NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
442232 |
2kca   |
16068 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kca
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 499
_Distance_constraint_stats_list.Viol_count 699
_Distance_constraint_stats_list.Viol_total 757.154
_Distance_constraint_stats_list.Viol_max 0.389
_Distance_constraint_stats_list.Viol_rms 0.0191
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0542
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PHE 1.664 0.162 3 0 "[ . 1 . 2]"
1 6 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ASP 1.137 0.131 3 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 0.597 0.103 17 0 "[ . 1 . 2]"
1 10 THR 0.491 0.084 10 0 "[ . 1 . 2]"
1 11 PHE 7.912 0.290 12 0 "[ . 1 . 2]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 SER 1.144 0.152 13 0 "[ . 1 . 2]"
1 14 TYR 1.103 0.066 12 0 "[ . 1 . 2]"
1 15 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.006 0.006 16 0 "[ . 1 . 2]"
1 17 GLN 0.006 0.006 16 0 "[ . 1 . 2]"
1 19 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 TYR 0.456 0.066 17 0 "[ . 1 . 2]"
1 27 LYS 0.024 0.022 5 0 "[ . 1 . 2]"
1 28 TRP 2.483 0.117 9 0 "[ . 1 . 2]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 2.271 0.117 18 0 "[ . 1 . 2]"
1 32 PHE 5.546 0.166 12 0 "[ . 1 . 2]"
1 33 THR 1.729 0.135 10 0 "[ . 1 . 2]"
1 34 ALA 3.455 0.226 11 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ALA 2.470 0.224 12 0 "[ . 1 . 2]"
1 37 HIS 1.692 0.131 3 0 "[ . 1 . 2]"
1 38 VAL 4.381 0.306 12 0 "[ . 1 . 2]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PRO 0.027 0.013 9 0 "[ . 1 . 2]"
1 41 ILE 0.445 0.059 1 0 "[ . 1 . 2]"
1 46 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLY 0.214 0.062 14 0 "[ . 1 . 2]"
1 58 TYR 1.451 0.097 19 0 "[ . 1 . 2]"
1 59 ASN 1.869 0.100 19 0 "[ . 1 . 2]"
1 60 ILE 0.450 0.120 6 0 "[ . 1 . 2]"
1 61 TYR 3.082 0.151 20 0 "[ . 1 . 2]"
1 62 THR 5.545 0.290 12 0 "[ . 1 . 2]"
1 63 PRO 0.328 0.078 12 0 "[ . 1 . 2]"
1 64 TYR 1.018 0.100 15 0 "[ . 1 . 2]"
1 65 ASP 1.598 0.180 12 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ARG 0.508 0.068 18 0 "[ . 1 . 2]"
1 68 ILE 2.148 0.306 12 0 "[ . 1 . 2]"
1 69 ASP 0.174 0.105 15 0 "[ . 1 . 2]"
1 70 LYS 0.051 0.022 13 0 "[ . 1 . 2]"
1 71 LYS 0.034 0.022 13 0 "[ . 1 . 2]"
1 72 MET 1.794 0.152 13 0 "[ . 1 . 2]"
1 73 ARG 0.427 0.072 1 0 "[ . 1 . 2]"
1 74 VAL 1.483 0.107 1 0 "[ . 1 . 2]"
1 75 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 TYR 2.681 0.389 6 0 "[ . 1 . 2]"
1 77 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 VAL 0.600 0.165 15 0 "[ . 1 . 2]"
1 82 THR 0.206 0.125 11 0 "[ . 1 . 2]"
1 83 PHE 1.363 0.141 11 0 "[ . 1 . 2]"
1 84 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 PRO 0.605 0.177 20 0 "[ . 1 . 2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ASP 0.537 0.057 1 0 "[ . 1 . 2]"
1 90 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ILE 0.314 0.078 12 0 "[ . 1 . 2]"
1 97 THR 1.544 0.180 12 0 "[ . 1 . 2]"
1 98 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ILE 0.605 0.177 20 0 "[ . 1 . 2]"
1 100 LYS 0.653 0.100 19 0 "[ . 1 . 2]"
1 101 GLY 0.010 0.010 20 0 "[ . 1 . 2]"
1 102 LYS 0.057 0.031 5 0 "[ . 1 . 2]"
1 103 GLU 0.062 0.062 14 0 "[ . 1 . 2]"
1 104 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 VAL 0.012 0.007 11 0 "[ . 1 . 2]"
1 109 GLY 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 TYR H 1 2 TYR HB2 3.300 . 4.800 2.854 2.442 3.489 . 0 0 "[ . 1 . 2]" 1
2 1 2 TYR H 1 2 TYR HB3 3.300 . 4.800 3.499 2.584 3.972 . 0 0 "[ . 1 . 2]" 1
3 1 2 TYR H 1 2 TYR QD 3.300 . 4.800 3.527 2.464 4.562 . 0 0 "[ . 1 . 2]" 1
4 1 2 TYR HA 1 2 TYR QD 3.300 . 4.800 2.570 2.250 3.095 . 0 0 "[ . 1 . 2]" 1
5 1 2 TYR HA 1 2 TYR QE 3.300 . 4.800 4.464 4.314 4.626 . 0 0 "[ . 1 . 2]" 1
6 1 2 TYR HA 1 3 GLU H 3.500 . 5.000 2.755 2.106 3.598 . 0 0 "[ . 1 . 2]" 1
7 1 2 TYR HB2 1 2 TYR QD 3.300 . 4.800 2.412 2.275 2.677 . 0 0 "[ . 1 . 2]" 1
8 1 2 TYR HB3 1 2 TYR QD 3.300 . 4.800 2.448 2.278 2.678 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLU H 1 3 GLU QB 3.300 . 4.800 2.642 2.251 3.309 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLU HA 1 4 GLU H 3.500 . 5.000 2.746 2.234 3.614 . 0 0 "[ . 1 . 2]" 1
11 1 4 GLU H 1 4 GLU QB 3.300 . 4.800 2.805 2.325 3.531 . 0 0 "[ . 1 . 2]" 1
12 1 5 PHE H 1 5 PHE HB2 3.300 . 4.800 3.072 2.399 3.780 . 0 0 "[ . 1 . 2]" 1
13 1 5 PHE H 1 5 PHE HB3 3.300 . 4.800 3.174 2.462 3.903 . 0 0 "[ . 1 . 2]" 1
14 1 5 PHE HA 1 5 PHE QD 3.300 . 4.800 2.805 2.168 3.742 . 0 0 "[ . 1 . 2]" 1
15 1 5 PHE HB2 1 5 PHE QE 3.300 . 4.800 4.417 4.325 4.523 . 0 0 "[ . 1 . 2]" 1
16 1 5 PHE HB3 1 5 PHE QE 3.300 . 4.800 4.397 4.334 4.466 . 0 0 "[ . 1 . 2]" 1
17 1 5 PHE QD 1 36 ALA MB 3.500 . 5.000 4.853 4.236 5.085 0.085 19 0 "[ . 1 . 2]" 1
18 1 5 PHE QD 1 38 VAL H 3.500 . 5.000 4.879 4.082 5.103 0.103 3 0 "[ . 1 . 2]" 1
19 1 5 PHE QE 1 37 HIS H 3.500 . 5.000 4.799 2.012 5.129 0.129 18 0 "[ . 1 . 2]" 1
20 1 5 PHE QE 1 38 VAL H 3.500 . 5.000 4.434 3.506 5.162 0.162 3 0 "[ . 1 . 2]" 1
21 1 6 ARG HA 1 7 ASP H 3.500 . 5.000 2.987 2.213 3.677 . 0 0 "[ . 1 . 2]" 1
22 1 7 ASP H 1 7 ASP QB 3.300 . 4.800 2.653 2.284 3.277 . 0 0 "[ . 1 . 2]" 1
23 1 7 ASP H 1 8 VAL H 3.500 . 5.000 4.473 4.331 4.633 . 0 0 "[ . 1 . 2]" 1
24 1 7 ASP H 1 36 ALA H 3.300 2.500 4.100 3.651 2.462 4.143 0.043 3 0 "[ . 1 . 2]" 1
25 1 7 ASP H 1 37 HIS HA 3.500 . 5.000 4.803 3.633 5.131 0.131 3 0 "[ . 1 . 2]" 1
26 1 7 ASP HA 1 8 VAL H 3.500 . 5.000 2.366 2.069 2.606 . 0 0 "[ . 1 . 2]" 1
27 1 7 ASP QB 1 8 VAL H 3.500 . 5.000 2.949 2.162 3.656 . 0 0 "[ . 1 . 2]" 1
