NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
372971 |
1dip   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dip
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 410
_Distance_constraint_stats_list.Viol_count 477
_Distance_constraint_stats_list.Viol_total 513.660
_Distance_constraint_stats_list.Viol_max 0.538
_Distance_constraint_stats_list.Viol_rms 0.0473
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0125
_Distance_constraint_stats_list.Viol_average_violations_only 0.1077
_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 MET 0.031 0.022 7 0 "[ . 1]"
1 3 ASP 0.057 0.026 5 0 "[ . 1]"
1 4 LEU 0.384 0.117 2 0 "[ . 1]"
1 5 VAL 0.470 0.087 2 0 "[ . 1]"
1 6 LYS 0.199 0.052 4 0 "[ . 1]"
1 7 ASN 1.424 0.257 7 0 "[ . 1]"
1 8 HIS 3.256 0.433 9 0 "[ . 1]"
1 9 LEU 1.349 0.433 9 0 "[ . 1]"
1 10 MET 3.895 0.326 6 0 "[ . 1]"
1 11 TYR 0.839 0.215 4 0 "[ . 1]"
1 12 ALA 2.975 0.366 9 0 "[ . 1]"
1 13 VAL 3.222 0.326 6 0 "[ . 1]"
1 14 ARG 0.311 0.129 6 0 "[ . 1]"
1 15 GLU 0.000 0.000 . 0 "[ . 1]"
1 16 GLU 0.311 0.129 6 0 "[ . 1]"
1 48 GLU 0.090 0.046 2 0 "[ . 1]"
1 49 GLN 1.562 0.407 6 0 "[ . 1]"
1 50 LEU 4.797 0.538 1 1 "[+ . 1]"
1 51 GLU 2.266 0.407 6 0 "[ . 1]"
1 52 LYS 1.459 0.274 3 0 "[ . 1]"
1 53 PHE 8.513 0.538 1 1 "[+ . 1]"
1 54 GLN 3.461 0.350 6 0 "[ . 1]"
1 55 SER 0.390 0.195 1 0 "[ . 1]"
1 56 ARG 0.078 0.055 7 0 "[ . 1]"
1 57 LEU 2.770 0.389 5 0 "[ . 1]"
1 58 SER 1.566 0.389 5 0 "[ . 1]"
1 59 PRO 2.009 0.355 4 0 "[ . 1]"
1 60 GLU 2.656 0.355 4 0 "[ . 1]"
1 61 GLU 0.000 0.000 . 0 "[ . 1]"
1 62 PRO 0.098 0.065 2 0 "[ . 1]"
1 63 ALA 0.098 0.065 2 0 "[ . 1]"
1 64 PRO 0.404 0.104 9 0 "[ . 1]"
1 65 GLU 0.569 0.104 9 0 "[ . 1]"
1 66 THR 0.166 0.062 4 0 "[ . 1]"
1 67 PRO 0.022 0.014 2 0 "[ . 1]"
1 68 GLU 0.042 0.020 4 0 "[ . 1]"
1 69 ALA 0.020 0.020 4 0 "[ . 1]"
1 70 PRO 0.291 0.040 4 0 "[ . 1]"
1 71 GLU 0.291 0.040 4 0 "[ . 1]"
1 72 ALA 0.000 0.000 . 0 "[ . 1]"
1 73 PRO 0.000 0.000 . 0 "[ . 1]"
1 74 GLY 0.000 0.000 . 0 "[ . 1]"
1 75 GLY 0.000 0.000 . 0 "[ . 1]"
1 76 SER 0.000 0.000 . 0 "[ . 1]"
1 77 ALA 0.000 0.000 . 0 "[ . 1]"
1 78 VAL 0.000 0.000 . 0 "[ . 1]"
2 2 MET 0.046 0.035 8 0 "[ . 1]"
2 3 ASP 0.041 0.035 8 0 "[ . 1]"
2 4 LEU 0.490 0.101 10 0 "[ . 1]"
2 5 VAL 0.467 0.099 9 0 "[ . 1]"
2 6 LYS 0.166 0.054 9 0 "[ . 1]"
2 7 ASN 1.713 0.234 5 0 "[ . 1]"
2 8 HIS 2.538 0.326 6 0 "[ . 1]"
2 9 LEU 1.028 0.191 10 0 "[ . 1]"
2 10 MET 4.419 0.270 8 0 "[ . 1]"
2 11 TYR 0.893 0.265 4 0 "[ . 1]"
2 12 ALA 2.928 0.326 6 0 "[ . 1]"
2 13 VAL 3.003 0.270 8 0 "[ . 1]"
2 14 ARG 0.126 0.080 2 0 "[ . 1]"
2 15 GLU 0.000 0.000 . 0 "[ . 1]"
2 16 GLU 0.126 0.080 2 0 "[ . 1]"
2 48 GLU 0.178 0.106 3 0 "[ . 1]"
2 49 GLN 1.519 0.270 6 0 "[ . 1]"
2 50 LEU 3.965 0.504 2 1 "[ + . 1]"
2 51 GLU 1.401 0.270 6 0 "[ . 1]"
