NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
626295 |
5y4b   |
36111 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5y4b
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 489
_Distance_constraint_stats_list.Viol_count 519
_Distance_constraint_stats_list.Viol_total 1324.966
_Distance_constraint_stats_list.Viol_max 0.576
_Distance_constraint_stats_list.Viol_rms 0.0376
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0068
_Distance_constraint_stats_list.Viol_average_violations_only 0.1276
_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 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 1.074 0.261 7 0 "[ . 1 . 2]"
1 4 THR 1.052 0.261 7 0 "[ . 1 . 2]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLN 0.023 0.016 11 0 "[ . 1 . 2]"
1 7 GLY 1.015 0.112 4 0 "[ . 1 . 2]"
1 8 LEU 8.831 0.390 2 0 "[ . 1 . 2]"
1 9 ARG 3.044 0.408 9 0 "[ . 1 . 2]"
1 10 GLU 8.747 0.408 9 0 "[ . 1 . 2]"
1 11 ARG 8.958 0.390 2 0 "[ . 1 . 2]"
1 12 ILE 15.988 0.452 5 0 "[ . 1 . 2]"
1 13 GLU 6.457 0.239 7 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 10.176 0.452 5 0 "[ . 1 . 2]"
1 16 ILE 4.459 0.508 2 1 "[ + . 1 . 2]"
1 17 PRO 0.551 0.096 17 0 "[ . 1 . 2]"
1 18 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 1.219 0.135 3 0 "[ . 1 . 2]"
1 20 TYR 3.570 0.508 2 1 "[ + . 1 . 2]"
1 21 HIS 1.663 0.268 17 0 "[ . 1 . 2]"
1 22 ILE 1.480 0.268 17 0 "[ . 1 . 2]"
1 23 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.169 0.092 9 0 "[ . 1 . 2]"
1 28 SER 0.040 0.040 17 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 0.462 0.101 12 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 2.711 0.383 20 0 "[ . 1 . 2]"
1 42 ASP 3.549 0.362 10 0 "[ . 1 . 2]"
1 43 PHE 1.979 0.383 20 0 "[ . 1 . 2]"
1 44 PHE 3.174 0.362 10 0 "[ . 1 . 2]"
1 45 GLN 0.376 0.208 18 0 "[ . 1 . 2]"
1 50 LEU 1.044 0.198 20 0 "[ . 1 . 2]"
1 51 MET 0.128 0.041 14 0 "[ . 1 . 2]"
1 52 ARG 2.099 0.245 9 0 "[ . 1 . 2]"
1 53 SER 1.003 0.245 9 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ALA 0.181 0.089 15 0 "[ . 1 . 2]"
1 56 VAL 2.986 0.576 2 2 "[ + -. 1 . 2]"
1 57 ASN 1.009 0.164 10 0 "[ . 1 . 2]"
1 58 LYS 1.474 0.576 2 2 "[ + -. 1 . 2]"
1 59 ALA 0.205 0.071 20 0 "[ . 1 . 2]"
1 60 VAL 1.452 0.269 20 0 "[ . 1 . 2]"
1 61 LYS 0.491 0.213 12 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.057 0.057 17 0 "[ . 1 . 2]"
1 64 LEU 2.780 0.264 9 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ILE 3.044 0.355 15 0 "[ . 1 . 2]"
1 68 HIS 0.105 0.105 5 0 "[ . 1 . 2]"
1 69 ALA 0.586 0.355 15 0 "[ . 1 . 2]"
1 70 PHE 0.252 0.111 1 0 "[ . 1 . 2]"
1 71 SER 0.403 0.256 3 0 "[ . 1 . 2]"
1 72 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 0.424 0.256 3 0 "[ . 1 . 2]"
1 74 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 TYR 1.164 0.191 15 0 "[ . 1 . 2]"
1 76 THR 0.270 0.135 1 0 "[ . 1 . 2]"
1 77 GLU 4.385 0.375 5 0 "[ . 1 . 2]"
1 78 GLU 2.725 0.331 14 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 TRP 5.256 0.375 5 0 "[ . 1 . 2]"
1 81 SER 0.635 0.166 1 0 "[ . 1 . 2]"
1 82 LYS 0.137 0.074 6 0 "[ . 1 . 2]"
1 83 ILE 0.010 0.010 1 0 "[ . 1 . 2]"
1 84 VAL 1.084 0.323 12 0 "[ . 1 . 2]"
1 85 VAL 2.404 0.461 7 0 "[ . 1 . 2]"
1 86 LEU 2.665 0.461 7 0 "[ . 1 . 2]"
1 87 GLU 0.528 0.159 18 0 "[ . 1 . 2]"
1 88 HIS 0.403 0.173 12 0 "[ . 1 . 2]"
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 PRO HA 1 3 VAL H 4.000 . 5.000 2.699 2.233 3.558 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO HB3 1 3 VAL H 4.000 . 5.000 3.667 3.230 4.306 . 0 0 "[ . 1 . 2]" 1
3 1 2 PRO HB2 1 3 VAL H 4.000 . 5.000 3.351 2.210 3.679 . 0 0 "[ . 1 . 2]" 1
4 1 2 PRO QG 1 3 VAL H 4.000 . 5.000 3.917 1.817 4.652 . 0 0 "[ . 1 . 2]" 1
5 1 3 VAL H 1 3 VAL MG1 4.000 . 5.000 2.053 1.763 2.261 0.037 15 0 "[ . 1 . 2]" 1
6 1 3 VAL H 1 3 VAL MG2 4.000 . 5.000 3.772 2.423 3.950 . 0 0 "[ . 1 . 2]" 1
7 1 3 VAL H 1 4 THR MG 4.000 . 6.000 5.124 3.690 6.261 0.261 7 0 "[ . 1 . 2]" 1
8 1 3 VAL H 1 4 THR H 4.000 . 6.000 4.043 2.012 4.424 . 0 0 "[ . 1 . 2]" 1
9 1 2 PRO HD2 1 3 VAL H 4.000 . 6.000 4.598 2.745 5.680 . 0 0 "[ . 1 . 2]" 1
10 1 3 VAL H 1 4 THR HA 4.000 . 6.000 4.756 4.224 4.989 . 0 0 "[ . 1 . 2]" 1
11 1 3 VAL HB 1 4 THR H 4.000 . 5.000 4.096 3.873 4.514 . 0 0 "[ . 1 . 2]" 1
12 1 3 VAL HA 1 4 THR H 4.000 . 5.000 2.396 2.157 3.545 . 0 0 "[ . 1 . 2]" 1
13 1 3 VAL MG1 1 4 THR H 4.000 . 5.000 3.686 1.849 4.142 . 0 0 "[ . 1 . 2]" 1
14 1 3 VAL MG2 1 4 THR H 4.000 . 5.000 2.441 2.027 3.643 . 0 0 "[ . 1 . 2]" 1
15 1 4 THR H 1 4 THR HB 4.000 . 6.000 3.312 2.527 4.022 . 0 0 "[ . 1 . 2]" 1
16 1 4 THR H 1 4 THR HG1 4.000 . 5.000 3.037 1.990 4.191 . 0 0 "[ . 1 . 2]" 1
17 1 4 THR H 1 5 GLU H 4.000 . 6.000 4.404 3.555 4.616 . 0 0 "[ . 1 . 2]" 1
18 1 3 VAL MG2 1 5 GLU H 4.000 . 6.000 4.496 3.510 5.304 . 0 0 "[ . 1 . 2]" 1
19 1 4 THR HA 1 5 GLU H 4.000 . 5.000 2.228 2.154 2.359 . 0 0 "[ . 1 . 2]" 1
20 1 4 THR HB 1 5 GLU H 4.000 . 5.000 3.476 2.566 4.176 . 0 0 "[ . 1 . 2]" 1
21 1 4 THR MG 1 5 GLU H 4.000 . 5.000 3.252 2.256 4.049 . 0 0 "[ . 1 . 2]" 1
22 1 5 GLU H 1 5 GLU HB3 4.000 . 5.000 2.587 2.489 3.565 . 0 0 "[ . 1 . 2]" 1
23 1 5 GLU H 1 5 GLU HB2 4.000 . 5.000 2.506 2.356 2.557 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLU H 1 5 GLU HG3 4.000 . 5.000 4.368 3.218 4.451 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLU H 1 6 GLN H 4.000 . 6.000 2.719 2.642 2.796 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLU H 1 7 GLY H 4.000 . 6.000 4.128 4.060 4.175 . 0 0 "[ . 1 . 2]" 1
27 1 4 THR HA 1 6 GLN H 4.000 . 5.000 4.182 3.800 4.423 . 0 0 "[ . 1 . 2]" 1
28 1 4 THR HB 1 6 GLN H 4.000 . 5.000 3.591 2.893 4.840 . 0 0 "[ . 1 . 2]" 1
29 1 4 THR MG 1 6 GLN H 4.000 . 5.000 3.448 1.867 4.661 . 0 0 "[ . 1 . 2]" 1
30 1 4 THR H 1 6 GLN H 4.000 . 6.000 5.647 5.248 6.000 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLU HG3 1 6 GLN H 4.000 . 6.000 4.529 3.693 4.855 . 0 0 "[ . 1 . 2]" 1
32 1 6 GLN H 1 6 GLN QG 4.000 . 5.000 2.741 2.023 4.035 . 0 0 "[ . 1 . 2]" 1
33 1 6 GLN H 1 8 LEU HB2 4.000 . 6.000 5.470 4.985 5.664 . 0 0 "[ . 1 . 2]" 1
34 1 6 GLN H 1 7 GLY H 4.000 . 5.000 2.623 2.575 2.678 . 0 0 "[ . 1 . 2]" 1
35 1 6 GLN H 1 8 LEU H 4.000 . 6.000 3.936 3.711 4.114 . 0 0 "[ . 1 . 2]" 1
36 1 4 THR HA 1 7 GLY H 4.000 . 6.000 4.410 3.905 4.630 . 0 0 "[ . 1 . 2]" 1
37 1 4 THR HB 1 7 GLY H 4.000 . 6.000 2.753 1.968 3.936 . 0 0 "[ . 1 . 2]" 1
38 1 4 THR MG 1 7 GLY H 4.000 . 6.000 3.033 1.785 4.232 0.015 7 0 "[ . 1 . 2]" 1
39 1 6 GLN QB 1 7 GLY H 4.000 . 5.000 2.684 2.458 3.362 . 0 0 "[ . 1 . 2]" 1
40 1 6 GLN QG 1 7 GLY H 4.000 . 5.000 3.535 1.802 4.416 . 0 0 "[ . 1 . 2]" 1
41 1 7 GLY H 1 8 LEU HB3 4.000 . 6.000 4.892 4.676 6.069 0.069 2 0 "[ . 1 . 2]" 1
42 1 7 GLY H 1 8 LEU HB2 4.000 . 6.000 4.836 4.540 4.947 . 0 0 "[ . 1 . 2]" 1
43 1 7 GLY H 1 8 LEU H 4.000 . 5.000 2.560 2.411 2.646 . 0 0 "[ . 1 . 2]" 1
44 1 7 GLY H 1 8 LEU MD1 4.000 . 6.000 5.907 3.688 6.112 0.112 4 0 "[ . 1 . 2]" 1
45 1 4 THR HB 1 8 LEU H 4.000 . 6.000 4.183 2.928 5.474 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLU H 1 8 LEU H 4.000 . 6.000 4.571 4.305 4.985 . 0 0 "[ . 1 . 2]" 1
47 1 6 GLN QB 1 8 LEU H 4.000 . 5.000 4.637 4.399 5.016 0.016 11 0 "[ . 1 . 2]" 1
48 1 8 LEU H 1 8 LEU HB3 4.000 . 5.000 2.606 2.518 3.501 . 0 0 "[ . 1 . 2]" 1
49 1 8 LEU H 1 8 LEU HB2 4.000 . 5.000 2.491 2.192 2.541 . 0 0 "[ . 1 . 2]" 1
50 1 8 LEU H 1 8 LEU HG 4.000 . 5.000 4.411 3.902 4.563 . 0 0 "[ . 1 . 2]" 1
51 1 8 LEU H 1 8 LEU MD1 4.000 . 5.000 3.842 2.042 3.979 . 0 0 "[ . 1 . 2]" 1
52 1 8 LEU H 1 8 LEU MD2 4.000 . 5.000 4.228 3.759 4.294 . 0 0 "[ . 1 . 2]" 1
53 1 8 LEU H 1 9 ARG HA 4.000 . 6.000 5.313 5.287 5.357 . 0 0 "[ . 1 . 2]" 1
54 1 8 LEU H 1 9 ARG HB3 4.000 . 5.000 4.952 4.903 5.048 0.048 9 0 "[ . 1 . 2]" 1
55 1 8 LEU H 1 9 ARG HB2 4.000 . 5.000 5.042 4.994 5.104 0.104 3 0 "[ . 1 . 2]" 1
56 1 8 LEU H 1 9 ARG H 4.000 . 5.000 2.716 2.691 2.780 . 0 0 "[ . 1 . 2]" 1
57 1 6 GLN HA 1 9 ARG H 4.000 . 5.000 3.691 3.469 3.875 . 0 0 "[ . 1 . 2]" 1
58 1 6 GLN H 1 9 ARG H 4.000 . 6.000 5.053 4.835 5.323 . 0 0 "[ . 1 . 2]" 1
59 1 8 LEU HB3 1 9 ARG H 4.000 . 5.000 2.666 2.553 3.342 . 0 0 "[ . 1 . 2]" 1
60 1 8 LEU MD1 1 9 ARG H 4.000 . 6.000 4.324 4.042 4.471 . 0 0 "[ . 1 . 2]" 1
61 1 8 LEU MD2 1 9 ARG H 4.000 . 6.000 4.456 4.324 4.951 . 0 0 "[ . 1 . 2]" 1
62 1 8 LEU HB2 1 9 ARG H 4.000 . 5.000 3.842 2.839 3.945 . 0 0 "[ . 1 . 2]" 1
63 1 9 ARG H 1 9 ARG HB3 4.000 . 5.000 2.565 2.539 2.592 . 0 0 "[ . 1 . 2]" 1
64 1 9 ARG H 1 9 ARG QD 4.000 . 5.000 4.542 4.371 4.677 . 0 0 "[ . 1 . 2]" 1
65 1 9 ARG H 1 10 GLU HG3 4.000 . 6.000 5.008 4.484 6.408 0.408 9 0 "[ . 1 . 2]" 1
66 1 9 ARG H 1 12 ILE HB 4.000 . 5.000 5.060 4.791 5.175 0.175 15 0 "[ . 1 . 2]" 1
67 1 9 ARG H 1 12 ILE QG 4.000 . 5.000 4.612 4.480 5.253 0.253 2 0 "[ . 1 . 2]" 1
68 1 8 LEU MD1 1 10 GLU H 4.000 . 5.000 5.245 5.160 5.328 0.328 15 0 "[ . 1 . 2]" 1
69 1 9 ARG HA 1 10 GLU H 4.000 . 5.000 3.547 3.534 3.560 . 0 0 "[ . 1 . 2]" 1
70 1 9 ARG HG3 1 10 GLU H 4.000 . 5.000 4.699 4.653 4.911 . 0 0 "[ . 1 . 2]" 1
71 1 9 ARG HG2 1 10 GLU H 4.000 . 5.000 3.761 3.652 4.433 . 0 0 "[ . 1 . 2]" 1
72 1 9 ARG QD 1 10 GLU H 4.000 . 6.000 4.627 3.177 5.090 . 0 0 "[ . 1 . 2]" 1
73 1 10 GLU H 1 10 GLU HG3 4.000 . 5.000 2.732 2.276 4.040 . 0 0 "[ . 1 . 2]" 1
74 1 10 GLU H 1 11 ARG H 4.000 . 5.000 2.630 2.563 2.676 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLU H 1 13 GLU HB3 4.000 . 5.000 5.170 5.046 5.239 0.239 7 0 "[ . 1 . 2]" 1
76 1 10 GLU H 1 13 GLU H 4.000 . 6.000 4.657 4.602 4.715 . 0 0 "[ . 1 . 2]" 1
77 1 8 LEU HA 1 11 ARG H 4.000 . 5.000 3.317 3.176 3.400 . 0 0 "[ . 1 . 2]" 1
78 1 8 LEU HG 1 11 ARG H 4.000 . 5.000 5.099 4.977 5.390 0.390 2 0 "[ . 1 . 2]" 1
79 1 8 LEU MD1 1 11 ARG H 4.000 . 6.000 4.048 3.711 4.743 . 0 0 "[ . 1 . 2]" 1
80 1 11 ARG H 1 11 ARG HB3 4.000 . 5.000 2.944 2.487 3.578 . 0 0 "[ . 1 . 2]" 1
81 1 11 ARG H 1 11 ARG QD 4.000 . 5.000 4.089 3.580 4.672 . 0 0 "[ . 1 . 2]" 1
82 1 11 ARG H 1 12 ILE HA 4.000 . 5.000 5.217 5.184 5.271 0.271 9 0 "[ . 1 . 2]" 1
83 1 11 ARG H 1 12 ILE H 4.000 . 6.000 2.596 2.559 2.658 . 0 0 "[ . 1 . 2]" 1
84 1 11 ARG H 1 12 ILE QG 4.000 . 6.000 4.170 4.078 4.901 . 0 0 "[ . 1 . 2]" 1
85 1 11 ARG H 1 13 GLU HB3 4.000 . 5.000 5.131 5.072 5.187 0.187 7 0 "[ . 1 . 2]" 1
86 1 11 ARG H 1 14 SER H 4.000 . 6.000 4.671 4.571 4.745 . 0 0 "[ . 1 . 2]" 1
87 1 8 LEU MD1 1 12 ILE H 4.000 . 6.000 3.570 3.310 5.531 . 0 0 "[ . 1 . 2]" 1
88 1 9 ARG HA 1 12 ILE H 4.000 . 5.000 3.545 3.453 3.631 . 0 0 "[ . 1 . 2]" 1
89 1 10 GLU HA 1 12 ILE H 4.000 . 5.000 4.510 4.407 4.601 . 0 0 "[ . 1 . 2]" 1
90 1 11 ARG HB2 1 12 ILE H 4.000 . 5.000 3.343 2.572 3.884 . 0 0 "[ . 1 . 2]" 1
91 1 11 ARG QD 1 12 ILE H 4.000 . 5.000 4.634 4.429 4.904 . 0 0 "[ . 1 . 2]" 1
92 1 12 ILE H 1 12 ILE QG 4.000 . 5.000 2.255 2.158 3.330 . 0 0 "[ . 1 . 2]" 1
93 1 12 ILE H 1 12 ILE MG 4.000 . 5.000 3.726 3.660 3.745 . 0 0 "[ . 1 . 2]" 1
94 1 12 ILE H 1 13 GLU HB2 4.000 . 5.000 5.018 4.972 5.086 0.086 9 0 "[ . 1 . 2]" 1
95 1 12 ILE H 1 13 GLU H 4.000 . 5.000 2.636 2.608 2.665 . 0 0 "[ . 1 . 2]" 1
96 1 12 ILE H 1 14 SER H 4.000 . 6.000 4.060 4.007 4.126 . 0 0 "[ . 1 . 2]" 1
