NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
520301 |
2l5t   |
17284 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l5t
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 648
_Distance_constraint_stats_list.Viol_count 6542
_Distance_constraint_stats_list.Viol_total 25014.496
_Distance_constraint_stats_list.Viol_max 0.644
_Distance_constraint_stats_list.Viol_rms 0.0746
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0354
_Distance_constraint_stats_list.Viol_average_violations_only 0.1159
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 1.101 0.177 17 0 "[ . 1 . 2 . 3 ]"
1 2 TYR 48.206 0.440 22 0 "[ . 1 . 2 . 3 ]"
1 3 GLU 9.704 0.255 12 0 "[ . 1 . 2 . 3 ]"
1 4 PHE 43.987 0.518 27 1 "[ . 1 . 2 . + 3 ]"
1 5 LYS 4.050 0.194 19 0 "[ . 1 . 2 . 3 ]"
1 6 LEU 44.249 0.590 33 4 "[ . 1 . 2 ** 3 -+]"
1 7 PRO 2.417 0.177 21 0 "[ . 1 . 2 . 3 ]"
1 8 ASP 10.575 0.284 27 0 "[ . 1 . 2 . 3 ]"
1 9 ILE 17.325 0.375 16 0 "[ . 1 . 2 . 3 ]"
1 10 GLY 4.740 0.227 10 0 "[ . 1 . 2 . 3 ]"
1 13 VAL 13.465 0.441 16 0 "[ . 1 . 2 . 3 ]"
1 14 THR 2.392 0.268 28 0 "[ . 1 . 2 . 3 ]"
1 15 GLU 23.145 0.410 32 0 "[ . 1 . 2 . 3 ]"
1 16 GLY 15.675 0.281 29 0 "[ . 1 . 2 . 3 ]"
1 17 GLU 15.772 0.395 17 0 "[ . 1 . 2 . 3 ]"
1 18 ILE 42.997 0.528 24 1 "[ . 1 . 2 +. 3 ]"
1 19 VAL 11.596 0.269 27 0 "[ . 1 . 2 . 3 ]"
1 20 ARG 11.998 0.313 20 0 "[ . 1 . 2 . 3 ]"
1 21 TRP 74.746 0.508 28 1 "[ . 1 . 2 . + 3 ]"
1 22 ASP 7.236 0.481 20 0 "[ . 1 . 2 . 3 ]"
1 23 VAL 27.597 0.349 10 0 "[ . 1 . 2 . 3 ]"
1 24 LYS 5.843 0.191 3 0 "[ . 1 . 2 . 3 ]"
1 25 GLU 25.625 0.370 31 0 "[ . 1 . 2 . 3 ]"
1 26 GLY 0.055 0.021 17 0 "[ . 1 . 2 . 3 ]"
1 27 ASP 9.474 0.330 32 0 "[ . 1 . 2 . 3 ]"
1 28 MET 7.775 0.191 23 0 "[ . 1 . 2 . 3 ]"
1 29 VAL 12.270 0.344 32 0 "[ . 1 . 2 . 3 ]"
1 30 GLU 3.334 0.176 31 0 "[ . 1 . 2 . 3 ]"
1 31 LYS 9.679 0.466 11 0 "[ . 1 . 2 . 3 ]"
1 32 ASP 17.933 0.502 11 1 "[ . 1+ . 2 . 3 ]"
1 33 GLN 15.619 0.334 8 0 "[ . 1 . 2 . 3 ]"
1 34 ASP 10.569 0.429 11 0 "[ . 1 . 2 . 3 ]"
1 35 LEU 13.861 0.429 11 0 "[ . 1 . 2 . 3 ]"
1 36 VAL 45.529 0.508 28 1 "[ . 1 . 2 . + 3 ]"
1 37 GLU 7.340 0.276 19 0 "[ . 1 . 2 . 3 ]"
1 38 VAL 22.140 0.399 31 0 "[ . 1 . 2 . 3 ]"
1 39 MET 6.467 0.269 27 0 "[ . 1 . 2 . 3 ]"
1 40 THR 6.270 0.224 14 0 "[ . 1 . 2 . 3 ]"
1 41 ASP 3.237 0.388 25 0 "[ . 1 . 2 . 3 ]"
1 42 LYS 10.731 0.388 25 0 "[ . 1 . 2 . 3 ]"
1 43 VAL 12.729 0.332 4 0 "[ . 1 . 2 . 3 ]"
1 44 THR 18.702 0.284 21 0 "[ . 1 . 2 . 3 ]"
1 45 VAL 21.239 0.294 6 0 "[ . 1 . 2 . 3 ]"
1 46 LYS 7.084 0.303 20 0 "[ . 1 . 2 . 3 ]"
1 47 ILE 17.045 0.360 24 0 "[ . 1 . 2 . 3 ]"
1 48 PRO 8.222 0.309 23 0 "[ . 1 . 2 . 3 ]"
1 49 SER 12.081 0.466 11 0 "[ . 1 . 2 . 3 ]"
1 50 PRO 9.212 0.340 30 0 "[ . 1 . 2 . 3 ]"
1 51 VAL 39.936 0.474 21 0 "[ . 1 . 2 . 3 ]"
1 52 ARG 17.261 0.307 31 0 "[ . 1 . 2 . 3 ]"
1 53 GLY 17.891 0.338 9 0 "[ . 1 . 2 . 3 ]"
1 54 LYS 18.976 0.195 3 0 "[ . 1 . 2 . 3 ]"
1 55 ILE 36.365 0.315 1 0 "[ . 1 . 2 . 3 ]"
1 56 VAL 13.746 0.246 5 0 "[ . 1 . 2 . 3 ]"
1 57 LYS 9.791 0.254 17 0 "[ . 1 . 2 . 3 ]"
1 58 ILE 43.221 0.644 33 3 "[ . 1 . -2 * 3 +]"
1 59 LEU 10.113 0.506 19 1 "[ . 1 . +2 . 3 ]"
1 60 TYR 27.192 0.454 12 0 "[ . 1 . 2 . 3 ]"
1 61 ARG 5.401 0.216 21 0 "[ . 1 . 2 . 3 ]"
1 62 GLU 14.980 0.242 10 0 "[ . 1 . 2 . 3 ]"
1 63 GLY 10.072 0.268 8 0 "[ . 1 . 2 . 3 ]"
1 64 GLN 6.955 0.313 33 0 "[ . 1 . 2 . 3 ]"
1 65 VAL 13.239 0.395 17 0 "[ . 1 . 2 . 3 ]"
1 66 VAL 17.268 0.281 29 0 "[ . 1 . 2 . 3 ]"
1 67 PRO 4.917 0.221 22 0 "[ . 1 . 2 . 3 ]"
1 68 VAL 27.659 0.410 32 0 "[ . 1 . 2 . 3 ]"
1 69 GLY 12.553 0.257 23 0 "[ . 1 . 2 . 3 ]"
1 70 SER 16.855 0.267 26 0 "[ . 1 . 2 . 3 ]"
1 71 THR 8.804 0.247 19 0 "[ . 1 . 2 . 3 ]"
1 72 LEU 34.609 0.590 33 5 "[ . 1 . 2 -** 3 *+]"
1 73 LEU 34.519 0.644 33 3 "[ . 1 . -2 * 3 +]"
1 74 GLN 16.037 0.366 2 0 "[ . 1 . 2 . 3 ]"
1 75 ILE 67.702 0.474 21 0 "[ . 1 . 2 . 3 ]"
1 76 ASP 27.791 0.278 16 0 "[ . 1 . 2 . 3 ]"
1 77 THR 2.231 0.106 28 0 "[ . 1 . 2 . 3 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 TYR H 2.524 2.019 3.029 2.440 2.150 2.971 . 0 0 "[ . 1 . 2 . 3 ]" 1
2 1 1 MET QG 1 2 TYR H 3.631 2.905 4.357 4.063 2.934 4.534 0.177 17 0 "[ . 1 . 2 . 3 ]" 1
3 1 2 TYR HA 1 2 TYR QD 3.849 3.079 4.619 3.002 2.957 3.065 0.122 25 0 "[ . 1 . 2 . 3 ]" 1
4 1 2 TYR QB 1 2 TYR QD 3.095 2.476 3.714 2.180 2.174 2.198 0.302 11 0 "[ . 1 . 2 . 3 ]" 1
5 1 2 TYR H 1 2 TYR QB 2.864 2.291 3.437 2.365 2.226 2.767 0.065 26 0 "[ . 1 . 2 . 3 ]" 1
6 1 2 TYR H 1 2 TYR HA 3.264 2.611 3.917 2.920 2.868 2.973 . 0 0 "[ . 1 . 2 . 3 ]" 1
7 1 2 TYR QE 1 50 PRO QB 5.486 4.389 6.583 6.411 5.717 6.807 0.224 21 0 "[ . 1 . 2 . 3 ]" 1
8 1 2 TYR QB 1 51 VAL QG 4.719 3.775 5.663 3.984 3.674 4.473 0.101 16 0 "[ . 1 . 2 . 3 ]" 1
9 1 2 TYR QD 1 51 VAL HB 4.092 3.274 4.910 5.025 4.640 5.350 0.440 22 0 "[ . 1 . 2 . 3 ]" 1
10 1 2 TYR QE 1 51 VAL QG 4.994 3.975 6.013 3.967 3.638 4.652 0.337 21 0 "[ . 1 . 2 . 3 ]" 1
11 1 2 TYR H 1 75 ILE HA 4.526 3.721 5.331 5.260 4.923 5.483 0.152 3 0 "[ . 1 . 2 . 3 ]" 1
12 1 2 TYR H 1 75 ILE H 4.050 3.245 4.855 4.149 3.630 4.526 . 0 0 "[ . 1 . 2 . 3 ]" 1
13 1 2 TYR H 1 75 ILE HB 3.700 2.960 4.440 4.071 3.846 4.366 . 0 0 "[ . 1 . 2 . 3 ]" 1
14 1 2 TYR QD 1 75 ILE HB 3.937 3.130 4.744 4.374 4.141 5.028 0.284 15 0 "[ . 1 . 2 . 3 ]" 1
15 1 2 TYR H 1 75 ILE MG 4.960 3.968 5.952 3.974 3.859 4.402 0.109 25 0 "[ . 1 . 2 . 3 ]" 1
16 1 2 TYR QB 1 75 ILE HB 3.934 3.147 4.721 3.087 2.835 3.230 0.312 3 0 "[ . 1 . 2 . 3 ]" 1
17 1 2 TYR QD 1 75 ILE MG 6.073 4.858 7.288 4.827 4.594 5.061 0.264 15 0 "[ . 1 . 2 . 3 ]" 1
18 1 2 TYR QD 1 75 ILE QG 7.363 5.890 8.000 5.774 5.588 6.458 0.302 23 0 "[ . 1 . 2 . 3 ]" 1
19 1 2 TYR QE 1 75 ILE MD 6.093 4.874 7.312 5.786 5.486 6.800 . 0 0 "[ . 1 . 2 . 3 ]" 1
20 1 2 TYR H 1 77 THR H 3.920 3.136 4.704 3.271 3.030 3.946 0.106 28 0 "[ . 1 . 2 . 3 ]" 1
21 1 2 TYR H 1 77 THR MG 4.445 3.556 5.334 4.496 3.612 5.386 0.052 10 0 "[ . 1 . 2 . 3 ]" 1
22 1 2 TYR QB 1 77 THR HB 4.081 3.336 4.826 3.797 3.292 4.714 0.044 2 0 "[ . 1 . 2 . 3 ]" 1
23 1 2 TYR QB 1 77 THR MG 4.481 3.585 5.377 4.009 3.561 5.071 0.024 30 0 "[ . 1 . 2 . 3 ]" 1
24 1 2 TYR QB 1 3 GLU H 3.702 2.962 4.442 3.517 2.927 3.743 0.035 15 0 "[ . 1 . 2 . 3 ]" 1
25 1 2 TYR HA 1 3 GLU H 2.514 2.011 3.017 2.207 2.126 2.277 . 0 0 "[ . 1 . 2 . 3 ]" 1
26 1 2 TYR H 1 3 GLU H 4.194 3.355 5.033 4.514 4.343 4.608 . 0 0 "[ . 1 . 2 . 3 ]" 1
27 1 3 GLU H 1 3 GLU QB 3.212 2.550 3.874 2.520 2.437 2.666 0.113 5 0 "[ . 1 . 2 . 3 ]" 1
28 1 3 GLU H 1 3 GLU QG 3.814 3.151 4.477 3.089 2.896 3.438 0.255 12 0 "[ . 1 . 2 . 3 ]" 1
29 1 3 GLU QB 1 71 THR MG 3.214 2.558 3.870 3.295 2.486 3.937 0.072 9 0 "[ . 1 . 2 . 3 ]" 1
30 1 3 GLU QG 1 71 THR MG 4.414 3.551 5.277 3.456 3.329 3.686 0.222 28 0 "[ . 1 . 2 . 3 ]" 1
31 1 3 GLU HA 1 71 THR MG 4.772 3.889 5.655 4.415 3.812 4.875 0.077 4 0 "[ . 1 . 2 . 3 ]" 1
32 1 3 GLU HA 1 74 GLN HA 3.414 2.751 4.077 3.383 2.991 3.678 . 0 0 "[ . 1 . 2 . 3 ]" 1
33 1 3 GLU QG 1 74 GLN HA 4.014 3.351 4.677 3.477 3.243 4.068 0.108 9 0 "[ . 1 . 2 . 3 ]" 1
34 1 3 GLU QG 1 74 GLN QG 3.014 2.451 3.577 3.161 2.429 3.783 0.206 23 0 "[ . 1 . 2 . 3 ]" 1
35 1 3 GLU QB 1 4 PHE H 3.155 2.524 3.786 3.203 2.983 3.508 . 0 0 "[ . 1 . 2 . 3 ]" 1
36 1 3 GLU QG 1 4 PHE H 4.350 3.480 5.220 4.110 3.865 4.395 . 0 0 "[ . 1 . 2 . 3 ]" 1
37 1 3 GLU HA 1 4 PHE H 2.446 . 2.935 2.169 2.134 2.204 . 0 0 "[ . 1 . 2 . 3 ]" 1
38 1 4 PHE HA 1 4 PHE QD 3.597 2.878 4.316 2.532 2.360 2.715 0.518 27 1 "[ . 1 . 2 . + 3 ]" 1
39 1 4 PHE H 1 4 PHE HA 3.318 2.654 3.982 2.937 2.884 2.965 . 0 0 "[ . 1 . 2 . 3 ]" 1
40 1 4 PHE H 1 4 PHE QB 2.986 2.389 3.583 2.267 2.213 2.366 0.176 4 0 "[ . 1 . 2 . 3 ]" 1
41 1 4 PHE QB 1 4 PHE QE 4.509 3.607 5.411 3.990 3.967 4.003 . 0 0 "[ . 1 . 2 . 3 ]" 1
42 1 4 PHE QE 1 18 ILE MG 7.000 5.400 8.600 6.457 5.792 6.919 . 0 0 "[ . 1 . 2 . 3 ]" 1
43 1 4 PHE QD 1 21 TRP HZ3 3.994 3.195 4.793 5.012 4.743 5.122 0.329 31 0 "[ . 1 . 2 . 3 ]" 1
44 1 4 PHE QD 1 21 TRP HH2 3.694 3.069 4.319 4.362 3.973 4.527 0.208 31 0 "[ . 1 . 2 . 3 ]" 1
45 1 4 PHE QE 1 21 TRP HH2 3.233 2.621 3.845 3.559 2.727 3.897 0.052 26 0 "[ . 1 . 2 . 3 ]" 1
46 1 4 PHE HZ 1 36 VAL QG 5.194 4.155 6.233 4.076 3.942 4.301 0.213 5 0 "[ . 1 . 2 . 3 ]" 1
47 1 4 PHE H 1 71 THR HA 4.952 4.017 5.887 4.877 3.977 5.723 0.040 2 0 "[ . 1 . 2 . 3 ]" 1
