NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
374631 |
1eih   |
4590 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1eih
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 694
_Distance_constraint_stats_list.Viol_count 800
_Distance_constraint_stats_list.Viol_total 895.503
_Distance_constraint_stats_list.Viol_max 0.299
_Distance_constraint_stats_list.Viol_rms 0.0170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0560
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 VAL 1.003 0.299 10 0 "[ . 1 . 2]"
1 3 ILE 1.471 0.210 9 0 "[ . 1 . 2]"
1 4 PRO 0.432 0.079 15 0 "[ . 1 . 2]"
1 5 SER 0.432 0.079 15 0 "[ . 1 . 2]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 CYS 0.066 0.046 20 0 "[ . 1 . 2]"
1 8 CYS 0.066 0.046 20 0 "[ . 1 . 2]"
1 9 MET 0.030 0.030 12 0 "[ . 1 . 2]"
1 10 PHE 0.030 0.030 12 0 "[ . 1 . 2]"
1 11 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 1.227 0.138 15 0 "[ . 1 . 2]"
1 13 SER 0.018 0.012 20 0 "[ . 1 . 2]"
1 14 LYS 0.035 0.017 19 0 "[ . 1 . 2]"
1 15 ARG 1.791 0.150 20 0 "[ . 1 . 2]"
1 16 ILE 2.675 0.154 1 0 "[ . 1 . 2]"
1 17 PRO 2.514 0.154 1 0 "[ . 1 . 2]"
1 18 GLU 0.029 0.021 10 0 "[ . 1 . 2]"
1 19 ASN 0.008 0.005 6 0 "[ . 1 . 2]"
1 20 ARG 2.164 0.112 10 0 "[ . 1 . 2]"
1 21 VAL 0.701 0.045 17 0 "[ . 1 . 2]"
1 22 VAL 3.989 0.196 12 0 "[ . 1 . 2]"
1 23 SER 0.746 0.060 8 0 "[ . 1 . 2]"
1 24 TYR 3.003 0.131 13 0 "[ . 1 . 2]"
1 25 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 1.770 0.175 4 0 "[ . 1 . 2]"
1 27 SER 1.823 0.105 17 0 "[ . 1 . 2]"
1 28 SER 0.050 0.020 13 0 "[ . 1 . 2]"
1 29 ARG 0.055 0.055 16 0 "[ . 1 . 2]"
1 30 SER 0.055 0.055 16 0 "[ . 1 . 2]"
1 31 THR 0.168 0.062 12 0 "[ . 1 . 2]"
1 32 CYS 0.199 0.062 12 0 "[ . 1 . 2]"
1 33 LEU 1.828 0.090 18 0 "[ . 1 . 2]"
1 34 LYS 0.505 0.062 14 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.065 0.021 10 0 "[ . 1 . 2]"
1 37 VAL 3.369 0.175 4 0 "[ . 1 . 2]"
1 38 ILE 0.288 0.105 17 0 "[ . 1 . 2]"
1 39 PHE 1.598 0.131 13 0 "[ . 1 . 2]"
1 40 THR 1.621 0.088 13 0 "[ . 1 . 2]"
1 41 THR 1.409 0.068 12 0 "[ . 1 . 2]"
1 42 LYS 0.261 0.052 15 0 "[ . 1 . 2]"
1 43 LYS 0.412 0.071 7 0 "[ . 1 . 2]"
1 44 GLY 1.606 0.083 5 0 "[ . 1 . 2]"
1 45 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLN 0.682 0.066 10 0 "[ . 1 . 2]"
1 47 SER 1.103 0.138 15 0 "[ . 1 . 2]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 4.158 0.187 4 0 "[ . 1 . 2]"
1 50 ASP 2.591 0.187 4 0 "[ . 1 . 2]"
1 51 PRO 0.446 0.072 11 0 "[ . 1 . 2]"
1 52 LYS 0.068 0.029 19 0 "[ . 1 . 2]"
1 53 GLN 0.066 0.029 19 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 TRP 3.355 0.150 20 0 "[ . 1 . 2]"
1 56 VAL 2.283 0.177 4 0 "[ . 1 . 2]"
1 57 GLN 1.536 0.099 16 0 "[ . 1 . 2]"
1 58 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 TYR 1.880 0.077 5 0 "[ . 1 . 2]"
1 60 MET 5.675 0.177 4 0 "[ . 1 . 2]"
1 61 LYS 0.022 0.014 15 0 "[ . 1 . 2]"
1 62 ASN 0.971 0.072 4 0 "[ . 1 . 2]"
1 63 LEU 1.976 0.072 2 0 "[ . 1 . 2]"
1 64 ASP 0.636 0.070 8 0 "[ . 1 . 2]"
1 65 ALA 0.012 0.008 9 0 "[ . 1 . 2]"
1 66 LYS 0.616 0.074 4 0 "[ . 1 . 2]"
1 67 GLN 0.637 0.074 4 0 "[ . 1 . 2]"
1 68 LYS 0.021 0.021 18 0 "[ . 1 . 2]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.262 0.075 11 0 "[ . 1 . 2]"
1 71 SER 0.262 0.075 11 0 "[ . 1 . 2]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ARG 0.000 0.000 . 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 VAL HA 1 2 VAL HB 2.700 . 2.700 2.532 2.426 2.999 0.299 10 0 "[ . 1 . 2]" 1
2 1 3 ILE HA 1 3 ILE HB 2.700 . 2.700 2.422 2.382 2.444 . 0 0 "[ . 1 . 2]" 1
3 1 3 ILE HA 1 3 ILE MD 3.300 . 4.800 3.620 2.604 3.885 . 0 0 "[ . 1 . 2]" 1
4 1 3 ILE HA 1 3 ILE QG 3.300 . 4.300 2.496 2.409 2.723 . 0 0 "[ . 1 . 2]" 1
5 1 3 ILE HA 1 3 ILE MG 2.700 . 4.200 3.189 3.164 3.203 . 0 0 "[ . 1 . 2]" 1
6 1 4 PRO QB 1 4 PRO QD 3.300 . 5.300 2.898 2.774 2.999 . 0 0 "[ . 1 . 2]" 1
7 1 6 PRO HA 1 6 PRO QG 2.700 . 3.700 3.498 3.486 3.511 . 0 0 "[ . 1 . 2]" 1
8 1 12 VAL HA 1 12 VAL HB 2.700 . 2.700 2.551 2.529 2.584 . 0 0 "[ . 1 . 2]" 1
9 1 12 VAL HA 1 12 VAL QG 2.700 . 5.200 2.240 2.158 2.293 . 0 0 "[ . 1 . 2]" 1
10 1 12 VAL HA 1 12 VAL MG1 3.300 . 4.800 2.289 2.195 2.352 . 0 0 "[ . 1 . 2]" 1
11 1 14 LYS QE 1 14 LYS QG 2.700 . 4.700 2.067 1.915 2.256 . 0 0 "[ . 1 . 2]" 1
12 1 15 ARG HA 1 15 ARG QG 2.700 . 3.700 3.006 2.140 3.345 . 0 0 "[ . 1 . 2]" 1
13 1 15 ARG QB 1 15 ARG QD 3.300 . 5.300 2.015 1.887 2.279 . 0 0 "[ . 1 . 2]" 1
14 1 17 PRO HA 1 17 PRO QD 3.300 . 4.300 3.519 3.502 3.527 . 0 0 "[ . 1 . 2]" 1
15 1 17 PRO HA 1 17 PRO QG 2.700 . 3.700 3.512 3.508 3.516 . 0 0 "[ . 1 . 2]" 1
16 1 17 PRO QB 1 17 PRO QD 3.300 . 5.300 2.996 2.969 3.005 . 0 0 "[ . 1 . 2]" 1
17 1 18 GLU HA 1 18 GLU QG 2.700 . 3.700 2.406 1.999 3.319 . 0 0 "[ . 1 . 2]" 1
18 1 21 VAL HA 1 21 VAL MG2 2.700 . 4.200 2.385 2.323 2.458 . 0 0 "[ . 1 . 2]" 1
19 1 21 VAL HA 1 21 VAL MG1 2.700 . 4.200 2.312 2.176 2.395 . 0 0 "[ . 1 . 2]" 1
20 1 22 VAL HA 1 22 VAL HB 2.700 . 2.700 2.541 2.501 2.627 . 0 0 "[ . 1 . 2]" 1
21 1 22 VAL HA 1 22 VAL MG2 2.700 . 4.200 3.205 3.187 3.211 . 0 0 "[ . 1 . 2]" 1
22 1 22 VAL HA 1 22 VAL MG1 2.700 . 4.200 2.239 2.101 2.373 . 0 0 "[ . 1 . 2]" 1
23 1 26 LEU QB 1 26 LEU MD2 2.700 . 5.200 2.253 2.198 2.282 . 0 0 "[ . 1 . 2]" 1
24 1 26 LEU QB 1 26 LEU MD1 2.700 . 5.200 2.082 2.055 2.106 . 0 0 "[ . 1 . 2]" 1
25 1 29 ARG HA 1 29 ARG QG 3.300 . 4.300 2.252 1.944 3.333 . 0 0 "[ . 1 . 2]" 1
26 1 31 THR HA 1 31 THR MG 2.700 . 4.200 2.525 2.045 3.204 . 0 0 "[ . 1 . 2]" 1
27 1 33 LEU QB 1 33 LEU QD 2.700 . 6.200 1.830 1.737 2.018 0.063 6 0 "[ . 1 . 2]" 1
28 1 34 LYS QE 1 34 LYS QG 2.700 . 4.700 2.205 2.041 2.546 . 0 0 "[ . 1 . 2]" 1
29 1 37 VAL HA 1 37 VAL MG1 2.700 . 4.200 2.209 2.127 2.312 . 0 0 "[ . 1 . 2]" 1
30 1 37 VAL HA 1 37 VAL MG2 2.700 . 4.200 2.410 2.355 2.467 . 0 0 "[ . 1 . 2]" 1
31 1 37 VAL MG1 1 37 VAL MG2 2.700 . 5.700 1.955 1.850 2.033 . 0 0 "[ . 1 . 2]" 1
32 1 38 ILE HA 1 38 ILE QG 2.700 . 3.700 2.207 2.143 2.265 . 0 0 "[ . 1 . 2]" 1
33 1 40 THR HA 1 40 THR MG 2.700 . 4.200 2.460 2.412 2.551 . 0 0 "[ . 1 . 2]" 1
34 1 41 THR HA 1 41 THR MG 2.700 . 4.200 2.122 1.970 2.262 . 0 0 "[ . 1 . 2]" 1
35 1 42 LYS HA 1 42 LYS QG 2.700 . 3.700 2.765 1.916 3.334 . 0 0 "[ . 1 . 2]" 1
36 1 42 LYS QB 1 42 LYS QE 2.700 . 4.700 3.256 2.279 3.584 . 0 0 "[ . 1 . 2]" 1
37 1 43 LYS QB 1 43 LYS QE 3.300 . 5.300 3.357 2.632 3.762 . 0 0 "[ . 1 . 2]" 1
38 1 46 GLN HA 1 46 GLN QG 2.700 . 3.700 2.185 1.941 2.453 . 0 0 "[ . 1 . 2]" 1
39 1 53 GLN HA 1 53 GLN QG 2.700 . 3.700 2.428 1.951 2.812 . 0 0 "[ . 1 . 2]" 1
40 1 54 GLU HA 1 54 GLU QG 2.700 . 3.700 2.320 1.965 3.313 . 0 0 "[ . 1 . 2]" 1
41 1 56 VAL HA 1 56 VAL MG2 2.700 . 4.200 2.307 2.216 2.431 . 0 0 "[ . 1 . 2]" 1
42 1 56 VAL HA 1 56 VAL MG1 2.700 . 4.200 2.307 2.197 2.424 . 0 0 "[ . 1 . 2]" 1
43 1 56 VAL MG1 1 56 VAL MG2 2.700 . 5.700 1.931 1.838 2.031 . 0 0 "[ . 1 . 2]" 1
44 1 57 GLN HA 1 57 GLN QG 2.700 . 3.700 2.087 1.925 2.277 . 0 0 "[ . 1 . 2]" 1
45 1 58 ARG HA 1 58 ARG QG 2.700 . 3.700 2.500 2.429 2.565 . 0 0 "[ . 1 . 2]" 1
46 1 60 MET HA 1 60 MET QG 2.700 . 3.700 2.205 2.013 3.372 . 0 0 "[ . 1 . 2]" 1
47 1 61 LYS QB 1 61 LYS QD 2.700 . 4.700 2.061 1.893 2.318 . 0 0 "[ . 1 . 2]" 1
48 1 63 LEU HA 1 63 LEU MD2 2.700 . 4.200 2.439 1.938 2.735 . 0 0 "[ . 1 . 2]" 1
49 1 63 LEU HA 1 63 LEU MD1 3.300 . 4.800 3.684 3.640 3.759 . 0 0 "[ . 1 . 2]" 1
50 1 63 LEU MD1 1 63 LEU MD2 2.700 . 5.700 1.979 1.849 2.083 . 0 0 "[ . 1 . 2]" 1
51 1 63 LEU HA 1 63 LEU HG 2.700 . 2.700 2.272 2.177 2.546 . 0 0 "[ . 1 . 2]" 1
52 1 67 GLN HA 1 67 GLN QG 2.700 . 3.700 2.169 1.943 2.383 . 0 0 "[ . 1 . 2]" 1
53 1 68 LYS HA 1 68 LYS QG 3.300 . 4.300 2.273 1.974 3.328 . 0 0 "[ . 1 . 2]" 1
54 1 69 LYS HA 1 69 LYS QG 3.300 . 4.300 2.457 1.928 3.310 . 0 0 "[ . 1 . 2]" 1
55 1 60 MET HA 1 60 MET ME 2.700 . 4.200 3.359 3.254 3.582 . 0 0 "[ . 1 . 2]" 1
56 1 33 LEU HA 1 33 LEU QD 2.700 . 5.200 2.604 1.736 3.427 0.064 7 0 "[ . 1 . 2]" 1
