NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
387770 |
1mnl   |
4222 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mnl
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 673
_Distance_constraint_stats_list.Viol_count 1528
_Distance_constraint_stats_list.Viol_total 2706.250
_Distance_constraint_stats_list.Viol_max 0.435
_Distance_constraint_stats_list.Viol_rms 0.0357
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0843
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 2 GLU 0.354 0.066 20 0 "[ . 1 . 2 ]"
1 3 TRP 0.663 0.099 16 0 "[ . 1 . 2 ]"
1 4 GLU 0.158 0.032 11 0 "[ . 1 . 2 ]"
1 5 ILE 5.378 0.296 7 0 "[ . 1 . 2 ]"
1 6 ILE 2.227 0.237 8 0 "[ . 1 . 2 ]"
1 7 ASP 2.747 0.295 12 0 "[ . 1 . 2 ]"
1 8 ILE 6.107 0.282 1 0 "[ . 1 . 2 ]"
1 9 GLY 6.528 0.295 12 0 "[ . 1 . 2 ]"
1 10 PRO 0.012 0.006 6 0 "[ . 1 . 2 ]"
1 11 PHE 0.421 0.081 1 0 "[ . 1 . 2 ]"
1 12 THR 8.049 0.198 13 0 "[ . 1 . 2 ]"
1 13 GLN 7.778 0.196 12 0 "[ . 1 . 2 ]"
1 14 ASN 8.104 0.246 2 0 "[ . 1 . 2 ]"
1 15 LEU 7.998 0.298 14 0 "[ . 1 . 2 ]"
1 16 GLY 0.218 0.074 3 0 "[ . 1 . 2 ]"
1 17 LYS 4.326 0.231 17 0 "[ . 1 . 2 ]"
1 18 PHE 10.408 0.244 1 0 "[ . 1 . 2 ]"
1 19 ALA 6.027 0.244 1 0 "[ . 1 . 2 ]"
1 20 VAL 1.467 0.211 11 0 "[ . 1 . 2 ]"
1 21 ASP 3.208 0.211 19 0 "[ . 1 . 2 ]"
1 22 GLU 7.186 0.253 8 0 "[ . 1 . 2 ]"
1 23 GLU 7.045 0.309 8 0 "[ . 1 . 2 ]"
1 24 ASN 3.665 0.131 6 0 "[ . 1 . 2 ]"
1 25 LYS 8.104 0.254 11 0 "[ . 1 . 2 ]"
1 26 ILE 10.955 0.254 11 0 "[ . 1 . 2 ]"
1 27 GLY 4.707 0.204 15 0 "[ . 1 . 2 ]"
1 28 GLN 0.409 0.054 19 0 "[ . 1 . 2 ]"
1 29 TYR 2.231 0.223 11 0 "[ . 1 . 2 ]"
1 30 GLY 1.855 0.223 11 0 "[ . 1 . 2 ]"
1 31 ARG 0.493 0.104 21 0 "[ . 1 . 2 ]"
1 32 LEU 1.944 0.353 11 0 "[ . 1 . 2 ]"
1 33 THR 2.124 0.124 19 0 "[ . 1 . 2 ]"
1 34 PHE 0.756 0.117 15 0 "[ . 1 . 2 ]"
1 35 ASN 0.698 0.245 16 0 "[ . 1 . 2 ]"
1 36 LYS 0.543 0.171 16 0 "[ . 1 . 2 ]"
1 37 VAL 1.954 0.059 16 0 "[ . 1 . 2 ]"
1 38 ILE 4.781 0.215 5 0 "[ . 1 . 2 ]"
1 39 ARG 0.290 0.067 13 0 "[ . 1 . 2 ]"
1 40 PRO 1.411 0.188 5 0 "[ . 1 . 2 ]"
1 41 CYS 4.084 0.233 5 0 "[ . 1 . 2 ]"
1 42 MET 0.323 0.075 16 0 "[ . 1 . 2 ]"
1 43 LYS 0.534 0.105 17 0 "[ . 1 . 2 ]"
1 44 LYS 0.485 0.099 16 0 "[ . 1 . 2 ]"
1 45 THR 1.702 0.176 9 0 "[ . 1 . 2 ]"
1 46 ILE 3.206 0.217 18 0 "[ . 1 . 2 ]"
1 47 TYR 0.600 0.099 20 0 "[ . 1 . 2 ]"
1 48 GLU 3.594 0.226 7 0 "[ . 1 . 2 ]"
1 49 ASN 4.949 0.306 17 0 "[ . 1 . 2 ]"
1 50 GLU 0.795 0.133 21 0 "[ . 1 . 2 ]"
1 51 ARG 1.548 0.185 6 0 "[ . 1 . 2 ]"
1 52 GLU 5.944 0.306 17 0 "[ . 1 . 2 ]"
1 53 ILE 3.038 0.280 14 0 "[ . 1 . 2 ]"
1 54 LYS 1.886 0.226 7 0 "[ . 1 . 2 ]"
1 55 GLY 3.743 0.217 18 0 "[ . 1 . 2 ]"
1 56 TYR 1.383 0.176 9 0 "[ . 1 . 2 ]"
1 57 GLU 0.512 0.144 14 0 "[ . 1 . 2 ]"
1 58 TYR 4.030 0.237 9 0 "[ . 1 . 2 ]"
1 59 GLN 0.527 0.085 18 0 "[ . 1 . 2 ]"
1 60 LEU 4.457 0.298 14 0 "[ . 1 . 2 ]"
1 61 TYR 0.143 0.060 11 0 "[ . 1 . 2 ]"
1 62 VAL 7.714 0.258 16 0 "[ . 1 . 2 ]"
1 63 TYR 3.107 0.244 16 0 "[ . 1 . 2 ]"
1 64 ALA 0.652 0.171 16 0 "[ . 1 . 2 ]"
1 65 SER 1.160 0.245 16 0 "[ . 1 . 2 ]"
1 66 ASP 0.085 0.032 8 0 "[ . 1 . 2 ]"
1 67 LYS 2.765 0.211 2 0 "[ . 1 . 2 ]"
1 68 LEU 0.027 0.019 11 0 "[ . 1 . 2 ]"
1 69 PHE 5.341 0.258 16 0 "[ . 1 . 2 ]"
1 70 ARG 1.651 0.090 19 0 "[ . 1 . 2 ]"
1 71 ALA 0.129 0.035 16 0 "[ . 1 . 2 ]"
1 72 ASP 1.635 0.109 8 0 "[ . 1 . 2 ]"
1 73 ILE 0.108 0.041 4 0 "[ . 1 . 2 ]"
1 74 SER 3.705 0.237 9 0 "[ . 1 . 2 ]"
1 75 GLU 3.311 0.227 8 0 "[ . 1 . 2 ]"
1 76 ASP 0.609 0.116 18 0 "[ . 1 . 2 ]"
1 77 TYR 3.360 0.435 18 0 "[ . 1 . 2 ]"
1 78 LYS 1.697 0.164 9 0 "[ . 1 . 2 ]"
1 79 THR 0.864 0.133 1 0 "[ . 1 . 2 ]"
1 80 ARG 4.066 0.435 18 0 "[ . 1 . 2 ]"
1 81 GLY 0.862 0.152 8 0 "[ . 1 . 2 ]"
1 82 ARG 2.343 0.227 8 0 "[ . 1 . 2 ]"
1 83 LYS 0.746 0.089 18 0 "[ . 1 . 2 ]"
1 84 LEU 0.020 0.016 6 0 "[ . 1 . 2 ]"
1 85 LEU 0.842 0.102 14 0 "[ . 1 . 2 ]"
1 86 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 87 PHE 3.297 0.309 8 0 "[ . 1 . 2 ]"
1 88 ASN 0.080 0.033 17 0 "[ . 1 . 2 ]"
1 89 GLY 0.021 0.021 11 0 "[ . 1 . 2 ]"
1 90 PRO 0.356 0.068 1 0 "[ . 1 . 2 ]"
1 91 VAL 2.210 0.181 18 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 1 GLY QA 1 2 GLU H 2.500 . 2.700 2.243 2.160 2.326 . 0 0 "[ . 1 . 2 ]" 1
2 1 10 PRO HA 1 11 PHE H 4.000 . 5.000 3.570 3.496 3.618 . 0 0 "[ . 1 . 2 ]" 1
3 1 10 PRO HA 1 14 ASN H 4.000 . 5.000 4.388 3.904 5.006 0.006 6 0 "[ . 1 . 2 ]" 1
4 1 11 PHE HA 1 12 THR H 4.000 . 5.000 3.521 3.471 3.568 . 0 0 "[ . 1 . 2 ]" 1
5 1 11 PHE HA 1 14 ASN H 4.000 . 5.000 3.159 2.704 3.395 . 0 0 "[ . 1 . 2 ]" 1
6 1 11 PHE HA 1 15 LEU H 4.000 . 5.000 3.471 2.935 4.055 . 0 0 "[ . 1 . 2 ]" 1
7 1 11 PHE H 1 11 PHE QB 2.500 . 3.700 2.188 1.986 2.455 . 0 0 "[ . 1 . 2 ]" 1
8 1 11 PHE QB 1 13 GLN H 4.000 . 6.000 5.050 4.879 5.235 . 0 0 "[ . 1 . 2 ]" 1
9 1 11 PHE H 1 12 THR H 3.000 . 3.300 2.878 2.665 3.025 . 0 0 "[ . 1 . 2 ]" 1
10 1 11 PHE H 1 14 ASN H 4.000 . 5.000 4.624 4.370 4.877 . 0 0 "[ . 1 . 2 ]" 1
11 1 12 THR HA 1 13 GLN H 4.000 . 5.000 3.550 3.508 3.569 . 0 0 "[ . 1 . 2 ]" 1
12 1 12 THR HA 1 15 LEU H 4.000 . 5.000 3.811 3.440 4.203 . 0 0 "[ . 1 . 2 ]" 1
13 1 12 THR HA 1 16 GLY H 4.000 . 5.000 4.568 4.309 4.803 . 0 0 "[ . 1 . 2 ]" 1
14 1 12 THR H 1 12 THR HB 3.000 . 3.300 3.471 3.453 3.498 0.198 13 0 "[ . 1 . 2 ]" 1
15 1 12 THR HB 1 13 GLN H 3.000 . 3.300 3.389 3.312 3.491 0.191 1 0 "[ . 1 . 2 ]" 1
16 1 12 THR H 1 12 THR HG1 3.000 . 4.300 1.768 1.701 1.907 0.099 11 0 "[ . 1 . 2 ]" 1
17 1 12 THR HG1 1 13 GLN H 4.000 . 6.000 2.224 1.792 2.636 0.008 14 0 "[ . 1 . 2 ]" 1
18 1 12 THR H 1 13 GLN H 2.500 . 2.700 2.783 2.721 2.830 0.130 14 0 "[ . 1 . 2 ]" 1
19 1 12 THR H 1 15 LEU H 4.000 . 5.000 4.633 4.297 4.947 . 0 0 "[ . 1 . 2 ]" 1
20 1 12 THR H 1 38 ILE QG 3.000 . 4.300 3.254 2.844 3.405 . 0 0 "[ . 1 . 2 ]" 1
21 1 12 THR H 1 38 ILE MD 3.000 . 4.300 3.103 2.368 3.443 . 0 0 "[ . 1 . 2 ]" 1
22 1 13 GLN HA 1 14 ASN H 3.000 . 3.300 3.435 3.395 3.492 0.192 12 0 "[ . 1 . 2 ]" 1
23 1 13 GLN HA 1 16 GLY H 4.000 . 5.000 3.979 3.716 4.254 . 0 0 "[ . 1 . 2 ]" 1
24 1 13 GLN H 1 13 GLN QB 2.500 . 3.700 2.057 1.939 2.246 . 0 0 "[ . 1 . 2 ]" 1
25 1 13 GLN QB 1 14 ASN H 4.000 . 6.000 2.997 2.767 3.614 . 0 0 "[ . 1 . 2 ]" 1
26 1 13 GLN H 1 14 ASN H 3.000 . 3.300 2.579 2.462 2.713 . 0 0 "[ . 1 . 2 ]" 1
27 1 13 GLN H 1 38 ILE QG 4.000 . 6.000 4.399 4.049 4.665 . 0 0 "[ . 1 . 2 ]" 1
28 1 13 GLN HA 1 17 LYS H 4.000 . 5.000 4.491 4.244 4.673 . 0 0 "[ . 1 . 2 ]" 1
29 1 14 ASN HA 1 15 LEU H 3.000 . 3.300 3.536 3.518 3.546 0.246 2 0 "[ . 1 . 2 ]" 1
30 1 14 ASN HA 1 17 LYS H 4.000 . 5.000 3.397 3.119 3.616 . 0 0 "[ . 1 . 2 ]" 1
31 1 14 ASN HA 1 18 PHE H 3.000 . 3.300 3.249 3.047 3.345 0.045 10 0 "[ . 1 . 2 ]" 1
32 1 14 ASN H 1 14 ASN QB 2.500 . 3.700 2.121 1.953 2.429 . 0 0 "[ . 1 . 2 ]" 1
33 1 14 ASN QB 1 15 LEU H 4.000 . 6.000 2.176 1.868 2.448 . 0 0 "[ . 1 . 2 ]" 1
34 1 14 ASN QB 1 58 TYR HH 4.000 . 6.000 4.319 3.065 5.013 . 0 0 "[ . 1 . 2 ]" 1
35 1 14 ASN H 1 15 LEU H 3.000 . 3.300 2.643 2.439 2.802 . 0 0 "[ . 1 . 2 ]" 1
36 1 14 ASN H 1 17 LYS H 4.000 . 5.000 4.761 4.557 4.888 . 0 0 "[ . 1 . 2 ]" 1
37 1 15 LEU HA 1 16 GLY H 4.000 . 5.000 3.570 3.517 3.597 . 0 0 "[ . 1 . 2 ]" 1
38 1 15 LEU HA 1 18 PHE H 4.000 . 5.000 4.412 3.781 4.909 . 0 0 "[ . 1 . 2 ]" 1
39 1 15 LEU HA 1 19 ALA H 3.000 . 3.300 3.117 2.618 3.326 0.026 18 0 "[ . 1 . 2 ]" 1
40 1 15 LEU H 1 15 LEU QB 3.000 . 4.300 2.142 1.994 2.251 . 0 0 "[ . 1 . 2 ]" 1
41 1 15 LEU QB 1 16 GLY H 4.000 . 6.000 2.563 1.881 3.503 . 0 0 "[ . 1 . 2 ]" 1
42 1 15 LEU H 1 15 LEU QD 4.000 . 6.000 3.454 2.956 3.691 . 0 0 "[ . 1 . 2 ]" 1
43 1 15 LEU QD 1 16 GLY H 4.000 . 6.000 2.446 1.938 3.265 . 0 0 "[ . 1 . 2 ]" 1
44 1 15 LEU H 1 15 LEU HG 4.000 . 5.000 3.986 2.422 4.605 . 0 0 "[ . 1 . 2 ]" 1
45 1 15 LEU H 1 17 LYS H 4.000 . 5.000 4.381 3.957 4.740 . 0 0 "[ . 1 . 2 ]" 1
46 1 15 LEU H 1 16 GLY H 3.000 . 3.300 3.071 2.878 3.300 . 0 0 "[ . 1 . 2 ]" 1
47 1 15 LEU H 1 60 LEU QD 3.000 . 4.300 3.120 2.835 3.229 . 0 0 "[ . 1 . 2 ]" 1
48 1 15 LEU QB 1 60 LEU QD 3.000 . 4.300 1.665 1.502 1.900 0.298 14 0 "[ . 1 . 2 ]" 1
49 1 15 LEU H 1 58 TYR HH 4.000 . 5.000 4.527 2.828 4.979 . 0 0 "[ . 1 . 2 ]" 1
50 1 16 GLY QA 1 19 ALA H 4.000 . 6.000 4.339 3.804 4.854 . 0 0 "[ . 1 . 2 ]" 1
51 1 16 GLY QA 1 20 VAL H 4.000 . 6.000 3.758 3.297 4.100 . 0 0 "[ . 1 . 2 ]" 1
52 1 16 GLY QA 1 17 LYS H 3.000 . 4.300 2.671 2.575 2.824 . 0 0 "[ . 1 . 2 ]" 1
53 1 16 GLY H 1 17 LYS H 3.000 . 3.300 2.844 2.573 3.030 . 0 0 "[ . 1 . 2 ]" 1
54 1 16 GLY H 1 19 ALA H 4.000 . 5.000 4.800 4.382 5.041 0.041 21 0 "[ . 1 . 2 ]" 1
55 1 16 GLY QA 1 34 PHE QB 3.000 . 4.300 2.037 1.726 2.821 0.074 3 0 "[ . 1 . 2 ]" 1
56 1 17 LYS HA 1 18 PHE H 3.000 . 3.300 3.506 3.480 3.531 0.231 17 0 "[ . 1 . 2 ]" 1
