril_MD        62        79
+  CB_TTR_9  CA_TTR_11     1 0.000000e+00 2.797701e-05 ; 0.417414 -2.797701e-05     0.000000        0.003575      0.004451  2.411251e-04       False fibril_MD        62        80
+  CB_TTR_9  CB_TTR_11     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.000000        0.003069      0.004451  2.411251e-04       False fibril_MD        62        81
+  CB_TTR_9  OG_TTR_11     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.000057        0.001866      0.004451  2.411251e-04       False fibril_MD        62        82
+  CB_TTR_9   C_TTR_11     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.002026      0.004451  2.411251e-04       False fibril_MD        62        83
+  CB_TTR_9  O1_TTR_11     1 0.000000e+00 1.434879e-06 ; 0.325888 -1.434879e-06     0.000000        0.001427      0.004451  2.411251e-04       False fibril_MD        62        84
+  CB_TTR_9  O2_TTR_11     1 0.000000e+00 1.434879e-06 ; 0.325888 -1.434879e-06     0.000000        0.001399      0.004451  2.411251e-04       False fibril_MD        62        85
+  CG_TTR_9   CG_TTR_9     1 4.522291e-03 1.714458e-05 ; 0.394877  2.982154e-01     0.959245        0.002130      0.004451  9.016274e-03       False fibril_MD        63        63
+  CG_TTR_9   CD_TTR_9     1 6.467598e-03 3.500090e-05 ; 0.419008  2.987768e-01     0.972006        0.002322      0.004451  9.016274e-03       False fibril_MD        63        64
+  CG_TTR_9    C_TTR_9     1 9.062222e-03 7.094486e-05 ; 0.445603  2.893933e-01     0.699900        0.001455      0.004451  9.944620e-03       False fibril_MD        63        65
+  CG_TTR_9    O_TTR_9     1 0.000000e+00 1.772574e-06 ; 0.331678 -1.772574e-06     0.003426        0.001369      0.004451  2.411251e-04       False fibril_MD        63        66
+  CG_TTR_9   N_TTR_10     1 3.688846e-03 2.431663e-05 ; 0.433014  1.399000e-01     0.336615        0.000992      0.004451  2.411251e-04       False fibril_MD        63        67
+  CG_TTR_9  CA_TTR_10     1 0.000000e+00 5.595403e-04 ; 0.535779 -5.595403e-04     0.047035        0.003630      0.004451  2.411251e-04       False fibril_MD        63        68
+  CG_TTR_9  CB_TTR_10     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.000100        0.003303      0.004451  2.411251e-04       False fibril_MD        63        69
+  CG_TTR_9  CG_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.002275      0.004451  2.411251e-04       False fibril_MD        63        70
+  CG_TTR_9 CD1_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000094        0.002645      0.004451  2.411251e-04       False fibril_MD        63        71
+  CG_TTR_9 CD2_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000054        0.002571      0.004451  2.411251e-04       False fibril_MD        63        72
+  CG_TTR_9 CE1_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.003015      0.004451  2.411251e-04       False fibril_MD        63        73
+  CG_TTR_9 CE2_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.003049      0.004451  2.411251e-04       False fibril_MD        63        74
+  CG_TTR_9  CZ_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.003108      0.004451  2.411251e-04       False fibril_MD        63        75
+  CG_TTR_9  OH_TTR_10     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.000000        0.002697      0.004451  2.411251e-04       False fibril_MD        63        76
+  CG_TTR_9   C_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.001575      0.004451  2.411251e-04       False fibril_MD        63        77
+  CG_TTR_9   O_TTR_10     1 0.000000e+00 1.772574e-06 ; 0.331678 -1.772574e-06     0.000004        0.001380      0.004451  2.411251e-04       False fibril_MD        63        78
+  CG_TTR_9   N_TTR_11     1 0.000000e+00 3.232756e-06 ; 0.348710 -3.232756e-06     0.000000        0.001061      0.004451  2.411251e-04       False fibril_MD        63        79
+  CG_TTR_9  CA_TTR_11     1 0.000000e+00 2.797701e-05 ; 0.417414 -2.797701e-05     0.000000        0.004388      0.004451  2.411251e-04       False fibril_MD        63        80
+  CG_TTR_9  CB_TTR_11     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.000000        0.003624      0.004451  2.411251e-04       False fibril_MD        63        81
+  CG_TTR_9  OG_TTR_11     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.000000        0.002072      0.004451  2.411251e-04       False fibril_MD        63        82
+  CG_TTR_9   C_TTR_11     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.002608      0.004451  2.411251e-04       False fibril_MD        63        83
+  CG_TTR_9  O1_TTR_11     1 0.000000e+00 1.434879e-06 ; 0.325888 -1.434879e-06     0.000000        0.001765      0.004451  2.411251e-04       False fibril_MD        63        84
+  CG_TTR_9  O2_TTR_11     1 0.000000e+00 1.434879e-06 ; 0.325888 -1.434879e-06     0.000000        0.001767      0.004451  2.411251e-04       False fibril_MD        63        85
+  CD_TTR_9   CD_TTR_9     1 6.856094e-03 3.926659e-05 ; 0.422984  2.992749e-01     0.983473        0.001155      0.004451  9.016274e-03       False fibril_MD        64        64
+  CD_TTR_9    C_TTR_9     1 9.906414e-03 8.305824e-05 ; 0.450724  2.953862e-01     0.803596        0.000806      0.004451  9.944620e-03       False fibril_MD        64        65
+  CD_TTR_9    O_TTR_9     1 0.000000e+00 1.772574e-06 ; 0.331678 -1.772574e-06     0.000021        0.000837      0.004451  2.411251e-04       False fibril_MD        64        66
+  CD_TTR_9   N_TTR_10     1 3.963088e-03 2.761100e-05 ; 0.437027  1.422084e-01     0.174086        0.000466      0.004451  2.411251e-04       False fibril_MD        64        67
+  CD_TTR_9  CA_TTR_10     1 0.000000e+00 5.595403e-04 ; 0.535779 -5.595403e-04     0.012149        0.002310      0.004451  2.411251e-04       False fibril_MD        64        68
+  CD_TTR_9  CB_TTR_10     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.000810        0.002362      0.004451  2.411251e-04       False fibril_MD        64        69
+  CD_TTR_9  CG_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000121        0.001455      0.004451  2.411251e-04       False fibril_MD        64        70
+  CD_TTR_9 CD1_TTR_10     1 0.000000e+00 1.114021e-04 ; 0.468354 -1.114021e-04     0.009465        0.001958      0.004451  2.411251e-04       False fibril_MD        64        71
+  CD_TTR_9 CD2_TTR_10     1 0.000000e+00 1.114021e-04 ; 0.468354 -1.114021e-04     0.010183        0.001821      0.004451  2.411251e-04       False fibril_MD        64        72
+  CD_TTR_9 CE1_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000737        0.002234      0.004451  2.411251e-04       False fibril_MD        64        73
+  CD_TTR_9 CE2_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.001069        0.002121      0.004451  2.411251e-04       False fibril_MD        64        74
+  CD_TTR_9  CZ_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.002135      0.004451  2.411251e-04       False fibril_MD        64        75
+  CD_TTR_9  OH_TTR_10     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.000000        0.002043      0.004451  2.411251e-04       False fibril_MD        64        76
+  CD_TTR_9   C_TTR_10     1 0.000000e+00 5.570103e-06 ; 0.364884 -5.570103e-06     0.000000        0.000828      0.004451  2.411251e-04       False fibril_MD        64        77
+  CD_TTR_9   O_TTR_10     1 0.000000e+00 1.772574e-06 ; 0.331678 -1.772574e-06     0.000000        0.000892      0.004451  2.411251e-04       False fibril_MD        64        78
+  CD_TTR_9   N_TTR_11     1 0.000000e+00 3.232756e-06 ; 0.348710 -3.232756e-06     0.000000        0.000511      0.004451  2.411251e-04       False fibril_MD        64        79
+  CD_TTR_9  CA_TTR_11     1 0.000000e+00 2.797701e-05 ; 0.417414 -2.797701e-05     0.000000        0.003080      0.004451  2.411251e-04       False fibril_MD        64        80
+  CD_TTR_9  CB_TTR_11     1 0.000000e+00 1.357701e-05 ; 0.393007 -1.357701e-05     0.000000        0.002726      0.004451  2.411251e-04       False fibril_MD        64        81
+  CD_TTR_9  OG_TTR_11     1 0.000000e+00 2.447822e-06 ; 0.340721 -2.447822e-06     0.000000        0.001518      0.004451  2.411251e-04       False fibril_MD        64        82
+  CD_TTR_9  O1_TTR_11     1 0.000000e+00 1.434879e-06 ; 0.325888 -1.434879e-06     0.000000        0.001208      0.004451  2.411251e-04       False fibril_MD        64        84
+  CD_TTR_9  O2_TTR_11     1 0.000000e+00 1.434879e-06 ; 0.325888 -1.434879e-06     0.000000        0.001214      0.004451  2.411251e-04       False fibril_MD        64        85
+   C_TTR_9    C_TTR_9     1 7.160556e-03 4.260699e-05 ; 0.425686  3.008518e-01     0.813545        0.000011      0.004451  1.097406e-02       False fibril_MD        65        65
+   C_TTR_9    O_TTR_9     1 1.428626e-03 1.646127e-06 ; 0.323786  3.099658e-01     0.999249        0.000116      0.004451  1.097422e-02       False fibril_MD        65        66
+   C_TTR_9   N_TTR_10     1 2.782410e-03 6.244675e-06 ; 0.361839  3.099362e-01     0.998592        0.000019      0.004451  1.097414e-02       False fibril_MD        65        67
+   C_TTR_9  CA_TTR_10     1 8.677093e-03 6.285341e-05 ; 0.439871  2.994744e-01     0.999452        0.000300      0.004451  8.926971e-03       False fibril_MD        65        68
+   C_TTR_9  CB_TTR_10     1 7.160679e-03 4.224732e-05 ; 0.425083  3.034235e-01     0.967087        0.000649      0.004451  9.945448e-03       False fibril_MD        65        69
+   C_TTR_9  CG_TTR_10     1 3.427212e-03 2.252232e-05 ; 0.432791  1.303793e-01     0.065735        0.000288      0.004451  2.411251e-04       False fibril_MD        65        70
+   C_TTR_9 CD1_TTR_10     1 2.381485e-03 9.417621e-06 ; 0.397663  1.505548e-01     0.324730        0.000614      0.004451  2.411251e-04       False fibril_MD        65        71
+   C_TTR_9 CD2_TTR_10     1 2.381485e-03 9.417621e-06 ; 0.397663  1.505548e-01     0.324730        0.000614      0.004451  2.411251e-04       False fibril_MD        65        72
+   C_TTR_9 CE1_TTR_10     1 0.000000e+00 3.216668e-05 ; 0.422296 -3.216668e-05     0.008611        0.000815      0.004451  2.411251e-04       False fibril_MD        65        73
+   C_TTR_9 CE2_TTR_10     1 0.000000e+00 3.216668e-05 ; 0.422296 -3.216668e-05     0.008611        0.000815      0.004451  2.411251e-04       False fibril_MD        65        74
+   C_TTR_9  CZ_TTR_10     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000608      0.004451  2.411251e-04       False fibril_MD        65        75
    C_TTR_9  OH_TTR_10     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000000      0.001408  3.126285e-10        True native_MD        65        76
-   C_TTR_9   C_TTR_10     1 6.501030e-03 4.244232e-05 ; 0.432318  2.489460e-01     0.252232        0.000000      0.004451  1.097406e-02       False fibril_MD        65        77
-   C_TTR_9   O_TTR_10     1 2.209567e-03 6.353138e-06 ; 0.377092  1.921171e-01     0.720126        0.000007      0.004451  2.411251e-04       False fibril_MD        65        78
-   C_TTR_9   N_TTR_11     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000000      0.004451  2.411251e-04       False fibril_MD        65        79
-   C_TTR_9  CA_TTR_11     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000039      0.004451  2.411251e-04       False fibril_MD        65        80
-   C_TTR_9  CB_TTR_11     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000131      0.004451  2.411251e-04       False fibril_MD        65        81
-   C_TTR_9  OG_TTR_11     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000060      0.004451  2.411251e-04       False fibril_MD        65        82
-   C_TTR_9   C_TTR_11     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000033      0.004451  2.411251e-04       False fibril_MD        65        83
-   C_TTR_9  O1_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000000        0.000057      0.004451  2.411251e-04       False fibril_MD        65        84
-   C_TTR_9  O2_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000000        0.000004      0.004451  2.411251e-04       False fibril_MD        65        85
-   O_TTR_9    O_TTR_9     1 4.906525e-03 3.070772e-05 ; 0.429285  1.959929e-01     0.846285        0.000037      0.004451  2.411251e-04       False fibril_MD        66        66
-   O_TTR_9   N_TTR_10     1 3.043906e-04 7.472099e-08 ; 0.250228  3.099987e-01     0.999981        0.000005      0.004451  1.097431e-02       False fibril_MD        66        67
-   O_TTR_9  CA_TTR_10     1 1.666131e-03 2.317203e-06 ; 0.334099  2.994982e-01     0.999998        0.000026      0.004451  8.927106e-03       False fibril_MD        66        68
-   O_TTR_9  CB_TTR_10     1 1.028376e-03 1.322543e-06 ; 0.329769  1.999100e-01     0.996257        0.000052      0.004451  2.411251e-04       False fibril_MD        66        69