57 1 3 ILE MD 1 3 ILE MG 2.700 . 5.700 2.000 1.590 3.108 0.210 9 0 "[ . 1 . 2]" 1
58 1 15 ARG HA 1 15 ARG QD 3.300 . 4.300 3.833 3.592 3.940 . 0 0 "[ . 1 . 2]" 1
59 1 16 ILE HB 1 16 ILE MD 2.700 . 4.200 2.479 2.454 2.503 . 0 0 "[ . 1 . 2]" 1
60 1 16 ILE HA 1 16 ILE QG 2.700 . 3.700 2.817 2.726 2.869 . 0 0 "[ . 1 . 2]" 1
61 1 26 LEU HA 1 26 LEU MD2 2.700 . 4.200 1.848 1.804 1.873 . 0 0 "[ . 1 . 2]" 1
62 1 38 ILE HB 1 38 ILE MD 2.700 . 4.200 2.164 2.042 2.224 . 0 0 "[ . 1 . 2]" 1
63 1 38 ILE HA 1 38 ILE MD 3.300 . 4.800 3.170 2.903 3.322 . 0 0 "[ . 1 . 2]" 1
64 1 38 ILE QG 1 38 ILE MG 2.700 . 5.200 2.013 1.933 2.097 . 0 0 "[ . 1 . 2]" 1
65 1 38 ILE HA 1 38 ILE MG 3.300 . 4.800 2.428 2.311 2.495 . 0 0 "[ . 1 . 2]" 1
66 1 3 ILE HA 1 4 PRO QD 2.700 . 3.700 2.069 1.837 2.398 . 0 0 "[ . 1 . 2]" 1
67 1 3 ILE MG 1 4 PRO QD 2.700 . 5.200 3.870 3.758 3.983 . 0 0 "[ . 1 . 2]" 1
68 1 5 SER HA 1 6 PRO QD 2.700 . 3.700 2.607 2.126 3.490 . 0 0 "[ . 1 . 2]" 1
69 1 16 ILE HA 1 17 PRO QD 2.700 . 3.700 1.993 1.956 2.021 . 0 0 "[ . 1 . 2]" 1
70 1 16 ILE MG 1 17 PRO QD 2.700 . 5.200 1.674 1.646 1.717 0.154 1 0 "[ . 1 . 2]" 1
71 1 22 VAL HB 1 23 SER QB 3.300 . 4.300 3.366 3.212 3.428 . 0 0 "[ . 1 . 2]" 1
72 1 22 VAL MG2 1 23 SER QB 3.300 . 5.800 2.657 2.495 3.135 . 0 0 "[ . 1 . 2]" 1
73 1 22 VAL MG1 1 23 SER QB 3.300 . 5.800 4.524 4.470 4.537 . 0 0 "[ . 1 . 2]" 1
74 1 30 SER QB 1 31 THR MG 3.300 . 5.800 3.433 2.393 4.266 . 0 0 "[ . 1 . 2]" 1
75 1 37 VAL MG1 1 38 ILE HA 5.000 . 6.500 3.935 3.787 4.150 . 0 0 "[ . 1 . 2]" 1
76 1 40 THR MG 1 41 THR HA 3.300 . 4.800 3.856 3.781 3.914 . 0 0 "[ . 1 . 2]" 1
77 1 15 ARG HA 1 16 ILE MD 5.000 . 6.500 4.410 4.272 4.712 . 0 0 "[ . 1 . 2]" 1
78 1 17 PRO HA 1 18 GLU HA 5.000 . 5.000 4.541 4.516 4.565 . 0 0 "[ . 1 . 2]" 1
79 1 56 VAL MG1 1 57 GLN HA 3.300 . 4.800 3.669 3.516 3.850 . 0 0 "[ . 1 . 2]" 1
80 1 2 VAL HA 1 3 ILE MG 2.700 . 4.200 3.418 3.236 3.493 . 0 0 "[ . 1 . 2]" 1
81 1 37 VAL MG2 1 38 ILE MD 3.300 . 6.300 4.216 4.165 4.260 . 0 0 "[ . 1 . 2]" 1
82 1 18 GLU HA 1 21 VAL HB 2.700 . 2.700 2.588 2.359 2.721 0.021 10 0 "[ . 1 . 2]" 1
83 1 37 VAL MG1 1 39 PHE HA 5.000 . 6.500 4.221 4.056 4.367 . 0 0 "[ . 1 . 2]" 1
84 1 40 THR MG 1 44 GLY QA 2.700 . 5.200 3.381 3.018 3.628 . 0 0 "[ . 1 . 2]" 1
85 1 53 GLN QB 1 56 VAL MG2 2.700 . 5.200 2.559 2.274 2.821 . 0 0 "[ . 1 . 2]" 1
86 1 54 GLU HA 1 57 GLN QB 2.700 . 2.700 2.557 2.397 2.618 . 0 0 "[ . 1 . 2]" 1
87 1 55 TRP HA 1 58 ARG QB 2.700 . 3.700 1.941 1.872 2.034 . 0 0 "[ . 1 . 2]" 1
88 1 56 VAL HA 1 59 TYR QB 2.700 . 3.700 2.675 2.425 2.901 . 0 0 "[ . 1 . 2]" 1
89 1 59 TYR HA 1 62 ASN QB 2.700 . 3.700 3.144 2.878 3.382 . 0 0 "[ . 1 . 2]" 1
90 1 62 ASN HA 1 65 ALA MB 2.700 . 4.200 2.728 2.318 3.107 . 0 0 "[ . 1 . 2]" 1
91 1 56 VAL MG2 1 60 MET ME 5.000 . 8.000 4.842 3.686 5.664 . 0 0 "[ . 1 . 2]" 1
92 1 56 VAL MG1 1 60 MET ME 2.700 . 5.700 2.745 1.623 3.588 0.177 4 0 "[ . 1 . 2]" 1
93 1 18 GLU HA 1 21 VAL MG2 2.700 . 4.200 2.748 2.582 2.852 . 0 0 "[ . 1 . 2]" 1
94 1 53 GLN HA 1 56 VAL MG2 5.000 . 6.500 5.139 4.936 5.288 . 0 0 "[ . 1 . 2]" 1
95 1 4 PRO QD 1 6 PRO QD 2.700 . 4.700 2.935 2.076 3.625 . 0 0 "[ . 1 . 2]" 1
96 1 12 VAL QG 1 16 ILE MD 2.700 . 6.700 2.925 2.752 3.050 . 0 0 "[ . 1 . 2]" 1
97 1 55 TRP HA 1 58 ARG QG 3.300 . 4.300 3.897 3.838 4.006 . 0 0 "[ . 1 . 2]" 1
98 1 55 TRP HA 1 58 ARG QD 2.700 . 3.700 2.645 2.481 2.925 . 0 0 "[ . 1 . 2]" 1
99 1 61 LYS HA 1 64 ASP QB 2.700 . 3.700 3.058 2.799 3.369 . 0 0 "[ . 1 . 2]" 1
100 1 65 ALA HA 1 68 LYS QB 5.000 . 6.000 4.174 3.009 5.377 . 0 0 "[ . 1 . 2]" 1
101 1 21 VAL HA 1 41 THR HA 2.700 . 2.700 2.159 2.083 2.251 . 0 0 "[ . 1 . 2]" 1
102 1 24 TYR HA 1 37 VAL MG1 3.300 . 4.800 3.841 3.655 3.908 . 0 0 "[ . 1 . 2]" 1
103 1 24 TYR HA 1 39 PHE HA 2.700 . 2.700 1.885 1.825 2.037 . 0 0 "[ . 1 . 2]" 1
104 1 26 LEU HA 1 37 VAL HA 2.700 . 2.700 2.394 2.206 2.544 . 0 0 "[ . 1 . 2]" 1
105 1 26 LEU MD2 1 37 VAL MG1 3.300 . 6.300 2.130 1.952 2.396 . 0 0 "[ . 1 . 2]" 1
106 1 26 LEU MD2 1 37 VAL MG2 2.700 . 5.700 1.711 1.625 1.776 0.175 4 0 "[ . 1 . 2]" 1
107 1 37 VAL HB 1 56 VAL MG2 3.300 . 4.800 3.122 2.707 3.485 . 0 0 "[ . 1 . 2]" 1
108 1 37 VAL HB 1 56 VAL MG1 2.700 . 4.200 2.085 1.877 2.495 . 0 0 "[ . 1 . 2]" 1
109 1 21 VAL MG1 1 39 PHE HA 3.300 . 4.800 3.762 3.654 3.871 . 0 0 "[ . 1 . 2]" 1
110 1 22 VAL MG2 1 40 THR HB 2.700 . 4.200 2.614 2.282 2.849 . 0 0 "[ . 1 . 2]" 1
111 1 22 VAL MG1 1 40 THR HB 5.000 . 6.500 5.014 4.835 5.246 . 0 0 "[ . 1 . 2]" 1
112 1 22 VAL MG2 1 40 THR MG 2.700 . 5.700 2.340 1.934 2.569 . 0 0 "[ . 1 . 2]" 1
113 1 40 THR MG 1 46 GLN HA 3.300 . 4.800 3.485 3.267 3.718 . 0 0 "[ . 1 . 2]" 1
114 1 41 THR MG 1 45 GLN QB 2.700 . 5.200 3.391 3.154 3.673 . 0 0 "[ . 1 . 2]" 1
115 1 22 VAL MG2 1 42 LYS HA 2.700 . 4.200 3.160 2.769 3.343 . 0 0 "[ . 1 . 2]" 1
116 1 22 VAL MG1 1 42 LYS HA 2.700 . 4.200 2.081 1.943 2.433 . 0 0 "[ . 1 . 2]" 1
117 1 40 THR HA 1 46 GLN HA 2.700 . 2.700 2.021 1.910 2.166 . 0 0 "[ . 1 . 2]" 1
118 1 38 ILE HA 1 48 CYS HA 2.700 . 2.700 1.912 1.879 1.950 . 0 0 "[ . 1 . 2]" 1
119 1 49 GLY QA 1 56 VAL MG2 2.700 . 5.200 2.139 1.871 2.401 . 0 0 "[ . 1 . 2]" 1
120 1 49 GLY QA 1 56 VAL MG1 5.000 . 7.500 3.255 2.680 3.918 . 0 0 "[ . 1 . 2]" 1
121 1 12 VAL MG1 1 47 SER QB 2.700 . 5.200 1.821 1.662 2.236 0.138 15 0 "[ . 1 . 2]" 1
122 1 16 ILE MD 1 47 SER QB 2.700 . 5.200 3.251 2.506 3.762 . 0 0 "[ . 1 . 2]" 1
123 1 22 VAL MG2 1 41 THR HA 3.300 . 4.800 3.186 2.758 3.330 . 0 0 "[ . 1 . 2]" 1
124 1 22 VAL MG1 1 41 THR HA 3.300 . 4.800 3.645 3.469 3.799 . 0 0 "[ . 1 . 2]" 1
125 1 37 VAL MG2 1 51 PRO HA 2.700 . 4.200 3.070 2.679 3.243 . 0 0 "[ . 1 . 2]" 1
126 1 51 PRO HA 1 56 VAL MG2 3.300 . 4.800 3.399 2.989 3.632 . 0 0 "[ . 1 . 2]" 1
127 1 51 PRO HA 1 56 VAL MG1 2.700 . 4.200 2.510 2.066 2.766 . 0 0 "[ . 1 . 2]" 1
128 1 37 VAL MG1 1 60 MET ME 3.300 . 6.300 2.742 1.780 3.758 0.020 12 0 "[ . 1 . 2]" 1
129 1 37 VAL MG2 1 60 MET ME 2.700 . 5.700 2.657 1.817 3.636 . 0 0 "[ . 1 . 2]" 1
130 1 37 VAL MG1 1 56 VAL MG1 2.700 . 5.700 2.660 2.341 2.838 . 0 0 "[ . 1 . 2]" 1
131 1 26 LEU HG 1 37 VAL MG2 2.700 . 4.200 3.033 2.607 3.329 . 0 0 "[ . 1 . 2]" 1
132 1 37 VAL MG2 1 56 VAL MG1 2.700 . 5.700 2.003 1.858 2.209 . 0 0 "[ . 1 . 2]" 1
133 1 21 VAL MG1 1 41 THR HA 3.300 . 4.800 3.827 3.730 3.918 . 0 0 "[ . 1 . 2]" 1
134 1 12 VAL QG 1 49 GLY QA 2.700 . 6.200 1.963 1.769 2.149 0.031 14 0 "[ . 1 . 2]" 1
135 1 37 VAL MG2 1 51 PRO QB 2.700 . 5.200 2.605 2.292 2.845 . 0 0 "[ . 1 . 2]" 1
136 1 21 VAL HA 1 41 THR MG 2.700 . 4.200 3.168 2.835 3.337 . 0 0 "[ . 1 . 2]" 1
137 1 38 ILE MG 1 46 GLN QB 2.700 . 5.200 3.561 3.063 3.980 . 0 0 "[ . 1 . 2]" 1
138 1 38 ILE MG 1 48 CYS HA 2.700 . 4.200 3.238 3.037 3.429 . 0 0 "[ . 1 . 2]" 1
139 1 27 SER QB 1 38 ILE MD 2.700 . 5.200 1.881 1.695 2.273 0.105 17 0 "[ . 1 . 2]" 1
140 1 28 SER HA 1 35 ALA MB 3.300 . 4.800 3.039 2.440 3.733 . 0 0 "[ . 1 . 2]" 1
141 1 51 PRO HA 1 56 VAL HB 2.700 . 2.700 2.687 2.495 2.772 0.072 11 0 "[ . 1 . 2]" 1
142 1 26 LEU HA 1 37 VAL MG1 5.000 . 6.500 2.197 1.919 2.385 . 0 0 "[ . 1 . 2]" 1
143 1 26 LEU HA 1 37 VAL MG2 2.700 . 4.200 3.282 3.114 3.382 . 0 0 "[ . 1 . 2]" 1
144 1 38 ILE MD 1 48 CYS HA 5.000 . 6.500 3.897 3.435 4.197 . 0 0 "[ . 1 . 2]" 1
145 1 11 PHE HA 1 48 CYS QB 3.300 . 4.300 2.358 1.970 2.880 . 0 0 "[ . 1 . 2]" 1
146 1 23 SER HA 1 63 LEU MD2 2.700 . 4.200 1.997 1.784 2.387 0.016 12 0 "[ . 1 . 2]" 1
147 1 12 VAL MG1 1 47 SER HA 3.300 . 4.800 3.445 2.767 3.797 . 0 0 "[ . 1 . 2]" 1
148 1 58 ARG QB 1 58 ARG QD 2.700 . 4.700 2.122 1.913 2.288 . 0 0 "[ . 1 . 2]" 1
149 1 72 PRO HA 1 72 PRO QG 2.700 . 3.700 3.498 3.494 3.509 . 0 0 "[ . 1 . 2]" 1
150 1 2 VAL HA 1 2 VAL QG 2.700 . 5.200 2.277 2.042 2.399 . 0 0 "[ . 1 . 2]" 1
151 1 3 ILE QG 1 3 ILE MG 2.700 . 5.200 2.316 1.875 2.668 . 0 0 "[ . 1 . 2]" 1
152 1 9 MET QG 1 10 PHE QD 3.300 . 5.300 2.568 1.815 3.455 . 0 0 "[ . 1 . 2]" 1
153 1 12 VAL QG 1 13 SER HA 5.000 . 7.500 4.442 4.363 4.530 . 0 0 "[ . 1 . 2]" 1