28 1 8 VAL H 1 8 VAL HB 3.300 . 4.800 3.197 2.449 3.737 . 0 0 "[ . 1 . 2]" 1
29 1 8 VAL H 1 8 VAL MG1 3.300 . 4.800 3.139 1.814 3.886 . 0 0 "[ . 1 . 2]" 1
30 1 8 VAL H 1 8 VAL MG2 3.300 . 4.800 2.324 1.840 3.825 . 0 0 "[ . 1 . 2]" 1
31 1 8 VAL HA 1 8 VAL MG1 3.300 . 4.800 2.378 2.188 3.275 . 0 0 "[ . 1 . 2]" 1
32 1 8 VAL HA 1 8 VAL MG2 3.300 . 4.800 2.874 2.317 3.284 . 0 0 "[ . 1 . 2]" 1
33 1 8 VAL HA 1 9 ILE H 3.500 . 5.000 2.160 2.025 2.365 . 0 0 "[ . 1 . 2]" 1
34 1 8 VAL MG1 1 9 ILE H 3.500 . 5.000 3.536 2.776 4.334 . 0 0 "[ . 1 . 2]" 1
35 1 8 VAL MG2 1 9 ILE H 3.500 . 5.000 4.116 2.927 4.413 . 0 0 "[ . 1 . 2]" 1
36 1 9 ILE H 1 9 ILE HB 3.300 . 4.800 2.942 2.165 4.003 . 0 0 "[ . 1 . 2]" 1
37 1 9 ILE H 1 34 ALA H 3.300 2.500 4.100 3.236 2.946 3.624 . 0 0 "[ . 1 . 2]" 1
38 1 9 ILE H 1 36 ALA H 3.300 2.500 4.100 3.958 3.450 4.203 0.103 17 0 "[ . 1 . 2]" 1
39 1 9 ILE HA 1 10 THR H 3.500 . 5.000 2.469 2.250 2.667 . 0 0 "[ . 1 . 2]" 1
40 1 9 ILE HB 1 10 THR H 3.500 . 5.000 3.383 2.235 4.340 . 0 0 "[ . 1 . 2]" 1
41 1 9 ILE MD 1 11 PHE QD 3.500 . 5.000 3.369 2.779 3.768 . 0 0 "[ . 1 . 2]" 1
42 1 9 ILE MD 1 11 PHE QE 3.500 . 5.000 2.490 2.027 3.578 . 0 0 "[ . 1 . 2]" 1
43 1 9 ILE MD 1 11 PHE HZ 3.500 . 5.000 2.518 1.998 4.583 0.002 11 0 "[ . 1 . 2]" 1
44 1 9 ILE MD 1 76 TYR QD 3.500 . 5.000 2.480 1.945 3.944 0.055 14 0 "[ . 1 . 2]" 1
45 1 10 THR H 1 10 THR HB 3.300 . 4.800 2.768 2.563 3.509 . 0 0 "[ . 1 . 2]" 1
46 1 10 THR H 1 10 THR HG1 3.300 . 4.800 3.008 2.313 3.617 . 0 0 "[ . 1 . 2]" 1
47 1 10 THR H 1 75 ILE H 3.300 2.500 4.100 3.500 3.172 3.926 . 0 0 "[ . 1 . 2]" 1
48 1 10 THR HA 1 10 THR HG1 3.300 . 4.800 2.180 2.053 2.399 . 0 0 "[ . 1 . 2]" 1
49 1 10 THR HA 1 11 PHE H 3.500 . 5.000 2.172 2.014 2.339 . 0 0 "[ . 1 . 2]" 1
50 1 10 THR HA 1 33 THR HA 2.300 . 2.800 2.679 2.208 2.884 0.084 10 0 "[ . 1 . 2]" 1
51 1 10 THR HA 1 34 ALA H 3.500 . 5.000 3.849 3.572 4.107 . 0 0 "[ . 1 . 2]" 1
52 1 10 THR HG1 1 11 PHE H 3.500 . 5.000 2.990 2.613 3.435 . 0 0 "[ . 1 . 2]" 1
53 1 10 THR MG 1 32 PHE H 3.500 . 5.000 4.584 3.940 5.055 0.055 10 0 "[ . 1 . 2]" 1
54 1 10 THR MG 1 33 THR HA 3.500 . 5.000 3.857 3.560 4.138 . 0 0 "[ . 1 . 2]" 1
55 1 11 PHE H 1 11 PHE HB2 3.300 . 4.800 2.421 2.097 2.557 . 0 0 "[ . 1 . 2]" 1
56 1 11 PHE H 1 11 PHE HB3 3.300 . 4.800 3.669 3.497 3.755 . 0 0 "[ . 1 . 2]" 1
57 1 11 PHE H 1 11 PHE QD 3.300 . 4.800 2.531 1.859 3.185 . 0 0 "[ . 1 . 2]" 1
58 1 11 PHE H 1 11 PHE QE 3.300 . 4.800 4.508 3.979 4.927 0.127 12 0 "[ . 1 . 2]" 1
59 1 11 PHE H 1 32 PHE H 3.300 2.500 4.100 3.506 3.331 3.700 . 0 0 "[ . 1 . 2]" 1
60 1 11 PHE H 1 33 THR HA 3.500 . 5.000 2.884 2.550 3.228 . 0 0 "[ . 1 . 2]" 1
61 1 11 PHE H 1 34 ALA H 3.300 2.500 4.100 4.272 4.217 4.326 0.226 11 0 "[ . 1 . 2]" 1
62 1 11 PHE HA 1 11 PHE QD 3.300 . 4.800 2.885 2.063 3.421 . 0 0 "[ . 1 . 2]" 1
63 1 11 PHE HA 1 11 PHE QE 3.300 . 4.800 4.586 4.348 4.900 0.100 15 0 "[ . 1 . 2]" 1
64 1 11 PHE HA 1 12 GLN H 3.500 . 5.000 2.266 2.169 2.413 . 0 0 "[ . 1 . 2]" 1
65 1 11 PHE HA 1 74 VAL HA 2.300 . 2.800 2.684 2.317 2.885 0.085 13 0 "[ . 1 . 2]" 1
66 1 11 PHE HA 1 74 VAL MG1 3.500 . 5.000 3.747 2.116 5.063 0.063 18 0 "[ . 1 . 2]" 1
67 1 11 PHE HA 1 74 VAL MG2 3.500 . 5.000 3.378 2.100 4.825 . 0 0 "[ . 1 . 2]" 1
68 1 11 PHE HA 1 75 ILE H 3.500 . 5.000 3.613 3.109 3.992 . 0 0 "[ . 1 . 2]" 1
69 1 11 PHE HB2 1 32 PHE H 3.500 . 5.000 2.786 2.434 3.413 . 0 0 "[ . 1 . 2]" 1
70 1 11 PHE HB3 1 11 PHE QE 3.300 . 4.800 4.388 4.324 4.472 . 0 0 "[ . 1 . 2]" 1
71 1 11 PHE HB3 1 32 PHE H 3.500 . 5.000 4.010 3.527 4.551 . 0 0 "[ . 1 . 2]" 1
72 1 11 PHE QD 1 12 GLN H 3.500 . 5.000 4.197 3.224 4.963 . 0 0 "[ . 1 . 2]" 1
73 1 11 PHE QD 1 33 THR HA 3.500 . 5.000 2.998 2.265 4.954 . 0 0 "[ . 1 . 2]" 1
74 1 11 PHE QD 1 36 ALA MB 3.500 . 5.000 4.658 3.973 5.012 0.012 17 0 "[ . 1 . 2]" 1
75 1 11 PHE QD 1 62 THR MG 3.500 . 5.000 5.095 4.482 5.290 0.290 12 0 "[ . 1 . 2]" 1
76 1 11 PHE QD 1 74 VAL MG1 3.500 . 5.000 3.244 1.958 4.365 0.042 1 0 "[ . 1 . 2]" 1
77 1 11 PHE QD 1 74 VAL QG 3.500 . 5.000 2.489 1.946 3.120 0.054 1 0 "[ . 1 . 2]" 1
78 1 11 PHE QD 1 74 VAL MG2 3.500 . 5.000 3.071 2.040 4.074 . 0 0 "[ . 1 . 2]" 1
79 1 11 PHE QE 1 36 ALA MB 3.500 . 5.000 2.906 2.113 3.715 . 0 0 "[ . 1 . 2]" 1
80 1 11 PHE QE 1 62 THR MG 3.500 . 5.000 4.040 3.454 4.293 . 0 0 "[ . 1 . 2]" 1
81 1 11 PHE QE 1 68 ILE MD 3.500 . 5.000 2.436 1.955 4.293 0.045 11 0 "[ . 1 . 2]" 1
82 1 11 PHE QE 1 74 VAL QG 3.500 . 5.000 2.518 2.038 3.158 . 0 0 "[ . 1 . 2]" 1
83 1 11 PHE QE 1 74 VAL MG2 3.500 . 5.000 2.865 2.147 3.823 . 0 0 "[ . 1 . 2]" 1
84 1 11 PHE HZ 1 36 ALA MB 3.500 . 5.000 2.760 1.977 5.070 0.070 12 0 "[ . 1 . 2]" 1
85 1 11 PHE HZ 1 62 THR MG 3.500 . 5.000 4.357 3.706 5.071 0.071 12 0 "[ . 1 . 2]" 1
86 1 11 PHE HZ 1 68 ILE MD 3.500 . 5.000 2.915 2.087 4.303 . 0 0 "[ . 1 . 2]" 1
87 1 11 PHE HZ 1 74 VAL MG1 3.500 . 5.000 4.668 3.762 5.107 0.107 1 0 "[ . 1 . 2]" 1
88 1 11 PHE HZ 1 74 VAL QG 3.500 . 5.000 3.656 2.947 4.495 . 0 0 "[ . 1 . 2]" 1
89 1 11 PHE HZ 1 74 VAL MG2 3.500 . 5.000 4.117 3.061 5.056 0.056 9 0 "[ . 1 . 2]" 1
90 1 12 GLN H 1 73 ARG H 3.300 2.500 4.100 3.461 3.236 3.955 . 0 0 "[ . 1 . 2]" 1
91 1 12 GLN HA 1 13 SER H 3.500 . 5.000 2.402 2.244 2.530 . 0 0 "[ . 1 . 2]" 1
92 1 12 GLN HA 1 30 ASP HA 2.300 . 2.800 2.375 2.085 2.744 . 0 0 "[ . 1 . 2]" 1
93 1 12 GLN HA 1 31 GLU H 3.500 . 5.000 2.296 2.115 2.531 . 0 0 "[ . 1 . 2]" 1
94 1 13 SER H 1 13 SER QB 3.300 . 4.800 2.821 2.487 3.212 . 0 0 "[ . 1 . 2]" 1
95 1 13 SER H 1 28 TRP HE3 3.500 . 5.000 3.804 3.500 4.472 . 0 0 "[ . 1 . 2]" 1