48 1 4 PHE H 1 71 THR MG 3.973 3.178 4.768 4.517 3.629 4.911 0.143 7 0 "[ . 1 . 2 . 3 ]" 1
49 1 4 PHE H 1 73 LEU QD 5.407 4.526 6.288 4.961 4.629 5.266 . 0 0 "[ . 1 . 2 . 3 ]" 1
50 1 4 PHE QB 1 73 LEU QB 4.554 3.623 5.485 3.614 3.367 5.278 0.256 17 0 "[ . 1 . 2 . 3 ]" 1
51 1 4 PHE QB 1 73 LEU QD 5.160 4.128 6.192 4.125 3.765 4.379 0.363 33 0 "[ . 1 . 2 . 3 ]" 1
52 1 4 PHE QE 1 73 LEU QD 4.160 3.328 4.992 5.052 4.433 5.224 0.232 5 0 "[ . 1 . 2 . 3 ]" 1
53 1 4 PHE H 1 74 GLN HA 3.976 3.261 4.691 4.187 3.637 4.698 0.007 22 0 "[ . 1 . 2 . 3 ]" 1
54 1 4 PHE QB 1 5 LYS H 3.820 3.056 4.584 3.857 3.737 3.962 . 0 0 "[ . 1 . 2 . 3 ]" 1
55 1 4 PHE HA 1 5 LYS H 2.436 . 2.923 2.128 2.096 2.170 . 0 0 "[ . 1 . 2 . 3 ]" 1
56 1 5 LYS H 1 5 LYS QB 3.213 2.530 3.896 2.534 2.426 2.978 0.104 17 0 "[ . 1 . 2 . 3 ]" 1
57 1 5 LYS H 1 6 LEU H 5.263 4.210 6.316 4.411 4.109 4.559 0.101 7 0 "[ . 1 . 2 . 3 ]" 1
58 1 5 LYS QB 1 6 LEU H 3.581 2.865 4.297 3.087 2.671 3.724 0.194 19 0 "[ . 1 . 2 . 3 ]" 1
59 1 5 LYS HA 1 71 THR HA 3.090 2.472 3.708 3.479 2.866 3.899 0.191 16 0 "[ . 1 . 2 . 3 ]" 1
60 1 5 LYS QB 1 71 THR HA 4.890 4.072 5.708 4.323 3.928 4.932 0.144 13 0 "[ . 1 . 2 . 3 ]" 1
61 1 5 LYS HA 1 6 LEU H 2.611 2.089 3.133 2.227 2.125 2.506 . 0 0 "[ . 1 . 2 . 3 ]" 1
62 1 6 LEU H 1 6 LEU QB 3.255 2.624 3.886 2.292 2.187 2.444 0.437 23 0 "[ . 1 . 2 . 3 ]" 1
63 1 6 LEU H 1 6 LEU QD 4.646 3.717 5.575 3.686 3.288 3.843 0.429 5 0 "[ . 1 . 2 . 3 ]" 1
64 1 6 LEU H 1 6 LEU HA 3.055 2.444 3.666 2.827 2.651 2.969 . 0 0 "[ . 1 . 2 . 3 ]" 1
65 1 6 LEU HG 1 38 VAL HB 4.555 3.744 5.366 5.263 4.113 5.552 0.186 24 0 "[ . 1 . 2 . 3 ]" 1
66 1 6 LEU H 1 69 GLY H 4.566 3.593 5.539 4.934 4.054 5.350 . 0 0 "[ . 1 . 2 . 3 ]" 1
67 1 6 LEU QB 1 69 GLY H 3.846 3.057 4.635 4.312 3.726 4.486 . 0 0 "[ . 1 . 2 . 3 ]" 1
68 1 6 LEU H 1 72 LEU QD 4.179 3.343 5.015 3.178 2.753 3.551 0.590 33 4 "[ . 1 . 2 ** 3 -+]" 1
69 1 6 LEU H 1 72 LEU HG 4.479 3.643 5.315 4.190 3.567 5.693 0.378 32 0 "[ . 1 . 2 . 3 ]" 1
70 1 6 LEU H 1 72 LEU QB 4.658 3.822 5.494 5.126 4.508 5.878 0.384 33 0 "[ . 1 . 2 . 3 ]" 1
71 1 6 LEU QB 1 72 LEU QD 3.745 2.961 4.529 3.010 2.570 3.773 0.391 27 0 "[ . 1 . 2 . 3 ]" 1
72 1 7 PRO QD 1 47 ILE MG 4.665 3.732 5.598 4.602 3.657 5.611 0.075 7 0 "[ . 1 . 2 . 3 ]" 1
73 1 7 PRO QG 1 8 ASP H 3.736 2.989 4.483 4.381 3.101 4.630 0.147 4 0 "[ . 1 . 2 . 3 ]" 1
74 1 7 PRO HA 1 8 ASP H 2.643 2.114 3.172 2.325 2.154 3.349 0.177 21 0 "[ . 1 . 2 . 3 ]" 1
75 1 7 PRO QB 1 8 ASP H 3.569 2.855 4.283 2.997 2.771 3.883 0.084 30 0 "[ . 1 . 2 . 3 ]" 1
76 1 8 ASP H 1 8 ASP QB 2.776 2.221 3.331 2.430 2.214 3.251 0.007 27 0 "[ . 1 . 2 . 3 ]" 1
77 1 8 ASP H 1 8 ASP HA 2.915 2.332 3.498 2.838 2.314 2.953 0.018 21 0 "[ . 1 . 2 . 3 ]" 1
78 1 8 ASP QB 1 9 ILE H 3.708 2.966 4.450 3.689 2.872 4.035 0.094 27 0 "[ . 1 . 2 . 3 ]" 1
79 1 8 ASP H 1 9 ILE H 3.776 3.021 4.531 3.769 2.737 4.604 0.284 27 0 "[ . 1 . 2 . 3 ]" 1
80 1 8 ASP HA 1 9 ILE H 2.934 2.347 3.521 2.519 2.162 3.563 0.185 23 0 "[ . 1 . 2 . 3 ]" 1
81 1 9 ILE H 1 9 ILE HB 3.296 2.637 3.955 3.183 2.480 3.884 0.157 1 0 "[ . 1 . 2 . 3 ]" 1
82 1 9 ILE H 1 9 ILE MD 4.492 3.594 5.390 3.775 3.450 4.971 0.144 28 0 "[ . 1 . 2 . 3 ]" 1
83 1 9 ILE H 1 9 ILE MG 3.515 2.812 4.218 3.341 2.643 4.026 0.169 16 0 "[ . 1 . 2 . 3 ]" 1
84 1 9 ILE HA 1 9 ILE MD 5.205 4.164 6.246 3.985 3.789 4.145 0.375 16 0 "[ . 1 . 2 . 3 ]" 1
85 1 9 ILE QG 1 10 GLY H 3.969 3.175 4.763 3.917 2.974 4.408 0.201 10 0 "[ . 1 . 2 . 3 ]" 1
86 1 9 ILE HB 1 10 GLY H 3.310 2.648 3.972 3.271 2.579 4.199 0.227 10 0 "[ . 1 . 2 . 3 ]" 1
87 1 9 ILE HA 1 10 GLY H 2.771 2.217 3.325 2.727 2.143 3.525 0.200 15 0 "[ . 1 . 2 . 3 ]" 1
88 1 8 ASP HA 1 13 VAL HB 4.244 3.458 5.030 4.535 3.432 5.183 0.153 27 0 "[ . 1 . 2 . 3 ]" 1
89 1 8 ASP HA 1 13 VAL QG 4.644 3.758 5.530 3.858 3.599 4.620 0.159 14 0 "[ . 1 . 2 . 3 ]" 1
90 1 13 VAL H 1 13 VAL HB 2.606 2.085 3.127 2.747 2.562 3.347 0.220 33 0 "[ . 1 . 2 . 3 ]" 1
91 1 13 VAL H 1 13 VAL QG 3.941 3.153 4.729 2.955 2.712 3.252 0.441 16 0 "[ . 1 . 2 . 3 ]" 1
92 1 13 VAL QG 1 40 THR HA 4.453 3.567 5.339 3.703 3.343 4.928 0.224 14 0 "[ . 1 . 2 . 3 ]" 1
93 1 13 VAL QG 1 40 THR HB 3.233 2.547 3.919 2.751 2.426 3.826 0.121 33 0 "[ . 1 . 2 . 3 ]" 1
94 1 13 VAL QG 1 40 THR MG 3.000 2.414 3.586 3.107 2.266 3.713 0.148 7 0 "[ . 1 . 2 . 3 ]" 1
95 1 13 VAL QG 1 15 GLU H 3.391 2.713 4.069 2.822 2.468 3.751 0.245 29 0 "[ . 1 . 2 . 3 ]" 1
96 1 14 THR MG 1 15 GLU H 5.143 4.114 6.172 4.105 3.846 4.330 0.268 28 0 "[ . 1 . 2 . 3 ]" 1
97 1 14 THR HB 1 15 GLU H 3.544 2.835 4.253 3.863 2.830 4.388 0.135 21 0 "[ . 1 . 2 . 3 ]" 1
98 1 15 GLU H 1 15 GLU QG 3.739 3.031 4.447 3.595 2.736 4.360 0.295 24 0 "[ . 1 . 2 . 3 ]" 1
99 1 15 GLU H 1 15 GLU QB 3.651 2.921 4.381 2.916 2.646 3.315 0.275 22 0 "[ . 1 . 2 . 3 ]" 1
100 1 15 GLU H 1 15 GLU HA 3.128 2.502 3.754 2.891 2.818 2.954 . 0 0 "[ . 1 . 2 . 3 ]" 1
101 1 15 GLU HA 1 67 PRO HA 3.161 2.529 3.793 2.387 2.308 2.522 0.221 22 0 "[ . 1 . 2 . 3 ]" 1
102 1 15 GLU QB 1 67 PRO HA 3.855 3.084 4.626 3.692 3.070 4.306 0.014 29 0 "[ . 1 . 2 . 3 ]" 1
103 1 15 GLU HA 1 68 VAL QG 4.725 3.780 5.670 3.819 3.446 4.984 0.334 26 0 "[ . 1 . 2 . 3 ]" 1
104 1 15 GLU H 1 68 VAL QG 4.125 3.300 4.950 4.068 3.195 4.901 0.105 1 0 "[ . 1 . 2 . 3 ]" 1
105 1 6 LEU QD 1 16 GLY QA 3.481 2.828 4.134 2.849 2.639 3.520 0.189 2 0 "[ . 1 . 2 . 3 ]" 1
106 1 15 GLU HA 1 16 GLY H 2.649 2.119 3.179 2.284 2.188 2.395 . 0 0 "[ . 1 . 2 . 3 ]" 1
107 1 15 GLU QB 1 16 GLY H 3.381 2.705 4.057 3.073 2.565 3.602 0.140 28 0 "[ . 1 . 2 . 3 ]" 1
108 1 16 GLY QA 1 17 GLU H 2.969 2.375 3.563 2.190 2.149 2.295 0.226 14 0 "[ . 1 . 2 . 3 ]" 1
109 1 16 GLY H 1 17 GLU H 4.230 3.384 5.076 4.349 3.912 4.605 . 0 0 "[ . 1 . 2 . 3 ]" 1
110 1 16 GLY QA 1 40 THR HA 3.881 3.128 4.634 3.558 3.083 4.231 0.045 13 0 "[ . 1 . 2 . 3 ]" 1
111 1 16 GLY QA 1 40 THR HB 4.255 3.402 5.108 4.741 3.555 5.171 0.063 10 0 "[ . 1 . 2 . 3 ]" 1
112 1 16 GLY H 1 65 VAL HA 3.753 3.002 4.504 4.483 3.974 4.703 0.199 19 0 "[ . 1 . 2 . 3 ]" 1
113 1 16 GLY H 1 65 VAL QG 3.566 2.853 4.279 3.430 2.823 3.849 0.030 8 0 "[ . 1 . 2 . 3 ]" 1
114 1 16 GLY H 1 66 VAL HB 3.794 3.035 4.553 4.684 4.495 4.834 0.281 29 0 "[ . 1 . 2 . 3 ]" 1
115 1 16 GLY H 1 66 VAL H 3.178 2.542 3.814 3.031 2.710 3.216 . 0 0 "[ . 1 . 2 . 3 ]" 1
116 1 16 GLY H 1 66 VAL HA 4.553 3.702 5.404 4.794 4.430 5.064 . 0 0 "[ . 1 . 2 . 3 ]" 1
117 1 16 GLY H 1 66 VAL QG 4.605 3.624 5.586 4.528 3.613 4.739 0.011 33 0 "[ . 1 . 2 . 3 ]" 1
118 1 16 GLY H 1 67 PRO HA 3.680 2.944 4.416 3.448 2.862 3.985 0.082 30 0 "[ . 1 . 2 . 3 ]" 1
119 1 6 LEU QD 1 17 GLU H 3.571 2.797 4.345 4.232 3.806 4.431 0.086 16 0 "[ . 1 . 2 . 3 ]" 1
120 1 17 GLU HA 1 65 VAL HA 3.088 2.470 3.706 2.671 2.500 2.834 . 0 0 "[ . 1 . 2 . 3 ]" 1
121 1 17 GLU HA 1 65 VAL HB 4.388 3.570 5.206 4.119 3.501 5.527 0.321 22 0 "[ . 1 . 2 . 3 ]" 1
122 1 17 GLU HA 1 65 VAL QG 4.371 3.497 5.245 3.484 3.102 3.776 0.395 17 0 "[ . 1 . 2 . 3 ]" 1
123 1 17 GLU HA 1 18 ILE H 2.553 2.042 3.064 2.168 2.114 2.245 . 0 0 "[ . 1 . 2 . 3 ]" 1
124 1 17 GLU QB 1 18 ILE H 3.077 2.462 3.692 3.657 3.095 3.862 0.170 18 0 "[ . 1 . 2 . 3 ]" 1
125 1 18 ILE H 1 18 ILE MD 3.852 3.082 4.622 3.913 3.048 4.139 0.034 27 0 "[ . 1 . 2 . 3 ]" 1
126 1 18 ILE H 1 18 ILE MG 4.207 3.366 5.048 3.759 3.672 3.827 . 0 0 "[ . 1 . 2 . 3 ]" 1
127 1 18 ILE H 1 18 ILE HA 3.250 2.600 3.900 2.954 2.946 2.960 . 0 0 "[ . 1 . 2 . 3 ]" 1
128 1 18 ILE H 1 18 ILE HB 2.827 2.262 3.392 2.441 2.286 2.659 . 0 0 "[ . 1 . 2 . 3 ]" 1
129 1 18 ILE HA 1 36 VAL QG 4.902 3.922 5.882 5.525 4.999 5.975 0.093 19 0 "[ . 1 . 2 . 3 ]" 1
130 1 18 ILE MD 1 19 VAL H 4.169 3.335 5.003 3.692 3.324 5.236 0.233 21 0 "[ . 1 . 2 . 3 ]" 1
131 1 18 ILE HA 1 38 VAL HA 3.555 2.844 4.266 3.205 2.789 3.837 0.055 10 0 "[ . 1 . 2 . 3 ]" 1
132 1 18 ILE HA 1 38 VAL HB 4.553 3.662 5.444 4.936 4.084 5.843 0.399 31 0 "[ . 1 . 2 . 3 ]" 1
133 1 18 ILE HA 1 38 VAL QG 4.692 3.754 5.630 3.710 3.410 3.982 0.344 31 0 "[ . 1 . 2 . 3 ]" 1
134 1 18 ILE QG 1 38 VAL HA 4.593 3.674 5.512 4.727 3.964 5.653 0.141 27 0 "[ . 1 . 2 . 3 ]" 1
135 1 18 ILE QG 1 38 VAL QG 4.008 3.206 4.810 3.860 3.195 4.566 0.011 12 0 "[ . 1 . 2 . 3 ]" 1
136 1 18 ILE MD 1 60 TYR QE 4.810 3.848 5.772 5.577 4.773 5.905 0.133 2 0 "[ . 1 . 2 . 3 ]" 1