97 1 12 ILE H 1 15 ALA H 4.000 . 6.000 4.432 4.294 4.637 . 0 0 "[ . 1 . 2]" 1
98 1 12 ILE H 1 15 ALA MB 4.000 . 5.000 4.143 3.827 4.503 . 0 0 "[ . 1 . 2]" 1
99 1 86 LEU H 1 87 GLU H 4.000 . 5.000 2.653 1.739 4.170 0.061 17 0 "[ . 1 . 2]" 1
100 1 9 ARG HA 1 13 GLU H 4.000 . 6.000 3.918 3.704 4.094 . 0 0 "[ . 1 . 2]" 1
101 1 11 ARG H 1 13 GLU H 4.000 . 6.000 4.069 4.039 4.119 . 0 0 "[ . 1 . 2]" 1
102 1 12 ILE HA 1 13 GLU H 4.000 . 5.000 3.533 3.521 3.548 . 0 0 "[ . 1 . 2]" 1
103 1 12 ILE HB 1 13 GLU H 4.000 . 5.000 2.569 2.537 2.633 . 0 0 "[ . 1 . 2]" 1
104 1 12 ILE QG 1 13 GLU H 4.000 . 5.000 4.049 3.982 4.439 . 0 0 "[ . 1 . 2]" 1
105 1 13 GLU H 1 13 GLU HB3 4.000 . 5.000 2.527 2.495 2.556 . 0 0 "[ . 1 . 2]" 1
106 1 13 GLU H 1 13 GLU HG3 4.000 . 5.000 4.486 4.413 4.640 . 0 0 "[ . 1 . 2]" 1
107 1 13 GLU H 1 14 SER HA 4.000 . 6.000 5.295 5.264 5.328 . 0 0 "[ . 1 . 2]" 1
108 1 13 GLU H 1 14 SER H 4.000 . 5.000 2.664 2.621 2.697 . 0 0 "[ . 1 . 2]" 1
109 1 13 GLU H 1 15 ALA H 4.000 . 6.000 3.704 3.634 3.793 . 0 0 "[ . 1 . 2]" 1
110 1 12 ILE HA 1 14 SER H 4.000 . 5.000 4.351 4.267 4.429 . 0 0 "[ . 1 . 2]" 1
111 1 13 GLU HB3 1 14 SER H 4.000 . 5.000 2.603 2.546 2.644 . 0 0 "[ . 1 . 2]" 1
112 1 13 GLU HG3 1 14 SER H 4.000 . 6.000 4.762 4.640 4.889 . 0 0 "[ . 1 . 2]" 1
113 1 14 SER H 1 15 ALA H 4.000 . 5.000 2.389 2.301 2.474 . 0 0 "[ . 1 . 2]" 1
114 1 14 SER H 1 15 ALA MB 4.000 . 5.000 4.033 3.927 4.161 . 0 0 "[ . 1 . 2]" 1
115 1 12 ILE HA 1 15 ALA H 4.000 . 5.000 3.156 3.097 3.243 . 0 0 "[ . 1 . 2]" 1
116 1 12 ILE HB 1 15 ALA H 4.000 . 5.000 5.100 5.041 5.171 0.171 5 0 "[ . 1 . 2]" 1
117 1 12 ILE QG 1 15 ALA H 4.000 . 5.000 5.377 5.296 5.452 0.452 5 0 "[ . 1 . 2]" 1
118 1 12 ILE MD 1 15 ALA H 4.000 . 5.000 4.586 4.506 4.654 . 0 0 "[ . 1 . 2]" 1
119 1 13 GLU HB3 1 15 ALA H 4.000 . 6.000 4.664 4.588 4.730 . 0 0 "[ . 1 . 2]" 1
120 1 14 SER QB 1 15 ALA H 4.000 . 5.000 3.395 2.959 3.816 . 0 0 "[ . 1 . 2]" 1
121 1 15 ALA H 1 16 ILE H 4.000 . 5.000 2.264 2.212 2.333 . 0 0 "[ . 1 . 2]" 1
122 1 15 ALA H 1 16 ILE MD 4.000 . 6.000 5.662 3.247 6.101 0.101 9 0 "[ . 1 . 2]" 1
123 1 12 ILE HA 1 16 ILE H 4.000 . 6.000 4.326 4.065 4.612 . 0 0 "[ . 1 . 2]" 1
124 1 15 ALA HA 1 16 ILE H 4.000 . 5.000 3.336 3.285 3.393 . 0 0 "[ . 1 . 2]" 1
125 1 14 SER QB 1 16 ILE H 4.000 . 5.000 4.733 4.537 4.991 . 0 0 "[ . 1 . 2]" 1
126 1 16 ILE H 1 16 ILE HB 4.000 . 5.000 3.576 3.130 4.022 . 0 0 "[ . 1 . 2]" 1
127 1 16 ILE H 1 16 ILE HG13 4.000 . 5.000 4.304 3.049 4.737 . 0 0 "[ . 1 . 2]" 1
128 1 16 ILE H 1 16 ILE MD 4.000 . 5.000 4.442 1.885 4.822 . 0 0 "[ . 1 . 2]" 1
129 1 16 ILE H 1 16 ILE QG 4.000 . 5.000 3.611 2.344 4.176 . 0 0 "[ . 1 . 2]" 1
130 1 17 PRO HA 1 18 GLN H 4.000 . 5.000 2.281 2.179 3.105 . 0 0 "[ . 1 . 2]" 1
131 1 17 PRO HB3 1 18 GLN H 4.000 . 5.000 3.686 3.263 4.635 . 0 0 "[ . 1 . 2]" 1
132 1 17 PRO HB2 1 18 GLN H 4.000 . 5.000 3.544 3.011 4.366 . 0 0 "[ . 1 . 2]" 1
133 1 17 PRO QD 1 18 GLN H 4.000 . 6.000 4.877 3.359 5.020 . 0 0 "[ . 1 . 2]" 1
134 1 18 GLN H 1 19 VAL H 4.000 . 5.000 3.570 2.634 4.133 . 0 0 "[ . 1 . 2]" 1
135 1 18 GLN H 1 19 VAL QG 4.000 . 5.000 4.140 3.292 4.536 . 0 0 "[ . 1 . 2]" 1
136 1 16 ILE MD 1 19 VAL H 4.000 . 6.000 4.410 2.354 6.130 0.130 5 0 "[ . 1 . 2]" 1
137 1 17 PRO HA 1 19 VAL H 4.000 . 5.000 4.572 3.694 5.069 0.069 18 0 "[ . 1 . 2]" 1
138 1 18 GLN HA 1 19 VAL H 4.000 . 5.000 2.690 2.241 3.445 . 0 0 "[ . 1 . 2]" 1
139 1 18 GLN HB3 1 19 VAL H 4.000 . 5.000 4.365 4.068 4.587 . 0 0 "[ . 1 . 2]" 1
140 1 18 GLN HB2 1 19 VAL H 4.000 . 5.000 4.101 3.420 4.515 . 0 0 "[ . 1 . 2]" 1
141 1 19 VAL H 1 19 VAL MG2 4.000 . 5.000 2.527 1.833 3.745 . 0 0 "[ . 1 . 2]" 1
142 1 19 VAL H 1 20 TYR H 4.000 . 6.000 4.105 2.575 4.647 . 0 0 "[ . 1 . 2]" 1
143 1 19 VAL H 1 21 HIS H 4.000 . 6.000 5.146 3.928 6.135 0.135 3 0 "[ . 1 . 2]" 1
144 1 17 PRO HB2 1 19 VAL H 4.000 . 5.000 3.926 2.209 5.096 0.096 17 0 "[ . 1 . 2]" 1
145 1 16 ILE QG 1 20 TYR H 4.000 . 6.000 5.810 3.529 6.508 0.508 2 1 "[ + . 1 . 2]" 1
146 1 16 ILE MD 1 20 TYR H 4.000 . 6.000 5.327 4.180 5.903 . 0 0 "[ . 1 . 2]" 1
147 1 19 VAL HA 1 20 TYR H 4.000 . 5.000 2.781 2.142 3.475 . 0 0 "[ . 1 . 2]" 1
148 1 19 VAL HB 1 20 TYR H 4.000 . 5.000 2.541 1.715 4.129 0.085 3 0 "[ . 1 . 2]" 1
149 1 19 VAL QG 1 20 TYR H 4.000 . 5.000 2.661 1.798 3.615 0.002 2 0 "[ . 1 . 2]" 1
150 1 20 TYR H 1 20 TYR HB3 4.000 . 5.000 3.227 2.484 3.757 . 0 0 "[ . 1 . 2]" 1
151 1 20 TYR H 1 20 TYR HB2 4.000 . 5.000 2.553 2.292 3.318 . 0 0 "[ . 1 . 2]" 1
152 1 20 TYR H 1 21 HIS H 4.000 . 5.000 2.683 2.000 3.367 . 0 0 "[ . 1 . 2]" 1
153 1 19 VAL HA 1 21 HIS H 4.000 . 5.000 4.362 3.315 5.006 0.006 3 0 "[ . 1 . 2]" 1
154 1 20 TYR HA 1 21 HIS H 4.000 . 5.000 3.446 2.862 3.579 . 0 0 "[ . 1 . 2]" 1
155 1 20 TYR HB3 1 21 HIS H 4.000 . 5.000 3.329 2.404 4.402 . 0 0 "[ . 1 . 2]" 1
156 1 20 TYR HB2 1 21 HIS H 4.000 . 5.000 3.416 2.547 4.195 . 0 0 "[ . 1 . 2]" 1
157 1 21 HIS H 1 21 HIS HB3 4.000 . 5.000 3.111 2.526 3.922 . 0 0 "[ . 1 . 2]" 1
158 1 21 HIS H 1 22 ILE HA 4.000 . 6.000 4.918 4.608 5.689 . 0 0 "[ . 1 . 2]" 1
159 1 21 HIS H 1 22 ILE QG 4.000 . 6.000 5.246 3.623 6.268 0.268 17 0 "[ . 1 . 2]" 1
160 1 21 HIS H 1 22 ILE HB 4.000 . 6.000 5.319 4.254 6.121 0.121 4 0 "[ . 1 . 2]" 1
161 1 21 HIS HA 1 22 ILE H 4.000 . 5.000 2.299 2.157 3.330 . 0 0 "[ . 1 . 2]" 1
162 1 21 HIS HB3 1 22 ILE H 4.000 . 5.000 4.033 3.410 4.543 . 0 0 "[ . 1 . 2]" 1
163 1 21 HIS HB2 1 22 ILE H 4.000 . 5.000 4.302 4.080 4.537 . 0 0 "[ . 1 . 2]" 1
164 1 22 ILE H 1 22 ILE HB 4.000 . 5.000 3.143 2.490 3.861 . 0 0 "[ . 1 . 2]" 1
165 1 22 ILE H 1 22 ILE MG 4.000 . 5.000 2.749 1.920 3.859 . 0 0 "[ . 1 . 2]" 1
166 1 22 ILE H 1 22 ILE QG 4.000 . 5.000 3.290 2.189 4.122 . 0 0 "[ . 1 . 2]" 1
167 1 22 ILE H 1 23 ILE H 4.000 . 5.000 4.277 4.075 4.387 . 0 0 "[ . 1 . 2]" 1
168 1 22 ILE MG 1 23 ILE H 4.000 . 5.000 3.610 2.453 4.181 . 0 0 "[ . 1 . 2]" 1
169 1 22 ILE QG 1 23 ILE H 4.000 . 5.000 3.414 2.584 4.223 . 0 0 "[ . 1 . 2]" 1
170 1 23 ILE H 1 23 ILE HB 4.000 . 5.000 2.944 2.599 3.891 . 0 0 "[ . 1 . 2]" 1
171 1 23 ILE HA 1 24 VAL H 4.000 . 5.000 2.184 2.148 2.260 . 0 0 "[ . 1 . 2]" 1
172 1 24 VAL H 1 24 VAL HB 4.000 . 5.000 2.583 2.548 2.613 . 0 0 "[ . 1 . 2]" 1
173 1 24 VAL H 1 24 VAL MG2 4.000 . 5.000 2.770 2.633 2.844 . 0 0 "[ . 1 . 2]" 1
174 1 24 VAL H 1 25 THR H 4.000 . 6.000 4.327 4.247 4.388 . 0 0 "[ . 1 . 2]" 1
175 1 24 VAL H 1 38 VAL H 4.000 . 6.000 4.986 4.753 5.494 . 0 0 "[ . 1 . 2]" 1
176 1 24 VAL HA 1 25 THR H 4.000 . 5.000 2.149 2.136 2.169 . 0 0 "[ . 1 . 2]" 1
177 1 24 VAL MG1 1 25 THR H 4.000 . 5.000 2.634 2.314 2.905 . 0 0 "[ . 1 . 2]" 1
178 1 24 VAL MG2 1 25 THR H 4.000 . 5.000 4.030 3.941 4.110 . 0 0 "[ . 1 . 2]" 1
179 1 25 THR H 1 25 THR HB 4.000 . 5.000 2.687 2.647 2.728 . 0 0 "[ . 1 . 2]" 1
180 1 25 THR H 1 26 ASP H 4.000 . 6.000 4.347 4.302 4.416 . 0 0 "[ . 1 . 2]" 1
181 1 86 LEU H 1 88 HIS H 4.000 . 6.000 5.161 2.916 6.173 0.173 12 0 "[ . 1 . 2]" 1
182 1 25 THR HA 1 26 ASP H 4.000 . 5.000 2.173 2.143 2.200 . 0 0 "[ . 1 . 2]" 1
183 1 25 THR HB 1 26 ASP H 4.000 . 6.000 4.151 4.067 4.201 . 0 0 "[ . 1 . 2]" 1
184 1 25 THR MG 1 26 ASP H 4.000 . 5.000 2.416 2.054 2.628 . 0 0 "[ . 1 . 2]" 1
185 1 26 ASP H 1 26 ASP HB3 4.000 . 5.000 2.749 2.484 3.648 . 0 0 "[ . 1 . 2]" 1
186 1 26 ASP H 1 26 ASP HB2 4.000 . 5.000 2.961 2.364 3.668 . 0 0 "[ . 1 . 2]" 1
187 1 26 ASP HA 1 27 LEU H 4.000 . 5.000 2.164 2.146 2.202 . 0 0 "[ . 1 . 2]" 1
188 1 26 ASP HB3 1 27 LEU H 4.000 . 6.000 4.230 3.224 4.464 . 0 0 "[ . 1 . 2]" 1
189 1 26 ASP HB2 1 27 LEU H 4.000 . 6.000 4.186 3.466 4.463 . 0 0 "[ . 1 . 2]" 1
190 1 26 ASP H 1 27 LEU H 4.000 . 6.000 4.343 4.259 4.510 . 0 0 "[ . 1 . 2]" 1
191 1 27 LEU H 1 27 LEU HG 4.000 . 5.000 3.682 2.067 5.092 0.092 9 0 "[ . 1 . 2]" 1
192 1 27 LEU H 1 27 LEU QD 4.000 . 5.000 3.003 1.762 3.877 0.038 8 0 "[ . 1 . 2]" 1
193 1 27 LEU H 1 28 SER H 4.000 . 5.000 2.993 1.760 4.617 0.040 17 0 "[ . 1 . 2]" 1
194 1 27 LEU HA 1 28 SER H 4.000 . 6.000 3.188 2.149 3.570 . 0 0 "[ . 1 . 2]" 1
195 1 27 LEU HB2 1 28 SER H 4.000 . 6.000 3.412 2.580 4.359 . 0 0 "[ . 1 . 2]" 1
196 1 27 LEU QD 1 28 SER H 4.000 . 6.000 3.340 2.310 4.093 . 0 0 "[ . 1 . 2]" 1
197 1 34 SER HA 1 35 PHE H 4.000 . 6.000 2.274 2.141 2.637 . 0 0 "[ . 1 . 2]" 1
198 1 34 SER H 1 35 PHE H 4.000 . 6.000 4.135 2.433 4.635 . 0 0 "[ . 1 . 2]" 1
199 1 34 SER QB 1 35 PHE H 4.000 . 6.000 3.347 2.468 3.974 . 0 0 "[ . 1 . 2]" 1
200 1 35 PHE H 1 35 PHE HB3 4.000 . 5.000 3.452 2.677 3.849 . 0 0 "[ . 1 . 2]" 1
201 1 35 PHE H 1 35 PHE HB2 4.000 . 5.000 3.200 2.493 3.961 . 0 0 "[ . 1 . 2]" 1
202 1 35 PHE H 1 36 ASP H 4.000 . 6.000 4.191 3.589 4.437 . 0 0 "[ . 1 . 2]" 1
203 1 35 PHE HA 1 36 ASP H 4.000 . 5.000 2.336 2.112 3.357 . 0 0 "[ . 1 . 2]" 1
204 1 35 PHE HB3 1 36 ASP H 4.000 . 5.000 3.498 1.838 4.558 . 0 0 "[ . 1 . 2]" 1
205 1 36 ASP H 1 36 ASP HB3 4.000 . 5.000 2.809 2.500 3.225 . 0 0 "[ . 1 . 2]" 1
206 1 36 ASP HA 1 37 ILE H 4.000 . 5.000 2.236 2.136 2.570 . 0 0 "[ . 1 . 2]" 1
207 1 36 ASP HB2 1 37 ILE H 4.000 . 5.000 4.397 3.056 4.678 . 0 0 "[ . 1 . 2]" 1
208 1 36 ASP H 1 37 ILE H 4.000 . 5.000 3.920 2.742 4.405 . 0 0 "[ . 1 . 2]" 1
209 1 37 ILE H 1 37 ILE HB 4.000 . 5.000 3.713 2.820 3.837 . 0 0 "[ . 1 . 2]" 1
210 1 37 ILE H 1 37 ILE HG13 4.000 . 5.000 3.019 2.095 4.675 . 0 0 "[ . 1 . 2]" 1
211 1 37 ILE H 1 37 ILE HG12 4.000 . 5.000 2.357 2.003 4.050 . 0 0 "[ . 1 . 2]" 1
212 1 37 ILE H 1 37 ILE MD 4.000 . 5.000 3.860 3.656 4.253 . 0 0 "[ . 1 . 2]" 1
213 1 37 ILE HA 1 38 VAL H 4.000 . 5.000 2.245 2.133 2.308 . 0 0 "[ . 1 . 2]" 1
214 1 37 ILE HB 1 38 VAL H 4.000 . 5.000 2.900 2.634 3.998 . 0 0 "[ . 1 . 2]" 1
215 1 37 ILE H 1 38 VAL H 4.000 . 6.000 4.463 4.410 4.546 . 0 0 "[ . 1 . 2]" 1
216 1 37 ILE HG12 1 38 VAL H 4.000 . 5.000 4.728 2.995 4.987 . 0 0 "[ . 1 . 2]" 1
217 1 38 VAL H 1 38 VAL MG2 4.000 . 5.000 3.050 2.855 3.927 . 0 0 "[ . 1 . 2]" 1
218 1 38 VAL HA 1 39 VAL H 4.000 . 5.000 2.167 2.148 2.233 . 0 0 "[ . 1 . 2]" 1
219 1 38 VAL H 1 39 VAL H 4.000 . 5.000 4.342 4.288 4.382 . 0 0 "[ . 1 . 2]" 1
220 1 38 VAL MG2 1 39 VAL H 4.000 . 5.000 3.780 1.936 4.046 . 0 0 "[ . 1 . 2]" 1
221 1 39 VAL H 1 39 VAL HB 4.000 . 5.000 3.229 2.527 3.832 . 0 0 "[ . 1 . 2]" 1
222 1 39 VAL H 1 39 VAL QG 4.000 . 5.000 2.293 1.895 2.875 . 0 0 "[ . 1 . 2]" 1
223 1 39 VAL HA 1 40 VAL H 4.000 . 5.000 2.208 2.112 2.343 . 0 0 "[ . 1 . 2]" 1
224 1 39 VAL QG 1 40 VAL H 4.000 . 5.000 2.647 1.905 3.481 . 0 0 "[ . 1 . 2]" 1
225 1 40 VAL H 1 40 VAL HB 4.000 . 5.000 2.616 2.559 2.708 . 0 0 "[ . 1 . 2]" 1
226 1 40 VAL H 1 41 SER H 4.000 . 6.000 4.290 4.026 4.371 . 0 0 "[ . 1 . 2]" 1
227 1 21 HIS HB3 1 40 VAL H 4.000 . 6.000 3.456 1.932 4.494 . 0 0 "[ . 1 . 2]" 1
228 1 40 VAL HB 1 41 SER H 4.000 . 5.000 4.283 4.220 4.466 . 0 0 "[ . 1 . 2]" 1
229 1 40 VAL MG1 1 41 SER H 4.000 . 5.000 2.568 2.322 3.187 . 0 0 "[ . 1 . 2]" 1
230 1 41 SER H 1 43 PHE HB3 4.000 . 5.000 5.078 4.749 5.383 0.383 20 0 "[ . 1 . 2]" 1
231 1 41 SER H 1 44 PHE HB3 4.000 . 6.000 4.243 3.688 5.103 . 0 0 "[ . 1 . 2]" 1
232 1 39 VAL HA 1 41 SER H 4.000 . 6.000 5.961 5.538 6.101 0.101 12 0 "[ . 1 . 2]" 1