96 1 13 SER H 1 29 VAL H 3.300 2.500 4.100 3.302 2.860 3.614 . 0 0 "[ . 1 . 2]" 1
97 1 13 SER H 1 30 ASP HA 3.500 . 5.000 3.642 3.254 4.281 . 0 0 "[ . 1 . 2]" 1
98 1 13 SER HA 1 14 TYR H 3.500 . 5.000 2.375 2.196 2.519 . 0 0 "[ . 1 . 2]" 1
99 1 13 SER HA 1 72 MET HA 2.300 . 2.800 2.752 2.059 2.952 0.152 13 0 "[ . 1 . 2]" 1
100 1 13 SER QB 1 14 TYR H 3.500 . 5.000 2.960 2.241 3.705 . 0 0 "[ . 1 . 2]" 1
101 1 14 TYR H 1 14 TYR HB2 3.300 . 4.800 2.780 2.443 3.155 . 0 0 "[ . 1 . 2]" 1
102 1 14 TYR H 1 14 TYR HB3 3.300 . 4.800 2.555 2.419 2.713 . 0 0 "[ . 1 . 2]" 1
103 1 14 TYR H 1 14 TYR QD 3.300 . 4.800 4.268 4.147 4.367 . 0 0 "[ . 1 . 2]" 1
104 1 14 TYR H 1 28 TRP HE3 3.500 . 5.000 4.827 4.250 5.027 0.027 1 0 "[ . 1 . 2]" 1
105 1 14 TYR HA 1 14 TYR QD 3.300 . 4.800 2.182 2.074 2.346 . 0 0 "[ . 1 . 2]" 1
106 1 14 TYR HA 1 14 TYR QE 3.300 . 4.800 4.445 4.382 4.534 . 0 0 "[ . 1 . 2]" 1
107 1 14 TYR HA 1 28 TRP HA 2.300 . 2.800 2.818 2.717 2.866 0.066 12 0 "[ . 1 . 2]" 1
108 1 14 TYR HA 1 29 VAL H 3.500 . 5.000 3.901 3.583 4.178 . 0 0 "[ . 1 . 2]" 1
109 1 14 TYR HB2 1 14 TYR QD 3.300 . 4.800 2.721 2.658 2.770 . 0 0 "[ . 1 . 2]" 1
110 1 14 TYR HB2 1 28 TRP HZ2 3.500 . 5.000 3.599 3.384 3.934 . 0 0 "[ . 1 . 2]" 1
111 1 14 TYR HB3 1 14 TYR QD 3.300 . 4.800 2.283 2.242 2.394 . 0 0 "[ . 1 . 2]" 1
112 1 14 TYR HB3 1 14 TYR QE 3.300 . 4.800 4.382 4.365 4.424 . 0 0 "[ . 1 . 2]" 1
113 1 14 TYR HB3 1 28 TRP HZ2 3.500 . 5.000 4.922 4.680 5.033 0.033 13 0 "[ . 1 . 2]" 1
114 1 14 TYR QD 1 26 TYR HB2 3.500 . 5.000 4.205 3.440 5.040 0.040 16 0 "[ . 1 . 2]" 1
115 1 14 TYR QD 1 26 TYR HB3 3.500 . 5.000 4.080 3.075 5.032 0.032 20 0 "[ . 1 . 2]" 1
116 1 14 TYR QD 1 26 TYR QD 3.500 . 5.000 4.420 3.590 5.028 0.028 3 0 "[ . 1 . 2]" 1
117 1 14 TYR QD 1 27 LYS HA 3.500 . 5.000 4.446 3.301 5.022 0.022 5 0 "[ . 1 . 2]" 1
118 1 14 TYR QD 1 28 TRP HA 3.500 . 5.000 3.077 2.648 3.515 . 0 0 "[ . 1 . 2]" 1
119 1 14 TYR QD 1 28 TRP HD1 3.500 . 5.000 4.000 3.806 4.575 . 0 0 "[ . 1 . 2]" 1
120 1 14 TYR QD 1 28 TRP HE1 3.500 . 5.000 3.875 3.426 4.479 . 0 0 "[ . 1 . 2]" 1
121 1 14 TYR QD 1 28 TRP HZ2 3.500 . 5.000 3.968 3.668 4.306 . 0 0 "[ . 1 . 2]" 1
122 1 14 TYR QE 1 26 TYR HB2 3.500 . 5.000 2.789 2.248 3.156 . 0 0 "[ . 1 . 2]" 1
123 1 14 TYR QE 1 26 TYR HB3 3.500 . 5.000 3.249 2.416 3.955 . 0 0 "[ . 1 . 2]" 1
124 1 14 TYR QE 1 26 TYR QD 3.500 . 5.000 3.386 2.296 4.203 . 0 0 "[ . 1 . 2]" 1
125 1 14 TYR QE 1 27 LYS HA 3.500 . 5.000 4.083 2.789 4.940 . 0 0 "[ . 1 . 2]" 1
126 1 14 TYR QE 1 28 TRP H 3.500 . 5.000 4.624 3.932 5.017 0.017 20 0 "[ . 1 . 2]" 1
127 1 14 TYR QE 1 28 TRP HD1 3.500 . 5.000 3.381 3.047 4.045 . 0 0 "[ . 1 . 2]" 1
128 1 14 TYR QE 1 28 TRP HE1 3.500 . 5.000 3.304 2.914 3.758 . 0 0 "[ . 1 . 2]" 1
129 1 14 TYR QE 1 28 TRP HZ2 3.500 . 5.000 4.389 3.691 4.977 . 0 0 "[ . 1 . 2]" 1
130 1 15 VAL H 1 15 VAL HB 3.300 . 4.800 3.030 2.387 3.839 . 0 0 "[ . 1 . 2]" 1
131 1 15 VAL H 1 15 VAL MG1 3.300 . 4.800 3.314 2.195 3.986 . 0 0 "[ . 1 . 2]" 1
132 1 15 VAL H 1 15 VAL QG 3.300 . 4.800 2.376 2.129 2.965 . 0 0 "[ . 1 . 2]" 1
133 1 15 VAL H 1 15 VAL MG2 3.300 . 4.800 2.837 2.181 4.015 . 0 0 "[ . 1 . 2]" 1
134 1 15 VAL H 1 16 GLU H 3.500 . 5.000 4.414 4.191 4.542 . 0 0 "[ . 1 . 2]" 1
135 1 15 VAL HA 1 15 VAL MG1 3.300 . 4.800 2.563 2.223 3.294 . 0 0 "[ . 1 . 2]" 1
136 1 15 VAL HA 1 15 VAL MG2 3.300 . 4.800 2.614 2.212 3.276 . 0 0 "[ . 1 . 2]" 1
137 1 15 VAL HA 1 16 GLU H 3.500 . 5.000 2.231 2.119 2.381 . 0 0 "[ . 1 . 2]" 1
138 1 15 VAL HB 1 16 GLU H 3.500 . 5.000 3.832 2.651 4.331 . 0 0 "[ . 1 . 2]" 1
139 1 15 VAL QG 1 16 GLU H 3.500 . 5.000 2.730 2.201 3.377 . 0 0 "[ . 1 . 2]" 1
140 1 16 GLU H 1 16 GLU QB 3.300 . 4.800 2.843 2.226 3.284 . 0 0 "[ . 1 . 2]" 1
141 1 16 GLU H 1 17 GLN H 3.500 . 5.000 3.654 1.994 4.580 0.006 16 0 "[ . 1 . 2]" 1
142 1 19 ASN H 1 19 ASN QB 3.300 . 4.800 2.848 2.111 3.589 . 0 0 "[ . 1 . 2]" 1
143 1 25 THR H 1 25 THR HB 3.300 . 4.800 3.376 2.545 4.024 . 0 0 "[ . 1 . 2]" 1
144 1 25 THR H 1 25 THR HG1 3.300 . 4.800 2.724 2.151 3.321 . 0 0 "[ . 1 . 2]" 1
145 1 25 THR H 1 25 THR MG 3.300 . 4.800 3.096 2.387 4.047 . 0 0 "[ . 1 . 2]" 1
146 1 25 THR HA 1 25 THR HG1 3.300 . 4.800 2.562 2.090 3.032 . 0 0 "[ . 1 . 2]" 1
147 1 25 THR HA 1 26 TYR H 3.500 . 5.000 2.402 2.100 2.808 . 0 0 "[ . 1 . 2]" 1
148 1 25 THR MG 1 26 TYR H 3.500 . 5.000 3.372 2.293 4.371 . 0 0 "[ . 1 . 2]" 1
149 1 26 TYR H 1 26 TYR HB2 3.300 . 4.800 3.067 2.461 3.842 . 0 0 "[ . 1 . 2]" 1
150 1 26 TYR H 1 26 TYR HB3 3.300 . 4.800 3.686 3.431 3.960 . 0 0 "[ . 1 . 2]" 1
151 1 26 TYR H 1 26 TYR QD 3.300 . 4.800 2.901 2.412 3.559 . 0 0 "[ . 1 . 2]" 1
152 1 26 TYR H 1 26 TYR QE 3.300 . 4.800 4.480 3.810 4.866 0.066 17 0 "[ . 1 . 2]" 1
153 1 26 TYR HB2 1 26 TYR QD 3.300 . 4.800 2.497 2.236 2.716 . 0 0 "[ . 1 . 2]" 1
154 1 26 TYR HB3 1 26 TYR QD 3.300 . 4.800 2.344 2.202 2.775 . 0 0 "[ . 1 . 2]" 1
155 1 26 TYR HB3 1 26 TYR QE 3.300 . 4.800 4.403 4.343 4.570 . 0 0 "[ . 1 . 2]" 1
156 1 26 TYR QD 1 27 LYS H 3.500 . 5.000 4.233 3.958 4.596 . 0 0 "[ . 1 . 2]" 1
157 1 27 LYS HA 1 28 TRP H 3.500 . 5.000 2.279 2.156 2.437 . 0 0 "[ . 1 . 2]" 1
158 1 27 LYS HB2 1 28 TRP H 3.500 . 5.000 3.974 2.550 4.451 . 0 0 "[ . 1 . 2]" 1
159 1 27 LYS HB3 1 28 TRP H 3.500 . 5.000 3.769 2.538 4.321 . 0 0 "[ . 1 . 2]" 1
160 1 27 LYS QG 1 28 TRP H 3.500 . 5.000 3.244 2.200 4.675 . 0 0 "[ . 1 . 2]" 1
161 1 28 TRP H 1 28 TRP HB2 3.300 . 4.800 2.240 2.126 2.347 . 0 0 "[ . 1 . 2]" 1
162 1 28 TRP H 1 28 TRP HB3 3.300 . 4.800 3.478 3.385 3.531 . 0 0 "[ . 1 . 2]" 1