154 1 12 VAL QG 1 13 SER QB 5.000 . 8.500 4.645 4.465 4.929 . 0 0 "[ . 1 . 2]" 1
155 1 12 VAL QG 1 14 LYS HA 3.300 . 5.800 3.816 3.593 3.926 . 0 0 "[ . 1 . 2]" 1
156 1 12 VAL QG 1 15 ARG HA 5.000 . 7.500 3.357 3.158 3.680 . 0 0 "[ . 1 . 2]" 1
157 1 16 ILE HB 1 17 PRO QD 2.700 . 3.700 3.037 2.891 3.350 . 0 0 "[ . 1 . 2]" 1
158 1 16 ILE QG 1 59 TYR QE 3.300 . 5.300 3.129 2.805 3.754 . 0 0 "[ . 1 . 2]" 1
159 1 18 GLU QB 1 59 TYR QE 3.300 . 5.300 2.882 1.965 4.050 . 0 0 "[ . 1 . 2]" 1
160 1 18 GLU QG 1 59 TYR QE 3.300 . 5.300 3.281 2.062 4.465 . 0 0 "[ . 1 . 2]" 1
161 1 21 VAL MG1 1 22 VAL HA 3.300 . 4.800 3.815 3.728 3.930 . 0 0 "[ . 1 . 2]" 1
162 1 23 SER HA 1 63 LEU MD1 2.700 . 4.200 2.469 1.867 2.958 . 0 0 "[ . 1 . 2]" 1
163 1 24 TYR HA 1 63 LEU MD1 5.000 . 6.500 4.527 4.108 4.959 . 0 0 "[ . 1 . 2]" 1
164 1 36 GLY QA 1 51 PRO QD 2.700 . 4.700 1.843 1.779 1.932 0.021 10 0 "[ . 1 . 2]" 1
165 1 36 GLY QA 1 51 PRO QG 3.300 . 5.300 2.472 1.914 3.112 . 0 0 "[ . 1 . 2]" 1
166 1 36 GLY QA 1 37 VAL MG2 3.300 . 5.800 3.143 3.035 3.197 . 0 0 "[ . 1 . 2]" 1
167 1 37 VAL MG1 1 60 MET QG 3.300 . 5.800 3.447 2.976 3.945 . 0 0 "[ . 1 . 2]" 1
168 1 38 ILE MG 1 39 PHE HA 3.300 . 4.800 3.841 3.639 3.939 . 0 0 "[ . 1 . 2]" 1
169 1 7 CYS HA 1 38 ILE MD 3.300 . 4.800 3.408 2.591 3.853 . 0 0 "[ . 1 . 2]" 1
170 1 8 CYS QB 1 38 ILE MD 5.000 . 7.500 3.759 2.892 5.037 . 0 0 "[ . 1 . 2]" 1
171 1 39 PHE QE 1 49 GLY QA 3.300 . 5.300 3.150 2.655 3.361 . 0 0 "[ . 1 . 2]" 1
172 1 37 VAL MG2 1 51 PRO QG 2.700 . 5.200 3.473 3.111 3.636 . 0 0 "[ . 1 . 2]" 1
173 1 35 ALA MB 1 51 PRO QG 3.300 . 5.800 3.961 3.440 4.133 . 0 0 "[ . 1 . 2]" 1
174 1 52 LYS HA 1 52 LYS QG 2.700 . 3.700 2.420 1.927 3.320 . 0 0 "[ . 1 . 2]" 1
175 1 66 LYS HA 1 66 LYS QG 3.300 . 4.300 2.333 1.970 2.827 . 0 0 "[ . 1 . 2]" 1
176 1 66 LYS HA 1 66 LYS QD 3.300 . 4.300 3.217 1.968 3.947 . 0 0 "[ . 1 . 2]" 1
177 1 59 TYR HA 1 63 LEU MD1 5.000 . 6.500 3.372 2.815 4.085 . 0 0 "[ . 1 . 2]" 1
178 1 59 TYR QB 1 63 LEU MD1 5.000 . 7.500 2.179 1.871 2.677 . 0 0 "[ . 1 . 2]" 1
179 1 60 MET HA 1 63 LEU MD1 3.300 . 4.800 2.458 2.058 3.249 . 0 0 "[ . 1 . 2]" 1
180 1 7 CYS HA 1 27 SER QB 3.300 . 4.300 2.851 2.273 3.675 . 0 0 "[ . 1 . 2]" 1
181 1 14 LYS QB 1 15 ARG HA 5.000 . 6.000 4.553 4.327 4.789 . 0 0 "[ . 1 . 2]" 1
182 1 26 LEU MD2 1 37 VAL HA 2.700 . 3.200 2.305 2.219 2.400 . 0 0 "[ . 1 . 2]" 1
183 1 27 SER HA 1 38 ILE MD 5.000 . 5.500 3.919 3.640 4.436 . 0 0 "[ . 1 . 2]" 1
184 1 28 SER QB 1 35 ALA MB 3.300 . 5.800 3.878 2.063 4.237 . 0 0 "[ . 1 . 2]" 1
185 1 28 SER HA 1 35 ALA HA 5.000 . 5.000 3.722 2.643 4.812 . 0 0 "[ . 1 . 2]" 1
186 1 11 PHE QD 1 50 ASP HA 3.300 . 5.300 4.010 3.737 4.412 . 0 0 "[ . 1 . 2]" 1
187 1 11 PHE QE 1 50 ASP HA 3.300 . 5.300 2.074 1.916 2.577 . 0 0 "[ . 1 . 2]" 1
188 1 12 VAL HB 1 55 TRP HZ2 5.000 . 6.000 3.980 3.613 4.201 . 0 0 "[ . 1 . 2]" 1
189 1 11 PHE QE 1 36 GLY QA 2.700 . 5.700 2.891 2.016 3.128 . 0 0 "[ . 1 . 2]" 1
190 1 11 PHE QE 1 35 ALA MB 5.000 . 8.000 5.615 5.262 6.075 . 0 0 "[ . 1 . 2]" 1
191 1 22 VAL MG1 1 41 THR HB 5.000 . 6.500 5.275 5.196 5.340 . 0 0 "[ . 1 . 2]" 1
192 1 64 ASP HA 1 67 GLN QB 5.000 . 6.000 4.109 2.649 5.313 . 0 0 "[ . 1 . 2]" 1
193 1 63 LEU HA 1 66 LYS QB 3.300 . 4.300 3.062 2.317 3.897 . 0 0 "[ . 1 . 2]" 1
194 1 71 SER HA 1 72 PRO QD 2.700 . 3.700 2.462 1.942 3.493 . 0 0 "[ . 1 . 2]" 1
195 1 29 ARG HA 1 29 ARG QD 3.300 . 4.300 3.456 1.967 3.944 . 0 0 "[ . 1 . 2]" 1
196 1 6 PRO QB 1 38 ILE MD 5.000 . 7.500 4.311 2.771 5.224 . 0 0 "[ . 1 . 2]" 1
197 1 6 PRO QG 1 38 ILE MD 3.300 . 5.800 3.498 2.228 4.266 . 0 0 "[ . 1 . 2]" 1
198 1 11 PHE QB 1 50 ASP QB 3.300 . 5.300 3.897 3.808 3.966 . 0 0 "[ . 1 . 2]" 1
199 1 17 PRO QD 1 20 ARG QD 3.300 . 5.300 3.436 3.095 3.867 . 0 0 "[ . 1 . 2]" 1
200 1 17 PRO QD 1 20 ARG QG 3.300 . 5.300 3.666 3.557 3.718 . 0 0 "[ . 1 . 2]" 1
201 1 29 ARG HA 1 30 SER HA 5.000 . 5.000 4.572 4.408 4.987 . 0 0 "[ . 1 . 2]" 1
202 1 32 CYS HA 1 33 LEU QB 5.000 . 6.000 4.162 3.851 4.418 . 0 0 "[ . 1 . 2]" 1
203 1 27 SER QB 1 38 ILE QG 5.000 . 7.000 3.657 3.370 4.103 . 0 0 "[ . 1 . 2]" 1
204 1 55 TRP HA 1 59 TYR QD 3.300 . 4.300 3.765 3.109 4.086 . 0 0 "[ . 1 . 2]" 1
205 1 58 ARG QB 1 59 TYR QD 3.300 . 5.300 2.885 2.604 3.117 . 0 0 "[ . 1 . 2]" 1
206 1 58 ARG QD 1 59 TYR QD 3.300 . 5.300 2.873 1.953 3.288 . 0 0 "[ . 1 . 2]" 1
207 1 39 PHE QE 1 60 MET QG 3.300 . 5.300 3.723 3.118 4.509 . 0 0 "[ . 1 . 2]" 1
208 1 39 PHE HZ 1 60 MET QG 3.300 . 4.300 2.666 1.897 3.742 . 0 0 "[ . 1 . 2]" 1
209 1 3 ILE MG 1 24 TYR QD 3.300 . 6.800 4.557 4.027 5.147 . 0 0 "[ . 1 . 2]" 1
210 1 11 PHE QE 1 51 PRO QD 2.700 . 5.700 3.168 2.533 3.626 . 0 0 "[ . 1 . 2]" 1
211 1 3 ILE MD 1 38 ILE MD 2.700 . 5.700 3.517 3.023 3.803 . 0 0 "[ . 1 . 2]" 1
212 1 3 ILE MG 1 4 PRO HA 5.000 . 6.500 4.353 3.904 4.579 . 0 0 "[ . 1 . 2]" 1
213 1 50 ASP QB 1 53 GLN QB 3.300 . 5.300 3.108 2.278 3.821 . 0 0 "[ . 1 . 2]" 1
214 1 21 VAL HA 1 22 VAL HA 5.000 . 5.000 4.491 4.474 4.503 . 0 0 "[ . 1 . 2]" 1
215 1 37 VAL MG2 1 60 MET QG 3.300 . 5.800 3.952 3.460 4.202 . 0 0 "[ . 1 . 2]" 1
216 1 41 THR HB 1 45 GLN QB 2.700 . 3.700 2.403 1.987 2.848 . 0 0 "[ . 1 . 2]" 1
217 1 20 ARG QB 1 41 THR HA 3.300 . 4.300 3.773 3.686 3.825 . 0 0 "[ . 1 . 2]" 1
218 1 41 THR HA 1 42 LYS QB 5.000 . 6.000 4.297 4.088 4.453 . 0 0 "[ . 1 . 2]" 1
219 1 16 ILE MG 1 41 THR MG 2.700 . 5.700 3.142 2.898 3.526 . 0 0 "[ . 1 . 2]" 1
220 1 50 ASP HA 1 51 PRO QG 3.300 . 4.300 3.884 3.850 3.924 . 0 0 "[ . 1 . 2]" 1
221 1 52 LYS HA 1 53 GLN HA 5.000 . 5.000 4.783 4.711 4.831 . 0 0 "[ . 1 . 2]" 1
222 1 53 GLN HA 1 54 GLU HA 5.000 . 5.000 4.423 4.412 4.433 . 0 0 "[ . 1 . 2]" 1
223 1 10 PHE HA 1 10 PHE HB2 2.700 . 2.700 2.414 2.355 2.451 . 0 0 "[ . 1 . 2]" 1
224 1 10 PHE HB3 1 10 PHE QD 2.700 . 4.700 2.475 2.349 2.683 . 0 0 "[ . 1 . 2]" 1
225 1 10 PHE HB2 1 10 PHE QD 2.700 . 4.700 2.392 2.296 2.512 . 0 0 "[ . 1 . 2]" 1
226 1 20 ARG HA 1 20 ARG HB3 2.700 . 2.700 2.550 2.508 2.599 . 0 0 "[ . 1 . 2]" 1
227 1 20 ARG HB3 1 20 ARG QD 2.700 . 3.700 2.163 2.041 2.544 . 0 0 "[ . 1 . 2]" 1
228 1 20 ARG HB2 1 20 ARG QD 2.700 . 3.700 2.771 2.556 2.967 . 0 0 "[ . 1 . 2]" 1
229 1 20 ARG HB3 1 41 THR MG 3.300 . 4.800 1.852 1.811 1.940 . 0 0 "[ . 1 . 2]" 1
230 1 20 ARG HB2 1 41 THR MG 3.300 . 4.800 2.946 2.837 3.065 . 0 0 "[ . 1 . 2]" 1
231 1 16 ILE MG 1 20 ARG HB3 3.300 . 4.800 3.902 3.831 3.953 . 0 0 "[ . 1 . 2]" 1
232 1 16 ILE MG 1 20 ARG HB2 3.300 . 4.800 3.284 3.088 3.410 . 0 0 "[ . 1 . 2]" 1
233 1 24 TYR HA 1 24 TYR HB3 2.700 . 2.700 2.518 2.492 2.547 . 0 0 "[ . 1 . 2]" 1
234 1 24 TYR HA 1 24 TYR HB2 2.700 . 2.700 2.398 2.354 2.422 . 0 0 "[ . 1 . 2]" 1
235 1 24 TYR HB3 1 37 VAL MG1 2.700 . 4.200 3.200 3.077 3.334 . 0 0 "[ . 1 . 2]" 1
236 1 24 TYR HB2 1 37 VAL MG1 3.300 . 4.800 1.921 1.867 2.055 . 0 0 "[ . 1 . 2]" 1
237 1 24 TYR HB3 1 39 PHE HA 3.300 . 3.300 3.299 2.985 3.431 0.131 13 0 "[ . 1 . 2]" 1
238 1 24 TYR HB2 1 39 PHE HA 3.300 . 3.300 3.237 3.004 3.330 0.030 7 0 "[ . 1 . 2]" 1
239 1 55 TRP HA 1 55 TRP HB3 2.700 . 2.700 2.485 2.438 2.519 . 0 0 "[ . 1 . 2]" 1
240 1 55 TRP HA 1 55 TRP HB2 2.700 . 2.700 2.421 2.388 2.461 . 0 0 "[ . 1 . 2]" 1
241 1 55 TRP HB3 1 59 TYR QD 5.000 . 6.000 5.347 4.917 5.612 . 0 0 "[ . 1 . 2]" 1
242 1 55 TRP HB2 1 59 TYR QD 5.000 . 6.000 4.117 3.766 4.358 . 0 0 "[ . 1 . 2]" 1
243 1 39 PHE HA 1 39 PHE HB3 2.700 . 2.700 2.614 2.595 2.630 . 0 0 "[ . 1 . 2]" 1
244 1 16 ILE MD 1 39 PHE HB3 3.300 . 4.800 2.320 2.137 2.480 . 0 0 "[ . 1 . 2]" 1
245 1 21 VAL MG1 1 39 PHE HB3 3.300 . 4.800 2.364 2.230 2.509 . 0 0 "[ . 1 . 2]" 1
246 1 39 PHE HB2 1 39 PHE QD 2.700 . 4.700 2.516 2.433 2.585 . 0 0 "[ . 1 . 2]" 1
247 1 16 ILE MD 1 39 PHE HB2 2.700 . 4.200 2.238 1.932 2.386 . 0 0 "[ . 1 . 2]" 1
248 1 21 VAL MG1 1 39 PHE HB2 3.300 . 4.800 3.856 3.783 3.934 . 0 0 "[ . 1 . 2]" 1
249 1 63 LEU HB2 1 63 LEU MD2 2.700 . 4.200 3.123 3.063 3.183 . 0 0 "[ . 1 . 2]" 1