233 1 41 SER H 1 76 THR HB 4.000 . 5.000 4.457 3.171 5.135 0.135 1 0 "[ . 1 . 2]" 1
234 1 42 ASP HA 1 43 PHE H 4.000 . 5.000 3.349 3.294 3.418 . 0 0 "[ . 1 . 2]" 1
235 1 42 ASP HB3 1 43 PHE H 4.000 . 5.000 4.099 3.935 4.280 . 0 0 "[ . 1 . 2]" 1
236 1 43 PHE H 1 43 PHE HB3 4.000 . 5.000 2.681 2.264 3.497 . 0 0 "[ . 1 . 2]" 1
237 1 43 PHE H 1 43 PHE HB2 4.000 . 5.000 2.459 2.188 3.522 . 0 0 "[ . 1 . 2]" 1
238 1 43 PHE H 1 44 PHE H 4.000 . 5.000 2.667 2.607 2.710 . 0 0 "[ . 1 . 2]" 1
239 1 43 PHE H 1 45 GLN H 4.000 . 6.000 4.034 3.879 4.194 . 0 0 "[ . 1 . 2]" 1
240 1 41 SER QB 1 43 PHE H 4.000 . 5.000 2.633 2.056 2.928 . 0 0 "[ . 1 . 2]" 1
241 1 41 SER H 1 44 PHE H 4.000 . 6.000 4.106 3.699 4.393 . 0 0 "[ . 1 . 2]" 1
242 1 41 SER QB 1 44 PHE H 4.000 . 5.000 4.257 3.526 4.902 . 0 0 "[ . 1 . 2]" 1
243 1 42 ASP HA 1 44 PHE H 4.000 . 5.000 3.527 3.263 3.722 . 0 0 "[ . 1 . 2]" 1
244 1 43 PHE HA 1 44 PHE H 4.000 . 5.000 3.480 3.432 3.511 . 0 0 "[ . 1 . 2]" 1
245 1 43 PHE HB3 1 44 PHE H 4.000 . 5.000 2.993 2.717 3.878 . 0 0 "[ . 1 . 2]" 1
246 1 43 PHE HB2 1 44 PHE H 4.000 . 5.000 3.925 2.907 4.175 . 0 0 "[ . 1 . 2]" 1
247 1 44 PHE H 1 44 PHE HB2 4.000 . 5.000 2.765 2.530 3.561 . 0 0 "[ . 1 . 2]" 1
248 1 42 ASP HB3 1 44 PHE H 4.000 . 5.000 5.147 4.869 5.362 0.362 10 0 "[ . 1 . 2]" 1
249 1 44 PHE H 1 45 GLN H 4.000 . 5.000 2.494 2.355 2.736 . 0 0 "[ . 1 . 2]" 1
250 1 43 PHE HA 1 45 GLN H 4.000 . 5.000 3.609 3.432 3.757 . 0 0 "[ . 1 . 2]" 1
251 1 44 PHE HA 1 45 GLN H 4.000 . 5.000 3.242 3.063 3.300 . 0 0 "[ . 1 . 2]" 1
252 1 44 PHE HB3 1 45 GLN H 4.000 . 6.000 3.687 3.531 4.525 . 0 0 "[ . 1 . 2]" 1
253 1 44 PHE HB2 1 45 GLN H 4.000 . 5.000 4.361 3.789 4.566 . 0 0 "[ . 1 . 2]" 1
254 1 42 ASP HB3 1 45 GLN H 4.000 . 5.000 4.347 4.073 5.208 0.208 18 0 "[ . 1 . 2]" 1
255 1 45 GLN H 1 45 GLN QG 4.000 . 5.000 3.156 2.223 4.051 . 0 0 "[ . 1 . 2]" 1
256 1 50 LEU HG 1 51 MET H 4.000 . 5.000 4.502 2.240 5.041 0.041 14 0 "[ . 1 . 2]" 1
257 1 50 LEU QD 1 51 MET H 4.000 . 5.000 3.862 3.205 4.113 . 0 0 "[ . 1 . 2]" 1
258 1 50 LEU HA 1 51 MET H 4.000 . 5.000 3.543 3.525 3.571 . 0 0 "[ . 1 . 2]" 1
259 1 51 MET H 1 51 MET HB3 4.000 . 5.000 3.586 3.576 3.603 . 0 0 "[ . 1 . 2]" 1
260 1 51 MET H 1 51 MET HB2 4.000 . 5.000 2.423 2.389 2.487 . 0 0 "[ . 1 . 2]" 1
261 1 51 MET H 1 51 MET HG3 4.000 . 5.000 3.163 2.119 3.702 . 0 0 "[ . 1 . 2]" 1
262 1 51 MET H 1 51 MET HG2 4.000 . 5.000 2.672 2.211 3.544 . 0 0 "[ . 1 . 2]" 1
263 1 51 MET H 1 52 ARG H 4.000 . 5.000 2.644 2.601 2.700 . 0 0 "[ . 1 . 2]" 1
264 1 51 MET H 1 53 SER H 4.000 . 6.000 4.192 3.903 4.353 . 0 0 "[ . 1 . 2]" 1
265 1 51 MET H 1 54 ARG H 4.000 . 6.000 4.935 4.712 5.174 . 0 0 "[ . 1 . 2]" 1
266 1 50 LEU HB2 1 52 ARG H 4.000 . 5.000 5.042 4.959 5.198 0.198 20 0 "[ . 1 . 2]" 1
267 1 52 ARG H 1 52 ARG HB3 4.000 . 5.000 3.159 2.364 3.603 . 0 0 "[ . 1 . 2]" 1
268 1 52 ARG H 1 52 ARG HD3 4.000 . 5.000 4.513 3.579 4.918 . 0 0 "[ . 1 . 2]" 1
269 1 52 ARG H 1 53 SER H 4.000 . 5.000 2.680 2.503 2.746 . 0 0 "[ . 1 . 2]" 1
270 1 52 ARG H 1 54 ARG H 4.000 . 6.000 4.202 4.085 4.344 . 0 0 "[ . 1 . 2]" 1
271 1 50 LEU HA 1 53 SER H 4.000 . 5.000 3.519 3.408 3.644 . 0 0 "[ . 1 . 2]" 1
272 1 52 ARG HB3 1 53 SER H 4.000 . 5.000 3.278 2.482 3.925 . 0 0 "[ . 1 . 2]" 1
273 1 52 ARG HB2 1 53 SER H 4.000 . 5.000 3.131 2.499 4.033 . 0 0 "[ . 1 . 2]" 1
274 1 52 ARG HD3 1 53 SER H 4.000 . 6.000 5.482 4.633 6.245 0.245 9 0 "[ . 1 . 2]" 1
275 1 53 SER H 1 54 ARG H 4.000 . 5.000 2.698 2.643 2.757 . 0 0 "[ . 1 . 2]" 1
276 1 53 SER H 1 56 VAL H 4.000 . 5.000 4.747 4.602 4.870 . 0 0 "[ . 1 . 2]" 1
277 1 51 MET HA 1 54 ARG H 4.000 . 5.000 3.481 3.388 3.690 . 0 0 "[ . 1 . 2]" 1
278 1 51 MET HB3 1 54 ARG H 4.000 . 6.000 5.306 5.157 5.477 . 0 0 "[ . 1 . 2]" 1
279 1 53 SER HA 1 54 ARG H 4.000 . 5.000 3.549 3.531 3.561 . 0 0 "[ . 1 . 2]" 1
280 1 54 ARG H 1 54 ARG HB2 4.000 . 5.000 2.470 2.371 2.533 . 0 0 "[ . 1 . 2]" 1
281 1 54 ARG H 1 54 ARG HG2 4.000 . 5.000 3.950 2.210 4.638 . 0 0 "[ . 1 . 2]" 1
282 1 54 ARG H 1 54 ARG QD 4.000 . 5.000 4.211 3.518 4.689 . 0 0 "[ . 1 . 2]" 1
283 1 54 ARG H 1 55 ALA H 4.000 . 5.000 2.691 2.594 2.750 . 0 0 "[ . 1 . 2]" 1
284 1 52 ARG H 1 55 ALA H 4.000 . 5.000 4.856 4.676 5.089 0.089 15 0 "[ . 1 . 2]" 1
285 1 53 SER HA 1 55 ALA H 4.000 . 5.000 4.511 4.364 4.594 . 0 0 "[ . 1 . 2]" 1
286 1 53 SER H 1 55 ALA H 4.000 . 6.000 4.226 4.081 4.349 . 0 0 "[ . 1 . 2]" 1
287 1 55 ALA H 1 56 VAL HA 4.000 . 6.000 5.298 5.253 5.348 . 0 0 "[ . 1 . 2]" 1
288 1 55 ALA H 1 56 VAL HB 4.000 . 6.000 4.977 4.712 5.162 . 0 0 "[ . 1 . 2]" 1
289 1 54 ARG QD 1 55 ALA H 4.000 . 6.000 4.660 4.358 5.213 . 0 0 "[ . 1 . 2]" 1
290 1 53 SER HA 1 56 VAL H 4.000 . 5.000 3.530 3.432 3.640 . 0 0 "[ . 1 . 2]" 1
291 1 54 ARG H 1 56 VAL H 4.000 . 6.000 4.159 4.027 4.263 . 0 0 "[ . 1 . 2]" 1
292 1 55 ALA HA 1 56 VAL H 4.000 . 5.000 3.543 3.521 3.562 . 0 0 "[ . 1 . 2]" 1
293 1 55 ALA MB 1 56 VAL H 4.000 . 5.000 2.515 2.395 2.685 . 0 0 "[ . 1 . 2]" 1
294 1 56 VAL H 1 56 VAL HB 4.000 . 5.000 2.487 2.331 2.617 . 0 0 "[ . 1 . 2]" 1
295 1 56 VAL H 1 56 VAL MG1 4.000 . 5.000 2.425 1.884 3.736 . 0 0 "[ . 1 . 2]" 1
296 1 56 VAL H 1 57 ASN HB3 4.000 . 6.000 5.524 4.603 6.159 0.159 3 0 "[ . 1 . 2]" 1
297 1 56 VAL H 1 57 ASN HB2 4.000 . 6.000 4.764 4.554 5.127 . 0 0 "[ . 1 . 2]" 1
298 1 56 VAL H 1 57 ASN H 4.000 . 5.000 2.555 2.473 2.689 . 0 0 "[ . 1 . 2]" 1
299 1 56 VAL H 1 58 LYS H 4.000 . 6.000 4.123 3.815 4.331 . 0 0 "[ . 1 . 2]" 1
300 1 56 VAL H 1 58 LYS QG 4.000 . 6.000 5.369 4.246 6.576 0.576 2 2 "[ + -. 1 . 2]" 1
301 1 56 VAL H 1 59 ALA H 4.000 . 5.000 4.762 4.553 5.001 0.001 8 0 "[ . 1 . 2]" 1
302 1 54 ARG HA 1 57 ASN H 4.000 . 5.000 3.544 3.443 3.777 . 0 0 "[ . 1 . 2]" 1
303 1 54 ARG H 1 57 ASN H 4.000 . 6.000 4.536 4.409 4.742 . 0 0 "[ . 1 . 2]" 1
304 1 56 VAL HA 1 57 ASN H 4.000 . 6.000 3.535 3.507 3.553 . 0 0 "[ . 1 . 2]" 1
305 1 56 VAL HB 1 57 ASN H 4.000 . 5.000 3.570 2.573 3.945 . 0 0 "[ . 1 . 2]" 1
306 1 56 VAL MG1 1 57 ASN H 4.000 . 5.000 2.200 1.725 3.347 0.075 4 0 "[ . 1 . 2]" 1
307 1 56 VAL MG2 1 57 ASN H 4.000 . 5.000 3.715 3.431 3.941 . 0 0 "[ . 1 . 2]" 1
308 1 57 ASN H 1 57 ASN HB3 4.000 . 5.000 3.144 2.378 3.585 . 0 0 "[ . 1 . 2]" 1
309 1 57 ASN H 1 57 ASN HB2 4.000 . 5.000 2.457 2.367 2.693 . 0 0 "[ . 1 . 2]" 1
310 1 57 ASN H 1 58 LYS H 4.000 . 5.000 2.699 2.588 2.790 . 0 0 "[ . 1 . 2]" 1
311 1 57 ASN H 1 59 ALA H 4.000 . 5.000 4.132 3.960 4.210 . 0 0 "[ . 1 . 2]" 1
312 1 57 ASN H 1 60 VAL MG2 4.000 . 5.000 4.584 3.857 5.164 0.164 10 0 "[ . 1 . 2]" 1
313 1 57 ASN H 1 58 LYS QB 4.000 . 5.000 4.641 4.331 4.948 . 0 0 "[ . 1 . 2]" 1
314 1 55 ALA HA 1 58 LYS H 4.000 . 5.000 3.749 3.539 3.914 . 0 0 "[ . 1 . 2]" 1
315 1 56 VAL HA 1 58 LYS H 4.000 . 6.000 4.438 4.271 4.632 . 0 0 "[ . 1 . 2]" 1
316 1 56 VAL HB 1 58 LYS H 4.000 . 6.000 5.690 5.062 6.008 0.008 10 0 "[ . 1 . 2]" 1
317 1 56 VAL MG1 1 58 LYS H 4.000 . 6.000 4.309 3.860 4.948 . 0 0 "[ . 1 . 2]" 1
318 1 56 VAL MG2 1 58 LYS H 4.000 . 6.000 5.209 4.990 5.568 . 0 0 "[ . 1 . 2]" 1
319 1 57 ASN HB3 1 58 LYS H 4.000 . 5.000 3.136 2.447 3.573 . 0 0 "[ . 1 . 2]" 1
320 1 57 ASN HB2 1 58 LYS H 4.000 . 5.000 3.126 2.569 3.907 . 0 0 "[ . 1 . 2]" 1
321 1 58 LYS H 1 58 LYS HG2 4.000 . 5.000 3.043 2.099 4.398 . 0 0 "[ . 1 . 2]" 1
322 1 58 LYS H 1 59 ALA H 4.000 . 5.000 2.646 2.572 2.720 . 0 0 "[ . 1 . 2]" 1
323 1 58 LYS H 1 61 LYS H 4.000 . 6.000 5.143 4.634 5.575 . 0 0 "[ . 1 . 2]" 1
324 1 55 ALA HA 1 59 ALA H 4.000 . 6.000 4.317 3.843 4.785 . 0 0 "[ . 1 . 2]" 1
325 1 56 VAL HA 1 59 ALA H 4.000 . 5.000 3.462 3.342 3.606 . 0 0 "[ . 1 . 2]" 1
326 1 56 VAL MG1 1 59 ALA H 4.000 . 5.000 4.797 4.455 5.001 0.001 12 0 "[ . 1 . 2]" 1
327 1 56 VAL MG2 1 59 ALA H 4.000 . 5.000 4.674 4.363 5.071 0.071 20 0 "[ . 1 . 2]" 1
328 1 57 ASN HA 1 59 ALA H 4.000 . 5.000 4.428 4.174 4.572 . 0 0 "[ . 1 . 2]" 1
329 1 58 LYS QB 1 59 ALA H 4.000 . 5.000 2.695 2.486 3.512 . 0 0 "[ . 1 . 2]" 1
330 1 59 ALA H 1 60 VAL MG2 4.000 . 5.000 3.893 3.683 4.127 . 0 0 "[ . 1 . 2]" 1
331 1 59 ALA H 1 61 LYS H 4.000 . 5.000 4.369 3.860 4.667 . 0 0 "[ . 1 . 2]" 1
332 1 56 VAL HA 1 60 VAL H 4.000 . 6.000 4.175 3.655 4.726 . 0 0 "[ . 1 . 2]" 1
333 1 56 VAL MG2 1 60 VAL H 4.000 . 5.000 4.290 3.644 5.269 0.269 20 0 "[ . 1 . 2]" 1
334 1 57 ASN HA 1 60 VAL H 4.000 . 5.000 3.506 3.383 3.625 . 0 0 "[ . 1 . 2]" 1
335 1 59 ALA HA 1 60 VAL H 4.000 . 5.000 3.536 3.520 3.547 . 0 0 "[ . 1 . 2]" 1
336 1 58 LYS H 1 60 VAL H 4.000 . 6.000 4.133 4.033 4.247 . 0 0 "[ . 1 . 2]" 1
337 1 58 LYS QB 1 60 VAL H 4.000 . 5.000 4.750 4.620 5.117 0.117 10 0 "[ . 1 . 2]" 1
338 1 59 ALA MB 1 60 VAL H 4.000 . 5.000 2.604 2.499 2.706 . 0 0 "[ . 1 . 2]" 1
339 1 60 VAL H 1 60 VAL HB 4.000 . 5.000 3.513 3.006 3.813 . 0 0 "[ . 1 . 2]" 1
340 1 60 VAL H 1 60 VAL MG2 4.000 . 5.000 2.075 1.838 2.351 . 0 0 "[ . 1 . 2]" 1
341 1 60 VAL H 1 61 LYS H 4.000 . 5.000 2.852 2.448 3.048 . 0 0 "[ . 1 . 2]" 1
342 1 60 VAL HA 1 61 LYS H 4.000 . 5.000 2.744 2.583 3.060 . 0 0 "[ . 1 . 2]" 1
343 1 60 VAL MG2 1 61 LYS H 4.000 . 6.000 3.882 3.189 4.265 . 0 0 "[ . 1 . 2]" 1
344 1 61 LYS H 1 61 LYS HB3 4.000 . 5.000 2.633 2.431 3.587 . 0 0 "[ . 1 . 2]" 1
345 1 61 LYS H 1 61 LYS HB2 4.000 . 5.000 2.922 2.297 3.599 . 0 0 "[ . 1 . 2]" 1
346 1 61 LYS H 1 61 LYS QG 4.000 . 5.000 3.071 2.008 4.046 . 0 0 "[ . 1 . 2]" 1
347 1 61 LYS H 1 62 GLU H 4.000 . 6.000 2.660 2.517 2.753 . 0 0 "[ . 1 . 2]" 1
348 1 60 VAL HA 1 62 GLU H 4.000 . 6.000 3.450 3.206 3.696 . 0 0 "[ . 1 . 2]" 1
349 1 60 VAL H 1 62 GLU H 4.000 . 6.000 5.145 4.880 5.374 . 0 0 "[ . 1 . 2]" 1
350 1 61 LYS HA 1 62 GLU H 4.000 . 5.000 3.524 3.478 3.560 . 0 0 "[ . 1 . 2]" 1
351 1 61 LYS QG 1 62 GLU H 4.000 . 5.000 3.105 2.001 4.269 . 0 0 "[ . 1 . 2]" 1
352 1 62 GLU H 1 62 GLU QG 4.000 . 5.000 2.829 2.136 4.022 . 0 0 "[ . 1 . 2]" 1
353 1 62 GLU H 1 63 GLU H 4.000 . 5.000 2.669 2.581 2.832 . 0 0 "[ . 1 . 2]" 1
354 1 62 GLU H 1 64 LEU H 4.000 . 6.000 4.098 3.868 4.364 . 0 0 "[ . 1 . 2]" 1
355 1 60 VAL HA 1 63 GLU H 4.000 . 6.000 3.495 3.144 3.938 . 0 0 "[ . 1 . 2]" 1
356 1 60 VAL HB 1 63 GLU H 4.000 . 6.000 3.572 3.143 3.976 . 0 0 "[ . 1 . 2]" 1
357 1 63 GLU H 1 63 GLU QG 4.000 . 6.000 3.062 2.127 4.077 . 0 0 "[ . 1 . 2]" 1
358 1 60 VAL MG2 1 63 GLU H 4.000 . 6.000 4.666 4.168 5.015 . 0 0 "[ . 1 . 2]" 1
359 1 61 LYS QG 1 63 GLU H 4.000 . 6.000 4.885 4.235 5.626 . 0 0 "[ . 1 . 2]" 1
360 1 62 GLU QB 1 63 GLU H 4.000 . 5.000 2.630 2.410 3.482 . 0 0 "[ . 1 . 2]" 1
361 1 61 LYS HB3 1 63 GLU H 4.000 . 6.000 5.396 4.883 6.057 0.057 17 0 "[ . 1 . 2]" 1
362 1 63 GLU H 1 64 LEU H 4.000 . 5.000 2.625 2.518 2.749 . 0 0 "[ . 1 . 2]" 1
363 1 63 GLU QG 1 64 LEU H 4.000 . 5.000 3.708 2.133 4.510 . 0 0 "[ . 1 . 2]" 1
364 1 61 LYS H 1 64 LEU H 4.000 . 6.000 4.935 4.604 5.208 . 0 0 "[ . 1 . 2]" 1
365 1 61 LYS QG 1 64 LEU H 4.000 . 5.000 4.782 4.372 5.213 0.213 12 0 "[ . 1 . 2]" 1
366 1 63 GLU HA 1 64 LEU H 4.000 . 5.000 3.520 3.475 3.559 . 0 0 "[ . 1 . 2]" 1
367 1 63 GLU QB 1 64 LEU H 4.000 . 5.000 2.789 2.479 3.580 . 0 0 "[ . 1 . 2]" 1
368 1 61 LYS HB3 1 64 LEU H 4.000 . 6.000 5.508 5.103 5.757 . 0 0 "[ . 1 . 2]" 1
369 1 64 LEU H 1 64 LEU HB3 4.000 . 5.000 3.307 2.524 3.585 . 0 0 "[ . 1 . 2]" 1