163 1 28 TRP H 1 28 TRP HD1 3.300 . 4.800 3.660 2.821 4.290 . 0 0 "[ . 1 . 2]" 1
164 1 28 TRP H 1 28 TRP HE3 3.300 . 4.800 4.884 4.835 4.917 0.117 9 0 "[ . 1 . 2]" 1
165 1 28 TRP HA 1 28 TRP HD1 3.300 . 4.800 4.452 4.352 4.534 . 0 0 "[ . 1 . 2]" 1
166 1 28 TRP HA 1 29 VAL H 3.500 . 5.000 2.202 2.096 2.288 . 0 0 "[ . 1 . 2]" 1
167 1 28 TRP HB2 1 28 TRP HD1 3.300 . 4.800 2.829 2.756 2.880 . 0 0 "[ . 1 . 2]" 1
168 1 28 TRP HB3 1 28 TRP HD1 3.300 . 4.800 3.829 3.732 3.900 . 0 0 "[ . 1 . 2]" 1
169 1 28 TRP HE3 1 29 VAL H 3.500 . 5.000 2.962 2.280 3.701 . 0 0 "[ . 1 . 2]" 1
170 1 29 VAL H 1 29 VAL HB 3.300 . 4.800 3.415 2.530 4.023 . 0 0 "[ . 1 . 2]" 1
171 1 29 VAL H 1 29 VAL MG1 3.300 . 4.800 3.140 2.229 3.918 . 0 0 "[ . 1 . 2]" 1
172 1 29 VAL H 1 29 VAL QG 3.300 . 4.800 2.406 2.217 2.806 . 0 0 "[ . 1 . 2]" 1
173 1 29 VAL H 1 29 VAL MG2 3.300 . 4.800 2.936 2.276 4.056 . 0 0 "[ . 1 . 2]" 1
174 1 29 VAL HA 1 29 VAL MG1 3.300 . 4.800 2.615 2.224 3.301 . 0 0 "[ . 1 . 2]" 1
175 1 29 VAL HA 1 29 VAL MG2 3.300 . 4.800 2.814 2.233 3.292 . 0 0 "[ . 1 . 2]" 1
176 1 29 VAL HB 1 30 ASP H 3.500 . 5.000 3.264 2.313 4.171 . 0 0 "[ . 1 . 2]" 1
177 1 30 ASP H 1 31 GLU H 3.500 . 5.000 4.589 4.331 4.670 . 0 0 "[ . 1 . 2]" 1
178 1 30 ASP HA 1 31 GLU H 3.500 . 5.000 2.283 2.068 2.399 . 0 0 "[ . 1 . 2]" 1
179 1 31 GLU H 1 32 PHE H 3.500 . 5.000 2.428 2.060 2.695 . 0 0 "[ . 1 . 2]" 1
180 1 31 GLU HA 1 32 PHE H 3.500 . 5.000 3.625 3.584 3.661 . 0 0 "[ . 1 . 2]" 1
181 1 31 GLU QB 1 32 PHE H 3.500 . 5.000 2.319 2.137 2.486 . 0 0 "[ . 1 . 2]" 1
182 1 31 GLU QB 1 32 PHE QD 3.500 . 5.000 2.307 1.977 2.926 0.023 18 0 "[ . 1 . 2]" 1
183 1 31 GLU QB 1 32 PHE QE 3.500 . 5.000 3.051 2.587 3.600 . 0 0 "[ . 1 . 2]" 1
184 1 31 GLU QB 1 32 PHE HZ 3.500 . 5.000 4.980 4.356 5.114 0.114 8 0 "[ . 1 . 2]" 1
185 1 31 GLU QG 1 32 PHE H 3.500 . 5.000 3.765 3.619 3.914 . 0 0 "[ . 1 . 2]" 1
186 1 31 GLU QG 1 32 PHE QD 3.500 . 5.000 2.306 1.988 3.833 0.012 11 0 "[ . 1 . 2]" 1
187 1 31 GLU QG 1 32 PHE HZ 3.500 . 5.000 5.045 5.004 5.117 0.117 18 0 "[ . 1 . 2]" 1
188 1 32 PHE H 1 32 PHE QD 3.300 . 4.800 3.014 2.804 3.395 . 0 0 "[ . 1 . 2]" 1
189 1 32 PHE H 1 32 PHE QE 3.300 . 4.800 4.343 4.170 4.622 . 0 0 "[ . 1 . 2]" 1
190 1 32 PHE HA 1 32 PHE QD 3.300 . 4.800 3.760 3.734 3.822 . 0 0 "[ . 1 . 2]" 1
191 1 32 PHE HA 1 33 THR H 3.500 . 5.000 2.607 2.487 2.689 . 0 0 "[ . 1 . 2]" 1
192 1 32 PHE QD 1 33 THR H 3.500 . 5.000 3.130 2.946 3.269 . 0 0 "[ . 1 . 2]" 1
193 1 32 PHE QE 1 33 THR H 3.500 . 5.000 5.069 5.017 5.135 0.135 10 0 "[ . 1 . 2]" 1
194 1 32 PHE QE 1 34 ALA H 3.500 . 5.000 4.258 3.529 5.008 0.008 10 0 "[ . 1 . 2]" 1
195 1 32 PHE QE 1 67 ARG HB2 3.500 . 5.000 2.671 1.977 4.428 0.023 16 0 "[ . 1 . 2]" 1
196 1 32 PHE QE 1 67 ARG HB3 3.500 . 5.000 2.651 2.089 4.081 . 0 0 "[ . 1 . 2]" 1
197 1 32 PHE QE 1 67 ARG QG 3.500 . 5.000 3.633 2.570 4.396 . 0 0 "[ . 1 . 2]" 1
198 1 32 PHE QE 1 68 ILE HA 3.500 . 5.000 3.844 3.149 5.096 0.096 12 0 "[ . 1 . 2]" 1
199 1 32 PHE QE 1 68 ILE MD 3.500 . 5.000 3.340 2.705 4.590 . 0 0 "[ . 1 . 2]" 1
200 1 32 PHE HZ 1 38 VAL QG 3.500 . 5.000 4.913 4.471 5.166 0.166 12 0 "[ . 1 . 2]" 1
201 1 32 PHE HZ 1 67 ARG QG 3.500 . 5.000 4.758 2.017 5.068 0.068 18 0 "[ . 1 . 2]" 1
202 1 32 PHE HZ 1 68 ILE HA 3.500 . 5.000 3.188 2.669 4.370 . 0 0 "[ . 1 . 2]" 1
203 1 32 PHE HZ 1 68 ILE MD 3.500 . 5.000 2.518 1.970 4.601 0.030 3 0 "[ . 1 . 2]" 1
204 1 32 PHE HZ 1 68 ILE QG 3.500 . 5.000 2.639 1.992 5.045 0.045 12 0 "[ . 1 . 2]" 1
205 1 33 THR H 1 33 THR HB 3.300 . 4.800 3.422 2.697 3.835 . 0 0 "[ . 1 . 2]" 1
206 1 33 THR H 1 33 THR HG1 3.300 . 4.800 2.597 2.310 3.571 . 0 0 "[ . 1 . 2]" 1
207 1 33 THR HA 1 33 THR HG1 3.300 . 4.800 2.355 2.180 3.073 . 0 0 "[ . 1 . 2]" 1
208 1 33 THR HA 1 33 THR MG 3.300 . 4.800 2.851 2.203 3.293 . 0 0 "[ . 1 . 2]" 1
209 1 33 THR HA 1 34 ALA H 3.500 . 5.000 2.159 2.062 2.252 . 0 0 "[ . 1 . 2]" 1
210 1 33 THR HB 1 34 ALA H 3.500 . 5.000 3.942 3.179 4.496 . 0 0 "[ . 1 . 2]" 1
211 1 34 ALA H 1 34 ALA MB 3.300 . 4.800 2.838 2.741 2.937 . 0 0 "[ . 1 . 2]" 1
212 1 34 ALA H 1 35 ALA H 3.500 . 5.000 4.559 4.483 4.644 . 0 0 "[ . 1 . 2]" 1
213 1 34 ALA HA 1 35 ALA H 3.500 . 5.000 2.347 2.213 2.484 . 0 0 "[ . 1 . 2]" 1
214 1 35 ALA H 1 35 ALA MB 3.300 . 4.800 2.278 2.179 2.362 . 0 0 "[ . 1 . 2]" 1
215 1 35 ALA HA 1 36 ALA H 3.500 . 5.000 2.179 2.103 2.238 . 0 0 "[ . 1 . 2]" 1
216 1 35 ALA MB 1 36 ALA H 3.500 . 5.000 3.352 2.947 3.455 . 0 0 "[ . 1 . 2]" 1
217 1 36 ALA H 1 36 ALA MB 3.300 . 4.800 2.738 2.571 2.908 . 0 0 "[ . 1 . 2]" 1
218 1 36 ALA HA 1 37 HIS H 3.500 . 5.000 2.432 2.246 2.602 . 0 0 "[ . 1 . 2]" 1
219 1 36 ALA HA 1 62 THR HA 2.300 . 2.800 2.840 2.580 3.024 0.224 12 0 "[ . 1 . 2]" 1
220 1 36 ALA HA 1 62 THR HG1 3.500 . 5.000 4.289 3.017 5.049 0.049 16 0 "[ . 1 . 2]" 1
221 1 36 ALA MB 1 37 HIS H 3.500 . 5.000 2.480 2.239 3.099 . 0 0 "[ . 1 . 2]" 1
222 1 36 ALA MB 1 62 THR HA 3.500 . 5.000 2.816 2.070 3.866 . 0 0 "[ . 1 . 2]" 1
223 1 36 ALA MB 1 62 THR HB 3.500 . 5.000 3.019 1.977 4.463 0.023 15 0 "[ . 1 . 2]" 1
224 1 36 ALA MB 1 62 THR HG1 3.500 . 5.000 2.864 1.989 4.239 0.011 5 0 "[ . 1 . 2]" 1
225 1 37 HIS H 1 37 HIS HB2 3.300 . 4.800 3.003 2.544 3.411 . 0 0 "[ . 1 . 2]" 1
226 1 37 HIS H 1 37 HIS HB3 3.300 . 4.800 2.815 2.141 3.751 . 0 0 "[ . 1 . 2]" 1
227 1 37 HIS H 1 61 TYR H 3.300 2.500 4.100 3.430 3.102 3.804 . 0 0 "[ . 1 . 2]" 1
228 1 37 HIS H 1 61 TYR QD 3.500 . 5.000 4.226 2.732 4.876 . 0 0 "[ . 1 . 2]" 1
229 1 37 HIS H 1 61 TYR QE 3.500 . 5.000 4.274 3.193 5.049 0.049 16 0 "[ . 1 . 2]" 1
230 1 37 HIS H 1 62 THR HA 3.500 . 5.000 3.584 3.169 4.073 . 0 0 "[ . 1 . 2]" 1