250 1 63 LEU HB2 1 63 LEU MD1 2.700 . 4.200 2.061 1.957 2.301 . 0 0 "[ . 1 . 2]" 1
251 1 63 LEU HB2 1 63 LEU HG 2.700 . 2.700 2.667 2.562 2.747 0.047 5 0 "[ . 1 . 2]" 1
252 1 63 LEU HB3 1 63 LEU MD2 2.700 . 4.200 2.116 1.976 2.293 . 0 0 "[ . 1 . 2]" 1
253 1 63 LEU HB3 1 63 LEU MD1 2.700 . 4.200 2.651 2.455 2.750 . 0 0 "[ . 1 . 2]" 1
254 1 60 MET HA 1 63 LEU HB2 3.300 . 3.300 2.173 1.953 2.453 . 0 0 "[ . 1 . 2]" 1
255 1 60 MET HA 1 63 LEU HB3 3.300 . 3.300 3.332 3.288 3.372 0.072 2 0 "[ . 1 . 2]" 1
256 1 60 MET HA 1 60 MET HB3 2.700 . 2.700 2.714 2.539 2.875 0.175 1 0 "[ . 1 . 2]" 1
257 1 60 MET HB3 1 60 MET ME 2.700 . 4.200 2.611 1.913 3.456 . 0 0 "[ . 1 . 2]" 1
258 1 60 MET HB2 1 60 MET ME 2.700 . 4.200 2.690 1.886 3.465 . 0 0 "[ . 1 . 2]" 1
259 1 57 GLN HA 1 60 MET HB3 3.300 . 3.300 3.362 3.322 3.399 0.099 16 0 "[ . 1 . 2]" 1
260 1 57 GLN HA 1 60 MET HB2 5.000 . 5.000 2.412 1.946 4.636 . 0 0 "[ . 1 . 2]" 1
261 1 15 ARG HA 1 55 TRP HZ2 3.300 . 3.300 3.381 3.333 3.450 0.150 20 0 "[ . 1 . 2]" 1
262 1 16 ILE HB 1 59 TYR QE 2.700 . 4.700 2.312 2.005 2.687 . 0 0 "[ . 1 . 2]" 1
263 1 18 GLU HA 1 59 TYR QE 2.700 . 4.700 3.461 3.230 4.059 . 0 0 "[ . 1 . 2]" 1
264 1 16 ILE MD 1 55 TRP HZ3 3.300 . 4.800 1.976 1.897 2.068 . 0 0 "[ . 1 . 2]" 1
265 1 24 TYR QD 1 63 LEU QB 2.700 . 5.700 3.332 2.534 4.342 . 0 0 "[ . 1 . 2]" 1
266 1 24 TYR QD 1 63 LEU HG 5.000 . 7.000 4.550 4.100 5.466 . 0 0 "[ . 1 . 2]" 1
267 1 24 TYR QB 1 24 TYR QD 2.700 . 5.700 2.192 2.151 2.327 . 0 0 "[ . 1 . 2]" 1
268 1 24 TYR QB 1 39 PHE QD 3.300 . 6.300 2.841 2.707 2.984 . 0 0 "[ . 1 . 2]" 1
269 1 39 PHE QE 1 56 VAL HA 3.300 . 5.300 3.088 2.853 3.294 . 0 0 "[ . 1 . 2]" 1
270 1 39 PHE HZ 1 56 VAL HA 5.000 . 5.000 2.443 1.952 2.940 . 0 0 "[ . 1 . 2]" 1
271 1 9 MET QB 1 10 PHE QD 5.000 . 8.000 3.008 1.949 4.479 . 0 0 "[ . 1 . 2]" 1
272 1 10 PHE QD 1 12 VAL HA 3.300 . 5.300 3.848 3.432 4.552 . 0 0 "[ . 1 . 2]" 1
273 1 11 PHE HA 1 11 PHE QD 2.700 . 4.700 2.054 1.959 2.229 . 0 0 "[ . 1 . 2]" 1
274 1 11 PHE QD 1 50 ASP QB 3.300 . 6.300 2.999 2.076 3.384 . 0 0 "[ . 1 . 2]" 1
275 1 9 MET QB 1 10 PHE QE 5.000 . 8.000 4.542 3.317 6.045 . 0 0 "[ . 1 . 2]" 1
276 1 10 PHE QE 1 12 VAL HA 3.300 . 5.300 2.952 2.492 3.971 . 0 0 "[ . 1 . 2]" 1
277 1 11 PHE HA 1 11 PHE QE 3.300 . 5.300 4.032 4.010 4.083 . 0 0 "[ . 1 . 2]" 1
278 1 24 TYR QD 1 60 MET HA 5.000 . 7.000 3.559 2.260 4.437 . 0 0 "[ . 1 . 2]" 1
279 1 24 TYR QE 1 63 LEU HG 5.000 . 7.000 4.859 4.388 5.630 . 0 0 "[ . 1 . 2]" 1
280 1 39 PHE HA 1 39 PHE QD 3.300 . 5.300 2.990 2.908 3.031 . 0 0 "[ . 1 . 2]" 1
281 1 24 TYR HA 1 39 PHE QD 3.300 . 5.300 3.739 3.595 3.890 . 0 0 "[ . 1 . 2]" 1
282 1 39 PHE QD 1 49 GLY QA 5.000 . 8.000 2.445 2.154 2.665 . 0 0 "[ . 1 . 2]" 1
283 1 55 TRP HA 1 55 TRP HD1 5.000 . 5.000 4.470 4.361 4.578 . 0 0 "[ . 1 . 2]" 1
284 1 53 GLN QB 1 55 TRP HD1 3.300 . 4.300 2.206 1.936 2.472 . 0 0 "[ . 1 . 2]" 1
285 1 16 ILE HB 1 55 TRP HZ3 5.000 . 5.000 4.125 3.961 4.366 . 0 0 "[ . 1 . 2]" 1
286 1 55 TRP HZ3 1 56 VAL HA 5.000 . 5.000 3.725 3.305 4.099 . 0 0 "[ . 1 . 2]" 1
287 1 55 TRP HE3 1 56 VAL HA 3.300 . 3.300 3.121 2.784 3.332 0.032 11 0 "[ . 1 . 2]" 1
288 1 55 TRP HA 1 55 TRP HE3 5.000 . 5.000 4.165 4.009 4.318 . 0 0 "[ . 1 . 2]" 1
289 1 55 TRP HE3 1 59 TYR QE 3.300 . 5.300 2.650 2.281 3.247 . 0 0 "[ . 1 . 2]" 1
290 1 55 TRP HZ3 1 59 TYR QE 3.300 . 5.300 3.361 3.116 3.780 . 0 0 "[ . 1 . 2]" 1
291 1 24 TYR HA 1 24 TYR QD 3.300 . 5.300 3.642 3.469 3.717 . 0 0 "[ . 1 . 2]" 1
292 1 24 TYR QE 1 60 MET ME 2.700 . 6.200 3.006 1.836 4.165 . 0 0 "[ . 1 . 2]" 1
293 1 24 TYR HA 1 39 PHE QE 3.300 . 5.300 4.532 4.407 4.695 . 0 0 "[ . 1 . 2]" 1
294 1 37 VAL HB 1 39 PHE QE 3.300 . 5.300 1.964 1.865 2.234 . 0 0 "[ . 1 . 2]" 1
295 1 39 PHE QE 1 59 TYR QB 2.700 . 5.700 1.829 1.735 2.008 0.065 6 0 "[ . 1 . 2]" 1
296 1 39 PHE HZ 1 59 TYR QB 2.700 . 3.700 2.790 2.636 3.085 . 0 0 "[ . 1 . 2]" 1
297 1 59 TYR QB 1 59 TYR QD 2.700 . 5.700 2.324 2.249 2.349 . 0 0 "[ . 1 . 2]" 1
298 1 24 TYR QD 1 26 LEU MD1 2.700 . 6.200 4.115 3.800 4.382 . 0 0 "[ . 1 . 2]" 1
299 1 24 TYR QD 1 26 LEU MD2 2.700 . 6.200 3.754 3.556 3.919 . 0 0 "[ . 1 . 2]" 1
300 1 24 TYR QD 1 63 LEU MD2 2.700 . 6.200 2.841 2.080 3.532 . 0 0 "[ . 1 . 2]" 1
301 1 24 TYR QD 1 37 VAL MG1 2.700 . 6.200 2.024 1.777 2.405 0.023 3 0 "[ . 1 . 2]" 1
302 1 24 TYR QD 1 37 VAL MG2 2.700 . 6.200 3.861 3.251 4.401 . 0 0 "[ . 1 . 2]" 1
303 1 24 TYR QD 1 63 LEU MD1 2.700 . 6.200 2.066 1.769 2.976 0.031 18 0 "[ . 1 . 2]" 1
304 1 24 TYR QE 1 26 LEU MD1 2.700 . 6.200 2.500 2.252 2.830 . 0 0 "[ . 1 . 2]" 1
305 1 24 TYR QE 1 26 LEU MD2 2.700 . 6.200 3.713 3.489 3.930 . 0 0 "[ . 1 . 2]" 1
306 1 24 TYR QE 1 63 LEU MD2 2.700 . 6.200 3.220 2.649 3.850 . 0 0 "[ . 1 . 2]" 1
307 1 24 TYR QE 1 37 VAL MG1 2.700 . 6.200 3.299 2.947 3.598 . 0 0 "[ . 1 . 2]" 1
308 1 24 TYR QE 1 37 VAL MG2 3.300 . 6.800 4.322 3.730 4.879 . 0 0 "[ . 1 . 2]" 1
309 1 16 ILE MD 1 39 PHE QD 2.700 . 6.200 3.081 2.856 3.253 . 0 0 "[ . 1 . 2]" 1
310 1 21 VAL MG1 1 39 PHE QD 2.700 . 6.200 1.845 1.792 1.961 0.008 1 0 "[ . 1 . 2]" 1
311 1 21 VAL MG2 1 39 PHE QD 3.300 . 6.800 3.420 3.157 3.618 . 0 0 "[ . 1 . 2]" 1
312 1 37 VAL MG1 1 39 PHE QD 3.300 . 6.800 2.945 2.684 3.368 . 0 0 "[ . 1 . 2]" 1
313 1 39 PHE QD 1 56 VAL MG2 3.300 . 6.800 3.412 3.192 3.661 . 0 0 "[ . 1 . 2]" 1
314 1 39 PHE QD 1 63 LEU MD1 2.700 . 6.200 3.802 3.436 4.213 . 0 0 "[ . 1 . 2]" 1
315 1 16 ILE MD 1 39 PHE QE 2.700 . 6.200 4.450 4.219 4.632 . 0 0 "[ . 1 . 2]" 1
316 1 21 VAL MG1 1 39 PHE QE 2.700 . 6.200 3.261 3.100 3.477 . 0 0 "[ . 1 . 2]" 1
317 1 37 VAL MG1 1 39 PHE QE 2.700 . 6.200 2.156 1.960 2.693 . 0 0 "[ . 1 . 2]" 1
318 1 39 PHE QE 1 56 VAL MG1 2.700 . 6.200 1.818 1.741 1.896 0.059 14 0 "[ . 1 . 2]" 1
319 1 39 PHE QE 1 56 VAL MG2 2.700 . 6.200 2.664 1.916 3.251 . 0 0 "[ . 1 . 2]" 1
320 1 39 PHE QE 1 63 LEU MD1 2.700 . 6.200 2.663 2.349 3.015 . 0 0 "[ . 1 . 2]" 1
321 1 37 VAL MG1 1 39 PHE HZ 2.700 . 4.200 3.177 2.959 3.344 . 0 0 "[ . 1 . 2]" 1
322 1 39 PHE HZ 1 56 VAL MG1 2.700 . 4.200 1.960 1.865 2.185 . 0 0 "[ . 1 . 2]" 1
323 1 55 TRP HE3 1 56 VAL MG2 2.700 . 4.200 3.229 3.089 3.383 . 0 0 "[ . 1 . 2]" 1
324 1 12 VAL MG1 1 55 TRP HH2 2.700 . 4.200 2.799 2.395 2.974 . 0 0 "[ . 1 . 2]" 1
325 1 12 VAL MG2 1 55 TRP HH2 2.700 . 4.200 3.259 3.077 3.365 . 0 0 "[ . 1 . 2]" 1
326 1 16 ILE MD 1 55 TRP HH2 2.700 . 4.200 2.130 1.938 2.278 . 0 0 "[ . 1 . 2]" 1
327 1 55 TRP HH2 1 56 VAL MG2 2.700 . 4.200 3.005 2.755 3.245 . 0 0 "[ . 1 . 2]" 1
328 1 12 VAL MG1 1 55 TRP HZ2 2.700 . 4.200 3.076 2.876 3.222 . 0 0 "[ . 1 . 2]" 1
329 1 12 VAL MG2 1 55 TRP HZ2 2.700 . 4.200 1.938 1.824 2.063 . 0 0 "[ . 1 . 2]" 1
330 1 16 ILE MD 1 55 TRP HZ2 3.300 . 4.800 3.791 3.760 3.833 . 0 0 "[ . 1 . 2]" 1
331 1 55 TRP HZ2 1 56 VAL MG2 2.700 . 4.200 2.979 2.734 3.265 . 0 0 "[ . 1 . 2]" 1
332 1 21 VAL MG1 1 59 TYR QD 2.700 . 6.200 2.441 2.044 2.836 . 0 0 "[ . 1 . 2]" 1
333 1 21 VAL MG2 1 59 TYR QD 2.700 . 6.200 3.378 2.889 3.567 . 0 0 "[ . 1 . 2]" 1
334 1 16 ILE MG 1 59 TYR QE 2.700 . 6.200 3.788 3.662 3.942 . 0 0 "[ . 1 . 2]" 1
335 1 16 ILE MD 1 59 TYR QE 2.700 . 6.200 2.848 2.734 3.177 . 0 0 "[ . 1 . 2]" 1
336 1 21 VAL MG1 1 59 TYR QE 2.700 . 6.200 2.885 2.387 3.699 . 0 0 "[ . 1 . 2]" 1
337 1 21 VAL MG2 1 59 TYR QE 2.700 . 6.200 2.016 1.851 2.324 . 0 0 "[ . 1 . 2]" 1
338 1 11 PHE QE 1 12 VAL MG2 2.700 . 6.200 4.051 3.857 4.720 . 0 0 "[ . 1 . 2]" 1
339 1 10 PHE QE 1 12 VAL MG1 2.700 . 6.200 3.783 3.156 4.623 . 0 0 "[ . 1 . 2]" 1
340 1 2 VAL H 1 2 VAL HB 3.300 . 3.500 3.184 2.371 3.629 0.129 14 0 "[ . 1 . 2]" 1
341 1 3 ILE H 1 3 ILE HB 2.700 . 2.900 2.716 2.519 3.032 0.132 17 0 "[ . 1 . 2]" 1
342 1 3 ILE H 1 3 ILE MD 3.300 . 5.000 4.127 3.738 4.324 . 0 0 "[ . 1 . 2]" 1
343 1 9 MET H 1 9 MET QB 3.300 . 4.500 2.562 2.194 3.068 . 0 0 "[ . 1 . 2]" 1
344 1 9 MET H 1 9 MET QG 3.300 . 4.500 3.075 1.895 4.034 . 0 0 "[ . 1 . 2]" 1
345 1 12 VAL H 1 12 VAL HB 3.300 . 3.500 3.536 3.527 3.545 0.045 6 0 "[ . 1 . 2]" 1