2 52 LYS 1.062 0.291 3 0 "[ . 1]"
2 53 PHE 7.082 0.504 2 1 "[ + . 1]"
2 54 GLN 3.178 0.200 6 0 "[ . 1]"
2 55 SER 0.334 0.182 3 0 "[ . 1]"
2 56 ARG 0.057 0.057 1 0 "[ . 1]"
2 57 LEU 4.217 0.426 8 0 "[ . 1]"
2 58 SER 2.904 0.368 7 0 "[ . 1]"
2 59 PRO 1.958 0.441 8 0 "[ . 1]"
2 60 GLU 2.946 0.441 8 0 "[ . 1]"
2 61 GLU 0.000 0.000 . 0 "[ . 1]"
2 62 PRO 0.051 0.028 9 0 "[ . 1]"
2 63 ALA 0.051 0.028 9 0 "[ . 1]"
2 64 PRO 0.350 0.106 7 0 "[ . 1]"
2 65 GLU 0.518 0.106 7 0 "[ . 1]"
2 66 THR 0.168 0.078 1 0 "[ . 1]"
2 67 PRO 0.038 0.038 8 0 "[ . 1]"
2 68 GLU 0.079 0.040 3 0 "[ . 1]"
2 69 ALA 0.040 0.040 3 0 "[ . 1]"
2 70 PRO 0.154 0.058 4 0 "[ . 1]"
2 71 GLU 0.154 0.058 4 0 "[ . 1]"
2 72 ALA 0.000 0.000 . 0 "[ . 1]"
2 73 PRO 0.000 0.000 . 0 "[ . 1]"
2 74 GLY 0.000 0.000 . 0 "[ . 1]"
2 75 GLY 0.000 0.000 . 0 "[ . 1]"
2 76 SER 0.000 0.000 . 0 "[ . 1]"
2 77 ALA 0.000 0.000 . 0 "[ . 1]"
2 78 VAL 0.000 0.000 . 0 "[ . 1]"
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 MET H 1 3 ASP H 1.800 . 5.500 4.046 2.301 4.702 . 0 0 "[ . 1]" 1
2 1 2 MET HA 1 3 ASP H 1.800 . 2.700 2.365 2.192 2.722 0.022 7 0 "[ . 1]" 1
3 1 2 MET HA 1 4 LEU H 1.800 . 5.500 3.719 3.113 4.488 . 0 0 "[ . 1]" 1
4 1 2 MET HA 1 5 VAL H 1.800 . 5.500 4.551 3.448 5.286 . 0 0 "[ . 1]" 1
5 1 2 MET QB 1 3 ASP H 1.800 . 4.500 3.249 2.465 4.042 . 0 0 "[ . 1]" 1
6 1 3 ASP H 1 4 LEU H 1.800 . 2.700 2.142 1.845 2.726 0.026 5 0 "[ . 1]" 1
7 1 3 ASP H 1 5 VAL H 1.800 . 5.500 3.648 2.884 4.463 . 0 0 "[ . 1]" 1
8 1 3 ASP HA 1 4 LEU H 1.800 . 4.000 3.315 2.836 3.593 . 0 0 "[ . 1]" 1
9 1 3 ASP HA 1 5 VAL H 1.800 . 5.500 4.466 3.558 5.151 . 0 0 "[ . 1]" 1
10 1 3 ASP HA 1 6 LYS QB 1.800 . 4.500 3.706 2.564 4.115 . 0 0 "[ . 1]" 1
11 1 3 ASP HB2 1 4 LEU H 1.800 . 5.500 3.822 2.921 4.633 . 0 0 "[ . 1]" 1
12 1 3 ASP HB3 1 4 LEU H 1.800 . 5.500 3.622 2.369 4.549 . 0 0 "[ . 1]" 1
13 1 4 LEU H 1 5 VAL H 1.800 . 2.700 2.346 2.059 2.675 . 0 0 "[ . 1]" 1
14 1 4 LEU HA 1 5 VAL H 1.800 . 4.000 3.525 3.434 3.580 . 0 0 "[ . 1]" 1
15 1 4 LEU HA 1 7 ASN H 1.800 . 4.000 3.926 3.498 4.117 0.117 2 0 "[ . 1]" 1
16 1 4 LEU HA 1 7 ASN QB 1.800 . 4.500 2.726 1.954 3.757 . 0 0 "[ . 1]" 1
17 1 4 LEU QB 1 5 VAL H 1.800 . 4.500 3.018 1.946 3.675 . 0 0 "[ . 1]" 1
18 1 4 LEU MD2 1 5 VAL H 1.800 . 4.500 3.106 2.039 3.645 . 0 0 "[ . 1]" 1
19 1 4 LEU HG 1 5 VAL H 1.800 . 4.000 2.812 1.850 4.087 0.087 2 0 "[ . 1]" 1
20 1 5 VAL H 1 6 LYS H 1.800 . 2.700 2.614 2.520 2.712 0.012 2 0 "[ . 1]" 1
21 1 5 VAL H 1 7 ASN H 1.800 . 5.500 4.338 3.988 4.705 . 0 0 "[ . 1]" 1
22 1 5 VAL HA 1 6 LYS H 1.800 . 4.000 3.509 3.468 3.565 . 0 0 "[ . 1]" 1
23 1 5 VAL HA 1 7 ASN H 1.800 . 5.500 3.658 3.359 4.001 . 0 0 "[ . 1]" 1
24 1 5 VAL HA 1 8 HIS H 1.800 . 5.500 3.914 2.747 4.438 . 0 0 "[ . 1]" 1