231 1 37 HIS HA 1 38 VAL H 3.500 . 5.000 2.222 1.963 2.422 0.037 3 0 "[ . 1 . 2]" 1
232 1 38 VAL H 1 38 VAL HB 3.300 . 4.800 2.616 2.327 3.323 . 0 0 "[ . 1 . 2]" 1
233 1 38 VAL H 1 38 VAL QG 3.300 . 4.800 2.713 1.881 3.287 . 0 0 "[ . 1 . 2]" 1
234 1 38 VAL HA 1 39 GLN H 3.500 . 5.000 2.360 2.202 2.521 . 0 0 "[ . 1 . 2]" 1
235 1 38 VAL HA 1 61 TYR H 3.500 . 5.000 4.024 3.768 4.666 . 0 0 "[ . 1 . 2]" 1
236 1 38 VAL HB 1 76 TYR QE 3.500 . 5.000 3.953 2.898 5.028 0.028 20 0 "[ . 1 . 2]" 1
237 1 38 VAL QG 1 39 GLN H 3.500 . 5.000 3.448 2.838 3.960 . 0 0 "[ . 1 . 2]" 1
238 1 38 VAL QG 1 58 TYR HB2 3.500 . 5.000 4.136 3.178 5.090 0.090 7 0 "[ . 1 . 2]" 1
239 1 38 VAL QG 1 58 TYR HB3 3.500 . 5.000 3.299 2.103 4.292 . 0 0 "[ . 1 . 2]" 1
240 1 38 VAL QG 1 58 TYR QD 3.500 . 5.000 2.541 1.939 3.949 0.061 3 0 "[ . 1 . 2]" 1
241 1 38 VAL QG 1 58 TYR QE 3.500 . 5.000 2.932 1.984 4.907 0.016 7 0 "[ . 1 . 2]" 1
242 1 38 VAL QG 1 60 ILE HA 3.500 . 5.000 3.989 3.355 4.378 . 0 0 "[ . 1 . 2]" 1
243 1 38 VAL QG 1 68 ILE H 3.500 . 5.000 5.055 4.796 5.306 0.306 12 0 "[ . 1 . 2]" 1
244 1 38 VAL QG 1 69 ASP H 3.500 . 5.000 4.918 4.774 5.105 0.105 15 0 "[ . 1 . 2]" 1
245 1 38 VAL QG 1 76 TYR H 3.500 . 5.000 4.600 3.982 5.084 0.084 17 0 "[ . 1 . 2]" 1
246 1 38 VAL QG 1 76 TYR QD 3.500 . 5.000 2.911 1.954 3.813 0.046 20 0 "[ . 1 . 2]" 1
247 1 38 VAL QG 1 76 TYR QE 3.500 . 5.000 3.270 1.969 4.459 0.031 10 0 "[ . 1 . 2]" 1
248 1 39 GLN H 1 39 GLN QB 3.300 . 4.800 2.630 2.077 3.239 . 0 0 "[ . 1 . 2]" 1
249 1 40 PRO HA 1 41 ILE H 3.500 . 5.000 2.295 1.999 2.503 0.001 17 0 "[ . 1 . 2]" 1
250 1 40 PRO HA 1 58 TYR HA 2.300 . 2.800 2.387 1.953 2.813 0.013 9 0 "[ . 1 . 2]" 1
251 1 40 PRO HA 1 58 TYR QE 3.500 . 5.000 3.438 2.468 3.963 . 0 0 "[ . 1 . 2]" 1
252 1 41 ILE H 1 41 ILE HB 3.300 . 4.800 3.079 2.203 4.008 . 0 0 "[ . 1 . 2]" 1
253 1 41 ILE H 1 57 GLY H 3.300 2.500 4.100 3.785 3.110 4.128 0.028 14 0 "[ . 1 . 2]" 1
254 1 41 ILE H 1 58 TYR HA 3.500 . 5.000 2.852 2.437 3.594 . 0 0 "[ . 1 . 2]" 1
255 1 41 ILE H 1 58 TYR QD 3.500 . 5.000 4.455 3.554 5.050 0.050 11 0 "[ . 1 . 2]" 1
256 1 41 ILE H 1 59 ASN H 3.300 2.500 4.100 3.969 3.610 4.159 0.059 1 0 "[ . 1 . 2]" 1
257 1 46 TYR H 1 46 TYR QB 3.300 . 4.800 2.453 1.991 2.899 . 0 0 "[ . 1 . 2]" 1
258 1 46 TYR HA 1 46 TYR QD 3.300 . 4.800 2.749 2.120 3.755 . 0 0 "[ . 1 . 2]" 1
259 1 47 TYR HA 1 47 TYR QD 3.300 . 4.800 2.602 2.202 3.809 . 0 0 "[ . 1 . 2]" 1
260 1 47 TYR HB2 1 47 TYR QD 3.300 . 4.800 2.428 2.223 2.688 . 0 0 "[ . 1 . 2]" 1
261 1 47 TYR HB3 1 47 TYR QD 3.300 . 4.800 2.459 2.251 2.733 . 0 0 "[ . 1 . 2]" 1
262 1 54 THR H 1 54 THR MG 3.300 . 4.800 3.222 2.209 4.050 . 0 0 "[ . 1 . 2]" 1
263 1 55 PRO HA 1 56 ILE H 3.500 . 5.000 2.226 2.051 2.473 . 0 0 "[ . 1 . 2]" 1
264 1 56 ILE H 1 56 ILE HB 3.300 . 4.800 3.148 2.111 3.854 . 0 0 "[ . 1 . 2]" 1
265 1 56 ILE H 1 56 ILE MD 3.300 . 4.800 4.028 1.801 4.773 . 0 0 "[ . 1 . 2]" 1
266 1 56 ILE H 1 56 ILE QG 3.300 . 4.800 2.427 1.800 3.483 . 0 0 "[ . 1 . 2]" 1
267 1 56 ILE H 1 57 GLY H 3.500 . 5.000 3.302 2.051 4.780 . 0 0 "[ . 1 . 2]" 1
268 1 56 ILE HA 1 56 ILE MD 3.300 . 4.800 3.285 2.127 4.234 . 0 0 "[ . 1 . 2]" 1
269 1 56 ILE HA 1 56 ILE MG 3.300 . 4.800 2.728 2.115 3.299 . 0 0 "[ . 1 . 2]" 1
270 1 56 ILE HA 1 57 GLY H 3.500 . 5.000 2.755 2.192 3.731 . 0 0 "[ . 1 . 2]" 1
271 1 56 ILE HB 1 56 ILE MD 3.300 . 4.800 2.516 2.206 3.325 . 0 0 "[ . 1 . 2]" 1
272 1 56 ILE MD 1 56 ILE MG 3.300 . 4.800 2.470 2.044 3.359 . 0 0 "[ . 1 . 2]" 1
273 1 57 GLY H 1 58 TYR H 3.500 . 5.000 4.348 4.172 4.578 . 0 0 "[ . 1 . 2]" 1
274 1 57 GLY H 1 102 LYS HA 3.500 . 5.000 4.527 2.612 5.009 0.009 20 0 "[ . 1 . 2]" 1
275 1 57 GLY HA2 1 102 LYS HA 3.500 . 5.000 2.852 1.989 4.770 0.011 3 0 "[ . 1 . 2]" 1
276 1 57 GLY HA2 1 103 GLU H 3.500 . 5.000 3.686 2.757 5.062 0.062 14 0 "[ . 1 . 2]" 1
277 1 57 GLY HA3 1 58 TYR H 3.500 . 5.000 2.804 2.328 3.120 . 0 0 "[ . 1 . 2]" 1
278 1 57 GLY HA3 1 102 LYS HA 3.500 . 5.000 2.706 1.969 4.139 0.031 5 0 "[ . 1 . 2]" 1
279 1 58 TYR H 1 58 TYR HB3 3.300 . 4.800 3.732 3.233 3.867 . 0 0 "[ . 1 . 2]" 1
280 1 58 TYR H 1 58 TYR QD 3.300 . 4.800 3.337 2.752 4.016 . 0 0 "[ . 1 . 2]" 1
281 1 58 TYR H 1 101 GLY H 3.300 2.500 4.100 3.453 2.490 4.092 0.010 20 0 "[ . 1 . 2]" 1
282 1 58 TYR HA 1 58 TYR QD 3.300 . 4.800 2.847 2.239 3.074 . 0 0 "[ . 1 . 2]" 1
283 1 58 TYR HA 1 59 ASN H 3.500 . 5.000 2.094 1.995 2.234 0.005 16 0 "[ . 1 . 2]" 1
284 1 58 TYR HB2 1 58 TYR QD 3.300 . 4.800 2.664 2.464 2.828 . 0 0 "[ . 1 . 2]" 1
285 1 58 TYR HB2 1 59 ASN H 3.500 . 5.000 4.041 3.659 4.537 . 0 0 "[ . 1 . 2]" 1
286 1 58 TYR HB3 1 58 TYR QD 3.300 . 4.800 2.168 2.074 2.314 . 0 0 "[ . 1 . 2]" 1
287 1 58 TYR HB3 1 58 TYR QE 3.300 . 4.800 4.251 4.192 4.342 . 0 0 "[ . 1 . 2]" 1
288 1 58 TYR HB3 1 59 ASN H 3.500 . 5.000 2.769 2.237 3.701 . 0 0 "[ . 1 . 2]" 1
289 1 58 TYR QD 1 59 ASN H 3.500 . 5.000 3.354 3.029 3.930 . 0 0 "[ . 1 . 2]" 1
290 1 58 TYR QD 1 74 VAL QG 3.500 . 5.000 4.536 3.691 5.009 0.009 9 0 "[ . 1 . 2]" 1
291 1 58 TYR QD 1 81 VAL QG 3.500 . 5.000 3.443 2.415 5.001 0.001 20 0 "[ . 1 . 2]" 1
292 1 58 TYR QE 1 59 ASN H 3.500 . 5.000 5.046 5.010 5.097 0.097 19 0 "[ . 1 . 2]" 1
293 1 58 TYR QE 1 81 VAL QG 3.500 . 5.000 2.496 2.016 3.393 . 0 0 "[ . 1 . 2]" 1
294 1 59 ASN H 1 59 ASN QB 3.300 . 4.800 2.627 2.218 3.350 . 0 0 "[ . 1 . 2]" 1
295 1 59 ASN HA 1 60 ILE H 3.500 . 5.000 2.221 2.040 2.351 . 0 0 "[ . 1 . 2]" 1
296 1 59 ASN HA 1 100 LYS HA 2.300 . 2.800 2.799 2.614 2.900 0.100 19 0 "[ . 1 . 2]" 1
297 1 59 ASN QB 1 60 ILE H 3.500 . 5.000 3.763 3.251 4.130 . 0 0 "[ . 1 . 2]" 1