137 1 18 ILE MD 1 60 TYR QD 4.685 3.748 5.622 4.407 3.720 4.767 0.028 27 0 "[ . 1 . 2 . 3 ]" 1
138 1 18 ILE MD 1 60 TYR QB 4.191 3.353 5.029 3.981 3.046 4.389 0.307 12 0 "[ . 1 . 2 . 3 ]" 1
139 1 18 ILE MG 1 62 GLU QG 4.071 3.257 4.885 3.353 3.145 3.760 0.112 30 0 "[ . 1 . 2 . 3 ]" 1
140 1 18 ILE H 1 63 GLY H 3.936 3.149 4.723 4.185 3.879 4.482 . 0 0 "[ . 1 . 2 . 3 ]" 1
141 1 18 ILE MD 1 64 GLN H 4.947 3.958 5.936 5.868 3.822 6.102 0.166 20 0 "[ . 1 . 2 . 3 ]" 1
142 1 18 ILE H 1 64 GLN H 3.935 3.148 4.722 3.880 3.677 4.190 . 0 0 "[ . 1 . 2 . 3 ]" 1
143 1 18 ILE H 1 65 VAL HA 3.482 2.786 4.178 4.202 3.959 4.353 0.175 10 0 "[ . 1 . 2 . 3 ]" 1
144 1 18 ILE H 1 66 VAL QG 4.820 3.916 5.724 5.670 5.005 5.887 0.163 16 0 "[ . 1 . 2 . 3 ]" 1
145 1 18 ILE MD 1 66 VAL QG 5.584 4.467 6.701 5.970 4.956 6.480 . 0 0 "[ . 1 . 2 . 3 ]" 1
146 1 18 ILE QG 1 66 VAL QG 5.012 4.010 6.014 5.103 4.264 5.428 . 0 0 "[ . 1 . 2 . 3 ]" 1
147 1 18 ILE MD 1 72 LEU QD 4.425 3.540 5.310 3.205 3.012 3.420 0.528 24 1 "[ . 1 . 2 +. 3 ]" 1
148 1 18 ILE HA 1 19 VAL H 2.609 2.087 3.131 2.142 2.116 2.172 . 0 0 "[ . 1 . 2 . 3 ]" 1
149 1 18 ILE QG 1 19 VAL H 3.804 3.043 4.565 2.843 2.778 2.961 0.265 15 0 "[ . 1 . 2 . 3 ]" 1
150 1 19 VAL H 1 19 VAL HA 3.446 2.757 4.135 2.934 2.908 2.971 . 0 0 "[ . 1 . 2 . 3 ]" 1
151 1 19 VAL H 1 20 ARG H 2.671 2.137 3.205 2.365 2.146 2.459 . 0 0 "[ . 1 . 2 . 3 ]" 1
152 1 19 VAL H 1 36 VAL QG 5.007 4.086 5.928 5.671 5.235 6.064 0.136 20 0 "[ . 1 . 2 . 3 ]" 1
153 1 19 VAL H 1 37 GLU H 4.671 3.737 5.605 5.112 4.849 5.352 . 0 0 "[ . 1 . 2 . 3 ]" 1
154 1 19 VAL H 1 37 GLU QB 4.801 3.861 5.741 4.096 3.795 4.471 0.066 13 0 "[ . 1 . 2 . 3 ]" 1
155 1 19 VAL QG 1 39 MET QB 4.201 3.361 5.041 3.381 3.092 4.034 0.269 27 0 "[ . 1 . 2 . 3 ]" 1
156 1 18 ILE HA 1 20 ARG H 3.447 2.758 4.136 3.967 3.715 4.174 0.038 21 0 "[ . 1 . 2 . 3 ]" 1
157 1 18 ILE MG 1 20 ARG H 3.627 2.902 4.352 2.925 2.793 3.380 0.109 24 0 "[ . 1 . 2 . 3 ]" 1
158 1 19 VAL HA 1 20 ARG H 3.625 2.900 4.350 3.592 3.542 3.617 . 0 0 "[ . 1 . 2 . 3 ]" 1
159 1 19 VAL HB 1 20 ARG H 3.998 3.198 4.798 3.775 3.052 3.964 0.146 13 0 "[ . 1 . 2 . 3 ]" 1
160 1 20 ARG H 1 20 ARG QG 3.963 3.170 4.756 3.567 3.091 4.161 0.079 30 0 "[ . 1 . 2 . 3 ]" 1
161 1 20 ARG H 1 20 ARG HA 3.184 2.547 3.821 2.954 2.924 2.974 . 0 0 "[ . 1 . 2 . 3 ]" 1
162 1 20 ARG H 1 37 GLU H 3.238 2.590 3.886 3.776 3.484 3.968 0.082 29 0 "[ . 1 . 2 . 3 ]" 1
163 1 20 ARG QB 1 37 GLU H 3.938 3.090 4.786 3.450 2.966 3.890 0.124 20 0 "[ . 1 . 2 . 3 ]" 1
164 1 20 ARG QD 1 37 GLU H 4.538 3.590 5.486 5.111 4.412 5.713 0.227 9 0 "[ . 1 . 2 . 3 ]" 1
165 1 20 ARG HA 1 62 GLU QB 6.304 5.043 7.565 5.093 4.946 5.531 0.097 9 0 "[ . 1 . 2 . 3 ]" 1
166 1 20 ARG HA 1 62 GLU QG 4.802 3.842 5.762 3.761 3.660 3.989 0.182 5 0 "[ . 1 . 2 . 3 ]" 1
167 1 18 ILE MG 1 21 TRP HD1 4.286 3.429 5.143 3.231 3.122 3.351 0.307 32 0 "[ . 1 . 2 . 3 ]" 1
168 1 18 ILE QG 1 21 TRP HE1 4.486 3.629 5.343 3.674 3.497 4.545 0.132 17 0 "[ . 1 . 2 . 3 ]" 1
169 1 18 ILE MD 1 21 TRP HE1 3.286 2.629 3.943 3.888 2.430 4.168 0.225 27 0 "[ . 1 . 2 . 3 ]" 1
170 1 18 ILE MG 1 21 TRP H 4.492 3.594 5.390 4.253 3.916 5.076 . 0 0 "[ . 1 . 2 . 3 ]" 1
171 1 20 ARG QB 1 21 TRP H 3.393 2.714 4.072 3.138 2.690 3.729 0.024 9 0 "[ . 1 . 2 . 3 ]" 1
172 1 20 ARG HA 1 21 TRP H 2.424 . 2.909 2.191 2.127 2.244 . 0 0 "[ . 1 . 2 . 3 ]" 1
173 1 20 ARG QG 1 21 TRP H 3.336 2.669 4.003 3.265 2.457 3.844 0.212 4 0 "[ . 1 . 2 . 3 ]" 1
174 1 21 TRP HA 1 21 TRP HE3 3.350 2.680 4.020 2.519 2.333 2.666 0.347 3 0 "[ . 1 . 2 . 3 ]" 1
175 1 21 TRP QB 1 21 TRP HE3 3.513 2.810 4.216 2.979 2.849 3.115 . 0 0 "[ . 1 . 2 . 3 ]" 1
176 1 21 TRP H 1 21 TRP HA 3.447 2.758 4.136 2.972 2.955 2.982 . 0 0 "[ . 1 . 2 . 3 ]" 1
177 1 21 TRP H 1 21 TRP QB 3.139 2.511 3.767 2.415 2.301 2.594 0.210 12 0 "[ . 1 . 2 . 3 ]" 1
178 1 21 TRP HA 1 22 ASP H 2.555 2.044 3.066 2.300 2.193 3.337 0.271 20 0 "[ . 1 . 2 . 3 ]" 1
179 1 21 TRP HA 1 36 VAL HA 3.239 2.591 3.887 3.945 3.719 4.152 0.265 12 0 "[ . 1 . 2 . 3 ]" 1
180 1 21 TRP HA 1 36 VAL HB 3.989 3.191 4.787 4.224 3.385 4.742 . 0 0 "[ . 1 . 2 . 3 ]" 1
181 1 21 TRP HA 1 36 VAL QG 4.386 3.509 5.263 4.337 4.005 4.572 . 0 0 "[ . 1 . 2 . 3 ]" 1
182 1 21 TRP HA 1 37 GLU H 3.691 2.953 4.429 4.509 4.293 4.617 0.188 9 0 "[ . 1 . 2 . 3 ]" 1
183 1 21 TRP HE1 1 58 ILE MD 3.874 3.099 4.649 3.537 3.060 4.481 0.039 25 0 "[ . 1 . 2 . 3 ]" 1
184 1 21 TRP HD1 1 61 ARG HA 3.384 2.707 4.061 4.013 3.694 4.147 0.086 29 0 "[ . 1 . 2 . 3 ]" 1
185 1 21 TRP HD1 1 61 ARG QB 4.749 3.892 5.606 5.402 4.350 5.769 0.163 28 0 "[ . 1 . 2 . 3 ]" 1
186 1 21 TRP HE1 1 61 ARG HA 2.843 2.274 3.412 3.304 2.925 3.492 0.080 1 0 "[ . 1 . 2 . 3 ]" 1
187 1 21 TRP HE1 1 62 GLU HA 4.023 3.254 4.792 3.866 3.592 4.293 . 0 0 "[ . 1 . 2 . 3 ]" 1
188 1 21 TRP HD1 1 62 GLU QB 3.874 3.099 4.649 4.346 4.165 4.701 0.052 21 0 "[ . 1 . 2 . 3 ]" 1
189 1 21 TRP HD1 1 62 GLU QG 2.874 2.299 3.449 2.296 2.160 2.590 0.139 18 0 "[ . 1 . 2 . 3 ]" 1
190 1 21 TRP H 1 62 GLU QG 4.589 3.771 5.407 3.868 3.626 4.359 0.145 4 0 "[ . 1 . 2 . 3 ]" 1
191 1 21 TRP HD1 1 62 GLU H 3.055 2.926 3.666 3.681 3.450 3.797 0.131 15 0 "[ . 1 . 2 . 3 ]" 1
192 1 21 TRP HZ3 1 73 LEU QD 4.748 3.838 5.658 3.887 3.707 4.691 0.131 20 0 "[ . 1 . 2 . 3 ]" 1
193 1 21 TRP HH2 1 73 LEU QB 4.419 3.535 5.303 3.917 3.401 4.936 0.134 25 0 "[ . 1 . 2 . 3 ]" 1
194 1 21 TRP HH2 1 73 LEU QD 4.419 3.535 5.303 3.967 3.463 4.574 0.072 33 0 "[ . 1 . 2 . 3 ]" 1
195 1 21 TRP QB 1 22 ASP H 3.875 3.100 4.650 3.032 2.925 3.201 0.175 18 0 "[ . 1 . 2 . 3 ]" 1
196 1 22 ASP H 1 22 ASP HA 3.057 2.446 3.668 2.948 2.311 2.982 0.135 20 0 "[ . 1 . 2 . 3 ]" 1
197 1 22 ASP H 1 22 ASP QB 3.313 2.650 3.976 2.733 2.437 3.187 0.213 29 0 "[ . 1 . 2 . 3 ]" 1
198 1 22 ASP H 1 23 VAL H 2.767 2.214 3.320 2.262 2.134 3.062 0.080 22 0 "[ . 1 . 2 . 3 ]" 1
199 1 22 ASP QB 1 35 LEU QD 4.555 3.722 5.388 3.846 3.574 4.938 0.148 21 0 "[ . 1 . 2 . 3 ]" 1
200 1 22 ASP H 1 36 VAL QG 4.665 3.732 5.598 4.335 3.654 5.146 0.078 17 0 "[ . 1 . 2 . 3 ]" 1
201 1 22 ASP QB 1 36 VAL HA 3.855 3.122 4.588 3.701 3.007 4.257 0.115 20 0 "[ . 1 . 2 . 3 ]" 1
202 1 22 ASP H 1 36 VAL HA 3.488 2.790 4.186 3.955 3.447 4.667 0.481 20 0 "[ . 1 . 2 . 3 ]" 1
203 1 21 TRP HE3 1 23 VAL QG 3.803 3.042 4.564 2.825 2.693 3.668 0.349 10 0 "[ . 1 . 2 . 3 ]" 1
204 1 21 TRP HZ3 1 23 VAL QG 3.682 2.946 4.418 3.556 3.198 4.414 . 0 0 "[ . 1 . 2 . 3 ]" 1
205 1 21 TRP QB 1 23 VAL H 3.375 2.700 4.050 2.677 2.475 3.012 0.225 20 0 "[ . 1 . 2 . 3 ]" 1
206 1 22 ASP QB 1 23 VAL H 4.089 3.271 4.907 3.707 3.325 4.000 . 0 0 "[ . 1 . 2 . 3 ]" 1
207 1 22 ASP HA 1 23 VAL H 3.255 2.604 3.906 3.228 2.997 3.544 . 0 0 "[ . 1 . 2 . 3 ]" 1
208 1 23 VAL H 1 23 VAL HA 3.078 2.462 3.694 2.957 2.933 2.970 . 0 0 "[ . 1 . 2 . 3 ]" 1
209 1 23 VAL QG 1 27 ASP QB 5.830 4.664 6.996 4.571 4.334 4.886 0.330 32 0 "[ . 1 . 2 . 3 ]" 1
210 1 23 VAL QG 1 29 VAL QG 3.523 2.771 4.275 2.667 2.427 2.960 0.344 32 0 "[ . 1 . 2 . 3 ]" 1
211 1 23 VAL QG 1 35 LEU QD 6.854 5.483 8.000 5.579 5.271 6.301 0.212 17 0 "[ . 1 . 2 . 3 ]" 1
212 1 23 VAL HB 1 55 ILE QG 4.002 3.242 4.762 3.722 3.328 4.218 . 0 0 "[ . 1 . 2 . 3 ]" 1
213 1 23 VAL QG 1 55 ILE MD 4.798 3.838 5.758 3.706 3.523 3.939 0.315 1 0 "[ . 1 . 2 . 3 ]" 1
214 1 23 VAL QG 1 55 ILE MG 3.802 3.042 4.562 3.314 2.920 3.866 0.122 10 0 "[ . 1 . 2 . 3 ]" 1
215 1 23 VAL QG 1 58 ILE MD 5.277 4.222 6.332 4.295 4.107 5.057 0.115 17 0 "[ . 1 . 2 . 3 ]" 1
216 1 23 VAL QG 1 24 LYS H 4.133 3.306 4.960 3.205 3.115 3.497 0.191 3 0 "[ . 1 . 2 . 3 ]" 1
217 1 23 VAL HA 1 24 LYS H 2.571 2.057 3.085 2.342 2.138 2.404 . 0 0 "[ . 1 . 2 . 3 ]" 1
218 1 23 VAL HB 1 24 LYS H 2.670 2.136 3.204 2.678 2.437 3.240 0.036 7 0 "[ . 1 . 2 . 3 ]" 1
219 1 23 VAL H 1 24 LYS H 3.912 3.130 4.694 4.444 4.329 4.471 . 0 0 "[ . 1 . 2 . 3 ]" 1
220 1 24 LYS H 1 24 LYS HA 3.232 2.586 3.878 2.963 2.941 2.975 . 0 0 "[ . 1 . 2 . 3 ]" 1
221 1 24 LYS H 1 27 ASP QB 3.798 3.038 4.558 3.174 2.884 4.037 0.154 18 0 "[ . 1 . 2 . 3 ]" 1
222 1 24 LYS QG 1 25 GLU H 3.930 3.144 4.716 3.910 3.547 4.675 . 0 0 "[ . 1 . 2 . 3 ]" 1
223 1 24 LYS QB 1 25 GLU H 2.605 2.084 3.126 2.793 2.480 3.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
224 1 24 LYS HA 1 25 GLU H 2.504 2.003 3.005 2.235 2.170 2.338 . 0 0 "[ . 1 . 2 . 3 ]" 1