346 1 12 VAL H 1 12 VAL QG 2.700 . 5.400 1.856 1.786 1.915 0.014 19 0 "[ . 1 . 2]" 1
347 1 13 SER H 1 13 SER QB 3.300 . 4.500 2.264 1.941 2.672 . 0 0 "[ . 1 . 2]" 1
348 1 14 LYS H 1 14 LYS QB 2.700 . 3.900 3.106 2.691 3.253 . 0 0 "[ . 1 . 2]" 1
349 1 15 ARG H 1 15 ARG QB 2.700 . 3.900 2.371 2.077 2.583 . 0 0 "[ . 1 . 2]" 1
350 1 15 ARG H 1 15 ARG QG 3.300 . 4.500 2.607 1.930 3.986 . 0 0 "[ . 1 . 2]" 1
351 1 16 ILE H 1 16 ILE MD 5.000 . 6.700 3.960 3.600 4.117 . 0 0 "[ . 1 . 2]" 1
352 1 16 ILE H 1 16 ILE HG13 5.000 . 5.200 2.331 1.858 2.535 . 0 0 "[ . 1 . 2]" 1
353 1 16 ILE H 1 16 ILE HG12 5.000 . 5.200 3.126 2.629 3.470 . 0 0 "[ . 1 . 2]" 1
354 1 18 GLU H 1 18 GLU QG 3.300 . 4.500 3.334 1.936 3.955 . 0 0 "[ . 1 . 2]" 1
355 1 19 ASN H 1 19 ASN HA 2.700 . 2.900 2.870 2.797 2.905 0.005 6 0 "[ . 1 . 2]" 1
356 1 19 ASN H 1 19 ASN QB 2.700 . 3.900 2.100 1.927 2.450 . 0 0 "[ . 1 . 2]" 1
357 1 20 ARG H 1 20 ARG QG 2.700 . 3.900 2.801 2.580 3.033 . 0 0 "[ . 1 . 2]" 1
358 1 21 VAL H 1 21 VAL MG2 2.700 . 4.400 2.047 1.902 2.131 . 0 0 "[ . 1 . 2]" 1
359 1 21 VAL H 1 21 VAL MG1 3.300 . 5.000 3.712 3.706 3.724 . 0 0 "[ . 1 . 2]" 1
360 1 22 VAL H 1 22 VAL HB 3.300 . 3.500 3.668 3.625 3.696 0.196 12 0 "[ . 1 . 2]" 1
361 1 23 SER H 1 23 SER QB 2.700 . 3.900 2.792 2.743 2.824 . 0 0 "[ . 1 . 2]" 1
362 1 25 GLN H 1 25 GLN QB 2.700 . 3.900 2.579 2.233 2.879 . 0 0 "[ . 1 . 2]" 1
363 1 26 LEU H 1 26 LEU QB 2.700 . 3.900 2.015 1.940 2.104 . 0 0 "[ . 1 . 2]" 1
364 1 27 SER H 1 27 SER HA 2.700 . 2.900 2.974 2.933 2.991 0.091 15 0 "[ . 1 . 2]" 1
365 1 27 SER H 1 27 SER QB 2.700 . 3.900 2.508 2.101 2.948 . 0 0 "[ . 1 . 2]" 1
366 1 28 SER H 1 28 SER QB 2.700 . 3.900 2.683 2.028 3.352 . 0 0 "[ . 1 . 2]" 1
367 1 29 ARG H 1 29 ARG QB 3.300 . 4.500 2.402 1.928 3.262 . 0 0 "[ . 1 . 2]" 1
368 1 29 ARG H 1 29 ARG QG 3.300 . 4.500 3.740 2.132 4.120 . 0 0 "[ . 1 . 2]" 1
369 1 30 SER H 1 30 SER QB 3.300 . 4.500 2.443 2.045 3.043 . 0 0 "[ . 1 . 2]" 1
370 1 31 THR H 1 31 THR MG 3.300 . 5.000 2.649 1.905 3.684 . 0 0 "[ . 1 . 2]" 1
371 1 32 CYS H 1 32 CYS QB 2.700 . 3.900 2.326 1.968 2.660 . 0 0 "[ . 1 . 2]" 1
372 1 32 CYS H 1 33 LEU H 5.000 . 5.400 4.397 3.984 4.582 . 0 0 "[ . 1 . 2]" 1
373 1 32 CYS HA 1 33 LEU H 2.700 . 2.900 2.563 2.214 2.932 0.032 15 0 "[ . 1 . 2]" 1
374 1 32 CYS QB 1 33 LEU H 3.300 . 4.500 2.585 1.926 3.976 . 0 0 "[ . 1 . 2]" 1
375 1 33 LEU H 1 33 LEU HA 2.700 . 2.900 2.931 2.851 2.990 0.090 18 0 "[ . 1 . 2]" 1
376 1 33 LEU H 1 33 LEU QD 3.300 . 6.000 2.999 2.155 3.853 . 0 0 "[ . 1 . 2]" 1
377 1 35 ALA H 1 35 ALA MB 2.700 . 4.400 2.269 1.960 2.594 . 0 0 "[ . 1 . 2]" 1
378 1 37 VAL H 1 37 VAL HB 3.300 . 3.500 2.550 2.481 2.662 . 0 0 "[ . 1 . 2]" 1
379 1 37 VAL H 1 37 VAL MG1 3.300 . 5.000 3.801 3.778 3.842 . 0 0 "[ . 1 . 2]" 1
380 1 37 VAL H 1 37 VAL MG2 2.700 . 4.400 2.445 2.278 2.576 . 0 0 "[ . 1 . 2]" 1
381 1 38 ILE H 1 38 ILE HB 2.700 . 2.900 2.461 2.376 2.535 . 0 0 "[ . 1 . 2]" 1
382 1 39 PHE H 1 39 PHE QB 2.700 . 3.900 2.250 2.204 2.392 . 0 0 "[ . 1 . 2]" 1
383 1 40 THR H 1 40 THR HA 2.700 . 2.900 2.975 2.939 2.988 0.088 13 0 "[ . 1 . 2]" 1
384 1 41 THR H 1 41 THR HA 2.700 . 2.900 2.955 2.936 2.968 0.068 12 0 "[ . 1 . 2]" 1
385 1 41 THR H 1 41 THR HB 2.700 . 2.900 2.768 2.644 2.897 . 0 0 "[ . 1 . 2]" 1
386 1 44 GLY H 1 44 GLY HA3 2.700 . 2.900 2.966 2.895 2.983 0.083 5 0 "[ . 1 . 2]" 1
387 1 44 GLY H 1 44 GLY HA2 2.700 . 2.900 2.536 2.390 2.788 . 0 0 "[ . 1 . 2]" 1
388 1 45 GLN H 1 45 GLN QB 2.700 . 3.900 2.137 1.950 2.341 . 0 0 "[ . 1 . 2]" 1
389 1 45 GLN H 1 45 GLN QG 3.300 . 4.500 3.499 2.084 4.052 . 0 0 "[ . 1 . 2]" 1
390 1 47 SER H 1 47 SER QB 3.300 . 4.500 2.467 2.170 2.841 . 0 0 "[ . 1 . 2]" 1
391 1 48 CYS H 1 48 CYS QB 2.700 . 3.900 2.271 1.944 2.520 . 0 0 "[ . 1 . 2]" 1
392 1 49 GLY H 1 49 GLY HA3 2.700 . 2.900 2.407 2.366 2.447 . 0 0 "[ . 1 . 2]" 1
393 1 50 ASP H 1 50 ASP QB 2.700 . 3.900 2.286 2.077 2.657 . 0 0 "[ . 1 . 2]" 1
394 1 52 LYS H 1 52 LYS HA 2.700 . 2.900 2.878 2.850 2.901 0.001 4 0 "[ . 1 . 2]" 1
395 1 53 GLN H 1 53 GLN QB 2.700 . 3.900 2.125 1.946 2.348 . 0 0 "[ . 1 . 2]" 1
396 1 53 GLN H 1 53 GLN QG 2.700 . 3.900 2.736 2.048 3.454 . 0 0 "[ . 1 . 2]" 1
397 1 54 GLU H 1 54 GLU QB 2.700 . 3.900 2.189 2.024 2.574 . 0 0 "[ . 1 . 2]" 1
398 1 54 GLU H 1 54 GLU QG 3.300 . 4.500 3.124 1.924 4.017 . 0 0 "[ . 1 . 2]" 1
399 1 55 TRP H 1 55 TRP HD1 2.700 . 2.900 2.331 2.161 2.551 . 0 0 "[ . 1 . 2]" 1
400 1 55 TRP H 1 55 TRP HE1 5.000 . 5.200 4.281 4.079 4.510 . 0 0 "[ . 1 . 2]" 1
401 1 56 VAL H 1 56 VAL HB 2.700 . 2.900 2.425 2.316 2.539 . 0 0 "[ . 1 . 2]" 1
402 1 56 VAL H 1 56 VAL MG2 2.700 . 4.400 2.305 2.046 2.548 . 0 0 "[ . 1 . 2]" 1
403 1 56 VAL H 1 56 VAL MG1 3.300 . 5.000 3.740 3.715 3.752 . 0 0 "[ . 1 . 2]" 1
404 1 56 VAL H 1 57 GLN HA 5.000 . 5.200 5.197 5.092 5.243 0.043 6 0 "[ . 1 . 2]" 1
405 1 56 VAL HA 1 57 GLN H 5.000 . 5.200 3.554 3.524 3.571 . 0 0 "[ . 1 . 2]" 1
406 1 56 VAL HB 1 57 GLN H 2.700 . 2.900 2.312 2.103 2.529 . 0 0 "[ . 1 . 2]" 1
407 1 56 VAL MG2 1 57 GLN H 3.300 . 5.000 3.704 3.634 3.757 . 0 0 "[ . 1 . 2]" 1
408 1 56 VAL MG1 1 57 GLN H 3.300 . 5.000 3.298 3.091 3.552 . 0 0 "[ . 1 . 2]" 1
409 1 57 GLN H 1 57 GLN HA 2.700 . 2.900 2.863 2.804 2.912 0.012 10 0 "[ . 1 . 2]" 1
410 1 57 GLN H 1 57 GLN QB 2.700 . 3.900 1.926 1.907 1.953 . 0 0 "[ . 1 . 2]" 1
411 1 57 GLN H 1 57 GLN QG 2.700 . 3.900 3.477 3.328 3.571 . 0 0 "[ . 1 . 2]" 1
412 1 58 ARG H 1 58 ARG HA 2.700 . 2.900 2.832 2.813 2.864 . 0 0 "[ . 1 . 2]" 1
413 1 58 ARG H 1 58 ARG QG 3.300 . 4.500 3.920 3.911 3.945 . 0 0 "[ . 1 . 2]" 1
414 1 59 TYR H 1 59 TYR QB 2.700 . 3.900 2.282 2.106 2.447 . 0 0 "[ . 1 . 2]" 1
415 1 60 MET H 1 60 MET QG 2.700 . 3.900 2.772 2.054 3.425 . 0 0 "[ . 1 . 2]" 1
416 1 61 LYS H 1 61 LYS HA 2.700 . 2.900 2.874 2.835 2.914 0.014 15 0 "[ . 1 . 2]" 1
417 1 62 ASN H 1 62 ASN HA 2.700 . 2.900 2.905 2.863 2.955 0.055 9 0 "[ . 1 . 2]" 1
418 1 62 ASN H 1 62 ASN QB 2.700 . 3.900 2.064 1.936 2.259 . 0 0 "[ . 1 . 2]" 1
419 1 63 LEU H 1 63 LEU MD2 3.300 . 5.000 4.092 3.901 4.128 . 0 0 "[ . 1 . 2]" 1
420 1 63 LEU H 1 63 LEU MD1 3.300 . 5.000 3.187 2.917 3.407 . 0 0 "[ . 1 . 2]" 1
421 1 63 LEU H 1 63 LEU HG 2.700 . 2.900 2.913 2.723 2.954 0.054 8 0 "[ . 1 . 2]" 1
422 1 64 ASP H 1 64 ASP QB 2.700 . 3.900 2.068 1.946 2.209 . 0 0 "[ . 1 . 2]" 1
423 1 65 ALA H 1 65 ALA MB 2.700 . 4.400 2.113 1.977 2.198 . 0 0 "[ . 1 . 2]" 1
424 1 66 LYS H 1 66 LYS QB 2.700 . 3.900 2.172 2.041 2.340 . 0 0 "[ . 1 . 2]" 1
425 1 67 GLN H 1 67 GLN QB 2.700 . 3.900 2.141 1.933 2.536 . 0 0 "[ . 1 . 2]" 1
426 1 68 LYS H 1 68 LYS QB 2.700 . 3.900 2.352 1.951 3.325 . 0 0 "[ . 1 . 2]" 1
427 1 68 LYS H 1 68 LYS QG 3.300 . 4.500 3.395 1.947 4.052 . 0 0 "[ . 1 . 2]" 1
428 1 69 LYS H 1 69 LYS QB 2.700 . 3.900 2.394 1.937 3.135 . 0 0 "[ . 1 . 2]" 1
429 1 69 LYS H 1 69 LYS QG 3.300 . 4.500 3.150 1.904 4.105 . 0 0 "[ . 1 . 2]" 1
430 1 70 ALA H 1 70 ALA MB 2.700 . 4.400 2.497 1.967 2.815 . 0 0 "[ . 1 . 2]" 1
431 1 22 VAL H 1 22 VAL MG2 2.700 . 4.400 1.883 1.853 1.979 . 0 0 "[ . 1 . 2]" 1
432 1 2 VAL H 1 2 VAL QG 3.300 . 4.500 2.001 1.776 2.621 0.024 4 0 "[ . 1 . 2]" 1
433 1 26 LEU H 1 26 LEU MD2 3.300 . 5.000 3.857 3.741 3.999 . 0 0 "[ . 1 . 2]" 1
434 1 38 ILE H 1 38 ILE QG 3.300 . 4.500 3.528 3.393 3.718 . 0 0 "[ . 1 . 2]" 1
435 1 8 CYS H 1 8 CYS QB 3.300 . 4.500 2.579 2.197 3.030 . 0 0 "[ . 1 . 2]" 1
436 1 11 PHE H 1 11 PHE QB 2.700 . 3.900 2.138 1.951 2.392 . 0 0 "[ . 1 . 2]" 1
437 1 14 LYS H 1 14 LYS QG 2.700 . 3.900 2.556 2.145 3.554 . 0 0 "[ . 1 . 2]" 1
438 1 18 GLU H 1 18 GLU QB 2.700 . 3.900 2.136 1.939 2.470 . 0 0 "[ . 1 . 2]" 1
439 1 1 VAL HA 1 2 VAL H 2.700 . 2.900 2.398 2.217 2.863 . 0 0 "[ . 1 . 2]" 1
440 1 2 VAL HA 1 3 ILE H 2.700 . 2.900 2.191 2.127 2.285 . 0 0 "[ . 1 . 2]" 1
441 1 4 PRO HA 1 5 SER H 3.300 . 3.500 3.395 2.503 3.579 0.079 15 0 "[ . 1 . 2]" 1
442 1 7 CYS HA 1 8 CYS H 2.700 . 2.900 2.597 2.216 2.946 0.046 20 0 "[ . 1 . 2]" 1