298 1 60 ILE H 1 60 ILE HB 3.300 . 4.800 3.220 2.223 4.007 . 0 0 "[ . 1 . 2]" 1
299 1 60 ILE H 1 60 ILE MD 3.300 . 4.800 3.766 2.106 4.673 . 0 0 "[ . 1 . 2]" 1
300 1 60 ILE H 1 99 ILE H 3.300 2.500 4.100 3.268 2.986 3.568 . 0 0 "[ . 1 . 2]" 1
301 1 60 ILE HA 1 60 ILE MD 3.300 . 4.800 3.376 2.188 4.056 . 0 0 "[ . 1 . 2]" 1
302 1 60 ILE HA 1 61 TYR H 3.500 . 5.000 2.199 2.086 2.354 . 0 0 "[ . 1 . 2]" 1
303 1 60 ILE HB 1 60 ILE MD 3.300 . 4.800 2.610 2.130 3.317 . 0 0 "[ . 1 . 2]" 1
304 1 60 ILE MD 1 61 TYR H 3.500 . 5.000 3.815 2.127 5.120 0.120 6 0 "[ . 1 . 2]" 1
305 1 61 TYR H 1 61 TYR HB2 3.300 . 4.800 3.979 3.817 4.121 . 0 0 "[ . 1 . 2]" 1
306 1 61 TYR H 1 61 TYR HB3 3.300 . 4.800 3.057 2.722 3.429 . 0 0 "[ . 1 . 2]" 1
307 1 61 TYR H 1 61 TYR QD 3.300 . 4.800 3.249 2.708 3.535 . 0 0 "[ . 1 . 2]" 1
308 1 61 TYR H 1 61 TYR QE 3.300 . 4.800 4.850 4.352 4.951 0.151 20 0 "[ . 1 . 2]" 1
309 1 61 TYR HA 1 61 TYR QD 3.300 . 4.800 3.500 3.253 3.650 . 0 0 "[ . 1 . 2]" 1
310 1 61 TYR HA 1 62 THR H 3.500 . 5.000 2.219 2.074 2.313 . 0 0 "[ . 1 . 2]" 1
311 1 61 TYR HB2 1 61 TYR QD 3.300 . 4.800 2.408 2.272 2.588 . 0 0 "[ . 1 . 2]" 1
312 1 61 TYR HB2 1 61 TYR QE 3.300 . 4.800 4.413 4.326 4.476 . 0 0 "[ . 1 . 2]" 1
313 1 61 TYR HB3 1 61 TYR QD 3.300 . 4.800 2.422 2.289 2.667 . 0 0 "[ . 1 . 2]" 1
314 1 61 TYR HB3 1 61 TYR QE 3.300 . 4.800 4.433 4.343 4.492 . 0 0 "[ . 1 . 2]" 1
315 1 61 TYR HB3 1 62 THR H 3.500 . 5.000 4.463 4.011 4.835 . 0 0 "[ . 1 . 2]" 1
316 1 61 TYR QD 1 62 THR H 3.500 . 5.000 3.382 2.933 4.028 . 0 0 "[ . 1 . 2]" 1
317 1 61 TYR QE 1 62 THR H 3.500 . 5.000 5.046 4.795 5.143 0.143 15 0 "[ . 1 . 2]" 1
318 1 62 THR H 1 62 THR HB 3.300 . 4.800 3.154 2.570 3.741 . 0 0 "[ . 1 . 2]" 1
319 1 62 THR H 1 62 THR HG1 3.300 . 4.800 2.758 2.371 3.216 . 0 0 "[ . 1 . 2]" 1
320 1 62 THR H 1 97 THR H 3.300 2.500 4.100 3.486 2.983 3.806 . 0 0 "[ . 1 . 2]" 1
321 1 62 THR HA 1 62 THR HG1 3.300 . 4.800 2.748 2.231 3.407 . 0 0 "[ . 1 . 2]" 1
322 1 62 THR HA 1 62 THR HG1 3.300 . 4.800 2.479 2.108 2.990 . 0 0 "[ . 1 . 2]" 1
323 1 62 THR HA 1 62 THR MG 3.300 . 4.800 2.877 2.276 3.345 . 0 0 "[ . 1 . 2]" 1
324 1 62 THR HG1 1 62 THR MG 3.300 . 4.800 2.623 2.083 3.091 . 0 0 "[ . 1 . 2]" 1
325 1 62 THR MG 1 64 TYR H 3.500 . 5.000 4.905 4.371 5.100 0.100 15 0 "[ . 1 . 2]" 1
326 1 63 PRO HA 1 64 TYR H 3.500 . 5.000 2.114 1.986 2.203 0.014 12 0 "[ . 1 . 2]" 1
327 1 63 PRO HA 1 96 ILE H 3.500 . 5.000 4.973 4.833 5.078 0.078 12 0 "[ . 1 . 2]" 1
328 1 64 TYR H 1 64 TYR HB2 3.300 . 4.800 2.414 2.079 2.856 . 0 0 "[ . 1 . 2]" 1
329 1 64 TYR H 1 64 TYR HB3 3.300 . 4.800 3.497 3.114 3.796 . 0 0 "[ . 1 . 2]" 1
330 1 64 TYR H 1 64 TYR QD 3.300 . 4.800 3.374 3.079 3.812 . 0 0 "[ . 1 . 2]" 1
331 1 64 TYR H 1 97 THR H 3.300 2.500 4.100 3.094 2.728 3.558 . 0 0 "[ . 1 . 2]" 1
332 1 64 TYR HA 1 64 TYR QD 3.300 . 4.800 2.239 1.971 2.657 . 0 0 "[ . 1 . 2]" 1
333 1 64 TYR HA 1 64 TYR QE 3.300 . 4.800 4.253 4.136 4.404 . 0 0 "[ . 1 . 2]" 1
334 1 64 TYR HB2 1 64 TYR QD 3.300 . 4.800 2.646 2.370 2.792 . 0 0 "[ . 1 . 2]" 1
335 1 64 TYR HB2 1 65 ASP H 3.500 . 5.000 4.480 3.455 4.752 . 0 0 "[ . 1 . 2]" 1
336 1 64 TYR HB3 1 64 TYR QD 3.300 . 4.800 2.336 2.263 2.719 . 0 0 "[ . 1 . 2]" 1
337 1 64 TYR QD 1 65 ASP H 3.500 . 5.000 4.638 2.776 4.951 . 0 0 "[ . 1 . 2]" 1
338 1 64 TYR QD 1 89 ASP HA 3.500 . 5.000 4.825 4.117 5.052 0.052 13 0 "[ . 1 . 2]" 1
339 1 64 TYR QD 1 89 ASP HB2 3.500 . 5.000 4.226 3.157 5.057 0.057 1 0 "[ . 1 . 2]" 1
340 1 64 TYR QD 1 89 ASP HB3 3.500 . 5.000 4.310 2.977 5.024 0.024 13 0 "[ . 1 . 2]" 1
341 1 64 TYR QE 1 89 ASP HA 3.500 . 5.000 4.535 3.669 5.049 0.049 19 0 "[ . 1 . 2]" 1
342 1 64 TYR QE 1 89 ASP HB2 3.500 . 5.000 2.887 2.182 3.777 . 0 0 "[ . 1 . 2]" 1
343 1 64 TYR QE 1 89 ASP HB3 3.500 . 5.000 3.394 2.018 4.625 . 0 0 "[ . 1 . 2]" 1
344 1 65 ASP H 1 65 ASP HB2 3.300 . 4.800 2.670 2.509 3.670 . 0 0 "[ . 1 . 2]" 1
345 1 65 ASP H 1 65 ASP HB3 3.300 . 4.800 3.519 2.518 3.900 . 0 0 "[ . 1 . 2]" 1
346 1 65 ASP H 1 68 ILE MD 3.500 . 5.000 4.487 3.584 5.083 0.083 17 0 "[ . 1 . 2]" 1
347 1 65 ASP H 1 97 THR H 3.300 2.500 4.100 4.173 4.111 4.280 0.180 12 0 "[ . 1 . 2]" 1
348 1 65 ASP HA 1 66 ASP H 3.500 . 5.000 2.193 2.088 2.370 . 0 0 "[ . 1 . 2]" 1
349 1 66 ASP H 1 67 ARG H 3.500 . 5.000 2.794 2.282 3.743 . 0 0 "[ . 1 . 2]" 1
350 1 66 ASP HA 1 67 ARG H 3.500 . 5.000 2.999 2.490 3.622 . 0 0 "[ . 1 . 2]" 1
351 1 67 ARG H 1 68 ILE H 3.500 . 5.000 2.759 2.367 3.055 . 0 0 "[ . 1 . 2]" 1
352 1 67 ARG HA 1 68 ILE H 3.500 . 5.000 3.660 3.385 3.832 . 0 0 "[ . 1 . 2]" 1
353 1 67 ARG HB3 1 68 ILE H 3.500 . 5.000 4.004 3.331 4.601 . 0 0 "[ . 1 . 2]" 1
354 1 67 ARG QG 1 68 ILE H 3.500 . 5.000 4.393 1.942 5.003 0.058 12 0 "[ . 1 . 2]" 1
355 1 68 ILE H 1 68 ILE HB 3.300 . 4.800 3.092 2.038 3.618 . 0 0 "[ . 1 . 2]" 1
356 1 68 ILE H 1 69 ASP H 3.500 . 5.000 3.536 2.722 4.510 . 0 0 "[ . 1 . 2]" 1
357 1 68 ILE HA 1 69 ASP H 3.500 . 5.000 3.335 2.042 3.646 . 0 0 "[ . 1 . 2]" 1
358 1 69 ASP H 1 69 ASP HB2 3.300 . 4.800 3.223 2.473 4.083 . 0 0 "[ . 1 . 2]" 1
359 1 69 ASP H 1 69 ASP HB3 3.300 . 4.800 3.371 2.567 4.018 . 0 0 "[ . 1 . 2]" 1
360 1 69 ASP HA 1 70 LYS H 3.500 . 5.000 2.223 1.985 2.672 0.015 6 0 "[ . 1 . 2]" 1
361 1 70 LYS H 1 70 LYS HB2 3.300 . 4.800 3.373 2.361 3.750 . 0 0 "[ . 1 . 2]" 1
362 1 70 LYS H 1 70 LYS HB3 3.300 . 4.800 3.445 2.860 4.002 . 0 0 "[ . 1 . 2]" 1
363 1 70 LYS H 1 71 LYS H 3.500 . 5.000 2.476 1.978 4.331 0.022 13 0 "[ . 1 . 2]" 1
364 1 71 LYS H 1 71 LYS QB 3.300 . 4.800 3.137 2.304 3.543 . 0 0 "[ . 1 . 2]" 1