57 1 17 LYS HA 1 20 VAL H 4.000 . 5.000 4.251 4.018 4.515 . 0 0 "[ . 1 . 2 ]" 1
58 1 17 LYS HA 1 21 ASP H 4.000 . 5.000 4.477 3.839 4.867 . 0 0 "[ . 1 . 2 ]" 1
59 1 17 LYS H 1 17 LYS QB 3.000 . 4.300 2.009 1.921 2.268 . 0 0 "[ . 1 . 2 ]" 1
60 1 17 LYS QB 1 18 PHE H 3.000 . 4.300 1.975 1.819 2.589 . 0 0 "[ . 1 . 2 ]" 1
61 1 14 ASN H 1 17 LYS QB 4.000 . 6.000 4.820 4.398 5.164 . 0 0 "[ . 1 . 2 ]" 1
62 1 17 LYS QB 1 19 ALA H 4.000 . 6.000 4.422 3.926 5.029 . 0 0 "[ . 1 . 2 ]" 1
63 1 17 LYS H 1 17 LYS QD 3.000 . 4.300 3.308 2.290 3.918 . 0 0 "[ . 1 . 2 ]" 1
64 1 17 LYS QD 1 18 PHE H 4.000 . 5.000 4.078 1.814 4.506 . 0 0 "[ . 1 . 2 ]" 1
65 1 17 LYS H 1 17 LYS QG 3.000 . 4.300 3.481 2.384 3.981 . 0 0 "[ . 1 . 2 ]" 1
66 1 17 LYS QG 1 18 PHE H 4.000 . 6.000 3.746 2.677 4.382 . 0 0 "[ . 1 . 2 ]" 1
67 1 17 LYS H 1 18 PHE H 3.000 . 3.300 2.972 2.450 3.243 . 0 0 "[ . 1 . 2 ]" 1
68 1 18 PHE HA 1 19 ALA H 3.000 . 3.300 3.520 3.479 3.544 0.244 1 0 "[ . 1 . 2 ]" 1
69 1 18 PHE HA 1 21 ASP H 4.000 . 5.000 3.729 3.515 4.045 . 0 0 "[ . 1 . 2 ]" 1
70 1 18 PHE HA 1 22 GLU H 3.000 . 3.300 3.347 3.313 3.383 0.083 12 0 "[ . 1 . 2 ]" 1
71 1 18 PHE H 1 18 PHE QB 3.000 . 4.300 2.127 1.942 2.527 . 0 0 "[ . 1 . 2 ]" 1
72 1 18 PHE QB 1 19 ALA H 3.000 . 4.300 2.492 2.017 3.372 . 0 0 "[ . 1 . 2 ]" 1
73 1 18 PHE QD 1 73 ILE QG 4.000 . 6.000 2.368 1.872 3.558 . 0 0 "[ . 1 . 2 ]" 1
74 1 18 PHE H 1 19 ALA H 4.000 . 5.000 3.080 2.607 3.373 . 0 0 "[ . 1 . 2 ]" 1
75 1 19 ALA HA 1 20 VAL H 4.000 . 5.000 3.579 3.550 3.606 . 0 0 "[ . 1 . 2 ]" 1
76 1 19 ALA HA 1 22 GLU H 4.000 . 5.000 3.974 3.620 4.265 . 0 0 "[ . 1 . 2 ]" 1
77 1 19 ALA HA 1 23 GLU H 3.000 . 3.300 2.878 2.700 3.038 . 0 0 "[ . 1 . 2 ]" 1
78 1 19 ALA H 1 19 ALA MB 3.000 . 4.300 2.142 2.030 2.195 . 0 0 "[ . 1 . 2 ]" 1
79 1 19 ALA MB 1 20 VAL H 3.000 . 4.300 1.862 1.831 1.945 . 0 0 "[ . 1 . 2 ]" 1
80 1 19 ALA MB 1 33 THR HB 3.000 . 4.300 1.896 1.705 2.428 0.095 20 0 "[ . 1 . 2 ]" 1
81 1 19 ALA H 1 20 VAL H 3.000 . 3.300 3.189 2.848 3.337 0.037 1 0 "[ . 1 . 2 ]" 1
82 1 2 GLU H 1 2 GLU HA 3.000 . 3.300 2.898 2.363 3.004 . 0 0 "[ . 1 . 2 ]" 1
83 1 2 GLU HA 1 3 TRP H 3.000 . 3.300 2.481 2.219 3.302 0.002 14 0 "[ . 1 . 2 ]" 1
84 1 2 GLU H 1 2 GLU QB 3.000 . 4.300 2.815 2.053 3.465 . 0 0 "[ . 1 . 2 ]" 1
85 1 2 GLU QB 1 3 TRP H 2.500 . 3.700 2.816 1.787 3.360 0.013 14 0 "[ . 1 . 2 ]" 1
86 1 2 GLU H 1 2 GLU QG 4.000 . 6.000 3.077 1.856 4.268 . 0 0 "[ . 1 . 2 ]" 1
87 1 2 GLU QG 1 3 TRP H 4.000 . 6.000 3.400 1.869 4.636 . 0 0 "[ . 1 . 2 ]" 1
88 1 2 GLU H 1 3 TRP H 4.000 . 5.000 4.456 4.236 4.686 . 0 0 "[ . 1 . 2 ]" 1
89 1 2 GLU H 1 46 ILE H 4.000 . 5.000 4.910 4.691 5.022 0.022 12 0 "[ . 1 . 2 ]" 1
90 1 2 GLU H 1 46 ILE HA 3.000 . 3.300 3.062 2.689 3.335 0.035 11 0 "[ . 1 . 2 ]" 1
91 1 2 GLU H 1 46 ILE HB 4.000 . 5.000 4.816 4.007 5.066 0.066 20 0 "[ . 1 . 2 ]" 1
92 1 2 GLU H 1 45 THR HG1 4.000 . 6.000 4.278 3.518 4.729 . 0 0 "[ . 1 . 2 ]" 1
93 1 2 GLU QG 1 45 THR H 4.000 . 6.000 4.547 2.691 5.399 . 0 0 "[ . 1 . 2 ]" 1
94 1 2 GLU QG 1 45 THR HB 4.000 . 6.000 4.716 2.860 5.404 . 0 0 "[ . 1 . 2 ]" 1
95 1 2 GLU H 1 45 THR HB 4.000 . 5.000 4.384 3.621 4.985 . 0 0 "[ . 1 . 2 ]" 1
96 1 20 VAL HA 1 21 ASP H 4.000 . 5.000 3.522 3.509 3.550 . 0 0 "[ . 1 . 2 ]" 1
97 1 20 VAL HA 1 23 GLU H 4.000 . 5.000 4.404 4.266 4.538 . 0 0 "[ . 1 . 2 ]" 1
98 1 20 VAL HA 1 24 ASN H 3.000 . 3.300 3.332 3.256 3.398 0.098 15 0 "[ . 1 . 2 ]" 1
99 1 20 VAL H 1 20 VAL HB 3.000 . 3.300 2.432 2.179 3.511 0.211 11 0 "[ . 1 . 2 ]" 1
100 1 20 VAL QG 1 32 LEU HA 4.000 . 6.000 2.605 1.804 3.823 . 0 0 "[ . 1 . 2 ]" 1
101 1 20 VAL HB 1 33 THR HG1 4.000 . 6.000 3.988 3.392 4.540 . 0 0 "[ . 1 . 2 ]" 1
102 1 20 VAL H 1 33 THR HG1 4.000 . 4.300 2.797 2.219 3.386 . 0 0 "[ . 1 . 2 ]" 1
103 1 20 VAL QG 1 33 THR H 4.000 . 6.000 2.798 1.800 4.513 . 0 0 "[ . 1 . 2 ]" 1
104 1 20 VAL H 1 20 VAL QG 3.000 . 4.300 2.170 1.674 2.478 0.126 11 0 "[ . 1 . 2 ]" 1
105 1 20 VAL H 1 23 GLU H 4.000 . 5.000 4.626 4.567 4.710 . 0 0 "[ . 1 . 2 ]" 1
106 1 20 VAL H 1 21 ASP H 3.000 . 3.300 2.945 2.868 3.038 . 0 0 "[ . 1 . 2 ]" 1
107 1 21 ASP H 1 22 GLU H 3.000 . 3.300 2.797 2.628 2.955 . 0 0 "[ . 1 . 2 ]" 1
108 1 21 ASP H 1 21 ASP QB 3.000 . 4.300 2.144 2.022 2.433 . 0 0 "[ . 1 . 2 ]" 1
109 1 21 ASP HA 1 24 ASN QB 3.000 . 4.300 2.912 2.634 3.675 . 0 0 "[ . 1 . 2 ]" 1
110 1 21 ASP H 1 23 GLU H 4.000 . 5.000 3.403 3.255 3.672 . 0 0 "[ . 1 . 2 ]" 1
111 1 21 ASP HA 1 25 LYS H 3.000 . 3.300 3.445 3.359 3.511 0.211 19 0 "[ . 1 . 2 ]" 1
112 1 21 ASP HA 1 24 ASN H 4.000 . 5.000 3.783 3.687 3.966 . 0 0 "[ . 1 . 2 ]" 1
113 1 22 GLU HA 1 25 LYS QB 3.000 . 4.300 2.080 1.858 2.200 . 0 0 "[ . 1 . 2 ]" 1
114 1 22 GLU HA 1 23 GLU H 3.000 . 3.300 3.504 3.463 3.553 0.253 8 0 "[ . 1 . 2 ]" 1
115 1 22 GLU HA 1 26 ILE H 3.000 . 3.300 3.391 3.351 3.451 0.151 16 0 "[ . 1 . 2 ]" 1
116 1 22 GLU HA 1 25 LYS H 4.000 . 5.000 3.576 3.387 3.847 . 0 0 "[ . 1 . 2 ]" 1
117 1 22 GLU QB 1 23 GLU H 3.000 . 4.300 2.746 2.509 3.488 . 0 0 "[ . 1 . 2 ]" 1
118 1 22 GLU QB 1 84 LEU H 4.000 . 6.000 5.258 5.081 5.499 . 0 0 "[ . 1 . 2 ]" 1
119 1 22 GLU H 1 22 GLU QG 3.000 . 4.300 2.179 1.798 3.870 0.002 14 0 "[ . 1 . 2 ]" 1
120 1 22 GLU H 1 23 GLU H 3.000 . 3.300 2.712 2.650 2.803 . 0 0 "[ . 1 . 2 ]" 1
121 1 23 GLU HA 1 24 ASN H 4.000 . 5.000 3.596 3.573 3.617 . 0 0 "[ . 1 . 2 ]" 1
122 1 23 GLU HA 1 26 ILE HB 3.000 . 3.300 2.921 1.899 3.413 0.113 20 0 "[ . 1 . 2 ]" 1
123 1 23 GLU HA 1 26 ILE H 4.000 . 5.000 3.461 3.231 3.654 . 0 0 "[ . 1 . 2 ]" 1
124 1 23 GLU H 1 25 LYS H 4.000 . 5.000 3.841 3.650 4.087 . 0 0 "[ . 1 . 2 ]" 1
125 1 23 GLU H 1 26 ILE H 4.000 . 5.000 4.252 4.064 4.364 . 0 0 "[ . 1 . 2 ]" 1
126 1 23 GLU H 1 24 ASN H 2.500 . 2.700 2.755 2.706 2.806 0.106 1 0 "[ . 1 . 2 ]" 1
127 1 23 GLU HA 1 27 GLY H 4.000 . 5.000 4.436 4.070 4.728 . 0 0 "[ . 1 . 2 ]" 1
128 1 23 GLU H 1 87 PHE QE 3.000 . 4.300 4.067 3.706 4.609 0.309 8 0 "[ . 1 . 2 ]" 1
129 1 23 GLU QG 1 87 PHE QD 3.000 . 4.300 3.245 3.026 3.462 . 0 0 "[ . 1 . 2 ]" 1
130 1 24 ASN HA 1 27 GLY H 3.000 . 3.300 3.386 3.343 3.431 0.131 6 0 "[ . 1 . 2 ]" 1
131 1 24 ASN HA 1 28 GLN H 3.000 . 3.300 2.379 1.885 3.068 . 0 0 "[ . 1 . 2 ]" 1
132 1 24 ASN HA 1 28 GLN QB 4.000 . 6.000 3.612 3.115 4.557 . 0 0 "[ . 1 . 2 ]" 1
133 1 24 ASN H 1 24 ASN QB 3.000 . 4.300 2.232 2.110 2.418 . 0 0 "[ . 1 . 2 ]" 1
134 1 24 ASN QB 1 25 LYS H 3.000 . 4.300 2.394 2.264 3.314 . 0 0 "[ . 1 . 2 ]" 1
135 1 24 ASN H 1 28 GLN QB 4.000 . 6.000 4.267 3.730 5.042 . 0 0 "[ . 1 . 2 ]" 1
136 1 24 ASN H 1 29 TYR QB 4.000 . 6.000 5.129 3.488 5.430 . 0 0 "[ . 1 . 2 ]" 1
137 1 24 ASN H 1 25 LYS H 3.000 . 3.300 2.693 2.553 2.831 . 0 0 "[ . 1 . 2 ]" 1
138 1 24 ASN H 1 26 ILE H 4.000 . 5.000 4.160 3.944 4.505 . 0 0 "[ . 1 . 2 ]" 1
139 1 24 ASN QD 1 31 ARG HA 4.000 . 6.000 5.069 3.407 5.383 . 0 0 "[ . 1 . 2 ]" 1
140 1 25 LYS HA 1 26 ILE H 3.000 . 3.300 3.540 3.524 3.554 0.254 11 0 "[ . 1 . 2 ]" 1
141 1 25 LYS H 1 25 LYS QB 2.500 . 3.700 2.133 2.036 2.199 . 0 0 "[ . 1 . 2 ]" 1
142 1 25 LYS QB 1 26 ILE H 3.000 . 4.300 2.331 2.030 2.636 . 0 0 "[ . 1 . 2 ]" 1
143 1 25 LYS H 1 26 ILE H 3.000 . 3.300 2.785 2.693 2.909 . 0 0 "[ . 1 . 2 ]" 1
144 1 25 LYS H 1 27 GLY H 4.000 . 5.000 3.890 3.755 4.074 . 0 0 "[ . 1 . 2 ]" 1
145 1 26 ILE H 1 28 GLN H 4.000 . 5.000 4.234 3.650 5.014 0.014 20 0 "[ . 1 . 2 ]" 1
146 1 26 ILE HA 1 27 GLY H 3.000 . 3.300 3.438 3.391 3.504 0.204 15 0 "[ . 1 . 2 ]" 1
147 1 26 ILE HA 1 85 LEU QD 4.000 . 6.000 3.938 3.480 4.072 . 0 0 "[ . 1 . 2 ]" 1
148 1 26 ILE H 1 26 ILE HB 3.000 . 3.300 2.170 2.031 2.293 . 0 0 "[ . 1 . 2 ]" 1
149 1 26 ILE H 1 85 LEU QD 4.000 . 6.000 3.270 3.048 3.480 . 0 0 "[ . 1 . 2 ]" 1
150 1 26 ILE HB 1 85 LEU HG 4.000 . 5.000 4.735 4.163 5.062 0.062 10 0 "[ . 1 . 2 ]" 1
151 1 26 ILE HB 1 27 GLY H 4.000 . 5.000 3.697 3.119 4.025 . 0 0 "[ . 1 . 2 ]" 1
152 1 26 ILE H 1 26 ILE QG 4.000 . 6.000 2.667 2.430 2.871 . 0 0 "[ . 1 . 2 ]" 1
153 1 26 ILE QG 1 87 PHE QD 4.000 . 6.000 3.451 3.035 3.897 . 0 0 "[ . 1 . 2 ]" 1
154 1 26 ILE QG 1 87 PHE QE 3.000 . 4.300 1.902 1.697 2.344 0.103 15 0 "[ . 1 . 2 ]" 1
155 1 26 ILE QG 1 27 GLY H 4.000 . 6.000 2.485 2.106 3.068 . 0 0 "[ . 1 . 2 ]" 1
156 1 26 ILE H 1 27 GLY H 3.000 . 3.300 2.650 2.512 2.761 . 0 0 "[ . 1 . 2 ]" 1
157 1 27 GLY QA 1 28 GLN H 4.000 . 6.000 2.693 2.349 2.918 . 0 0 "[ . 1 . 2 ]" 1
158 1 27 GLY H 1 28 GLN H 3.000 . 3.300 2.199 1.867 3.032 . 0 0 "[ . 1 . 2 ]" 1
159 1 28 GLN HA 1 29 TYR H 4.000 . 5.000 2.702 2.333 3.579 . 0 0 "[ . 1 . 2 ]" 1
160 1 28 GLN H 1 28 GLN QB 2.500 . 3.700 2.507 2.200 2.839 . 0 0 "[ . 1 . 2 ]" 1
161 1 28 GLN QB 1 29 TYR H 4.000 . 6.000 3.591 1.867 4.054 . 0 0 "[ . 1 . 2 ]" 1
162 1 28 GLN H 1 29 TYR H 3.000 . 3.300 3.163 2.096 3.354 0.054 19 0 "[ . 1 . 2 ]" 1