-   O_TTR_9  CG_TTR_10     1 1.878187e-03 4.625088e-06 ; 0.367477  1.906768e-01     0.678195        0.000017      0.004451  2.411251e-04       False fibril_MD        66        70
-   O_TTR_9 CD1_TTR_10     1 6.936589e-04 6.739897e-07 ; 0.314715  1.784755e-01     0.407989        0.000028      0.004451  2.411251e-04       False fibril_MD        66        71
-   O_TTR_9 CD2_TTR_10     1 6.936589e-04 6.739897e-07 ; 0.314715  1.784755e-01     0.407989        0.000028      0.004451  2.411251e-04       False fibril_MD        66        72
-   O_TTR_9 CE1_TTR_10     1 1.027985e-03 2.088130e-06 ; 0.355873  1.265192e-01     0.046862        0.000058      0.004451  2.411251e-04       False fibril_MD        66        73
-   O_TTR_9 CE2_TTR_10     1 1.027985e-03 2.088130e-06 ; 0.355873  1.265192e-01     0.046862        0.000058      0.004451  2.411251e-04       False fibril_MD        66        74
-   O_TTR_9  CZ_TTR_10     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000030        0.000025      0.004451  2.411251e-04       False fibril_MD        66        75
-   O_TTR_9   C_TTR_10     1 1.756939e-03 3.878664e-06 ; 0.360845  1.989626e-01     0.957712        0.000000      0.004451  2.411251e-04       False fibril_MD        66        77
-   O_TTR_9   O_TTR_10     1 6.593013e-04 5.433479e-07 ; 0.306196  1.999999e-01     0.999996        0.000111      0.004451  2.411251e-04       False fibril_MD        66        78
-   O_TTR_9   N_TTR_11     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000039        0.000000      0.004451  2.411251e-04       False fibril_MD        66        79
-   O_TTR_9  CA_TTR_11     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000006        0.000108      0.004451  2.411251e-04       False fibril_MD        66        80
-   O_TTR_9  CB_TTR_11     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000176      0.004451  2.411251e-04       False fibril_MD        66        81
-   O_TTR_9  OG_TTR_11     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000000        0.000090      0.004451  2.411251e-04       False fibril_MD        66        82
-   O_TTR_9   C_TTR_11     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000074      0.004451  2.411251e-04       False fibril_MD        66        83
+   C_TTR_9   C_TTR_10     1 6.501030e-03 4.244232e-05 ; 0.432318  2.489460e-01     0.252232        0.000027      0.004451  1.097406e-02       False fibril_MD        65        77
+   C_TTR_9   O_TTR_10     1 2.209567e-03 6.353138e-06 ; 0.377092  1.921171e-01     0.720126        0.000118      0.004451  2.411251e-04       False fibril_MD        65        78
+   C_TTR_9   N_TTR_11     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000026      0.004451  2.411251e-04       False fibril_MD        65        79
+   C_TTR_9  CA_TTR_11     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000000        0.000542      0.004451  2.411251e-04       False fibril_MD        65        80
+   C_TTR_9  CB_TTR_11     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000941      0.004451  2.411251e-04       False fibril_MD        65        81
+   C_TTR_9  OG_TTR_11     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000567      0.004451  2.411251e-04       False fibril_MD        65        82
+   C_TTR_9   C_TTR_11     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000219      0.004451  2.411251e-04       False fibril_MD        65        83
+   C_TTR_9  O1_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000000        0.000179      0.004451  2.411251e-04       False fibril_MD        65        84
+   C_TTR_9  O2_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000000        0.000236      0.004451  2.411251e-04       False fibril_MD        65        85
+   O_TTR_9    O_TTR_9     1 4.827514e-03 3.021323e-05 ; 0.429285  1.928368e-01     0.846285        0.000275      0.004451  2.411251e-04       False fibril_MD        66        66
+   O_TTR_9   N_TTR_10     1 3.043906e-04 7.472099e-08 ; 0.250228  3.099987e-01     0.999981        0.000094      0.004451  1.097431e-02       False fibril_MD        66        67
+   O_TTR_9  CA_TTR_10     1 1.666131e-03 2.317203e-06 ; 0.334099  2.994982e-01     0.999998        0.000415      0.004451  8.927106e-03       False fibril_MD        66        68
+   O_TTR_9  CB_TTR_10     1 9.055201e-04 1.164544e-06 ; 0.329769  1.760275e-01     0.996257        0.000652      0.004451  2.411251e-04       False fibril_MD        66        69
+   O_TTR_9  CG_TTR_10     1 1.704772e-03 4.198047e-06 ; 0.367477  1.730713e-01     0.678195        0.000502      0.004451  2.411251e-04       False fibril_MD        66        70
+   O_TTR_9 CD1_TTR_10     1 6.004094e-04 5.833844e-07 ; 0.314715  1.544828e-01     0.407989        0.000655      0.004451  2.411251e-04       False fibril_MD        66        71
+   O_TTR_9 CD2_TTR_10     1 6.004094e-04 5.833844e-07 ; 0.314715  1.544828e-01     0.407989        0.000655      0.004451  2.411251e-04       False fibril_MD        66        72
+   O_TTR_9 CE1_TTR_10     1 7.847453e-04 1.594041e-06 ; 0.355873  9.658242e-02     0.046862        0.000839      0.004451  2.411251e-04       False fibril_MD        66        73
+   O_TTR_9 CE2_TTR_10     1 7.847453e-04 1.594041e-06 ; 0.355873  9.658242e-02     0.046862        0.000839      0.004451  2.411251e-04       False fibril_MD        66        74
+   O_TTR_9  CZ_TTR_10     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000030        0.000853      0.004451  2.411251e-04       False fibril_MD        66        75
+   O_TTR_9   C_TTR_10     1 1.756939e-03 3.878664e-06 ; 0.360845  1.989626e-01     0.957712        0.000083      0.004451  2.411251e-04       False fibril_MD        66        77
+   O_TTR_9   O_TTR_10     1 5.794874e-04 4.775712e-07 ; 0.306196  1.757883e-01     0.999996        0.000661      0.004451  2.411251e-04       False fibril_MD        66        78
+   O_TTR_9   N_TTR_11     1 0.000000e+00 4.799381e-07 ; 0.297462 -4.799381e-07     0.000039        0.000075      0.004451  2.411251e-04       False fibril_MD        66        79
+   O_TTR_9  CA_TTR_11     1 0.000000e+00 4.153495e-06 ; 0.356069 -4.153495e-06     0.000006        0.000638      0.004451  2.411251e-04       False fibril_MD        66        80
+   O_TTR_9  CB_TTR_11     1 0.000000e+00 2.015656e-06 ; 0.335249 -2.015656e-06     0.000000        0.000871      0.004451  2.411251e-04       False fibril_MD        66        81
+   O_TTR_9  OG_TTR_11     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000000        0.000618      0.004451  2.411251e-04       False fibril_MD        66        82
+   O_TTR_9   C_TTR_11     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000279      0.004451  2.411251e-04       False fibril_MD        66        83
    O_TTR_9  O1_TTR_11     1 0.000000e+00 2.428469e-06 ; 0.340495 -2.428469e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        66        84
    O_TTR_9  O2_TTR_11     1 0.000000e+00 2.428469e-06 ; 0.340495 -2.428469e-06     1.000000        1.000000      1.000000  1.000000e+00       False        mg        66        85
-  N_TTR_10   N_TTR_10     1 2.076885e-03 8.170440e-06 ; 0.397319  1.319834e-01     0.018021        0.000000      0.004451  1.097423e-02       False fibril_MD        67        67
-  N_TTR_10  CA_TTR_10     1 7.088275e-03 4.194968e-05 ; 0.425303  2.994281e-01     0.998352        0.000011      0.004451  8.927042e-03       False fibril_MD        67        68
-  N_TTR_10  CB_TTR_10     1 7.472839e-03 4.883510e-05 ; 0.432389  2.858769e-01     0.645338        0.000025      0.004451  9.945528e-03       False fibril_MD        67        69
-  N_TTR_10 CD1_TTR_10     1 1.811593e-03 5.701226e-06 ; 0.382811  1.439107e-01     0.096697        0.000012      0.004451  2.411251e-04       False fibril_MD        67        71
-  N_TTR_10 CD2_TTR_10     1 1.811593e-03 5.701226e-06 ; 0.382811  1.439107e-01     0.096697        0.000012      0.004451  2.411251e-04       False fibril_MD        67        72
-  N_TTR_10 CE1_TTR_10     1 9.160999e-04 2.748533e-06 ; 0.379775  7.633519e-02     0.005795        0.000023      0.004451  2.411251e-04       False fibril_MD        67        73
-  N_TTR_10 CE2_TTR_10     1 9.160999e-04 2.748533e-06 ; 0.379775  7.633519e-02     0.005795        0.000023      0.004451  2.411251e-04       False fibril_MD        67        74
-  N_TTR_10  CZ_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000039        0.000021      0.004451  2.411251e-04       False fibril_MD        67        75
+  N_TTR_10   N_TTR_10     1 2.076885e-03 8.170440e-06 ; 0.397319  1.319834e-01     0.018021        0.000009      0.004451  1.097423e-02       False fibril_MD        67        67
+  N_TTR_10  CA_TTR_10     1 7.088275e-03 4.194968e-05 ; 0.425303  2.994281e-01     0.998352        0.000227      0.004451  8.927042e-03       False fibril_MD        67        68
+  N_TTR_10  CB_TTR_10     1 7.472839e-03 4.883510e-05 ; 0.432389  2.858769e-01     0.645338        0.000446      0.004451  9.945528e-03       False fibril_MD        67        69
+  N_TTR_10 CD1_TTR_10     1 1.627759e-03 5.122684e-06 ; 0.382811  1.293071e-01     0.096697        0.000443      0.004451  2.411251e-04       False fibril_MD        67        71
+  N_TTR_10 CD2_TTR_10     1 1.627759e-03 5.122684e-06 ; 0.382811  1.293071e-01     0.096697        0.000443      0.004451  2.411251e-04       False fibril_MD        67        72
+  N_TTR_10 CE1_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.001488        0.000528      0.004451  2.411251e-04       False fibril_MD        67        73
+  N_TTR_10 CE2_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.001488        0.000528      0.004451  2.411251e-04       False fibril_MD        67        74
+  N_TTR_10  CZ_TTR_10     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000039        0.000326      0.004451  2.411251e-04       False fibril_MD        67        75
   N_TTR_10  OH_TTR_10     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000000        0.000000      0.001408  3.126285e-10        True native_MD        67        76
-  N_TTR_10   O_TTR_10     1 2.646937e-03 6.858311e-06 ; 0.370606  2.553936e-01     0.291719        0.000014      0.004451  1.097431e-02       False fibril_MD        67        78
-  N_TTR_10  CA_TTR_11     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000008      0.004451  2.411251e-04       False fibril_MD        67        80
-  N_TTR_10  CB_TTR_11     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000057        0.000069      0.004451  2.411251e-04       False fibril_MD        67        81
-  N_TTR_10  OG_TTR_11     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000056        0.000047      0.004451  2.411251e-04       False fibril_MD        67        82
-  N_TTR_10   C_TTR_11     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000018      0.004451  2.411251e-04       False fibril_MD        67        83
-  N_TTR_10  O1_TTR_11     1 0.000000e+00 3.885048e-07 ; 0.292269 -3.885048e-07     0.000000        0.000018      0.004451  2.411251e-04       False fibril_MD        67        84
-  N_TTR_10  O2_TTR_11     1 0.000000e+00 3.885048e-07 ; 0.292269 -3.885048e-07     0.000000        0.000015      0.004451  2.411251e-04       False fibril_MD        67        85
- CA_TTR_10  CA_TTR_10     1 7.342731e-03 4.647918e-05 ; 0.430097  2.899992e-01     0.999996        0.000056      0.004451  7.281617e-03       False fibril_MD        68        68
- CA_TTR_10  CB_TTR_10     1 4.510464e-03 1.724889e-05 ; 0.395449  2.948636e-01     1.000000        0.000161      0.004451  8.099766e-03       False fibril_MD        68        69
- CA_TTR_10  CG_TTR_10     1 1.124641e-02 1.059459e-04 ; 0.459563  2.984584e-01     0.975781        0.000045      0.004451  8.926971e-03       False fibril_MD        68        70
- CA_TTR_10 CD1_TTR_10     1 7.965251e-03 5.392011e-05 ; 0.434936  2.941631e-01     0.881739        0.000178      0.004451  8.926971e-03       False fibril_MD        68        71
- CA_TTR_10 CD2_TTR_10     1 7.965251e-03 5.392011e-05 ; 0.434936  2.941631e-01     0.881739        0.000178      0.004451  8.926971e-03       False fibril_MD        68        72
- CA_TTR_10 CE1_TTR_10     1 8.072476e-03 9.278315e-05 ; 0.475055  1.755838e-01     0.391506        0.000261      0.004451  2.411251e-04       False fibril_MD        68        73
- CA_TTR_10 CE2_TTR_10     1 8.072476e-03 9.278315e-05 ; 0.475055  1.755838e-01     0.391506        0.000261      0.004451  2.411251e-04       False fibril_MD        68        74
- CA_TTR_10  CZ_TTR_10     1 5.930125e-03 8.286230e-05 ; 0.490775  1.060989e-01     0.020019        0.000163      0.004451  2.411251e-04       False fibril_MD        68        75
+  N_TTR_10   O_TTR_10     1 2.646937e-03 6.858311e-06 ; 0.370606  2.553936e-01     0.291719        0.000131      0.004451  1.097431e-02       False fibril_MD        67        78
+  N_TTR_10  CA_TTR_11     1 0.000000e+00 7.574995e-06 ; 0.374353 -7.574995e-06     0.000000        0.000438      0.004451  2.411251e-04       False fibril_MD        67        80