365 1 71 LYS H 1 71 LYS QD 3.300 . 4.800 3.527 2.781 4.103 . 0 0 "[ . 1 . 2]" 1
366 1 71 LYS H 1 72 MET H 3.500 . 5.000 2.858 2.325 4.092 . 0 0 "[ . 1 . 2]" 1
367 1 71 LYS HA 1 72 MET H 3.500 . 5.000 2.476 2.201 3.026 . 0 0 "[ . 1 . 2]" 1
368 1 72 MET H 1 72 MET QB 3.300 . 4.800 2.785 2.454 3.444 . 0 0 "[ . 1 . 2]" 1
369 1 72 MET H 1 72 MET ME 3.300 . 4.800 3.312 2.644 4.184 . 0 0 "[ . 1 . 2]" 1
370 1 72 MET H 1 73 ARG H 3.500 . 5.000 4.411 4.295 4.606 . 0 0 "[ . 1 . 2]" 1
371 1 72 MET H 1 83 PHE QD 3.500 . 5.000 3.290 1.996 4.567 0.004 16 0 "[ . 1 . 2]" 1
372 1 72 MET HA 1 73 ARG H 3.500 . 5.000 2.465 2.028 3.130 . 0 0 "[ . 1 . 2]" 1
373 1 72 MET QB 1 73 ARG H 3.500 . 5.000 2.426 1.974 3.458 0.026 16 0 "[ . 1 . 2]" 1
374 1 72 MET QB 1 83 PHE QD 3.500 . 5.000 3.576 2.695 5.141 0.141 11 0 "[ . 1 . 2]" 1
375 1 72 MET QB 1 83 PHE HZ 3.500 . 5.000 4.524 2.500 5.039 0.039 3 0 "[ . 1 . 2]" 1
376 1 72 MET ME 1 73 ARG H 3.500 . 5.000 3.405 2.015 4.199 . 0 0 "[ . 1 . 2]" 1
377 1 72 MET ME 1 83 PHE QD 3.500 . 5.000 4.692 3.957 5.091 0.091 12 0 "[ . 1 . 2]" 1
378 1 73 ARG H 1 83 PHE QD 3.500 . 5.000 4.911 4.529 5.072 0.072 1 0 "[ . 1 . 2]" 1
379 1 73 ARG HA 1 74 VAL H 3.500 . 5.000 2.269 2.052 2.458 . 0 0 "[ . 1 . 2]" 1
380 1 74 VAL H 1 74 VAL MG1 3.300 . 4.800 2.754 2.008 4.030 . 0 0 "[ . 1 . 2]" 1
381 1 74 VAL H 1 74 VAL QG 3.300 . 4.800 2.363 1.880 3.010 . 0 0 "[ . 1 . 2]" 1
382 1 74 VAL H 1 75 ILE H 3.500 . 5.000 4.421 4.317 4.640 . 0 0 "[ . 1 . 2]" 1
383 1 74 VAL H 1 81 VAL H 3.300 2.500 4.100 3.233 2.729 3.679 . 0 0 "[ . 1 . 2]" 1
384 1 74 VAL H 1 83 PHE QD 3.500 . 5.000 4.575 3.643 5.057 0.057 13 0 "[ . 1 . 2]" 1
385 1 74 VAL HA 1 74 VAL MG1 3.300 . 4.800 2.838 2.276 3.293 . 0 0 "[ . 1 . 2]" 1
386 1 74 VAL HA 1 74 VAL MG2 3.300 . 4.800 2.615 2.237 3.282 . 0 0 "[ . 1 . 2]" 1
387 1 75 ILE H 1 75 ILE HB 3.300 . 4.800 2.824 2.462 3.815 . 0 0 "[ . 1 . 2]" 1
388 1 75 ILE H 1 76 TYR H 3.500 . 5.000 3.991 3.822 4.173 . 0 0 "[ . 1 . 2]" 1
389 1 75 ILE HA 1 76 TYR H 3.500 . 5.000 2.198 2.018 2.364 . 0 0 "[ . 1 . 2]" 1
390 1 75 ILE HA 1 81 VAL H 3.500 . 5.000 3.898 3.518 4.172 . 0 0 "[ . 1 . 2]" 1
391 1 76 TYR H 1 76 TYR HB2 3.300 . 4.800 3.005 2.160 3.878 . 0 0 "[ . 1 . 2]" 1
392 1 76 TYR H 1 76 TYR HB3 3.300 . 4.800 2.756 2.000 3.702 . 0 0 "[ . 1 . 2]" 1
393 1 76 TYR H 1 76 TYR QD 3.300 . 4.800 3.275 2.096 4.175 . 0 0 "[ . 1 . 2]" 1
394 1 76 TYR H 1 77 ARG H 3.500 . 5.000 4.176 3.970 4.412 . 0 0 "[ . 1 . 2]" 1
395 1 76 TYR H 1 79 LYS H 3.500 . 5.000 3.309 2.907 3.652 . 0 0 "[ . 1 . 2]" 1
396 1 76 TYR HA 1 76 TYR QD 3.300 . 4.800 2.812 2.162 3.501 . 0 0 "[ . 1 . 2]" 1
397 1 76 TYR HA 1 76 TYR QE 3.300 . 4.800 4.722 3.774 5.189 0.389 6 0 "[ . 1 . 2]" 1
398 1 76 TYR HB2 1 76 TYR QD 3.300 . 4.800 2.507 2.290 2.786 . 0 0 "[ . 1 . 2]" 1
399 1 76 TYR HB2 1 76 TYR QE 3.300 . 4.800 4.410 4.319 4.526 . 0 0 "[ . 1 . 2]" 1
400 1 76 TYR HB3 1 76 TYR QD 3.300 . 4.800 2.307 2.200 2.479 . 0 0 "[ . 1 . 2]" 1
401 1 76 TYR QD 1 81 VAL QG 3.500 . 5.000 3.594 2.954 4.164 . 0 0 "[ . 1 . 2]" 1
402 1 76 TYR QE 1 81 VAL QG 3.500 . 5.000 3.907 2.080 5.165 0.165 15 0 "[ . 1 . 2]" 1
403 1 77 ARG H 1 78 GLY H 3.500 . 5.000 2.981 2.780 3.143 . 0 0 "[ . 1 . 2]" 1
404 1 77 ARG HA 1 78 GLY H 3.500 . 5.000 2.794 2.624 2.919 . 0 0 "[ . 1 . 2]" 1
405 1 78 GLY HA2 1 79 LYS H 3.500 . 5.000 3.332 3.072 3.447 . 0 0 "[ . 1 . 2]" 1
406 1 78 GLY HA3 1 79 LYS H 3.500 . 5.000 3.438 3.274 3.522 . 0 0 "[ . 1 . 2]" 1
407 1 79 LYS H 1 79 LYS QB 3.300 . 4.800 2.402 2.262 2.510 . 0 0 "[ . 1 . 2]" 1
408 1 79 LYS H 1 80 ILE H 3.500 . 5.000 4.424 4.129 4.643 . 0 0 "[ . 1 . 2]" 1
409 1 79 LYS HA 1 80 ILE H 3.500 . 5.000 2.225 2.084 2.386 . 0 0 "[ . 1 . 2]" 1
410 1 80 ILE H 1 80 ILE HB 3.300 . 4.800 3.055 2.386 3.633 . 0 0 "[ . 1 . 2]" 1
411 1 80 ILE HA 1 80 ILE MD 3.300 . 4.800 3.675 2.090 4.212 . 0 0 "[ . 1 . 2]" 1
412 1 80 ILE HA 1 81 VAL H 3.500 . 5.000 2.147 2.033 2.236 . 0 0 "[ . 1 . 2]" 1
413 1 81 VAL H 1 81 VAL HB 3.300 . 4.800 3.041 2.396 3.903 . 0 0 "[ . 1 . 2]" 1
414 1 81 VAL H 1 81 VAL QG 3.300 . 4.800 2.532 2.007 3.106 . 0 0 "[ . 1 . 2]" 1
415 1 81 VAL HA 1 82 THR H 3.500 . 5.000 2.303 2.159 2.503 . 0 0 "[ . 1 . 2]" 1
416 1 81 VAL HB 1 82 THR H 3.500 . 5.000 3.710 2.410 4.548 . 0 0 "[ . 1 . 2]" 1
417 1 81 VAL QG 1 82 THR H 3.500 . 5.000 2.670 1.993 3.394 0.007 20 0 "[ . 1 . 2]" 1
418 1 82 THR H 1 82 THR HB 3.300 . 4.800 3.191 2.604 4.208 . 0 0 "[ . 1 . 2]" 1
419 1 82 THR H 1 82 THR HG1 3.300 . 4.800 2.558 2.096 3.385 . 0 0 "[ . 1 . 2]" 1
420 1 82 THR H 1 83 PHE H 3.500 . 5.000 4.418 4.237 4.588 . 0 0 "[ . 1 . 2]" 1
421 1 82 THR HA 1 82 THR HG1 3.300 . 4.800 2.572 2.068 3.038 . 0 0 "[ . 1 . 2]" 1
422 1 82 THR HA 1 83 PHE H 3.500 . 5.000 2.371 2.159 3.684 . 0 0 "[ . 1 . 2]" 1
423 1 82 THR HA 1 83 PHE QD 3.500 . 5.000 3.766 3.151 5.125 0.125 11 0 "[ . 1 . 2]" 1
424 1 82 THR HB 1 83 PHE H 3.500 . 5.000 3.958 2.292 4.368 . 0 0 "[ . 1 . 2]" 1
425 1 83 PHE H 1 83 PHE HB2 3.300 . 4.800 3.922 3.146 4.085 . 0 0 "[ . 1 . 2]" 1
426 1 83 PHE H 1 83 PHE HB3 3.300 . 4.800 3.611 3.068 4.221 . 0 0 "[ . 1 . 2]" 1
427 1 83 PHE H 1 83 PHE QD 3.300 . 4.800 2.426 1.935 3.586 . 0 0 "[ . 1 . 2]" 1
428 1 83 PHE H 1 84 ILE H 3.500 . 5.000 4.391 3.918 4.554 . 0 0 "[ . 1 . 2]" 1
429 1 83 PHE HA 1 83 PHE QD 3.300 . 4.800 3.576 2.472 3.837 . 0 0 "[ . 1 . 2]" 1
430 1 83 PHE HA 1 84 ILE H 3.500 . 5.000 2.517 2.054 3.680 . 0 0 "[ . 1 . 2]" 1
431 1 83 PHE QB 1 84 ILE H 3.500 . 5.000 2.522 2.095 2.882 . 0 0 "[ . 1 . 2]" 1
432 1 83 PHE QD 1 84 ILE H 3.500 . 5.000 4.257 3.221 4.605 . 0 0 "[ . 1 . 2]" 1