370 1 64 LEU H 1 64 LEU MD1 4.000 . 5.000 3.412 1.875 4.256 . 0 0 "[ . 1 . 2]" 1
371 1 64 LEU H 1 64 LEU MD2 4.000 . 5.000 3.586 1.764 4.240 0.036 20 0 "[ . 1 . 2]" 1
372 1 64 LEU H 1 67 ILE H 4.000 . 6.000 4.579 4.429 4.820 . 0 0 "[ . 1 . 2]" 1
373 1 65 GLN HA 1 66 GLU H 4.000 . 6.000 3.539 3.525 3.555 . 0 0 "[ . 1 . 2]" 1
374 1 66 GLU H 1 66 GLU HG2 4.000 . 5.000 3.429 1.815 4.681 . 0 0 "[ . 1 . 2]" 1
375 1 66 GLU H 1 67 ILE H 4.000 . 6.000 2.426 2.297 2.500 . 0 0 "[ . 1 . 2]" 1
376 1 63 GLU HA 1 67 ILE H 4.000 . 5.000 4.198 3.964 4.678 . 0 0 "[ . 1 . 2]" 1
377 1 64 LEU HB3 1 67 ILE H 4.000 . 5.000 5.113 4.970 5.264 0.264 9 0 "[ . 1 . 2]" 1
378 1 66 GLU HA 1 67 ILE H 4.000 . 5.000 3.482 3.395 3.517 . 0 0 "[ . 1 . 2]" 1
379 1 66 GLU HG3 1 67 ILE H 4.000 . 6.000 4.359 2.422 5.393 . 0 0 "[ . 1 . 2]" 1
380 1 67 ILE H 1 67 ILE HB 4.000 . 5.000 2.798 2.378 3.756 . 0 0 "[ . 1 . 2]" 1
381 1 67 ILE H 1 67 ILE MD 4.000 . 5.000 3.813 3.397 4.593 . 0 0 "[ . 1 . 2]" 1
382 1 67 ILE H 1 67 ILE MG 4.000 . 5.000 3.322 1.977 3.831 . 0 0 "[ . 1 . 2]" 1
383 1 67 ILE HA 1 69 ALA H 4.000 . 6.000 3.991 3.418 5.676 . 0 0 "[ . 1 . 2]" 1
384 1 67 ILE HB 1 69 ALA H 4.000 . 6.000 4.655 3.026 6.126 0.126 17 0 "[ . 1 . 2]" 1
385 1 67 ILE MD 1 69 ALA H 4.000 . 6.000 4.933 3.184 6.355 0.355 15 0 "[ . 1 . 2]" 1
386 1 67 ILE MG 1 69 ALA H 4.000 . 5.000 3.080 1.801 4.865 . 0 0 "[ . 1 . 2]" 1
387 1 68 HIS HA 1 69 ALA H 4.000 . 5.000 3.331 2.149 3.571 . 0 0 "[ . 1 . 2]" 1
388 1 67 ILE MD 1 70 PHE H 4.000 . 6.000 5.452 3.531 6.111 0.111 1 0 "[ . 1 . 2]" 1
389 1 68 HIS QB 1 69 ALA H 4.000 . 5.000 2.996 1.695 4.024 0.105 5 0 "[ . 1 . 2]" 1
390 1 69 ALA HA 1 70 PHE H 4.000 . 5.000 2.414 2.138 3.503 . 0 0 "[ . 1 . 2]" 1
391 1 69 ALA H 1 70 PHE H 4.000 . 6.000 3.603 2.226 4.305 . 0 0 "[ . 1 . 2]" 1
392 1 69 ALA MB 1 70 PHE H 4.000 . 5.000 3.406 2.574 3.735 . 0 0 "[ . 1 . 2]" 1
393 1 70 PHE H 1 71 SER H 4.000 . 6.000 4.399 4.240 4.550 . 0 0 "[ . 1 . 2]" 1
394 1 70 PHE QB 1 71 SER H 4.000 . 5.000 2.765 2.494 3.747 . 0 0 "[ . 1 . 2]" 1
395 1 71 SER H 1 71 SER HB3 4.000 . 5.000 3.223 2.982 3.824 . 0 0 "[ . 1 . 2]" 1
396 1 71 SER HA 1 72 CYS H 4.000 . 5.000 2.262 2.216 2.278 . 0 0 "[ . 1 . 2]" 1
397 1 71 SER QB 1 72 CYS H 4.000 . 5.000 2.746 2.670 2.951 . 0 0 "[ . 1 . 2]" 1
398 1 72 CYS H 1 72 CYS HB3 4.000 . 6.000 3.261 2.828 3.854 . 0 0 "[ . 1 . 2]" 1
399 1 72 CYS H 1 72 CYS HB2 4.000 . 6.000 3.732 2.836 3.902 . 0 0 "[ . 1 . 2]" 1
400 1 38 VAL HA 1 73 LYS H 4.000 . 5.000 3.457 2.586 4.524 . 0 0 "[ . 1 . 2]" 1
401 1 71 SER H 1 73 LYS H 4.000 . 6.000 5.805 4.725 6.256 0.256 3 0 "[ . 1 . 2]" 1
402 1 72 CYS HA 1 73 LYS H 4.000 . 5.000 2.475 2.180 3.425 . 0 0 "[ . 1 . 2]" 1
403 1 72 CYS HB2 1 73 LYS H 4.000 . 5.000 4.256 3.855 4.501 . 0 0 "[ . 1 . 2]" 1
404 1 73 LYS H 1 73 LYS QE 4.000 . 6.000 4.237 3.327 6.021 0.021 8 0 "[ . 1 . 2]" 1
405 1 73 LYS H 1 73 LYS QG 4.000 . 5.000 2.417 2.019 3.949 . 0 0 "[ . 1 . 2]" 1
406 1 73 LYS H 1 74 CYS H 4.000 . 6.000 4.538 3.807 4.638 . 0 0 "[ . 1 . 2]" 1
407 1 73 LYS HA 1 74 CYS H 4.000 . 5.000 2.218 2.156 2.290 . 0 0 "[ . 1 . 2]" 1
408 1 73 LYS QB 1 74 CYS H 4.000 . 5.000 3.122 2.872 4.029 . 0 0 "[ . 1 . 2]" 1
409 1 73 LYS QG 1 74 CYS H 4.000 . 5.000 3.942 2.713 4.588 . 0 0 "[ . 1 . 2]" 1
410 1 74 CYS H 1 75 TYR HA 4.000 . 6.000 4.980 4.790 5.127 . 0 0 "[ . 1 . 2]" 1
411 1 74 CYS H 1 75 TYR H 4.000 . 5.000 4.345 4.209 4.449 . 0 0 "[ . 1 . 2]" 1
412 1 74 CYS HA 1 75 TYR H 4.000 . 5.000 2.170 2.139 2.260 . 0 0 "[ . 1 . 2]" 1
413 1 74 CYS QB 1 75 TYR H 4.000 . 5.000 3.391 2.763 3.811 . 0 0 "[ . 1 . 2]" 1
414 1 75 TYR H 1 75 TYR HB2 4.000 . 5.000 3.022 2.608 3.912 . 0 0 "[ . 1 . 2]" 1
415 1 75 TYR HA 1 76 THR H 4.000 . 5.000 2.282 2.192 2.396 . 0 0 "[ . 1 . 2]" 1
416 1 75 TYR HB3 1 76 THR H 4.000 . 5.000 3.104 2.534 3.872 . 0 0 "[ . 1 . 2]" 1
417 1 75 TYR HB2 1 76 THR H 4.000 . 5.000 3.575 2.469 4.063 . 0 0 "[ . 1 . 2]" 1
418 1 76 THR H 1 76 THR HB 4.000 . 5.000 3.134 2.656 3.930 . 0 0 "[ . 1 . 2]" 1
419 1 76 THR H 1 76 THR MG 4.000 . 5.000 3.609 2.042 4.054 . 0 0 "[ . 1 . 2]" 1
420 1 76 THR HB 1 77 GLU H 4.000 . 5.000 3.944 2.744 4.661 . 0 0 "[ . 1 . 2]" 1
421 1 76 THR MG 1 77 GLU H 4.000 . 5.000 3.796 1.846 4.372 . 0 0 "[ . 1 . 2]" 1
422 1 77 GLU H 1 77 GLU QG 4.000 . 5.000 3.638 2.689 4.461 . 0 0 "[ . 1 . 2]" 1
423 1 77 GLU H 1 78 GLU HA 4.000 . 6.000 5.092 4.444 5.446 . 0 0 "[ . 1 . 2]" 1
424 1 77 GLU H 1 78 GLU H 4.000 . 5.000 2.584 1.756 3.101 0.044 10 0 "[ . 1 . 2]" 1
425 1 77 GLU H 1 80 TRP HB3 4.000 . 5.000 5.156 4.947 5.375 0.375 5 0 "[ . 1 . 2]" 1
426 1 77 GLU H 1 80 TRP H 4.000 . 5.000 4.396 3.474 4.866 . 0 0 "[ . 1 . 2]" 1
427 1 75 TYR H 1 77 GLU H 4.000 . 6.000 5.954 5.455 6.191 0.191 15 0 "[ . 1 . 2]" 1
428 1 76 THR HB 1 78 GLU H 4.000 . 5.000 3.504 2.950 4.784 . 0 0 "[ . 1 . 2]" 1
429 1 76 THR H 1 78 GLU H 4.000 . 6.000 2.945 2.362 3.809 . 0 0 "[ . 1 . 2]" 1
430 1 76 THR MG 1 78 GLU H 4.000 . 5.000 3.599 1.896 4.525 . 0 0 "[ . 1 . 2]" 1
431 1 77 GLU HA 1 78 GLU H 4.000 . 5.000 3.424 3.258 3.552 . 0 0 "[ . 1 . 2]" 1
432 1 78 GLU H 1 78 GLU HB3 4.000 . 5.000 3.527 2.570 3.592 . 0 0 "[ . 1 . 2]" 1
433 1 78 GLU H 1 78 GLU HB2 4.000 . 5.000 2.410 2.328 2.463 . 0 0 "[ . 1 . 2]" 1
434 1 78 GLU H 1 79 GLU H 4.000 . 5.000 2.635 2.587 2.700 . 0 0 "[ . 1 . 2]" 1
435 1 78 GLU H 1 80 TRP HB3 4.000 . 6.000 5.258 5.013 6.201 0.201 6 0 "[ . 1 . 2]" 1
436 1 78 GLU H 1 80 TRP H 4.000 . 6.000 4.019 3.530 4.200 . 0 0 "[ . 1 . 2]" 1
437 1 78 GLU H 1 81 SER H 4.000 . 6.000 5.339 4.680 6.016 0.016 20 0 "[ . 1 . 2]" 1
438 1 78 GLU HB3 1 79 GLU H 4.000 . 5.000 3.569 2.423 3.722 . 0 0 "[ . 1 . 2]" 1
439 1 79 GLU H 1 79 GLU QG 4.000 . 5.000 2.352 2.063 3.131 . 0 0 "[ . 1 . 2]" 1
440 1 79 GLU H 1 80 TRP QB 4.000 . 6.000 4.455 4.332 4.720 . 0 0 "[ . 1 . 2]" 1
441 1 77 GLU HA 1 80 TRP H 4.000 . 5.000 3.520 3.027 4.014 . 0 0 "[ . 1 . 2]" 1
442 1 78 GLU HB3 1 80 TRP H 4.000 . 5.000 5.034 4.328 5.331 0.331 14 0 "[ . 1 . 2]" 1
443 1 79 GLU HA 1 80 TRP H 4.000 . 5.000 3.435 3.038 3.522 . 0 0 "[ . 1 . 2]" 1
444 1 79 GLU H 1 80 TRP H 4.000 . 5.000 2.637 1.990 2.842 . 0 0 "[ . 1 . 2]" 1
445 1 79 GLU QB 1 80 TRP H 4.000 . 5.000 3.301 2.596 3.741 . 0 0 "[ . 1 . 2]" 1
446 1 79 GLU QG 1 80 TRP H 4.000 . 5.000 3.184 2.037 4.433 . 0 0 "[ . 1 . 2]" 1
447 1 80 TRP H 1 80 TRP HB2 4.000 . 5.000 3.225 2.574 4.003 . 0 0 "[ . 1 . 2]" 1
448 1 80 TRP H 1 81 SER H 4.000 . 5.000 2.599 2.144 2.832 . 0 0 "[ . 1 . 2]" 1
449 1 78 GLU HB3 1 81 SER H 4.000 . 5.000 4.844 4.383 5.166 0.166 1 0 "[ . 1 . 2]" 1
450 1 79 GLU H 1 81 SER H 4.000 . 6.000 4.147 2.992 4.654 . 0 0 "[ . 1 . 2]" 1
451 1 80 TRP QB 1 81 SER H 4.000 . 5.000 3.403 2.537 3.956 . 0 0 "[ . 1 . 2]" 1
452 1 79 GLU QB 1 81 SER H 4.000 . 6.000 4.561 2.707 5.287 . 0 0 "[ . 1 . 2]" 1
453 1 81 SER H 1 82 LYS H 4.000 . 5.000 3.777 2.616 4.663 . 0 0 "[ . 1 . 2]" 1
454 1 81 SER HA 1 82 LYS H 4.000 . 5.000 2.965 2.259 3.562 . 0 0 "[ . 1 . 2]" 1
455 1 81 SER QB 1 82 LYS H 4.000 . 5.000 2.785 1.766 4.035 0.034 20 0 "[ . 1 . 2]" 1
456 1 82 LYS H 1 82 LYS QD 4.000 . 5.000 4.156 3.595 4.986 . 0 0 "[ . 1 . 2]" 1
457 1 82 LYS H 1 82 LYS QE 4.000 . 6.000 5.053 3.661 6.074 0.074 6 0 "[ . 1 . 2]" 1
458 1 82 LYS H 1 82 LYS HB2 4.000 . 5.000 2.790 2.377 3.588 . 0 0 "[ . 1 . 2]" 1
459 1 82 LYS H 1 83 ILE H 4.000 . 5.000 3.300 2.362 4.653 . 0 0 "[ . 1 . 2]" 1
460 1 82 LYS HA 1 83 ILE H 4.000 . 5.000 3.073 2.181 3.559 . 0 0 "[ . 1 . 2]" 1
461 1 82 LYS HB2 1 83 ILE H 4.000 . 5.000 3.652 2.218 4.508 . 0 0 "[ . 1 . 2]" 1
462 1 83 ILE H 1 83 ILE MD 4.000 . 5.000 3.772 2.624 4.680 . 0 0 "[ . 1 . 2]" 1
463 1 83 ILE H 1 83 ILE QG 4.000 . 5.000 2.616 1.923 4.367 . 0 0 "[ . 1 . 2]" 1
464 1 83 ILE H 1 84 VAL H 4.000 . 5.000 3.652 1.875 4.597 . 0 0 "[ . 1 . 2]" 1
465 1 83 ILE HA 1 84 VAL H 4.000 . 5.000 2.869 2.137 3.558 . 0 0 "[ . 1 . 2]" 1
466 1 83 ILE QG 1 84 VAL H 4.000 . 5.000 3.859 1.790 4.811 0.010 1 0 "[ . 1 . 2]" 1
467 1 84 VAL H 1 84 VAL HB 4.000 . 5.000 3.070 2.395 3.995 . 0 0 "[ . 1 . 2]" 1
468 1 84 VAL H 1 84 VAL QG 4.000 . 5.000 2.269 1.824 2.721 . 0 0 "[ . 1 . 2]" 1
469 1 84 VAL H 1 85 VAL QG 4.000 . 5.000 4.282 3.255 5.323 0.323 12 0 "[ . 1 . 2]" 1
470 1 84 VAL HA 1 85 VAL H 4.000 . 5.000 2.734 2.121 3.551 . 0 0 "[ . 1 . 2]" 1
471 1 84 VAL HB 1 85 VAL H 4.000 . 5.000 3.694 2.498 4.483 . 0 0 "[ . 1 . 2]" 1
472 1 84 VAL H 1 85 VAL H 4.000 . 5.000 3.476 2.326 4.472 . 0 0 "[ . 1 . 2]" 1
473 1 85 VAL H 1 85 VAL HB 4.000 . 5.000 2.872 2.357 3.813 . 0 0 "[ . 1 . 2]" 1
474 1 85 VAL H 1 85 VAL QG 4.000 . 5.000 2.436 1.786 3.321 0.014 8 0 "[ . 1 . 2]" 1
475 1 85 VAL H 1 86 LEU H 4.000 . 5.000 3.171 1.587 4.393 0.213 17 0 "[ . 1 . 2]" 1
476 1 85 VAL H 1 86 LEU HB3 4.000 . 6.000 5.530 4.171 6.461 0.461 7 0 "[ . 1 . 2]" 1
477 1 84 VAL HA 1 86 LEU H 4.000 . 6.000 4.516 3.001 6.257 0.257 14 0 "[ . 1 . 2]" 1
478 1 85 VAL HA 1 86 LEU H 4.000 . 5.000 2.915 2.145 3.551 . 0 0 "[ . 1 . 2]" 1
479 1 85 VAL HB 1 86 LEU H 4.000 . 5.000 3.934 2.564 4.665 . 0 0 "[ . 1 . 2]" 1
480 1 86 LEU H 1 86 LEU HB3 4.000 . 5.000 3.238 2.355 4.116 . 0 0 "[ . 1 . 2]" 1
481 1 86 LEU H 1 86 LEU HB2 4.000 . 5.000 3.048 2.275 4.136 . 0 0 "[ . 1 . 2]" 1
482 1 86 LEU H 1 86 LEU QD 4.000 . 5.000 3.195 1.848 4.029 . 0 0 "[ . 1 . 2]" 1
483 1 84 VAL HA 1 87 GLU H 4.000 . 6.000 4.906 3.222 6.121 0.121 3 0 "[ . 1 . 2]" 1
484 1 85 VAL HA 1 87 GLU H 4.000 . 5.000 4.072 3.420 5.159 0.159 18 0 "[ . 1 . 2]" 1
485 1 85 VAL H 1 87 GLU H 4.000 . 6.000 4.263 2.334 6.100 0.100 18 0 "[ . 1 . 2]" 1
486 1 85 VAL QG 1 87 GLU H 4.000 . 5.000 3.807 1.834 4.694 . 0 0 "[ . 1 . 2]" 1
487 1 86 LEU HB3 1 87 GLU H 4.000 . 5.000 3.722 2.509 4.652 . 0 0 "[ . 1 . 2]" 1
488 1 86 LEU HB2 1 87 GLU H 4.000 . 5.000 3.897 2.682 4.565 . 0 0 "[ . 1 . 2]" 1
489 1 87 GLU H 1 87 GLU HG2 4.000 . 5.000 3.783 2.008 4.847 . 0 0 "[ . 1 . 2]" 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 458
_Distance_constraint_stats_list.Viol_count 877
_Distance_constraint_stats_list.Viol_total 1813.466
_Distance_constraint_stats_list.Viol_max 0.564
_Distance_constraint_stats_list.Viol_rms 0.0418
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0099
_Distance_constraint_stats_list.Viol_average_violations_only 0.1034
_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 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 6.678 0.297 1 0 "[ . 1 . 2]"
1 4 THR 0.323 0.102 6 0 "[ . 1 . 2]"
1 5 GLU 4.392 0.309 13 0 "[ . 1 . 2]"
1 6 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 10.540 0.317 9 0 "[ . 1 . 2]"
1 9 ARG 0.067 0.052 13 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 1.165 0.204 3 0 "[ . 1 . 2]"
1 12 ILE 9.721 0.406 19 0 "[ . 1 . 2]"
1 13 GLU 2.464 0.229 15 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.216 0.056 17 0 "[ . 1 . 2]"
1 16 ILE 3.173 0.174 4 0 "[ . 1 . 2]"
1 17 PRO 2.630 0.309 18 0 "[ . 1 . 2]"
1 18 GLN 2.440 0.229 15 0 "[ . 1 . 2]"
1 19 VAL 3.860 0.309 18 0 "[ . 1 . 2]"
1 20 TYR 0.643 0.145 5 0 "[ . 1 . 2]"
1 21 HIS 2.809 0.309 2 0 "[ . 1 . 2]"
1 22 ILE 5.300 0.406 19 0 "[ . 1 . 2]"
1 23 ILE 0.971 0.196 15 0 "[ . 1 . 2]"
1 24 VAL 2.272 0.337 13 0 "[ . 1 . 2]"