225 1 25 GLU H 1 25 GLU QB 2.662 2.130 3.194 2.428 2.206 2.740 . 0 0 "[ . 1 . 2 . 3 ]" 1
226 1 25 GLU H 1 25 GLU HA 3.087 2.470 3.704 2.789 2.728 2.837 . 0 0 "[ . 1 . 2 . 3 ]" 1
227 1 25 GLU QB 1 26 GLY H 3.360 2.688 4.032 3.239 2.885 3.710 . 0 0 "[ . 1 . 2 . 3 ]" 1
228 1 25 GLU HA 1 55 ILE HB 3.805 3.044 4.566 3.012 2.895 3.207 0.149 23 0 "[ . 1 . 2 . 3 ]" 1
229 1 25 GLU H 1 55 ILE MG 4.611 3.689 5.533 4.490 4.181 4.866 . 0 0 "[ . 1 . 2 . 3 ]" 1
230 1 25 GLU H 1 58 ILE HB 4.886 4.063 5.709 3.901 3.790 4.065 0.273 21 0 "[ . 1 . 2 . 3 ]" 1
231 1 25 GLU H 1 58 ILE MD 3.686 2.949 4.423 3.902 3.170 4.424 0.001 26 0 "[ . 1 . 2 . 3 ]" 1
232 1 25 GLU H 1 58 ILE QG 4.048 3.238 4.858 5.100 5.002 5.228 0.370 31 0 "[ . 1 . 2 . 3 ]" 1
233 1 25 GLU QB 1 58 ILE MD 4.197 3.358 5.036 4.088 3.427 5.107 0.071 23 0 "[ . 1 . 2 . 3 ]" 1
234 1 25 GLU QG 1 58 ILE MD 4.597 3.658 5.536 4.650 3.453 5.580 0.205 23 0 "[ . 1 . 2 . 3 ]" 1
235 1 25 GLU HA 1 26 GLY H 2.381 . 2.857 2.195 2.154 2.232 . 0 0 "[ . 1 . 2 . 3 ]" 1
236 1 26 GLY H 1 55 ILE HB 2.984 2.387 3.581 2.765 2.369 3.176 0.018 9 0 "[ . 1 . 2 . 3 ]" 1
237 1 26 GLY H 1 56 VAL HA 4.411 3.529 5.293 4.776 4.038 5.261 . 0 0 "[ . 1 . 2 . 3 ]" 1
238 1 24 LYS H 1 27 ASP H 3.912 3.130 4.694 4.657 4.268 4.833 0.139 32 0 "[ . 1 . 2 . 3 ]" 1
239 1 26 GLY QA 1 27 ASP H 3.217 2.574 3.860 2.944 2.928 2.972 . 0 0 "[ . 1 . 2 . 3 ]" 1
240 1 26 GLY H 1 27 ASP H 2.983 2.386 3.580 2.446 2.365 2.545 0.021 17 0 "[ . 1 . 2 . 3 ]" 1
241 1 27 ASP H 1 27 ASP HA 3.070 2.456 3.684 2.975 2.961 2.981 . 0 0 "[ . 1 . 2 . 3 ]" 1
242 1 27 ASP H 1 27 ASP QB 3.127 2.502 3.752 2.624 2.433 3.017 0.069 7 0 "[ . 1 . 2 . 3 ]" 1
243 1 27 ASP QB 1 28 MET H 3.468 2.774 4.162 3.112 2.681 3.777 0.093 32 0 "[ . 1 . 2 . 3 ]" 1
244 1 27 ASP H 1 28 MET H 4.031 3.225 4.837 4.486 4.358 4.565 . 0 0 "[ . 1 . 2 . 3 ]" 1
245 1 27 ASP HA 1 28 MET H 2.482 . 2.978 2.247 2.123 2.645 . 0 0 "[ . 1 . 2 . 3 ]" 1
246 1 27 ASP H 1 55 ILE H 3.758 3.006 4.510 4.588 4.493 4.697 0.187 1 0 "[ . 1 . 2 . 3 ]" 1
247 1 27 ASP H 1 55 ILE QG 3.849 3.079 4.619 3.749 3.544 4.063 . 0 0 "[ . 1 . 2 . 3 ]" 1
248 1 27 ASP H 1 55 ILE MD 4.650 3.720 5.580 5.351 5.188 5.594 0.014 32 0 "[ . 1 . 2 . 3 ]" 1
249 1 27 ASP H 1 55 ILE MG 4.461 3.569 5.353 4.361 4.175 4.510 . 0 0 "[ . 1 . 2 . 3 ]" 1
250 1 27 ASP H 1 55 ILE HB 3.021 2.417 3.625 3.243 3.020 3.349 . 0 0 "[ . 1 . 2 . 3 ]" 1
251 1 28 MET H 1 28 MET QB 3.119 2.495 3.743 2.430 2.338 2.802 0.157 23 0 "[ . 1 . 2 . 3 ]" 1
252 1 28 MET H 1 28 MET HA 3.167 2.534 3.800 2.913 2.811 2.973 . 0 0 "[ . 1 . 2 . 3 ]" 1
253 1 28 MET QB 1 54 LYS HA 4.119 3.295 4.943 4.752 3.788 5.061 0.118 8 0 "[ . 1 . 2 . 3 ]" 1
254 1 28 MET HA 1 54 LYS QG 4.870 3.936 5.804 4.253 3.895 4.958 0.041 29 0 "[ . 1 . 2 . 3 ]" 1
255 1 28 MET HA 1 55 ILE H 3.670 3.036 4.304 3.887 3.339 4.178 . 0 0 "[ . 1 . 2 . 3 ]" 1
256 1 28 MET HA 1 55 ILE HB 5.070 4.236 5.904 5.376 5.001 5.638 . 0 0 "[ . 1 . 2 . 3 ]" 1
257 1 28 MET HA 1 55 ILE MD 5.670 4.536 6.804 4.501 4.416 4.644 0.120 6 0 "[ . 1 . 2 . 3 ]" 1
258 1 28 MET HA 1 55 ILE QG 4.270 3.436 5.104 3.477 3.291 3.663 0.145 31 0 "[ . 1 . 2 . 3 ]" 1
259 1 28 MET QB 1 29 VAL H 3.501 2.801 4.201 2.812 2.616 3.802 0.185 32 0 "[ . 1 . 2 . 3 ]" 1
260 1 28 MET QG 1 29 VAL H 3.697 2.958 4.436 3.977 2.767 4.509 0.191 23 0 "[ . 1 . 2 . 3 ]" 1
261 1 28 MET H 1 29 VAL H 4.468 3.574 5.362 4.597 4.494 4.650 . 0 0 "[ . 1 . 2 . 3 ]" 1
262 1 28 MET HA 1 29 VAL H 2.423 . 2.908 2.271 2.151 2.345 . 0 0 "[ . 1 . 2 . 3 ]" 1
263 1 29 VAL H 1 29 VAL QG 3.186 2.549 3.823 2.519 2.245 2.879 0.304 32 0 "[ . 1 . 2 . 3 ]" 1
264 1 29 VAL H 1 29 VAL HA 3.098 2.478 3.718 2.960 2.929 2.976 . 0 0 "[ . 1 . 2 . 3 ]" 1
265 1 29 VAL H 1 30 GLU H 3.689 2.951 4.427 4.397 4.315 4.477 0.050 3 0 "[ . 1 . 2 . 3 ]" 1
266 1 29 VAL HA 1 30 GLU H 2.491 . 2.989 2.229 2.135 2.364 . 0 0 "[ . 1 . 2 . 3 ]" 1
267 1 29 VAL H 1 54 LYS HA 4.091 3.311 4.871 4.185 3.498 4.917 0.046 23 0 "[ . 1 . 2 . 3 ]" 1
268 1 29 VAL H 1 55 ILE QG 3.891 3.113 4.669 3.981 3.536 4.373 . 0 0 "[ . 1 . 2 . 3 ]" 1
269 1 29 VAL H 1 55 ILE MD 4.891 3.913 5.869 4.159 3.869 4.578 0.044 4 0 "[ . 1 . 2 . 3 ]" 1
270 1 29 VAL HB 1 30 GLU H 3.732 3.186 4.278 3.974 3.019 4.266 0.167 6 0 "[ . 1 . 2 . 3 ]" 1
271 1 30 GLU H 1 30 GLU HA 2.808 2.246 3.370 2.954 2.909 2.972 . 0 0 "[ . 1 . 2 . 3 ]" 1
272 1 30 GLU HA 1 31 LYS H 2.644 2.115 3.173 2.311 2.164 2.436 . 0 0 "[ . 1 . 2 . 3 ]" 1
273 1 30 GLU QB 1 31 LYS H 3.292 2.634 3.950 2.650 2.465 3.740 0.169 31 0 "[ . 1 . 2 . 3 ]" 1
274 1 30 GLU QG 1 31 LYS H 3.608 2.886 4.330 3.912 2.784 4.398 0.102 27 0 "[ . 1 . 2 . 3 ]" 1
275 1 31 LYS H 1 31 LYS HA 3.240 2.592 3.888 2.818 2.360 2.945 0.232 11 0 "[ . 1 . 2 . 3 ]" 1
276 1 31 LYS H 1 31 LYS QG 3.861 3.089 4.633 3.941 2.919 4.418 0.170 13 0 "[ . 1 . 2 . 3 ]" 1
277 1 31 LYS H 1 31 LYS QB 2.803 2.242 3.364 2.282 2.210 3.205 0.032 31 0 "[ . 1 . 2 . 3 ]" 1
278 1 31 LYS H 1 32 ASP H 4.621 3.757 5.485 4.402 3.776 4.626 . 0 0 "[ . 1 . 2 . 3 ]" 1
279 1 31 LYS QB 1 32 ASP H 3.948 3.118 4.778 3.758 2.928 4.046 0.190 13 0 "[ . 1 . 2 . 3 ]" 1
280 1 31 LYS QG 1 32 ASP H 3.393 2.714 4.072 2.907 2.453 4.009 0.261 28 0 "[ . 1 . 2 . 3 ]" 1
281 1 31 LYS HA 1 32 ASP H 2.866 2.273 3.459 2.229 2.128 2.552 0.145 11 0 "[ . 1 . 2 . 3 ]" 1
282 1 32 ASP H 1 32 ASP QB 4.187 3.310 5.064 3.252 2.808 3.541 0.502 11 1 "[ . 1+ . 2 . 3 ]" 1
283 1 32 ASP H 1 32 ASP HA 2.634 2.107 3.161 2.489 2.268 2.880 . 0 0 "[ . 1 . 2 . 3 ]" 1
284 1 32 ASP H 1 33 GLN H 3.621 2.917 4.325 3.057 2.588 4.298 0.329 20 0 "[ . 1 . 2 . 3 ]" 1
285 1 32 ASP HA 1 48 PRO QB 3.780 3.024 4.536 3.683 2.853 4.696 0.171 33 0 "[ . 1 . 2 . 3 ]" 1
286 1 32 ASP HA 1 49 SER H 4.238 3.490 4.986 4.608 3.854 5.223 0.237 32 0 "[ . 1 . 2 . 3 ]" 1
287 1 32 ASP H 1 49 SER QB 4.340 3.472 5.208 3.705 3.169 4.658 0.303 20 0 "[ . 1 . 2 . 3 ]" 1
288 1 32 ASP H 1 51 VAL H 5.035 4.108 5.962 5.290 4.018 6.092 0.130 24 0 "[ . 1 . 2 . 3 ]" 1
289 1 32 ASP QB 1 33 GLN H 3.931 3.145 4.717 3.731 2.922 4.063 0.223 8 0 "[ . 1 . 2 . 3 ]" 1
290 1 33 GLN H 1 33 GLN QG 3.419 2.735 4.103 3.700 2.633 4.365 0.262 23 0 "[ . 1 . 2 . 3 ]" 1
291 1 33 GLN H 1 33 GLN HA 2.844 2.275 3.413 2.775 2.256 2.977 0.019 8 0 "[ . 1 . 2 . 3 ]" 1
292 1 33 GLN H 1 33 GLN QB 2.513 2.010 3.016 2.696 2.111 3.350 0.334 8 0 "[ . 1 . 2 . 3 ]" 1
293 1 33 GLN H 1 34 ASP H 4.654 3.783 5.525 3.788 3.484 4.632 0.299 33 0 "[ . 1 . 2 . 3 ]" 1
294 1 33 GLN H 1 49 SER QB 3.773 3.018 4.528 3.949 2.952 4.675 0.147 29 0 "[ . 1 . 2 . 3 ]" 1
295 1 33 GLN HA 1 34 ASP H 3.023 2.438 3.608 2.492 2.157 3.573 0.281 8 0 "[ . 1 . 2 . 3 ]" 1
296 1 34 ASP H 1 34 ASP QB 2.472 . 2.966 2.788 2.289 3.240 0.274 4 0 "[ . 1 . 2 . 3 ]" 1
297 1 34 ASP H 1 34 ASP HA 3.071 2.457 3.685 2.805 2.303 2.966 0.154 4 0 "[ . 1 . 2 . 3 ]" 1
298 1 34 ASP HA 1 35 LEU H 2.591 2.073 3.109 2.622 2.167 3.504 0.395 6 0 "[ . 1 . 2 . 3 ]" 1
299 1 34 ASP QB 1 35 LEU H 3.384 2.707 4.061 3.375 2.278 4.050 0.429 11 0 "[ . 1 . 2 . 3 ]" 1
300 1 35 LEU H 1 35 LEU QB 3.391 2.713 4.069 2.732 2.369 3.411 0.344 21 0 "[ . 1 . 2 . 3 ]" 1
301 1 35 LEU H 1 35 LEU HA 3.219 2.575 3.863 2.820 2.284 2.976 0.291 29 0 "[ . 1 . 2 . 3 ]" 1
302 1 35 LEU H 1 35 LEU HG 3.592 2.774 4.410 3.435 2.686 4.760 0.350 19 0 "[ . 1 . 2 . 3 ]" 1
303 1 35 LEU H 1 35 LEU QD 4.361 3.489 5.233 3.649 3.354 4.152 0.135 25 0 "[ . 1 . 2 . 3 ]" 1
304 1 20 ARG H 1 36 VAL QG 4.290 3.432 5.148 5.159 4.754 5.461 0.313 20 0 "[ . 1 . 2 . 3 ]" 1
305 1 21 TRP HZ3 1 36 VAL HB 3.157 2.526 3.788 4.035 3.912 4.156 0.368 20 0 "[ . 1 . 2 . 3 ]" 1
306 1 21 TRP HZ3 1 36 VAL QG 4.900 4.020 5.780 3.624 3.512 3.764 0.508 28 1 "[ . 1 . 2 . + 3 ]" 1
307 1 21 TRP HE3 1 36 VAL QG 4.875 3.980 5.770 4.092 3.692 4.263 0.288 20 0 "[ . 1 . 2 . 3 ]" 1
308 1 21 TRP HE3 1 36 VAL HB 3.306 2.645 3.967 3.836 3.465 4.066 0.099 15 0 "[ . 1 . 2 . 3 ]" 1
309 1 35 LEU QB 1 36 VAL H 3.229 2.583 3.875 3.817 3.274 4.039 0.164 23 0 "[ . 1 . 2 . 3 ]" 1
310 1 35 LEU HG 1 36 VAL H 4.061 3.329 4.793 4.626 3.728 4.953 0.160 2 0 "[ . 1 . 2 . 3 ]" 1
311 1 36 VAL H 1 36 VAL HA 3.125 2.500 3.750 2.976 2.966 2.991 . 0 0 "[ . 1 . 2 . 3 ]" 1
312 1 36 VAL H 1 37 GLU H 4.099 3.279 4.919 4.366 4.299 4.428 . 0 0 "[ . 1 . 2 . 3 ]" 1