25 1 5 VAL HA 1 8 HIS QB 1.800 . 6.000 4.674 2.078 5.493 . 0 0 "[ . 1]" 1
26 1 5 VAL HB 1 6 LYS H 1.800 . 4.000 3.678 2.560 4.052 0.052 4 0 "[ . 1]" 1
27 1 5 VAL HB 1 8 HIS HD2 1.800 . 5.500 5.298 4.503 5.567 0.067 6 0 "[ . 1]" 1
28 1 5 VAL MG1 1 6 LYS H 1.800 . 4.500 3.717 3.503 3.784 . 0 0 "[ . 1]" 1
29 1 5 VAL MG2 1 6 LYS H 1.800 . 4.500 2.338 1.807 3.767 . 0 0 "[ . 1]" 1
30 1 6 LYS H 1 8 HIS H 1.800 . 5.500 4.712 3.904 5.508 0.008 9 0 "[ . 1]" 1
31 1 6 LYS HA 1 7 ASN H 1.800 . 4.000 3.056 2.718 3.462 . 0 0 "[ . 1]" 1
32 1 6 LYS HA 1 8 HIS H 1.800 . 5.500 4.807 4.197 5.430 . 0 0 "[ . 1]" 1
33 1 6 LYS QB 1 7 ASN H 1.800 . 4.500 3.715 2.888 4.067 . 0 0 "[ . 1]" 1
34 1 7 ASN H 1 8 HIS H 1.800 . 4.000 2.252 1.986 3.212 . 0 0 "[ . 1]" 1
35 1 7 ASN H 1 9 LEU H 1.800 . 5.500 3.468 2.593 4.479 . 0 0 "[ . 1]" 1
36 1 7 ASN HA 1 8 HIS H 1.800 . 4.000 3.464 3.048 3.569 . 0 0 "[ . 1]" 1
37 1 7 ASN HA 1 10 MET H 1.800 . 5.500 5.613 5.488 5.757 0.257 7 0 "[ . 1]" 1
38 1 7 ASN QB 1 8 HIS H 1.800 . 4.500 2.555 1.798 3.620 0.002 9 0 "[ . 1]" 1
39 1 7 ASN QB 1 8 HIS HD2 1.800 . 4.500 4.294 4.198 4.548 0.048 7 0 "[ . 1]" 1
40 1 8 HIS H 1 9 LEU H 1.800 . 4.000 2.841 2.426 3.255 . 0 0 "[ . 1]" 1
41 1 8 HIS HA 1 9 LEU H 1.800 . 4.000 3.185 2.828 3.464 . 0 0 "[ . 1]" 1
42 1 8 HIS HA 1 11 TYR H 1.800 . 5.500 4.080 3.413 5.594 0.094 7 0 "[ . 1]" 1
43 1 8 HIS HA 1 11 TYR QB 1.800 . 4.500 3.607 3.386 3.949 . 0 0 "[ . 1]" 1
44 1 8 HIS HA 1 11 TYR QD 1.800 . 6.000 4.160 2.231 4.719 . 0 0 "[ . 1]" 1
45 1 8 HIS HA 1 12 ALA H 1.800 . 5.500 5.564 4.458 5.866 0.366 9 0 "[ . 1]" 1
46 1 8 HIS QB 1 9 LEU H 1.800 . 4.500 3.878 3.513 4.082 . 0 0 "[ . 1]" 1
47 1 8 HIS HD2 1 9 LEU HA 1.800 . 5.500 3.178 2.322 3.711 . 0 0 "[ . 1]" 1
48 1 8 HIS HD2 1 9 LEU HG 1.800 . 4.000 3.829 2.359 4.433 0.433 9 0 "[ . 1]" 1
49 1 8 HIS HD2 1 11 TYR QB 1.800 . 6.000 5.005 4.572 5.482 . 0 0 "[ . 1]" 1
50 1 8 HIS HD2 1 12 ALA MB 1.800 . 6.000 4.987 4.823 5.170 . 0 0 "[ . 1]" 1
51 1 8 HIS HD2 1 13 VAL HA 1.800 . 5.500 5.328 4.892 5.572 0.072 9 0 "[ . 1]" 1
52 1 9 LEU H 1 11 TYR H 1.800 . 5.500 4.343 3.962 4.814 . 0 0 "[ . 1]" 1
53 1 9 LEU HA 1 10 MET H 1.800 . 4.000 3.401 2.865 3.601 . 0 0 "[ . 1]" 1
54 1 9 LEU HA 1 12 ALA H 1.800 . 4.000 3.224 2.884 3.740 . 0 0 "[ . 1]" 1
55 1 9 LEU HA 1 12 ALA MB 1.800 . 4.500 3.730 3.591 3.794 . 0 0 "[ . 1]" 1
56 1 9 LEU QB 1 10 MET H 1.800 . 6.000 3.047 1.750 3.822 0.050 7 0 "[ . 1]" 1
57 1 9 LEU MD1 1 10 MET H 1.800 . 4.500 3.178 1.690 3.869 0.110 4 0 "[ . 1]" 1
58 1 9 LEU MD1 1 11 TYR QD 1.800 . 6.500 3.725 2.774 4.076 . 0 0 "[ . 1]" 1
59 1 9 LEU MD1 1 11 TYR QE 1.800 . 6.500 3.918 3.323 4.602 . 0 0 "[ . 1]" 1
60 1 9 LEU HG 1 10 MET H 1.800 . 5.500 4.599 2.790 5.301 . 0 0 "[ . 1]" 1
61 1 10 MET HA 1 11 TYR H 1.800 . 4.000 3.274 2.819 3.537 . 0 0 "[ . 1]" 1