443 1 7 CYS QB 1 8 CYS H 3.300 . 4.500 2.624 1.942 3.772 . 0 0 "[ . 1 . 2]" 1
444 1 9 MET H 1 10 PHE H 3.300 . 3.700 2.263 1.928 3.730 0.030 12 0 "[ . 1 . 2]" 1
445 1 9 MET QB 1 10 PHE H 5.000 . 6.200 2.869 1.917 3.966 . 0 0 "[ . 1 . 2]" 1
446 1 9 MET QG 1 10 PHE H 3.300 . 4.500 2.929 1.942 3.861 . 0 0 "[ . 1 . 2]" 1
447 1 10 PHE HA 1 11 PHE H 2.700 . 2.900 2.466 2.239 2.863 . 0 0 "[ . 1 . 2]" 1
448 1 10 PHE H 1 11 PHE H 5.000 . 5.400 4.437 4.152 4.708 . 0 0 "[ . 1 . 2]" 1
449 1 11 PHE H 1 12 VAL H 5.000 . 5.400 4.569 4.448 4.664 . 0 0 "[ . 1 . 2]" 1
450 1 11 PHE HA 1 12 VAL H 2.700 . 2.900 2.282 2.231 2.320 . 0 0 "[ . 1 . 2]" 1
451 1 11 PHE QB 1 12 VAL H 3.300 . 4.500 3.194 3.072 3.289 . 0 0 "[ . 1 . 2]" 1
452 1 12 VAL HA 1 13 SER H 2.700 . 2.900 2.260 2.220 2.371 . 0 0 "[ . 1 . 2]" 1
453 1 12 VAL HB 1 13 SER H 3.300 . 3.500 3.185 2.750 3.403 . 0 0 "[ . 1 . 2]" 1
454 1 12 VAL QG 1 13 SER H 3.300 . 6.000 3.529 3.353 3.605 . 0 0 "[ . 1 . 2]" 1
455 1 13 SER H 1 14 LYS H 2.700 . 3.100 2.623 2.504 2.696 . 0 0 "[ . 1 . 2]" 1
456 1 13 SER HA 1 14 LYS H 3.300 . 3.500 3.492 3.472 3.512 0.012 20 0 "[ . 1 . 2]" 1
457 1 13 SER QB 1 14 LYS H 3.300 . 4.500 3.097 2.763 3.561 . 0 0 "[ . 1 . 2]" 1
458 1 14 LYS HA 1 15 ARG H 2.700 . 2.900 2.742 2.455 2.917 0.017 19 0 "[ . 1 . 2]" 1
459 1 14 LYS QB 1 15 ARG H 2.700 . 3.900 2.071 1.925 2.510 . 0 0 "[ . 1 . 2]" 1
460 1 14 LYS H 1 15 ARG H 5.000 . 5.400 4.335 4.234 4.419 . 0 0 "[ . 1 . 2]" 1
461 1 15 ARG HA 1 16 ILE H 2.700 . 2.900 2.771 2.374 2.947 0.047 10 0 "[ . 1 . 2]" 1
462 1 17 PRO HA 1 18 GLU H 2.700 . 2.900 2.234 2.216 2.249 . 0 0 "[ . 1 . 2]" 1
463 1 17 PRO QB 1 18 GLU H 3.300 . 4.500 3.583 3.500 3.659 . 0 0 "[ . 1 . 2]" 1
464 1 18 GLU H 1 19 ASN H 3.300 . 3.700 2.950 2.880 3.062 . 0 0 "[ . 1 . 2]" 1
465 1 18 GLU HA 1 19 ASN H 5.000 . 5.200 3.539 3.508 3.582 . 0 0 "[ . 1 . 2]" 1
466 1 18 GLU QB 1 19 ASN H 2.700 . 3.900 2.856 2.380 3.573 . 0 0 "[ . 1 . 2]" 1
467 1 19 ASN H 1 20 ARG H 2.700 . 3.100 2.687 2.595 2.866 . 0 0 "[ . 1 . 2]" 1
468 1 20 ARG H 1 21 VAL H 2.700 . 3.100 2.076 1.940 2.233 . 0 0 "[ . 1 . 2]" 1
469 1 20 ARG HA 1 21 VAL H 3.300 . 3.500 3.533 3.519 3.545 0.045 17 0 "[ . 1 . 2]" 1
470 1 20 ARG QG 1 21 VAL H 3.300 . 4.500 4.110 4.065 4.154 . 0 0 "[ . 1 . 2]" 1
471 1 21 VAL HA 1 22 VAL H 2.700 . 2.900 2.327 2.300 2.349 . 0 0 "[ . 1 . 2]" 1
472 1 21 VAL MG1 1 22 VAL H 3.300 . 5.000 2.049 1.912 2.274 . 0 0 "[ . 1 . 2]" 1
473 1 22 VAL H 1 23 SER H 2.700 . 3.100 1.968 1.935 2.002 . 0 0 "[ . 1 . 2]" 1
474 1 22 VAL HA 1 23 SER H 5.000 . 5.200 3.550 3.537 3.569 . 0 0 "[ . 1 . 2]" 1
475 1 22 VAL HB 1 23 SER H 3.300 . 3.500 3.526 3.407 3.560 0.060 8 0 "[ . 1 . 2]" 1
476 1 23 SER HA 1 24 TYR H 3.300 . 3.500 2.311 2.238 2.360 . 0 0 "[ . 1 . 2]" 1
477 1 23 SER QB 1 24 TYR H 2.700 . 3.900 3.633 3.596 3.679 . 0 0 "[ . 1 . 2]" 1
478 1 25 GLN HA 1 26 LEU H 2.700 . 2.900 2.302 2.223 2.371 . 0 0 "[ . 1 . 2]" 1
479 1 26 LEU HA 1 27 SER H 2.700 . 2.900 2.233 2.161 2.339 . 0 0 "[ . 1 . 2]" 1
480 1 26 LEU QB 1 27 SER H 3.300 . 4.500 3.133 2.736 3.543 . 0 0 "[ . 1 . 2]" 1
481 1 26 LEU H 1 27 SER H 5.000 . 5.400 4.621 4.457 4.673 . 0 0 "[ . 1 . 2]" 1
482 1 27 SER HA 1 28 SER H 2.700 . 2.900 2.572 2.216 2.920 0.020 13 0 "[ . 1 . 2]" 1
483 1 28 SER HA 1 29 ARG H 2.700 . 2.900 2.530 2.203 2.865 . 0 0 "[ . 1 . 2]" 1
484 1 29 ARG HA 1 30 SER H 3.300 . 3.500 2.678 2.258 3.555 0.055 16 0 "[ . 1 . 2]" 1
485 1 30 SER H 1 31 THR H 5.000 . 5.400 2.710 1.930 4.325 . 0 0 "[ . 1 . 2]" 1
486 1 30 SER QB 1 31 THR H 5.000 . 6.200 3.316 2.409 4.073 . 0 0 "[ . 1 . 2]" 1
487 1 31 THR HA 1 32 CYS H 3.300 . 3.500 3.202 2.635 3.562 0.062 12 0 "[ . 1 . 2]" 1
488 1 31 THR MG 1 32 CYS H 5.000 . 6.700 3.874 2.685 4.434 . 0 0 "[ . 1 . 2]" 1
489 1 31 THR H 1 32 CYS H 2.700 . 3.100 2.362 1.936 3.089 . 0 0 "[ . 1 . 2]" 1
490 1 33 LEU HA 1 34 LYS H 3.300 . 3.500 3.361 2.369 3.562 0.062 14 0 "[ . 1 . 2]" 1
491 1 33 LEU QB 1 34 LYS H 3.300 . 4.500 2.929 1.887 3.998 . 0 0 "[ . 1 . 2]" 1
492 1 34 LYS H 1 35 ALA H 5.000 . 5.400 4.398 3.864 4.694 . 0 0 "[ . 1 . 2]" 1
493 1 35 ALA HA 1 36 GLY H 2.700 . 2.900 2.300 2.197 2.820 . 0 0 "[ . 1 . 2]" 1
494 1 35 ALA MB 1 36 GLY H 3.300 . 5.000 3.210 1.927 3.720 . 0 0 "[ . 1 . 2]" 1
495 1 36 GLY HA3 1 37 VAL H 2.700 . 2.900 2.624 2.460 2.785 . 0 0 "[ . 1 . 2]" 1
496 1 36 GLY HA2 1 37 VAL H 2.700 . 2.900 2.674 2.490 2.859 . 0 0 "[ . 1 . 2]" 1
497 1 37 VAL MG1 1 38 ILE H 3.300 . 5.000 1.900 1.830 2.248 . 0 0 "[ . 1 . 2]" 1
498 1 37 VAL HA 1 38 ILE H 2.700 . 2.900 2.490 2.379 2.560 . 0 0 "[ . 1 . 2]" 1
499 1 38 ILE H 1 39 PHE H 5.000 . 5.400 4.288 4.207 4.460 . 0 0 "[ . 1 . 2]" 1
500 1 38 ILE HA 1 39 PHE H 2.700 . 2.900 2.234 2.201 2.291 . 0 0 "[ . 1 . 2]" 1
501 1 40 THR HA 1 41 THR H 2.700 . 2.900 2.278 2.253 2.308 . 0 0 "[ . 1 . 2]" 1
502 1 40 THR HB 1 41 THR H 5.000 . 5.200 4.122 4.061 4.210 . 0 0 "[ . 1 . 2]" 1
503 1 43 LYS HA 1 44 GLY H 3.300 . 3.500 3.486 3.328 3.571 0.071 7 0 "[ . 1 . 2]" 1
504 1 43 LYS QB 1 44 GLY H 3.300 . 4.500 2.815 1.983 3.391 . 0 0 "[ . 1 . 2]" 1
505 1 44 GLY H 1 45 GLN H 3.300 . 3.700 2.001 1.909 2.375 . 0 0 "[ . 1 . 2]" 1
506 1 44 GLY QA 1 45 GLN H 3.300 . 4.500 2.850 2.715 2.954 . 0 0 "[ . 1 . 2]" 1
507 1 45 GLN H 1 46 GLN H 5.000 . 5.400 4.544 4.386 4.649 . 0 0 "[ . 1 . 2]" 1
508 1 46 GLN HA 1 47 SER H 2.700 . 2.900 2.277 2.254 2.309 . 0 0 "[ . 1 . 2]" 1
509 1 46 GLN QB 1 47 SER H 3.300 . 4.500 3.897 3.724 4.046 . 0 0 "[ . 1 . 2]" 1
510 1 46 GLN H 1 47 SER H 3.300 . 3.700 3.715 3.639 3.766 0.066 10 0 "[ . 1 . 2]" 1
511 1 47 SER HA 1 48 CYS H 2.700 . 2.900 2.403 2.213 2.632 . 0 0 "[ . 1 . 2]" 1
512 1 47 SER QB 1 48 CYS H 3.300 . 4.500 2.907 2.350 3.549 . 0 0 "[ . 1 . 2]" 1
513 1 47 SER H 1 48 CYS H 5.000 . 5.400 4.532 4.381 4.585 . 0 0 "[ . 1 . 2]" 1
514 1 48 CYS HA 1 49 GLY H 2.700 . 2.900 2.231 2.216 2.254 . 0 0 "[ . 1 . 2]" 1
515 1 48 CYS QB 1 49 GLY H 3.300 . 4.500 3.654 3.376 3.905 . 0 0 "[ . 1 . 2]" 1
516 1 49 GLY HA3 1 50 ASP H 2.700 . 2.900 3.030 2.962 3.087 0.187 4 0 "[ . 1 . 2]" 1
517 1 49 GLY HA2 1 50 ASP H 2.700 . 2.900 2.217 2.164 2.272 . 0 0 "[ . 1 . 2]" 1
518 1 49 GLY H 1 50 ASP H 5.000 . 5.400 4.557 4.507 4.612 . 0 0 "[ . 1 . 2]" 1
519 1 52 LYS HA 1 53 GLN H 3.300 . 3.500 3.493 3.457 3.529 0.029 19 0 "[ . 1 . 2]" 1
520 1 52 LYS H 1 53 GLN H 2.700 . 3.100 2.574 2.499 2.676 . 0 0 "[ . 1 . 2]" 1
521 1 53 GLN HA 1 54 GLU H 2.700 . 2.900 2.416 2.387 2.448 . 0 0 "[ . 1 . 2]" 1
522 1 53 GLN QB 1 54 GLU H 3.300 . 4.500 2.696 2.574 2.857 . 0 0 "[ . 1 . 2]" 1
523 1 53 GLN H 1 54 GLU H 5.000 . 5.400 4.650 4.622 4.669 . 0 0 "[ . 1 . 2]" 1
524 1 54 GLU H 1 55 TRP H 3.300 . 3.700 2.451 2.393 2.488 . 0 0 "[ . 1 . 2]" 1
525 1 54 GLU HA 1 55 TRP H 5.000 . 5.200 3.479 3.431 3.514 . 0 0 "[ . 1 . 2]" 1
526 1 54 GLU QB 1 55 TRP H 2.700 . 3.900 3.237 3.077 3.686 . 0 0 "[ . 1 . 2]" 1
527 1 54 GLU QG 1 55 TRP H 5.000 . 6.200 4.154 2.059 4.752 . 0 0 "[ . 1 . 2]" 1
528 1 55 TRP H 1 56 VAL MG2 3.300 . 5.000 4.006 3.890 4.111 . 0 0 "[ . 1 . 2]" 1
529 1 57 GLN HA 1 58 ARG H 5.000 . 5.200 3.581 3.549 3.593 . 0 0 "[ . 1 . 2]" 1
530 1 57 GLN H 1 58 ARG H 3.300 . 3.700 2.723 2.475 2.911 . 0 0 "[ . 1 . 2]" 1
531 1 58 ARG HA 1 59 TYR H 5.000 . 5.200 3.569 3.507 3.595 . 0 0 "[ . 1 . 2]" 1
532 1 58 ARG QG 1 59 TYR H 3.300 . 4.500 3.251 2.889 3.842 . 0 0 "[ . 1 . 2]" 1
533 1 58 ARG H 1 59 TYR H 3.300 . 3.700 2.842 2.593 2.974 . 0 0 "[ . 1 . 2]" 1
534 1 59 TYR H 1 60 MET H 3.300 . 3.700 2.730 2.433 2.852 . 0 0 "[ . 1 . 2]" 1
535 1 59 TYR HA 1 60 MET H 3.300 . 3.500 3.552 3.526 3.577 0.077 5 0 "[ . 1 . 2]" 1
536 1 59 TYR QB 1 60 MET H 3.300 . 4.500 2.193 1.893 2.419 . 0 0 "[ . 1 . 2]" 1
537 1 60 MET H 1 61 LYS H 3.300 . 3.700 2.789 2.630 2.927 . 0 0 "[ . 1 . 2]" 1
538 1 60 MET HA 1 61 LYS H 5.000 . 5.200 3.536 3.495 3.567 . 0 0 "[ . 1 . 2]" 1
539 1 61 LYS HA 1 62 ASN H 5.000 . 5.200 3.584 3.540 3.597 . 0 0 "[ . 1 . 2]" 1
540 1 61 LYS QB 1 62 ASN H 2.700 . 3.900 2.372 2.104 2.788 . 0 0 "[ . 1 . 2]" 1