+  N_TTR_10  CB_TTR_11     1 0.000000e+00 3.676082e-06 ; 0.352465 -3.676082e-06     0.000057        0.000641      0.004451  2.411251e-04       False fibril_MD        67        81
+  N_TTR_10  OG_TTR_11     1 0.000000e+00 6.627671e-07 ; 0.305572 -6.627671e-07     0.000056        0.000414      0.004451  2.411251e-04       False fibril_MD        67        82
+  N_TTR_10   C_TTR_11     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000261      0.004451  2.411251e-04       False fibril_MD        67        83
+  N_TTR_10  O1_TTR_11     1 0.000000e+00 3.885048e-07 ; 0.292269 -3.885048e-07     0.000000        0.000219      0.004451  2.411251e-04       False fibril_MD        67        84
+  N_TTR_10  O2_TTR_11     1 0.000000e+00 3.885048e-07 ; 0.292269 -3.885048e-07     0.000000        0.000238      0.004451  2.411251e-04       False fibril_MD        67        85
+ CA_TTR_10  CA_TTR_10     1 7.342731e-03 4.647918e-05 ; 0.430097  2.899992e-01     0.999996        0.000959      0.004451  7.281617e-03       False fibril_MD        68        68
+ CA_TTR_10  CB_TTR_10     1 4.510464e-03 1.724889e-05 ; 0.395449  2.948636e-01     1.000000        0.001783      0.004451  8.099766e-03       False fibril_MD        68        69
+ CA_TTR_10  CG_TTR_10     1 1.124641e-02 1.059459e-04 ; 0.459563  2.984584e-01     0.975781        0.001084      0.004451  8.926971e-03       False fibril_MD        68        70
+ CA_TTR_10 CD1_TTR_10     1 7.965251e-03 5.392011e-05 ; 0.434936  2.941631e-01     0.881739        0.001608      0.004451  8.926971e-03       False fibril_MD        68        71
+ CA_TTR_10 CD2_TTR_10     1 7.965251e-03 5.392011e-05 ; 0.434936  2.941631e-01     0.881739        0.001608      0.004451  8.926971e-03       False fibril_MD        68        72
+ CA_TTR_10 CE1_TTR_10     1 5.843047e-03 6.715861e-05 ; 0.475055  1.270917e-01     0.391506        0.001967      0.004451  2.411251e-04       False fibril_MD        68        73
+ CA_TTR_10 CE2_TTR_10     1 5.843047e-03 6.715861e-05 ; 0.475055  1.270917e-01     0.391506        0.001967      0.004451  2.411251e-04       False fibril_MD        68        74
+ CA_TTR_10  CZ_TTR_10     1 0.000000e+00 1.443884e-04 ; 0.478587 -1.443884e-04     0.020019        0.001855      0.004451  2.411251e-04       False fibril_MD        68        75
  CA_TTR_10  OH_TTR_10     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000000        0.000000      0.001408  3.126285e-10        True native_MD        68        76
- CA_TTR_10   C_TTR_10     1 6.747851e-03 3.800982e-05 ; 0.421815  2.994851e-01     0.999705        0.000018      0.004451  8.926971e-03       False fibril_MD        68        77
- CA_TTR_10   O_TTR_10     1 1.253565e-03 1.311796e-06 ; 0.318630  2.994798e-01     0.999562        0.000049      0.004451  8.927106e-03       False fibril_MD        68        78
- CA_TTR_10   N_TTR_11     1 9.165452e-03 7.043510e-05 ; 0.444228  2.981664e-01     0.969072        0.000003      0.004451  8.927042e-03       False fibril_MD        68        79
- CA_TTR_10  CA_TTR_11     1 2.861532e-02 7.062301e-04 ; 0.539583  2.898617e-01     0.996619        0.000267      0.004451  7.281617e-03       False fibril_MD        68        80
- CA_TTR_10  CB_TTR_11     1 1.265110e-02 2.275534e-04 ; 0.511869  1.758381e-01     0.645815        0.000426      0.004451  2.411251e-04       False fibril_MD        68        81
- CA_TTR_10  OG_TTR_11     1 4.916022e-03 4.151938e-05 ; 0.451273  1.455180e-01     0.103392        0.000211      0.004451  2.411251e-04       False fibril_MD        68        82
- CA_TTR_10   C_TTR_11     1 5.010336e-03 7.175185e-05 ; 0.492789  8.746626e-02     0.009213        0.000157      0.004451  2.411251e-04       False fibril_MD        68        83
- CA_TTR_10  O1_TTR_11     1 2.439721e-03 1.442981e-05 ; 0.425259  1.031239e-01     0.017686        0.000104      0.004451  2.411251e-04       False fibril_MD        68        84
- CA_TTR_10  O2_TTR_11     1 2.439721e-03 1.442981e-05 ; 0.425259  1.031239e-01     0.017686        0.000104      0.004451  2.411251e-04       False fibril_MD        68        85
- CB_TTR_10  CB_TTR_10     1 6.228290e-03 3.234224e-05 ; 0.416134  2.998524e-01     0.996746        0.000152      0.004451  9.017767e-03       False fibril_MD        69        69
- CB_TTR_10  CG_TTR_10     1 4.541306e-03 1.695084e-05 ; 0.393854  3.041657e-01     0.983775        0.000134      0.004451  9.945448e-03       False fibril_MD        69        70
- CB_TTR_10 CD1_TTR_10     1 1.673528e-03 2.335918e-06 ; 0.334301  2.997423e-01     0.888403        0.000252      0.004451  9.945448e-03       False fibril_MD        69        71
- CB_TTR_10 CD2_TTR_10     1 1.673528e-03 2.335918e-06 ; 0.334301  2.997423e-01     0.888403        0.000252      0.004451  9.945448e-03       False fibril_MD        69        72
- CB_TTR_10 CE1_TTR_10     1 2.447399e-03 5.159062e-06 ; 0.358078  2.902543e-01     0.713866        0.000356      0.004451  9.945448e-03       False fibril_MD        69        73
- CB_TTR_10 CE2_TTR_10     1 2.447399e-03 5.159062e-06 ; 0.358078  2.902543e-01     0.713866        0.000356      0.004451  9.945448e-03       False fibril_MD        69        74
- CB_TTR_10  CZ_TTR_10     1 3.691748e-03 1.971943e-05 ; 0.418097  1.727865e-01     0.532686        0.000399      0.004451  2.411251e-04       False fibril_MD        69        75
- CB_TTR_10  OH_TTR_10     1 1.907386e-03 1.052592e-05 ; 0.420375  8.640867e-02     0.017440        0.000477      0.004451  2.411251e-04       False fibril_MD        69        76
- CB_TTR_10   C_TTR_10     1 9.645607e-03 7.788215e-05 ; 0.447904  2.986491e-01     0.866292        0.000063      0.004451  9.945448e-03       False fibril_MD        69        77
- CB_TTR_10   O_TTR_10     1 3.656418e-03 1.198825e-05 ; 0.385434  2.788020e-01     0.548215        0.000098      0.004451  9.945599e-03       False fibril_MD        69        78
- CB_TTR_10   N_TTR_11     1 5.271588e-03 2.338081e-05 ; 0.405340  2.971416e-01     0.836695        0.000012      0.004451  9.945528e-03       False fibril_MD        69        79
- CB_TTR_10  CA_TTR_11     1 1.288634e-02 2.250752e-04 ; 0.509370  1.844471e-01     0.687834        0.000317      0.004451  2.411251e-04       False fibril_MD        69        80
- CB_TTR_10  CB_TTR_11     1 5.522398e-03 5.518664e-05 ; 0.464107  1.381534e-01     0.118951        0.000377      0.004451  2.411251e-04       False fibril_MD        69        81
- CB_TTR_10  OG_TTR_11     1 0.000000e+00 2.783506e-06 ; 0.344389 -2.783506e-06     0.000949        0.000192      0.004451  2.411251e-04       False fibril_MD        69        82
- CB_TTR_10   C_TTR_11     1 3.768940e-03 3.432166e-05 ; 0.456974  1.034690e-01     0.017942        0.000218      0.004451  2.411251e-04       False fibril_MD        69        83
- CB_TTR_10  O1_TTR_11     1 1.794794e-03 7.068586e-06 ; 0.397393  1.139296e-01     0.027739        0.000169      0.004451  2.411251e-04       False fibril_MD        69        84
- CB_TTR_10  O2_TTR_11     1 1.794794e-03 7.068586e-06 ; 0.397393  1.139296e-01     0.027739        0.000169      0.004451  2.411251e-04       False fibril_MD        69        85
- CG_TTR_10  CG_TTR_10     1 5.462702e-03 2.505536e-05 ; 0.407614  2.977518e-01     0.758590        0.000052      0.004451  1.097406e-02       False fibril_MD        70        70
- CG_TTR_10 CD1_TTR_10     1 2.011719e-03 3.307049e-06 ; 0.343541  3.059385e-01     0.912477        0.000170      0.004451  1.097406e-02       False fibril_MD        70        71
- CG_TTR_10 CD2_TTR_10     1 2.011719e-03 3.307049e-06 ; 0.343541  3.059385e-01     0.912477        0.000170      0.004451  1.097406e-02       False fibril_MD        70        72
- CG_TTR_10 CE1_TTR_10     1 1.593785e-03 2.118883e-06 ; 0.331599  2.997039e-01     0.792747        0.000277      0.004451  1.097406e-02       False fibril_MD        70        73
- CG_TTR_10 CE2_TTR_10     1 1.593785e-03 2.118883e-06 ; 0.331599  2.997039e-01     0.792747        0.000277      0.004451  1.097406e-02       False fibril_MD        70        74
- CG_TTR_10  CZ_TTR_10     1 3.269655e-03 9.105564e-06 ; 0.375089  2.935195e-01     0.689507        0.000223      0.004451  1.097406e-02       False fibril_MD        70        75
- CG_TTR_10  OH_TTR_10     1 1.539295e-03 4.247909e-06 ; 0.374520  1.394468e-01     0.107221        0.000322      0.004451  2.411251e-04       False fibril_MD        70        76
- CG_TTR_10   O_TTR_10     1 1.040886e-03 3.502690e-06 ; 0.387109  7.732937e-02     0.006040        0.000028      0.004451  2.411251e-04       False fibril_MD        70        78
- CG_TTR_10   N_TTR_11     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.002063        0.000000      0.004451  2.411251e-04       False fibril_MD        70        79
- CG_TTR_10  CA_TTR_11     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000611        0.000100      0.004451  2.411251e-04       False fibril_MD        70        80
- CG_TTR_10  CB_TTR_11     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000073        0.000202      0.004451  2.411251e-04       False fibril_MD        70        81
- CG_TTR_10  OG_TTR_11     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000118      0.004451  2.411251e-04       False fibril_MD        70        82
- CG_TTR_10   C_TTR_11     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000052      0.004451  2.411251e-04       False fibril_MD        70        83
- CG_TTR_10  O1_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000000        0.000048      0.004451  2.411251e-04       False fibril_MD        70        84
- CG_TTR_10  O2_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000043        0.000044      0.004451  2.411251e-04       False fibril_MD        70        85
-CD1_TTR_10 CD1_TTR_10     1 1.191873e-03 1.153540e-06 ; 0.314510  3.078698e-01     0.953114        0.000303      0.004451  1.097406e-02       False fibril_MD        71        71
-CD1_TTR_10 CD2_TTR_10     1 1.191873e-03 1.153540e-06 ; 0.314510  3.078698e-01     0.953114        0.000303      0.004451  1.097406e-02       False fibril_MD        71        72
-CD1_TTR_10 CE1_TTR_10     1 9.079345e-04 6.723112e-07 ; 0.300783  3.065340e-01     0.924819        0.000433      0.004451  1.097406e-02       False fibril_MD        71        73
-CD1_TTR_10 CE2_TTR_10     1 9.079345e-04 6.723112e-07 ; 0.300783  3.065340e-01     0.924819        0.000433      0.004451  1.097406e-02       False fibril_MD        71        74
-CD1_TTR_10  CZ_TTR_10     1 1.411994e-03 1.666656e-06 ; 0.325089  2.990608e-01     0.781328        0.000442      0.004451  1.097406e-02       False fibril_MD        71        75
-CD1_TTR_10  OH_TTR_10     1 1.424043e-03 1.917424e-06 ; 0.332302  2.644040e-01     0.357482        0.000546      0.004451  1.097420e-02       False fibril_MD        71        76
-CD1_TTR_10   C_TTR_10     1 2.340955e-03 1.379145e-05 ; 0.424981  9.933817e-02     0.015106        0.000032      0.004451  2.411251e-04       False fibril_MD        71        77
-CD1_TTR_10   O_TTR_10     1 8.189769e-04 1.726746e-06 ; 0.358091  9.710796e-02     0.013766        0.000076      0.004451  2.411251e-04       False fibril_MD        71        78
-CD1_TTR_10   N_TTR_11     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000018        0.000018      0.004451  2.411251e-04       False fibril_MD        71        79
-CD1_TTR_10  CA_TTR_11     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000118        0.000316      0.004451  2.411251e-04       False fibril_MD        71        80
-CD1_TTR_10  CB_TTR_11     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000404      0.004451  2.411251e-04       False fibril_MD        71        81
-CD1_TTR_10  OG_TTR_11     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000213      0.004451  2.411251e-04       False fibril_MD        71        82
-CD1_TTR_10   C_TTR_11     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000187      0.004451  2.411251e-04       False fibril_MD        71        83
-CD1_TTR_10  O1_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000000        0.000150      0.004451  2.411251e-04       False fibril_MD        71        84
-CD1_TTR_10  O2_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000040        0.000130      0.004451  2.411251e-04       False fibril_MD        71        85
-CD2_TTR_10 CD2_TTR_10     1 1.191873e-03 1.153540e-06 ; 0.314510  3.078698e-01     0.953114        0.000303      0.004451  1.097406e-02       False fibril_MD        72        72
-CD2_TTR_10 CE1_TTR_10     1 9.079345e-04 6.723112e-07 ; 0.300783  3.065340e-01     0.924819        0.000433      0.004451  1.097406e-02       False fibril_MD        72        73
-CD2_TTR_10 CE2_TTR_10     1 9.079345e-04 6.723112e-07 ; 0.300783  3.065340e-01     0.924819        0.000433      0.004451  1.097406e-02       False fibril_MD        72        74
-CD2_TTR_10  CZ_TTR_10     1 1.411994e-03 1.666656e-06 ; 0.325089  2.990608e-01     0.781328        0.000442      0.004451  1.097406e-02       False fibril_MD        72        75