62 1 10 MET HA 1 13 VAL H 1.800 . 4.000 4.230 4.095 4.326 0.326 6 0 "[ . 1]" 1
63 1 10 MET HA 1 13 VAL HB 1.800 . 4.000 3.868 3.354 4.085 0.085 4 0 "[ . 1]" 1
64 1 11 TYR H 1 12 ALA H 1.800 . 4.000 2.327 1.721 2.970 0.079 10 0 "[ . 1]" 1
65 1 11 TYR HA 1 12 ALA H 1.800 . 4.000 3.419 3.325 3.476 . 0 0 "[ . 1]" 1
66 1 11 TYR HA 1 13 VAL H 1.800 . 5.500 5.107 4.899 5.454 . 0 0 "[ . 1]" 1
67 1 11 TYR QB 1 12 ALA H 1.800 . 4.500 3.439 2.820 3.759 . 0 0 "[ . 1]" 1
68 1 11 TYR QD 1 12 ALA H 1.800 . 6.000 1.857 1.585 2.387 0.215 4 0 "[ . 1]" 1
69 1 11 TYR QD 1 12 ALA HA 1.800 . 6.000 4.074 3.815 4.317 . 0 0 "[ . 1]" 1
70 1 11 TYR QD 1 12 ALA MB 1.800 . 5.000 2.620 2.268 2.836 . 0 0 "[ . 1]" 1
71 1 11 TYR QD 1 13 VAL HA 1.800 . 6.000 4.327 4.153 4.987 . 0 0 "[ . 1]" 1
72 1 11 TYR QD 1 14 ARG QB 1.800 . 6.500 4.819 4.291 5.297 . 0 0 "[ . 1]" 1
73 1 11 TYR QD 1 14 ARG QD 1.800 . 6.500 4.822 4.231 5.425 . 0 0 "[ . 1]" 1
74 1 11 TYR QE 1 12 ALA HA 1.800 . 6.000 4.675 4.265 4.938 . 0 0 "[ . 1]" 1
75 1 11 TYR QE 1 12 ALA MB 1.800 . 6.500 2.215 1.809 2.638 . 0 0 "[ . 1]" 1
76 1 11 TYR QE 1 14 ARG QD 1.800 . 6.500 3.030 2.223 3.968 . 0 0 "[ . 1]" 1
77 1 11 TYR QE 1 14 ARG HG2 1.800 . 6.000 3.621 2.209 5.502 . 0 0 "[ . 1]" 1
78 1 11 TYR QE 1 14 ARG HG3 1.800 . 6.000 4.649 3.465 5.698 . 0 0 "[ . 1]" 1
79 1 12 ALA H 1 13 VAL H 1.800 . 4.000 1.800 1.672 2.136 0.128 8 0 "[ . 1]" 1
80 1 12 ALA MB 1 13 VAL H 1.800 . 4.500 2.592 2.169 2.889 . 0 0 "[ . 1]" 1
81 1 13 VAL H 1 14 ARG H 1.800 . 5.500 2.480 2.076 2.735 . 0 0 "[ . 1]" 1
82 1 13 VAL QG 1 14 ARG H 1.800 . 4.500 3.326 3.247 3.373 . 0 0 "[ . 1]" 1
83 1 14 ARG H 1 16 GLU H 1.800 . 5.500 5.350 4.694 5.629 0.129 6 0 "[ . 1]" 1
84 1 14 ARG HA 1 15 GLU H 1.800 . 4.000 2.638 2.171 3.613 . 0 0 "[ . 1]" 1
85 1 48 GLU HA 1 49 GLN H 1.800 . 5.500 2.527 2.167 3.570 . 0 0 "[ . 1]" 1
86 1 48 GLU HA 1 50 LEU H 1.800 . 5.500 4.377 3.479 5.546 0.046 2 0 "[ . 1]" 1
87 1 48 GLU QB 1 49 GLN H 1.800 . 6.000 3.080 1.836 3.983 . 0 0 "[ . 1]" 1
88 1 49 GLN H 1 50 LEU HA 1.800 . 5.500 4.483 3.696 5.285 . 0 0 "[ . 1]" 1
89 1 49 GLN H 1 50 LEU MD1 1.800 . 6.000 3.378 2.053 5.148 . 0 0 "[ . 1]" 1
90 1 49 GLN H 1 50 LEU MD2 1.800 . 6.000 3.704 1.985 5.024 . 0 0 "[ . 1]" 1
91 1 49 GLN H 1 50 LEU HG 1.800 . 5.500 4.194 2.139 5.538 0.038 6 0 "[ . 1]" 1
92 1 49 GLN H 1 51 GLU H 1.800 . 5.500 5.321 3.164 5.907 0.407 6 0 "[ . 1]" 1
93 1 49 GLN QB 1 50 LEU H 1.800 . 6.000 3.557 2.287 3.927 . 0 0 "[ . 1]" 1
94 1 50 LEU H 1 51 GLU H 1.800 . 5.500 3.061 1.781 4.556 0.019 3 0 "[ . 1]" 1
95 1 50 LEU H 1 52 LYS HA 1.800 . 5.500 5.646 5.527 5.774 0.274 3 0 "[ . 1]" 1
96 1 50 LEU HA 1 51 GLU H 1.800 . 4.000 3.035 2.141 3.482 . 0 0 "[ . 1]" 1
97 1 50 LEU HA 1 52 LYS QZ 1.800 . 6.000 4.588 1.836 5.272 . 0 0 "[ . 1]" 1