1 25 THR 0.469 0.070 15 0 "[ . 1 . 2]"
1 26 ASP 0.057 0.056 20 0 "[ . 1 . 2]"
1 27 LEU 2.198 0.324 18 0 "[ . 1 . 2]"
1 28 SER 0.857 0.226 18 0 "[ . 1 . 2]"
1 29 TYR 0.074 0.074 17 0 "[ . 1 . 2]"
1 30 GLY 0.074 0.074 17 0 "[ . 1 . 2]"
1 31 CYS 1.151 0.169 9 0 "[ . 1 . 2]"
1 32 GLY 0.438 0.093 18 0 "[ . 1 . 2]"
1 33 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 SER 3.419 0.226 18 0 "[ . 1 . 2]"
1 35 PHE 3.801 0.564 6 1 "[ .+ 1 . 2]"
1 36 ASP 2.051 0.324 18 0 "[ . 1 . 2]"
1 37 ILE 10.902 0.447 19 0 "[ . 1 . 2]"
1 38 VAL 7.760 0.425 17 0 "[ . 1 . 2]"
1 39 VAL 1.341 0.300 3 0 "[ . 1 . 2]"
1 40 VAL 3.815 0.309 2 0 "[ . 1 . 2]"
1 41 SER 1.942 0.213 9 0 "[ . 1 . 2]"
1 42 ASP 0.565 0.211 17 0 "[ . 1 . 2]"
1 43 PHE 4.205 0.267 5 0 "[ . 1 . 2]"
1 44 PHE 3.324 0.370 19 0 "[ . 1 . 2]"
1 45 GLN 0.927 0.211 17 0 "[ . 1 . 2]"
1 46 GLY 0.149 0.044 18 0 "[ . 1 . 2]"
1 47 LYS 2.221 0.235 13 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.933 0.298 7 0 "[ . 1 . 2]"
1 50 LEU 1.534 0.446 5 0 "[ . 1 . 2]"
1 51 MET 2.712 0.446 5 0 "[ . 1 . 2]"
1 52 ARG 5.848 0.370 19 0 "[ . 1 . 2]"
1 53 SER 0.779 0.166 17 0 "[ . 1 . 2]"
1 54 ARG 1.426 0.311 6 0 "[ . 1 . 2]"
1 55 ALA 1.993 0.267 5 0 "[ . 1 . 2]"
1 56 VAL 1.414 0.208 6 0 "[ . 1 . 2]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 1.617 0.311 6 0 "[ . 1 . 2]"
1 59 ALA 0.037 0.037 17 0 "[ . 1 . 2]"
1 60 VAL 2.342 0.212 17 0 "[ . 1 . 2]"
1 61 LYS 0.652 0.147 20 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.683 0.212 19 0 "[ . 1 . 2]"
1 64 LEU 1.291 0.236 2 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 2.517 0.501 16 1 "[ . 1 .+ 2]"
1 67 ILE 5.070 0.501 16 1 "[ . 1 .+ 2]"
1 68 HIS 0.165 0.114 6 0 "[ . 1 . 2]"
1 69 ALA 1.195 0.220 9 0 "[ . 1 . 2]"
1 70 PHE 2.305 0.564 6 1 "[ .+ 1 . 2]"
1 71 SER 4.787 0.314 6 0 "[ . 1 . 2]"
1 72 CYS 2.821 0.447 19 0 "[ . 1 . 2]"
1 73 LYS 2.768 0.248 6 0 "[ . 1 . 2]"
1 74 CYS 1.225 0.298 7 0 "[ . 1 . 2]"
1 75 TYR 1.475 0.190 19 0 "[ . 1 . 2]"
1 76 THR 1.294 0.209 6 0 "[ . 1 . 2]"
1 77 GLU 0.847 0.145 2 0 "[ . 1 . 2]"
1 78 GLU 5.020 0.425 5 0 "[ . 1 . 2]"
1 79 GLU 0.732 0.209 6 0 "[ . 1 . 2]"
1 80 TRP 1.333 0.357 7 0 "[ . 1 . 2]"
1 81 SER 4.457 0.425 5 0 "[ . 1 . 2]"
1 82 LYS 3.102 0.323 17 0 "[ . 1 . 2]"
1 83 ILE 3.398 0.357 7 0 "[ . 1 . 2]"
1 84 VAL 1.316 0.312 16 0 "[ . 1 . 2]"
1 85 VAL 0.664 0.101 7 0 "[ . 1 . 2]"
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 21 HIS H 1 40 VAL HB 4.000 . 5.000 3.904 2.694 4.968 . 0 0 "[ . 1 . 2]" 2
2 1 21 HIS H 1 40 VAL H 4.000 . 5.000 3.432 2.764 4.232 . 0 0 "[ . 1 . 2]" 2
3 1 23 ILE H 1 38 VAL HA 4.000 . 5.000 4.892 4.537 5.195 0.195 13 0 "[ . 1 . 2]" 2
4 1 23 ILE H 1 38 VAL H 4.000 . 5.000 3.054 2.432 3.654 . 0 0 "[ . 1 . 2]" 2
5 1 23 ILE H 1 39 VAL HA 4.000 . 6.000 3.653 2.832 4.156 . 0 0 "[ . 1 . 2]" 2
6 1 23 ILE H 1 37 ILE HA 4.000 . 6.000 4.718 4.137 5.519 . 0 0 "[ . 1 . 2]" 2
7 1 24 VAL H 1 37 ILE HA 4.000 . 5.000 4.839 4.526 5.092 0.092 17 0 "[ . 1 . 2]" 2
8 1 25 THR H 1 36 ASP H 4.000 . 5.000 3.672 3.244 4.281 . 0 0 "[ . 1 . 2]" 2
9 1 25 THR HA 1 36 ASP H 4.000 . 6.000 5.286 4.822 5.795 . 0 0 "[ . 1 . 2]" 2
10 1 27 LEU H 1 35 PHE HA 4.000 . 5.000 3.384 1.732 5.019 0.068 10 0 "[ . 1 . 2]" 2
11 1 27 LEU H 1 36 ASP H 4.000 . 6.000 3.564 2.179 4.726 . 0 0 "[ . 1 . 2]" 2
12 1 26 ASP HA 1 35 PHE H 4.000 . 6.000 5.124 3.594 6.056 0.056 20 0 "[ . 1 . 2]" 2
13 1 35 PHE H 1 69 ALA H 4.000 . 6.000 5.617 4.437 6.099 0.099 13 0 "[ . 1 . 2]" 2
14 1 24 VAL HA 1 37 ILE H 4.000 . 6.000 4.811 4.281 5.349 . 0 0 "[ . 1 . 2]" 2
15 1 37 ILE H 1 71 SER H 4.000 . 4.500 3.769 3.140 4.659 0.159 6 0 "[ . 1 . 2]" 2
16 1 24 VAL HA 1 38 VAL H 4.000 . 5.000 3.829 3.469 4.607 . 0 0 "[ . 1 . 2]" 2
17 1 34 SER HA 1 69 ALA H 4.000 . 6.000 4.806 3.421 5.832 . 0 0 "[ . 1 . 2]" 2
18 1 35 PHE H 1 71 SER H 4.000 . 5.000 4.289 3.405 5.200 0.200 6 0 "[ . 1 . 2]" 2
19 1 36 ASP HA 1 71 SER H 4.000 . 5.000 3.278 2.124 4.890 . 0 0 "[ . 1 . 2]" 2
20 1 36 ASP HA 1 73 LYS H 4.000 . 6.000 5.259 4.524 5.996 . 0 0 "[ . 1 . 2]" 2
21 1 35 PHE H 1 70 PHE H 4.000 . 6.000 5.062 2.972 5.920 . 0 0 "[ . 1 . 2]" 2
22 1 25 THR H 1 37 ILE HA 4.000 . 5.000 2.833 2.233 3.721 . 0 0 "[ . 1 . 2]" 2
23 1 3 VAL H 1 32 GLY H 4.000 . 6.000 5.542 3.958 6.093 0.093 18 0 "[ . 1 . 2]" 2
24 1 21 HIS H 1 39 VAL MG2 4.000 . 6.000 5.015 3.271 6.221 0.221 5 0 "[ . 1 . 2]" 2
25 1 4 THR H 1 8 LEU MD1 4.000 . 6.000 5.148 3.348 6.052 0.052 3 0 "[ . 1 . 2]" 2
26 1 3 VAL MG2 1 7 GLY H 4.000 . 6.000 5.040 4.312 5.555 . 0 0 "[ . 1 . 2]" 2
27 1 3 VAL MG2 1 8 LEU H 4.000 . 5.000 3.816 3.202 4.304 . 0 0 "[ . 1 . 2]" 2
28 1 27 LEU H 1 35 PHE HB3 4.000 . 6.000 5.006 2.791 6.052 0.052 11 0 "[ . 1 . 2]" 2
29 1 27 LEU H 1 34 SER QB 4.000 . 6.000 3.897 1.682 6.041 0.118 19 0 "[ . 1 . 2]" 2
30 1 35 PHE H 1 69 ALA MB 4.000 . 5.000 4.108 2.944 5.012 0.012 18 0 "[ . 1 . 2]" 2
31 1 26 ASP HA 1 36 ASP H 4.000 . 6.000 3.539 2.768 4.338 . 0 0 "[ . 1 . 2]" 2
32 1 37 ILE H 1 71 SER QB 4.000 . 6.000 4.179 2.900 5.242 . 0 0 "[ . 1 . 2]" 2
33 1 37 ILE H 1 72 CYS HA 4.000 . 5.000 3.379 2.142 4.028 . 0 0 "[ . 1 . 2]" 2
34 1 37 ILE H 1 72 CYS HB3 4.000 . 6.000 5.123 3.459 5.975 . 0 0 "[ . 1 . 2]" 2
35 1 23 ILE HA 1 38 VAL H 4.000 . 6.000 4.701 4.445 5.019 . 0 0 "[ . 1 . 2]" 2
36 1 23 ILE HB 1 38 VAL H 4.000 . 5.000 3.429 2.172 4.632 . 0 0 "[ . 1 . 2]" 2
37 1 22 ILE QG 1 40 VAL H 4.000 . 6.000 5.255 3.892 6.246 0.246 2 0 "[ . 1 . 2]" 2
38 1 19 VAL MG2 1 40 VAL H 4.000 . 6.000 4.104 2.697 6.132 0.132 4 0 "[ . 1 . 2]" 2
39 1 41 SER H 1 76 THR MG 4.000 . 6.000 3.571 1.862 5.227 . 0 0 "[ . 1 . 2]" 2
40 1 43 PHE H 1 76 THR MG 4.000 . 6.000 4.622 3.799 5.998 . 0 0 "[ . 1 . 2]" 2
41 1 44 PHE H 1 76 THR MG 4.000 . 5.000 3.681 2.434 4.665 . 0 0 "[ . 1 . 2]" 2
42 1 60 VAL HB 1 64 LEU H 4.000 . 5.000 4.173 3.733 4.554 . 0 0 "[ . 1 . 2]" 2
43 1 36 ASP QB 1 71 SER H 4.000 . 6.000 4.614 3.142 5.516 . 0 0 "[ . 1 . 2]" 2
44 1 37 ILE HG12 1 72 CYS H 4.000 . 6.000 4.860 3.928 6.447 0.447 19 0 "[ . 1 . 2]" 2
45 1 37 ILE QG 1 73 LYS H 4.000 . 5.000 3.606 2.681 4.912 . 0 0 "[ . 1 . 2]" 2
46 1 44 PHE HB3 1 76 THR H 4.000 . 6.000 4.504 3.432 5.791 . 0 0 "[ . 1 . 2]" 2
47 1 76 THR H 1 80 TRP H 4.000 . 6.000 5.266 4.242 5.823 . 0 0 "[ . 1 . 2]" 2
48 1 40 VAL MG1 1 77 GLU H 4.000 . 5.000 4.419 3.668 5.145 0.145 2 0 "[ . 1 . 2]" 2
49 1 37 ILE MD 1 72 CYS H 4.000 . 6.000 5.006 3.965 5.564 . 0 0 "[ . 1 . 2]" 2
50 1 21 HIS H 1 40 VAL MG1 4.000 . 5.000 4.709 3.917 5.274 0.274 2 0 "[ . 1 . 2]" 2
51 1 5 GLU HG3 1 25 THR H 4.000 . 6.000 5.079 4.212 6.040 0.040 3 0 "[ . 1 . 2]" 2
52 1 25 THR H 1 37 ILE HB 4.000 . 6.000 4.356 3.281 5.567 . 0 0 "[ . 1 . 2]" 2
53 1 21 HIS H 1 40 VAL HA 4.000 . 6.000 5.575 4.955 6.309 0.309 2 0 "[ . 1 . 2]" 2
54 1 27 LEU H 1 34 SER HA 4.000 . 6.000 5.317 2.693 6.122 0.122 17 0 "[ . 1 . 2]" 2
55 1 27 LEU H 1 35 PHE H 4.000 . 6.000 4.597 2.698 5.807 . 0 0 "[ . 1 . 2]" 2
56 1 35 PHE H 1 69 ALA HA 4.000 . 6.000 5.815 4.993 6.220 0.220 9 0 "[ . 1 . 2]" 2
57 1 37 ILE H 1 71 SER HA 4.000 . 6.000 5.072 4.327 5.451 . 0 0 "[ . 1 . 2]" 2
58 1 39 VAL H 1 74 CYS H 4.000 . 6.000 4.914 4.327 5.361 . 0 0 "[ . 1 . 2]" 2
59 1 39 VAL H 1 72 CYS HA 4.000 . 6.000 4.997 4.280 5.685 . 0 0 "[ . 1 . 2]" 2
60 1 22 ILE H 1 40 VAL H 4.000 . 6.000 5.088 3.626 5.629 . 0 0 "[ . 1 . 2]" 2
61 1 2 PRO HB2 1 2 PRO HD2 4.000 . 6.000 3.503 2.916 4.064 . 0 0 "[ . 1 . 2]" 2
62 1 3 VAL MG2 1 8 LEU HG 4.000 . 4.500 4.643 4.126 4.797 0.297 1 0 "[ . 1 . 2]" 2
63 1 3 VAL MG2 1 8 LEU MD1 4.000 . 6.000 2.512 2.068 3.088 . 0 0 "[ . 1 . 2]" 2
64 1 3 VAL MG1 1 8 LEU MD2 4.000 . 6.000 4.055 3.312 4.615 . 0 0 "[ . 1 . 2]" 2
65 1 3 VAL MG2 1 8 LEU MD2 4.000 . 6.000 3.056 2.372 3.603 . 0 0 "[ . 1 . 2]" 2
66 1 3 VAL MG1 1 66 GLU QB 4.000 . 4.000 3.649 2.668 4.195 0.195 15 0 "[ . 1 . 2]" 2
67 1 3 VAL MG1 1 67 ILE MD 4.000 . 4.000 2.621 1.676 3.886 0.124 18 0 "[ . 1 . 2]" 2
68 1 3 VAL MG2 1 67 ILE MG 4.000 . 4.000 3.784 2.625 4.155 0.155 8 0 "[ . 1 . 2]" 2
69 1 3 VAL HA 1 4 THR MG 4.000 . 6.000 4.465 3.367 5.510 . 0 0 "[ . 1 . 2]" 2
70 1 3 VAL MG2 1 4 THR MG 4.000 . 6.000 4.355 2.860 5.249 . 0 0 "[ . 1 . 2]" 2
71 1 4 THR MG 1 31 CYS HB3 4.000 . 6.000 5.352 4.321 6.102 0.102 6 0 "[ . 1 . 2]" 2
72 1 4 THR MG 1 31 CYS HB2 4.000 . 6.000 5.131 3.666 6.029 0.029 18 0 "[ . 1 . 2]" 2
73 1 5 GLU HA 1 5 GLU HG3 4.000 . 6.000 2.524 2.232 2.936 . 0 0 "[ . 1 . 2]" 2
74 1 5 GLU HA 1 8 LEU HB2 4.000 . 6.000 3.068 2.614 3.308 . 0 0 "[ . 1 . 2]" 2
75 1 5 GLU HA 1 8 LEU MD1 4.000 . 6.000 4.751 2.638 5.055 . 0 0 "[ . 1 . 2]" 2
76 1 3 VAL MG1 1 5 GLU HB2 4.000 . 6.000 5.789 4.837 6.251 0.251 17 0 "[ . 1 . 2]" 2
77 1 5 GLU HB3 1 8 LEU HB2 4.000 . 6.000 5.901 5.100 6.171 0.171 4 0 "[ . 1 . 2]" 2
78 1 5 GLU HB3 1 31 CYS HA 4.000 . 6.000 5.945 5.309 6.169 0.169 9 0 "[ . 1 . 2]" 2
79 1 5 GLU HA 1 5 GLU HG2 4.000 . 6.000 3.181 3.035 3.722 . 0 0 "[ . 1 . 2]" 2
80 1 5 GLU HG3 1 8 LEU HB3 4.000 . 6.000 4.150 3.959 4.839 . 0 0 "[ . 1 . 2]" 2
81 1 5 GLU HG3 1 8 LEU HB2 4.000 . 6.000 5.022 3.749 5.444 . 0 0 "[ . 1 . 2]" 2
82 1 5 GLU HG2 1 8 LEU HB2 4.000 . 6.000 5.715 4.016 6.309 0.309 13 0 "[ . 1 . 2]" 2
83 1 5 GLU HG3 1 8 LEU HG 4.000 . 6.000 5.927 5.750 6.100 0.100 9 0 "[ . 1 . 2]" 2
84 1 5 GLU HG3 1 24 VAL MG2 4.000 . 6.000 4.253 3.171 5.535 . 0 0 "[ . 1 . 2]" 2
85 1 6 GLN HA 1 9 ARG QD 4.000 . 6.000 4.617 4.178 5.985 . 0 0 "[ . 1 . 2]" 2
86 1 6 GLN QB 1 7 GLY HA3 4.000 . 6.000 4.412 4.174 5.004 . 0 0 "[ . 1 . 2]" 2
87 1 4 THR MG 1 6 GLN QG 4.000 . 6.000 4.291 3.040 5.928 . 0 0 "[ . 1 . 2]" 2
88 1 7 GLY HA3 1 10 GLU QB 4.000 . 6.000 4.292 4.117 5.268 . 0 0 "[ . 1 . 2]" 2
89 1 7 GLY HA2 1 10 GLU QB 4.000 . 6.000 3.039 2.820 3.793 . 0 0 "[ . 1 . 2]" 2
90 1 8 LEU HA 1 8 LEU HG 4.000 . 6.000 3.012 2.333 3.088 . 0 0 "[ . 1 . 2]" 2
91 1 8 LEU HA 1 8 LEU MD1 4.000 . 6.000 1.822 1.756 2.200 0.044 9 0 "[ . 1 . 2]" 2
92 1 8 LEU HA 1 8 LEU MD2 4.000 . 6.000 3.758 3.663 3.780 . 0 0 "[ . 1 . 2]" 2
93 1 8 LEU HA 1 11 ARG QB 4.000 . 6.000 2.539 2.334 2.713 . 0 0 "[ . 1 . 2]" 2
94 1 8 LEU HA 1 12 ILE MD 4.000 . 6.000 4.768 2.893 4.991 . 0 0 "[ . 1 . 2]" 2
95 1 8 LEU HB3 1 24 VAL HB 4.000 . 6.000 4.706 3.264 6.137 0.137 11 0 "[ . 1 . 2]" 2
96 1 8 LEU HB3 1 24 VAL MG1 4.000 . 4.500 3.034 1.833 3.678 . 0 0 "[ . 1 . 2]" 2
97 1 8 LEU MD1 1 24 VAL MG1 4.000 . 6.000 4.487 3.635 5.603 . 0 0 "[ . 1 . 2]" 2
98 1 8 LEU MD1 1 12 ILE MD 4.000 . 4.000 2.764 2.315 4.169 0.169 2 0 "[ . 1 . 2]" 2
99 1 3 VAL HB 1 8 LEU MD2 4.000 . 6.000 5.425 3.778 6.033 0.033 2 0 "[ . 1 . 2]" 2
100 1 5 GLU HB2 1 8 LEU MD2 4.000 . 6.000 4.949 4.429 5.223 . 0 0 "[ . 1 . 2]" 2
101 1 8 LEU MD2 1 12 ILE MD 4.000 . 6.000 3.684 3.372 3.917 . 0 0 "[ . 1 . 2]" 2
102 1 5 GLU HA 1 8 LEU MD2 4.000 . 6.000 3.214 2.691 3.578 . 0 0 "[ . 1 . 2]" 2
103 1 5 GLU HG3 1 8 LEU MD2 4.000 . 6.000 3.996 3.169 4.507 . 0 0 "[ . 1 . 2]" 2
104 1 8 LEU HG 1 24 VAL MG1 4.000 . 6.000 3.814 2.560 5.406 . 0 0 "[ . 1 . 2]" 2
105 1 9 ARG HA 1 9 ARG QD 4.000 . 6.000 3.975 3.371 4.172 . 0 0 "[ . 1 . 2]" 2
106 1 9 ARG HA 1 24 VAL MG2 4.000 . 6.000 2.825 1.922 3.831 . 0 0 "[ . 1 . 2]" 2
107 1 9 ARG HA 1 12 ILE QG 4.000 . 6.000 3.357 3.153 3.856 . 0 0 "[ . 1 . 2]" 2