-CD2_TTR_10  OH_TTR_10     1 1.424043e-03 1.917424e-06 ; 0.332302  2.644040e-01     0.357482        0.000546      0.004451  1.097420e-02       False fibril_MD        72        76
-CD2_TTR_10   C_TTR_10     1 2.340955e-03 1.379145e-05 ; 0.424981  9.933817e-02     0.015106        0.000032      0.004451  2.411251e-04       False fibril_MD        72        77
-CD2_TTR_10   O_TTR_10     1 8.189769e-04 1.726746e-06 ; 0.358091  9.710796e-02     0.013766        0.000076      0.004451  2.411251e-04       False fibril_MD        72        78
-CD2_TTR_10   N_TTR_11     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000237        0.000002      0.004451  2.411251e-04       False fibril_MD        72        79
-CD2_TTR_10  CA_TTR_11     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000296        0.000230      0.004451  2.411251e-04       False fibril_MD        72        80
-CD2_TTR_10  CB_TTR_11     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000313      0.004451  2.411251e-04       False fibril_MD        72        81
-CD2_TTR_10  OG_TTR_11     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000168      0.004451  2.411251e-04       False fibril_MD        72        82
-CD2_TTR_10   C_TTR_11     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000124        0.000161      0.004451  2.411251e-04       False fibril_MD        72        83
-CD2_TTR_10  O1_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000043        0.000117      0.004451  2.411251e-04       False fibril_MD        72        84
-CD2_TTR_10  O2_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000132        0.000124      0.004451  2.411251e-04       False fibril_MD        72        85
-CE1_TTR_10 CE1_TTR_10     1 1.136212e-03 1.051151e-06 ; 0.312153  3.070390e-01     0.935415        0.000664      0.004451  1.097406e-02       False fibril_MD        73        73
-CE1_TTR_10 CE2_TTR_10     1 1.136212e-03 1.051151e-06 ; 0.312153  3.070390e-01     0.935415        0.000664      0.004451  1.097406e-02       False fibril_MD        73        74
-CE1_TTR_10  CZ_TTR_10     1 1.531160e-03 1.924318e-06 ; 0.328506  3.045822e-01     0.884978        0.000598      0.004451  1.097406e-02       False fibril_MD        73        75
-CE1_TTR_10  OH_TTR_10     1 1.009388e-03 8.743168e-07 ; 0.308746  2.913317e-01     0.656290        0.000749      0.004451  1.097420e-02       False fibril_MD        73        76
-CE1_TTR_10   C_TTR_10     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000087        0.000053      0.004451  2.411251e-04       False fibril_MD        73        77
-CE1_TTR_10   O_TTR_10     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000053        0.000087      0.004451  2.411251e-04       False fibril_MD        73        78
-CE1_TTR_10   N_TTR_11     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000008      0.004451  2.411251e-04       False fibril_MD        73        79
-CE1_TTR_10  CA_TTR_11     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000039        0.000438      0.004451  2.411251e-04       False fibril_MD        73        80
-CE1_TTR_10  CB_TTR_11     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000576      0.004451  2.411251e-04       False fibril_MD        73        81
-CE1_TTR_10  OG_TTR_11     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000339      0.004451  2.411251e-04       False fibril_MD        73        82
-CE1_TTR_10   C_TTR_11     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000029        0.000205      0.004451  2.411251e-04       False fibril_MD        73        83
-CE1_TTR_10  O1_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000000        0.000148      0.004451  2.411251e-04       False fibril_MD        73        84
-CE1_TTR_10  O2_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000087        0.000191      0.004451  2.411251e-04       False fibril_MD        73        85
-CE2_TTR_10 CE2_TTR_10     1 1.136212e-03 1.051151e-06 ; 0.312153  3.070390e-01     0.935415        0.000664      0.004451  1.097406e-02       False fibril_MD        74        74
-CE2_TTR_10  CZ_TTR_10     1 1.531160e-03 1.924318e-06 ; 0.328506  3.045822e-01     0.884978        0.000598      0.004451  1.097406e-02       False fibril_MD        74        75
-CE2_TTR_10  OH_TTR_10     1 1.009388e-03 8.743168e-07 ; 0.308746  2.913317e-01     0.656290        0.000749      0.004451  1.097420e-02       False fibril_MD        74        76
-CE2_TTR_10   C_TTR_10     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000232        0.000076      0.004451  2.411251e-04       False fibril_MD        74        77
-CE2_TTR_10   O_TTR_10     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000145        0.000129      0.004451  2.411251e-04       False fibril_MD        74        78
-CE2_TTR_10   N_TTR_11     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000044        0.000013      0.004451  2.411251e-04       False fibril_MD        74        79
-CE2_TTR_10  CA_TTR_11     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000093        0.000331      0.004451  2.411251e-04       False fibril_MD        74        80
-CE2_TTR_10  CB_TTR_11     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000445      0.004451  2.411251e-04       False fibril_MD        74        81
-CE2_TTR_10  OG_TTR_11     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000197      0.004451  2.411251e-04       False fibril_MD        74        82
-CE2_TTR_10   C_TTR_11     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000064        0.000246      0.004451  2.411251e-04       False fibril_MD        74        83
-CE2_TTR_10  O1_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000043        0.000201      0.004451  2.411251e-04       False fibril_MD        74        84
-CE2_TTR_10  O2_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000125        0.000152      0.004451  2.411251e-04       False fibril_MD        74        85
- CZ_TTR_10  CZ_TTR_10     1 3.440005e-03 1.002863e-05 ; 0.377961  2.949962e-01     0.712865        0.000402      0.004451  1.097406e-02       False fibril_MD        75        75
- CZ_TTR_10  OH_TTR_10     1 1.540483e-03 2.063154e-06 ; 0.332006  2.875560e-01     0.602699        0.000649      0.004451  1.097420e-02       False fibril_MD        75        76
- CZ_TTR_10   C_TTR_10     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000041      0.004451  2.411251e-04       False fibril_MD        75        77
- CZ_TTR_10   O_TTR_10     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000099      0.004451  2.411251e-04       False fibril_MD        75        78
- CZ_TTR_10   N_TTR_11     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000003      0.004451  2.411251e-04       False fibril_MD        75        79
- CZ_TTR_10  CA_TTR_11     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000002        0.000332      0.004451  2.411251e-04       False fibril_MD        75        80
- CZ_TTR_10  CB_TTR_11     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.000508      0.004451  2.411251e-04       False fibril_MD        75        81
- CZ_TTR_10  OG_TTR_11     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000248      0.004451  2.411251e-04       False fibril_MD        75        82
- CZ_TTR_10   C_TTR_11     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000214      0.004451  2.411251e-04       False fibril_MD        75        83
- CZ_TTR_10  O1_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000000        0.000179      0.004451  2.411251e-04       False fibril_MD        75        84
- CZ_TTR_10  O2_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000011        0.000158      0.004451  2.411251e-04       False fibril_MD        75        85
- OH_TTR_10  OH_TTR_10     1 8.645422e-04 7.445979e-07 ; 0.308453  2.509520e-01     0.263903        0.000532      0.004451  1.097435e-02       False fibril_MD        76        76
+ CA_TTR_10   C_TTR_10     1 6.747851e-03 3.800982e-05 ; 0.421815  2.994851e-01     0.999705        0.000411      0.004451  8.926971e-03       False fibril_MD        68        77
+ CA_TTR_10   O_TTR_10     1 1.253565e-03 1.311796e-06 ; 0.318630  2.994798e-01     0.999562        0.000677      0.004451  8.927106e-03       False fibril_MD        68        78
+ CA_TTR_10   N_TTR_11     1 9.165452e-03 7.043510e-05 ; 0.444228  2.981664e-01     0.969072        0.000180      0.004451  8.927042e-03       False fibril_MD        68        79
+ CA_TTR_10  CA_TTR_11     1 2.861532e-02 7.062301e-04 ; 0.539583  2.898617e-01     0.996619        0.002621      0.004451  7.281617e-03       False fibril_MD        68        80
+ CA_TTR_10  CB_TTR_11     1 9.447339e-03 1.699279e-04 ; 0.511869  1.313090e-01     0.645815        0.002722      0.004451  2.411251e-04       False fibril_MD        68        81
+ CA_TTR_10  OG_TTR_11     1 3.392300e-03 2.865044e-05 ; 0.451273  1.004147e-01     0.103392        0.001578      0.004451  2.411251e-04       False fibril_MD        68        82
+ CA_TTR_10   C_TTR_11     1 0.000000e+00 1.753713e-04 ; 0.486403 -1.753713e-04     0.009213        0.001234      0.004451  2.411251e-04       False fibril_MD        68        83
+ CA_TTR_10  O1_TTR_11     1 1.665098e-03 9.848279e-06 ; 0.425259  7.038161e-02     0.017686        0.000943      0.004451  2.411251e-04       False fibril_MD        68        84
+ CA_TTR_10  O2_TTR_11     1 1.665098e-03 9.848279e-06 ; 0.425259  7.038161e-02     0.017686        0.000943      0.004451  2.411251e-04       False fibril_MD        68        85
+ CB_TTR_10  CB_TTR_10     1 6.228290e-03 3.234224e-05 ; 0.416134  2.998524e-01     0.996746        0.001162      0.004451  9.017767e-03       False fibril_MD        69        69
+ CB_TTR_10  CG_TTR_10     1 4.541306e-03 1.695084e-05 ; 0.393854  3.041657e-01     0.983775        0.001050      0.004451  9.945448e-03       False fibril_MD        69        70
+ CB_TTR_10 CD1_TTR_10     1 1.673528e-03 2.335918e-06 ; 0.334301  2.997423e-01     0.888403        0.001445      0.004451  9.945448e-03       False fibril_MD        69        71
+ CB_TTR_10 CD2_TTR_10     1 1.673528e-03 2.335918e-06 ; 0.334301  2.997423e-01     0.888403        0.001445      0.004451  9.945448e-03       False fibril_MD        69        72
+ CB_TTR_10 CE1_TTR_10     1 2.447399e-03 5.159062e-06 ; 0.358078  2.902543e-01     0.713866        0.001886      0.004451  9.945448e-03       False fibril_MD        69        73
+ CB_TTR_10 CE2_TTR_10     1 2.447399e-03 5.159062e-06 ; 0.358078  2.902543e-01     0.713866        0.001886      0.004451  9.945448e-03       False fibril_MD        69        74
+ CB_TTR_10  CZ_TTR_10     1 2.906798e-03 1.552662e-05 ; 0.418097  1.360481e-01     0.532686        0.001843      0.004451  2.411251e-04       False fibril_MD        69        75
+ CB_TTR_10  OH_TTR_10     1 0.000000e+00 2.436311e-05 ; 0.412630 -2.436311e-05     0.017440        0.001663      0.004451  2.411251e-04       False fibril_MD        69        76
+ CB_TTR_10   C_TTR_10     1 9.645607e-03 7.788215e-05 ; 0.447904  2.986491e-01     0.866292        0.000812      0.004451  9.945448e-03       False fibril_MD        69        77
+ CB_TTR_10   O_TTR_10     1 3.656418e-03 1.198825e-05 ; 0.385434  2.788020e-01     0.548215        0.000934      0.004451  9.945599e-03       False fibril_MD        69        78
+ CB_TTR_10   N_TTR_11     1 5.271588e-03 2.338081e-05 ; 0.405340  2.971416e-01     0.836695        0.000474      0.004451  9.945528e-03       False fibril_MD        69        79
+ CB_TTR_10  CA_TTR_11     1 9.076697e-03 1.585352e-04 ; 0.509370  1.299182e-01     0.687834        0.003072      0.004451  2.411251e-04       False fibril_MD        69        80
+ CB_TTR_10  CB_TTR_11     1 3.605275e-03 3.602837e-05 ; 0.464107  9.019286e-02     0.118951        0.002779      0.004451  2.411251e-04       False fibril_MD        69        81
+ CB_TTR_10  OG_TTR_11     1 0.000000e+00 2.783506e-06 ; 0.344389 -2.783506e-06     0.000949        0.001712      0.004451  2.411251e-04       False fibril_MD        69        82
+ CB_TTR_10   C_TTR_11     1 0.000000e+00 7.163750e-05 ; 0.451435 -7.163750e-05     0.017942        0.001629      0.004451  2.411251e-04       False fibril_MD        69        83
+ CB_TTR_10  O1_TTR_11     1 1.190677e-03 4.689342e-06 ; 0.397393  7.558157e-02     0.027739        0.001191      0.004451  2.411251e-04       False fibril_MD        69        84
+ CB_TTR_10  O2_TTR_11     1 1.190677e-03 4.689342e-06 ; 0.397393  7.558157e-02     0.027739        0.001191      0.004451  2.411251e-04       False fibril_MD        69        85
+ CG_TTR_10  CG_TTR_10     1 5.462702e-03 2.505536e-05 ; 0.407614  2.977518e-01     0.758590        0.000302      0.004451  1.097406e-02       False fibril_MD        70        70
+ CG_TTR_10 CD1_TTR_10     1 2.011719e-03 3.307049e-06 ; 0.343541  3.059385e-01     0.912477        0.000812      0.004451  1.097406e-02       False fibril_MD        70        71