98 1 50 LEU HA 1 53 PHE QD 1.800 . 6.000 5.360 4.559 5.644 . 0 0 "[ . 1]" 1
99 1 50 LEU HA 1 53 PHE HZ 1.800 . 4.000 4.249 4.026 4.538 0.538 1 1 "[+ . 1]" 1
100 1 50 LEU QB 1 51 GLU QG 1.800 . 6.500 3.387 2.624 4.747 . 0 0 "[ . 1]" 1
101 1 50 LEU QB 1 52 LYS QZ 1.800 . 5.000 3.218 2.044 3.654 . 0 0 "[ . 1]" 1
102 1 50 LEU QB 1 53 PHE QD 1.800 . 6.500 3.377 2.423 5.510 . 0 0 "[ . 1]" 1
103 1 50 LEU QB 1 53 PHE QE 1.800 . 6.500 2.374 1.662 4.300 0.138 1 0 "[ . 1]" 1
104 1 50 LEU QB 1 53 PHE HZ 1.800 . 6.000 3.075 1.640 4.911 0.160 1 0 "[ . 1]" 1
105 1 50 LEU MD1 1 53 PHE QD 1.800 . 5.000 2.962 2.081 3.784 . 0 0 "[ . 1]" 1
106 1 50 LEU MD1 1 53 PHE QE 1.800 . 5.000 2.425 1.808 3.203 . 0 0 "[ . 1]" 1
107 1 50 LEU MD1 1 54 GLN QB 1.800 . 6.500 4.655 4.403 4.844 . 0 0 "[ . 1]" 1
108 1 50 LEU MD2 1 51 GLU H 1.800 . 6.000 3.535 2.109 4.494 . 0 0 "[ . 1]" 1
109 1 50 LEU MD2 1 53 PHE QD 1.800 . 5.000 3.655 3.191 4.313 . 0 0 "[ . 1]" 1
110 1 50 LEU MD2 1 53 PHE QE 1.800 . 6.500 3.263 1.796 4.039 0.004 6 0 "[ . 1]" 1
111 1 50 LEU MD2 1 53 PHE HZ 1.800 . 6.000 3.609 1.527 4.708 0.273 5 0 "[ . 1]" 1
112 1 50 LEU MD2 1 57 LEU MD2 1.800 . 6.500 4.369 3.539 4.606 . 0 0 "[ . 1]" 1
113 1 50 LEU HG 1 51 GLU QG 1.800 . 6.000 5.363 5.067 5.589 . 0 0 "[ . 1]" 1
114 1 50 LEU HG 1 53 PHE QD 1.800 . 6.000 4.419 2.523 5.884 . 0 0 "[ . 1]" 1
115 1 50 LEU HG 1 53 PHE QE 1.800 . 4.500 3.450 2.368 4.389 . 0 0 "[ . 1]" 1
116 1 50 LEU HG 1 53 PHE HZ 1.800 . 5.500 3.537 2.232 4.545 . 0 0 "[ . 1]" 1
117 1 51 GLU H 1 53 PHE H 1.800 . 5.500 5.288 3.881 5.719 0.219 2 0 "[ . 1]" 1
118 1 51 GLU QG 1 52 LYS QB 1.800 . 6.500 4.282 2.700 5.259 . 0 0 "[ . 1]" 1
119 1 52 LYS QB 1 53 PHE HB3 1.800 . 6.000 4.893 3.355 5.593 . 0 0 "[ . 1]" 1
120 1 52 LYS QB 1 53 PHE QD 1.800 . 5.000 3.801 2.023 4.508 . 0 0 "[ . 1]" 1
121 1 52 LYS QB 1 53 PHE QE 1.800 . 5.000 4.118 2.769 4.790 . 0 0 "[ . 1]" 1
122 1 52 LYS QB 1 53 PHE HZ 1.800 . 6.000 5.249 4.738 5.580 . 0 0 "[ . 1]" 1
123 1 52 LYS QE 1 57 LEU MD1 1.800 . 6.500 4.589 3.757 4.938 . 0 0 "[ . 1]" 1
124 1 53 PHE H 1 55 SER H 1.800 . 5.500 4.801 2.314 5.695 0.195 1 0 "[ . 1]" 1
125 1 53 PHE HA 1 54 GLN HA 1.800 . 5.500 4.614 4.367 4.919 . 0 0 "[ . 1]" 1
126 1 53 PHE HB2 1 54 GLN H 1.800 . 4.000 2.216 1.655 3.302 0.145 7 0 "[ . 1]" 1
127 1 53 PHE HB2 1 54 GLN HA 1.800 . 5.500 4.102 3.777 4.365 . 0 0 "[ . 1]" 1
128 1 53 PHE HB3 1 54 GLN H 1.800 . 4.000 3.536 3.236 4.140 0.140 2 0 "[ . 1]" 1
129 1 53 PHE HB3 1 54 GLN HA 1.800 . 5.500 5.551 5.407 5.692 0.192 7 0 "[ . 1]" 1
130 1 53 PHE HB3 1 57 LEU MD1 1.800 . 6.000 4.374 3.475 4.862 . 0 0 "[ . 1]" 1
131 1 53 PHE QD 1 54 GLN H 1.800 . 4.500 1.813 1.621 2.093 0.179 3 0 "[ . 1]" 1
132 1 53 PHE QD 1 54 GLN HA 1.800 . 6.000 3.763 3.434 4.448 . 0 0 "[ . 1]" 1