163 1 28 GLN QG 1 87 PHE QD 4.000 . 6.000 3.928 2.815 4.871 . 0 0 "[ . 1 . 2 ]" 1
164 1 29 TYR HA 1 30 GLY H 3.000 . 3.300 3.156 2.755 3.523 0.223 11 0 "[ . 1 . 2 ]" 1
165 1 29 TYR HA 1 31 ARG H 4.000 . 5.000 3.971 3.079 4.926 . 0 0 "[ . 1 . 2 ]" 1
166 1 29 TYR H 1 29 TYR QD 3.000 . 4.300 2.960 1.874 4.156 . 0 0 "[ . 1 . 2 ]" 1
167 1 29 TYR H 1 30 GLY H 2.500 . 2.700 2.687 1.879 2.809 0.109 15 0 "[ . 1 . 2 ]" 1
168 1 3 TRP H 1 3 TRP HE1 4.000 . 6.000 3.480 1.850 4.161 . 0 0 "[ . 1 . 2 ]" 1
169 1 3 TRP HA 1 4 GLU H 2.500 . 2.700 2.445 2.268 2.654 . 0 0 "[ . 1 . 2 ]" 1
170 1 3 TRP HA 1 44 LYS HA 2.500 . 2.700 1.873 1.809 2.101 . 0 0 "[ . 1 . 2 ]" 1
171 1 3 TRP HA 1 45 THR H 3.000 . 3.300 3.292 3.088 3.344 0.044 9 0 "[ . 1 . 2 ]" 1
172 1 3 TRP H 1 3 TRP QB 3.000 . 4.300 2.902 2.056 3.268 . 0 0 "[ . 1 . 2 ]" 1
173 1 3 TRP HA 1 3 TRP HD1 3.000 . 4.300 4.116 2.510 4.319 0.019 2 0 "[ . 1 . 2 ]" 1
174 1 3 TRP HA 1 44 LYS QB 4.000 . 6.000 3.068 1.793 3.849 0.007 12 0 "[ . 1 . 2 ]" 1
175 1 3 TRP QB 1 4 GLU H 4.000 . 6.000 2.624 2.153 3.055 . 0 0 "[ . 1 . 2 ]" 1
176 1 3 TRP QB 1 44 LYS QG 3.000 . 4.300 2.316 1.701 3.535 0.099 16 0 "[ . 1 . 2 ]" 1
177 1 3 TRP HD1 1 4 GLU H 4.000 . 6.000 4.469 2.646 5.943 . 0 0 "[ . 1 . 2 ]" 1
178 1 3 TRP QB 1 44 LYS HA 3.000 . 4.300 3.429 2.938 3.779 . 0 0 "[ . 1 . 2 ]" 1
179 1 3 TRP QB 1 44 LYS QE 3.000 . 4.300 2.528 1.729 3.361 0.071 1 0 "[ . 1 . 2 ]" 1
180 1 3 TRP HA 1 44 LYS QG 3.000 . 4.300 2.437 1.792 3.801 0.008 14 0 "[ . 1 . 2 ]" 1
181 1 30 GLY QA 1 31 ARG H 4.000 . 6.000 2.678 2.483 2.896 . 0 0 "[ . 1 . 2 ]" 1
182 1 30 GLY H 1 31 ARG H . . 3.300 2.951 2.023 3.304 0.004 5 0 "[ . 1 . 2 ]" 1
183 1 31 ARG HA 1 32 LEU H 4.000 . 5.000 3.417 2.807 3.587 . 0 0 "[ . 1 . 2 ]" 1
184 1 31 ARG QB 1 32 LEU QD 3.000 . 4.300 2.179 1.696 2.806 0.104 21 0 "[ . 1 . 2 ]" 1
185 1 32 LEU HA 1 33 THR H 2.500 . 2.700 2.490 2.157 2.735 0.035 2 0 "[ . 1 . 2 ]" 1
186 1 32 LEU H 1 32 LEU QB 3.000 . 4.300 2.785 2.228 3.353 . 0 0 "[ . 1 . 2 ]" 1
187 1 32 LEU QB 1 33 THR H 4.000 . 6.000 2.666 2.220 4.017 . 0 0 "[ . 1 . 2 ]" 1
188 1 32 LEU H 1 32 LEU QD 3.000 . 4.300 2.130 1.592 3.258 0.208 19 0 "[ . 1 . 2 ]" 1
189 1 32 LEU QD 1 33 THR H 4.000 . 5.000 3.582 3.069 3.799 . 0 0 "[ . 1 . 2 ]" 1
190 1 32 LEU H 1 32 LEU HG 3.000 . 3.300 2.775 2.015 3.653 0.353 11 0 "[ . 1 . 2 ]" 1
191 1 32 LEU H 1 33 THR H 4.000 . 5.000 4.344 2.415 4.633 . 0 0 "[ . 1 . 2 ]" 1
192 1 33 THR HA 1 34 PHE H 2.500 . 2.700 2.692 2.349 2.817 0.117 15 0 "[ . 1 . 2 ]" 1
193 1 33 THR HB 1 34 PHE H 4.000 . 5.000 4.282 4.167 4.335 . 0 0 "[ . 1 . 2 ]" 1
194 1 33 THR H 1 33 THR HB 3.000 . 3.300 3.340 3.098 3.424 0.124 19 0 "[ . 1 . 2 ]" 1
195 1 33 THR H 1 33 THR HG1 3.000 . 4.300 3.055 2.243 3.479 . 0 0 "[ . 1 . 2 ]" 1
196 1 33 THR H 1 34 PHE H 4.000 . 5.000 2.941 2.281 4.183 . 0 0 "[ . 1 . 2 ]" 1
197 1 33 THR H 1 34 PHE QB 4.000 . 6.000 3.690 3.268 4.550 . 0 0 "[ . 1 . 2 ]" 1
198 1 34 PHE HA 1 35 ASN H 3.000 . 3.300 2.369 2.212 3.008 . 0 0 "[ . 1 . 2 ]" 1
199 1 34 PHE H 1 35 ASN H 4.000 . 5.000 3.432 2.157 4.094 . 0 0 "[ . 1 . 2 ]" 1
200 1 35 ASN HA 1 36 LYS H 4.000 . 5.000 3.587 3.391 3.613 . 0 0 "[ . 1 . 2 ]" 1
201 1 35 ASN QB 1 36 LYS H 3.000 . 4.300 2.251 1.858 2.896 . 0 0 "[ . 1 . 2 ]" 1
202 1 35 ASN QB 1 64 ALA HA 4.000 . 6.000 3.194 2.723 4.968 . 0 0 "[ . 1 . 2 ]" 1
203 1 35 ASN QB 1 65 SER HA 3.000 . 4.300 2.448 2.086 2.825 . 0 0 "[ . 1 . 2 ]" 1
204 1 35 ASN H 1 36 LYS H 4.000 . 5.000 2.342 2.063 2.669 . 0 0 "[ . 1 . 2 ]" 1
205 1 35 ASN H 1 64 ALA HA 4.000 . 5.000 1.932 1.792 3.778 0.008 15 0 "[ . 1 . 2 ]" 1
206 1 35 ASN H 1 65 SER H 3.000 . 3.300 3.286 2.914 3.545 0.245 16 0 "[ . 1 . 2 ]" 1
207 1 35 ASN H 1 65 SER HA 4.000 . 5.000 4.521 2.887 4.944 . 0 0 "[ . 1 . 2 ]" 1
208 1 36 LYS H 1 37 VAL HB 4.000 . 6.000 5.937 5.637 6.029 0.029 4 0 "[ . 1 . 2 ]" 1
209 1 36 LYS HA 1 37 VAL H 4.000 . 5.000 3.457 2.900 3.550 . 0 0 "[ . 1 . 2 ]" 1
210 1 36 LYS H 1 37 VAL H 4.000 . 5.000 3.612 3.206 4.171 . 0 0 "[ . 1 . 2 ]" 1
211 1 36 LYS QB 1 37 VAL H 4.000 . 6.000 1.798 1.745 1.868 0.055 16 0 "[ . 1 . 2 ]" 1
212 1 36 LYS QG 1 37 VAL HB 4.000 . 6.000 4.626 2.374 5.370 . 0 0 "[ . 1 . 2 ]" 1
213 1 36 LYS H 1 36 LYS QG 4.000 . 6.000 3.214 2.717 4.004 . 0 0 "[ . 1 . 2 ]" 1
214 1 36 LYS H 1 36 LYS QE 4.000 . 6.000 4.409 2.241 5.239 . 0 0 "[ . 1 . 2 ]" 1
215 1 36 LYS H 1 64 ALA H 4.000 . 5.000 4.225 3.986 4.854 . 0 0 "[ . 1 . 2 ]" 1
216 1 36 LYS H 1 64 ALA HA 2.500 . 2.700 1.909 1.808 2.871 0.171 16 0 "[ . 1 . 2 ]" 1
217 1 36 LYS HA 1 64 ALA HA 4.000 . 5.000 4.509 4.270 4.792 . 0 0 "[ . 1 . 2 ]" 1
218 1 36 LYS HA 1 63 TYR QB 4.000 . 6.000 4.786 3.534 5.064 . 0 0 "[ . 1 . 2 ]" 1
219 1 37 VAL HA 1 38 ILE H 2.500 . 2.700 2.498 2.313 2.716 0.016 16 0 "[ . 1 . 2 ]" 1
220 1 37 VAL HB 1 63 TYR H 4.000 . 5.000 4.810 4.596 5.044 0.044 15 0 "[ . 1 . 2 ]" 1
221 1 37 VAL H 1 37 VAL HB 2.500 . 2.700 2.725 2.708 2.746 0.046 15 0 "[ . 1 . 2 ]" 1
222 1 37 VAL H 1 37 VAL QG 4.000 . 6.000 3.142 3.095 3.208 . 0 0 "[ . 1 . 2 ]" 1
223 1 37 VAL QG 1 38 ILE H 3.000 . 4.300 1.768 1.741 2.089 0.059 16 0 "[ . 1 . 2 ]" 1
224 1 37 VAL QG 1 63 TYR H 4.000 . 6.000 4.346 3.820 4.470 . 0 0 "[ . 1 . 2 ]" 1
225 1 37 VAL H 1 63 TYR H 3.000 . 3.300 3.205 3.070 3.335 0.035 18 0 "[ . 1 . 2 ]" 1
226 1 37 VAL H 1 63 TYR QB 4.000 . 6.000 2.706 2.340 2.928 . 0 0 "[ . 1 . 2 ]" 1
227 1 37 VAL H 1 38 ILE H 4.000 . 5.000 4.431 4.335 4.446 . 0 0 "[ . 1 . 2 ]" 1
228 1 38 ILE HA 1 39 ARG H 2.500 . 2.700 2.251 2.162 2.426 . 0 0 "[ . 1 . 2 ]" 1
229 1 38 ILE HA 1 41 CYS H 4.000 . 5.000 5.106 5.048 5.215 0.215 5 0 "[ . 1 . 2 ]" 1
230 1 38 ILE HA 1 63 TYR H 3.000 . 3.300 3.276 3.131 3.418 0.118 16 0 "[ . 1 . 2 ]" 1
231 1 38 ILE HA 1 62 VAL HA 3.000 . 3.300 3.311 2.799 3.472 0.172 13 0 "[ . 1 . 2 ]" 1
232 1 38 ILE H 1 38 ILE HB 4.000 . 5.000 3.338 2.315 3.765 . 0 0 "[ . 1 . 2 ]" 1
233 1 38 ILE H 1 38 ILE QG 4.000 . 5.000 1.946 1.755 3.001 0.045 5 0 "[ . 1 . 2 ]" 1
234 1 38 ILE QG 1 39 ARG H 4.000 . 6.000 3.162 2.404 3.921 . 0 0 "[ . 1 . 2 ]" 1
235 1 39 ARG H 1 39 ARG QB 3.000 . 4.300 2.319 2.110 3.021 . 0 0 "[ . 1 . 2 ]" 1
236 1 39 ARG H 1 62 VAL HA 3.000 . 3.300 3.219 3.045 3.367 0.067 13 0 "[ . 1 . 2 ]" 1
237 1 39 ARG HA 1 40 PRO HD2 4.000 . 5.000 4.160 3.996 4.221 . 0 0 "[ . 1 . 2 ]" 1
238 1 4 GLU H 1 4 GLU HA 3.000 . 3.300 2.887 2.844 2.965 . 0 0 "[ . 1 . 2 ]" 1
239 1 4 GLU HA 1 5 ILE H 3.000 . 3.300 2.315 2.218 2.651 . 0 0 "[ . 1 . 2 ]" 1
240 1 4 GLU H 1 4 GLU QB 3.000 . 4.300 2.948 2.626 3.338 . 0 0 "[ . 1 . 2 ]" 1
241 1 4 GLU QB 1 5 ILE H 3.000 . 4.300 3.364 2.111 3.956 . 0 0 "[ . 1 . 2 ]" 1
242 1 4 GLU QB 1 43 LYS H 4.000 . 6.000 4.493 3.813 5.096 . 0 0 "[ . 1 . 2 ]" 1
243 1 4 GLU QB 1 43 LYS QD 3.000 . 4.300 2.845 1.845 3.525 . 0 0 "[ . 1 . 2 ]" 1
244 1 4 GLU H 1 4 GLU QG 4.000 . 6.000 3.419 2.370 4.110 . 0 0 "[ . 1 . 2 ]" 1
245 1 4 GLU QG 1 5 ILE H 3.000 . 4.300 3.369 2.242 3.910 . 0 0 "[ . 1 . 2 ]" 1
246 1 4 GLU QG 1 43 LYS H 4.000 . 6.000 4.296 3.429 5.452 . 0 0 "[ . 1 . 2 ]" 1
247 1 4 GLU QG 1 43 LYS QB 4.000 . 6.000 3.099 1.926 4.437 . 0 0 "[ . 1 . 2 ]" 1
248 1 4 GLU H 1 43 LYS H 3.000 . 3.300 3.111 2.814 3.321 0.021 10 0 "[ . 1 . 2 ]" 1
249 1 4 GLU QB 1 44 LYS HA 4.000 . 6.000 4.349 3.389 5.202 . 0 0 "[ . 1 . 2 ]" 1
250 1 4 GLU QG 1 44 LYS HA 4.000 . 6.000 4.895 3.502 5.435 . 0 0 "[ . 1 . 2 ]" 1
251 1 4 GLU H 1 44 LYS HA 3.000 . 3.300 3.224 2.955 3.332 0.032 11 0 "[ . 1 . 2 ]" 1
252 1 4 GLU H 1 5 ILE H 4.000 . 5.000 4.078 3.682 4.403 . 0 0 "[ . 1 . 2 ]" 1
253 1 40 PRO HA 1 41 CYS H 2.500 . 2.700 2.767 2.716 2.888 0.188 5 0 "[ . 1 . 2 ]" 1
254 1 41 CYS H 1 41 CYS QB 3.000 . 4.300 2.506 2.007 2.791 . 0 0 "[ . 1 . 2 ]" 1
255 1 41 CYS HA 1 42 MET H 3.000 . 3.300 2.263 2.202 2.449 . 0 0 "[ . 1 . 2 ]" 1
256 1 41 CYS HA 1 60 LEU HA 2.500 . 2.700 2.130 1.904 2.544 . 0 0 "[ . 1 . 2 ]" 1
257 1 41 CYS QB 1 61 TYR H 4.000 . 6.000 4.140 3.159 4.863 . 0 0 "[ . 1 . 2 ]" 1
258 1 41 CYS HA 1 61 TYR H 2.500 . 2.700 2.454 1.869 2.725 0.025 4 0 "[ . 1 . 2 ]" 1
259 1 42 MET H 1 60 LEU HA 4.000 . 5.000 2.855 2.039 4.045 . 0 0 "[ . 1 . 2 ]" 1
260 1 42 MET HA 1 43 LYS H 3.000 . 3.300 2.447 2.220 2.599 . 0 0 "[ . 1 . 2 ]" 1
261 1 42 MET H 1 42 MET QB 3.000 . 4.300 2.255 1.961 2.533 . 0 0 "[ . 1 . 2 ]" 1
262 1 42 MET QB 1 59 GLN H 3.000 . 4.300 3.837 3.506 3.939 . 0 0 "[ . 1 . 2 ]" 1
263 1 42 MET H 1 42 MET QG 4.000 . 5.000 3.291 2.362 3.802 . 0 0 "[ . 1 . 2 ]" 1
264 1 42 MET H 1 59 GLN H 4.000 . 5.000 4.169 3.610 4.768 . 0 0 "[ . 1 . 2 ]" 1
265 1 43 LYS HA 1 44 LYS H 3.000 . 3.300 2.289 2.209 2.375 . 0 0 "[ . 1 . 2 ]" 1
266 1 43 LYS HA 1 58 TYR HA 2.500 . 2.700 2.563 2.034 2.805 0.105 17 0 "[ . 1 . 2 ]" 1
267 1 43 LYS HA 1 59 GLN H 3.000 . 3.300 2.557 2.172 3.020 . 0 0 "[ . 1 . 2 ]" 1
268 1 43 LYS H 1 43 LYS QB 3.000 . 4.300 2.539 2.282 2.972 . 0 0 "[ . 1 . 2 ]" 1