313 1 36 VAL QG 1 47 ILE HB 4.000 3.190 4.810 3.263 3.036 4.277 0.154 11 0 "[ . 1 . 2 . 3 ]" 1
314 1 36 VAL QG 1 47 ILE MD 4.521 3.667 5.375 3.830 3.564 4.540 0.103 30 0 "[ . 1 . 2 . 3 ]" 1
315 1 36 VAL HA 1 37 GLU H 2.548 2.038 3.058 2.159 2.117 2.237 . 0 0 "[ . 1 . 2 . 3 ]" 1
316 1 37 GLU H 1 37 GLU QG 3.600 2.880 4.320 3.312 2.816 4.246 0.064 11 0 "[ . 1 . 2 . 3 ]" 1
317 1 37 GLU H 1 37 GLU QB 2.660 2.128 3.192 2.481 2.336 2.606 . 0 0 "[ . 1 . 2 . 3 ]" 1
318 1 37 GLU H 1 37 GLU HA 3.387 2.710 4.064 2.975 2.938 2.983 . 0 0 "[ . 1 . 2 . 3 ]" 1
319 1 37 GLU HA 1 38 VAL H 2.464 . 2.957 2.135 2.096 2.165 . 0 0 "[ . 1 . 2 . 3 ]" 1
320 1 37 GLU HA 1 46 LYS HA 3.452 2.762 4.142 3.141 2.870 3.342 . 0 0 "[ . 1 . 2 . 3 ]" 1
321 1 19 VAL H 1 38 VAL HA 3.069 2.455 3.683 3.551 3.029 3.811 0.128 24 0 "[ . 1 . 2 . 3 ]" 1
322 1 19 VAL QG 1 38 VAL HA 4.259 3.407 5.111 3.655 3.364 4.707 0.043 30 0 "[ . 1 . 2 . 3 ]" 1
323 1 20 ARG H 1 38 VAL HA 4.112 3.290 4.934 4.919 4.552 5.060 0.126 23 0 "[ . 1 . 2 . 3 ]" 1
324 1 37 GLU QG 1 38 VAL H 3.397 2.718 4.076 3.749 2.729 4.352 0.276 19 0 "[ . 1 . 2 . 3 ]" 1
325 1 38 VAL H 1 38 VAL HA 3.248 2.598 3.898 2.966 2.958 2.982 . 0 0 "[ . 1 . 2 . 3 ]" 1
326 1 38 VAL H 1 38 VAL HB 2.955 2.364 3.546 3.562 2.508 3.819 0.273 10 0 "[ . 1 . 2 . 3 ]" 1
327 1 38 VAL H 1 45 VAL QG 4.066 3.253 4.879 3.495 3.140 4.294 0.113 31 0 "[ . 1 . 2 . 3 ]" 1
328 1 38 VAL H 1 45 VAL HA 5.024 4.019 6.029 5.426 5.196 5.582 . 0 0 "[ . 1 . 2 . 3 ]" 1
329 1 38 VAL QG 1 45 VAL H 4.773 3.818 5.728 3.730 3.564 4.511 0.254 7 0 "[ . 1 . 2 . 3 ]" 1
330 1 38 VAL QG 1 46 LYS H 5.392 4.314 6.470 5.124 4.570 6.338 . 0 0 "[ . 1 . 2 . 3 ]" 1
331 1 38 VAL H 1 46 LYS HA 3.441 2.753 4.129 3.979 3.411 4.197 0.068 10 0 "[ . 1 . 2 . 3 ]" 1
332 1 38 VAL HB 1 47 ILE MD 3.762 3.050 4.474 4.374 3.009 4.599 0.125 18 0 "[ . 1 . 2 . 3 ]" 1
333 1 38 VAL QG 1 47 ILE QG 4.062 3.150 4.974 3.175 2.926 3.931 0.224 30 0 "[ . 1 . 2 . 3 ]" 1
334 1 16 GLY QA 1 39 MET H 5.195 4.256 6.134 4.966 4.233 5.433 0.023 10 0 "[ . 1 . 2 . 3 ]" 1
335 1 17 GLU H 1 39 MET H 3.195 2.556 3.834 3.554 2.741 3.877 0.043 18 0 "[ . 1 . 2 . 3 ]" 1
336 1 18 ILE HA 1 39 MET H 3.797 3.038 4.556 3.690 3.020 4.347 0.018 11 0 "[ . 1 . 2 . 3 ]" 1
337 1 19 VAL H 1 39 MET H 3.696 2.957 4.435 4.044 3.454 4.611 0.176 30 0 "[ . 1 . 2 . 3 ]" 1
338 1 19 VAL QG 1 39 MET H 3.626 2.901 4.351 4.037 3.595 4.358 0.007 13 0 "[ . 1 . 2 . 3 ]" 1
339 1 19 VAL QG 1 39 MET HG3 4.733 3.786 5.680 5.206 4.589 5.719 0.039 9 0 "[ . 1 . 2 . 3 ]" 1
340 1 19 VAL QG 1 39 MET HG2 4.795 3.836 5.754 5.323 3.784 5.854 0.100 16 0 "[ . 1 . 2 . 3 ]" 1
341 1 38 VAL HA 1 39 MET H 2.497 . 2.996 2.164 2.102 2.301 . 0 0 "[ . 1 . 2 . 3 ]" 1
342 1 38 VAL QG 1 39 MET H 3.572 2.858 4.286 3.270 2.616 3.539 0.242 24 0 "[ . 1 . 2 . 3 ]" 1
343 1 38 VAL HB 1 39 MET H 3.310 2.648 3.972 3.376 2.700 4.225 0.253 31 0 "[ . 1 . 2 . 3 ]" 1
344 1 39 MET H 1 39 MET HA 3.354 2.683 4.025 2.964 2.930 2.976 . 0 0 "[ . 1 . 2 . 3 ]" 1
345 1 39 MET H 1 40 THR H 4.014 3.211 4.817 4.407 4.216 4.592 . 0 0 "[ . 1 . 2 . 3 ]" 1
346 1 39 MET HA 1 43 VAL H 3.819 3.055 4.583 3.735 3.373 4.205 . 0 0 "[ . 1 . 2 . 3 ]" 1
347 1 39 MET QG 1 44 THR HA 4.795 3.836 5.754 4.208 3.794 5.658 0.042 13 0 "[ . 1 . 2 . 3 ]" 1
348 1 39 MET HA 1 40 THR H 2.379 . 2.855 2.197 2.123 2.317 . 0 0 "[ . 1 . 2 . 3 ]" 1
349 1 40 THR H 1 40 THR HA 3.336 2.669 4.003 2.920 2.813 2.974 . 0 0 "[ . 1 . 2 . 3 ]" 1
350 1 40 THR H 1 40 THR HB 3.968 3.174 4.762 3.398 3.067 3.720 0.107 6 0 "[ . 1 . 2 . 3 ]" 1
351 1 40 THR HB 1 41 ASP H 4.015 3.212 4.818 3.610 3.217 4.099 . 0 0 "[ . 1 . 2 . 3 ]" 1
352 1 40 THR H 1 43 VAL QG 4.072 3.258 4.886 3.770 3.090 4.228 0.168 19 0 "[ . 1 . 2 . 3 ]" 1
353 1 40 THR HA 1 41 ASP H 4.006 3.205 4.807 3.502 3.192 3.571 0.013 9 0 "[ . 1 . 2 . 3 ]" 1
354 1 41 ASP HA 1 42 LYS H 3.697 2.958 4.436 3.214 2.570 3.591 0.388 25 0 "[ . 1 . 2 . 3 ]" 1
355 1 42 LYS H 1 42 LYS HB2 4.176 3.341 5.011 3.446 2.953 3.915 0.388 3 0 "[ . 1 . 2 . 3 ]" 1
356 1 42 LYS H 1 42 LYS HB3 4.266 3.413 5.119 3.667 3.197 4.094 0.216 32 0 "[ . 1 . 2 . 3 ]" 1
357 1 40 THR MG 1 43 VAL HA 4.512 3.610 5.414 5.116 4.054 5.554 0.140 30 0 "[ . 1 . 2 . 3 ]" 1
358 1 40 THR H 1 43 VAL H 3.302 2.642 3.962 3.136 2.593 3.967 0.049 27 0 "[ . 1 . 2 . 3 ]" 1
359 1 40 THR HA 1 43 VAL QG 4.826 3.861 5.791 5.567 4.941 5.963 0.172 10 0 "[ . 1 . 2 . 3 ]" 1
360 1 42 LYS H 1 43 VAL H 3.263 2.610 3.916 2.535 2.416 2.708 0.194 28 0 "[ . 1 . 2 . 3 ]" 1
361 1 42 LYS QB 1 43 VAL H 3.565 2.852 4.278 3.939 3.726 4.066 . 0 0 "[ . 1 . 2 . 3 ]" 1
362 1 42 LYS HA 1 43 VAL H 3.400 2.720 4.080 2.772 2.600 3.036 0.120 5 0 "[ . 1 . 2 . 3 ]" 1
363 1 43 VAL H 1 43 VAL HA 2.600 2.080 3.120 2.939 2.867 2.972 . 0 0 "[ . 1 . 2 . 3 ]" 1
364 1 43 VAL H 1 43 VAL HB 3.393 2.714 4.072 3.001 2.608 3.935 0.106 25 0 "[ . 1 . 2 . 3 ]" 1
365 1 43 VAL H 1 43 VAL QG 3.421 2.737 4.105 2.670 2.405 2.933 0.332 4 0 "[ . 1 . 2 . 3 ]" 1
366 1 38 VAL H 1 44 THR MG 4.653 3.722 5.584 4.274 3.704 4.984 0.018 11 0 "[ . 1 . 2 . 3 ]" 1
367 1 43 VAL HB 1 44 THR H 3.221 2.577 3.865 3.900 2.537 4.133 0.268 30 0 "[ . 1 . 2 . 3 ]" 1
368 1 43 VAL HA 1 44 THR H 2.376 . 2.851 2.234 2.147 2.365 . 0 0 "[ . 1 . 2 . 3 ]" 1
369 1 44 THR H 1 44 THR MG 4.795 3.836 5.754 3.844 3.810 3.892 0.026 8 0 "[ . 1 . 2 . 3 ]" 1
370 1 44 THR H 1 44 THR HB 3.520 2.816 4.224 2.709 2.649 2.752 0.167 6 0 "[ . 1 . 2 . 3 ]" 1
371 1 44 THR H 1 44 THR HA 3.489 2.791 4.187 2.961 2.943 2.979 . 0 0 "[ . 1 . 2 . 3 ]" 1
372 1 44 THR MG 1 45 VAL H 3.898 3.118 4.678 2.971 2.885 3.035 0.233 11 0 "[ . 1 . 2 . 3 ]" 1
373 1 38 VAL H 1 45 VAL H 4.037 3.230 4.844 3.466 3.210 3.816 0.020 10 0 "[ . 1 . 2 . 3 ]" 1
374 1 44 THR HA 1 45 VAL H 2.428 . 2.914 2.138 2.112 2.170 . 0 0 "[ . 1 . 2 . 3 ]" 1
375 1 44 THR HB 1 45 VAL H 3.317 2.654 3.980 4.179 4.148 4.264 0.284 21 0 "[ . 1 . 2 . 3 ]" 1
376 1 45 VAL H 1 45 VAL HA 3.276 2.621 3.931 2.969 2.959 2.979 . 0 0 "[ . 1 . 2 . 3 ]" 1
377 1 45 VAL H 1 45 VAL HB 3.282 2.626 3.938 3.541 2.771 3.888 . 0 0 "[ . 1 . 2 . 3 ]" 1
378 1 37 GLU HA 1 46 LYS H 4.548 3.638 5.458 5.364 5.039 5.526 0.068 9 0 "[ . 1 . 2 . 3 ]" 1
379 1 45 VAL HA 1 46 LYS H 2.414 . 2.897 2.202 2.124 2.402 . 0 0 "[ . 1 . 2 . 3 ]" 1
380 1 45 VAL HB 1 46 LYS H 3.351 2.681 4.021 3.289 2.539 4.169 0.148 18 0 "[ . 1 . 2 . 3 ]" 1
381 1 45 VAL H 1 46 LYS H 4.508 3.606 5.410 4.359 4.202 4.459 . 0 0 "[ . 1 . 2 . 3 ]" 1
382 1 45 VAL QG 1 46 LYS H 3.993 3.254 4.732 3.287 2.960 3.510 0.294 6 0 "[ . 1 . 2 . 3 ]" 1
383 1 46 LYS H 1 46 LYS HA 3.231 2.585 3.877 2.947 2.922 2.975 . 0 0 "[ . 1 . 2 . 3 ]" 1
384 1 46 LYS H 1 46 LYS QG 3.393 2.714 4.072 3.126 2.411 4.105 0.303 20 0 "[ . 1 . 2 . 3 ]" 1
385 1 46 LYS HA 1 47 ILE MD 5.298 4.238 6.358 4.882 4.627 5.936 . 0 0 "[ . 1 . 2 . 3 ]" 1
386 1 7 PRO QD 1 47 ILE MD 4.229 3.383 5.075 3.712 3.271 4.937 0.112 24 0 "[ . 1 . 2 . 3 ]" 1
387 1 36 VAL QG 1 47 ILE H 3.839 3.071 4.607 2.912 2.711 3.004 0.360 24 0 "[ . 1 . 2 . 3 ]" 1
388 1 36 VAL H 1 47 ILE H 3.340 2.672 4.008 4.072 3.589 4.291 0.283 6 0 "[ . 1 . 2 . 3 ]" 1
389 1 37 GLU HA 1 47 ILE H 3.504 2.803 4.205 4.256 4.025 4.467 0.262 30 0 "[ . 1 . 2 . 3 ]" 1
390 1 46 LYS QB 1 47 ILE H 3.920 3.136 4.704 3.280 3.025 3.735 0.111 3 0 "[ . 1 . 2 . 3 ]" 1
391 1 46 LYS HA 1 47 ILE H 2.481 . 2.977 2.179 2.113 2.227 . 0 0 "[ . 1 . 2 . 3 ]" 1
392 1 47 ILE H 1 47 ILE MD 4.258 3.406 5.110 4.036 3.771 4.651 . 0 0 "[ . 1 . 2 . 3 ]" 1
393 1 47 ILE H 1 47 ILE HA 3.461 2.769 4.153 2.960 2.934 2.977 . 0 0 "[ . 1 . 2 . 3 ]" 1
394 1 47 ILE H 1 47 ILE HB 2.802 2.242 3.362 2.818 2.626 3.535 0.173 10 0 "[ . 1 . 2 . 3 ]" 1
395 1 47 ILE HA 1 47 ILE MD 4.511 3.609 5.413 3.841 3.665 4.087 . 0 0 "[ . 1 . 2 . 3 ]" 1
396 1 34 ASP H 1 48 PRO HA 4.339 3.471 5.207 4.640 3.428 5.465 0.258 24 0 "[ . 1 . 2 . 3 ]" 1
397 1 48 PRO HA 1 49 SER H 2.636 2.110 3.163 2.274 2.199 2.756 . 0 0 "[ . 1 . 2 . 3 ]" 1
398 1 31 LYS HA 1 49 SER QB 3.570 2.856 4.284 3.999 2.801 4.750 0.466 11 0 "[ . 1 . 2 . 3 ]" 1
399 1 33 GLN H 1 49 SER H 3.570 2.856 4.284 3.891 2.790 4.464 0.180 23 0 "[ . 1 . 2 . 3 ]" 1
400 1 48 PRO QB 1 49 SER H 4.049 3.259 4.839 3.113 2.950 4.054 0.309 23 0 "[ . 1 . 2 . 3 ]" 1
401 1 2 TYR QD 1 51 VAL QG 4.990 4.092 5.888 3.951 3.763 4.109 0.329 13 0 "[ . 1 . 2 . 3 ]" 1