+ CG_TTR_10 CD2_TTR_10     1 2.011719e-03 3.307049e-06 ; 0.343541  3.059385e-01     0.912477        0.000812      0.004451  1.097406e-02       False fibril_MD        70        72
+ CG_TTR_10 CE1_TTR_10     1 1.593785e-03 2.118883e-06 ; 0.331599  2.997039e-01     0.792747        0.001053      0.004451  1.097406e-02       False fibril_MD        70        73
+ CG_TTR_10 CE2_TTR_10     1 1.593785e-03 2.118883e-06 ; 0.331599  2.997039e-01     0.792747        0.001053      0.004451  1.097406e-02       False fibril_MD        70        74
+ CG_TTR_10  CZ_TTR_10     1 3.269655e-03 9.105564e-06 ; 0.375089  2.935195e-01     0.689507        0.000893      0.004451  1.097406e-02       False fibril_MD        70        75
+ CG_TTR_10  OH_TTR_10     1 1.229083e-03 3.391832e-06 ; 0.374520  1.113442e-01     0.107221        0.001038      0.004451  2.411251e-04       False fibril_MD        70        76
+ CG_TTR_10   O_TTR_10     1 0.000000e+00 4.431439e-06 ; 0.357996 -4.431439e-06     0.006040        0.000635      0.004451  2.411251e-04       False fibril_MD        70        78
+ CG_TTR_10   N_TTR_11     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.002063        0.000142      0.004451  2.411251e-04       False fibril_MD        70        79
+ CG_TTR_10  CA_TTR_11     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000611        0.001698      0.004451  2.411251e-04       False fibril_MD        70        80
+ CG_TTR_10  CB_TTR_11     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000073        0.001804      0.004451  2.411251e-04       False fibril_MD        70        81
+ CG_TTR_10  OG_TTR_11     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.001008      0.004451  2.411251e-04       False fibril_MD        70        82
+ CG_TTR_10   C_TTR_11     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000967      0.004451  2.411251e-04       False fibril_MD        70        83
+ CG_TTR_10  O1_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000000        0.000708      0.004451  2.411251e-04       False fibril_MD        70        84
+ CG_TTR_10  O2_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000043        0.000797      0.004451  2.411251e-04       False fibril_MD        70        85
+CD1_TTR_10 CD1_TTR_10     1 1.191873e-03 1.153540e-06 ; 0.314510  3.078698e-01     0.953114        0.001364      0.004451  1.097406e-02       False fibril_MD        71        71
+CD1_TTR_10 CD2_TTR_10     1 1.191873e-03 1.153540e-06 ; 0.314510  3.078698e-01     0.953114        0.001364      0.004451  1.097406e-02       False fibril_MD        71        72
+CD1_TTR_10 CE1_TTR_10     1 9.079345e-04 6.723112e-07 ; 0.300783  3.065340e-01     0.924819        0.001586      0.004451  1.097406e-02       False fibril_MD        71        73
+CD1_TTR_10 CE2_TTR_10     1 9.079345e-04 6.723112e-07 ; 0.300783  3.065340e-01     0.924819        0.001586      0.004451  1.097406e-02       False fibril_MD        71        74
+CD1_TTR_10  CZ_TTR_10     1 1.411994e-03 1.666656e-06 ; 0.325089  2.990608e-01     0.781328        0.001505      0.004451  1.097406e-02       False fibril_MD        71        75
+CD1_TTR_10  OH_TTR_10     1 1.424043e-03 1.917424e-06 ; 0.332302  2.644040e-01     0.357482        0.001375      0.004451  1.097420e-02       False fibril_MD        71        76
+CD1_TTR_10   C_TTR_10     1 1.710356e-03 1.007635e-05 ; 0.424981  7.257878e-02     0.015106        0.000735      0.004451  2.411251e-04       False fibril_MD        71        77
+CD1_TTR_10   O_TTR_10     1 0.000000e+00 1.482989e-06 ; 0.326785 -1.482989e-06     0.013766        0.000851      0.004451  2.411251e-04       False fibril_MD        71        78
+CD1_TTR_10   N_TTR_11     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000018        0.000379      0.004451  2.411251e-04       False fibril_MD        71        79
+CD1_TTR_10  CA_TTR_11     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000118        0.002389      0.004451  2.411251e-04       False fibril_MD        71        80
+CD1_TTR_10  CB_TTR_11     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.002218      0.004451  2.411251e-04       False fibril_MD        71        81
+CD1_TTR_10  OG_TTR_11     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.001295      0.004451  2.411251e-04       False fibril_MD        71        82
+CD1_TTR_10   C_TTR_11     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.001401      0.004451  2.411251e-04       False fibril_MD        71        83
+CD1_TTR_10  O1_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000000        0.000956      0.004451  2.411251e-04       False fibril_MD        71        84
+CD1_TTR_10  O2_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000040        0.001091      0.004451  2.411251e-04       False fibril_MD        71        85
+CD2_TTR_10 CD2_TTR_10     1 1.191873e-03 1.153540e-06 ; 0.314510  3.078698e-01     0.953114        0.001364      0.004451  1.097406e-02       False fibril_MD        72        72
+CD2_TTR_10 CE1_TTR_10     1 9.079345e-04 6.723112e-07 ; 0.300783  3.065340e-01     0.924819        0.001586      0.004451  1.097406e-02       False fibril_MD        72        73
+CD2_TTR_10 CE2_TTR_10     1 9.079345e-04 6.723112e-07 ; 0.300783  3.065340e-01     0.924819        0.001586      0.004451  1.097406e-02       False fibril_MD        72        74
+CD2_TTR_10  CZ_TTR_10     1 1.411994e-03 1.666656e-06 ; 0.325089  2.990608e-01     0.781328        0.001505      0.004451  1.097406e-02       False fibril_MD        72        75
+CD2_TTR_10  OH_TTR_10     1 1.424043e-03 1.917424e-06 ; 0.332302  2.644040e-01     0.357482        0.001375      0.004451  1.097420e-02       False fibril_MD        72        76
+CD2_TTR_10   C_TTR_10     1 1.710356e-03 1.007635e-05 ; 0.424981  7.257878e-02     0.015106        0.000735      0.004451  2.411251e-04       False fibril_MD        72        77
+CD2_TTR_10   O_TTR_10     1 0.000000e+00 1.482989e-06 ; 0.326785 -1.482989e-06     0.013766        0.000851      0.004451  2.411251e-04       False fibril_MD        72        78
+CD2_TTR_10   N_TTR_11     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000237        0.000356      0.004451  2.411251e-04       False fibril_MD        72        79
+CD2_TTR_10  CA_TTR_11     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000296        0.002465      0.004451  2.411251e-04       False fibril_MD        72        80
+CD2_TTR_10  CB_TTR_11     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.002249      0.004451  2.411251e-04       False fibril_MD        72        81
+CD2_TTR_10  OG_TTR_11     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.001321      0.004451  2.411251e-04       False fibril_MD        72        82
+CD2_TTR_10   C_TTR_11     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000124        0.001434      0.004451  2.411251e-04       False fibril_MD        72        83
+CD2_TTR_10  O1_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000043        0.001004      0.004451  2.411251e-04       False fibril_MD        72        84
+CD2_TTR_10  O2_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000132        0.001094      0.004451  2.411251e-04       False fibril_MD        72        85
+CE1_TTR_10 CE1_TTR_10     1 1.136212e-03 1.051151e-06 ; 0.312153  3.070390e-01     0.935415        0.001763      0.004451  1.097406e-02       False fibril_MD        73        73
+CE1_TTR_10 CE2_TTR_10     1 1.136212e-03 1.051151e-06 ; 0.312153  3.070390e-01     0.935415        0.001763      0.004451  1.097406e-02       False fibril_MD        73        74
+CE1_TTR_10  CZ_TTR_10     1 1.531160e-03 1.924318e-06 ; 0.328506  3.045822e-01     0.884978        0.001552      0.004451  1.097406e-02       False fibril_MD        73        75
+CE1_TTR_10  OH_TTR_10     1 1.009388e-03 8.743168e-07 ; 0.308746  2.913317e-01     0.656290        0.001603      0.004451  1.097420e-02       False fibril_MD        73        76
+CE1_TTR_10   C_TTR_10     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000087        0.000834      0.004451  2.411251e-04       False fibril_MD        73        77
+CE1_TTR_10   O_TTR_10     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000053        0.000976      0.004451  2.411251e-04       False fibril_MD        73        78
+CE1_TTR_10   N_TTR_11     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000480      0.004451  2.411251e-04       False fibril_MD        73        79
+CE1_TTR_10  CA_TTR_11     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000039        0.002828      0.004451  2.411251e-04       False fibril_MD        73        80
+CE1_TTR_10  CB_TTR_11     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.002494      0.004451  2.411251e-04       False fibril_MD        73        81
+CE1_TTR_10  OG_TTR_11     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.001456      0.004451  2.411251e-04       False fibril_MD        73        82
+CE1_TTR_10   C_TTR_11     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000029        0.001676      0.004451  2.411251e-04       False fibril_MD        73        83
+CE1_TTR_10  O1_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000000        0.001184      0.004451  2.411251e-04       False fibril_MD        73        84
+CE1_TTR_10  O2_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000087        0.001256      0.004451  2.411251e-04       False fibril_MD        73        85
+CE2_TTR_10 CE2_TTR_10     1 1.136212e-03 1.051151e-06 ; 0.312153  3.070390e-01     0.935415        0.001763      0.004451  1.097406e-02       False fibril_MD        74        74
+CE2_TTR_10  CZ_TTR_10     1 1.531160e-03 1.924318e-06 ; 0.328506  3.045822e-01     0.884978        0.001552      0.004451  1.097406e-02       False fibril_MD        74        75
+CE2_TTR_10  OH_TTR_10     1 1.009388e-03 8.743168e-07 ; 0.308746  2.913317e-01     0.656290        0.001603      0.004451  1.097420e-02       False fibril_MD        74        76
+CE2_TTR_10   C_TTR_10     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000232        0.000863      0.004451  2.411251e-04       False fibril_MD        74        77
+CE2_TTR_10   O_TTR_10     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000145        0.000930      0.004451  2.411251e-04       False fibril_MD        74        78
+CE2_TTR_10   N_TTR_11     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000044        0.000485      0.004451  2.411251e-04       False fibril_MD        74        79
+CE2_TTR_10  CA_TTR_11     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000093        0.002935      0.004451  2.411251e-04       False fibril_MD        74        80
+CE2_TTR_10  CB_TTR_11     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.002684      0.004451  2.411251e-04       False fibril_MD        74        81
+CE2_TTR_10  OG_TTR_11     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.001569      0.004451  2.411251e-04       False fibril_MD        74        82
+CE2_TTR_10   C_TTR_11     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000064        0.001659      0.004451  2.411251e-04       False fibril_MD        74        83
+CE2_TTR_10  O1_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000043        0.001163      0.004451  2.411251e-04       False fibril_MD        74        84
+CE2_TTR_10  O2_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000125        0.001198      0.004451  2.411251e-04       False fibril_MD        74        85
+ CZ_TTR_10  CZ_TTR_10     1 3.440005e-03 1.002863e-05 ; 0.377961  2.949962e-01     0.712865        0.000936      0.004451  1.097406e-02       False fibril_MD        75        75
+ CZ_TTR_10  OH_TTR_10     1 1.540483e-03 2.063154e-06 ; 0.332006  2.875560e-01     0.602699        0.001319      0.004451  1.097420e-02       False fibril_MD        75        76
+ CZ_TTR_10   C_TTR_10     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.000584      0.004451  2.411251e-04       False fibril_MD        75        77
+ CZ_TTR_10   O_TTR_10     1 0.000000e+00 8.269429e-07 ; 0.311260 -8.269429e-07     0.000000        0.000864      0.004451  2.411251e-04       False fibril_MD        75        78
+ CZ_TTR_10   N_TTR_11     1 0.000000e+00 1.508149e-06 ; 0.327243 -1.508149e-06     0.000000        0.000346      0.004451  2.411251e-04       False fibril_MD        75        79
+ CZ_TTR_10  CA_TTR_11     1 0.000000e+00 1.305186e-05 ; 0.391717 -1.305186e-05     0.000002        0.002814      0.004451  2.411251e-04       False fibril_MD        75        80
+ CZ_TTR_10  CB_TTR_11     1 0.000000e+00 6.333961e-06 ; 0.368813 -6.333961e-06     0.000000        0.002719      0.004451  2.411251e-04       False fibril_MD        75        81
+ CZ_TTR_10  OG_TTR_11     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.001516      0.004451  2.411251e-04       False fibril_MD        75        82
+ CZ_TTR_10   C_TTR_11     1 0.000000e+00 2.598570e-06 ; 0.342422 -2.598570e-06     0.000000        0.001678      0.004451  2.411251e-04       False fibril_MD        75        83