108 1 9 ARG HB3 1 24 VAL MG2 4.000 . 6.000 4.302 3.431 5.411 . 0 0 "[ . 1 . 2]" 2
109 1 11 ARG QB 1 12 ILE QG 4.000 . 6.000 3.224 3.093 4.265 . 0 0 "[ . 1 . 2]" 2
110 1 11 ARG QB 1 12 ILE MG 4.000 . 6.000 5.157 5.028 5.261 . 0 0 "[ . 1 . 2]" 2
111 1 9 ARG QD 1 24 VAL MG2 4.000 . 5.000 3.962 3.076 5.052 0.052 13 0 "[ . 1 . 2]" 2
112 1 9 ARG HA 1 9 ARG HG3 4.000 . 6.000 2.507 2.429 3.485 . 0 0 "[ . 1 . 2]" 2
113 1 9 ARG HA 1 9 ARG HG2 4.000 . 6.000 3.014 2.289 3.087 . 0 0 "[ . 1 . 2]" 2
114 1 9 ARG HG3 1 24 VAL MG2 4.000 . 5.000 3.330 2.424 4.640 . 0 0 "[ . 1 . 2]" 2
115 1 10 GLU HA 1 13 GLU HB2 4.000 . 4.000 3.555 3.419 3.773 . 0 0 "[ . 1 . 2]" 2
116 1 10 GLU HA 1 10 GLU HG3 4.000 . 6.000 3.075 2.251 3.698 . 0 0 "[ . 1 . 2]" 2
117 1 10 GLU HA 1 10 GLU HG2 4.000 . 4.500 2.725 2.428 3.906 . 0 0 "[ . 1 . 2]" 2
118 1 11 ARG HA 1 11 ARG HD3 4.000 . 6.000 3.508 1.880 4.778 . 0 0 "[ . 1 . 2]" 2
119 1 11 ARG HA 1 11 ARG HG2 4.000 . 6.000 3.081 2.411 3.737 . 0 0 "[ . 1 . 2]" 2
120 1 11 ARG HA 1 11 ARG HD2 4.000 . 5.000 3.478 1.839 4.607 . 0 0 "[ . 1 . 2]" 2
121 1 11 ARG HA 1 11 ARG HG3 4.000 . 6.000 2.957 2.378 3.686 . 0 0 "[ . 1 . 2]" 2
122 1 12 ILE HA 1 15 ALA MB 4.000 . 6.000 2.137 1.901 2.521 . 0 0 "[ . 1 . 2]" 2
123 1 9 ARG HA 1 12 ILE HB 4.000 . 6.000 2.699 2.585 2.896 . 0 0 "[ . 1 . 2]" 2
124 1 12 ILE HB 1 37 ILE MD 4.000 . 6.000 4.698 3.877 5.503 . 0 0 "[ . 1 . 2]" 2
125 1 12 ILE HB 1 16 ILE MD 4.000 . 6.000 5.595 4.018 6.133 0.133 4 0 "[ . 1 . 2]" 2
126 1 12 ILE HB 1 16 ILE QG 4.000 . 6.000 4.159 3.825 4.829 . 0 0 "[ . 1 . 2]" 2
127 1 9 ARG HA 1 12 ILE MD 4.000 . 6.000 4.880 3.901 5.073 . 0 0 "[ . 1 . 2]" 2
128 1 12 ILE MD 1 37 ILE HG13 4.000 . 6.000 5.363 4.414 6.042 0.042 19 0 "[ . 1 . 2]" 2
129 1 12 ILE HA 1 12 ILE HG13 4.000 . 6.000 3.598 2.581 3.668 . 0 0 "[ . 1 . 2]" 2
130 1 12 ILE HA 1 12 ILE HG12 4.000 . 6.000 2.915 2.854 3.609 . 0 0 "[ . 1 . 2]" 2
131 1 12 ILE QG 1 37 ILE HG13 4.000 . 6.000 5.525 4.682 6.125 0.125 16 0 "[ . 1 . 2]" 2
132 1 12 ILE HG13 1 37 ILE MG 4.000 . 6.000 4.189 3.010 5.071 . 0 0 "[ . 1 . 2]" 2
133 1 8 LEU HA 1 12 ILE MG 4.000 . 6.000 6.214 6.096 6.317 0.317 9 0 "[ . 1 . 2]" 2
134 1 8 LEU QD 1 12 ILE QG 4.000 . 6.000 2.431 2.143 4.196 . 0 0 "[ . 1 . 2]" 2
135 1 12 ILE MG 1 15 ALA MB 4.000 . 6.000 3.498 3.224 3.699 . 0 0 "[ . 1 . 2]" 2
136 1 13 GLU HA 1 22 ILE MD 4.000 . 5.000 2.791 1.812 4.111 . 0 0 "[ . 1 . 2]" 2
137 1 13 GLU HA 1 13 GLU HG3 4.000 . 6.000 2.800 2.450 3.580 . 0 0 "[ . 1 . 2]" 2
138 1 13 GLU HA 1 13 GLU HG2 4.000 . 6.000 2.841 2.336 3.097 . 0 0 "[ . 1 . 2]" 2
139 1 13 GLU HG3 1 22 ILE MD 4.000 . 6.000 4.063 2.537 5.946 . 0 0 "[ . 1 . 2]" 2
140 1 13 GLU HG2 1 22 ILE MD 4.000 . 6.000 4.640 3.255 6.024 0.024 17 0 "[ . 1 . 2]" 2
141 1 13 GLU HB3 1 14 SER QB 4.000 . 6.000 4.228 3.872 4.510 . 0 0 "[ . 1 . 2]" 2
142 1 14 SER QB 1 15 ALA MB 4.000 . 6.000 4.204 3.717 4.684 . 0 0 "[ . 1 . 2]" 2
143 1 15 ALA MB 1 59 ALA HA 4.000 . 6.000 3.898 2.767 4.817 . 0 0 "[ . 1 . 2]" 2
144 1 16 ILE HA 1 16 ILE MD 4.000 . 6.000 3.815 3.281 4.110 . 0 0 "[ . 1 . 2]" 2
145 1 16 ILE HA 1 17 PRO QG 4.000 . 6.000 3.890 3.734 4.174 . 0 0 "[ . 1 . 2]" 2
146 1 16 ILE HA 1 17 PRO HB2 4.000 . 6.000 5.382 5.015 5.730 . 0 0 "[ . 1 . 2]" 2
147 1 13 GLU HG2 1 18 GLN HA 4.000 . 6.000 4.096 3.503 5.029 . 0 0 "[ . 1 . 2]" 2
148 1 18 GLN HA 1 18 GLN HG3 4.000 . 6.000 3.700 2.862 4.220 . 0 0 "[ . 1 . 2]" 2
149 1 13 GLU HA 1 18 GLN HB3 4.000 . 6.000 5.908 5.436 6.127 0.127 14 0 "[ . 1 . 2]" 2
150 1 13 GLU HG2 1 18 GLN HB3 4.000 . 4.500 4.552 4.157 4.729 0.229 15 0 "[ . 1 . 2]" 2
151 1 16 ILE MD 1 19 VAL MG1 4.000 . 5.000 2.502 1.672 4.914 0.128 18 0 "[ . 1 . 2]" 2
152 1 17 PRO HA 1 19 VAL MG1 4.000 . 4.500 4.483 4.062 4.809 0.309 18 0 "[ . 1 . 2]" 2
153 1 17 PRO HG2 1 19 VAL MG1 4.000 . 4.000 3.280 1.945 4.243 0.243 19 0 "[ . 1 . 2]" 2
154 1 18 GLN HA 1 19 VAL MG1 4.000 . 5.000 4.147 3.705 4.728 . 0 0 "[ . 1 . 2]" 2
155 1 18 GLN HB2 1 19 VAL MG1 4.000 . 6.000 5.384 4.288 5.733 . 0 0 "[ . 1 . 2]" 2
156 1 19 VAL MG1 1 41 SER HA 4.000 . 6.000 4.497 3.727 6.029 0.029 11 0 "[ . 1 . 2]" 2
157 1 18 GLN HB3 1 19 VAL QG 4.000 . 6.000 4.965 4.433 5.445 . 0 0 "[ . 1 . 2]" 2
158 1 19 VAL MG2 1 41 SER HA 4.000 . 6.000 4.739 3.043 6.025 0.025 19 0 "[ . 1 . 2]" 2
159 1 22 ILE HA 1 24 VAL MG2 4.000 . 6.000 5.029 4.661 5.530 . 0 0 "[ . 1 . 2]" 2
160 1 22 ILE HA 1 37 ILE QG 4.000 . 6.000 5.397 3.619 6.034 0.034 10 0 "[ . 1 . 2]" 2
161 1 22 ILE HA 1 37 ILE HB 4.000 . 6.000 5.498 4.636 6.342 0.342 19 0 "[ . 1 . 2]" 2
162 1 22 ILE HA 1 39 VAL HA 4.000 . 6.000 2.753 2.376 3.293 . 0 0 "[ . 1 . 2]" 2
163 1 22 ILE HB 1 24 VAL MG2 4.000 . 6.000 4.950 3.827 5.781 . 0 0 "[ . 1 . 2]" 2
164 1 12 ILE QG 1 22 ILE HB 4.000 . 6.000 5.848 4.713 6.406 0.406 19 0 "[ . 1 . 2]" 2
165 1 12 ILE MG 1 22 ILE HB 4.000 . 6.000 3.672 2.592 4.916 . 0 0 "[ . 1 . 2]" 2
166 1 22 ILE HB 1 39 VAL HA 4.000 . 6.000 4.782 3.450 5.975 . 0 0 "[ . 1 . 2]" 2
167 1 9 ARG HA 1 22 ILE MD 4.000 . 6.000 3.478 2.204 4.471 . 0 0 "[ . 1 . 2]" 2
168 1 12 ILE HG13 1 22 ILE MD 4.000 . 5.000 3.816 2.799 4.956 . 0 0 "[ . 1 . 2]" 2
169 1 13 GLU HB3 1 22 ILE MD 4.000 . 6.000 4.303 3.371 5.493 . 0 0 "[ . 1 . 2]" 2
170 1 16 ILE MD 1 22 ILE MD 4.000 . 6.000 3.490 2.113 4.466 . 0 0 "[ . 1 . 2]" 2
171 1 18 GLN HA 1 22 ILE MD 4.000 . 6.000 4.640 3.277 5.711 . 0 0 "[ . 1 . 2]" 2
172 1 22 ILE HA 1 22 ILE MD 4.000 . 6.000 3.824 3.673 4.118 . 0 0 "[ . 1 . 2]" 2
173 1 12 ILE QG 1 22 ILE QG 4.000 . 5.000 4.621 3.726 5.229 0.229 1 0 "[ . 1 . 2]" 2
174 1 16 ILE MD 1 22 ILE QG 4.000 . 6.000 4.349 2.887 5.763 . 0 0 "[ . 1 . 2]" 2
175 1 22 ILE QG 1 41 SER QB 4.000 . 6.000 5.566 4.105 6.213 0.213 9 0 "[ . 1 . 2]" 2
176 1 22 ILE HA 1 23 ILE MD 4.000 . 6.000 4.991 4.308 6.012 0.012 1 0 "[ . 1 . 2]" 2
177 1 23 ILE HA 1 23 ILE MD 4.000 . 6.000 3.135 1.811 4.111 . 0 0 "[ . 1 . 2]" 2
178 1 24 VAL HB 1 37 ILE HB 4.000 . 6.000 5.264 4.351 6.235 0.235 19 0 "[ . 1 . 2]" 2
179 1 22 ILE HA 1 24 VAL QG 4.000 . 6.000 4.951 4.602 5.419 . 0 0 "[ . 1 . 2]" 2
180 1 24 VAL MG1 1 35 PHE HB3 4.000 . 6.000 4.474 2.163 6.337 0.337 13 0 "[ . 1 . 2]" 2
181 1 24 VAL MG1 1 37 ILE HA 4.000 . 6.000 4.044 3.720 4.601 . 0 0 "[ . 1 . 2]" 2
182 1 24 VAL QG 1 35 PHE HB2 4.000 . 6.000 4.835 2.791 6.072 0.072 3 0 "[ . 1 . 2]" 2
183 1 24 VAL MG2 1 37 ILE HB 4.000 . 6.000 2.705 1.857 3.477 . 0 0 "[ . 1 . 2]" 2
184 1 24 VAL MG2 1 37 ILE HG13 4.000 . 6.000 4.511 3.173 5.396 . 0 0 "[ . 1 . 2]" 2
185 1 25 THR HB 1 27 LEU QD 4.000 . 6.000 4.276 2.630 5.892 . 0 0 "[ . 1 . 2]" 2
186 1 25 THR HB 1 36 ASP HB3 4.000 . 6.000 3.156 1.832 5.232 . 0 0 "[ . 1 . 2]" 2
187 1 27 LEU HA 1 27 LEU QD 4.000 . 5.000 2.206 1.780 3.355 0.020 17 0 "[ . 1 . 2]" 2
188 1 34 SER HA 1 67 ILE MG 4.000 . 6.000 4.845 2.327 6.081 0.081 4 0 "[ . 1 . 2]" 2
189 1 34 SER HA 1 69 ALA MB 4.000 . 6.000 3.163 1.827 5.788 . 0 0 "[ . 1 . 2]" 2
190 1 28 SER HA 1 34 SER HB3 4.000 . 6.000 5.029 3.501 6.226 0.226 18 0 "[ . 1 . 2]" 2
191 1 28 SER HA 1 34 SER HB2 4.000 . 6.000 5.635 3.912 6.107 0.107 19 0 "[ . 1 . 2]" 2
192 1 34 SER HB3 1 69 ALA MB 4.000 . 6.000 4.336 2.159 5.586 . 0 0 "[ . 1 . 2]" 2
193 1 34 SER HB2 1 69 ALA MB 4.000 . 6.000 4.057 2.253 6.030 0.030 9 0 "[ . 1 . 2]" 2
194 1 34 SER HB3 1 70 PHE HA 4.000 . 6.000 5.762 4.335 6.176 0.176 9 0 "[ . 1 . 2]" 2
195 1 34 SER HB2 1 70 PHE HA 4.000 . 6.000 5.606 3.723 6.138 0.138 9 0 "[ . 1 . 2]" 2
196 1 25 THR HB 1 36 ASP HB2 4.000 . 5.000 4.675 3.357 5.070 0.070 15 0 "[ . 1 . 2]" 2
197 1 25 THR MG 1 36 ASP HB3 4.000 . 6.000 3.672 2.796 5.286 . 0 0 "[ . 1 . 2]" 2
198 1 25 THR MG 1 36 ASP HB2 4.000 . 6.000 4.842 3.626 5.710 . 0 0 "[ . 1 . 2]" 2
199 1 27 LEU HB3 1 36 ASP HB2 4.000 . 6.000 4.459 2.085 6.324 0.324 18 0 "[ . 1 . 2]" 2
200 1 27 LEU HG 1 36 ASP HB3 4.000 . 6.000 4.629 1.980 6.093 0.093 13 0 "[ . 1 . 2]" 2
201 1 27 LEU QD 1 36 ASP HB3 4.000 . 6.000 3.318 1.804 5.477 . 0 0 "[ . 1 . 2]" 2
202 1 27 LEU QD 1 36 ASP HB2 4.000 . 6.000 3.111 1.719 5.615 0.081 16 0 "[ . 1 . 2]" 2
203 1 35 PHE HA 1 36 ASP HB3 4.000 . 6.000 4.697 4.328 5.426 . 0 0 "[ . 1 . 2]" 2
204 1 23 ILE HB 1 37 ILE HA 4.000 . 6.000 4.800 3.908 6.029 0.029 16 0 "[ . 1 . 2]" 2
205 1 23 ILE MD 1 37 ILE HA 4.000 . 6.000 5.562 3.615 6.196 0.196 15 0 "[ . 1 . 2]" 2
206 1 24 VAL HA 1 37 ILE HA 4.000 . 6.000 2.554 2.143 3.025 . 0 0 "[ . 1 . 2]" 2
207 1 24 VAL MG2 1 37 ILE HA 4.000 . 6.000 3.876 2.953 4.387 . 0 0 "[ . 1 . 2]" 2
208 1 37 ILE HB 1 72 CYS HA 4.000 . 6.000 4.403 1.921 4.758 . 0 0 "[ . 1 . 2]" 2
209 1 37 ILE HB 1 72 CYS HB3 4.000 . 6.000 5.535 4.282 6.227 0.227 3 0 "[ . 1 . 2]" 2
210 1 37 ILE HB 1 72 CYS HB2 4.000 . 6.000 5.705 4.170 6.083 0.083 9 0 "[ . 1 . 2]" 2
211 1 24 VAL MG1 1 37 ILE MD 4.000 . 4.500 3.741 1.809 4.595 0.095 11 0 "[ . 1 . 2]" 2
212 1 37 ILE HA 1 37 ILE MD 4.000 . 6.000 4.092 3.910 4.132 . 0 0 "[ . 1 . 2]" 2
213 1 37 ILE MD 1 71 SER HA 4.000 . 6.000 5.592 4.378 6.249 0.249 11 0 "[ . 1 . 2]" 2
214 1 24 VAL HA 1 37 ILE MD 4.000 . 6.000 4.143 3.381 5.053 . 0 0 "[ . 1 . 2]" 2
215 1 37 ILE MD 1 72 CYS HA 4.000 . 6.000 3.156 1.846 3.815 . 0 0 "[ . 1 . 2]" 2
216 1 37 ILE MD 1 72 CYS HB2 4.000 . 6.000 3.321 1.909 4.471 . 0 0 "[ . 1 . 2]" 2
217 1 24 VAL HA 1 37 ILE HG13 4.000 . 6.000 4.914 3.509 5.806 . 0 0 "[ . 1 . 2]" 2
218 1 24 VAL HA 1 37 ILE HG12 4.000 . 6.000 4.763 1.999 5.678 . 0 0 "[ . 1 . 2]" 2
219 1 24 VAL MG2 1 37 ILE HG12 4.000 . 6.000 4.486 2.212 5.233 . 0 0 "[ . 1 . 2]" 2
220 1 37 ILE HA 1 37 ILE HG13 4.000 . 6.000 3.579 2.818 3.668 . 0 0 "[ . 1 . 2]" 2
221 1 37 ILE HA 1 37 ILE HG12 4.000 . 6.000 3.686 2.764 3.836 . 0 0 "[ . 1 . 2]" 2
222 1 24 VAL HA 1 37 ILE MG 4.000 . 6.000 2.037 1.728 4.307 0.072 9 0 "[ . 1 . 2]" 2
223 1 37 ILE MG 1 72 CYS HA 4.000 . 6.000 4.216 1.997 4.786 . 0 0 "[ . 1 . 2]" 2
224 1 37 ILE HA 1 38 VAL MG1 4.000 . 5.000 5.235 3.798 5.425 0.425 17 0 "[ . 1 . 2]" 2
225 1 38 VAL MG2 1 40 VAL MG2 4.000 . 6.000 4.701 3.019 5.415 . 0 0 "[ . 1 . 2]" 2
226 1 21 HIS HB3 1 40 VAL HA 4.000 . 6.000 5.486 4.076 6.181 0.181 11 0 "[ . 1 . 2]" 2
227 1 40 VAL HA 1 75 TYR HB2 4.000 . 6.000 4.514 3.395 6.008 0.008 8 0 "[ . 1 . 2]" 2
228 1 21 HIS HA 1 40 VAL HB 4.000 . 6.000 5.070 2.505 6.008 0.008 10 0 "[ . 1 . 2]" 2
229 1 20 TYR HB3 1 40 VAL MG1 4.000 . 6.000 4.168 1.946 6.077 0.077 4 0 "[ . 1 . 2]" 2
230 1 21 HIS HB3 1 40 VAL MG1 4.000 . 6.000 4.449 3.561 6.292 0.292 11 0 "[ . 1 . 2]" 2
231 1 40 VAL MG1 1 44 PHE HB3 4.000 . 6.000 5.332 4.746 6.112 0.112 19 0 "[ . 1 . 2]" 2
232 1 40 VAL MG1 1 76 THR HB 4.000 . 6.000 4.256 3.433 4.901 . 0 0 "[ . 1 . 2]" 2
233 1 21 HIS HB2 1 40 VAL MG2 4.000 . 6.000 4.626 2.856 6.084 0.084 11 0 "[ . 1 . 2]" 2
234 1 40 VAL MG2 1 75 TYR HB2 4.000 . 6.000 2.818 1.802 4.953 . 0 0 "[ . 1 . 2]" 2
235 1 40 VAL MG2 1 76 THR HA 4.000 . 6.000 3.907 3.225 4.827 . 0 0 "[ . 1 . 2]" 2
236 1 19 VAL MG1 1 41 SER QB 4.000 . 4.000 2.681 1.780 4.084 0.084 2 0 "[ . 1 . 2]" 2
237 1 40 VAL HA 1 44 PHE HB2 4.000 . 6.000 5.492 4.577 6.127 0.127 9 0 "[ . 1 . 2]" 2
238 1 44 PHE HB2 1 78 GLU QG 4.000 . 6.000 5.857 4.498 6.291 0.291 6 0 "[ . 1 . 2]" 2
239 1 42 ASP HA 1 45 GLN HA 4.000 . 6.000 4.880 4.326 5.323 . 0 0 "[ . 1 . 2]" 2