402 1 4 PHE HA 1 51 VAL QG 4.600 3.800 5.400 5.359 4.891 5.574 0.174 4 0 "[ . 1 . 2 . 3 ]" 1
403 1 4 PHE QB 1 51 VAL QG 4.500 3.700 5.300 4.411 3.619 4.964 0.081 15 0 "[ . 1 . 2 . 3 ]" 1
404 1 50 PRO HA 1 51 VAL H 3.950 3.100 4.800 3.129 2.760 3.537 0.340 30 0 "[ . 1 . 2 . 3 ]" 1
405 1 50 PRO QB 1 51 VAL H 4.014 3.211 4.817 3.844 3.390 4.080 . 0 0 "[ . 1 . 2 . 3 ]" 1
406 1 50 PRO QG 1 51 VAL H 3.673 2.938 4.408 3.700 2.837 4.412 0.101 17 0 "[ . 1 . 2 . 3 ]" 1
407 1 50 PRO QD 1 51 VAL H 3.796 3.037 4.555 3.288 2.762 4.012 0.275 7 0 "[ . 1 . 2 . 3 ]" 1
408 1 51 VAL H 1 51 VAL HA 3.233 2.586 3.880 2.669 2.306 2.974 0.280 30 0 "[ . 1 . 2 . 3 ]" 1
409 1 51 VAL H 1 51 VAL HB 3.707 2.966 4.448 3.467 2.883 3.799 0.083 7 0 "[ . 1 . 2 . 3 ]" 1
410 1 51 VAL QG 1 75 ILE MD 4.739 3.791 5.687 3.920 3.317 4.281 0.474 21 0 "[ . 1 . 2 . 3 ]" 1
411 1 51 VAL HB 1 75 ILE QG 5.320 4.256 6.384 6.046 5.357 6.544 0.160 13 0 "[ . 1 . 2 . 3 ]" 1
412 1 51 VAL HA 1 75 ILE MG 5.320 4.256 6.384 6.019 5.338 6.422 0.038 22 0 "[ . 1 . 2 . 3 ]" 1
413 1 51 VAL HA 1 52 ARG H 2.968 2.374 3.562 2.219 2.150 2.436 0.224 25 0 "[ . 1 . 2 . 3 ]" 1
414 1 51 VAL QG 1 52 ARG H 3.866 3.093 4.639 2.992 2.813 3.583 0.280 24 0 "[ . 1 . 2 . 3 ]" 1
415 1 51 VAL HB 1 52 ARG H 3.584 2.867 4.301 3.901 2.703 4.379 0.164 15 0 "[ . 1 . 2 . 3 ]" 1
416 1 52 ARG H 1 52 ARG QB 2.739 2.191 3.287 2.599 2.202 3.265 . 0 0 "[ . 1 . 2 . 3 ]" 1
417 1 52 ARG HA 1 75 ILE MD 5.096 4.077 6.115 5.267 3.902 6.134 0.175 18 0 "[ . 1 . 2 . 3 ]" 1
418 1 29 VAL H 1 53 GLY H 3.098 2.478 3.718 3.606 2.909 3.884 0.166 31 0 "[ . 1 . 2 . 3 ]" 1
419 1 29 VAL QG 1 53 GLY H 3.365 2.692 4.038 3.188 2.582 4.140 0.110 1 0 "[ . 1 . 2 . 3 ]" 1
420 1 30 GLU HA 1 53 GLY H 3.925 3.140 4.710 4.668 3.793 4.886 0.176 31 0 "[ . 1 . 2 . 3 ]" 1
421 1 52 ARG QG 1 53 GLY H 3.362 2.690 4.034 3.581 2.465 4.330 0.296 31 0 "[ . 1 . 2 . 3 ]" 1
422 1 52 ARG QB 1 53 GLY H 3.662 2.930 4.394 2.930 2.623 3.743 0.307 31 0 "[ . 1 . 2 . 3 ]" 1
423 1 52 ARG QD 1 53 GLY H 4.016 3.213 4.819 4.596 3.062 4.860 0.151 18 0 "[ . 1 . 2 . 3 ]" 1
424 1 52 ARG HA 1 53 GLY H 2.452 . 2.942 2.269 2.169 2.423 . 0 0 "[ . 1 . 2 . 3 ]" 1
425 1 53 GLY H 1 53 GLY QA 2.959 2.367 3.551 2.497 2.482 2.509 . 0 0 "[ . 1 . 2 . 3 ]" 1
426 1 53 GLY H 1 75 ILE MG 4.388 3.510 5.266 4.446 3.456 4.851 0.054 13 0 "[ . 1 . 2 . 3 ]" 1
427 1 53 GLY QA 1 75 ILE MG 4.172 3.338 5.006 3.190 3.000 3.889 0.338 9 0 "[ . 1 . 2 . 3 ]" 1
428 1 53 GLY QA 1 54 LYS H 2.852 2.282 3.422 2.199 2.152 2.311 0.130 24 0 "[ . 1 . 2 . 3 ]" 1
429 1 54 LYS H 1 54 LYS HA 3.141 2.513 3.769 2.977 2.963 2.982 . 0 0 "[ . 1 . 2 . 3 ]" 1
430 1 54 LYS H 1 54 LYS QB 2.600 2.080 3.120 2.520 2.431 2.616 . 0 0 "[ . 1 . 2 . 3 ]" 1
431 1 54 LYS H 1 54 LYS QG 3.732 2.986 4.478 3.571 2.898 4.213 0.088 26 0 "[ . 1 . 2 . 3 ]" 1
432 1 54 LYS HA 1 54 LYS QB 3.223 2.578 3.868 2.413 2.386 2.487 0.192 13 0 "[ . 1 . 2 . 3 ]" 1
433 1 54 LYS H 1 55 ILE H 3.894 3.115 4.673 4.408 4.155 4.487 . 0 0 "[ . 1 . 2 . 3 ]" 1
434 1 54 LYS H 1 75 ILE HA 3.906 3.125 4.687 4.791 4.703 4.882 0.195 3 0 "[ . 1 . 2 . 3 ]" 1
435 1 54 LYS H 1 75 ILE MG 3.577 2.862 4.292 2.841 2.756 3.155 0.106 14 0 "[ . 1 . 2 . 3 ]" 1
436 1 54 LYS H 1 76 ASP H 3.288 2.630 3.946 3.965 3.599 4.074 0.128 8 0 "[ . 1 . 2 . 3 ]" 1
437 1 54 LYS H 1 76 ASP QB 3.827 3.062 4.592 4.502 4.029 4.752 0.160 2 0 "[ . 1 . 2 . 3 ]" 1
438 1 54 LYS H 1 77 THR HA 3.829 3.063 4.595 4.596 4.277 4.684 0.089 7 0 "[ . 1 . 2 . 3 ]" 1
439 1 25 GLU HA 1 55 ILE MG 3.775 3.020 4.530 2.855 2.753 2.966 0.267 4 0 "[ . 1 . 2 . 3 ]" 1
440 1 25 GLU HA 1 55 ILE QG 4.575 3.720 5.430 4.251 3.982 4.507 . 0 0 "[ . 1 . 2 . 3 ]" 1
441 1 26 GLY H 1 55 ILE H 4.762 3.810 5.714 4.571 4.302 4.953 . 0 0 "[ . 1 . 2 . 3 ]" 1
442 1 26 GLY H 1 55 ILE MG 3.971 3.177 4.765 3.710 3.293 4.051 . 0 0 "[ . 1 . 2 . 3 ]" 1
443 1 29 VAL QG 1 55 ILE H 4.445 3.556 5.334 4.462 3.983 5.387 0.053 17 0 "[ . 1 . 2 . 3 ]" 1
444 1 54 LYS QB 1 55 ILE H 3.306 2.645 3.967 3.370 2.777 3.814 . 0 0 "[ . 1 . 2 . 3 ]" 1
445 1 54 LYS QG 1 55 ILE H 3.393 2.714 4.072 3.246 2.569 4.120 0.145 5 0 "[ . 1 . 2 . 3 ]" 1
446 1 54 LYS HA 1 55 ILE H 2.500 . 3.000 2.198 2.142 2.253 . 0 0 "[ . 1 . 2 . 3 ]" 1
447 1 55 ILE H 1 55 ILE MG 4.190 3.352 5.028 3.799 3.758 3.840 . 0 0 "[ . 1 . 2 . 3 ]" 1
448 1 55 ILE H 1 55 ILE HA 3.332 2.666 3.998 2.950 2.921 2.971 . 0 0 "[ . 1 . 2 . 3 ]" 1
449 1 55 ILE HA 1 57 LYS H 3.549 2.839 4.259 4.277 4.096 4.373 0.114 12 0 "[ . 1 . 2 . 3 ]" 1
450 1 55 ILE MD 1 75 ILE HA 5.414 4.331 6.497 4.098 4.023 4.211 0.308 30 0 "[ . 1 . 2 . 3 ]" 1
451 1 55 ILE HA 1 75 ILE HA 3.716 2.973 4.459 3.547 3.366 3.714 . 0 0 "[ . 1 . 2 . 3 ]" 1
452 1 55 ILE HA 1 75 ILE QG 3.716 2.973 4.459 3.039 2.823 3.494 0.150 1 0 "[ . 1 . 2 . 3 ]" 1
453 1 55 ILE HA 1 75 ILE MG 3.716 2.973 4.459 3.747 3.137 4.049 . 0 0 "[ . 1 . 2 . 3 ]" 1
454 1 55 ILE MD 1 75 ILE MD 3.716 2.973 4.459 2.994 2.798 3.537 0.175 17 0 "[ . 1 . 2 . 3 ]" 1
455 1 55 ILE MG 1 56 VAL H 3.819 3.055 4.583 2.978 2.908 3.071 0.147 24 0 "[ . 1 . 2 . 3 ]" 1
456 1 55 ILE MD 1 56 VAL H 4.136 3.309 4.963 4.021 3.940 4.097 . 0 0 "[ . 1 . 2 . 3 ]" 1
457 1 55 ILE HA 1 56 VAL H 2.590 2.072 3.108 2.181 2.155 2.200 . 0 0 "[ . 1 . 2 . 3 ]" 1
458 1 56 VAL H 1 56 VAL HB 2.919 2.335 3.503 2.319 2.292 2.378 0.043 25 0 "[ . 1 . 2 . 3 ]" 1
459 1 56 VAL H 1 56 VAL QG 3.420 2.736 4.104 2.598 2.506 2.721 0.230 26 0 "[ . 1 . 2 . 3 ]" 1
460 1 56 VAL H 1 56 VAL HA 3.387 2.710 4.064 2.910 2.860 2.949 . 0 0 "[ . 1 . 2 . 3 ]" 1
461 1 56 VAL H 1 57 LYS H 2.733 2.186 3.280 2.607 2.361 2.742 . 0 0 "[ . 1 . 2 . 3 ]" 1
462 1 56 VAL H 1 74 GLN H 4.693 3.754 5.632 4.823 4.629 5.037 . 0 0 "[ . 1 . 2 . 3 ]" 1
463 1 56 VAL H 1 75 ILE QG 3.780 3.024 4.536 3.991 3.685 4.337 . 0 0 "[ . 1 . 2 . 3 ]" 1
464 1 56 VAL H 1 75 ILE HA 3.186 2.549 3.823 3.498 3.197 3.791 . 0 0 "[ . 1 . 2 . 3 ]" 1
465 1 56 VAL H 1 75 ILE MG 4.816 3.853 5.779 4.716 4.222 5.009 . 0 0 "[ . 1 . 2 . 3 ]" 1
466 1 56 VAL H 1 76 ASP H 3.726 2.981 4.471 4.381 4.132 4.518 0.047 32 0 "[ . 1 . 2 . 3 ]" 1
467 1 56 VAL QG 1 76 ASP HA 4.574 3.639 5.509 4.870 4.475 5.359 . 0 0 "[ . 1 . 2 . 3 ]" 1
468 1 56 VAL QG 1 76 ASP QB 4.174 3.339 5.009 3.210 3.093 3.323 0.246 5 0 "[ . 1 . 2 . 3 ]" 1
469 1 25 GLU HA 1 57 LYS H 4.432 3.546 5.318 5.426 5.287 5.572 0.254 17 0 "[ . 1 . 2 . 3 ]" 1
470 1 55 ILE MG 1 57 LYS H 3.797 3.038 4.556 3.199 2.940 3.444 0.098 19 0 "[ . 1 . 2 . 3 ]" 1
471 1 56 VAL QG 1 57 LYS H 3.620 2.896 4.344 2.869 2.801 3.079 0.095 33 0 "[ . 1 . 2 . 3 ]" 1
472 1 56 VAL HA 1 57 LYS H 3.510 2.808 4.212 3.608 3.584 3.632 . 0 0 "[ . 1 . 2 . 3 ]" 1
473 1 56 VAL HB 1 57 LYS H 2.729 2.183 3.275 2.591 2.491 2.774 . 0 0 "[ . 1 . 2 . 3 ]" 1
474 1 57 LYS H 1 57 LYS HA 3.182 2.546 3.818 2.906 2.839 2.959 . 0 0 "[ . 1 . 2 . 3 ]" 1
475 1 57 LYS H 1 57 LYS QB 2.934 2.347 3.521 2.852 2.664 3.174 . 0 0 "[ . 1 . 2 . 3 ]" 1
476 1 57 LYS H 1 58 ILE H 4.028 3.222 4.834 4.380 4.297 4.449 . 0 0 "[ . 1 . 2 . 3 ]" 1
477 1 57 LYS HA 1 58 ILE H 2.393 . 2.872 2.314 2.261 2.361 . 0 0 "[ . 1 . 2 . 3 ]" 1
478 1 57 LYS H 1 73 LEU HA 4.860 3.928 5.792 5.324 5.074 5.838 0.046 33 0 "[ . 1 . 2 . 3 ]" 1
479 1 57 LYS H 1 74 GLN QB 4.206 3.365 5.047 3.863 3.600 4.243 . 0 0 "[ . 1 . 2 . 3 ]" 1
480 1 24 LYS HA 1 58 ILE MD 4.036 3.229 4.843 3.992 3.253 4.694 . 0 0 "[ . 1 . 2 . 3 ]" 1
481 1 25 GLU QG 1 58 ILE H 3.536 2.829 4.243 3.947 2.685 4.388 0.145 33 0 "[ . 1 . 2 . 3 ]" 1
482 1 55 ILE MG 1 58 ILE H 4.924 3.939 5.909 4.891 4.508 5.235 . 0 0 "[ . 1 . 2 . 3 ]" 1
483 1 57 LYS QB 1 58 ILE H 3.228 2.582 3.874 3.228 2.510 3.452 0.072 12 0 "[ . 1 . 2 . 3 ]" 1
484 1 58 ILE H 1 58 ILE HA 3.411 2.729 4.093 2.944 2.894 2.964 . 0 0 "[ . 1 . 2 . 3 ]" 1
485 1 58 ILE H 1 58 ILE HB 2.685 2.148 3.222 2.691 2.353 3.159 . 0 0 "[ . 1 . 2 . 3 ]" 1
486 1 58 ILE H 1 58 ILE MD 3.978 3.182 4.774 4.456 4.360 4.624 . 0 0 "[ . 1 . 2 . 3 ]" 1
487 1 58 ILE H 1 58 ILE QG 3.214 2.571 3.857 4.013 3.913 4.068 0.211 22 0 "[ . 1 . 2 . 3 ]" 1
488 1 58 ILE HA 1 58 ILE MD 4.842 3.874 5.810 3.794 3.722 3.833 0.152 29 0 "[ . 1 . 2 . 3 ]" 1
489 1 58 ILE MG 1 61 ARG HA 5.360 4.288 6.432 4.497 4.196 5.056 0.092 19 0 "[ . 1 . 2 . 3 ]" 1
490 1 58 ILE HA 1 73 LEU QD 4.347 3.478 5.216 3.171 2.951 3.373 0.527 25 2 "[ . 1 . -2 + 3 ]" 1