+ CZ_TTR_10  O1_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000000        0.001151      0.004451  2.411251e-04       False fibril_MD        75        84
+ CZ_TTR_10  O2_TTR_11     1 0.000000e+00 6.694014e-07 ; 0.305826 -6.694014e-07     0.000011        0.001277      0.004451  2.411251e-04       False fibril_MD        75        85
+ OH_TTR_10  OH_TTR_10     1 8.645422e-04 7.445979e-07 ; 0.308453  2.509520e-01     0.263903        0.000915      0.004451  1.097435e-02       False fibril_MD        76        76
  OH_TTR_10   C_TTR_10     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000000      0.001408  3.126285e-10        True native_MD        76        77
  OH_TTR_10   O_TTR_10     1 0.000000e+00 3.634061e-07 ; 0.290647 -3.634061e-07     0.000000        0.000000      0.001408  3.126285e-10        True native_MD        76        78
- OH_TTR_10  CA_TTR_11     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000000        0.000475      0.004451  2.411251e-04       False fibril_MD        76        80
- OH_TTR_10  CB_TTR_11     1 0.000000e+00 2.783506e-06 ; 0.344389 -2.783506e-06     0.000000        0.000646      0.004451  2.411251e-04       False fibril_MD        76        81
- OH_TTR_10  OG_TTR_11     1 0.000000e+00 5.018430e-07 ; 0.298571 -5.018430e-07     0.000000        0.000381      0.004451  2.411251e-04       False fibril_MD        76        82
- OH_TTR_10   C_TTR_11     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.000297      0.004451  2.411251e-04       False fibril_MD        76        83
- OH_TTR_10  O1_TTR_11     1 0.000000e+00 2.941733e-07 ; 0.285573 -2.941733e-07     0.000000        0.000282      0.004451  2.411251e-04       False fibril_MD        76        84
- OH_TTR_10  O2_TTR_11     1 0.000000e+00 2.941733e-07 ; 0.285573 -2.941733e-07     0.000000        0.000280      0.004451  2.411251e-04       False fibril_MD        76        85
-  C_TTR_10   C_TTR_10     1 7.006856e-03 4.084529e-05 ; 0.424232  3.004999e-01     0.807112        0.000001      0.004451  1.097406e-02       False fibril_MD        77        77
-  C_TTR_10   O_TTR_10     1 1.509884e-03 1.840235e-06 ; 0.326830  3.097092e-01     0.993482        0.000021      0.004451  1.097422e-02       False fibril_MD        77        78
-  C_TTR_10   N_TTR_11     1 2.787717e-03 6.274354e-06 ; 0.362010  3.096481e-01     0.992122        0.000000      0.004451  1.097414e-02       False fibril_MD        77        79
-  C_TTR_10  CA_TTR_11     1 8.555605e-03 6.114958e-05 ; 0.438891  2.992595e-01     0.994399        0.000096      0.004451  8.926971e-03       False fibril_MD        77        80
-  C_TTR_10  CB_TTR_11     1 5.170286e-03 2.197950e-05 ; 0.402486  3.040545e-01     0.981257        0.000181      0.004451  9.945448e-03       False fibril_MD        77        81
-  C_TTR_10  OG_TTR_11     1 1.154015e-03 1.996840e-06 ; 0.346488  1.667323e-01     0.250166        0.000086      0.004451  2.411251e-04       False fibril_MD        77        82
-  C_TTR_10   C_TTR_11     1 4.780731e-03 2.649742e-05 ; 0.420680  2.156378e-01     0.118971        0.000073      0.004451  1.097406e-02       False fibril_MD        77        83
-  C_TTR_10  O1_TTR_11     1 1.032196e-03 1.917104e-06 ; 0.350602  1.389373e-01     0.078605        0.000059      0.004451  2.411251e-04       False fibril_MD        77        84
-  C_TTR_10  O2_TTR_11     1 1.032196e-03 1.917104e-06 ; 0.350602  1.389373e-01     0.078605        0.000059      0.004451  2.411251e-04       False fibril_MD        77        85
-  O_TTR_10   O_TTR_10     1 4.059763e-03 2.104688e-05 ; 0.416020  1.957733e-01     0.838580        0.000074      0.004451  2.411251e-04       False fibril_MD        78        78
-  O_TTR_10   N_TTR_11     1 3.291483e-04 8.738590e-08 ; 0.253518  3.099430e-01     0.998727        0.000008      0.004451  1.097431e-02       False fibril_MD        78        79
-  O_TTR_10  CA_TTR_11     1 1.687528e-03 2.377390e-06 ; 0.334818  2.994620e-01     0.999144        0.000192      0.004451  8.927106e-03       False fibril_MD        78        80
-  O_TTR_10  CB_TTR_11     1 6.334918e-04 5.054063e-07 ; 0.304544  1.985095e-01     0.997784        0.000256      0.004451  2.411251e-04       False fibril_MD        78        81
-  O_TTR_10  OG_TTR_11     1 1.873570e-04 4.583100e-08 ; 0.250082  1.914787e-01     0.701229        0.000157      0.004451  2.411251e-04       False fibril_MD        78        82
-  O_TTR_10   C_TTR_11     1 1.636142e-03 3.663604e-06 ; 0.361700  1.826725e-01     0.485922        0.000116      0.004451  2.411251e-04       False fibril_MD        78        83
-  O_TTR_10  O1_TTR_11     1 7.509628e-04 7.940028e-07 ; 0.319179  1.775640e-01     0.555484        0.000341      0.004451  2.411251e-04       False fibril_MD        78        84
-  O_TTR_10  O2_TTR_11     1 7.509628e-04 7.940028e-07 ; 0.319179  1.775640e-01     0.555484        0.000341      0.004451  2.411251e-04       False fibril_MD        78        85
-  N_TTR_11   N_TTR_11     1 2.505304e-03 9.241151e-06 ; 0.393077  1.697988e-01     0.042296        0.000000      0.004451  1.097423e-02       False fibril_MD        79        79
-  N_TTR_11  CA_TTR_11     1 7.013469e-03 4.113794e-05 ; 0.424670  2.989256e-01     0.986587        0.000049      0.004451  8.927042e-03       False fibril_MD        79        80
-  N_TTR_11  CB_TTR_11     1 6.391920e-03 3.452565e-05 ; 0.418876  2.958426e-01     0.812012        0.000077      0.004451  9.945528e-03       False fibril_MD        79        81
-  N_TTR_11  OG_TTR_11     1 2.144836e-03 5.368896e-06 ; 0.368481  2.142116e-01     0.115202        0.000055      0.004451  1.097429e-02       False fibril_MD        79        82
-  N_TTR_11   C_TTR_11     1 3.447958e-03 1.438303e-05 ; 0.401219  2.066396e-01     0.097112        0.000035      0.004451  1.097414e-02       False fibril_MD        79        83
-  N_TTR_11  O1_TTR_11     1 4.323786e-04 2.426713e-07 ; 0.287205  1.925971e-01     0.070742        0.000036      0.004451  1.097435e-02       False fibril_MD        79        84
-  N_TTR_11  O2_TTR_11     1 4.323786e-04 2.426713e-07 ; 0.287205  1.925971e-01     0.070742        0.000036      0.004451  1.097435e-02       False fibril_MD        79        85
- CA_TTR_11  CA_TTR_11     1 7.905854e-03 5.388345e-05 ; 0.435429  2.899894e-01     0.999756        0.000506      0.004451  7.281617e-03       False fibril_MD        80        80
- CA_TTR_11  CB_TTR_11     1 3.222900e-03 8.806830e-06 ; 0.373906  2.948588e-01     0.999883        0.000889      0.004451  8.099766e-03       False fibril_MD        80        81
- CA_TTR_11  OG_TTR_11     1 2.497313e-03 5.237462e-06 ; 0.357773  2.976906e-01     0.958249        0.000522      0.004451  8.927088e-03       False fibril_MD        80        82
- CA_TTR_11   C_TTR_11     1 7.158080e-03 4.287006e-05 ; 0.426147  2.987989e-01     0.983651        0.000400      0.004451  8.926971e-03       False fibril_MD        80        83
- CA_TTR_11  O1_TTR_11     1 1.814412e-03 2.855534e-06 ; 0.341056  2.882204e-01     0.766371        0.000274      0.004451  8.927140e-03       False fibril_MD        80        84
- CA_TTR_11  O2_TTR_11     1 1.814412e-03 2.855534e-06 ; 0.341056  2.882204e-01     0.766371        0.000274      0.004451  8.927140e-03       False fibril_MD        80        85
- CB_TTR_11  CB_TTR_11     1 5.465609e-03 2.492505e-05 ; 0.407224  2.996271e-01     0.991474        0.000626      0.004451  9.017767e-03       False fibril_MD        81        81
- CB_TTR_11  OG_TTR_11     1 1.481779e-03 1.847699e-06 ; 0.328076  2.970816e-01     0.835535        0.000502      0.004451  9.945580e-03       False fibril_MD        81        82
- CB_TTR_11   C_TTR_11     1 2.814725e-03 6.536155e-06 ; 0.363899  3.030328e-01     0.958415        0.000594      0.004451  9.945448e-03       False fibril_MD        81        83
- CB_TTR_11  O1_TTR_11     1 1.061380e-03 1.029446e-06 ; 0.314622  2.735763e-01     0.485993        0.000426      0.004451  9.945638e-03       False fibril_MD        81        84
- CB_TTR_11  O2_TTR_11     1 1.061380e-03 1.029446e-06 ; 0.314622  2.735763e-01     0.485993        0.000426      0.004451  9.945638e-03       False fibril_MD        81        85
- OG_TTR_11  OG_TTR_11     1 2.800630e-04 7.428211e-08 ; 0.253477  2.639777e-01     0.354056        0.000184      0.004451  1.097435e-02       False fibril_MD        82        82
- OG_TTR_11   C_TTR_11     1 1.244753e-03 1.649555e-06 ; 0.331421  2.348223e-01     0.183404        0.000310      0.004451  1.097420e-02       False fibril_MD        82        83
- OG_TTR_11  O1_TTR_11     1 1.238786e-04 2.875964e-08 ; 0.247912  1.333980e-01     0.065483        0.000253      0.004451  2.411251e-04       False fibril_MD        82        84
- OG_TTR_11  O2_TTR_11     1 1.238786e-04 2.875964e-08 ; 0.247912  1.333980e-01     0.065483        0.000253      0.004451  2.411251e-04       False fibril_MD        82        85
-  C_TTR_11   C_TTR_11     1 5.530046e-03 2.713181e-05 ; 0.412216  2.817855e-01     0.529135        0.000084      0.004451  1.097406e-02       False fibril_MD        83        83
-  C_TTR_11  O1_TTR_11     1 1.853497e-03 3.055636e-06 ; 0.343704  2.810751e-01     0.520712        0.000110      0.004451  1.097427e-02       False fibril_MD        83        84
-  C_TTR_11  O2_TTR_11     1 1.853497e-03 3.055636e-06 ; 0.343704  2.810751e-01     0.520712        0.000110      0.004451  1.097427e-02       False fibril_MD        83        85
- O1_TTR_11  O1_TTR_11     1 9.573851e-04 1.235382e-06 ; 0.329953  1.854865e-01     0.611771        0.000270      0.004451  2.411251e-04       False fibril_MD        84        84
- O1_TTR_11  O2_TTR_11     1 9.573851e-04 1.235382e-06 ; 0.329953  1.854865e-01     0.611771        0.000270      0.004451  2.411251e-04       False fibril_MD        84        85
- O2_TTR_11  O2_TTR_11     1 9.573851e-04 1.235382e-06 ; 0.329953  1.854865e-01     0.611771        0.000270      0.004451  2.411251e-04       False fibril_MD        85        85
\ No newline at end of file
+ OH_TTR_10  CA_TTR_11     1 0.000000e+00 5.735738e-06 ; 0.365776 -5.735738e-06     0.000000        0.002615      0.004451  2.411251e-04       False fibril_MD        76        80
+ OH_TTR_10  CB_TTR_11     1 0.000000e+00 2.783506e-06 ; 0.344389 -2.783506e-06     0.000000        0.002491      0.004451  2.411251e-04       False fibril_MD        76        81
+ OH_TTR_10  OG_TTR_11     1 0.000000e+00 5.018430e-07 ; 0.298571 -5.018430e-07     0.000000        0.001475      0.004451  2.411251e-04       False fibril_MD        76        82
+ OH_TTR_10   C_TTR_11     1 0.000000e+00 1.141961e-06 ; 0.319745 -1.141961e-06     0.000000        0.001581      0.004451  2.411251e-04       False fibril_MD        76        83
+ OH_TTR_10  O1_TTR_11     1 0.000000e+00 2.941733e-07 ; 0.285573 -2.941733e-07     0.000000        0.001189      0.004451  2.411251e-04       False fibril_MD        76        84
+ OH_TTR_10  O2_TTR_11     1 0.000000e+00 2.941733e-07 ; 0.285573 -2.941733e-07     0.000000        0.001259      0.004451  2.411251e-04       False fibril_MD        76        85
+  C_TTR_10   C_TTR_10     1 7.006856e-03 4.084529e-05 ; 0.424232  3.004999e-01     0.807112        0.000025      0.004451  1.097406e-02       False fibril_MD        77        77
+  C_TTR_10   O_TTR_10     1 1.509884e-03 1.840235e-06 ; 0.326830  3.097092e-01     0.993482        0.000160      0.004451  1.097422e-02       False fibril_MD        77        78
+  C_TTR_10   N_TTR_11     1 2.787717e-03 6.274354e-06 ; 0.362010  3.096481e-01     0.992122        0.000045      0.004451  1.097414e-02       False fibril_MD        77        79
+  C_TTR_10  CA_TTR_11     1 8.555605e-03 6.114958e-05 ; 0.438891  2.992595e-01     0.994399        0.000647      0.004451  8.926971e-03       False fibril_MD        77        80
+  C_TTR_10  CB_TTR_11     1 5.170286e-03 2.197950e-05 ; 0.402486  3.040545e-01     0.981257        0.001062      0.004451  9.945448e-03       False fibril_MD        77        81
+  C_TTR_10  OG_TTR_11     1 9.899950e-04 1.713029e-06 ; 0.346488  1.430347e-01     0.250166        0.000647      0.004451  2.411251e-04       False fibril_MD        77        82
+  C_TTR_10   C_TTR_11     1 4.780731e-03 2.649742e-05 ; 0.420680  2.156378e-01     0.118971        0.000235      0.004451  1.097406e-02       False fibril_MD        77        83
+  C_TTR_10  O1_TTR_11     1 1.032196e-03 1.917104e-06 ; 0.350602  1.389373e-01     0.078605        0.000227      0.004451  2.411251e-04       False fibril_MD        77        84
+  C_TTR_10  O2_TTR_11     1 1.032196e-03 1.917104e-06 ; 0.350602  1.389373e-01     0.078605        0.000227      0.004451  2.411251e-04       False fibril_MD        77        85
+  O_TTR_10   O_TTR_10     1 3.701669e-03 1.919043e-05 ; 0.416020  1.785050e-01     0.838580        0.000495      0.004451  2.411251e-04       False fibril_MD        78        78