269 1 5 ILE H 1 43 LYS QB 4.000 . 6.000 4.845 4.287 5.295 . 0 0 "[ . 1 . 2 ]" 1
270 1 43 LYS QB 1 44 LYS H 4.000 . 6.000 3.625 3.141 3.941 . 0 0 "[ . 1 . 2 ]" 1
271 1 43 LYS H 1 43 LYS QG 4.000 . 6.000 4.065 2.434 4.273 . 0 0 "[ . 1 . 2 ]" 1
272 1 43 LYS QG 1 44 LYS H 4.000 . 6.000 2.293 1.854 4.037 . 0 0 "[ . 1 . 2 ]" 1
273 1 43 LYS QE 1 45 THR H 4.000 . 6.000 3.885 2.317 5.099 . 0 0 "[ . 1 . 2 ]" 1
274 1 44 LYS H 1 44 LYS QB 3.000 . 4.300 2.685 2.394 3.298 . 0 0 "[ . 1 . 2 ]" 1
275 1 44 LYS HA 1 44 LYS QG 3.000 . 4.300 2.390 1.981 3.292 . 0 0 "[ . 1 . 2 ]" 1
276 1 44 LYS HA 1 45 THR H 3.000 . 3.300 2.279 2.200 2.520 . 0 0 "[ . 1 . 2 ]" 1
277 1 44 LYS H 1 57 GLU H 4.000 . 5.000 4.504 3.813 4.823 . 0 0 "[ . 1 . 2 ]" 1
278 1 44 LYS H 1 58 TYR HA 3.000 . 3.300 2.315 1.856 2.911 . 0 0 "[ . 1 . 2 ]" 1
279 1 45 THR HA 1 46 ILE H 2.500 . 2.700 2.326 2.267 2.446 . 0 0 "[ . 1 . 2 ]" 1
280 1 45 THR HA 1 57 GLU H 3.000 . 3.300 2.282 1.869 3.155 . 0 0 "[ . 1 . 2 ]" 1
281 1 45 THR H 1 45 THR HB 3.000 . 3.300 2.453 2.182 2.812 . 0 0 "[ . 1 . 2 ]" 1
282 1 45 THR HB 1 47 TYR QE 4.000 . 6.000 4.318 2.941 5.435 . 0 0 "[ . 1 . 2 ]" 1
283 1 45 THR H 1 45 THR HG1 3.000 . 4.300 3.465 3.207 3.631 . 0 0 "[ . 1 . 2 ]" 1
284 1 45 THR HG1 1 46 ILE H 3.000 . 4.300 1.956 1.705 2.109 0.095 9 0 "[ . 1 . 2 ]" 1
285 1 45 THR HA 1 56 TYR HA 2.500 . 2.700 2.304 1.940 2.685 . 0 0 "[ . 1 . 2 ]" 1
286 1 45 THR HA 1 56 TYR QB 4.000 . 6.000 4.299 3.709 4.719 . 0 0 "[ . 1 . 2 ]" 1
287 1 45 THR HG1 1 56 TYR HA 4.000 . 6.000 1.760 1.624 2.085 0.176 9 0 "[ . 1 . 2 ]" 1
288 1 46 ILE HA 1 47 TYR H 3.000 . 3.300 2.676 2.219 2.818 . 0 0 "[ . 1 . 2 ]" 1
289 1 46 ILE H 1 46 ILE HB 4.000 . 5.000 3.101 2.336 3.730 . 0 0 "[ . 1 . 2 ]" 1
290 1 46 ILE HB 1 47 TYR H 4.000 . 5.000 4.565 4.462 4.638 . 0 0 "[ . 1 . 2 ]" 1
291 1 46 ILE H 1 46 ILE QG 4.000 . 6.000 1.987 1.830 3.071 . 0 0 "[ . 1 . 2 ]" 1
292 1 46 ILE QG 1 47 TYR H 4.000 . 4.300 3.344 2.756 3.457 . 0 0 "[ . 1 . 2 ]" 1
293 1 46 ILE H 1 56 TYR HA 3.000 . 3.300 3.058 2.614 3.317 0.017 4 0 "[ . 1 . 2 ]" 1
294 1 46 ILE MD 1 47 TYR H 4.000 . 6.000 5.014 4.946 5.107 . 0 0 "[ . 1 . 2 ]" 1
295 1 46 ILE H 1 47 TYR H 4.000 . 5.000 3.021 2.623 4.302 . 0 0 "[ . 1 . 2 ]" 1
296 1 46 ILE H 1 55 GLY H 3.000 . 3.300 3.428 3.352 3.517 0.217 18 0 "[ . 1 . 2 ]" 1
297 1 46 ILE H 1 54 LYS QB 4.000 . 6.000 4.482 4.185 4.937 . 0 0 "[ . 1 . 2 ]" 1
298 1 47 TYR HA 1 48 GLU H 3.000 . 3.300 2.696 2.419 2.950 . 0 0 "[ . 1 . 2 ]" 1
299 1 47 TYR HA 1 54 LYS H 2.500 . 2.700 1.857 1.758 2.023 0.042 7 0 "[ . 1 . 2 ]" 1
300 1 47 TYR HA 1 54 LYS QB 3.000 . 4.300 1.896 1.748 2.504 0.052 20 0 "[ . 1 . 2 ]" 1
301 1 47 TYR HA 1 55 GLY H 2.500 . 2.700 2.174 1.767 2.799 0.099 20 0 "[ . 1 . 2 ]" 1
302 1 47 TYR HA 1 54 LYS QD 4.000 . 6.000 3.682 3.007 4.595 . 0 0 "[ . 1 . 2 ]" 1
303 1 47 TYR QB 1 53 ILE HA 4.000 . 6.000 2.549 1.787 3.596 0.013 1 0 "[ . 1 . 2 ]" 1
304 1 47 TYR QB 1 48 GLU H 4.000 . 6.000 2.193 1.814 2.790 . 0 0 "[ . 1 . 2 ]" 1
305 1 47 TYR QB 1 55 GLY H 3.000 . 4.300 3.126 2.398 4.003 . 0 0 "[ . 1 . 2 ]" 1
306 1 47 TYR H 1 47 TYR QD 3.000 . 4.300 2.140 1.793 3.457 0.007 19 0 "[ . 1 . 2 ]" 1
307 1 47 TYR QB 1 54 LYS H 4.000 . 6.000 2.399 1.862 3.303 . 0 0 "[ . 1 . 2 ]" 1
308 1 47 TYR QD 1 54 LYS H 4.000 . 6.000 4.095 2.054 4.812 . 0 0 "[ . 1 . 2 ]" 1
309 1 47 TYR H 1 48 GLU H 4.000 . 5.000 4.400 4.132 4.602 . 0 0 "[ . 1 . 2 ]" 1
310 1 48 GLU HA 1 49 ASN H 3.000 . 3.300 3.118 2.686 3.502 0.202 6 0 "[ . 1 . 2 ]" 1
311 1 48 GLU H 1 53 ILE HA 2.500 . 2.700 2.289 1.975 2.667 . 0 0 "[ . 1 . 2 ]" 1
312 1 48 GLU QB 1 53 ILE HA 3.000 . 4.300 2.664 1.780 3.645 0.020 2 0 "[ . 1 . 2 ]" 1
313 1 48 GLU H 1 48 GLU QG 4.000 . 6.000 3.401 2.679 4.015 . 0 0 "[ . 1 . 2 ]" 1
314 1 48 GLU QB 1 52 GLU H 4.000 . 6.000 2.045 1.791 2.512 0.009 8 0 "[ . 1 . 2 ]" 1
315 1 48 GLU QB 1 52 GLU QG 4.000 . 6.000 2.232 1.614 3.257 0.186 18 0 "[ . 1 . 2 ]" 1
316 1 48 GLU QB 1 49 ASN H 3.000 . 4.300 2.015 1.820 2.280 . 0 0 "[ . 1 . 2 ]" 1
317 1 48 GLU H 1 54 LYS QB 3.000 . 4.300 3.272 2.603 3.703 . 0 0 "[ . 1 . 2 ]" 1
318 1 48 GLU H 1 53 ILE MD 4.000 . 6.000 3.959 2.422 5.018 . 0 0 "[ . 1 . 2 ]" 1
319 1 48 GLU H 1 54 LYS H 2.500 . 2.700 2.697 2.070 2.926 0.226 7 0 "[ . 1 . 2 ]" 1
320 1 48 GLU H 1 53 ILE H 4.000 . 5.000 4.443 3.812 4.788 . 0 0 "[ . 1 . 2 ]" 1
321 1 48 GLU HA 1 48 GLU QG 3.000 . 4.300 2.972 1.956 3.536 . 0 0 "[ . 1 . 2 ]" 1
322 1 49 ASN H 1 52 GLU QG 4.000 . 4.300 3.528 2.389 3.950 . 0 0 "[ . 1 . 2 ]" 1
323 1 49 ASN HA 1 50 GLU H 4.000 . 5.000 3.541 3.424 3.585 . 0 0 "[ . 1 . 2 ]" 1
324 1 49 ASN H 1 50 GLU H 2.500 . 2.700 2.084 1.799 2.710 0.010 7 0 "[ . 1 . 2 ]" 1
325 1 49 ASN QB 1 50 GLU H . . 3.300 2.597 2.014 3.077 . 0 0 "[ . 1 . 2 ]" 1
326 1 49 ASN H 1 51 ARG H 2.500 . 2.700 2.735 2.390 2.885 0.185 6 0 "[ . 1 . 2 ]" 1
327 1 49 ASN H 1 52 GLU H 2.500 . 2.700 2.792 2.586 3.006 0.306 17 0 "[ . 1 . 2 ]" 1
328 1 5 ILE HA 1 42 MET QG 4.000 . 6.000 2.854 2.069 3.834 . 0 0 "[ . 1 . 2 ]" 1
329 1 5 ILE HA 1 43 LYS H 2.500 . 2.700 2.550 2.172 2.737 0.037 16 0 "[ . 1 . 2 ]" 1
330 1 5 ILE HA 1 6 ILE H 2.500 . 2.700 2.546 2.245 2.689 . 0 0 "[ . 1 . 2 ]" 1
331 1 5 ILE HB 1 42 MET HA 3.000 . 3.300 3.154 2.182 3.375 0.075 16 0 "[ . 1 . 2 ]" 1
332 1 5 ILE H 1 5 ILE HB 3.000 . 3.300 3.464 3.304 3.596 0.296 7 0 "[ . 1 . 2 ]" 1
333 1 5 ILE H 1 5 ILE QG 3.000 . 4.300 1.842 1.771 2.026 0.029 11 0 "[ . 1 . 2 ]" 1
334 1 5 ILE QG 1 6 ILE H 4.000 . 6.000 2.670 1.746 3.463 0.054 8 0 "[ . 1 . 2 ]" 1
335 1 5 ILE HB 1 6 ILE H 3.000 . 3.300 2.736 2.197 3.537 0.237 8 0 "[ . 1 . 2 ]" 1
336 1 5 ILE HB 1 42 MET QG 3.000 . 4.300 2.666 1.843 3.884 . 0 0 "[ . 1 . 2 ]" 1
337 1 5 ILE HB 1 42 MET QB 4.000 . 6.000 4.469 3.437 5.043 . 0 0 "[ . 1 . 2 ]" 1
338 1 5 ILE QG 1 42 MET HA 4.000 . 6.000 2.943 1.856 3.463 . 0 0 "[ . 1 . 2 ]" 1
339 1 5 ILE QG 1 6 ILE HA 4.000 . 6.000 3.613 3.023 4.158 . 0 0 "[ . 1 . 2 ]" 1
340 1 5 ILE HA 1 42 MET HA 2.500 . 2.700 1.926 1.786 2.121 0.014 16 0 "[ . 1 . 2 ]" 1
341 1 50 GLU HA 1 51 ARG H 4.000 . 5.000 3.292 2.983 3.601 . 0 0 "[ . 1 . 2 ]" 1
342 1 50 GLU H 1 50 GLU QB 2.500 . 3.700 2.609 2.160 3.192 . 0 0 "[ . 1 . 2 ]" 1
343 1 50 GLU QB 1 51 ARG H 3.000 . 4.300 3.342 2.561 3.919 . 0 0 "[ . 1 . 2 ]" 1
344 1 50 GLU H 1 51 ARG H 2.500 . 2.700 1.929 1.800 2.300 . 16 0 "[ . 1 . 2 ]" 1
345 1 50 GLU H 1 52 GLU H 3.000 . 3.300 3.232 2.966 3.433 0.133 21 0 "[ . 1 . 2 ]" 1
346 1 51 ARG HA 1 52 GLU H 4.000 . 5.000 3.415 3.102 3.587 . 0 0 "[ . 1 . 2 ]" 1
347 1 51 ARG QB 1 52 GLU H 3.000 . 4.300 3.163 2.691 3.980 . 0 0 "[ . 1 . 2 ]" 1
348 1 51 ARG H 1 51 ARG QG 4.000 . 6.000 3.765 2.148 4.232 . 0 0 "[ . 1 . 2 ]" 1
349 1 51 ARG H 1 52 GLU H 3.000 . 3.300 1.850 1.801 1.888 . 0 0 "[ . 1 . 2 ]" 1
350 1 52 GLU HA 1 53 ILE H 2.500 . 2.700 2.745 2.195 2.980 0.280 14 0 "[ . 1 . 2 ]" 1
351 1 52 GLU H 1 52 GLU QB 2.500 . 3.700 2.932 2.556 3.338 . 0 0 "[ . 1 . 2 ]" 1
352 1 52 GLU H 1 52 GLU QG 3.000 . 4.300 2.291 1.862 2.815 . 0 0 "[ . 1 . 2 ]" 1
353 1 52 GLU QG 1 53 ILE H 3.000 . 4.300 3.282 1.954 4.093 . 0 0 "[ . 1 . 2 ]" 1
354 1 52 GLU H 1 53 ILE H 4.000 . 5.000 4.205 3.138 4.435 . 0 0 "[ . 1 . 2 ]" 1
355 1 53 ILE HA 1 77 TYR QD 4.000 . 5.000 4.723 4.456 4.893 . 0 0 "[ . 1 . 2 ]" 1
356 1 53 ILE QG 1 77 TYR QD 3.000 . 4.300 2.238 1.846 2.620 . 0 0 "[ . 1 . 2 ]" 1
357 1 53 ILE HA 1 54 LYS H 3.000 . 3.300 2.302 2.203 2.507 . 0 0 "[ . 1 . 2 ]" 1
358 1 53 ILE H 1 53 ILE HB 3.000 . 3.300 2.887 2.532 3.318 0.018 13 0 "[ . 1 . 2 ]" 1
359 1 53 ILE H 1 53 ILE QG 4.000 . 6.000 2.560 1.801 3.416 . 0 0 "[ . 1 . 2 ]" 1
360 1 53 ILE H 1 54 LYS H 4.000 . 5.000 4.289 3.866 4.624 . 0 0 "[ . 1 . 2 ]" 1
361 1 53 ILE H 1 78 LYS QB 3.000 . 4.300 3.357 2.834 3.661 . 0 0 "[ . 1 . 2 ]" 1
362 1 54 LYS HA 1 55 GLY H 4.000 . 5.000 3.640 3.619 3.677 . 0 0 "[ . 1 . 2 ]" 1
363 1 54 LYS H 1 54 LYS QB 2.500 . 3.700 2.308 1.902 2.736 . 0 0 "[ . 1 . 2 ]" 1
364 1 54 LYS QB 1 55 GLY H 3.000 . 4.300 2.134 1.967 2.412 . 0 0 "[ . 1 . 2 ]" 1
365 1 54 LYS QB 1 77 TYR H 4.000 . 6.000 5.357 5.295 5.484 . 0 0 "[ . 1 . 2 ]" 1
366 1 54 LYS HA 1 77 TYR H 4.000 . 5.000 4.226 3.947 4.522 . 0 0 "[ . 1 . 2 ]" 1
367 1 54 LYS HA 1 77 TYR QB 4.000 . 6.000 2.966 2.475 3.527 . 0 0 "[ . 1 . 2 ]" 1
368 1 54 LYS HA 1 78 LYS QB 3.000 . 4.300 2.283 1.761 3.633 0.039 18 0 "[ . 1 . 2 ]" 1
369 1 54 LYS H 1 55 GLY H 3.000 . 3.300 2.793 2.325 3.283 . 0 0 "[ . 1 . 2 ]" 1
370 1 55 GLY QA 1 76 ASP HA 3.000 . 4.300 2.353 1.737 3.302 0.063 6 0 "[ . 1 . 2 ]" 1
371 1 55 GLY QA 1 76 ASP QB 4.000 . 6.000 3.994 3.253 4.771 . 0 0 "[ . 1 . 2 ]" 1
372 1 55 GLY QA 1 77 TYR H 3.000 . 4.300 3.310 2.985 3.962 . 0 0 "[ . 1 . 2 ]" 1
373 1 55 GLY QA 1 77 TYR HA 4.000 . 6.000 4.308 3.543 4.953 . 0 0 "[ . 1 . 2 ]" 1