541 1 61 LYS H 1 62 ASN H 3.300 . 3.700 2.731 2.544 2.875 . 0 0 "[ . 1 . 2]" 1
542 1 62 ASN HA 1 63 LEU H 5.000 . 5.200 3.534 3.485 3.577 . 0 0 "[ . 1 . 2]" 1
543 1 62 ASN QB 1 63 LEU H 3.300 . 4.500 2.656 2.440 2.958 . 0 0 "[ . 1 . 2]" 1
544 1 63 LEU H 1 64 ASP H 2.700 . 3.100 2.640 2.450 2.838 . 0 0 "[ . 1 . 2]" 1
545 1 63 LEU HA 1 64 ASP H 3.300 . 3.500 3.529 3.497 3.570 0.070 8 0 "[ . 1 . 2]" 1
546 1 63 LEU MD2 1 64 ASP H 5.000 . 6.700 4.718 4.400 4.838 . 0 0 "[ . 1 . 2]" 1
547 1 63 LEU MD1 1 64 ASP H 5.000 . 6.700 4.565 4.263 4.786 . 0 0 "[ . 1 . 2]" 1
548 1 63 LEU HG 1 64 ASP H 5.000 . 5.200 4.745 4.618 4.849 . 0 0 "[ . 1 . 2]" 1
549 1 64 ASP H 1 65 ALA H 3.300 . 3.700 2.497 2.300 2.635 . 0 0 "[ . 1 . 2]" 1
550 1 64 ASP QB 1 65 ALA H 3.300 . 4.500 2.805 2.539 3.019 . 0 0 "[ . 1 . 2]" 1
551 1 65 ALA H 1 66 LYS H 2.700 . 3.100 2.607 2.309 2.755 . 0 0 "[ . 1 . 2]" 1
552 1 66 LYS HA 1 67 GLN H 3.300 . 3.500 3.522 3.376 3.574 0.074 4 0 "[ . 1 . 2]" 1
553 1 66 LYS QB 1 67 GLN H 2.700 . 3.900 2.578 1.938 3.277 . 0 0 "[ . 1 . 2]" 1
554 1 66 LYS QG 1 67 GLN H 3.300 . 4.500 3.910 3.322 4.099 . 0 0 "[ . 1 . 2]" 1
555 1 66 LYS H 1 67 GLN H 2.700 . 3.100 2.551 2.000 2.844 . 0 0 "[ . 1 . 2]" 1
556 1 67 GLN QB 1 68 LYS H 3.300 . 4.500 3.051 2.066 3.987 . 0 0 "[ . 1 . 2]" 1
557 1 67 GLN H 1 68 LYS H 3.300 . 3.700 2.906 1.967 3.721 0.021 18 0 "[ . 1 . 2]" 1
558 1 69 LYS HA 1 70 ALA H 2.700 . 2.900 2.557 2.209 2.879 . 0 0 "[ . 1 . 2]" 1
559 1 70 ALA HA 1 71 SER H 3.300 . 3.500 2.777 2.244 3.575 0.075 11 0 "[ . 1 . 2]" 1
560 1 70 ALA MB 1 71 SER H 5.000 . 6.700 3.052 2.051 3.737 . 0 0 "[ . 1 . 2]" 1
561 1 72 PRO HA 1 73 ARG H 5.000 . 5.200 2.849 2.218 3.579 . 0 0 "[ . 1 . 2]" 1
562 1 56 VAL H 1 57 GLN H 2.700 . 3.100 2.501 2.395 2.601 . 0 0 "[ . 1 . 2]" 1
563 1 55 TRP H 1 56 VAL H 3.300 . 3.700 2.480 2.393 2.580 . 0 0 "[ . 1 . 2]" 1
564 1 33 LEU H 1 34 LYS H 3.300 . 3.700 2.640 1.934 3.759 0.059 15 0 "[ . 1 . 2]" 1
565 1 14 LYS QG 1 15 ARG H 5.000 . 6.200 3.085 2.478 3.876 . 0 0 "[ . 1 . 2]" 1
566 1 20 ARG H 1 21 VAL MG2 3.300 . 5.000 3.399 3.160 3.540 . 0 0 "[ . 1 . 2]" 1
567 1 22 VAL MG2 1 23 SER H 2.700 . 4.400 1.861 1.841 1.881 . 0 0 "[ . 1 . 2]" 1
568 1 26 LEU MD2 1 27 SER H 3.300 . 5.000 2.556 2.102 3.122 . 0 0 "[ . 1 . 2]" 1
569 1 12 VAL HB 1 14 LYS H 3.300 . 3.500 2.547 2.438 2.641 . 0 0 "[ . 1 . 2]" 1
570 1 17 PRO QB 1 19 ASN H 5.000 . 6.200 2.943 2.710 3.283 . 0 0 "[ . 1 . 2]" 1
571 1 18 GLU HA 1 20 ARG H 5.000 . 5.200 3.681 3.544 3.889 . 0 0 "[ . 1 . 2]" 1
572 1 18 GLU HA 1 21 VAL H 5.000 . 5.200 3.187 3.109 3.295 . 0 0 "[ . 1 . 2]" 1
573 1 32 CYS QB 1 34 LYS H 5.000 . 6.200 3.204 2.301 5.131 . 0 0 "[ . 1 . 2]" 1
574 1 41 THR H 1 45 GLN H 5.000 . 5.400 2.912 2.564 3.225 . 0 0 "[ . 1 . 2]" 1
575 1 41 THR H 1 46 GLN HA 3.300 . 3.500 3.510 3.458 3.548 0.048 15 0 "[ . 1 . 2]" 1
576 1 42 LYS HA 1 44 GLY H 5.000 . 5.200 4.048 3.500 5.163 . 0 0 "[ . 1 . 2]" 1
577 1 52 LYS H 1 56 VAL MG1 5.000 . 6.700 5.331 4.961 5.486 . 0 0 "[ . 1 . 2]" 1
578 1 53 GLN H 1 56 VAL MG2 3.300 . 5.000 3.810 3.696 3.931 . 0 0 "[ . 1 . 2]" 1
579 1 53 GLN H 1 56 VAL MG1 5.000 . 6.700 5.080 4.815 5.240 . 0 0 "[ . 1 . 2]" 1
580 1 54 GLU H 1 56 VAL MG2 5.000 . 6.700 5.266 5.136 5.385 . 0 0 "[ . 1 . 2]" 1
581 1 53 GLN QB 1 55 TRP H 2.700 . 3.900 2.525 2.347 2.655 . 0 0 "[ . 1 . 2]" 1
582 1 56 VAL MG2 1 58 ARG H 5.000 . 6.700 5.375 5.227 5.547 . 0 0 "[ . 1 . 2]" 1
583 1 56 VAL HA 1 59 TYR H 5.000 . 5.200 3.685 3.544 3.784 . 0 0 "[ . 1 . 2]" 1
584 1 56 VAL MG2 1 59 TYR H 5.000 . 6.700 5.243 5.165 5.319 . 0 0 "[ . 1 . 2]" 1
585 1 56 VAL MG1 1 59 TYR H 5.000 . 6.700 4.882 4.640 5.055 . 0 0 "[ . 1 . 2]" 1
586 1 57 GLN H 1 59 TYR H 5.000 . 5.400 4.232 3.738 4.653 . 0 0 "[ . 1 . 2]" 1
587 1 56 VAL HA 1 60 MET H 5.000 . 5.200 3.713 3.325 4.137 . 0 0 "[ . 1 . 2]" 1
588 1 57 GLN HA 1 60 MET H 5.000 . 5.200 3.599 3.249 4.082 . 0 0 "[ . 1 . 2]" 1
589 1 58 ARG H 1 60 MET H 5.000 . 5.400 4.305 3.904 4.740 . 0 0 "[ . 1 . 2]" 1
590 1 59 TYR H 1 61 LYS H 5.000 . 5.400 3.935 3.815 4.122 . 0 0 "[ . 1 . 2]" 1
591 1 59 TYR HA 1 62 ASN H 3.300 . 3.500 3.537 3.508 3.572 0.072 4 0 "[ . 1 . 2]" 1
592 1 62 ASN H 1 64 ASP H 5.000 . 5.400 4.051 3.814 4.300 . 0 0 "[ . 1 . 2]" 1
593 1 60 MET HA 1 63 LEU H 5.000 . 5.200 3.486 3.086 3.726 . 0 0 "[ . 1 . 2]" 1
594 1 61 LYS HA 1 64 ASP H 5.000 . 5.200 3.764 3.530 4.033 . 0 0 "[ . 1 . 2]" 1
595 1 62 ASN HA 1 65 ALA H 3.300 . 3.500 3.392 3.176 3.508 0.008 9 0 "[ . 1 . 2]" 1
596 1 58 ARG QG 1 61 LYS H 5.000 . 6.200 4.812 4.528 5.164 . 0 0 "[ . 1 . 2]" 1
597 1 21 VAL MG1 1 23 SER H 2.700 . 4.400 2.698 2.490 2.877 . 0 0 "[ . 1 . 2]" 1
598 1 37 VAL MG1 1 39 PHE H 5.000 . 6.700 4.407 4.181 4.749 . 0 0 "[ . 1 . 2]" 1
599 1 41 THR MG 1 43 LYS H 5.000 . 6.700 2.604 2.285 3.076 . 0 0 "[ . 1 . 2]" 1
600 1 41 THR MG 1 45 GLN H 3.300 . 5.000 4.152 3.987 4.242 . 0 0 "[ . 1 . 2]" 1
601 1 22 VAL H 1 41 THR HA 3.300 . 3.500 3.435 3.296 3.510 0.010 7 0 "[ . 1 . 2]" 1
602 1 23 SER H 1 41 THR HA 5.000 . 5.200 5.077 4.955 5.195 . 0 0 "[ . 1 . 2]" 1
603 1 24 TYR H 1 37 VAL MG1 5.000 . 6.700 4.829 4.687 4.969 . 0 0 "[ . 1 . 2]" 1
604 1 24 TYR H 1 56 VAL MG1 6.000 . 7.700 6.419 6.375 6.465 . 0 0 "[ . 1 . 2]" 1
605 1 27 SER H 1 36 GLY H 5.000 . 5.400 4.424 4.056 4.863 . 0 0 "[ . 1 . 2]" 1
606 1 27 SER H 1 37 VAL HA 5.000 . 5.200 2.888 2.586 3.078 . 0 0 "[ . 1 . 2]" 1
607 1 27 SER H 1 37 VAL MG1 3.300 . 5.000 3.925 3.743 3.982 . 0 0 "[ . 1 . 2]" 1
608 1 27 SER QB 1 36 GLY H 3.300 . 4.500 3.768 3.041 4.108 . 0 0 "[ . 1 . 2]" 1
609 1 37 VAL H 1 56 VAL MG2 3.300 . 5.000 4.005 3.913 4.108 . 0 0 "[ . 1 . 2]" 1
610 1 37 VAL H 1 56 VAL MG1 5.000 . 6.700 3.627 3.282 4.122 . 0 0 "[ . 1 . 2]" 1
611 1 25 GLN H 1 38 ILE H 3.300 . 3.700 2.423 2.207 2.879 . 0 0 "[ . 1 . 2]" 1
612 1 26 LEU HA 1 38 ILE H 5.000 . 5.200 3.255 3.063 3.651 . 0 0 "[ . 1 . 2]" 1
613 1 39 PHE H 1 47 SER H 3.300 . 3.700 3.694 3.544 3.753 0.053 10 0 "[ . 1 . 2]" 1
614 1 39 PHE H 1 48 CYS HA 3.300 . 3.500 3.104 2.807 3.334 . 0 0 "[ . 1 . 2]" 1
615 1 23 SER H 1 40 THR H 3.300 . 3.700 3.243 2.984 3.518 . 0 0 "[ . 1 . 2]" 1
616 1 40 THR HA 1 47 SER H 3.300 . 3.500 3.194 2.872 3.462 . 0 0 "[ . 1 . 2]" 1
617 1 37 VAL HB 1 49 GLY H 3.300 . 3.500 3.476 3.353 3.552 0.052 7 0 "[ . 1 . 2]" 1
618 1 37 VAL MG1 1 49 GLY H 5.000 . 6.700 4.005 3.813 4.217 . 0 0 "[ . 1 . 2]" 1
619 1 37 VAL H 1 49 GLY H 3.300 . 3.700 3.764 3.730 3.802 0.102 8 0 "[ . 1 . 2]" 1
620 1 38 ILE HA 1 49 GLY H 3.300 . 3.500 2.333 2.147 2.567 . 0 0 "[ . 1 . 2]" 1
621 1 49 GLY H 1 56 VAL MG2 3.300 . 5.000 4.045 3.956 4.131 . 0 0 "[ . 1 . 2]" 1
622 1 49 GLY H 1 56 VAL MG1 5.000 . 6.700 4.538 4.082 5.075 . 0 0 "[ . 1 . 2]" 1
623 1 50 ASP H 1 56 VAL MG2 3.300 . 5.000 2.596 2.221 3.045 . 0 0 "[ . 1 . 2]" 1
624 1 50 ASP H 1 56 VAL MG1 5.000 . 6.700 4.456 4.088 5.045 . 0 0 "[ . 1 . 2]" 1
625 1 23 SER H 1 63 LEU MD1 5.000 . 6.700 4.501 3.733 4.839 . 0 0 "[ . 1 . 2]" 1
626 1 16 ILE MD 1 41 THR H 5.000 . 6.700 5.549 5.515 5.577 . 0 0 "[ . 1 . 2]" 1
627 1 12 VAL QG 1 48 CYS H 3.300 . 6.000 2.368 1.922 2.866 . 0 0 "[ . 1 . 2]" 1
628 1 39 PHE QE 1 60 MET H 5.000 . 6.200 3.730 2.730 4.023 . 0 0 "[ . 1 . 2]" 1
629 1 39 PHE HZ 1 60 MET H 5.000 . 5.200 3.277 2.316 3.684 . 0 0 "[ . 1 . 2]" 1
630 1 12 VAL MG2 1 55 TRP HE1 3.300 . 4.800 3.324 2.992 3.636 . 0 0 "[ . 1 . 2]" 1
631 1 54 GLU H 1 55 TRP HD1 5.000 . 5.200 3.447 3.206 3.772 . 0 0 "[ . 1 . 2]" 1
632 1 55 TRP HD1 1 56 VAL H 5.000 . 5.200 3.834 3.565 4.155 . 0 0 "[ . 1 . 2]" 1
633 1 42 LYS HA 1 43 LYS H 3.300 . 3.500 3.486 3.408 3.552 0.052 15 0 "[ . 1 . 2]" 1
634 1 22 VAL MG2 1 42 LYS H 3.300 . 5.000 3.811 3.515 3.976 . 0 0 "[ . 1 . 2]" 1
635 1 22 VAL MG1 1 42 LYS H 3.300 . 5.000 2.961 2.489 3.588 . 0 0 "[ . 1 . 2]" 1
636 1 41 THR MG 1 42 LYS H 3.300 . 5.000 2.118 1.916 2.320 . 0 0 "[ . 1 . 2]" 1
637 1 42 LYS H 1 42 LYS QG 2.700 . 3.900 2.622 1.916 3.588 . 0 0 "[ . 1 . 2]" 1