133 1 53 PHE QD 1 54 GLN HE22 1.800 . 6.000 3.661 2.097 4.829 . 0 0 "[ . 1]" 1
134 1 53 PHE QD 1 56 ARG HG3 1.800 . 6.000 4.577 4.096 5.106 . 0 0 "[ . 1]" 1
135 1 53 PHE QD 1 57 LEU QB 1.800 . 6.500 4.700 3.380 5.406 . 0 0 "[ . 1]" 1
136 1 53 PHE QD 1 57 LEU MD1 1.800 . 3.700 2.315 1.756 2.788 0.044 4 0 "[ . 1]" 1
137 1 53 PHE QD 1 57 LEU MD2 1.800 . 5.000 3.124 2.326 3.767 . 0 0 "[ . 1]" 1
138 1 53 PHE QD 1 58 SER HB3 1.800 . 6.000 5.406 4.507 5.832 . 0 0 "[ . 1]" 1
139 1 53 PHE QD 1 61 GLU QG 1.800 . 6.500 4.895 3.898 5.198 . 0 0 "[ . 1]" 1
140 1 53 PHE QE 1 54 GLN H 1.800 . 6.000 3.780 3.265 4.183 . 0 0 "[ . 1]" 1
141 1 53 PHE QE 1 56 ARG HG3 1.800 . 6.000 4.018 3.388 4.856 . 0 0 "[ . 1]" 1
142 1 53 PHE QE 1 57 LEU H 1.800 . 6.000 3.945 2.764 4.714 . 0 0 "[ . 1]" 1
143 1 53 PHE QE 1 57 LEU QB 1.800 . 6.500 3.888 1.791 4.835 0.009 4 0 "[ . 1]" 1
144 1 53 PHE QE 1 57 LEU MD1 1.800 . 5.000 2.095 1.721 2.551 0.079 5 0 "[ . 1]" 1
145 1 53 PHE QE 1 57 LEU MD2 1.800 . 5.000 2.296 1.636 2.926 0.164 9 0 "[ . 1]" 1
146 1 53 PHE HZ 1 54 GLN HE22 1.800 . 5.500 5.099 3.495 5.850 0.350 6 0 "[ . 1]" 1
147 1 53 PHE HZ 1 57 LEU H 1.800 . 5.500 4.882 2.184 5.726 0.226 2 0 "[ . 1]" 1
148 1 53 PHE HZ 1 57 LEU QB 1.800 . 6.000 4.179 2.516 5.615 . 0 0 "[ . 1]" 1
149 1 53 PHE HZ 1 57 LEU MD1 1.800 . 4.500 3.144 2.412 3.640 . 0 0 "[ . 1]" 1
150 1 53 PHE HZ 1 57 LEU MD2 1.800 . 4.500 2.508 1.670 3.627 0.130 8 0 "[ . 1]" 1
151 1 54 GLN H 1 55 SER H 1.800 . 5.500 3.344 2.546 4.357 . 0 0 "[ . 1]" 1
152 1 54 GLN H 1 56 ARG H 1.800 . 5.500 4.517 3.929 5.223 . 0 0 "[ . 1]" 1
153 1 54 GLN QB 1 57 LEU MD1 1.800 . 5.000 2.501 1.721 3.626 0.079 5 0 "[ . 1]" 1
154 1 54 GLN QB 1 57 LEU MD2 1.800 . 6.500 4.154 3.202 4.802 . 0 0 "[ . 1]" 1
155 1 54 GLN HE21 1 57 LEU MD1 1.800 . 6.000 2.197 1.749 3.036 0.051 7 0 "[ . 1]" 1
156 1 54 GLN HE22 1 57 LEU MD1 1.800 . 4.500 2.724 1.669 3.501 0.131 6 0 "[ . 1]" 1
157 1 54 GLN QG 1 57 LEU MD1 1.800 . 5.000 3.236 1.691 4.024 0.109 9 0 "[ . 1]" 1
158 1 55 SER H 1 56 ARG H 1.800 . 5.500 2.301 1.781 3.100 0.019 7 0 "[ . 1]" 1
159 1 56 ARG H 1 57 LEU H 1.800 . 4.000 2.550 2.048 3.617 . 0 0 "[ . 1]" 1
160 1 56 ARG HA 1 57 LEU H 1.800 . 4.000 3.329 2.792 3.601 . 0 0 "[ . 1]" 1
161 1 56 ARG QB 1 57 LEU H 1.800 . 6.000 3.212 1.933 4.049 . 0 0 "[ . 1]" 1
162 1 56 ARG QD 1 57 LEU MD1 1.800 . 5.000 2.903 2.009 3.512 . 0 0 "[ . 1]" 1
163 1 56 ARG HG2 1 57 LEU H 1.800 . 5.500 4.050 3.349 5.555 0.055 7 0 "[ . 1]" 1
164 1 56 ARG HG3 1 57 LEU H 1.800 . 5.500 2.497 1.796 4.135 0.004 2 0 "[ . 1]" 1
165 1 57 LEU H 1 58 SER H 1.800 . 4.000 3.207 1.922 4.389 0.389 5 0 "[ . 1]" 1
166 1 57 LEU HA 1 58 SER H 1.800 . 4.000 3.372 2.724 3.572 . 0 0 "[ . 1]" 1
167 1 57 LEU QB 1 58 SER H 1.800 . 4.500 2.161 1.732 3.779 0.068 4 0 "[ . 1]" 1