374 1 55 GLY QA 1 77 TYR QB 4.000 . 6.000 2.170 1.800 2.920 . 0 0 "[ . 1 . 2 ]" 1
375 1 55 GLY QA 1 56 TYR H 3.000 . 4.300 2.278 2.147 2.318 . 0 0 "[ . 1 . 2 ]" 1
376 1 55 GLY H 1 56 TYR H 4.000 . 5.000 4.416 4.242 4.497 . 0 0 "[ . 1 . 2 ]" 1
377 1 56 TYR HA 1 56 TYR QD 4.000 . 6.000 2.692 2.075 3.145 . 0 0 "[ . 1 . 2 ]" 1
378 1 56 TYR HA 1 57 GLU H 2.500 . 2.700 2.312 2.208 2.564 . 0 0 "[ . 1 . 2 ]" 1
379 1 56 TYR H 1 56 TYR QD 4.000 . 6.000 4.043 2.250 4.404 . 0 0 "[ . 1 . 2 ]" 1
380 1 56 TYR QB 1 57 GLU H 4.000 . 6.000 3.824 2.182 4.083 . 0 0 "[ . 1 . 2 ]" 1
381 1 56 TYR QD 1 75 GLU H 4.000 . 6.000 4.795 4.273 5.620 . 0 0 "[ . 1 . 2 ]" 1
382 1 56 TYR H 1 75 GLU H 3.000 . 3.300 2.947 2.626 3.324 0.024 3 0 "[ . 1 . 2 ]" 1
383 1 56 TYR QB 1 75 GLU H 4.000 . 6.000 3.856 3.203 4.202 . 0 0 "[ . 1 . 2 ]" 1
384 1 56 TYR QB 1 75 GLU QB 3.000 . 4.300 2.712 1.945 3.374 . 0 0 "[ . 1 . 2 ]" 1
385 1 56 TYR H 1 75 GLU QB 3.000 . 4.300 3.456 2.001 3.912 . 0 0 "[ . 1 . 2 ]" 1
386 1 57 GLU HA 1 75 GLU H 3.000 . 3.300 3.188 2.665 3.444 0.144 14 0 "[ . 1 . 2 ]" 1
387 1 57 GLU H 1 57 GLU QG 3.000 . 4.300 2.293 1.853 3.875 . 0 0 "[ . 1 . 2 ]" 1
388 1 57 GLU HA 1 58 TYR H 2.500 . 2.700 2.449 2.256 2.631 . 0 0 "[ . 1 . 2 ]" 1
389 1 57 GLU HA 1 74 SER HA 2.500 . 2.700 1.917 1.802 2.491 . 0 0 "[ . 1 . 2 ]" 1
390 1 57 GLU HA 1 74 SER QB 4.000 . 6.000 3.959 3.180 4.680 . 0 0 "[ . 1 . 2 ]" 1
391 1 57 GLU H 1 57 GLU QB 3.000 . 4.300 2.755 2.239 3.400 . 0 0 "[ . 1 . 2 ]" 1
392 1 57 GLU QB 1 58 TYR H 4.000 . 6.000 2.856 2.394 3.514 . 0 0 "[ . 1 . 2 ]" 1
393 1 58 TYR HA 1 58 TYR QD 4.000 . 6.000 3.344 1.940 3.636 . 0 0 "[ . 1 . 2 ]" 1
394 1 58 TYR HA 1 59 GLN H 3.000 . 4.300 2.352 2.166 2.483 . 0 0 "[ . 1 . 2 ]" 1
395 1 58 TYR QB 1 59 GLN H 4.000 . 6.000 2.885 2.364 3.824 . 0 0 "[ . 1 . 2 ]" 1
396 1 58 TYR QD 1 59 GLN H 4.000 . 6.000 3.111 1.796 3.610 0.004 4 0 "[ . 1 . 2 ]" 1
397 1 58 TYR QD 1 73 ILE HB 3.000 . 4.300 2.804 2.207 3.526 . 0 0 "[ . 1 . 2 ]" 1
398 1 58 TYR QD 1 73 ILE H 4.000 . 6.000 2.450 1.809 4.153 . 0 0 "[ . 1 . 2 ]" 1
399 1 58 TYR H 1 73 ILE H 3.000 . 3.300 2.736 2.115 3.316 0.016 6 0 "[ . 1 . 2 ]" 1
400 1 58 TYR H 1 73 ILE HB 4.000 . 5.000 4.378 3.204 4.854 . 0 0 "[ . 1 . 2 ]" 1
401 1 58 TYR H 1 74 SER HA . . 3.300 3.476 3.346 3.537 0.237 9 0 "[ . 1 . 2 ]" 1
402 1 59 GLN HA 1 60 LEU H 4.000 . 5.000 2.241 2.219 2.300 . 0 0 "[ . 1 . 2 ]" 1
403 1 59 GLN HA 1 72 ASP HA 2.500 . 2.700 2.701 2.398 2.785 0.085 18 0 "[ . 1 . 2 ]" 1
404 1 59 GLN H 1 59 GLN HA 3.000 . 4.300 2.991 2.979 2.998 . 0 0 "[ . 1 . 2 ]" 1
405 1 59 GLN H 1 59 GLN QB 2.500 . 3.700 2.585 2.315 3.065 . 0 0 "[ . 1 . 2 ]" 1
406 1 59 GLN HA 1 59 GLN QG 3.000 . 4.300 2.594 2.169 3.378 . 0 0 "[ . 1 . 2 ]" 1
407 1 59 GLN H 1 60 LEU H 4.000 . 5.000 4.180 3.977 4.285 . 0 0 "[ . 1 . 2 ]" 1
408 1 6 ILE HA 1 7 ASP H 4.000 . 6.000 2.838 2.660 3.133 . 0 0 "[ . 1 . 2 ]" 1
409 1 6 ILE HB 1 7 ASP H 2.500 . 2.700 2.096 1.846 2.567 . 0 0 "[ . 1 . 2 ]" 1
410 1 6 ILE HB 1 11 PHE H 3.000 . 3.300 3.143 2.598 3.381 0.081 1 0 "[ . 1 . 2 ]" 1
411 1 6 ILE QG 1 7 ASP H 3.000 . 4.300 2.534 1.850 3.140 . 0 0 "[ . 1 . 2 ]" 1
412 1 6 ILE H 1 6 ILE QG 4.000 . 6.000 1.940 1.771 2.333 0.029 1 0 "[ . 1 . 2 ]" 1
413 1 6 ILE QG 1 41 CYS QB 4.000 . 6.000 2.592 1.567 3.796 0.233 5 0 "[ . 1 . 2 ]" 1
414 1 6 ILE QG 1 43 LYS QB 4.000 . 6.000 3.083 2.728 3.537 . 0 0 "[ . 1 . 2 ]" 1
415 1 6 ILE QG 1 43 LYS H 4.000 . 6.000 4.235 3.529 4.648 . 0 0 "[ . 1 . 2 ]" 1
416 1 6 ILE H 1 42 MET HA 4.000 . 5.000 3.220 2.805 3.950 . 0 0 "[ . 1 . 2 ]" 1
417 1 6 ILE H 1 7 ASP H 4.000 . 5.000 4.359 4.058 4.480 . 0 0 "[ . 1 . 2 ]" 1
418 1 60 LEU HA 1 61 TYR H 3.000 . 3.300 2.482 2.351 2.625 . 0 0 "[ . 1 . 2 ]" 1
419 1 60 LEU QB 1 61 TYR H 4.000 . 6.000 4.048 4.001 4.075 . 0 0 "[ . 1 . 2 ]" 1
420 1 60 LEU H 1 60 LEU QD 4.000 . 6.000 3.741 3.530 3.835 . 0 0 "[ . 1 . 2 ]" 1
421 1 60 LEU H 1 60 LEU HG 4.000 . 6.000 4.323 4.206 4.448 . 0 0 "[ . 1 . 2 ]" 1
422 1 60 LEU HG 1 63 TYR H 4.000 . 6.000 5.916 5.592 6.151 0.151 5 0 "[ . 1 . 2 ]" 1
423 1 60 LEU HA 1 60 LEU QD 4.000 . 6.000 2.631 1.828 3.027 . 0 0 "[ . 1 . 2 ]" 1
424 1 60 LEU H 1 70 ARG QG 2.500 . 3.700 1.788 1.725 1.983 0.075 14 0 "[ . 1 . 2 ]" 1
425 1 60 LEU HG 1 71 ALA H 4.000 . 6.000 3.775 3.301 4.293 . 0 0 "[ . 1 . 2 ]" 1
426 1 60 LEU H 1 71 ALA H 3.000 . 3.300 2.914 2.307 3.329 0.029 20 0 "[ . 1 . 2 ]" 1
427 1 60 LEU H 1 72 ASP HA 3.000 . 3.300 3.286 3.050 3.409 0.109 8 0 "[ . 1 . 2 ]" 1
428 1 60 LEU H 1 72 ASP H 4.000 . 5.000 4.591 4.329 4.914 . 0 0 "[ . 1 . 2 ]" 1
429 1 60 LEU H 1 61 TYR QB 4.000 . 5.000 4.683 4.556 4.797 . 0 0 "[ . 1 . 2 ]" 1
430 1 61 TYR HA 1 62 VAL H 3.000 . 3.300 2.217 2.190 2.245 . 0 0 "[ . 1 . 2 ]" 1
431 1 61 TYR H 1 61 TYR QB 3.000 . 4.300 2.048 1.934 2.139 . 0 0 "[ . 1 . 2 ]" 1
432 1 61 TYR QB 1 62 VAL H 4.000 . 6.000 3.966 3.913 4.003 . 0 0 "[ . 1 . 2 ]" 1
433 1 61 TYR H 1 61 TYR QD 3.000 . 4.300 4.063 3.944 4.122 . 0 0 "[ . 1 . 2 ]" 1
434 1 61 TYR HA 1 70 ARG HA 2.500 . 2.700 1.840 1.740 2.215 0.060 11 0 "[ . 1 . 2 ]" 1
435 1 62 VAL H 1 69 PHE H 3.000 . 3.300 3.490 3.421 3.558 0.258 16 0 "[ . 1 . 2 ]" 1
436 1 62 VAL H 1 70 ARG HA 2.500 . 2.700 2.665 2.438 2.760 0.060 10 0 "[ . 1 . 2 ]" 1
437 1 62 VAL HA 1 63 TYR H 2.500 . 2.700 2.785 2.514 2.944 0.244 16 0 "[ . 1 . 2 ]" 1
438 1 62 VAL QG 1 69 PHE H 4.000 . 6.000 3.973 3.828 4.193 . 0 0 "[ . 1 . 2 ]" 1
439 1 62 VAL H 1 62 VAL HB 4.000 . 5.000 3.885 3.485 3.963 . 0 0 "[ . 1 . 2 ]" 1
440 1 62 VAL H 1 62 VAL QG 4.000 . 6.000 2.073 1.973 2.264 . 0 0 "[ . 1 . 2 ]" 1
441 1 63 TYR HA 1 63 TYR QD 2.500 . 3.700 2.188 1.788 3.061 0.012 12 0 "[ . 1 . 2 ]" 1
442 1 63 TYR HA 1 68 LEU HA 3.000 . 3.300 2.796 2.340 3.140 . 0 0 "[ . 1 . 2 ]" 1
443 1 63 TYR HA 1 64 ALA H 3.000 . 3.300 2.221 2.181 2.465 . 0 0 "[ . 1 . 2 ]" 1
444 1 63 TYR HA 1 69 PHE H 3.000 . 3.300 3.278 2.927 3.389 0.089 11 0 "[ . 1 . 2 ]" 1
445 1 63 TYR H 1 63 TYR QD 4.000 . 6.000 4.293 4.250 4.335 . 0 0 "[ . 1 . 2 ]" 1
446 1 63 TYR QD 1 64 ALA H 3.000 . 4.300 2.032 1.821 2.562 . 0 0 "[ . 1 . 2 ]" 1
447 1 63 TYR QE 1 68 LEU H 4.000 . 6.000 4.577 3.976 5.666 . 0 0 "[ . 1 . 2 ]" 1
448 1 64 ALA HA 1 65 SER H 3.000 . 3.300 3.238 3.063 3.416 0.116 9 0 "[ . 1 . 2 ]" 1
449 1 35 ASN H 1 64 ALA MB 4.000 . 6.000 2.398 2.110 4.242 . 0 0 "[ . 1 . 2 ]" 1
450 1 64 ALA MB 1 65 SER H 4.000 . 6.000 1.813 1.759 1.896 0.041 9 0 "[ . 1 . 2 ]" 1
451 1 64 ALA H 1 65 SER H 4.000 . 5.000 3.784 3.330 4.042 . 0 0 "[ . 1 . 2 ]" 1
452 1 64 ALA H 1 67 LYS H 4.000 . 5.000 2.796 2.309 3.345 . 0 0 "[ . 1 . 2 ]" 1
453 1 64 ALA H 1 67 LYS QE 3.000 . 4.300 3.720 3.183 3.989 . 0 0 "[ . 1 . 2 ]" 1
454 1 65 SER HA 1 66 ASP H 4.000 . 5.000 3.505 3.326 3.580 . 0 0 "[ . 1 . 2 ]" 1
455 1 65 SER QB 1 66 ASP H 3.000 . 4.300 2.966 2.186 3.530 . 0 0 "[ . 1 . 2 ]" 1
456 1 65 SER H 1 66 ASP H 3.000 . 3.300 2.194 1.851 2.509 . 0 0 "[ . 1 . 2 ]" 1
457 1 66 ASP HA 1 67 LYS H 3.000 . 3.300 3.156 2.888 3.332 0.032 8 0 "[ . 1 . 2 ]" 1
458 1 66 ASP H 1 66 ASP QB 3.000 . 4.300 2.716 2.394 3.229 . 0 0 "[ . 1 . 2 ]" 1
459 1 66 ASP QB 1 67 LYS H 4.000 . 6.000 3.673 3.315 3.996 . 0 0 "[ . 1 . 2 ]" 1
460 1 66 ASP H 1 67 LYS H 3.000 . 3.300 1.944 1.855 2.470 . 0 0 "[ . 1 . 2 ]" 1
461 1 67 LYS H 1 67 LYS QG 4.000 . 6.000 3.957 3.780 4.034 . 0 0 "[ . 1 . 2 ]" 1
462 1 67 LYS HA 1 68 LEU H 2.500 . 2.700 2.360 2.222 2.491 . 0 0 "[ . 1 . 2 ]" 1
463 1 67 LYS H 1 67 LYS QB 3.000 . 4.300 2.231 2.047 2.535 . 0 0 "[ . 1 . 2 ]" 1
464 1 67 LYS QB 1 68 LEU H 3.000 . 4.300 4.022 3.935 4.043 . 0 0 "[ . 1 . 2 ]" 1
465 1 67 LYS H 1 67 LYS QD 4.000 . 6.000 3.679 3.109 4.237 . 0 0 "[ . 1 . 2 ]" 1
466 1 67 LYS QG 1 68 LEU H 3.000 . 4.300 3.605 3.448 3.738 . 0 0 "[ . 1 . 2 ]" 1
467 1 67 LYS H 1 68 LEU H 4.000 . 5.000 3.791 3.511 4.120 . 0 0 "[ . 1 . 2 ]" 1
468 1 68 LEU HA 1 69 PHE H 2.500 . 2.700 2.644 2.557 2.719 0.019 11 0 "[ . 1 . 2 ]" 1
469 1 68 LEU H 1 68 LEU QB 3.000 . 4.300 2.261 1.998 3.016 . 0 0 "[ . 1 . 2 ]" 1
470 1 68 LEU QB 1 69 PHE H 3.000 . 4.300 3.936 3.900 3.971 . 0 0 "[ . 1 . 2 ]" 1
471 1 68 LEU QD 1 69 PHE H 4.000 . 6.000 4.277 3.532 4.587 . 0 0 "[ . 1 . 2 ]" 1
472 1 69 PHE QB 1 70 ARG H 4.000 . 6.000 1.789 1.710 2.102 0.090 19 0 "[ . 1 . 2 ]" 1
473 1 69 PHE H 1 69 PHE QD 4.000 . 6.000 2.737 2.227 4.248 . 0 0 "[ . 1 . 2 ]" 1
474 1 69 PHE QB 1 89 GLY QA 4.000 . 6.000 3.230 2.600 3.652 . 0 0 "[ . 1 . 2 ]" 1
475 1 69 PHE QB 1 90 PRO HA 3.000 . 4.300 1.852 1.732 2.536 0.068 1 0 "[ . 1 . 2 ]" 1
476 1 69 PHE QE 1 88 ASN HA 3.000 . 4.300 3.181 2.306 4.282 . 0 0 "[ . 1 . 2 ]" 1
477 1 7 ASP HA 1 8 ILE H 2.500 . 2.700 2.737 2.192 2.963 0.263 8 0 "[ . 1 . 2 ]" 1
478 1 7 ASP HA 1 9 GLY H 4.000 . 5.000 4.465 3.498 5.004 0.004 18 0 "[ . 1 . 2 ]" 1
479 1 7 ASP H 1 9 GLY H 3.000 . 3.300 3.149 2.850 3.595 0.295 12 0 "[ . 1 . 2 ]" 1