638 1 42 LYS H 1 42 LYS HA 2.700 . 2.900 2.888 2.821 2.948 0.048 11 0 "[ . 1 . 2]" 1
639 1 41 THR HA 1 42 LYS H 2.700 . 2.900 2.458 2.324 2.653 . 0 0 "[ . 1 . 2]" 1
640 1 69 LYS QB 1 70 ALA H 5.000 . 6.200 3.135 2.016 4.064 . 0 0 "[ . 1 . 2]" 1
641 1 28 SER H 1 38 ILE MD 5.000 . 6.700 5.170 4.535 5.581 . 0 0 "[ . 1 . 2]" 1
642 1 23 SER H 1 40 THR HB 3.300 . 3.500 3.411 3.136 3.527 0.027 4 0 "[ . 1 . 2]" 1
643 1 42 LYS H 1 43 LYS H 3.300 . 3.700 2.571 2.314 2.752 . 0 0 "[ . 1 . 2]" 1
644 1 41 THR HA 1 43 LYS H 5.000 . 5.200 4.138 3.899 4.490 . 0 0 "[ . 1 . 2]" 1
645 1 22 VAL H 1 42 LYS H 5.000 . 5.400 4.651 4.250 5.206 . 0 0 "[ . 1 . 2]" 1
646 1 41 THR H 1 42 LYS H 5.000 . 5.400 4.592 4.499 4.629 . 0 0 "[ . 1 . 2]" 1
647 1 22 VAL H 1 41 THR H 5.000 . 5.400 5.144 4.954 5.266 . 0 0 "[ . 1 . 2]" 1
648 1 43 LYS QG 1 44 GLY H 5.000 . 6.200 4.267 3.402 4.822 . 0 0 "[ . 1 . 2]" 1
649 1 40 THR MG 1 44 GLY H 5.000 . 6.700 3.800 3.439 4.394 . 0 0 "[ . 1 . 2]" 1
650 1 41 THR MG 1 44 GLY H 5.000 . 6.700 4.122 3.760 4.444 . 0 0 "[ . 1 . 2]" 1
651 1 23 SER H 1 40 THR MG 5.000 . 6.700 4.292 4.036 4.472 . 0 0 "[ . 1 . 2]" 1
652 1 8 CYS H 1 38 ILE MD 5.000 . 6.700 4.267 2.832 5.229 . 0 0 "[ . 1 . 2]" 1
653 1 27 SER H 1 38 ILE MD 3.300 . 5.000 3.090 2.614 3.613 . 0 0 "[ . 1 . 2]" 1
654 1 38 ILE QG 1 39 PHE H 5.000 . 6.200 4.168 3.930 4.290 . 0 0 "[ . 1 . 2]" 1
655 1 22 VAL MG2 1 41 THR H 3.300 . 5.000 3.989 3.570 4.106 . 0 0 "[ . 1 . 2]" 1
656 1 29 ARG QG 1 32 CYS H 5.000 . 6.200 4.506 2.999 5.565 . 0 0 "[ . 1 . 2]" 1
657 1 11 PHE QE 1 37 VAL H 5.000 . 7.200 3.419 2.969 4.656 . 0 0 "[ . 1 . 2]" 1
658 1 12 VAL H 1 49 GLY QA 5.000 . 5.200 3.796 3.497 4.064 . 0 0 "[ . 1 . 2]" 1
659 1 39 PHE QB 1 47 SER H 5.000 . 5.200 3.905 3.480 4.089 . 0 0 "[ . 1 . 2]" 1
660 1 8 CYS H 1 27 SER QB 5.000 . 6.200 4.536 3.341 5.606 . 0 0 "[ . 1 . 2]" 1
661 1 21 VAL MG1 1 41 THR H 5.000 . 6.700 5.185 5.086 5.299 . 0 0 "[ . 1 . 2]" 1
662 1 12 VAL QG 1 50 ASP H 5.000 . 7.700 2.731 2.484 3.106 . 0 0 "[ . 1 . 2]" 1
663 1 52 LYS H 1 52 LYS QG 2.700 . 3.900 2.624 1.918 3.591 . 0 0 "[ . 1 . 2]" 1
664 1 52 LYS QG 1 53 GLN H 5.000 . 6.200 3.910 2.132 4.634 . 0 0 "[ . 1 . 2]" 1
665 1 29 ARG H 1 35 ALA MB 5.000 . 6.700 3.969 2.836 5.314 . 0 0 "[ . 1 . 2]" 1
666 1 29 ARG QB 1 31 THR H 5.000 . 6.200 3.797 2.097 5.605 . 0 0 "[ . 1 . 2]" 1
667 1 29 ARG QG 1 31 THR H 5.000 . 6.200 4.151 2.079 5.151 . 0 0 "[ . 1 . 2]" 1
668 1 29 ARG QB 1 32 CYS H 5.000 . 6.200 4.258 2.659 5.515 . 0 0 "[ . 1 . 2]" 1
669 1 38 ILE MG 1 48 CYS H 5.000 . 6.700 4.631 4.446 4.849 . 0 0 "[ . 1 . 2]" 1
670 1 11 PHE H 1 11 PHE QD 5.000 . 7.200 3.883 3.335 4.161 . 0 0 "[ . 1 . 2]" 1
671 1 11 PHE QD 1 12 VAL H 3.300 . 5.500 2.338 2.091 3.874 . 0 0 "[ . 1 . 2]" 1
672 1 34 LYS H 1 34 LYS QB 2.700 . 3.900 2.527 2.045 3.290 . 0 0 "[ . 1 . 2]" 1
673 1 33 LEU QD 1 34 LYS H 5.000 . 7.700 3.916 3.396 4.428 . 0 0 "[ . 1 . 2]" 1
674 1 24 TYR H 1 63 LEU MD1 3.300 . 5.000 2.468 1.929 3.026 . 0 0 "[ . 1 . 2]" 1
675 1 18 GLU H 1 21 VAL MG2 3.300 . 5.000 3.913 3.863 4.020 . 0 0 "[ . 1 . 2]" 1
676 1 37 VAL H 1 51 PRO HA 5.000 . 5.200 4.836 4.628 5.080 . 0 0 "[ . 1 . 2]" 1
677 1 41 THR H 1 46 GLN QB 5.000 . 6.200 4.906 4.447 5.285 . 0 0 "[ . 1 . 2]" 1
678 1 26 LEU MD2 1 38 ILE H 3.300 . 5.000 3.861 3.759 3.916 . 0 0 "[ . 1 . 2]" 1
679 1 15 ARG HA 1 55 TRP HE1 3.300 . 3.500 2.650 2.400 2.992 . 0 0 "[ . 1 . 2]" 1
680 1 15 ARG QB 1 55 TRP HE1 3.300 . 4.500 3.264 2.990 3.900 . 0 0 "[ . 1 . 2]" 1
681 1 53 GLN QB 1 55 TRP HE1 3.300 . 4.500 2.482 2.230 2.784 . 0 0 "[ . 1 . 2]" 1
682 1 53 GLN QG 1 55 TRP HE1 3.300 . 4.500 2.413 2.016 3.291 . 0 0 "[ . 1 . 2]" 1
683 1 10 PHE H 1 10 PHE HB3 3.300 . 3.500 2.947 2.301 3.306 . 0 0 "[ . 1 . 2]" 1
684 1 20 ARG H 1 20 ARG HB3 3.300 . 3.500 3.575 3.545 3.612 0.112 10 0 "[ . 1 . 2]" 1
685 1 20 ARG H 1 20 ARG HB2 2.700 . 2.900 2.293 2.239 2.365 . 0 0 "[ . 1 . 2]" 1
686 1 20 ARG HB2 1 21 VAL H 3.300 . 3.500 2.696 2.632 2.762 . 0 0 "[ . 1 . 2]" 1
687 1 24 TYR H 1 24 TYR HB2 3.300 . 3.500 3.595 3.548 3.622 0.122 20 0 "[ . 1 . 2]" 1
688 1 55 TRP H 1 55 TRP HB3 2.700 . 2.900 2.550 2.435 2.684 . 0 0 "[ . 1 . 2]" 1
689 1 55 TRP H 1 55 TRP HB2 3.300 . 3.500 3.585 3.571 3.604 0.104 6 0 "[ . 1 . 2]" 1
690 1 60 MET H 1 60 MET HB3 3.300 . 3.500 3.290 1.914 3.497 . 0 0 "[ . 1 . 2]" 1
691 1 63 LEU HB3 1 64 ASP H 3.300 . 3.500 3.390 2.926 3.510 0.010 15 0 "[ . 1 . 2]" 1
692 1 63 LEU HB2 1 64 ASP H 3.300 . 3.500 2.897 2.597 3.124 . 0 0 "[ . 1 . 2]" 1
693 1 63 LEU H 1 63 LEU HB3 3.300 . 3.500 3.413 3.378 3.446 . 0 0 "[ . 1 . 2]" 1
694 1 63 LEU H 1 63 LEU HB2 3.300 . 3.500 2.036 1.989 2.082 . 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 24
_Distance_constraint_stats_list.Viol_count 54
_Distance_constraint_stats_list.Viol_total 44.943
_Distance_constraint_stats_list.Viol_max 0.092
_Distance_constraint_stats_list.Viol_rms 0.0154
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0416
_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 12 VAL 0.022 0.022 4 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLN 0.906 0.082 7 0 "[ . 1 . 2]"
1 37 VAL 0.088 0.034 2 0 "[ . 1 . 2]"
1 38 ILE 0.906 0.082 7 0 "[ . 1 . 2]"
1 39 PHE 0.020 0.020 4 0 "[ . 1 . 2]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 SER 0.020 0.020 4 0 "[ . 1 . 2]"
1 48 CYS 0.022 0.022 4 0 "[ . 1 . 2]"
1 49 GLY 0.088 0.034 2 0 "[ . 1 . 2]"
1 50 ASP 0.052 0.029 18 0 "[ . 1 . 2]"
1 53 GLN 0.052 0.029 18 0 "[ . 1 . 2]"
1 54 GLU 0.280 0.060 18 0 "[ . 1 . 2]"
1 55 TRP 0.008 0.008 14 0 "[ . 1 . 2]"
1 56 VAL 0.753 0.092 3 0 "[ . 1 . 2]"
1 57 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ARG 0.280 0.060 18 0 "[ . 1 . 2]"
1 59 TYR 0.083 0.037 4 0 "[ . 1 . 2]"
1 60 MET 0.797 0.092 3 0 "[ . 1 . 2]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.076 0.037 4 0 "[ . 1 . 2]"
1 64 ASP 0.043 0.025 15 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 22 VAL H 1 40 THR O 2.300 . 2.300 2.188 1.967 2.298 . 0 0 "[ . 1 . 2]" 2
2 1 39 PHE H 1 47 SER O 2.300 . 2.300 1.888 1.680 2.064 0.020 4 0 "[ . 1 . 2]" 2
3 1 50 ASP O 1 53 GLN H 2.300 . 2.300 2.233 2.080 2.329 0.029 18 0 "[ . 1 . 2]" 2
4 1 55 TRP O 1 59 TYR H 2.300 . 2.300 1.889 1.692 2.221 0.008 14 0 "[ . 1 . 2]" 2
5 1 56 VAL O 1 60 MET H 2.300 . 2.300 1.727 1.608 1.979 0.092 3 0 "[ . 1 . 2]" 2
6 1 59 TYR O 1 63 LEU H 2.300 . 2.300 1.793 1.663 2.055 0.037 4 0 "[ . 1 . 2]" 2
7 1 60 MET O 1 64 ASP H 2.300 . 2.300 2.100 1.841 2.325 0.025 15 0 "[ . 1 . 2]" 2
8 1 25 GLN O 1 38 ILE H 2.300 . 2.300 2.323 1.891 2.382 0.082 7 0 "[ . 1 . 2]" 2
9 1 12 VAL H 1 48 CYS O 2.300 . 2.300 2.150 1.839 2.322 0.022 4 0 "[ . 1 . 2]" 2
10 1 37 VAL H 1 49 GLY O 2.300 . 2.300 1.793 1.666 1.937 0.034 2 0 "[ . 1 . 2]" 2
11 1 54 GLU O 1 58 ARG H 2.300 . 2.300 1.737 1.640 1.976 0.060 18 0 "[ . 1 . 2]" 2
12 1 57 GLN O 1 61 LYS H 2.300 . 2.300 1.892 1.704 2.223 . 0 0 "[ . 1 . 2]" 2
13 1 22 VAL N 1 40 THR O 3.300 2.400 3.300 3.081 2.836 3.181 . 0 0 "[ . 1 . 2]" 2
14 1 39 PHE N 1 47 SER O 3.300 2.400 3.300 2.725 2.579 2.922 . 0 0 "[ . 1 . 2]" 2
15 1 50 ASP O 1 53 GLN N 3.300 2.400 3.300 3.099 2.976 3.213 . 0 0 "[ . 1 . 2]" 2
16 1 55 TRP O 1 59 TYR N 3.300 2.400 3.300 2.800 2.571 3.042 . 0 0 "[ . 1 . 2]" 2
17 1 56 VAL O 1 60 MET N 3.300 2.400 3.300 2.663 2.508 2.934 . 0 0 "[ . 1 . 2]" 2
18 1 59 TYR O 1 63 LEU N 3.300 2.400 3.300 2.731 2.630 2.959 . 0 0 "[ . 1 . 2]" 2
19 1 60 MET O 1 64 ASP N 3.300 2.400 3.300 2.919 2.732 3.110 . 0 0 "[ . 1 . 2]" 2
20 1 25 GLN O 1 38 ILE N 3.300 2.400 3.300 3.039 2.667 3.217 . 0 0 "[ . 1 . 2]" 2
21 1 12 VAL N 1 48 CYS O 3.300 2.400 3.300 3.085 2.767 3.248 . 0 0 "[ . 1 . 2]" 2
22 1 37 VAL N 1 49 GLY O 3.300 2.400 3.300 2.677 2.518 2.854 . 0 0 "[ . 1 . 2]" 2
23 1 54 GLU O 1 58 ARG N 3.300 2.400 3.300 2.624 2.524 2.846 . 0 0 "[ . 1 . 2]" 2
24 1 57 GLN O 1 61 LYS N 3.300 2.400 3.300 2.714 2.514 3.145 . 0 0 "[ . 1 . 2]" 2
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