+  O_TTR_10   N_TTR_11     1 3.291483e-04 8.738590e-08 ; 0.253518  3.099430e-01     0.998727        0.000154      0.004451  1.097431e-02       False fibril_MD        78        79
+  O_TTR_10  CA_TTR_11     1 1.687528e-03 2.377390e-06 ; 0.334818  2.994620e-01     0.999144        0.000843      0.004451  8.927106e-03       False fibril_MD        78        80
+  O_TTR_10  CB_TTR_11     1 5.219298e-04 4.164010e-07 ; 0.304544  1.635507e-01     0.997784        0.001098      0.004451  2.411251e-04       False fibril_MD        78        81
+  O_TTR_10  OG_TTR_11     1 1.613340e-04 3.946529e-08 ; 0.250082  1.648832e-01     0.701229        0.000730      0.004451  2.411251e-04       False fibril_MD        78        82
+  O_TTR_10   C_TTR_11     1 1.566076e-03 3.506715e-06 ; 0.361700  1.748498e-01     0.485922        0.000334      0.004451  2.411251e-04       False fibril_MD        78        83
+  O_TTR_10  O1_TTR_11     1 6.365710e-04 6.730548e-07 ; 0.319179  1.505162e-01     0.555484        0.001052      0.004451  2.411251e-04       False fibril_MD        78        84
+  O_TTR_10  O2_TTR_11     1 6.365710e-04 6.730548e-07 ; 0.319179  1.505162e-01     0.555484        0.001052      0.004451  2.411251e-04       False fibril_MD        78        85
+  N_TTR_11   N_TTR_11     1 2.505304e-03 9.241151e-06 ; 0.393077  1.697988e-01     0.042296        0.000013      0.004451  1.097423e-02       False fibril_MD        79        79
+  N_TTR_11  CA_TTR_11     1 7.013469e-03 4.113794e-05 ; 0.424670  2.989256e-01     0.986587        0.000358      0.004451  8.927042e-03       False fibril_MD        79        80
+  N_TTR_11  CB_TTR_11     1 6.391920e-03 3.452565e-05 ; 0.418876  2.958426e-01     0.812012        0.000610      0.004451  9.945528e-03       False fibril_MD        79        81
+  N_TTR_11  OG_TTR_11     1 2.144836e-03 5.368896e-06 ; 0.368481  2.142116e-01     0.115202        0.000415      0.004451  1.097429e-02       False fibril_MD        79        82
+  N_TTR_11   C_TTR_11     1 3.447958e-03 1.438303e-05 ; 0.401219  2.066396e-01     0.097112        0.000227      0.004451  1.097414e-02       False fibril_MD        79        83
+  N_TTR_11  O1_TTR_11     1 4.323786e-04 2.426713e-07 ; 0.287205  1.925971e-01     0.070742        0.000234      0.004451  1.097435e-02       False fibril_MD        79        84
+  N_TTR_11  O2_TTR_11     1 4.323786e-04 2.426713e-07 ; 0.287205  1.925971e-01     0.070742        0.000234      0.004451  1.097435e-02       False fibril_MD        79        85
+ CA_TTR_11  CA_TTR_11     1 7.905854e-03 5.388345e-05 ; 0.435429  2.899894e-01     0.999756        0.001764      0.004451  7.281617e-03       False fibril_MD        80        80
+ CA_TTR_11  CB_TTR_11     1 3.222900e-03 8.806830e-06 ; 0.373906  2.948588e-01     0.999883        0.002762      0.004451  8.099766e-03       False fibril_MD        80        81
+ CA_TTR_11  OG_TTR_11     1 2.497313e-03 5.237462e-06 ; 0.357773  2.976906e-01     0.958249        0.001906      0.004451  8.927088e-03       False fibril_MD        80        82
+ CA_TTR_11   C_TTR_11     1 7.158080e-03 4.287006e-05 ; 0.426147  2.987989e-01     0.983651        0.001328      0.004451  8.926971e-03       False fibril_MD        80        83
+ CA_TTR_11  O1_TTR_11     1 1.814412e-03 2.855534e-06 ; 0.341056  2.882204e-01     0.766371        0.001023      0.004451  8.927140e-03       False fibril_MD        80        84
+ CA_TTR_11  O2_TTR_11     1 1.814412e-03 2.855534e-06 ; 0.341056  2.882204e-01     0.766371        0.001023      0.004451  8.927140e-03       False fibril_MD        80        85
+ CB_TTR_11  CB_TTR_11     1 5.465609e-03 2.492505e-05 ; 0.407224  2.996271e-01     0.991474        0.001600      0.004451  9.017767e-03       False fibril_MD        81        81
+ CB_TTR_11  OG_TTR_11     1 1.481779e-03 1.847699e-06 ; 0.328076  2.970816e-01     0.835535        0.001445      0.004451  9.945580e-03       False fibril_MD        81        82
+ CB_TTR_11   C_TTR_11     1 2.814725e-03 6.536155e-06 ; 0.363899  3.030328e-01     0.958415        0.001847      0.004451  9.945448e-03       False fibril_MD        81        83
+ CB_TTR_11  O1_TTR_11     1 1.061380e-03 1.029446e-06 ; 0.314622  2.735763e-01     0.485993        0.001329      0.004451  9.945638e-03       False fibril_MD        81        84
+ CB_TTR_11  O2_TTR_11     1 1.061380e-03 1.029446e-06 ; 0.314622  2.735763e-01     0.485993        0.001329      0.004451  9.945638e-03       False fibril_MD        81        85
+ OG_TTR_11  OG_TTR_11     1 2.800630e-04 7.428211e-08 ; 0.253477  2.639777e-01     0.354056        0.000598      0.004451  1.097435e-02       False fibril_MD        82        82
+ OG_TTR_11   C_TTR_11     1 1.244753e-03 1.649555e-06 ; 0.331421  2.348223e-01     0.183404        0.001237      0.004451  1.097420e-02       False fibril_MD        82        83
+ OG_TTR_11  O1_TTR_11     1 9.364110e-05 2.173970e-08 ; 0.247912  1.008369e-01     0.065483        0.000982      0.004451  2.411251e-04       False fibril_MD        82        84
+ OG_TTR_11  O2_TTR_11     1 9.364110e-05 2.173970e-08 ; 0.247912  1.008369e-01     0.065483        0.000982      0.004451  2.411251e-04       False fibril_MD        82        85
+  C_TTR_11   C_TTR_11     1 5.530046e-03 2.713181e-05 ; 0.412216  2.817855e-01     0.529135        0.000226      0.004451  1.097406e-02       False fibril_MD        83        83
+  C_TTR_11  O1_TTR_11     1 1.853497e-03 3.055636e-06 ; 0.343704  2.810751e-01     0.520712        0.000312      0.004451  1.097427e-02       False fibril_MD        83        84
+  C_TTR_11  O2_TTR_11     1 1.853497e-03 3.055636e-06 ; 0.343704  2.810751e-01     0.520712        0.000312      0.004451  1.097427e-02       False fibril_MD        83        85
+ O1_TTR_11  O1_TTR_11     1 8.565872e-04 1.105315e-06 ; 0.329953  1.659576e-01     0.611771        0.000609      0.004451  2.411251e-04       False fibril_MD        84        84
+ O1_TTR_11  O2_TTR_11     1 8.565872e-04 1.105315e-06 ; 0.329953  1.659576e-01     0.611771        0.000609      0.004451  2.411251e-04       False fibril_MD        84        85
+ O2_TTR_11  O2_TTR_11     1 8.565872e-04 1.105315e-06 ; 0.329953  1.659576e-01     0.611771        0.000609      0.004451  2.411251e-04       False fibril_MD        85        85
\ No newline at end of file
diff --git a/test/test_outputs/ttrref/case_1/topol_mego.top b/test/test_outputs/ttrref/case_1/topol_mego.top
index 6a5917f..5fa09b2 100644
--- a/test/test_outputs/ttrref/case_1/topol_mego.top
+++ b/test/test_outputs/ttrref/case_1/topol_mego.top
@@ -706,6 +706,7 @@ TTR			3
     9  83     1 4.797217e-04 7.126008e-07 ; 2.329160e-03    1.762492e-03    native_MD
     9  84     1 2.304448e-04 1.757091e-07 ; 1.826880e-03    1.126357e-03    native_MD
     9  85     1 2.304448e-04 1.757091e-07 ; 1.826880e-03    1.126357e-03    native_MD
+   10  11     1 0.000000e+00 1.141961e-06 ; 0.000000e+00    0.000000e+00    native_MD
    10  14     1 0.000000e+00 5.735738e-06 ; 0.000000e+00    6.910750e-05 fibril_check
    10  15     1 0.000000e+00 5.735738e-06 ; 0.000000e+00    4.719225e-04 fibril_check
    10  16     1 0.000000e+00 4.103762e-07 ; 2.906351e-02    7.737800e-04    native_MD
@@ -768,8 +769,8 @@ TTR			3
    12  35     1 3.477428e-04 2.748378e-07 ; 1.659470e-03    1.319459e-02    native_MD
    12  59     1 0.000000e+00 2.813848e-06 ; 1.674420e-03    6.020625e-04    native_MD
    12  76     1 1.445341e-04 7.117869e-08 ; 1.648882e-03    1.235755e-03    native_MD
-   12  84     1 0.000000e+00 2.428469e-06 ; 9.990300e-02    9.630000e-04    fibril_MD
-   12  85     1 0.000000e+00 2.428469e-06 ; 9.990300e-02    9.630000e-04    fibril_MD
+   12  84     1 0.000000e+00 2.428469e-06 ; 9.990300e-02    1.115000e-03    fibril_MD
+   12  85     1 0.000000e+00 2.428469e-06 ; 9.990300e-02    1.115000e-03    fibril_MD
    13  16     1 0.000000e+00 5.766073e-08 ; 9.345326e-01    8.718842e-01    native_MD
    13  17     1 0.000000e+00 2.386346e-07 ; 9.967330e-01    9.946080e-01    native_MD
    13  20     1 0.000000e+00 3.002258e-07 ; 1.000000e+00    9.999955e-01    native_MD
@@ -802,7 +803,7 @@ TTR			3
    14  42     1 2.547849e-03 1.497752e-05 ; 1.701895e-02    1.086063e-02    native_MD
    14  43     1 2.547849e-03 1.497752e-05 ; 1.701895e-02    1.086063e-02    native_MD
    14  56     1 8.390793e-04 2.023764e-06 ; 3.791982e-03    5.741907e-03    native_MD
-   14  63     1 2.967772e-03 2.321234e-05 ; 7.295200e-01    2.517000e-03    fibril_MD
+   14  63     1 2.967772e-03 2.321234e-05 ; 7.295200e-01    3.347000e-03    fibril_MD
    14  76     1 8.236955e-04 1.866999e-06 ; 4.051690e-03    3.073830e-03    native_MD
    15  19     1 0.000000e+00 3.330851e-07 ; 9.999990e-01    9.999988e-01 fibril_check
    15  20     1 0.000000e+00 2.673569e-06 ; 1.000000e+00    1.000000e+00    native_MD
@@ -832,7 +833,7 @@ TTR			3
    15  55     1 2.239321e-03 1.439716e-05 ; 6.061985e-03    7.113677e-03    native_MD
    15  56     1 1.452321e-03 6.132205e-06 ; 5.451030e-03    8.692053e-03    native_MD
    15  61     1 4.235967e-03 6.019921e-05 ; 2.706560e-03    6.314255e-03    native_MD
-   15  62     1 2.967772e-03 2.321234e-05 ; 9.999590e-01    2.823000e-03    fibril_MD
+   15  62     1 2.967772e-03 2.321234e-05 ; 9.999590e-01    3.778000e-03    fibril_MD
    15  63     1 1.936566e-03 1.335951e-05 ; 2.281630e-03    8.353497e-03    native_MD
    15  64     1 1.782998e-03 9.618374e-06 ; 3.340147e-03    6.354097e-03    native_MD
    15  65     1 8.289891e-04 2.350393e-06 ; 1.647005e-03    1.157900e-03    native_MD
@@ -956,8 +957,8 @@ TTR			3
    21  56     1 2.582972e-03 1.414736e-05 ; 3.709218e-02    1.104751e-02    native_MD
    21  57     1 1.259728e-03 3.467134e-06 ; 1.431269e-02    6.714742e-03    native_MD
    21  61     1 3.242343e-03 3.036207e-05 ; 3.483857e-03    3.988865e-03    native_MD
-   21  63     1 2.967772e-03 2.321234e-05 ; 8.731140e-01    2.102000e-03    fibril_MD
-   21  64     1 2.967772e-03 2.321234e-05 ; 5.772100e-02    1.258000e-03    fibril_MD
+   21  63     1 2.967772e-03 2.321234e-05 ; 8.731140e-01    2.668000e-03    fibril_MD
+   21  64     1 2.967772e-03 2.321234e-05 ; 5.772100e-02    1.619000e-03    fibril_MD
    21  76     1 7.636113e-04 1.652850e-06 ; 3.541490e-03    4.319417e-03    native_MD
    22  27     1 0.000000e+00 4.153495e-07 ; 1.000000e+00    1.000000e+00    native_MD
    22  28     1 0.000000e+00 3.519484e-06 ; 9.999973e-01    9.999975e-01    native_MD
@@ -983,8 +984,8 @@ TTR			3
    22  56     1 1.566878e-03 5.246336e-06 ; 4.775940e-02    1.491859e-02    native_MD
    22  57     1 7.411064e-04 1.103559e-06 ; 3.002464e-02    8.484297e-03    native_MD
    22  61     1 4.151081e-03 4.641179e-05 ; 7.240337e-03    6.205412e-03    native_MD
-   22  62     1 2.967772e-03 2.321234e-05 ; 2.158400e-02    2.530000e-03    fibril_MD
-   22  63     1 2.967772e-03 2.321234e-05 ; 6.855500e-02    2.917000e-03    fibril_MD
+   22  62     1 2.967772e-03 2.321234e-05 ; 2.158400e-02    3.060000e-03    fibril_MD
+   22  63     1 2.967772e-03 2.321234e-05 ; 6.855500e-02    3.618000e-03    fibril_MD
    22  64     1 2.454247e-03 1.301175e-05 ; 2.519748e-02    8.409400e-03    native_MD
    22  73     1 6.770356e-04 1.133459e-06 ; 6.813177e-03    4.617282e-03    native_MD
    22  74     1 6.770356e-04 1.133459e-06 ; 6.813177e-03    4.617282e-03    native_MD
@@ -1155,11 +1156,11 @@ TTR			3
    29  49     1 2.262210e-03 1.383892e-05 ; 9.562680e-02    8.363018e-02    native_MD
    29  50     1 1.640257e-03 6.160902e-06 ; 6.784898e-02    4.153558e-02    native_MD
    29  51     1 1.640257e-03 6.160902e-06 ; 6.784898e-02    4.153558e-02    native_MD
-   29  52     1 2.311264e-03 1.342229e-05 ; 5.434000e-03    3.060000e-04    fibril_MD
+   29  52     1 2.311264e-03 1.342229e-05 ; 5.434000e-03    6.120000e-04    fibril_MD
    29  53     1 6.018961e-04 9.102638e-07 ; 3.443590e-03    2.348906e-02    native_MD
    29  61     1 2.247971e-03 1.586083e-05 ; 4.475835e-03    7.884227e-03    native_MD
-   29  63     1 2.967772e-03 2.321234e-05 ; 9.863040e-01    2.202000e-03    fibril_MD
-   29  64     1 2.967772e-03 2.321234e-05 ; 9.501700e-01    1.561000e-03    fibril_MD
+   29  63     1 2.967772e-03 2.321234e-05 ; 9.863040e-01    3.641000e-03    fibril_MD
+   29  64     1 2.967772e-03 2.321234e-05 ; 9.501700e-01    2.493000e-03    fibril_MD
    29  73     1 6.840661e-04 1.220625e-06 ; 5.414447e-03    6.517150e-03    native_MD
    29  74     1 6.840661e-04 1.220625e-06 ; 5.414447e-03    6.517150e-03    native_MD
    29  75     1 1.332231e-03 4.865201e-06 ; 5.081828e-03    7.739525e-03    native_MD
@@ -1178,14 +1179,14 @@ TTR			3
    30  43     1 0.000000e+00 2.581832e-06 ; 5.487098e-02    3.224278e-02    native_MD
    30  44     1 0.000000e+00 2.830058e-06 ; 0.000000e+00    4.574107e-02 fibril_check
    30  45     1 0.000000e+00 1.228303e-06 ; 3.047286e-02    4.998782e-02    native_MD
-   30  47     1 2.649386e-03 1.763709e-05 ; 9.149010e-01    8.950000e-04    fibril_MD
+   30  47     1 2.649386e-03 1.763709e-05 ; 9.149010e-01    2.241000e-03    fibril_MD