480 1 7 ASP H 1 7 ASP QB 3.000 . 4.300 2.677 2.337 3.443 . 0 0 "[ . 1 . 2 ]" 1
481 1 7 ASP QB 1 8 ILE H 4.000 . 6.000 3.464 1.844 4.045 . 0 0 "[ . 1 . 2 ]" 1
482 1 7 ASP H 1 8 ILE H 3.000 . 4.300 3.140 1.940 4.208 . 0 0 "[ . 1 . 2 ]" 1
483 1 7 ASP H 1 11 PHE H 4.000 . 5.000 4.138 3.245 5.009 0.009 10 0 "[ . 1 . 2 ]" 1
484 1 70 ARG H 1 88 ASN H 3.000 . 3.300 3.104 2.848 3.333 0.033 17 0 "[ . 1 . 2 ]" 1
485 1 70 ARG H 1 88 ASN QB 4.000 . 6.000 4.731 1.999 5.199 . 0 0 "[ . 1 . 2 ]" 1
486 1 70 ARG H 1 89 GLY QA 4.000 . 6.000 4.028 3.391 5.202 . 0 0 "[ . 1 . 2 ]" 1
487 1 70 ARG HA 1 71 ALA H 4.000 . 5.000 2.191 2.156 2.262 . 0 0 "[ . 1 . 2 ]" 1
488 1 70 ARG H 1 70 ARG QB 2.500 . 3.700 2.418 2.237 2.694 . 0 0 "[ . 1 . 2 ]" 1
489 1 70 ARG QB 1 71 ALA H 3.000 . 4.300 3.635 3.366 3.872 . 0 0 "[ . 1 . 2 ]" 1
490 1 70 ARG QB 1 71 ALA HA 4.000 . 6.000 4.693 4.453 4.881 . 0 0 "[ . 1 . 2 ]" 1
491 1 70 ARG H 1 70 ARG QG 4.000 . 6.000 4.050 3.962 4.136 . 0 0 "[ . 1 . 2 ]" 1
492 1 70 ARG QB 1 88 ASN H 4.000 . 4.300 3.629 3.558 3.722 . 0 0 "[ . 1 . 2 ]" 1
493 1 71 ALA HA 1 72 ASP H 2.500 . 2.700 2.283 2.253 2.340 . 0 0 "[ . 1 . 2 ]" 1
494 1 71 ALA MB 1 72 ASP H 4.000 . 6.000 3.557 3.443 3.653 . 0 0 "[ . 1 . 2 ]" 1
495 1 71 ALA HA 1 86 ARG QB 4.000 . 6.000 4.297 4.024 5.220 . 0 0 "[ . 1 . 2 ]" 1
496 1 71 ALA HA 1 87 PHE H 4.000 . 5.000 4.519 4.008 4.902 . 0 0 "[ . 1 . 2 ]" 1
497 1 71 ALA HA 1 87 PHE HA 2.500 . 2.700 2.494 2.135 2.735 0.035 16 0 "[ . 1 . 2 ]" 1
498 1 71 ALA HA 1 87 PHE QB 4.000 . 6.000 4.111 3.677 4.655 . 0 0 "[ . 1 . 2 ]" 1
499 1 72 ASP HA 1 73 ILE H 2.500 . 2.700 2.401 2.304 2.505 . 0 0 "[ . 1 . 2 ]" 1
500 1 72 ASP H 1 86 ARG H 3.000 . 3.300 2.286 1.890 2.521 . 0 0 "[ . 1 . 2 ]" 1
501 1 72 ASP H 1 86 ARG QB 3.000 . 4.300 2.726 2.312 3.974 . 0 0 "[ . 1 . 2 ]" 1
502 1 72 ASP H 1 86 ARG QG 3.000 . 4.300 3.574 1.870 3.953 . 0 0 "[ . 1 . 2 ]" 1
503 1 72 ASP H 1 85 LEU HG 3.000 . 4.300 4.222 3.892 4.402 0.102 14 0 "[ . 1 . 2 ]" 1
504 1 72 ASP H 1 85 LEU QB 4.000 . 6.000 4.469 4.050 4.803 . 0 0 "[ . 1 . 2 ]" 1
505 1 72 ASP QB 1 73 ILE H 4.000 . 6.000 3.275 2.527 4.066 . 0 0 "[ . 1 . 2 ]" 1
506 1 72 ASP QB 1 86 ARG H 3.000 . 4.300 2.541 2.106 3.333 . 0 0 "[ . 1 . 2 ]" 1
507 1 73 ILE HA 1 74 SER H 2.500 . 2.700 2.214 2.187 2.262 . 0 0 "[ . 1 . 2 ]" 1
508 1 73 ILE HA 1 84 LEU H 4.000 . 5.000 4.101 3.557 4.935 . 0 0 "[ . 1 . 2 ]" 1
509 1 73 ILE HA 1 85 LEU HA 2.500 . 2.700 2.105 1.818 2.736 0.036 4 0 "[ . 1 . 2 ]" 1
510 1 73 ILE HA 1 85 LEU QB 3.000 . 4.300 2.498 1.759 3.001 0.041 4 0 "[ . 1 . 2 ]" 1
511 1 73 ILE H 1 73 ILE HB 3.000 . 3.300 2.849 1.934 3.134 . 0 0 "[ . 1 . 2 ]" 1
512 1 73 ILE MD 1 74 SER H 3.000 . 4.300 2.676 1.852 3.478 . 0 0 "[ . 1 . 2 ]" 1
513 1 73 ILE MD 1 84 LEU H 4.000 . 6.000 3.080 2.174 4.585 . 0 0 "[ . 1 . 2 ]" 1
514 1 74 SER HA 1 75 GLU H 3.000 . 3.300 2.345 2.227 2.452 . 0 0 "[ . 1 . 2 ]" 1
515 1 74 SER QB 1 75 GLU H 4.000 . 6.000 3.441 2.867 3.788 . 0 0 "[ . 1 . 2 ]" 1
516 1 74 SER H 1 74 SER HG 4.000 . 5.000 4.248 3.609 4.631 . 0 0 "[ . 1 . 2 ]" 1
517 1 74 SER H 1 75 GLU H 4.000 . 5.000 4.506 4.251 4.638 . 0 0 "[ . 1 . 2 ]" 1
518 1 74 SER H 1 84 LEU H 3.000 . 3.300 2.764 1.958 3.316 0.016 6 0 "[ . 1 . 2 ]" 1
519 1 74 SER QB 1 84 LEU QB 3.000 . 4.300 3.130 1.807 3.608 . 0 0 "[ . 1 . 2 ]" 1
520 1 74 SER QB 1 84 LEU HG 4.000 . 6.000 4.926 1.871 5.517 . 0 0 "[ . 1 . 2 ]" 1
521 1 75 GLU HA 1 76 ASP H 3.000 . 3.300 2.228 2.165 2.404 . 0 0 "[ . 1 . 2 ]" 1
522 1 75 GLU H 1 75 GLU QB 3.000 . 4.300 2.654 2.370 2.873 . 0 0 "[ . 1 . 2 ]" 1
523 1 75 GLU HA 1 82 ARG H 3.000 . 3.300 3.403 3.314 3.527 0.227 8 0 "[ . 1 . 2 ]" 1
524 1 75 GLU HA 1 82 ARG QB 4.000 . 6.000 4.315 3.433 5.113 . 0 0 "[ . 1 . 2 ]" 1
525 1 75 GLU HA 1 83 LYS QG 3.000 . 4.300 3.127 2.431 3.645 . 0 0 "[ . 1 . 2 ]" 1
526 1 75 GLU HA 1 83 LYS HA 2.500 . 2.700 2.632 2.398 2.789 0.089 18 0 "[ . 1 . 2 ]" 1
527 1 75 GLU HA 1 83 LYS QB 4.000 . 6.000 4.335 3.626 4.762 . 0 0 "[ . 1 . 2 ]" 1
528 1 75 GLU HA 1 75 GLU QG 3.000 . 4.300 2.116 1.914 2.559 . 0 0 "[ . 1 . 2 ]" 1
529 1 75 GLU QG 1 83 LYS HA 3.000 . 4.300 2.345 1.745 3.197 0.055 6 0 "[ . 1 . 2 ]" 1
530 1 75 GLU QG 1 83 LYS QG 4.000 . 6.000 2.324 1.742 3.588 0.058 8 0 "[ . 1 . 2 ]" 1
531 1 75 GLU QG 1 83 LYS QB 4.000 . 6.000 3.486 2.504 4.558 . 0 0 "[ . 1 . 2 ]" 1
532 1 75 GLU H 1 75 GLU QG 4.000 . 6.000 3.687 2.640 4.103 . 0 0 "[ . 1 . 2 ]" 1
533 1 75 GLU H 1 76 ASP H 4.000 . 5.000 4.003 3.615 4.479 . 0 0 "[ . 1 . 2 ]" 1
534 1 76 ASP HA 1 77 TYR H 3.000 . 3.300 2.757 2.350 3.122 . 0 0 "[ . 1 . 2 ]" 1
535 1 76 ASP HA 1 78 LYS H 4.000 . 5.000 4.762 4.150 5.027 0.027 2 0 "[ . 1 . 2 ]" 1
536 1 76 ASP H 1 76 ASP QB 3.000 . 4.300 2.135 1.928 2.487 . 0 0 "[ . 1 . 2 ]" 1
537 1 76 ASP QB 1 81 GLY QA 3.000 . 4.300 2.377 1.739 2.998 0.061 8 0 "[ . 1 . 2 ]" 1
538 1 76 ASP QB 1 80 ARG H 4.000 . 6.000 3.080 1.834 3.836 . 0 0 "[ . 1 . 2 ]" 1
539 1 76 ASP QB 1 81 GLY H 4.000 . 6.000 1.987 1.713 3.052 0.087 15 0 "[ . 1 . 2 ]" 1
540 1 76 ASP HA 1 81 GLY H 4.000 . 5.000 3.297 1.831 5.116 0.116 18 0 "[ . 1 . 2 ]" 1
541 1 76 ASP HA 1 82 ARG H 4.000 . 5.000 3.499 2.490 4.797 . 0 0 "[ . 1 . 2 ]" 1
542 1 76 ASP QB 1 82 ARG H 3.000 . 4.300 2.226 1.829 2.929 . 0 0 "[ . 1 . 2 ]" 1
543 1 76 ASP H 1 77 TYR H 4.000 . 5.000 4.505 4.203 4.769 . 0 0 "[ . 1 . 2 ]" 1
544 1 76 ASP H 1 82 ARG HA 4.000 . 5.000 3.882 2.508 4.628 . 0 0 "[ . 1 . 2 ]" 1
545 1 76 ASP H 1 81 GLY QA 3.000 . 4.300 3.518 2.638 3.984 . 0 0 "[ . 1 . 2 ]" 1
546 1 76 ASP H 1 82 ARG QB 3.000 . 4.300 3.871 1.905 4.102 . 0 0 "[ . 1 . 2 ]" 1
547 1 76 ASP H 1 82 ARG QG 4.000 . 6.000 4.970 3.794 5.437 . 0 0 "[ . 1 . 2 ]" 1
548 1 76 ASP H 1 82 ARG H 2.500 . 2.700 1.996 1.783 2.266 0.017 18 0 "[ . 1 . 2 ]" 1
549 1 76 ASP H 1 83 LYS HA 4.000 . 5.000 4.188 3.648 4.571 . 0 0 "[ . 1 . 2 ]" 1
550 1 77 TYR HA 1 78 LYS H 4.000 . 5.000 3.587 3.541 3.611 . 0 0 "[ . 1 . 2 ]" 1
551 1 77 TYR H 1 77 TYR QB 3.000 . 4.300 2.770 2.614 3.058 . 0 0 "[ . 1 . 2 ]" 1
552 1 77 TYR HA 1 77 TYR QD 4.000 . 6.000 2.384 1.878 3.152 . 0 0 "[ . 1 . 2 ]" 1
553 1 77 TYR H 1 78 LYS H 2.500 . 2.700 2.455 1.874 2.730 0.030 8 0 "[ . 1 . 2 ]" 1
554 1 77 TYR QB 1 78 LYS H 3.000 . 4.300 2.136 1.848 2.623 . 0 0 "[ . 1 . 2 ]" 1
555 1 77 TYR H 1 79 THR H 3.000 . 3.300 3.251 2.720 3.433 0.133 1 0 "[ . 1 . 2 ]" 1
556 1 77 TYR H 1 80 ARG HA 3.000 . 3.300 3.406 3.044 3.735 0.435 18 0 "[ . 1 . 2 ]" 1
557 1 77 TYR H 1 81 GLY H 3.000 . 3.300 2.705 2.071 3.433 0.133 15 0 "[ . 1 . 2 ]" 1
558 1 77 TYR H 1 80 ARG H 3.000 . 3.300 2.721 1.860 3.278 . 0 0 "[ . 1 . 2 ]" 1
559 1 77 TYR H 1 80 ARG QB 4.000 . 6.000 5.089 4.756 5.272 . 0 0 "[ . 1 . 2 ]" 1
560 1 78 LYS H 1 78 LYS QB 3.000 . 4.300 2.305 1.976 2.666 . 0 0 "[ . 1 . 2 ]" 1
561 1 78 LYS H 1 78 LYS QG 4.000 . 6.000 3.905 2.311 4.266 . 0 0 "[ . 1 . 2 ]" 1
562 1 78 LYS H 1 79 THR H 2.500 . 2.700 2.262 1.846 2.794 0.094 5 0 "[ . 1 . 2 ]" 1
563 1 78 LYS H 1 80 ARG H 3.000 . 3.300 3.292 2.731 3.443 0.143 18 0 "[ . 1 . 2 ]" 1
564 1 78 LYS HA 1 80 ARG H 4.000 . 5.000 3.948 3.530 5.164 0.164 9 0 "[ . 1 . 2 ]" 1
565 1 79 THR HA 1 80 ARG H 4.000 . 5.000 3.287 2.967 3.568 . 0 0 "[ . 1 . 2 ]" 1
566 1 79 THR HB 1 80 ARG H 4.000 . 5.000 3.685 1.922 4.439 . 0 0 "[ . 1 . 2 ]" 1
567 1 79 THR H 1 80 ARG H 3.000 . 3.300 2.486 1.906 2.820 . 0 0 "[ . 1 . 2 ]" 1
568 1 79 THR H 1 79 THR HG1 3.000 . 4.300 2.448 1.848 3.353 . 0 0 "[ . 1 . 2 ]" 1
569 1 79 THR H 1 79 THR HB 2.500 . 3.700 2.883 2.111 3.560 . 0 0 "[ . 1 . 2 ]" 1
570 1 8 ILE HA 1 9 GLY H 3.000 . 3.300 2.838 2.639 3.188 . 0 0 "[ . 1 . 2 ]" 1
571 1 8 ILE HA 1 38 ILE QG 4.000 . 6.000 2.649 1.776 3.596 0.024 11 0 "[ . 1 . 2 ]" 1
572 1 8 ILE H 1 8 ILE HB 4.000 . 5.000 2.995 2.717 3.891 . 0 0 "[ . 1 . 2 ]" 1
573 1 8 ILE QG 1 9 GLY H 3.000 . 4.300 3.387 3.059 3.652 . 0 0 "[ . 1 . 2 ]" 1
574 1 8 ILE MD 1 38 ILE H 4.000 . 6.000 4.059 2.152 5.018 . 0 0 "[ . 1 . 2 ]" 1
575 1 8 ILE H 1 8 ILE QG 4.000 . 6.000 2.764 1.847 3.259 . 0 0 "[ . 1 . 2 ]" 1
576 1 8 ILE H 1 9 GLY H 2.500 . 2.700 2.860 1.799 2.982 0.282 1 0 "[ . 1 . 2 ]" 1
577 1 8 ILE H 1 38 ILE MD 4.000 . 6.000 3.675 2.118 4.925 . 0 0 "[ . 1 . 2 ]" 1
578 1 80 ARG HA 1 81 GLY H 3.000 . 3.300 2.812 2.131 3.124 . 0 0 "[ . 1 . 2 ]" 1
579 1 80 ARG QB 1 81 GLY H 4.000 . 6.000 3.826 3.564 4.088 . 0 0 "[ . 1 . 2 ]" 1
580 1 80 ARG QG 1 81 GLY H 4.000 . 6.000 4.435 3.732 4.882 . 0 0 "[ . 1 . 2 ]" 1
581 1 80 ARG H 1 80 ARG QD 3.000 . 4.300 2.816 1.984 3.907 . 0 0 "[ . 1 . 2 ]" 1
582 1 80 ARG H 1 80 ARG HE 3.000 . 4.300 3.871 2.075 4.415 0.115 1 0 "[ . 1 . 2 ]" 1
583 1 80 ARG H 1 80 ARG QG 3.000 . 4.300 2.936 2.317 3.795 . 0 0 "[ . 1 . 2 ]" 1
584 1 80 ARG H 1 81 GLY H 3.000 . 3.300 2.734 1.799 3.452 0.152 8 0 "[ . 1 . 2 ]" 1