491 1 58 ILE HA 1 73 LEU QB 4.296 3.417 5.175 4.018 2.773 4.718 0.644 33 1 "[ . 1 . 2 . 3 +]" 1
492 1 58 ILE MG 1 73 LEU QD 4.088 3.310 4.866 4.628 3.946 5.038 0.172 33 0 "[ . 1 . 2 . 3 ]" 1
493 1 58 ILE QG 1 73 LEU QB 3.575 2.840 4.310 4.101 3.636 4.446 0.136 14 0 "[ . 1 . 2 . 3 ]" 1
494 1 58 ILE QG 1 73 LEU QD 3.675 2.880 4.470 3.222 2.822 3.754 0.058 4 0 "[ . 1 . 2 . 3 ]" 1
495 1 58 ILE MG 1 59 LEU H 3.682 2.946 4.418 3.895 3.650 4.012 . 0 0 "[ . 1 . 2 . 3 ]" 1
496 1 58 ILE H 1 59 LEU H 4.018 3.214 4.822 4.344 4.233 4.459 . 0 0 "[ . 1 . 2 . 3 ]" 1
497 1 58 ILE HA 1 59 LEU H 2.581 2.065 3.097 2.152 2.119 2.191 . 0 0 "[ . 1 . 2 . 3 ]" 1
498 1 59 LEU H 1 59 LEU HA 3.207 2.566 3.848 2.940 2.831 2.971 . 0 0 "[ . 1 . 2 . 3 ]" 1
499 1 59 LEU H 1 59 LEU QB 2.823 2.258 3.388 2.385 2.280 2.458 . 0 0 "[ . 1 . 2 . 3 ]" 1
500 1 59 LEU H 1 59 LEU QD 4.209 3.367 5.051 3.383 3.092 3.829 0.275 14 0 "[ . 1 . 2 . 3 ]" 1
501 1 59 LEU QB 1 60 TYR H 3.421 2.737 4.105 3.023 2.647 3.125 0.090 21 0 "[ . 1 . 2 . 3 ]" 1
502 1 59 LEU H 1 60 TYR H 2.789 2.231 3.347 2.231 2.066 2.714 0.165 14 0 "[ . 1 . 2 . 3 ]" 1
503 1 59 LEU H 1 73 LEU HA 3.292 2.634 3.950 3.344 2.747 3.914 . 0 0 "[ . 1 . 2 . 3 ]" 1
504 1 59 LEU H 1 73 LEU HG 4.566 3.815 5.317 4.397 3.666 5.823 0.506 19 1 "[ . 1 . +2 . 3 ]" 1
505 1 59 LEU H 1 73 LEU QD 4.292 3.534 5.050 3.989 3.353 4.374 0.181 7 0 "[ . 1 . 2 . 3 ]" 1
506 1 58 ILE MG 1 60 TYR H 3.244 2.595 3.893 3.862 3.737 3.986 0.093 29 0 "[ . 1 . 2 . 3 ]" 1
507 1 59 LEU HA 1 60 TYR H 3.302 2.642 3.962 3.450 3.422 3.568 . 0 0 "[ . 1 . 2 . 3 ]" 1
508 1 60 TYR QB 1 60 TYR QD 3.287 2.630 3.944 2.199 2.176 2.229 0.454 12 0 "[ . 1 . 2 . 3 ]" 1
509 1 60 TYR QB 1 60 TYR QE 3.953 3.162 4.744 3.992 3.976 4.004 . 0 0 "[ . 1 . 2 . 3 ]" 1
510 1 60 TYR HA 1 60 TYR QD 3.593 2.874 4.312 2.920 2.733 3.068 0.141 28 0 "[ . 1 . 2 . 3 ]" 1
511 1 60 TYR H 1 60 TYR HA 3.177 2.542 3.812 2.967 2.937 2.979 . 0 0 "[ . 1 . 2 . 3 ]" 1
512 1 60 TYR H 1 60 TYR QB 3.005 2.404 3.606 2.362 2.291 2.872 0.113 17 0 "[ . 1 . 2 . 3 ]" 1
513 1 60 TYR H 1 60 TYR QE 4.666 3.773 5.559 5.056 4.578 5.500 . 0 0 "[ . 1 . 2 . 3 ]" 1
514 1 60 TYR QB 1 66 VAL QG 6.244 4.995 7.493 4.959 4.742 5.243 0.253 22 0 "[ . 1 . 2 . 3 ]" 1
515 1 60 TYR H 1 66 VAL QG 6.291 5.033 7.549 6.895 6.047 7.595 0.046 30 0 "[ . 1 . 2 . 3 ]" 1
516 1 60 TYR H 1 72 LEU HA 4.057 3.246 4.868 4.708 4.189 4.969 0.101 28 0 "[ . 1 . 2 . 3 ]" 1
517 1 60 TYR H 1 72 LEU QD 4.558 3.646 5.470 4.818 4.114 5.506 0.036 27 0 "[ . 1 . 2 . 3 ]" 1
518 1 21 TRP HE1 1 61 ARG H 5.337 4.270 6.404 4.494 4.175 5.672 0.095 28 0 "[ . 1 . 2 . 3 ]" 1
519 1 60 TYR H 1 61 ARG H 3.764 3.011 4.517 4.505 4.438 4.551 0.034 17 0 "[ . 1 . 2 . 3 ]" 1
520 1 60 TYR QB 1 61 ARG H 3.779 3.023 4.535 2.963 2.807 3.099 0.216 21 0 "[ . 1 . 2 . 3 ]" 1
521 1 60 TYR HA 1 61 ARG H 2.620 2.096 3.144 2.188 2.128 2.282 . 0 0 "[ . 1 . 2 . 3 ]" 1
522 1 61 ARG H 1 61 ARG QB 3.205 2.564 3.846 2.597 2.470 3.042 0.094 26 0 "[ . 1 . 2 . 3 ]" 1
523 1 61 ARG H 1 61 ARG HA 3.101 2.481 3.721 2.969 2.958 2.976 . 0 0 "[ . 1 . 2 . 3 ]" 1
524 1 18 ILE HB 1 62 GLU HA 3.589 2.871 4.307 3.433 2.835 3.959 0.036 21 0 "[ . 1 . 2 . 3 ]" 1
525 1 18 ILE QG 1 62 GLU HA 4.989 4.001 5.977 4.958 4.542 5.357 . 0 0 "[ . 1 . 2 . 3 ]" 1
526 1 18 ILE MD 1 62 GLU HA 4.589 3.671 5.507 5.420 3.603 5.632 0.125 15 0 "[ . 1 . 2 . 3 ]" 1
527 1 18 ILE MG 1 62 GLU HA 3.589 2.871 4.307 3.064 2.769 3.617 0.102 24 0 "[ . 1 . 2 . 3 ]" 1
528 1 18 ILE MG 1 62 GLU H 4.589 3.671 5.507 4.818 4.448 5.161 . 0 0 "[ . 1 . 2 . 3 ]" 1
529 1 18 ILE MG 1 62 GLU QB 5.089 4.171 6.007 4.397 4.122 4.692 0.049 7 0 "[ . 1 . 2 . 3 ]" 1
530 1 21 TRP HE1 1 62 GLU H 3.536 2.829 4.243 4.100 3.839 4.271 0.028 22 0 "[ . 1 . 2 . 3 ]" 1
531 1 61 ARG QD 1 62 GLU H 4.110 3.288 4.932 4.477 3.555 4.997 0.065 32 0 "[ . 1 . 2 . 3 ]" 1
532 1 62 GLU H 1 62 GLU QG 2.879 2.303 3.455 2.293 2.141 2.924 0.162 5 0 "[ . 1 . 2 . 3 ]" 1
533 1 62 GLU H 1 62 GLU QB 3.050 2.440 3.660 2.420 2.381 2.509 0.059 11 0 "[ . 1 . 2 . 3 ]" 1
534 1 62 GLU H 1 62 GLU HA 3.082 2.466 3.698 2.801 2.760 2.834 . 0 0 "[ . 1 . 2 . 3 ]" 1
535 1 18 ILE MG 1 63 GLY H 3.996 3.197 4.795 3.808 3.199 4.805 0.010 21 0 "[ . 1 . 2 . 3 ]" 1
536 1 18 ILE HB 1 63 GLY H 2.977 2.382 3.572 3.537 3.205 3.711 0.139 30 0 "[ . 1 . 2 . 3 ]" 1
537 1 62 GLU QG 1 63 GLY H 3.424 2.739 4.109 3.978 3.738 4.351 0.242 10 0 "[ . 1 . 2 . 3 ]" 1
538 1 62 GLU HA 1 63 GLY H 2.481 . 2.977 2.183 2.127 2.271 . 0 0 "[ . 1 . 2 . 3 ]" 1
539 1 62 GLU H 1 63 GLY H 4.620 3.696 5.544 4.602 4.550 4.658 . 0 0 "[ . 1 . 2 . 3 ]" 1
540 1 63 GLY H 1 63 GLY QA 3.143 2.514 3.772 2.263 2.246 2.306 0.268 8 0 "[ . 1 . 2 . 3 ]" 1
541 1 63 GLY H 1 64 GLN H 2.903 2.322 3.484 2.515 2.301 2.609 0.021 21 0 "[ . 1 . 2 . 3 ]" 1
542 1 17 GLU HA 1 64 GLN H 4.404 3.523 5.285 5.196 4.988 5.371 0.086 27 0 "[ . 1 . 2 . 3 ]" 1
543 1 17 GLU QG 1 64 GLN H 4.823 3.942 5.704 4.599 3.903 5.834 0.130 31 0 "[ . 1 . 2 . 3 ]" 1
544 1 18 ILE MG 1 64 GLN H 4.668 3.734 5.602 4.622 4.220 5.209 . 0 0 "[ . 1 . 2 . 3 ]" 1
545 1 18 ILE HB 1 64 GLN H 3.215 2.572 3.858 3.530 3.196 3.934 0.076 12 0 "[ . 1 . 2 . 3 ]" 1
546 1 18 ILE QG 1 64 GLN H 4.091 3.273 4.909 4.653 3.973 4.929 0.020 24 0 "[ . 1 . 2 . 3 ]" 1
547 1 60 TYR QD 1 64 GLN QG 4.097 3.378 4.816 4.017 3.282 4.870 0.096 26 0 "[ . 1 . 2 . 3 ]" 1
548 1 62 GLU HA 1 64 GLN H 3.352 2.682 4.022 3.352 3.223 3.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
549 1 63 GLY QA 1 64 GLN H 3.524 2.819 4.229 2.946 2.930 2.973 . 0 0 "[ . 1 . 2 . 3 ]" 1
550 1 64 GLN H 1 64 GLN HA 3.151 2.521 3.781 2.913 2.852 2.958 . 0 0 "[ . 1 . 2 . 3 ]" 1
551 1 64 GLN QG 1 65 VAL H 3.097 2.478 3.716 3.201 2.422 4.029 0.313 33 0 "[ . 1 . 2 . 3 ]" 1
552 1 64 GLN QB 1 65 VAL H 2.997 2.398 3.596 3.374 2.917 3.712 0.116 28 0 "[ . 1 . 2 . 3 ]" 1
553 1 64 GLN HA 1 65 VAL H 2.472 . 2.966 2.134 2.067 2.208 . 0 0 "[ . 1 . 2 . 3 ]" 1
554 1 65 VAL H 1 65 VAL HA 3.296 2.637 3.955 2.971 2.931 2.984 . 0 0 "[ . 1 . 2 . 3 ]" 1
555 1 65 VAL H 1 65 VAL HB 3.047 2.418 3.676 3.061 2.474 3.482 . 0 0 "[ . 1 . 2 . 3 ]" 1
556 1 15 GLU HA 1 66 VAL H 4.288 3.430 5.146 4.839 4.321 5.204 0.058 11 0 "[ . 1 . 2 . 3 ]" 1
557 1 17 GLU HA 1 66 VAL H 3.308 2.646 3.970 4.025 3.740 4.169 0.199 18 0 "[ . 1 . 2 . 3 ]" 1
558 1 60 TYR QD 1 66 VAL QG 4.234 3.387 5.081 3.598 3.314 4.960 0.073 12 0 "[ . 1 . 2 . 3 ]" 1
559 1 65 VAL HB 1 66 VAL H 3.480 2.784 4.176 4.209 4.128 4.321 0.145 31 0 "[ . 1 . 2 . 3 ]" 1
560 1 65 VAL HA 1 66 VAL H 2.413 . 2.896 2.182 2.134 2.222 . 0 0 "[ . 1 . 2 . 3 ]" 1
561 1 66 VAL H 1 66 VAL HB 3.029 2.423 3.635 2.994 2.812 3.709 0.074 33 0 "[ . 1 . 2 . 3 ]" 1
562 1 6 LEU H 1 68 VAL HA 4.830 3.964 5.696 5.648 5.008 5.856 0.160 7 0 "[ . 1 . 2 . 3 ]" 1
563 1 6 LEU QB 1 68 VAL HA 4.125 3.300 4.950 4.024 3.572 4.266 . 0 0 "[ . 1 . 2 . 3 ]" 1
564 1 6 LEU QD 1 68 VAL HA 4.538 3.650 5.426 4.044 3.626 4.360 0.024 29 0 "[ . 1 . 2 . 3 ]" 1
565 1 6 LEU QD 1 68 VAL H 4.538 3.650 5.426 5.245 4.635 5.610 0.184 2 0 "[ . 1 . 2 . 3 ]" 1
566 1 6 LEU QB 1 68 VAL QG 3.896 3.117 4.675 2.968 2.823 3.224 0.294 22 0 "[ . 1 . 2 . 3 ]" 1
567 1 8 ASP HA 1 68 VAL QG 3.796 3.117 4.475 3.665 2.913 4.735 0.260 23 0 "[ . 1 . 2 . 3 ]" 1
568 1 8 ASP QB 1 68 VAL QG 4.296 3.417 5.175 3.836 3.278 4.556 0.139 21 0 "[ . 1 . 2 . 3 ]" 1
569 1 8 ASP H 1 68 VAL QG 3.796 3.117 4.475 4.393 3.477 4.712 0.237 20 0 "[ . 1 . 2 . 3 ]" 1
570 1 15 GLU QB 1 68 VAL H 3.809 3.047 4.571 4.737 4.593 4.981 0.410 32 0 "[ . 1 . 2 . 3 ]" 1
571 1 15 GLU HA 1 68 VAL H 3.460 2.768 4.152 3.049 2.699 3.606 0.069 4 0 "[ . 1 . 2 . 3 ]" 1
572 1 67 PRO QB 1 68 VAL H 3.729 2.983 4.475 3.063 2.942 3.225 0.041 31 0 "[ . 1 . 2 . 3 ]" 1
573 1 67 PRO HA 1 68 VAL H 2.607 2.086 3.128 2.240 2.193 2.295 . 0 0 "[ . 1 . 2 . 3 ]" 1
574 1 68 VAL H 1 68 VAL HB 2.663 2.130 3.196 2.645 2.297 3.569 0.373 19 0 "[ . 1 . 2 . 3 ]" 1
575 1 68 VAL H 1 68 VAL HA 3.318 2.654 3.982 2.807 2.758 2.857 . 0 0 "[ . 1 . 2 . 3 ]" 1
576 1 68 VAL HA 1 69 GLY H 2.594 2.075 3.113 2.149 2.106 2.255 . 0 0 "[ . 1 . 2 . 3 ]" 1
577 1 68 VAL H 1 69 GLY H 3.965 3.172 4.758 4.568 4.522 4.650 . 0 0 "[ . 1 . 2 . 3 ]" 1
578 1 68 VAL QG 1 69 GLY H 3.375 2.700 4.050 2.638 2.509 3.404 0.191 25 0 "[ . 1 . 2 . 3 ]" 1
579 1 68 VAL QG 1 70 SER H 4.311 3.449 5.173 4.069 3.770 4.971 . 0 0 "[ . 1 . 2 . 3 ]" 1