240 1 45 GLN HA 1 76 THR MG 4.000 . 6.000 3.947 2.197 5.245 . 0 0 "[ . 1 . 2]" 2
241 1 42 ASP HA 1 45 GLN HB3 4.000 . 6.000 4.097 2.788 5.397 . 0 0 "[ . 1 . 2]" 2
242 1 42 ASP HA 1 45 GLN QG 4.000 . 6.000 3.221 1.776 4.911 0.024 20 0 "[ . 1 . 2]" 2
243 1 42 ASP HB3 1 45 GLN QG 4.000 . 6.000 3.954 2.409 5.824 . 0 0 "[ . 1 . 2]" 2
244 1 42 ASP HB2 1 45 GLN QG 4.000 . 6.000 5.055 3.732 6.211 0.211 17 0 "[ . 1 . 2]" 2
245 1 50 LEU HA 1 50 LEU HG 4.000 . 6.000 2.996 2.333 3.633 . 0 0 "[ . 1 . 2]" 2
246 1 50 LEU HA 1 50 LEU MD1 4.000 . 4.500 3.213 1.800 4.124 . 0 0 "[ . 1 . 2]" 2
247 1 50 LEU HA 1 50 LEU MD2 4.000 . 5.000 2.372 1.890 3.726 . 0 0 "[ . 1 . 2]" 2
248 1 50 LEU MD2 1 51 MET HG2 4.000 . 6.000 5.791 4.719 6.446 0.446 5 0 "[ . 1 . 2]" 2
249 1 50 LEU MD2 1 53 SER QB 4.000 . 6.000 4.252 3.482 5.948 . 0 0 "[ . 1 . 2]" 2
250 1 51 MET HA 1 51 MET HG3 4.000 . 6.000 3.417 2.878 3.668 . 0 0 "[ . 1 . 2]" 2
251 1 51 MET HA 1 51 MET HG2 4.000 . 6.000 2.750 2.380 2.983 . 0 0 "[ . 1 . 2]" 2
252 1 51 MET HA 1 54 ARG HB3 4.000 . 6.000 3.579 2.602 4.933 . 0 0 "[ . 1 . 2]" 2
253 1 51 MET HA 1 54 ARG QD 4.000 . 5.000 4.052 2.371 5.158 0.158 12 0 "[ . 1 . 2]" 2
254 1 50 LEU HB2 1 51 MET HG3 4.000 . 6.000 4.627 3.355 5.481 . 0 0 "[ . 1 . 2]" 2
255 1 50 LEU HB2 1 51 MET HG2 4.000 . 6.000 3.900 3.396 4.935 . 0 0 "[ . 1 . 2]" 2
256 1 52 ARG HA 1 52 ARG HD3 4.000 . 6.000 4.062 1.920 5.103 . 0 0 "[ . 1 . 2]" 2
257 1 52 ARG HB3 1 52 ARG HD2 4.000 . 6.000 3.249 2.392 3.731 . 0 0 "[ . 1 . 2]" 2
258 1 52 ARG HB2 1 52 ARG HD3 4.000 . 6.000 3.124 2.427 4.242 . 0 0 "[ . 1 . 2]" 2
259 1 53 SER HA 1 56 VAL HB 4.000 . 6.000 3.591 2.492 4.105 . 0 0 "[ . 1 . 2]" 2
260 1 50 LEU HB2 1 53 SER QB 4.000 . 6.000 5.552 5.008 6.147 0.147 16 0 "[ . 1 . 2]" 2
261 1 53 SER QB 1 56 VAL HB 4.000 . 6.000 5.416 4.271 5.929 . 0 0 "[ . 1 . 2]" 2
262 1 53 SER QB 1 56 VAL MG1 4.000 . 6.000 3.686 3.076 5.249 . 0 0 "[ . 1 . 2]" 2
263 1 54 ARG HA 1 54 ARG QD 4.000 . 6.000 3.577 1.812 4.191 . 0 0 "[ . 1 . 2]" 2
264 1 54 ARG HA 1 57 ASN HB3 4.000 . 6.000 3.473 2.269 4.488 . 0 0 "[ . 1 . 2]" 2
265 1 54 ARG HA 1 57 ASN HB2 4.000 . 6.000 2.963 2.235 4.156 . 0 0 "[ . 1 . 2]" 2
266 1 54 ARG QD 1 58 LYS QB 4.000 . 6.000 5.711 4.319 6.311 0.311 6 0 "[ . 1 . 2]" 2
267 1 47 LYS HE2 1 55 ALA MB 4.000 . 6.000 5.272 3.236 6.087 0.087 16 0 "[ . 1 . 2]" 2
268 1 52 ARG HA 1 55 ALA MB 4.000 . 6.000 2.756 2.425 3.035 . 0 0 "[ . 1 . 2]" 2
269 1 16 ILE HB 1 56 VAL HA 4.000 . 6.000 5.026 4.132 6.013 0.013 3 0 "[ . 1 . 2]" 2
270 1 52 ARG HA 1 56 VAL HB 4.000 . 6.000 5.064 4.575 5.631 . 0 0 "[ . 1 . 2]" 2
271 1 52 ARG HB2 1 56 VAL HB 4.000 . 6.000 5.878 4.820 6.208 0.208 6 0 "[ . 1 . 2]" 2
272 1 16 ILE HA 1 56 VAL QG 4.000 . 6.000 5.833 5.365 6.073 0.073 4 0 "[ . 1 . 2]" 2
273 1 16 ILE HB 1 56 VAL QG 4.000 . 6.000 4.345 3.774 5.192 . 0 0 "[ . 1 . 2]" 2
274 1 16 ILE QG 1 56 VAL MG1 4.000 . 6.000 5.201 3.515 6.057 0.057 11 0 "[ . 1 . 2]" 2
275 1 56 VAL MG1 1 60 VAL QG 4.000 . 6.000 3.384 2.038 4.224 . 0 0 "[ . 1 . 2]" 2
276 1 56 VAL MG2 1 57 ASN HA 4.000 . 6.000 4.120 3.553 5.400 . 0 0 "[ . 1 . 2]" 2
277 1 57 ASN HA 1 60 VAL MG2 4.000 . 6.000 3.260 2.053 4.399 . 0 0 "[ . 1 . 2]" 2
278 1 57 ASN HB3 1 64 LEU MD1 4.000 . 6.000 3.537 2.338 5.809 . 0 0 "[ . 1 . 2]" 2
279 1 57 ASN HB2 1 64 LEU MD1 4.000 . 6.000 3.849 2.270 5.118 . 0 0 "[ . 1 . 2]" 2
280 1 58 LYS QB 1 58 LYS QE 4.000 . 6.000 3.467 1.984 3.835 . 0 0 "[ . 1 . 2]" 2
281 1 55 ALA HA 1 58 LYS QD 4.000 . 6.000 3.722 2.518 5.620 . 0 0 "[ . 1 . 2]" 2
282 1 58 LYS HA 1 58 LYS HG3 4.000 . 6.000 3.203 2.452 3.679 . 0 0 "[ . 1 . 2]" 2
283 1 58 LYS HA 1 58 LYS HG2 4.000 . 6.000 2.799 2.398 3.739 . 0 0 "[ . 1 . 2]" 2
284 1 58 LYS QB 1 59 ALA HA 4.000 . 6.000 3.999 3.879 4.457 . 0 0 "[ . 1 . 2]" 2
285 1 59 ALA HA 1 60 VAL HA 4.000 . 6.000 4.557 4.543 4.613 . 0 0 "[ . 1 . 2]" 2
286 1 12 ILE QG 1 60 VAL HB 4.000 . 6.000 5.191 4.505 6.033 0.033 1 0 "[ . 1 . 2]" 2
287 1 12 ILE MG 1 60 VAL HB 4.000 . 6.000 5.854 5.252 6.212 0.212 17 0 "[ . 1 . 2]" 2
288 1 56 VAL MG2 1 60 VAL HB 4.000 . 6.000 5.047 4.250 5.846 . 0 0 "[ . 1 . 2]" 2
289 1 15 ALA MB 1 60 VAL MG1 4.000 . 6.000 2.079 1.744 3.037 0.056 17 0 "[ . 1 . 2]" 2
290 1 57 ASN HA 1 60 VAL MG1 4.000 . 6.000 5.344 4.315 5.926 . 0 0 "[ . 1 . 2]" 2
291 1 56 VAL MG2 1 60 VAL MG2 4.000 . 6.000 2.811 2.022 3.909 . 0 0 "[ . 1 . 2]" 2
292 1 59 ALA HA 1 60 VAL MG2 4.000 . 6.000 4.452 3.863 5.162 . 0 0 "[ . 1 . 2]" 2
293 1 59 ALA MB 1 60 VAL MG2 4.000 . 6.000 2.653 1.892 3.627 . 0 0 "[ . 1 . 2]" 2
294 1 16 ILE QG 1 60 VAL MG2 4.000 . 6.000 4.234 2.347 5.509 . 0 0 "[ . 1 . 2]" 2
295 1 61 LYS HA 1 64 LEU MD1 4.000 . 6.000 2.883 1.795 4.648 0.005 19 0 "[ . 1 . 2]" 2
296 1 58 LYS HG2 1 61 LYS QE 4.000 . 6.000 5.505 2.828 6.147 0.147 20 0 "[ . 1 . 2]" 2
297 1 61 LYS HB3 1 62 GLU HA 4.000 . 6.000 4.782 4.175 5.638 . 0 0 "[ . 1 . 2]" 2
298 1 63 GLU HA 1 67 ILE MG 4.000 . 6.000 5.360 3.746 6.212 0.212 19 0 "[ . 1 . 2]" 2
299 1 60 VAL HA 1 63 GLU QG 4.000 . 6.000 4.517 3.011 6.025 0.025 2 0 "[ . 1 . 2]" 2
300 1 64 LEU HA 1 64 LEU HG 4.000 . 6.000 2.675 2.051 3.625 . 0 0 "[ . 1 . 2]" 2
301 1 64 LEU HA 1 64 LEU MD2 4.000 . 6.000 2.643 1.825 3.784 . 0 0 "[ . 1 . 2]" 2
302 1 64 LEU HA 1 67 ILE HB 4.000 . 6.000 3.387 2.029 5.049 . 0 0 "[ . 1 . 2]" 2
303 1 64 LEU HA 1 67 ILE MD 4.000 . 6.000 4.109 2.238 5.869 . 0 0 "[ . 1 . 2]" 2
304 1 64 LEU HA 1 67 ILE MG 4.000 . 6.000 3.667 1.852 4.888 . 0 0 "[ . 1 . 2]" 2
305 1 60 VAL HB 1 64 LEU MD1 4.000 . 6.000 4.784 3.008 6.049 0.049 9 0 "[ . 1 . 2]" 2
306 1 64 LEU MD1 1 67 ILE MG 4.000 . 6.000 5.296 3.717 6.114 0.114 2 0 "[ . 1 . 2]" 2
307 1 57 ASN QB 1 64 LEU QD 4.000 . 6.000 2.796 2.227 3.416 . 0 0 "[ . 1 . 2]" 2
308 1 64 LEU MD2 1 67 ILE HB 4.000 . 6.000 4.821 3.230 6.236 0.236 2 0 "[ . 1 . 2]" 2
309 1 65 GLN HA 1 65 GLN HG3 4.000 . 6.000 2.940 2.407 3.663 . 0 0 "[ . 1 . 2]" 2
310 1 65 GLN HA 1 65 GLN HG2 4.000 . 6.000 2.789 2.426 3.731 . 0 0 "[ . 1 . 2]" 2
311 1 3 VAL MG1 1 67 ILE HA 4.000 . 6.000 3.560 2.194 4.506 . 0 0 "[ . 1 . 2]" 2
312 1 3 VAL MG2 1 67 ILE HA 4.000 . 6.000 5.260 3.028 6.069 0.069 10 0 "[ . 1 . 2]" 2
313 1 66 GLU QG 1 67 ILE HA 4.000 . 6.000 4.796 3.110 5.996 . 0 0 "[ . 1 . 2]" 2
314 1 3 VAL MG1 1 67 ILE HB 4.000 . 6.000 4.046 2.158 5.151 . 0 0 "[ . 1 . 2]" 2
315 1 8 LEU MD2 1 67 ILE MD 4.000 . 6.000 3.051 1.744 5.300 0.056 5 0 "[ . 1 . 2]" 2
316 1 63 GLU HA 1 67 ILE MD 4.000 . 6.000 4.492 3.611 6.101 0.101 10 0 "[ . 1 . 2]" 2
317 1 63 GLU QG 1 67 ILE MD 4.000 . 6.000 3.695 1.772 5.770 0.028 15 0 "[ . 1 . 2]" 2
318 1 64 LEU MD2 1 67 ILE MD 4.000 . 6.000 4.884 1.833 6.131 0.131 8 0 "[ . 1 . 2]" 2
319 1 8 LEU MD1 1 67 ILE MD 4.000 . 6.000 3.278 1.798 5.588 0.002 7 0 "[ . 1 . 2]" 2
320 1 67 ILE HA 1 67 ILE MD 4.000 . 6.000 3.392 1.860 4.108 . 0 0 "[ . 1 . 2]" 2
321 1 64 LEU HA 1 67 ILE HG13 4.000 . 6.000 4.319 1.985 5.988 . 0 0 "[ . 1 . 2]" 2
322 1 67 ILE HG13 1 70 PHE QB 4.000 . 6.000 4.478 2.605 5.568 . 0 0 "[ . 1 . 2]" 2
323 1 8 LEU MD1 1 67 ILE MG 4.000 . 6.000 4.514 3.663 5.611 . 0 0 "[ . 1 . 2]" 2
324 1 8 LEU MD2 1 67 ILE MG 4.000 . 6.000 4.001 3.076 5.011 . 0 0 "[ . 1 . 2]" 2
325 1 66 GLU HA 1 67 ILE MG 4.000 . 6.000 5.623 4.347 6.093 0.093 15 0 "[ . 1 . 2]" 2
326 1 66 GLU QG 1 67 ILE MG 4.000 . 6.000 5.125 4.208 6.501 0.501 16 1 "[ . 1 .+ 2]" 2
327 1 67 ILE MD 1 70 PHE QB 4.000 . 6.000 3.113 1.788 4.366 0.012 11 0 "[ . 1 . 2]" 2
328 1 36 ASP HA 1 71 SER HB3 4.000 . 6.000 4.300 3.599 5.551 . 0 0 "[ . 1 . 2]" 2
329 1 36 ASP HA 1 71 SER HB2 4.000 . 6.000 4.189 3.088 5.133 . 0 0 "[ . 1 . 2]" 2
330 1 36 ASP HB2 1 71 SER HB3 4.000 . 6.000 5.245 4.141 6.314 0.314 6 0 "[ . 1 . 2]" 2
331 1 36 ASP HB2 1 71 SER HB2 4.000 . 6.000 5.411 3.782 6.082 0.082 3 0 "[ . 1 . 2]" 2
332 1 38 VAL MG2 1 71 SER QB 4.000 . 6.000 5.677 4.848 6.152 0.152 19 0 "[ . 1 . 2]" 2
333 1 39 VAL MG1 1 72 CYS HA 4.000 . 6.000 4.850 3.471 6.300 0.300 3 0 "[ . 1 . 2]" 2
334 1 37 ILE MG 1 72 CYS HB3 4.000 . 6.000 4.887 2.497 5.619 . 0 0 "[ . 1 . 2]" 2
335 1 37 ILE MG 1 72 CYS HB2 4.000 . 6.000 5.474 3.270 6.081 0.081 8 0 "[ . 1 . 2]" 2
336 1 39 VAL MG1 1 72 CYS HB3 4.000 . 6.000 5.197 4.085 6.155 0.155 17 0 "[ . 1 . 2]" 2
337 1 39 VAL MG1 1 72 CYS HB2 4.000 . 6.000 4.199 2.917 5.974 . 0 0 "[ . 1 . 2]" 2
338 1 71 SER HB2 1 73 LYS HA 4.000 . 5.000 5.117 4.776 5.248 0.248 6 0 "[ . 1 . 2]" 2
339 1 73 LYS HA 1 73 LYS QD 4.000 . 6.000 3.710 1.855 4.178 . 0 0 "[ . 1 . 2]" 2
340 1 36 ASP QB 1 73 LYS QE 4.000 . 6.000 5.150 3.730 6.108 0.108 8 0 "[ . 1 . 2]" 2
341 1 38 VAL HA 1 73 LYS QG 4.000 . 6.000 4.472 3.507 5.736 . 0 0 "[ . 1 . 2]" 2
342 1 38 VAL MG1 1 73 LYS QG 4.000 . 6.000 4.657 2.754 5.562 . 0 0 "[ . 1 . 2]" 2
343 1 39 VAL HB 1 74 CYS HA 4.000 . 6.000 4.666 3.146 5.652 . 0 0 "[ . 1 . 2]" 2
344 1 39 VAL MG1 1 74 CYS HA 4.000 . 6.000 3.625 1.913 5.100 . 0 0 "[ . 1 . 2]" 2
345 1 52 ARG HD3 1 74 CYS QB 4.000 . 6.000 3.042 1.825 4.475 . 0 0 "[ . 1 . 2]" 2
346 1 75 TYR QB 1 79 GLU QB 4.000 . 6.000 3.710 1.876 4.691 . 0 0 "[ . 1 . 2]" 2
347 1 40 VAL MG1 1 76 THR HA 4.000 . 6.000 2.372 1.829 2.958 . 0 0 "[ . 1 . 2]" 2
348 1 40 VAL HA 1 76 THR MG 4.000 . 6.000 4.699 3.080 5.986 . 0 0 "[ . 1 . 2]" 2
349 1 75 TYR HA 1 76 THR MG 4.000 . 6.000 4.910 3.219 5.410 . 0 0 "[ . 1 . 2]" 2
350 1 42 ASP HA 1 76 THR MG 4.000 . 6.000 2.653 1.810 4.417 . 0 0 "[ . 1 . 2]" 2
351 1 42 ASP HB2 1 76 THR MG 4.000 . 6.000 5.023 3.998 5.995 . 0 0 "[ . 1 . 2]" 2
352 1 44 PHE HB3 1 76 THR MG 4.000 . 6.000 3.224 1.705 4.976 0.095 8 0 "[ . 1 . 2]" 2
353 1 76 THR MG 1 78 GLU QB 4.000 . 5.000 4.370 2.261 5.057 0.057 15 0 "[ . 1 . 2]" 2
354 1 40 VAL MG1 1 77 GLU HA 4.000 . 6.000 5.810 5.074 6.086 0.086 17 0 "[ . 1 . 2]" 2
355 1 77 GLU HA 1 80 TRP QB 4.000 . 6.000 3.167 2.685 3.806 . 0 0 "[ . 1 . 2]" 2
356 1 76 THR HB 1 77 GLU QG 4.000 . 6.000 5.454 4.345 6.106 0.106 17 0 "[ . 1 . 2]" 2
357 1 77 GLU QG 1 80 TRP QB 4.000 . 6.000 3.966 2.566 5.434 . 0 0 "[ . 1 . 2]" 2
358 1 78 GLU HB3 1 81 SER HA 4.000 . 6.000 6.077 5.487 6.425 0.425 5 0 "[ . 1 . 2]" 2
359 1 78 GLU HB3 1 81 SER QB 4.000 . 6.000 4.665 3.420 6.224 0.224 6 0 "[ . 1 . 2]" 2
360 1 78 GLU HB3 1 79 GLU HA 4.000 . 5.000 4.367 4.181 4.661 . 0 0 "[ . 1 . 2]" 2
361 1 77 GLU HA 1 80 TRP HA 4.000 . 6.000 5.485 3.388 5.976 . 0 0 "[ . 1 . 2]" 2
362 1 80 TRP HB2 1 85 VAL HB 4.000 . 6.000 5.862 4.242 6.101 0.101 7 0 "[ . 1 . 2]" 2
363 1 81 SER HA 1 83 ILE MD 4.000 . 6.000 5.665 4.782 6.278 0.278 12 0 "[ . 1 . 2]" 2
364 1 82 LYS HA 1 82 LYS QD 4.000 . 5.000 3.730 1.835 4.451 . 0 0 "[ . 1 . 2]" 2
365 1 82 LYS HA 1 82 LYS QE 4.000 . 6.000 4.338 3.087 5.623 . 0 0 "[ . 1 . 2]" 2
366 1 83 ILE HA 1 83 ILE MD 4.000 . 6.000 3.501 1.934 4.122 . 0 0 "[ . 1 . 2]" 2
367 1 80 TRP HA 1 83 ILE MD 4.000 . 6.000 4.077 2.567 6.167 0.167 4 0 "[ . 1 . 2]" 2
368 1 83 ILE HA 1 83 ILE HG13 4.000 . 6.000 3.092 2.233 3.749 . 0 0 "[ . 1 . 2]" 2
369 1 83 ILE HA 1 83 ILE HG12 4.000 . 6.000 3.083 2.529 3.762 . 0 0 "[ . 1 . 2]" 2
370 1 80 TRP HA 1 83 ILE MG 4.000 . 6.000 5.267 3.671 6.357 0.357 7 0 "[ . 1 . 2]" 2
371 1 82 LYS HB2 1 83 ILE MG 4.000 . 6.000 5.592 4.393 6.323 0.323 17 0 "[ . 1 . 2]" 2