585 1 81 GLY H 1 82 ARG H 4.000 . 5.000 3.786 3.218 4.375 . 0 0 "[ . 1 . 2 ]" 1
586 1 82 ARG HA 1 83 LYS H 2.500 . 2.700 2.579 2.290 2.770 0.070 8 0 "[ . 1 . 2 ]" 1
587 1 82 ARG H 1 82 ARG QB 3.000 . 4.300 2.768 2.544 3.161 . 0 0 "[ . 1 . 2 ]" 1
588 1 82 ARG QB 1 83 LYS H 3.000 . 4.300 2.347 1.831 3.897 . 0 0 "[ . 1 . 2 ]" 1
589 1 82 ARG H 1 82 ARG QG 3.000 . 4.300 3.605 2.632 3.930 . 0 0 "[ . 1 . 2 ]" 1
590 1 83 LYS HA 1 84 LEU H 3.000 . 3.300 2.295 2.236 2.411 . 0 0 "[ . 1 . 2 ]" 1
591 1 83 LYS H 1 83 LYS QG 3.000 . 4.300 3.416 2.611 3.920 . 0 0 "[ . 1 . 2 ]" 1
592 1 84 LEU HA 1 85 LEU H 4.000 . 5.000 2.523 2.196 2.740 . 0 0 "[ . 1 . 2 ]" 1
593 1 84 LEU H 1 84 LEU QB 2.500 . 3.700 2.852 2.783 3.278 . 0 0 "[ . 1 . 2 ]" 1
594 1 84 LEU QB 1 85 LEU H 3.000 . 4.300 3.023 1.953 3.828 . 0 0 "[ . 1 . 2 ]" 1
595 1 84 LEU H 1 85 LEU H 4.000 . 5.000 4.321 4.001 4.410 . 0 0 "[ . 1 . 2 ]" 1
596 1 85 LEU HA 1 86 ARG H 4.000 . 5.000 2.528 2.408 2.638 . 0 0 "[ . 1 . 2 ]" 1
597 1 85 LEU QB 1 86 ARG H 3.000 . 4.300 2.880 2.524 3.245 . 0 0 "[ . 1 . 2 ]" 1
598 1 85 LEU H 1 85 LEU QD 3.000 . 4.300 2.167 1.759 2.688 0.041 15 0 "[ . 1 . 2 ]" 1
599 1 85 LEU QD 1 86 ARG H 3.000 . 4.300 3.301 3.152 3.389 . 0 0 "[ . 1 . 2 ]" 1
600 1 85 LEU H 1 85 LEU HG 4.000 . 5.000 3.966 3.720 4.169 . 0 0 "[ . 1 . 2 ]" 1
601 1 85 LEU HG 1 86 ARG H 3.000 . 3.300 2.440 2.239 2.630 . 0 0 "[ . 1 . 2 ]" 1
602 1 85 LEU H 1 86 ARG H 4.000 . 5.000 4.433 4.375 4.535 . 0 0 "[ . 1 . 2 ]" 1
603 1 86 ARG HA 1 87 PHE H 3.000 . 3.300 2.440 2.194 2.676 . 0 0 "[ . 1 . 2 ]" 1
604 1 86 ARG H 1 86 ARG QB 3.000 . 4.300 2.839 2.562 3.345 . 0 0 "[ . 1 . 2 ]" 1
605 1 86 ARG QB 1 87 PHE H 4.000 . 6.000 2.653 2.069 3.541 . 0 0 "[ . 1 . 2 ]" 1
606 1 86 ARG H 1 86 ARG QG 4.000 . 6.000 2.636 2.275 3.125 . 0 0 "[ . 1 . 2 ]" 1
607 1 86 ARG QG 1 87 PHE H 4.000 . 6.000 4.207 3.976 4.525 . 0 0 "[ . 1 . 2 ]" 1
608 1 87 PHE HA 1 88 ASN H 2.500 . 2.700 2.532 2.314 2.686 . 0 0 "[ . 1 . 2 ]" 1
609 1 87 PHE HA 1 87 PHE QD 4.000 . 6.000 2.960 2.192 3.271 . 0 0 "[ . 1 . 2 ]" 1
610 1 87 PHE QB 1 87 PHE QD 2.500 . 3.700 2.154 2.148 2.194 . 0 0 "[ . 1 . 2 ]" 1
611 1 87 PHE QB 1 87 PHE QE 4.000 . 6.000 3.965 3.958 3.977 . 0 0 "[ . 1 . 2 ]" 1
612 1 87 PHE QB 1 88 ASN H 4.000 . 6.000 3.910 3.756 3.961 . 0 0 "[ . 1 . 2 ]" 1
613 1 87 PHE H 1 88 ASN QB 4.000 . 6.000 4.395 3.980 5.363 . 0 0 "[ . 1 . 2 ]" 1
614 1 88 ASN HA 1 89 GLY H 3.000 . 3.300 2.790 2.134 3.032 . 0 0 "[ . 1 . 2 ]" 1
615 1 88 ASN H 1 88 ASN QB 3.000 . 4.300 3.082 1.887 3.409 . 0 0 "[ . 1 . 2 ]" 1
616 1 88 ASN QB 1 89 GLY H 3.000 . 4.300 1.988 1.779 3.616 0.021 11 0 "[ . 1 . 2 ]" 1
617 1 89 GLY QA 1 90 PRO HD3 3.000 . 4.300 3.042 2.403 3.144 . 0 0 "[ . 1 . 2 ]" 1
618 1 9 GLY H 1 38 ILE QG 4.000 . 6.000 4.142 3.386 4.633 . 0 0 "[ . 1 . 2 ]" 1
619 1 9 GLY QA 1 12 THR H 4.000 . 6.000 4.249 3.989 4.443 . 0 0 "[ . 1 . 2 ]" 1
620 1 9 GLY H 1 11 PHE H 4.000 . 5.000 4.071 3.477 4.858 . 0 0 "[ . 1 . 2 ]" 1
621 1 9 GLY H 1 12 THR H 4.000 . 5.000 3.353 3.144 3.800 . 0 0 "[ . 1 . 2 ]" 1
622 1 9 GLY H 1 13 GLN H 4.000 . 5.000 5.036 4.719 5.196 0.196 12 0 "[ . 1 . 2 ]" 1
623 1 90 PRO HA 1 91 VAL H 3.000 . 3.300 2.442 2.176 2.696 . 0 0 "[ . 1 . 2 ]" 1
624 1 91 VAL H 1 91 VAL HB 3.000 . 3.300 3.162 2.606 3.481 0.181 18 0 "[ . 1 . 2 ]" 1
625 1 91 VAL H 1 91 VAL QG 2.500 . 3.700 1.823 1.727 1.928 0.073 17 0 "[ . 1 . 2 ]" 1
626 1 28 GLN H 1 29 TYR HA 4.000 . 5.000 4.530 4.161 4.825 . 0 0 "[ . 1 . 2 ]" 1
627 1 52 GLU QB 1 53 ILE H 3.000 . 4.300 2.151 1.838 3.910 . 0 0 "[ . 1 . 2 ]" 1
628 1 53 ILE HA 1 55 GLY H 4.000 . 5.000 4.909 4.598 5.114 0.114 9 0 "[ . 1 . 2 ]" 1
629 1 82 ARG H 1 83 LYS H 4.000 . 5.000 4.301 3.059 4.414 . 0 0 "[ . 1 . 2 ]" 1
630 1 88 ASN H 1 89 GLY H 4.000 . 5.000 4.315 4.159 4.524 . 0 0 "[ . 1 . 2 ]" 1
631 1 16 GLY H 1 60 LEU QD 4.000 . 6.000 4.412 4.241 4.512 . 0 0 "[ . 1 . 2 ]" 1
632 1 18 PHE H 1 21 ASP H 4.000 . 5.000 4.916 4.774 5.055 0.055 18 0 "[ . 1 . 2 ]" 1
633 1 19 ALA H 1 21 ASP H 4.000 . 5.000 3.892 3.481 4.041 . 0 0 "[ . 1 . 2 ]" 1
634 1 19 ALA H 1 23 GLU H 4.000 . 5.000 5.024 4.942 5.083 0.083 15 0 "[ . 1 . 2 ]" 1
635 1 21 ASP H 1 24 ASN H 4.000 . 5.000 4.103 3.997 4.203 . 0 0 "[ . 1 . 2 ]" 1
636 1 11 PHE QE 1 43 LYS QB 3.000 . 4.300 2.191 1.770 3.149 0.030 8 0 "[ . 1 . 2 ]" 1
637 1 26 ILE HA 1 26 ILE QG 3.000 . 4.300 2.437 2.240 2.604 . 0 0 "[ . 1 . 2 ]" 1
638 1 90 PRO HA 1 90 PRO QD 3.000 . 4.300 3.309 3.230 3.438 . 0 0 "[ . 1 . 2 ]" 1
639 1 10 PRO HA 1 10 PRO QD 3.000 . 4.300 3.471 3.326 3.519 . 0 0 "[ . 1 . 2 ]" 1
640 1 70 ARG HA 1 70 ARG QG 3.000 . 4.300 2.485 2.245 2.596 . 0 0 "[ . 1 . 2 ]" 1
641 1 91 VAL HA 1 91 VAL QG 3.000 . 4.300 2.244 2.051 2.434 . 0 0 "[ . 1 . 2 ]" 1
642 1 67 LYS HA 1 67 LYS QG 2.500 . 3.700 2.645 2.522 2.964 . 0 0 "[ . 1 . 2 ]" 1
643 1 90 PRO QB 1 90 PRO QD 2.500 . 3.700 2.740 2.667 2.854 . 0 0 "[ . 1 . 2 ]" 1
644 1 10 PRO HA 1 10 PRO QG 3.000 . 4.300 3.516 3.490 3.523 . 0 0 "[ . 1 . 2 ]" 1
645 1 10 PRO QB 1 10 PRO QD 2.500 . 3.700 2.927 2.755 2.997 . 0 0 "[ . 1 . 2 ]" 1
646 1 17 LYS HA 1 17 LYS QG 3.000 . 4.300 2.189 1.920 2.766 . 0 0 "[ . 1 . 2 ]" 1
647 1 53 ILE HA 1 53 ILE QG 3.000 . 4.300 2.236 1.976 2.550 . 0 0 "[ . 1 . 2 ]" 1
648 1 67 LYS HA 1 87 PHE HA 4.000 . 5.000 5.128 5.068 5.211 0.211 2 0 "[ . 1 . 2 ]" 1
649 1 57 GLU QB 1 74 SER H 4.000 . 6.000 4.825 4.045 5.429 . 0 0 "[ . 1 . 2 ]" 1
650 1 73 ILE QG 1 75 GLU QG 4.000 . 6.000 3.530 2.398 4.088 . 0 0 "[ . 1 . 2 ]" 1
651 1 88 ASN QB 1 90 PRO HA 4.000 . 6.000 5.604 5.187 5.661 . 0 0 "[ . 1 . 2 ]" 1
652 1 33 THR HA 1 66 ASP QB 4.000 . 6.000 4.536 3.430 5.366 . 0 0 "[ . 1 . 2 ]" 1
653 1 89 GLY QA 1 90 PRO QD 4.000 . 6.000 2.189 1.894 2.303 . 0 0 "[ . 1 . 2 ]" 1
654 1 9 GLY QA 1 10 PRO QD 3.000 . 4.300 2.173 1.794 2.394 0.006 4 0 "[ . 1 . 2 ]" 1
655 1 68 LEU QB 1 90 PRO QB 3.000 . 4.300 3.372 3.106 3.536 . 0 0 "[ . 1 . 2 ]" 1
656 1 52 GLU QB 1 53 ILE HA 4.000 . 6.000 4.316 3.873 5.065 . 0 0 "[ . 1 . 2 ]" 1
657 1 14 ASN QB 1 60 LEU QD 4.000 . 6.000 3.602 3.303 3.847 . 0 0 "[ . 1 . 2 ]" 1
658 1 10 PRO QD 1 12 THR HG1 3.000 . 4.300 2.907 2.763 3.052 . 0 0 "[ . 1 . 2 ]" 1
659 1 68 LEU HA 1 91 VAL QG 4.000 . 6.000 4.152 3.702 4.475 . 0 0 "[ . 1 . 2 ]" 1
660 1 48 GLU QB 1 49 ASN HA 4.000 . 6.000 4.447 3.912 4.696 . 0 0 "[ . 1 . 2 ]" 1
661 1 85 LEU HA 1 86 ARG QG 3.000 . 4.300 3.012 2.784 3.834 . 0 0 "[ . 1 . 2 ]" 1
662 1 45 THR HG1 1 55 GLY H 3.000 . 4.300 3.299 3.215 3.380 . 0 0 "[ . 1 . 2 ]" 1
663 1 63 TYR H 1 67 LYS QG 4.000 . 6.000 5.382 5.197 5.514 . 0 0 "[ . 1 . 2 ]" 1
664 1 73 ILE QG 1 74 SER H 3.000 . 4.300 3.210 2.757 3.415 . 0 0 "[ . 1 . 2 ]" 1
665 1 48 GLU QG 1 50 GLU H 3.000 . 4.300 2.814 1.947 3.747 . 0 0 "[ . 1 . 2 ]" 1
666 1 54 LYS QG 1 77 TYR H 4.000 . 6.000 5.279 4.569 5.470 . 0 0 "[ . 1 . 2 ]" 1
667 1 31 ARG H 1 33 THR HG1 4.000 . 6.000 4.627 4.214 4.784 . 0 0 "[ . 1 . 2 ]" 1
668 1 53 ILE QG 1 55 GLY H 4.000 . 6.000 4.014 3.464 4.520 . 0 0 "[ . 1 . 2 ]" 1
669 1 63 TYR QD 1 67 LYS QD 4.000 . 6.000 3.692 3.072 4.686 . 0 0 "[ . 1 . 2 ]" 1
670 1 58 TYR QD 1 70 ARG QG 4.000 . 6.000 4.961 3.829 5.314 . 0 0 "[ . 1 . 2 ]" 1
671 1 33 THR HG1 1 87 PHE QD 4.000 . 6.000 3.547 3.173 4.291 . 0 0 "[ . 1 . 2 ]" 1
672 1 63 TYR QD 1 64 ALA MB 4.000 . 6.000 3.873 3.619 4.225 . 0 0 "[ . 1 . 2 ]" 1
673 1 58 TYR QD 1 60 LEU QB 3.000 . 4.300 3.366 2.656 3.599 . 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 89
_Distance_constraint_stats_list.Viol_count 497
_Distance_constraint_stats_list.Viol_total 463.900
_Distance_constraint_stats_list.Viol_max 0.338
_Distance_constraint_stats_list.Viol_rms 0.0295
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0118
_Distance_constraint_stats_list.Viol_average_violations_only 0.0444
_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 GLU 0.110 0.026 5 0 "[ . 1 . 2 ]"
1 4 GLU 0.388 0.052 20 0 "[ . 1 . 2 ]"
1 6 ILE 0.700 0.085 15 0 "[ . 1 . 2 ]"
1 9 GLY 1.998 0.118 21 0 "[ . 1 . 2 ]"
1 10 PRO 0.077 0.033 13 0 "[ . 1 . 2 ]"
1 11 PHE 0.163 0.060 9 0 "[ . 1 . 2 ]"
1 12 THR 0.837 0.064 13 0 "[ . 1 . 2 ]"
1 13 GLN 2.579 0.118 21 0 "[ . 1 . 2 ]"
1 14 ASN 0.077 0.033 13 0 "[ . 1 . 2 ]"
1 15 LEU 0.246 0.060 9 0 "[ . 1 . 2 ]"
1 16 GLY 1.161 0.064 13 0 "[ . 1 . 2 ]"
1 17 LYS 0.619 0.057 8 0 "[ . 1 . 2 ]"
1 18 PHE 0.005 0.005 3 0 "[ . 1 . 2 ]"
1 19 ALA 1.132 0.083 6 0 "[ . 1 . 2 ]"
1 20 VAL 0.566 0.079 5 0 "[ . 1 . 2 ]"
1 21 ASP 0.956 0.065 7 0 "[ . 1 . 2 ]"
1 22 GLU 0.369 0.066 13 0 "[ . 1 . 2 ]"
1 23 GLU 1.049 0.083 6 0 "[ . 1 . 2 ]"
1 24 ASN 0.243 0.079 5 0 "[ . 1 . 2 ]"
1 25 LYS 0.918 0.065 7 0 "[ . 1 . 2 ]"
1 26 ILE 0.365 0.066 13 0 "[ . 1 . 2 ]"
1 36 LYS 1.344 0.338 16 0 "[ . 1 . 2 ]"
1 37 VAL 0.506 0.324 16 0 "[ . 1 . 2 ]"
1 40 PRO 2.972 0.241 4 0 "[ . 1 . 2 ]"
1 41 CYS 0.700 0.085 15 0 "[ . 1 . 2 ]"