580 1 68 VAL HA 1 70 SER H 3.353 2.682 4.024 4.134 4.045 4.200 0.176 27 0 "[ . 1 . 2 . 3 ]" 1
581 1 5 LYS QD 1 69 GLY H 5.234 4.268 6.200 5.539 4.405 6.202 0.002 19 0 "[ . 1 . 2 . 3 ]" 1
582 1 6 LEU QD 1 69 GLY H 4.834 3.987 5.681 4.911 4.454 5.266 . 0 0 "[ . 1 . 2 . 3 ]" 1
583 1 68 VAL HB 1 69 GLY H 3.802 3.042 4.562 4.071 2.930 4.323 0.112 19 0 "[ . 1 . 2 . 3 ]" 1
584 1 69 GLY H 1 69 GLY QA 3.067 2.454 3.680 2.413 2.340 2.456 0.114 26 0 "[ . 1 . 2 . 3 ]" 1
585 1 6 LEU QB 1 70 SER H 4.041 3.273 4.809 4.876 4.583 4.977 0.168 23 0 "[ . 1 . 2 . 3 ]" 1
586 1 66 VAL QG 1 70 SER QB 4.537 3.630 5.444 3.516 3.363 3.611 0.267 26 0 "[ . 1 . 2 . 3 ]" 1
587 1 66 VAL QG 1 70 SER H 5.073 4.138 6.008 5.492 5.280 5.758 . 0 0 "[ . 1 . 2 . 3 ]" 1
588 1 69 GLY QA 1 70 SER H 3.347 2.678 4.016 2.653 2.593 2.696 0.085 4 0 "[ . 1 . 2 . 3 ]" 1
589 1 69 GLY H 1 70 SER H 2.932 2.346 3.518 2.165 2.089 2.250 0.257 23 0 "[ . 1 . 2 . 3 ]" 1
590 1 70 SER H 1 70 SER QB 3.139 2.511 3.767 3.115 2.842 3.324 . 0 0 "[ . 1 . 2 . 3 ]" 1
591 1 70 SER H 1 70 SER HA 3.082 2.466 3.698 2.893 2.863 2.932 . 0 0 "[ . 1 . 2 . 3 ]" 1
592 1 4 PHE QD 1 72 LEU QB 3.551 2.841 4.261 2.968 2.704 3.888 0.137 33 0 "[ . 1 . 2 . 3 ]" 1
593 1 6 LEU H 1 72 LEU H 3.851 3.081 4.621 4.758 4.617 4.884 0.263 25 0 "[ . 1 . 2 . 3 ]" 1
594 1 60 TYR QD 1 72 LEU QB 3.624 2.899 4.349 3.917 3.027 4.447 0.098 21 0 "[ . 1 . 2 . 3 ]" 1
595 1 66 VAL QG 1 72 LEU QD 4.680 3.744 5.616 3.862 3.530 4.928 0.214 12 0 "[ . 1 . 2 . 3 ]" 1
596 1 71 THR HA 1 72 LEU H 2.584 2.067 3.101 2.149 2.102 2.205 . 0 0 "[ . 1 . 2 . 3 ]" 1
597 1 71 THR MG 1 72 LEU H 3.535 2.828 4.242 3.668 2.848 4.055 . 0 0 "[ . 1 . 2 . 3 ]" 1
598 1 72 LEU H 1 72 LEU HA 2.909 2.327 3.491 2.866 2.818 2.967 . 0 0 "[ . 1 . 2 . 3 ]" 1
599 1 72 LEU H 1 72 LEU QB 2.850 2.280 3.420 2.410 2.233 2.636 0.047 19 0 "[ . 1 . 2 . 3 ]" 1
600 1 72 LEU H 1 72 LEU HG 2.945 2.356 3.534 2.838 2.195 3.783 0.249 6 0 "[ . 1 . 2 . 3 ]" 1
601 1 4 PHE QD 1 73 LEU QD 4.087 3.270 4.904 3.989 3.315 4.230 . 0 0 "[ . 1 . 2 . 3 ]" 1
602 1 4 PHE QD 1 73 LEU QB 4.087 3.270 4.904 3.324 3.160 5.137 0.233 33 0 "[ . 1 . 2 . 3 ]" 1
603 1 4 PHE QB 1 73 LEU H 3.614 2.891 4.337 3.868 3.259 4.411 0.074 29 0 "[ . 1 . 2 . 3 ]" 1
604 1 4 PHE H 1 73 LEU H 3.440 2.752 4.128 3.967 3.479 4.272 0.144 20 0 "[ . 1 . 2 . 3 ]" 1
605 1 4 PHE QD 1 73 LEU H 4.448 3.558 5.338 3.990 3.447 4.645 0.111 10 0 "[ . 1 . 2 . 3 ]" 1
606 1 58 ILE HA 1 73 LEU HA 3.583 2.866 4.300 3.817 3.275 4.442 0.142 33 0 "[ . 1 . 2 . 3 ]" 1
607 1 59 LEU QD 1 73 LEU H 4.162 3.330 4.994 4.535 3.297 5.085 0.091 17 0 "[ . 1 . 2 . 3 ]" 1
608 1 71 THR MG 1 73 LEU H 3.440 2.752 4.128 3.482 2.629 4.375 0.247 19 0 "[ . 1 . 2 . 3 ]" 1
609 1 71 THR HA 1 73 LEU H 3.328 2.662 3.994 3.774 3.448 4.019 0.025 33 0 "[ . 1 . 2 . 3 ]" 1
610 1 72 LEU QB 1 73 LEU H 2.798 2.238 3.358 2.759 2.351 3.392 0.034 7 0 "[ . 1 . 2 . 3 ]" 1
611 1 72 LEU H 1 73 LEU H 2.589 2.071 3.107 2.572 2.257 2.721 . 0 0 "[ . 1 . 2 . 3 ]" 1
612 1 72 LEU HA 1 73 LEU H 3.371 2.697 4.045 3.489 3.296 3.563 . 0 0 "[ . 1 . 2 . 3 ]" 1
613 1 73 LEU H 1 73 LEU QB 2.870 2.296 3.444 2.776 2.618 3.157 . 0 0 "[ . 1 . 2 . 3 ]" 1
614 1 73 LEU H 1 73 LEU QD 3.820 3.056 4.584 3.981 3.388 4.133 . 0 0 "[ . 1 . 2 . 3 ]" 1
615 1 73 LEU H 1 73 LEU HA 3.056 2.445 3.667 2.902 2.795 2.957 . 0 0 "[ . 1 . 2 . 3 ]" 1
616 1 73 LEU HA 1 74 GLN H 2.422 . 2.906 2.300 2.236 2.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
617 1 73 LEU H 1 74 GLN H 4.069 3.255 4.883 4.320 4.203 4.412 . 0 0 "[ . 1 . 2 . 3 ]" 1
618 1 58 ILE HA 1 74 GLN H 3.808 3.046 4.570 4.723 4.257 4.900 0.330 28 0 "[ . 1 . 2 . 3 ]" 1
619 1 57 LYS H 1 74 GLN H 3.106 2.485 3.727 3.817 3.732 3.918 0.191 16 0 "[ . 1 . 2 . 3 ]" 1
620 1 57 LYS QB 1 74 GLN QB 4.026 3.181 4.871 4.180 3.280 4.752 . 0 0 "[ . 1 . 2 . 3 ]" 1
621 1 57 LYS QB 1 74 GLN H 4.087 3.210 4.964 4.697 3.847 5.151 0.187 10 0 "[ . 1 . 2 . 3 ]" 1
622 1 73 LEU QB 1 74 GLN H 3.013 2.410 3.616 3.445 2.312 3.587 0.098 33 0 "[ . 1 . 2 . 3 ]" 1
623 1 74 GLN H 1 74 GLN QG 4.288 3.550 5.026 3.767 3.184 4.126 0.366 2 0 "[ . 1 . 2 . 3 ]" 1
624 1 2 TYR QB 1 75 ILE H 3.524 2.819 4.229 4.375 4.185 4.521 0.292 19 0 "[ . 1 . 2 . 3 ]" 1
625 1 2 TYR HA 1 75 ILE HB 4.414 3.531 5.297 5.387 5.131 5.491 0.194 6 0 "[ . 1 . 2 . 3 ]" 1
626 1 2 TYR QD 1 75 ILE MD 5.299 4.239 6.359 4.325 4.126 5.159 0.113 4 0 "[ . 1 . 2 . 3 ]" 1
627 1 51 VAL QG 1 75 ILE MG 4.483 3.586 5.380 3.935 3.520 4.378 0.066 6 0 "[ . 1 . 2 . 3 ]" 1
628 1 56 VAL QG 1 75 ILE HA 4.383 3.506 5.260 3.759 3.427 4.269 0.079 24 0 "[ . 1 . 2 . 3 ]" 1
629 1 74 GLN HA 1 75 ILE H 2.516 2.013 3.019 2.163 2.130 2.208 . 0 0 "[ . 1 . 2 . 3 ]" 1
630 1 74 GLN QB 1 75 ILE H 3.022 2.418 3.626 3.595 3.126 3.814 0.188 1 0 "[ . 1 . 2 . 3 ]" 1
631 1 75 ILE H 1 75 ILE HA 3.344 2.675 4.013 2.974 2.965 2.982 . 0 0 "[ . 1 . 2 . 3 ]" 1
632 1 75 ILE H 1 75 ILE MD 4.566 3.653 5.479 3.835 3.616 3.938 0.037 13 0 "[ . 1 . 2 . 3 ]" 1
633 1 75 ILE H 1 75 ILE QG 3.769 3.015 4.523 2.881 2.732 2.949 0.283 3 0 "[ . 1 . 2 . 3 ]" 1
634 1 75 ILE H 1 75 ILE MG 4.444 3.555 5.333 3.836 3.790 3.896 . 0 0 "[ . 1 . 2 . 3 ]" 1
635 1 75 ILE H 1 75 ILE HB 2.999 2.399 3.599 2.590 2.490 2.722 . 0 0 "[ . 1 . 2 . 3 ]" 1
636 1 2 TYR H 1 76 ASP HA 3.730 2.984 4.476 3.098 2.913 3.450 0.071 5 0 "[ . 1 . 2 . 3 ]" 1
637 1 54 LYS QB 1 76 ASP H 4.134 3.311 4.957 3.836 3.467 4.279 . 0 0 "[ . 1 . 2 . 3 ]" 1
638 1 54 LYS QB 1 76 ASP QB 3.866 3.093 4.639 3.412 2.981 4.331 0.112 6 0 "[ . 1 . 2 . 3 ]" 1
639 1 55 ILE HA 1 76 ASP H 3.701 2.961 4.441 4.574 4.419 4.719 0.278 16 0 "[ . 1 . 2 . 3 ]" 1
640 1 56 VAL QG 1 76 ASP H 3.778 3.022 4.534 3.321 2.996 3.717 0.026 24 0 "[ . 1 . 2 . 3 ]" 1
641 1 75 ILE HA 1 76 ASP H 2.607 2.086 3.128 2.104 2.078 2.123 0.008 32 0 "[ . 1 . 2 . 3 ]" 1
642 1 75 ILE MG 1 76 ASP H 3.658 2.926 4.390 2.697 2.649 2.740 0.277 30 0 "[ . 1 . 2 . 3 ]" 1
643 1 75 ILE QG 1 76 ASP H 4.152 3.322 4.982 4.060 3.995 4.200 . 0 0 "[ . 1 . 2 . 3 ]" 1
644 1 75 ILE HB 1 76 ASP H 3.322 2.658 3.986 4.223 4.164 4.251 0.265 7 0 "[ . 1 . 2 . 3 ]" 1
645 1 76 ASP H 1 76 ASP QB 3.015 2.412 3.618 2.415 2.366 2.826 0.046 10 0 "[ . 1 . 2 . 3 ]" 1
646 1 76 ASP H 1 76 ASP HA 3.346 2.677 4.015 2.945 2.906 2.965 . 0 0 "[ . 1 . 2 . 3 ]" 1
647 1 76 ASP HA 1 77 THR H 2.675 2.140 3.210 2.190 2.142 2.264 . 0 0 "[ . 1 . 2 . 3 ]" 1
648 1 77 THR H 1 77 THR HA 3.457 2.766 4.148 2.868 2.740 2.968 0.026 22 0 "[ . 1 . 2 . 3 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 98
_Distance_constraint_stats_list.Viol_total 223.973
_Distance_constraint_stats_list.Viol_max 0.247
_Distance_constraint_stats_list.Viol_rms 0.0394
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0171
_Distance_constraint_stats_list.Viol_average_violations_only 0.0693
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 TYR 0.126 0.067 1 0 "[ . 1 . 2 . 3 ]"
1 16 GLY 0.088 0.062 23 0 "[ . 1 . 2 . 3 ]"
1 38 VAL 6.573 0.247 32 0 "[ . 1 . 2 . 3 ]"
1 45 VAL 6.573 0.247 32 0 "[ . 1 . 2 . 3 ]"
1 66 VAL 0.088 0.062 23 0 "[ . 1 . 2 . 3 ]"
1 75 ILE 0.126 0.067 1 0 "[ . 1 . 2 . 3 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 TYR O 1 75 ILE H 2.300 . 2.500 2.359 2.159 2.567 0.067 1 0 "[ . 1 . 2 . 3 ]" 2
2 1 2 TYR O 1 75 ILE N 3.300 2.500 3.500 3.232 3.056 3.445 . 0 0 "[ . 1 . 2 . 3 ]" 2
3 1 2 TYR H 1 75 ILE O 2.300 . 2.500 2.040 1.729 2.274 . 0 0 "[ . 1 . 2 . 3 ]" 2
4 1 2 TYR N 1 75 ILE O 3.300 2.500 3.500 2.763 2.537 3.119 . 0 0 "[ . 1 . 2 . 3 ]" 2
5 1 16 GLY O 1 66 VAL H 2.300 . 2.500 2.226 1.822 2.483 . 0 0 "[ . 1 . 2 . 3 ]" 2
6 1 16 GLY O 1 66 VAL N 3.300 2.500 3.500 3.156 2.786 3.373 . 0 0 "[ . 1 . 2 . 3 ]" 2
7 1 16 GLY H 1 66 VAL O 2.300 . 2.500 2.217 1.623 2.562 0.062 23 0 "[ . 1 . 2 . 3 ]" 2
8 1 16 GLY N 1 66 VAL O 3.300 2.500 3.500 3.070 2.572 3.501 0.001 23 0 "[ . 1 . 2 . 3 ]" 2
9 1 38 VAL O 1 45 VAL H 2.300 . 2.500 2.614 2.406 2.747 0.247 32 0 "[ . 1 . 2 . 3 ]" 2
10 1 38 VAL O 1 45 VAL N 3.300 2.500 3.500 3.532 3.366 3.616 0.116 15 0 "[ . 1 . 2 . 3 ]" 2
11 1 38 VAL H 1 45 VAL O 2.300 . 2.500 2.507 2.364 2.601 0.101 21 0 "[ . 1 . 2 . 3 ]" 2
12 1 38 VAL N 1 45 VAL O 3.300 2.500 3.500 3.465 3.332 3.579 0.079 21 0 "[ . 1 . 2 . 3 ]" 2
stop_
save_
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