    30  48     1 1.506291e-03 5.244833e-06 ; 6.424503e-02    5.477231e-02    native_MD
    30  49     1 1.608952e-03 6.240625e-06 ; 8.849369e-02    7.148712e-02    native_MD
    30  50     1 1.121042e-03 2.608869e-06 ; 6.636088e-02    4.067754e-02    native_MD
    30  51     1 1.121042e-03 2.608869e-06 ; 6.636088e-02    4.067754e-02    native_MD
    30  52     1 5.101580e-04 9.120287e-07 ; 3.591487e-03    2.200936e-02    native_MD
    30  53     1 2.108730e-04 1.010653e-07 ; 2.933087e-03    2.074194e-02    native_MD
-   30  54     1 7.147369e-04 1.161058e-06 ; 2.623610e-01    3.340000e-04    fibril_MD
+   30  54     1 7.147369e-04 1.161058e-06 ; 2.623610e-01    6.600000e-04    fibril_MD
    30  55     1 1.384955e-03 5.771979e-06 ; 1.129974e-02    2.597646e-02    native_MD
    30  56     1 9.125940e-04 2.086931e-06 ; 1.709402e-02    2.191772e-02    native_MD
    30  57     1 3.962924e-04 3.877905e-07 ; 9.526297e-03    1.436075e-02    native_MD
@@ -1204,7 +1205,7 @@ TTR			3
    31  44     1 0.000000e+00 7.364031e-07 ; 0.000000e+00    9.126807e-02 fibril_check
    31  45     1 0.000000e+00 5.662536e-07 ; 0.000000e+00    5.375304e-02 fibril_check
    31  47     1 2.224703e-03 1.169997e-05 ; 8.278970e-02    6.028362e-02    native_MD
-   31  48     1 1.299384e-03 4.024781e-06 ; 2.608110e-01    1.280000e-04    fibril_MD
+   31  48     1 1.299384e-03 4.024781e-06 ; 2.608110e-01    3.670000e-04    fibril_MD
    31  49     1 1.843113e-03 7.817305e-06 ; 7.554967e-02    4.752656e-02    native_MD
    31  50     1 1.133682e-03 2.531690e-06 ; 3.583313e-02    1.620607e-02    native_MD
    31  51     1 1.133682e-03 2.531690e-06 ; 3.583313e-02    1.620607e-02    native_MD
@@ -2268,6 +2269,7 @@ TTR			3
     9  83
     9  84
     9  85
+   10  11
    10  14
    10  15
    10  16

From 4e02eba3afa3228dc2d999aac9cf2848eba09451 Mon Sep 17 00:00:00 2001
From: Carlo Camilloni <carlo.camilloni@gmail.com>
Date: Wed, 11 Dec 2024 23:23:27 +0100
Subject: [PATCH 2/2] reoptimized sigma value for prior LJ

---
 src/multiego/ensemble.py                   |  12 +-
 src/multiego/resources/type_definitions.py | 134 +++++++++++----------
 src/multiego/topology.py                   |   2 +-
 3 files changed, 76 insertions(+), 72 deletions(-)

diff --git a/src/multiego/ensemble.py b/src/multiego/ensemble.py
index 6e4beee..3f174b8 100644
--- a/src/multiego/ensemble.py
+++ b/src/multiego/ensemble.py
@@ -782,7 +782,7 @@ def init_LJ_datasets(meGO_ensemble, matrices, pairs14, exclusion_bonds14, args):
 
     pairwise_c12 = np.where(
         oxygen_mask,
-        11.4 * np.sqrt(type_ai_mapped.map(type_to_c12) * type_aj_mapped.map(type_to_c12)),
+        (11.4 / 0.9**12) * np.sqrt(type_ai_mapped.map(type_to_c12) * type_aj_mapped.map(type_to_c12)),
         np.sqrt(
             train_dataset["ai"].map(meGO_ensemble["sbtype_c12_dict"])
             * train_dataset["aj"].map(meGO_ensemble["sbtype_c12_dict"])
@@ -792,7 +792,7 @@ def init_LJ_datasets(meGO_ensemble, matrices, pairs14, exclusion_bonds14, args):
 
     pairwise_mg_sigma = np.where(
         oxygen_mask,
-        (11.4 * np.sqrt(type_ai_mapped.map(type_to_c12) * type_aj_mapped.map(type_to_c12))) ** (1 / 12),
+        ((11.4 / 0.9**12) * np.sqrt(type_ai_mapped.map(type_to_c12) * type_aj_mapped.map(type_to_c12))) ** (1 / 12),
         (
             train_dataset["ai"].map(meGO_ensemble["sbtype_mg_c12_dict"])
             * train_dataset["aj"].map(meGO_ensemble["sbtype_mg_c12_dict"])
@@ -807,7 +807,7 @@ def init_LJ_datasets(meGO_ensemble, matrices, pairs14, exclusion_bonds14, args):
 
     pairwise_mg_epsilon = np.where(
         oxygen_mask,
-        -11.4 * np.sqrt(type_ai_mapped.map(type_to_c12) * type_aj_mapped.map(type_to_c12)),
+        -(11.4 / 0.9**12) * np.sqrt(type_ai_mapped.map(type_to_c12) * type_aj_mapped.map(type_to_c12)),
         (
             train_dataset["ai"].map(meGO_ensemble["sbtype_mg_c6_dict"])
             * train_dataset["aj"].map(meGO_ensemble["sbtype_mg_c6_dict"])
@@ -841,7 +841,7 @@ def generate_OO_LJ(meGO_ensemble):
     rc_LJ = pd.DataFrame(combinations, columns=["ai", "aj"])
     rc_LJ["type"] = 1
     rc_LJ["c6"] = 0.0
-    rc_LJ["c12"] = 11.4 * np.sqrt(
+    rc_LJ["c12"] = (11.4 / 0.9**12) * np.sqrt(
         rc_LJ["ai"].map(meGO_ensemble["sbtype_c12_dict"]) * rc_LJ["aj"].map(meGO_ensemble["sbtype_c12_dict"])
     )
     rc_LJ["same_chain"] = False
@@ -1540,7 +1540,9 @@ def make_pairs_exclusion_topology(meGO_ensemble, meGO_LJ_14, args):
                     | (df["aj"].map(meGO_ensemble["sbtype_type_dict"]) == "O")
                 ),
                 "c12",
-            ] *= 11.4
+            ] *= (
+                11.4 / 0.9**12
+            )
             df["same_chain"] = True
             df["probability"] = 1.0
             df["rc_probability"] = 1.0
diff --git a/src/multiego/resources/type_definitions.py b/src/multiego/resources/type_definitions.py
index e151683..4f3604b 100644
--- a/src/multiego/resources/type_definitions.py
+++ b/src/multiego/resources/type_definitions.py
@@ -6,6 +6,8 @@
 mg_eps = 0.110
 mg_eps_ch2 = 0.100
 mg_eps_ch1 = 0.090
+sig6 = 0.9**6
+sig12 = 0.9**12
 # Dataframe with GROMOS atom types and associated parameters
 gromos_atp = pd.DataFrame(
     {
@@ -35,76 +37,76 @@
         ],
         "at.num": [8, 8, 8, 7, 7, 7, 7, 7, 7, 6, 6, 6, 6, 6, 6, 6, 16, 6, 15, 8, 6, 20],
         "rc_c12": [
-            2.631580e-07,  # "O",
-            1.724403e-07,  # "OM",
-            5.018430e-07,  # "OA",
-            8.752940e-07,  # "N",
-            2.596154e-06,  # "NT",
-            8.752940e-07,  # "NL",
-            1.506347e-06,  # "NR",
-            8.752940e-07,  # "NZ",
-            8.752940e-07,  # "NE",
-            2.598570e-06,  # "C",
-            2.598570e-06,  # "CH"
-            6.555574e-05,  # "CH1"
-            6.555574e-05,  # "CH1a"
-            1.543890e-05,  # "CH2"
-            8.595562e-06,  # "CH3"
-            1.193966e-05,  # "CH2r"
-            2.724050e-06,  # "S",
-            8.736473e-06,  # "CH3p"
-            3.893600e-06,  # "P",
-            3.558824e-07,  # "OE",
-            6.298560e-06,  # "CR1",
-            2.659360e-07,  # "C0",
+            2.631580e-07 * sig12,  # "O",
+            1.724403e-07 * sig12,  # "OM",
+            5.018430e-07 * sig12,  # "OA",
+            8.752940e-07 * sig12,  # "N",
+            2.596154e-06 * sig12,  # "NT",
+            8.752940e-07 * sig12,  # "NL",
+            1.506347e-06 * sig12,  # "NR",
+            8.752940e-07 * sig12,  # "NZ",
+            8.752940e-07 * sig12,  # "NE",
+            2.598570e-06 * sig12,  # "C",
+            2.598570e-06 * sig12,  # "CH"
+            6.555574e-05 * sig12,  # "CH1"
+            6.555574e-05 * sig12,  # "CH1a"
+            1.543890e-05 * sig12,  # "CH2"
+            8.595562e-06 * sig12,  # "CH3"
+            1.193966e-05 * sig12,  # "CH2r"
+            2.724050e-06 * sig12,  # "S",
+            8.736473e-06 * sig12,  # "CH3p"
+            3.893600e-06 * sig12,  # "P",
+            3.558824e-07 * sig12,  # "OE",
+            6.298560e-06 * sig12,  # "CR1",
+            2.659360e-07 * sig12,  # "C0",
         ],
         "mg_c12": [
-            1e-06 / 1.27911 * mg_eps,  # "O",
-            7.4149321e-07 / 1.72504 * mg_eps,  # "OM",
-            1.505529e-06 / 0.84961 * mg_eps,  # "OA",
-            2.319529e-06 / 0.63980 * mg_eps,  # "N",
-            5.0625e-06 / 0.29314 * mg_eps,  # "NT",
-            2.319529e-06 / 0.63980 * mg_eps,  # "NL",
-            3.389281e-06 / 0.43786 * mg_eps,  # "NR",
-            2.319529e-06 / 0.63980 * mg_eps,  # "NZ",
-            2.319529e-06 / 0.63980 * mg_eps,  # "NE",
-            4.937284e-06 / 0.27741 * mg_eps,  # "C",
-            4.937284e-06 / 0.27741 * mg_eps,  # "CH"
-            9.70225e-05 / 0.09489 * mg_eps_ch1,  # "CH1"
-            9.70225e-05 / 0.09489 * mg_eps_ch1,  # "CH1a"
-            3.3965584e-05 / 0.4105 * mg_eps_ch2,  # "CH2"
-            2.6646244e-05 / 0.8671 * mg_eps,  # "CH3"
-            2.8058209e-05 / 0.4792 * mg_eps_ch2,  # "CH2r"
-            1.3075456e-05 / 1.90587 * mg_eps,  # "S",
-            2.6646244e-05 / 0.86715 * mg_eps,  # "CH3p"
-            2.2193521e-05 / 2.44674 * mg_eps,  # "P",
-            1.21e-06 / 1.05711 * mg_eps,  # "OE",
-            1.5116544e-05 / 0.50266 * mg_eps,  # "CR1",
-            0 * mg_eps,  # "C0",
+            1e-06 / 1.27911 * mg_eps * sig12,  # "O",
+            7.4149321e-07 / 1.72504 * mg_eps * sig12,  # "OM",
+            1.505529e-06 / 0.84961 * mg_eps * sig12,  # "OA",
+            2.319529e-06 / 0.63980 * mg_eps * sig12,  # "N",
+            5.0625e-06 / 0.29314 * mg_eps * sig12,  # "NT",
+            2.319529e-06 / 0.63980 * mg_eps * sig12,  # "NL",
+            3.389281e-06 / 0.43786 * mg_eps * sig12,  # "NR",
+            2.319529e-06 / 0.63980 * mg_eps * sig12,  # "NZ",
+            2.319529e-06 / 0.63980 * mg_eps * sig12,  # "NE",
+            4.937284e-06 / 0.27741 * mg_eps * sig12,  # "C",
+            4.937284e-06 / 0.27741 * mg_eps * sig12,  # "CH"
+            9.70225e-05 / 0.09489 * mg_eps_ch1 * sig12,  # "CH1"
+            9.70225e-05 / 0.09489 * mg_eps_ch1 * sig12,  # "CH1a"
+            3.3965584e-05 / 0.4105 * mg_eps_ch2 * sig12,  # "CH2"
+            2.6646244e-05 / 0.8671 * mg_eps * sig12,  # "CH3"
+            2.8058209e-05 / 0.4792 * mg_eps_ch2 * sig12,  # "CH2r"
+            1.3075456e-05 / 1.90587 * mg_eps * sig12,  # "S",
+            2.6646244e-05 / 0.86715 * mg_eps * sig12,  # "CH3p"
+            2.2193521e-05 / 2.44674 * mg_eps * sig12,  # "P",
+            1.21e-06 / 1.05711 * mg_eps * sig12,  # "OE",
+            1.5116544e-05 / 0.50266 * mg_eps * sig12,  # "CR1",
+            0 * mg_eps * sig12,  # "C0",
         ],
         "mg_c6": [
-            0.0022619536 / 1.27911 * mg_eps,  # "O",
-            0.0022619536 / 1.72504 * mg_eps,  # "OM",
-            0.0022619536 / 0.84961 * mg_eps,  # "OA",
-            0.0024364096 / 0.63980 * mg_eps,  # "N",
-            0.0024364096 / 0.29314 * mg_eps,  # "NT",
-            0.0024364096 / 0.63980 * mg_eps,  # "NL",
-            0.0024364096 / 0.43786 * mg_eps,  # "NR",
-            0.0024364096 / 0.63980 * mg_eps,  # "NZ",
-            0.0024364096 / 0.63980 * mg_eps,  # "NE",
-            0.0023406244 / 0.27741 * mg_eps,  # "C",
-            0.0023406244 / 0.27741 * mg_eps,  # "CH"
-            0.00606841 / 0.09489 * mg_eps_ch1,  # "CH1"
-            0.00606841 / 0.09489 * mg_eps_ch1,  # "CH1a"
-            0.0074684164 / 0.41054 * mg_eps_ch2,  # "CH2"
-            0.0096138025 / 0.86715 * mg_eps,  # "CH3"
-            0.0073342096 / 0.47928 * mg_eps_ch2,  # "CH2r"
-            0.0099840064 / 1.90587 * mg_eps,  # "S",
-            0.0096138025 / 0.86715 * mg_eps,  # "CH3p"
-            0.01473796 / 2.44674 * mg_eps,  # "P",
-            0.0022619536 / 1.05711 * mg_eps,  # "OE",
-            0.0055130625 / 0.50266 * mg_eps,  # "CR1",
-            0 * mg_eps,  # "C0",
+            0.0022619536 / 1.27911 * mg_eps * sig6,  # "O",
+            0.0022619536 / 1.72504 * mg_eps * sig6,  # "OM",
+            0.0022619536 / 0.84961 * mg_eps * sig6,  # "OA",
+            0.0024364096 / 0.63980 * mg_eps * sig6,  # "N",
+            0.0024364096 / 0.29314 * mg_eps * sig6,  # "NT",
+            0.0024364096 / 0.63980 * mg_eps * sig6,  # "NL",
+            0.0024364096 / 0.43786 * mg_eps * sig6,  # "NR",
+            0.0024364096 / 0.63980 * mg_eps * sig6,  # "NZ",
+            0.0024364096 / 0.63980 * mg_eps * sig6,  # "NE",
+            0.0023406244 / 0.27741 * mg_eps * sig6,  # "C",
+            0.0023406244 / 0.27741 * mg_eps * sig6,  # "CH"
+            0.00606841 / 0.09489 * mg_eps_ch1 * sig6,  # "CH1"
+            0.00606841 / 0.09489 * mg_eps_ch1 * sig6,  # "CH1a"
+            0.0074684164 / 0.41054 * mg_eps_ch2 * sig6,  # "CH2"
+            0.0096138025 / 0.86715 * mg_eps * sig6,  # "CH3"
+            0.0073342096 / 0.47928 * mg_eps_ch2 * sig6,  # "CH2r"
+            0.0099840064 / 1.90587 * mg_eps * sig6,  # "S",
+            0.0096138025 / 0.86715 * mg_eps * sig6,  # "CH3p"
+            0.01473796 / 2.44674 * mg_eps * sig6,  # "P",
+            0.0022619536 / 1.05711 * mg_eps * sig6,  # "OE",
+            0.0055130625 / 0.50266 * mg_eps * sig6,  # "CR1",
+            0 * mg_eps * sig6,  # "C0",
         ],
     }
 )
diff --git a/src/multiego/topology.py b/src/multiego/topology.py
index f783210..03d763e 100644
--- a/src/multiego/topology.py
+++ b/src/multiego/topology.py
@@ -443,7 +443,7 @@ def create_pairs_14_dataframe(atomtype1, atomtype2, c6=0.0, shift=0, prefactor=N
             if constant is not None:
                 pairs_14_c12.append(constant)
             if prefactor is not None:
-                pairs_14_c12.append(prefactor * np.sqrt(line_atomtype1["c12"] * line_atomtype2["c12"]))
+                pairs_14_c12.append((prefactor / 0.9**12) * np.sqrt(line_atomtype1["c12"] * line_atomtype2["c12"]))
 
     pairs_14 = pd.DataFrame(
         columns=[