168 1 57 LEU MD1 1 58 SER H 1.800 . 4.500 2.659 1.660 3.701 0.140 10 0 "[ . 1]" 1
169 1 57 LEU MD2 1 58 SER H 1.800 . 4.500 3.239 1.772 3.973 0.028 6 0 "[ . 1]" 1
170 1 57 LEU MD2 1 58 SER HB3 1.800 . 6.000 4.340 2.243 4.982 . 0 0 "[ . 1]" 1
171 1 58 SER H 1 59 PRO QD 1.800 . 6.000 3.790 1.855 4.276 . 0 0 "[ . 1]" 1
172 1 58 SER H 1 60 GLU H 1.800 . 5.500 5.565 5.517 5.613 0.113 9 0 "[ . 1]" 1
173 1 59 PRO HA 1 60 GLU H 1.800 . 2.700 2.180 2.159 2.248 . 0 0 "[ . 1]" 1
174 1 59 PRO HB2 1 60 GLU H 1.800 . 4.000 3.861 3.622 4.122 0.122 4 0 "[ . 1]" 1
175 1 59 PRO HB3 1 60 GLU H 1.800 . 4.000 4.188 4.030 4.355 0.355 4 0 "[ . 1]" 1
176 1 61 GLU H 1 62 PRO QG 1.800 . 6.000 4.003 3.633 5.231 . 0 0 "[ . 1]" 1
177 1 62 PRO HA 1 63 ALA H 1.800 . 2.700 2.416 2.184 2.734 0.034 3 0 "[ . 1]" 1
178 1 62 PRO HB2 1 63 ALA H 1.800 . 4.000 2.857 2.008 3.642 . 0 0 "[ . 1]" 1
179 1 62 PRO HB3 1 63 ALA H 1.800 . 4.000 3.624 3.212 4.065 0.065 2 0 "[ . 1]" 1
180 1 63 ALA H 1 64 PRO HD3 1.800 . 5.500 3.171 1.963 4.734 . 0 0 "[ . 1]" 1
181 1 63 ALA MB 1 64 PRO HD2 1.800 . 4.500 3.022 1.937 3.863 . 0 0 "[ . 1]" 1
182 1 63 ALA MB 1 64 PRO HD3 1.800 . 4.500 3.168 1.825 3.871 . 0 0 "[ . 1]" 1
183 1 64 PRO HA 1 65 GLU H 1.800 . 2.700 2.487 2.165 2.761 0.061 1 0 "[ . 1]" 1
184 1 64 PRO HB2 1 65 GLU H 1.800 . 5.500 2.750 1.957 3.712 . 0 0 "[ . 1]" 1
185 1 64 PRO HB3 1 65 GLU H 1.800 . 4.000 3.594 3.189 4.104 0.104 9 0 "[ . 1]" 1
186 1 64 PRO HD3 1 66 THR MG 1.800 . 4.500 3.749 3.635 3.867 . 0 0 "[ . 1]" 1
187 1 65 GLU H 1 66 THR H 1.800 . 4.000 3.419 2.727 4.042 0.042 1 0 "[ . 1]" 1
188 1 65 GLU HA 1 66 THR H 1.800 . 2.700 2.605 2.356 2.762 0.062 4 0 "[ . 1]" 1
189 1 65 GLU QG 1 66 THR H 1.800 . 4.500 3.883 3.510 4.087 . 0 0 "[ . 1]" 1
190 1 66 THR MG 1 67 PRO HD2 1.800 . 4.500 3.615 2.842 3.804 . 0 0 "[ . 1]" 1
191 1 67 PRO HA 1 68 GLU H 1.800 . 2.700 2.477 2.224 2.714 0.014 2 0 "[ . 1]" 1
192 1 67 PRO HB2 1 68 GLU H 1.800 . 4.000 2.746 2.104 3.521 . 0 0 "[ . 1]" 1
193 1 67 PRO HB3 1 68 GLU H 1.800 . 4.000 3.579 3.250 4.003 0.003 4 0 "[ . 1]" 1
194 1 68 GLU HA 1 69 ALA H 1.800 . 2.700 2.418 2.187 2.720 0.020 4 0 "[ . 1]" 1
195 1 70 PRO HA 1 71 GLU H 1.800 . 2.700 2.521 2.246 2.723 0.023 5 0 "[ . 1]" 1
196 1 70 PRO HD3 1 71 GLU H 1.800 . 5.500 5.460 5.177 5.540 0.040 4 0 "[ . 1]" 1
197 1 71 GLU HA 1 72 ALA H 1.800 . 4.000 2.739 2.418 3.503 . 0 0 "[ . 1]" 1
198 1 73 PRO HA 1 74 GLY H 1.800 . 2.700 2.374 2.252 2.623 . 0 0 "[ . 1]" 1
199 1 74 GLY H 1 75 GLY H 1.800 . 5.500 3.444 2.549 4.697 . 0 0 "[ . 1]" 1
200 1 74 GLY QA 1 75 GLY H 1.800 . 3.200 2.404 2.158 2.837 . 0 0 "[ . 1]" 1
201 1 75 GLY QA 1 76 SER H 1.800 . 3.200 2.553 2.169 2.915 . 0 0 "[ . 1]" 1
202 1 76 SER HA 1 77 ALA H 1.800 . 2.700 2.313 2.194 2.546 . 0 0 "[ . 1]" 1