372 1 83 ILE MG 1 84 VAL HA 4.000 . 6.000 4.415 3.248 6.005 0.005 19 0 "[ . 1 . 2]" 2
373 1 82 LYS QE 1 84 VAL QG 4.000 . 6.000 5.608 3.817 6.312 0.312 16 0 "[ . 1 . 2]" 2
374 1 43 PHE QB 1 52 ARG HA 4.000 . 6.000 5.091 3.224 6.047 0.047 10 0 "[ . 1 . 2]" 2
375 1 43 PHE HA 1 55 ALA MB 4.000 . 6.000 5.997 4.577 6.267 0.267 5 0 "[ . 1 . 2]" 2
376 1 16 ILE QG 1 41 SER QB 4.000 . 6.000 4.569 3.120 5.571 . 0 0 "[ . 1 . 2]" 2
377 1 19 VAL QG 1 43 PHE H 4.000 . 6.000 4.779 3.351 5.880 . 0 0 "[ . 1 . 2]" 2
378 1 16 ILE MD 1 43 PHE H 4.000 . 6.000 5.974 5.435 6.174 0.174 4 0 "[ . 1 . 2]" 2
379 1 52 ARG QD 1 75 TYR HA 4.000 . 6.000 5.788 4.876 6.190 0.190 19 0 "[ . 1 . 2]" 2
380 1 49 LYS HA 1 74 CYS QB 4.000 . 5.000 4.314 3.440 4.994 . 0 0 "[ . 1 . 2]" 2
381 1 49 LYS QB 1 74 CYS QB 4.000 . 5.000 4.832 4.035 5.298 0.298 7 0 "[ . 1 . 2]" 2
382 1 49 LYS H 1 49 LYS HG2 4.000 . 5.000 3.588 2.048 4.474 . 0 0 "[ . 1 . 2]" 2
383 1 49 LYS H 1 50 LEU H 4.000 . 5.000 2.687 2.640 2.734 . 0 0 "[ . 1 . 2]" 2
384 1 48 SER H 1 49 LYS H 4.000 . 5.000 4.583 4.155 4.637 . 0 0 "[ . 1 . 2]" 2
385 1 49 LYS QB 1 49 LYS QE 4.000 . 6.000 3.434 1.974 3.651 . 0 0 "[ . 1 . 2]" 2
386 1 49 LYS HA 1 49 LYS HG3 4.000 . 6.000 2.910 2.437 3.695 . 0 0 "[ . 1 . 2]" 2
387 1 49 LYS HA 1 49 LYS HG2 4.000 . 6.000 3.026 2.391 3.734 . 0 0 "[ . 1 . 2]" 2
388 1 64 LEU H 1 65 GLN H 4.000 . 5.000 2.674 2.569 2.721 . 0 0 "[ . 1 . 2]" 2
389 1 65 GLN H 1 66 GLU H 4.000 . 5.000 2.661 2.593 2.733 . 0 0 "[ . 1 . 2]" 2
390 1 65 GLN H 1 65 GLN QG 4.000 . 5.000 2.768 2.207 3.953 . 0 0 "[ . 1 . 2]" 2
391 1 67 ILE H 1 68 HIS H 4.000 . 5.000 4.298 2.662 4.543 . 0 0 "[ . 1 . 2]" 2
392 1 68 HIS H 1 69 ALA H 4.000 . 5.000 2.529 1.686 4.286 0.114 6 0 "[ . 1 . 2]" 2
393 1 68 HIS H 1 68 HIS HB3 4.000 . 5.000 3.172 2.518 4.141 . 0 0 "[ . 1 . 2]" 2
394 1 29 TYR H 1 29 TYR HB3 4.000 . 5.000 3.228 2.476 4.128 . 0 0 "[ . 1 . 2]" 2
395 1 29 TYR H 1 29 TYR HB2 4.000 . 5.000 2.792 2.305 3.746 . 0 0 "[ . 1 . 2]" 2
396 1 28 SER H 1 29 TYR H 4.000 . 5.000 4.166 2.401 4.641 . 0 0 "[ . 1 . 2]" 2
397 1 29 TYR H 1 30 GLY H 4.000 . 5.000 3.735 1.726 4.656 0.074 17 0 "[ . 1 . 2]" 2
398 1 31 CYS H 1 31 CYS HB3 4.000 . 6.000 2.972 2.405 4.094 . 0 0 "[ . 1 . 2]" 2
399 1 31 CYS H 1 31 CYS HB2 4.000 . 6.000 3.249 2.392 3.921 . 0 0 "[ . 1 . 2]" 2
400 1 31 CYS H 1 32 GLY H 4.000 . 5.000 4.310 2.657 4.649 . 0 0 "[ . 1 . 2]" 2
401 1 33 GLN H 1 33 GLN QG 4.000 . 5.000 3.050 2.010 4.052 . 0 0 "[ . 1 . 2]" 2
402 1 32 GLY H 1 33 GLN H 4.000 . 5.000 3.363 2.458 4.585 . 0 0 "[ . 1 . 2]" 2
403 1 46 GLY QA 1 78 GLU QG 4.000 . 6.000 5.090 3.627 6.044 0.044 18 0 "[ . 1 . 2]" 2
404 1 46 GLY H 1 78 GLU QG 4.000 . 5.000 3.663 2.062 4.952 . 0 0 "[ . 1 . 2]" 2
405 1 45 GLN QG 1 78 GLU QB 4.000 . 6.000 5.301 3.835 6.074 0.074 15 0 "[ . 1 . 2]" 2
406 1 56 VAL MG2 1 72 CYS HA 4.000 . 6.000 5.264 3.708 6.088 0.088 17 0 "[ . 1 . 2]" 2
407 1 56 VAL QG 1 72 CYS QB 4.000 . 4.000 2.746 1.852 3.446 . 0 0 "[ . 1 . 2]" 2
408 1 53 SER HA 1 72 CYS QB 4.000 . 6.000 4.969 3.648 5.977 . 0 0 "[ . 1 . 2]" 2
409 1 53 SER QB 1 72 CYS QB 4.000 . 6.000 5.722 4.570 6.166 0.166 17 0 "[ . 1 . 2]" 2
410 1 52 ARG HB2 1 74 CYS QB 4.000 . 4.500 3.882 2.462 4.614 0.114 10 0 "[ . 1 . 2]" 2
411 1 44 PHE HB2 1 52 ARG HA 4.000 . 6.000 5.899 4.830 6.370 0.370 19 0 "[ . 1 . 2]" 2
412 1 44 PHE HA 1 52 ARG HD3 4.000 . 6.000 3.019 1.866 4.416 . 0 0 "[ . 1 . 2]" 2
413 1 16 ILE QG 1 59 ALA MB 4.000 . 6.000 3.465 2.199 4.563 . 0 0 "[ . 1 . 2]" 2
414 1 16 ILE MG 1 56 VAL HA 4.000 . 6.000 4.773 2.664 6.141 0.141 15 0 "[ . 1 . 2]" 2
415 1 16 ILE HB 1 60 VAL QG 4.000 . 6.000 4.795 3.820 6.034 0.034 2 0 "[ . 1 . 2]" 2
416 1 47 LYS H 1 47 LYS QE 4.000 . 6.000 5.323 4.837 5.912 . 0 0 "[ . 1 . 2]" 2
417 1 47 LYS H 1 47 LYS QG 4.000 . 5.000 3.103 2.705 4.147 . 0 0 "[ . 1 . 2]" 2
418 1 47 LYS HA 1 47 LYS QD 4.000 . 6.000 3.644 1.901 4.160 . 0 0 "[ . 1 . 2]" 2
419 1 45 GLN H 1 46 GLY H 4.000 . 5.000 4.406 4.113 4.548 . 0 0 "[ . 1 . 2]" 2
420 1 46 GLY H 1 47 LYS H 4.000 . 5.000 2.506 2.434 2.751 . 0 0 "[ . 1 . 2]" 2
421 1 47 LYS H 1 48 SER H 4.000 . 5.000 4.335 2.623 4.449 . 0 0 "[ . 1 . 2]" 2
422 1 50 LEU H 1 51 MET H 4.000 . 5.000 2.673 2.570 2.720 . 0 0 "[ . 1 . 2]" 2
423 1 26 ASP HA 1 35 PHE HA 4.000 . 5.000 3.405 2.212 4.950 . 0 0 "[ . 1 . 2]" 2
424 1 5 GLU HG3 1 26 ASP H 4.000 . 6.000 4.934 3.584 5.774 . 0 0 "[ . 1 . 2]" 2
425 1 5 GLU HG2 1 25 THR HA 4.000 . 6.000 5.132 3.127 6.065 0.065 11 0 "[ . 1 . 2]" 2
426 1 47 LYS HB3 1 52 ARG HD2 4.000 . 6.000 5.479 3.523 6.235 0.235 13 0 "[ . 1 . 2]" 2
427 1 47 LYS HB3 1 52 ARG HA 4.000 . 6.000 4.795 3.582 5.655 . 0 0 "[ . 1 . 2]" 2
428 1 16 ILE MD 1 43 PHE HB2 4.000 . 6.000 4.911 4.228 5.288 . 0 0 "[ . 1 . 2]" 2
429 1 5 GLU HG3 1 24 VAL HB 4.000 . 6.000 3.717 1.874 5.511 . 0 0 "[ . 1 . 2]" 2
430 1 15 ALA HA 1 59 ALA MB 4.000 . 6.000 3.398 1.763 4.511 0.037 17 0 "[ . 1 . 2]" 2
431 1 75 TYR HA 1 79 GLU H 4.000 . 5.000 4.327 3.704 4.954 . 0 0 "[ . 1 . 2]" 2
432 1 75 TYR HB3 1 79 GLU H 4.000 . 5.000 4.836 3.977 5.172 0.172 10 0 "[ . 1 . 2]" 2
433 1 76 THR H 1 79 GLU H 4.000 . 5.000 3.354 2.738 3.941 . 0 0 "[ . 1 . 2]" 2
434 1 76 THR H 1 79 GLU QG 4.000 . 5.000 3.846 2.631 5.209 0.209 6 0 "[ . 1 . 2]" 2
435 1 76 THR H 1 79 GLU QB 4.000 . 5.000 4.141 3.162 5.080 0.080 6 0 "[ . 1 . 2]" 2
436 1 45 GLN QG 1 76 THR MG 4.000 . 4.000 3.102 2.117 4.070 0.070 6 0 "[ . 1 . 2]" 2
437 1 45 GLN H 1 76 THR MG 4.000 . 5.000 3.869 2.832 5.093 0.093 9 0 "[ . 1 . 2]" 2
438 1 43 PHE QB 1 52 ARG QB 4.000 . 6.000 4.874 3.469 6.031 0.031 19 0 "[ . 1 . 2]" 2
439 1 45 GLN H 1 47 LYS H 4.000 . 5.000 4.123 3.597 4.781 . 0 0 "[ . 1 . 2]" 2
440 1 45 GLN HB2 1 47 LYS H 4.000 . 6.000 5.246 4.977 5.685 . 0 0 "[ . 1 . 2]" 2
441 1 47 LYS HB3 1 51 MET H 4.000 . 6.000 4.817 4.280 5.937 . 0 0 "[ . 1 . 2]" 2
442 1 47 LYS HE2 1 51 MET HB3 4.000 . 6.000 4.730 2.647 5.947 . 0 0 "[ . 1 . 2]" 2
443 1 47 LYS HB3 1 51 MET HB3 4.000 . 6.000 3.296 2.326 4.762 . 0 0 "[ . 1 . 2]" 2
444 1 47 LYS HB3 1 51 MET HG3 4.000 . 6.000 4.140 2.495 6.121 0.121 12 0 "[ . 1 . 2]" 2
445 1 47 LYS QE 1 51 MET HG3 4.000 . 6.000 5.419 3.878 6.228 0.228 13 0 "[ . 1 . 2]" 2
446 1 43 PHE QB 1 52 ARG HD2 4.000 . 4.000 3.815 2.928 4.252 0.252 19 0 "[ . 1 . 2]" 2
447 1 41 SER QB 1 43 PHE HB2 4.000 . 4.000 3.487 2.973 4.184 0.184 3 0 "[ . 1 . 2]" 2
448 1 11 ARG HG3 1 60 VAL MG1 4.000 . 4.000 3.803 2.561 4.204 0.204 3 0 "[ . 1 . 2]" 2
449 1 3 VAL H 1 66 GLU HG2 4.000 . 10.000 6.084 4.001 8.351 . 0 0 "[ . 1 . 2]" 2
450 1 35 PHE H 1 70 PHE HA 4.000 . 4.500 3.028 2.125 4.397 . 0 0 "[ . 1 . 2]" 2
451 1 34 SER HA 1 70 PHE HA 4.000 . 5.000 4.195 3.155 5.205 0.205 19 0 "[ . 1 . 2]" 2
452 1 20 TYR H 1 41 SER HA 4.000 . 6.000 4.029 2.666 6.078 0.078 18 0 "[ . 1 . 2]" 2
453 1 20 TYR HB2 1 41 SER HA 4.000 . 6.000 4.243 2.430 6.145 0.145 5 0 "[ . 1 . 2]" 2
454 1 19 VAL HB 1 41 SER QB 4.000 . 6.000 3.015 1.759 5.784 0.041 3 0 "[ . 1 . 2]" 2
455 1 19 VAL HB 1 41 SER HA 4.000 . 6.000 4.389 3.082 6.065 0.065 4 0 "[ . 1 . 2]" 2
456 1 35 PHE HA 1 70 PHE HA 4.000 . 5.000 4.336 2.110 5.564 0.564 6 1 "[ .+ 1 . 2]" 2
457 1 25 THR HB 1 36 ASP H 4.000 . 5.000 4.190 3.337 5.003 0.003 13 0 "[ . 1 . 2]" 2
458 1 40 VAL HA 1 75 TYR H 4.000 . 5.000 2.785 2.287 3.410 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 30
_Distance_constraint_stats_list.Viol_count 119
_Distance_constraint_stats_list.Viol_total 185.168
_Distance_constraint_stats_list.Viol_max 0.378
_Distance_constraint_stats_list.Viol_rms 0.0439
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0154
_Distance_constraint_stats_list.Viol_average_violations_only 0.0778
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 1.220 0.105 2 0 "[ . 1 . 2]"
1 9 ARG 0.278 0.068 2 0 "[ . 1 . 2]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ILE 2.443 0.234 9 0 "[ . 1 . 2]"
1 13 GLU 0.278 0.068 2 0 "[ . 1 . 2]"
1 16 ILE 1.223 0.234 9 0 "[ . 1 . 2]"
1 21 HIS 0.501 0.303 11 0 "[ . 1 . 2]"
1 23 ILE 0.371 0.080 7 0 "[ . 1 . 2]"
1 25 THR 3.029 0.378 16 0 "[ . 1 . 2]"
1 36 ASP 3.029 0.378 16 0 "[ . 1 . 2]"
1 37 ILE 0.417 0.207 16 0 "[ . 1 . 2]"
1 38 VAL 0.371 0.080 7 0 "[ . 1 . 2]"
1 39 VAL 0.390 0.107 9 0 "[ . 1 . 2]"
1 40 VAL 0.501 0.303 11 0 "[ . 1 . 2]"
1 41 SER 1.545 0.275 8 0 "[ . 1 . 2]"
1 44 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.417 0.207 16 0 "[ . 1 . 2]"
1 73 LYS 0.390 0.107 9 0 "[ . 1 . 2]"
1 75 TYR 1.545 0.275 8 0 "[ . 1 . 2]"
1 77 GLU 0.285 0.195 6 0 "[ . 1 . 2]"
1 80 TRP 0.285 0.195 6 0 "[ . 1 . 2]"
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 23 ILE O 1 38 VAL H 2.000 . 2.500 2.034 1.801 2.537 0.037 5 0 "[ . 1 . 2]" 3
2 1 23 ILE O 1 38 VAL N 3.000 2.800 3.500 2.894 2.720 3.361 0.080 7 0 "[ . 1 . 2]" 3
3 1 21 HIS O 1 40 VAL H 2.000 . 2.500 2.317 2.003 2.803 0.303 11 0 "[ . 1 . 2]" 3
4 1 21 HIS O 1 40 VAL N 3.000 2.800 3.500 3.182 2.896 3.416 . 0 0 "[ . 1 . 2]" 3
5 1 23 ILE H 1 38 VAL O 2.000 . 2.500 2.154 1.911 2.517 0.017 11 0 "[ . 1 . 2]" 3
6 1 23 ILE N 1 38 VAL O 3.000 2.800 3.500 2.993 2.755 3.334 0.045 10 0 "[ . 1 . 2]" 3
7 1 25 THR H 1 36 ASP O 2.000 . 2.500 2.109 1.781 2.550 0.050 17 0 "[ . 1 . 2]" 3
8 1 25 THR N 1 36 ASP O 3.000 2.800 3.500 2.915 2.628 3.406 0.172 9 0 "[ . 1 . 2]" 3
9 1 39 VAL O 1 75 TYR H 2.000 . 3.000 2.343 1.974 2.932 . 0 0 "[ . 1 . 2]" 3
10 1 39 VAL O 1 75 TYR N 3.000 2.800 4.000 3.234 2.881 3.786 . 0 0 "[ . 1 . 2]" 3
11 1 8 LEU O 1 12 ILE H 2.000 . 3.000 1.802 1.729 1.862 0.071 2 0 "[ . 1 . 2]" 3
12 1 8 LEU O 1 12 ILE N 3.000 2.800 4.000 2.751 2.695 2.817 0.105 2 0 "[ . 1 . 2]" 3
13 1 12 ILE O 1 16 ILE H 2.000 . 3.000 2.245 2.078 2.484 . 0 0 "[ . 1 . 2]" 3
14 1 12 ILE O 1 16 ILE N 3.000 2.800 4.000 2.764 2.566 3.019 0.234 9 0 "[ . 1 . 2]" 3
15 1 25 THR O 1 36 ASP H 2.000 . 2.500 2.289 1.807 2.878 0.378 16 0 "[ . 1 . 2]" 3
16 1 25 THR O 1 36 ASP N 3.000 2.800 3.500 2.977 2.650 3.607 0.150 15 0 "[ . 1 . 2]" 3
17 1 39 VAL H 1 73 LYS O 2.000 . 2.500 2.080 1.721 2.488 0.079 9 0 "[ . 1 . 2]" 3
18 1 39 VAL N 1 73 LYS O 3.000 2.800 3.500 3.001 2.693 3.342 0.107 9 0 "[ . 1 . 2]" 3
19 1 7 GLY O 1 11 ARG H 2.000 . 3.000 2.115 1.948 2.421 . 0 0 "[ . 1 . 2]" 3
20 1 7 GLY O 1 11 ARG N 3.000 2.800 4.000 3.030 2.843 3.357 . 0 0 "[ . 1 . 2]" 3
21 1 9 ARG O 1 13 GLU H 2.000 . 3.000 1.912 1.807 2.040 . 0 0 "[ . 1 . 2]" 3
22 1 9 ARG O 1 13 GLU N 3.000 2.800 4.000 2.843 2.732 2.977 0.068 2 0 "[ . 1 . 2]" 3
23 1 77 GLU O 1 80 TRP H 2.000 . 3.000 2.324 2.030 3.195 0.195 6 0 "[ . 1 . 2]" 3
24 1 77 GLU O 1 80 TRP N 3.000 2.800 4.000 3.131 2.906 4.090 0.090 6 0 "[ . 1 . 2]" 3
25 1 41 SER H 1 75 TYR O 2.000 . 3.000 3.029 2.474 3.275 0.275 8 0 "[ . 1 . 2]" 3
26 1 41 SER N 1 75 TYR O 3.000 2.800 4.000 3.736 3.181 4.043 0.043 8 0 "[ . 1 . 2]" 3
27 1 41 SER O 1 44 PHE H 2.000 . 3.000 2.401 2.138 2.672 . 0 0 "[ . 1 . 2]" 3
28 1 41 SER O 1 44 PHE N 3.000 2.800 4.000 3.361 3.065 3.641 . 0 0 "[ . 1 . 2]" 3
29 1 37 ILE H 1 71 SER O 2.000 . 3.000 2.378 1.835 3.207 0.207 16 0 "[ . 1 . 2]" 3
30 1 37 ILE N 1 71 SER O 3.000 2.800 4.000 3.252 2.773 3.873 0.027 18 0 "[ . 1 . 2]" 3
stop_
save_
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