433 1 84 ILE H 1 84 ILE HB 3.300 . 4.800 3.355 2.444 3.858 . 0 0 "[ . 1 . 2]" 1
434 1 87 PRO HA 1 88 VAL H 3.500 . 5.000 2.272 2.208 2.350 . 0 0 "[ . 1 . 2]" 1
435 1 87 PRO HA 1 99 ILE HA 2.300 . 2.800 2.599 2.174 2.977 0.177 20 0 "[ . 1 . 2]" 1
436 1 87 PRO HA 1 99 ILE MD 3.500 . 5.000 3.598 1.965 4.520 0.035 11 0 "[ . 1 . 2]" 1
437 1 87 PRO HA 1 99 ILE MG 3.500 . 5.000 3.260 2.186 4.360 . 0 0 "[ . 1 . 2]" 1
438 1 88 VAL H 1 88 VAL HB 3.300 . 4.800 3.049 2.546 3.945 . 0 0 "[ . 1 . 2]" 1
439 1 88 VAL H 1 88 VAL MG1 3.300 . 4.800 3.371 2.166 3.967 . 0 0 "[ . 1 . 2]" 1
440 1 88 VAL H 1 88 VAL MG2 3.300 . 4.800 2.985 2.251 4.033 . 0 0 "[ . 1 . 2]" 1
441 1 88 VAL H 1 98 ARG H 3.300 2.500 4.100 3.357 3.065 3.994 . 0 0 "[ . 1 . 2]" 1
442 1 88 VAL HA 1 88 VAL MG1 3.300 . 4.800 2.581 2.250 3.280 . 0 0 "[ . 1 . 2]" 1
443 1 88 VAL HA 1 88 VAL MG2 3.300 . 4.800 2.579 2.220 3.271 . 0 0 "[ . 1 . 2]" 1
444 1 88 VAL HA 1 89 ASP H 3.500 . 5.000 2.299 2.177 2.464 . 0 0 "[ . 1 . 2]" 1
445 1 89 ASP H 1 89 ASP HB2 3.300 . 4.800 3.589 2.659 3.795 . 0 0 "[ . 1 . 2]" 1
446 1 89 ASP H 1 89 ASP HB3 3.300 . 4.800 3.177 2.850 3.824 . 0 0 "[ . 1 . 2]" 1
447 1 89 ASP HA 1 90 LEU H 3.500 . 5.000 2.263 2.079 2.422 . 0 0 "[ . 1 . 2]" 1
448 1 89 ASP HA 1 97 THR HA 2.300 . 2.800 2.481 2.005 2.845 0.045 16 0 "[ . 1 . 2]" 1
449 1 89 ASP HA 1 98 ARG H 3.500 . 5.000 3.483 2.999 3.903 . 0 0 "[ . 1 . 2]" 1
450 1 90 LEU H 1 90 LEU QB 3.300 . 4.800 2.302 2.057 2.535 . 0 0 "[ . 1 . 2]" 1
451 1 90 LEU H 1 90 LEU HG 3.300 . 4.800 3.964 2.435 4.535 . 0 0 "[ . 1 . 2]" 1
452 1 90 LEU H 1 97 THR HA 3.500 . 5.000 3.364 2.544 4.778 . 0 0 "[ . 1 . 2]" 1
453 1 90 LEU HA 1 90 LEU HG 3.300 . 4.800 3.135 2.228 3.730 . 0 0 "[ . 1 . 2]" 1
454 1 95 GLU H 1 96 ILE H 3.500 . 5.000 3.282 2.229 4.533 . 0 0 "[ . 1 . 2]" 1
455 1 96 ILE H 1 96 ILE HB 3.300 . 4.800 3.025 2.435 3.824 . 0 0 "[ . 1 . 2]" 1
456 1 97 THR H 1 97 THR HB 3.300 . 4.800 3.042 2.405 3.887 . 0 0 "[ . 1 . 2]" 1
457 1 97 THR H 1 97 THR HG1 3.300 . 4.800 2.990 1.936 3.634 . 0 0 "[ . 1 . 2]" 1
458 1 97 THR HA 1 97 THR MG 3.300 . 4.800 2.392 2.185 3.247 . 0 0 "[ . 1 . 2]" 1
459 1 97 THR HA 1 98 ARG H 3.500 . 5.000 2.182 2.044 2.268 . 0 0 "[ . 1 . 2]" 1
460 1 97 THR HB 1 98 ARG H 3.500 . 5.000 3.829 2.573 4.345 . 0 0 "[ . 1 . 2]" 1
461 1 97 THR HG1 1 98 ARG H 3.500 . 5.000 3.046 2.310 3.723 . 0 0 "[ . 1 . 2]" 1
462 1 98 ARG H 1 98 ARG QB 3.300 . 4.800 2.575 2.208 3.152 . 0 0 "[ . 1 . 2]" 1
463 1 98 ARG H 1 98 ARG QG 3.300 . 4.800 3.554 2.389 4.147 . 0 0 "[ . 1 . 2]" 1
464 1 98 ARG HA 1 99 ILE H 3.500 . 5.000 2.196 2.106 2.295 . 0 0 "[ . 1 . 2]" 1
465 1 98 ARG QB 1 99 ILE H 3.500 . 5.000 3.512 2.871 3.943 . 0 0 "[ . 1 . 2]" 1
466 1 98 ARG QG 1 99 ILE H 3.500 . 5.000 3.365 2.553 4.789 . 0 0 "[ . 1 . 2]" 1
467 1 99 ILE HA 1 99 ILE MD 3.300 . 4.800 3.386 2.201 4.062 . 0 0 "[ . 1 . 2]" 1
468 1 99 ILE HA 1 99 ILE MG 3.300 . 4.800 2.867 2.187 3.252 . 0 0 "[ . 1 . 2]" 1
469 1 100 LYS H 1 100 LYS QB 3.300 . 4.800 2.716 2.328 3.251 . 0 0 "[ . 1 . 2]" 1
470 1 100 LYS H 1 101 GLY H 3.500 . 5.000 4.183 3.938 4.504 . 0 0 "[ . 1 . 2]" 1
471 1 100 LYS HA 1 100 LYS QG 3.300 . 4.800 2.720 2.261 3.534 . 0 0 "[ . 1 . 2]" 1
472 1 101 GLY H 1 102 LYS H 3.500 . 5.000 4.365 4.172 4.627 . 0 0 "[ . 1 . 2]" 1
473 1 101 GLY HA3 1 102 LYS H 3.500 . 5.000 3.078 2.879 3.336 . 0 0 "[ . 1 . 2]" 1
474 1 102 LYS H 1 102 LYS QB 3.300 . 4.800 2.990 2.469 3.349 . 0 0 "[ . 1 . 2]" 1
475 1 102 LYS H 1 102 LYS QG 3.300 . 4.800 2.936 2.112 4.215 . 0 0 "[ . 1 . 2]" 1
476 1 102 LYS HA 1 102 LYS QG 3.300 . 4.800 3.105 2.315 3.549 . 0 0 "[ . 1 . 2]" 1
477 1 102 LYS HA 1 103 GLU H 3.500 . 5.000 2.355 2.060 2.651 . 0 0 "[ . 1 . 2]" 1
478 1 102 LYS QB 1 102 LYS QE 3.300 . 4.800 2.912 2.142 3.953 . 0 0 "[ . 1 . 2]" 1
479 1 102 LYS QB 1 103 GLU H 3.500 . 5.000 2.829 2.309 3.928 . 0 0 "[ . 1 . 2]" 1
480 1 102 LYS QE 1 102 LYS QG 3.300 . 4.800 2.442 2.204 2.917 . 0 0 "[ . 1 . 2]" 1
481 1 102 LYS QG 1 103 GLU H 3.500 . 5.000 3.719 2.238 4.462 . 0 0 "[ . 1 . 2]" 1
482 1 103 GLU H 1 103 GLU QB 3.300 . 4.800 2.580 2.251 3.114 . 0 0 "[ . 1 . 2]" 1
483 1 103 GLU H 1 104 ASP H 3.500 . 5.000 4.346 4.056 4.590 . 0 0 "[ . 1 . 2]" 1
484 1 103 GLU HA 1 104 ASP H 3.500 . 5.000 2.208 2.105 2.349 . 0 0 "[ . 1 . 2]" 1
485 1 104 ASP H 1 104 ASP HB2 3.300 . 4.800 3.139 2.460 3.995 . 0 0 "[ . 1 . 2]" 1
486 1 104 ASP H 1 104 ASP HB3 3.300 . 4.800 3.512 2.562 4.210 . 0 0 "[ . 1 . 2]" 1
487 1 104 ASP H 1 105 GLY H 3.500 . 5.000 3.599 2.033 4.306 . 0 0 "[ . 1 . 2]" 1
488 1 104 ASP HA 1 105 GLY H 3.500 . 5.000 2.767 2.187 3.590 . 0 0 "[ . 1 . 2]" 1
489 1 105 GLY HA3 1 106 ALA H 3.500 . 5.000 2.755 2.162 3.571 . 0 0 "[ . 1 . 2]" 1
490 1 106 ALA H 1 106 ALA MB 3.300 . 4.800 2.619 2.185 3.072 . 0 0 "[ . 1 . 2]" 1
491 1 106 ALA HA 1 107 TYR H 3.500 . 5.000 2.844 2.204 3.616 . 0 0 "[ . 1 . 2]" 1
492 1 106 ALA MB 1 107 TYR H 3.500 . 5.000 3.061 2.008 3.793 . 0 0 "[ . 1 . 2]" 1
493 1 107 TYR H 1 107 TYR QB 3.300 . 4.800 2.814 2.317 3.488 . 0 0 "[ . 1 . 2]" 1
494 1 107 TYR HA 1 107 TYR QD 3.300 . 4.800 2.583 2.224 3.729 . 0 0 "[ . 1 . 2]" 1
495 1 107 TYR HA 1 108 VAL H 3.500 . 5.000 2.746 2.180 3.630 . 0 0 "[ . 1 . 2]" 1
496 1 108 VAL H 1 108 VAL HB 3.300 . 4.800 3.259 2.617 3.905 . 0 0 "[ . 1 . 2]" 1
497 1 108 VAL H 1 108 VAL QG 3.300 . 4.800 2.202 1.793 3.283 0.007 11 0 "[ . 1 . 2]" 1
498 1 108 VAL HA 1 109 GLY H 3.500 . 5.000 2.883 2.160 3.618 . 0 0 "[ . 1 . 2]" 1
499 1 108 VAL QG 1 109 GLY H 3.500 . 5.000 3.043 2.317 3.782 . 0 0 "[ . 1 . 2]" 1
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