1 42 MET 0.164 0.031 17 0 "[ . 1 . 2 ]"
1 43 LYS 0.388 0.052 20 0 "[ . 1 . 2 ]"
1 44 LYS 0.762 0.064 7 0 "[ . 1 . 2 ]"
1 45 THR 0.110 0.026 5 0 "[ . 1 . 2 ]"
1 46 ILE 2.563 0.170 5 0 "[ . 1 . 2 ]"
1 55 GLY 2.563 0.170 5 0 "[ . 1 . 2 ]"
1 56 TYR 0.447 0.050 4 0 "[ . 1 . 2 ]"
1 57 GLU 0.762 0.064 7 0 "[ . 1 . 2 ]"
1 58 TYR 0.397 0.075 3 0 "[ . 1 . 2 ]"
1 59 GLN 0.164 0.031 17 0 "[ . 1 . 2 ]"
1 60 LEU 1.589 0.119 2 0 "[ . 1 . 2 ]"
1 61 TYR 2.972 0.241 4 0 "[ . 1 . 2 ]"
1 62 VAL 1.730 0.126 10 0 "[ . 1 . 2 ]"
1 63 TYR 0.506 0.324 16 0 "[ . 1 . 2 ]"
1 64 ALA 1.422 0.338 16 0 "[ . 1 . 2 ]"
1 67 LYS 0.078 0.048 9 0 "[ . 1 . 2 ]"
1 69 PHE 1.730 0.126 10 0 "[ . 1 . 2 ]"
1 70 ARG 0.290 0.049 5 0 "[ . 1 . 2 ]"
1 71 ALA 1.589 0.119 2 0 "[ . 1 . 2 ]"
1 72 ASP 0.312 0.097 14 0 "[ . 1 . 2 ]"
1 73 ILE 0.397 0.075 3 0 "[ . 1 . 2 ]"
1 74 SER 0.337 0.091 15 0 "[ . 1 . 2 ]"
1 75 GLU 0.447 0.050 4 0 "[ . 1 . 2 ]"
1 76 ASP 0.722 0.146 15 0 "[ . 1 . 2 ]"
1 82 ARG 0.722 0.146 15 0 "[ . 1 . 2 ]"
1 84 LEU 0.337 0.091 15 0 "[ . 1 . 2 ]"
1 86 ARG 0.312 0.097 14 0 "[ . 1 . 2 ]"
1 88 ASN 0.290 0.049 5 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 9 GLY O 1 13 GLN N 3.300 2.500 3.500 3.524 3.459 3.577 0.077 13 0 "[ . 1 . 2 ]" 2
2 1 10 PRO O 1 14 ASN N 3.300 2.500 3.500 2.853 2.467 3.377 0.033 13 0 "[ . 1 . 2 ]" 2
3 1 11 PHE O 1 15 LEU N 3.300 2.500 3.500 2.657 2.440 2.972 0.060 9 0 "[ . 1 . 2 ]" 2
4 1 12 THR O 1 16 GLY N 3.300 2.500 3.500 3.468 3.369 3.537 0.037 7 0 "[ . 1 . 2 ]" 2
5 1 13 GLN O 1 17 LYS N 3.300 2.500 3.500 3.432 3.249 3.508 0.008 4 0 "[ . 1 . 2 ]" 2
6 1 14 ASN O 1 18 PHE N 3.300 2.500 3.500 2.655 2.533 2.805 . 0 0 "[ . 1 . 2 ]" 2
7 1 15 LEU O 1 19 ALA N 3.300 2.500 3.500 2.883 2.486 3.296 0.014 17 0 "[ . 1 . 2 ]" 2
8 1 16 GLY O 1 20 VAL N 3.300 2.500 3.500 3.349 3.020 3.448 . 0 0 "[ . 1 . 2 ]" 2
9 1 17 LYS O 1 21 ASP N 3.300 2.500 3.500 3.056 2.760 3.355 . 0 0 "[ . 1 . 2 ]" 2
10 1 18 PHE O 1 22 GLU N 3.300 2.500 3.500 2.621 2.495 2.940 0.005 3 0 "[ . 1 . 2 ]" 2
11 1 19 ALA O 1 23 GLU N 3.300 2.500 3.500 2.450 2.417 2.497 0.083 6 0 "[ . 1 . 2 ]" 2
12 1 20 VAL O 1 24 ASN N 3.300 2.500 3.500 3.295 3.159 3.353 . 0 0 "[ . 1 . 2 ]" 2
13 1 21 ASP O 1 25 LYS N 3.300 2.500 3.500 2.466 2.435 2.546 0.065 7 0 "[ . 1 . 2 ]" 2
14 1 22 GLU O 1 26 ILE N 3.300 2.500 3.500 2.552 2.434 2.783 0.066 13 0 "[ . 1 . 2 ]" 2
15 1 9 GLY O 1 13 GLN H 2.300 . 2.500 2.565 2.503 2.618 0.118 21 0 "[ . 1 . 2 ]" 2
16 1 10 PRO O 1 14 ASN H 2.300 . 2.500 2.022 1.640 2.524 0.024 6 0 "[ . 1 . 2 ]" 2
17 1 11 PHE O 1 15 LEU H 2.300 . 2.500 1.714 1.481 2.017 0.019 9 0 "[ . 1 . 2 ]" 2
18 1 12 THR O 1 16 GLY H 2.300 . 2.500 2.532 2.419 2.564 0.064 13 0 "[ . 1 . 2 ]" 2
19 1 13 GLN O 1 17 LYS H 2.300 . 2.500 2.527 2.502 2.557 0.057 8 0 "[ . 1 . 2 ]" 2
20 1 14 ASN O 1 18 PHE H 2.300 . 2.500 2.017 1.611 2.267 . 0 0 "[ . 1 . 2 ]" 2
21 1 15 LEU O 1 19 ALA H 2.300 . 2.500 2.137 1.603 2.527 0.027 19 0 "[ . 1 . 2 ]" 2
22 1 16 GLY O 1 20 VAL H 2.300 . 2.500 2.494 2.147 2.555 0.055 11 0 "[ . 1 . 2 ]" 2
23 1 17 LYS O 1 21 ASP H 2.300 . 2.500 2.212 1.831 2.534 0.034 11 0 "[ . 1 . 2 ]" 2
24 1 18 PHE O 1 22 GLU H 2.300 . 2.500 1.826 1.620 2.250 . 0 0 "[ . 1 . 2 ]" 2
25 1 19 ALA O 1 23 GLU H 2.300 . 2.500 1.616 1.543 1.697 . 0 0 "[ . 1 . 2 ]" 2
26 1 20 VAL O 1 24 ASN H 2.300 . 2.500 2.495 2.354 2.579 0.079 5 0 "[ . 1 . 2 ]" 2
27 1 21 ASP O 1 25 LYS H 2.300 . 2.500 1.524 1.481 1.634 0.019 9 0 "[ . 1 . 2 ]" 2
28 1 22 GLU O 1 26 ILE H 2.300 . 2.500 1.668 1.493 1.956 0.007 13 0 "[ . 1 . 2 ]" 2
29 1 2 GLU O 1 45 THR N 3.300 2.500 3.500 3.034 2.475 3.296 0.025 14 0 "[ . 1 . 2 ]" 2
30 1 2 GLU N 1 45 THR O 3.300 2.500 3.500 2.840 2.484 3.021 0.016 14 0 "[ . 1 . 2 ]" 2
31 1 6 ILE N 1 41 CYS O 3.300 2.500 3.500 3.401 3.130 3.523 0.023 15 0 "[ . 1 . 2 ]" 2
32 1 37 VAL O 1 63 TYR N 3.300 2.500 3.500 3.040 2.898 3.460 . 0 0 "[ . 1 . 2 ]" 2
33 1 37 VAL N 1 63 TYR O 3.300 2.500 3.500 2.841 2.678 3.682 0.182 16 0 "[ . 1 . 2 ]" 2
34 1 36 LYS N 1 64 ALA O 3.300 2.500 3.500 3.410 3.093 3.495 . 0 0 "[ . 1 . 2 ]" 2
35 1 64 ALA N 1 67 LYS O 3.300 2.500 3.500 3.294 2.910 3.548 0.048 9 0 "[ . 1 . 2 ]" 2
36 1 40 PRO O 1 61 TYR N 3.300 2.500 3.500 3.197 3.011 3.396 . 0 0 "[ . 1 . 2 ]" 2
37 1 42 MET N 1 59 GLN O 3.300 2.500 3.500 2.682 2.471 2.940 0.029 14 0 "[ . 1 . 2 ]" 2
38 1 42 MET O 1 59 GLN N 3.300 2.500 3.500 3.106 2.775 3.360 . 0 0 "[ . 1 . 2 ]" 2
39 1 4 GLU N 1 43 LYS O 3.300 2.500 3.500 2.607 2.448 2.812 0.052 20 0 "[ . 1 . 2 ]" 2
40 1 4 GLU O 1 43 LYS N 3.300 2.500 3.500 2.672 2.457 3.226 0.043 4 0 "[ . 1 . 2 ]" 2
41 1 44 LYS O 1 57 GLU N 3.300 2.500 3.500 3.185 2.944 3.330 . 0 0 "[ . 1 . 2 ]" 2
42 1 44 LYS N 1 57 GLU O 3.300 2.500 3.500 3.209 2.924 3.429 . 0 0 "[ . 1 . 2 ]" 2
43 1 46 ILE O 1 55 GLY N 3.300 2.500 3.500 3.287 2.540 3.521 0.021 12 0 "[ . 1 . 2 ]" 2
44 1 46 ILE N 1 55 GLY O 3.300 2.500 3.500 3.168 2.646 3.520 0.020 9 0 "[ . 1 . 2 ]" 2
45 1 62 VAL O 1 69 PHE N 3.300 2.500 3.500 3.064 2.874 3.168 . 0 0 "[ . 1 . 2 ]" 2
46 1 62 VAL N 1 69 PHE O 3.300 2.500 3.500 2.432 2.374 2.575 0.126 10 0 "[ . 1 . 2 ]" 2
47 1 70 ARG O 1 88 ASN N 3.300 2.500 3.500 3.155 2.469 3.407 0.031 8 0 "[ . 1 . 2 ]" 2
48 1 70 ARG N 1 88 ASN O 3.300 2.500 3.500 2.950 2.468 3.523 0.032 11 0 "[ . 1 . 2 ]" 2
49 1 60 LEU N 1 71 ALA O 3.300 2.500 3.500 3.344 3.210 3.500 0.000 2 0 "[ . 1 . 2 ]" 2
50 1 60 LEU O 1 71 ALA N 3.300 2.500 3.500 3.084 2.897 3.270 . 0 0 "[ . 1 . 2 ]" 2
51 1 56 TYR O 1 75 GLU N 3.300 2.500 3.500 2.995 2.623 3.337 . 0 0 "[ . 1 . 2 ]" 2
52 1 58 TYR O 1 73 ILE N 3.300 2.500 3.500 3.292 2.852 3.442 . 0 0 "[ . 1 . 2 ]" 2
53 1 58 TYR N 1 73 ILE O 3.300 2.500 3.500 2.837 2.549 3.250 . 0 0 "[ . 1 . 2 ]" 2
54 1 56 TYR N 1 75 GLU O 3.300 2.500 3.500 2.756 2.453 3.334 0.047 8 0 "[ . 1 . 2 ]" 2
55 1 74 SER O 1 84 LEU N 3.300 2.500 3.500 3.183 2.826 3.409 . 0 0 "[ . 1 . 2 ]" 2
56 1 76 ASP N 1 82 ARG O 3.300 2.500 3.500 3.095 2.445 3.386 0.055 12 0 "[ . 1 . 2 ]" 2
57 1 74 SER N 1 84 LEU O 3.300 2.500 3.500 2.825 2.467 3.349 0.033 15 0 "[ . 1 . 2 ]" 2
58 1 72 ASP N 1 86 ARG O 3.300 2.500 3.500 2.926 2.476 3.274 0.024 6 0 "[ . 1 . 2 ]" 2
59 1 72 ASP O 1 86 ARG N 3.300 2.500 3.500 2.975 2.604 3.340 . 0 0 "[ . 1 . 2 ]" 2
60 1 2 GLU O 1 45 THR H 2.300 . 2.500 2.283 1.585 2.526 0.026 5 0 "[ . 1 . 2 ]" 2
61 1 2 GLU H 1 45 THR O 2.300 . 2.500 1.970 1.748 2.178 . 0 0 "[ . 1 . 2 ]" 2
62 1 6 ILE H 1 41 CYS O 2.300 . 2.500 2.518 2.233 2.585 0.085 15 0 "[ . 1 . 2 ]" 2
63 1 37 VAL O 1 63 TYR H 2.300 . 2.500 2.072 1.932 2.494 . 0 0 "[ . 1 . 2 ]" 2
64 1 37 VAL H 1 63 TYR O 2.300 . 2.500 2.121 1.894 2.824 0.324 16 0 "[ . 1 . 2 ]" 2
65 1 36 LYS H 1 64 ALA O 2.300 . 2.500 2.564 2.522 2.838 0.338 16 0 "[ . 1 . 2 ]" 2
66 1 40 PRO O 1 61 TYR H 2.300 . 2.500 2.642 2.588 2.741 0.241 4 0 "[ . 1 . 2 ]" 2
67 1 42 MET H 1 59 GLN O 2.300 . 2.500 1.973 1.555 2.519 0.019 4 0 "[ . 1 . 2 ]" 2
68 1 42 MET O 1 59 GLN H 2.300 . 2.500 2.273 1.887 2.531 0.031 17 0 "[ . 1 . 2 ]" 2
69 1 4 GLU H 1 43 LYS O 2.300 . 2.500 1.856 1.541 2.297 . 0 0 "[ . 1 . 2 ]" 2
70 1 4 GLU O 1 43 LYS H 2.300 . 2.500 1.948 1.515 2.510 0.010 3 0 "[ . 1 . 2 ]" 2
71 1 44 LYS O 1 57 GLU H 2.300 . 2.500 2.489 2.116 2.564 0.064 7 0 "[ . 1 . 2 ]" 2
72 1 44 LYS H 1 57 GLU O 2.300 . 2.500 2.407 2.170 2.564 0.064 14 0 "[ . 1 . 2 ]" 2
73 1 58 TYR O 1 73 ILE H 2.300 . 2.500 2.462 2.186 2.575 0.075 3 0 "[ . 1 . 2 ]" 2
74 1 58 TYR H 1 73 ILE O 2.300 . 2.500 2.096 1.728 2.519 0.019 17 0 "[ . 1 . 2 ]" 2
75 1 46 ILE O 1 55 GLY H 2.300 . 2.500 2.481 1.623 2.670 0.170 5 0 "[ . 1 . 2 ]" 2
76 1 46 ILE H 1 55 GLY O 2.300 . 2.500 2.357 1.712 2.670 0.170 9 0 "[ . 1 . 2 ]" 2
77 1 62 VAL O 1 69 PHE H 2.300 . 2.500 2.433 2.206 2.568 0.068 13 0 "[ . 1 . 2 ]" 2
78 1 62 VAL H 1 69 PHE O 2.300 . 2.500 1.579 1.475 1.692 0.025 15 0 "[ . 1 . 2 ]" 2
79 1 70 ARG O 1 88 ASN H 2.300 . 2.500 2.372 1.609 2.549 0.049 5 0 "[ . 1 . 2 ]" 2
80 1 70 ARG H 1 88 ASN O 2.300 . 2.500 2.041 1.491 2.545 0.045 8 0 "[ . 1 . 2 ]" 2
81 1 60 LEU H 1 71 ALA O 2.300 . 2.500 2.576 2.512 2.619 0.119 2 0 "[ . 1 . 2 ]" 2
82 1 60 LEU O 1 71 ALA H 2.300 . 2.500 2.208 1.982 2.408 . 0 0 "[ . 1 . 2 ]" 2
83 1 56 TYR O 1 75 GLU H 2.300 . 2.500 2.380 1.842 2.550 0.050 4 0 "[ . 1 . 2 ]" 2
84 1 56 TYR H 1 75 GLU O 2.300 . 2.500 1.985 1.522 2.530 0.030 18 0 "[ . 1 . 2 ]" 2
85 1 76 ASP H 1 82 ARG O 2.300 . 2.500 2.328 1.532 2.646 0.146 15 0 "[ . 1 . 2 ]" 2
86 1 74 SER O 1 84 LEU H 2.300 . 2.500 2.369 1.898 2.591 0.091 15 0 "[ . 1 . 2 ]" 2
87 1 74 SER H 1 84 LEU O 2.300 . 2.500 1.956 1.531 2.517 0.017 1 0 "[ . 1 . 2 ]" 2
88 1 72 ASP H 1 86 ARG O 2.300 . 2.500 2.130 1.564 2.528 0.028 3 0 "[ . 1 . 2 ]" 2
89 1 72 ASP O 1 86 ARG H 2.300 . 2.500 2.197 1.774 2.597 0.097 14 0 "[ . 1 . 2 ]" 2
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