203 1 76 SER QB 1 77 ALA H 1.800 . 6.000 3.436 2.480 4.051 . 0 0 "[ . 1]" 1
204 1 77 ALA HA 1 78 VAL H 1.800 . 4.000 2.880 2.234 3.588 . 0 0 "[ . 1]" 1
205 1 77 ALA MB 1 78 VAL H 1.800 . 6.000 2.882 2.143 3.692 . 0 0 "[ . 1]" 1
206 2 2 MET H 2 3 ASP H 1.800 . 5.500 3.987 3.107 4.667 . 0 0 "[ . 1]" 1
207 2 2 MET HA 2 3 ASP H 1.800 . 2.700 2.490 2.240 2.735 0.035 8 0 "[ . 1]" 1
208 2 2 MET HA 2 4 LEU H 1.800 . 5.500 3.826 3.009 4.573 . 0 0 "[ . 1]" 1
209 2 2 MET HA 2 5 VAL H 1.800 . 5.500 4.748 3.772 5.511 0.011 1 0 "[ . 1]" 1
210 2 2 MET QB 2 3 ASP H 1.800 . 4.500 3.304 1.921 3.929 . 0 0 "[ . 1]" 1
211 2 3 ASP H 2 4 LEU H 1.800 . 2.700 2.400 2.066 2.706 0.006 1 0 "[ . 1]" 1
212 2 3 ASP H 2 5 VAL H 1.800 . 5.500 3.777 2.455 4.331 . 0 0 "[ . 1]" 1
213 2 3 ASP HA 2 4 LEU H 1.800 . 4.000 3.104 2.678 3.591 . 0 0 "[ . 1]" 1
214 2 3 ASP HA 2 5 VAL H 1.800 . 5.500 4.328 3.371 5.400 . 0 0 "[ . 1]" 1
215 2 3 ASP HA 2 6 LYS QB 1.800 . 4.500 3.810 3.397 4.073 . 0 0 "[ . 1]" 1
216 2 3 ASP HB2 2 4 LEU H 1.800 . 5.500 4.007 2.885 4.532 . 0 0 "[ . 1]" 1
217 2 3 ASP HB3 2 4 LEU H 1.800 . 5.500 4.058 2.864 4.655 . 0 0 "[ . 1]" 1
218 2 4 LEU H 2 5 VAL H 1.800 . 2.700 2.204 1.827 2.703 0.003 3 0 "[ . 1]" 1
219 2 4 LEU HA 2 5 VAL H 1.800 . 4.000 3.513 3.414 3.582 . 0 0 "[ . 1]" 1
220 2 4 LEU HA 2 7 ASN H 1.800 . 4.000 4.037 4.007 4.101 0.101 10 0 "[ . 1]" 1
221 2 4 LEU HA 2 7 ASN QB 1.800 . 4.500 2.398 2.218 2.643 . 0 0 "[ . 1]" 1
222 2 4 LEU QB 2 5 VAL H 1.800 . 4.500 3.125 1.987 3.705 . 0 0 "[ . 1]" 1
223 2 4 LEU MD2 2 5 VAL H 1.800 . 4.500 3.234 2.115 3.591 . 0 0 "[ . 1]" 1
224 2 4 LEU HG 2 5 VAL H 1.800 . 4.000 3.012 1.873 4.099 0.099 9 0 "[ . 1]" 1
225 2 5 VAL H 2 6 LYS H 1.800 . 2.700 2.564 2.370 2.708 0.008 10 0 "[ . 1]" 1
226 2 5 VAL H 2 7 ASN H 1.800 . 5.500 4.419 4.249 4.644 . 0 0 "[ . 1]" 1
227 2 5 VAL HA 2 6 LYS H 1.800 . 4.000 3.505 3.466 3.559 . 0 0 "[ . 1]" 1
228 2 5 VAL HA 2 7 ASN H 1.800 . 5.500 3.683 3.429 4.027 . 0 0 "[ . 1]" 1
229 2 5 VAL HA 2 8 HIS H 1.800 . 5.500 4.216 4.046 4.490 . 0 0 "[ . 1]" 1
230 2 5 VAL HA 2 8 HIS QB 1.800 . 6.000 5.320 4.909 5.462 . 0 0 "[ . 1]" 1
231 2 5 VAL HB 2 6 LYS H 1.800 . 4.000 3.959 3.628 4.054 0.054 9 0 "[ . 1]" 1
232 2 5 VAL HB 2 8 HIS HD2 1.800 . 5.500 5.341 4.707 5.565 0.065 9 0 "[ . 1]" 1
233 2 5 VAL MG1 2 6 LYS H 1.800 . 4.500 3.234 2.007 3.757 . 0 0 "[ . 1]" 1
234 2 5 VAL MG2 2 6 LYS H 1.800 . 4.500 2.517 1.802 3.736 . 0 0 "[ . 1]" 1
235 2 6 LYS H 2 8 HIS H 1.800 . 5.500 4.793 4.560 5.046 . 0 0 "[ . 1]" 1
236 2 6 LYS HA 2 7 ASN H 1.800 . 4.000 2.884 2.698 3.031 . 0 0 "[ . 1]" 1
237 2 6 LYS HA 2 8 HIS H 1.800 . 5.500 4.815 4.565 4.969 . 0 0 "[ . 1]" 1
238 2 6 LYS QB 2 7 ASN H 1.800 . 4.500 3.828 3.715 3.994 . 0 0 "[ . 1]" 1
239 2 7 ASN H 2 8 HIS H 1.800 . 4.000 2.136 1.918 2.321 . 0 0 "[ . 1]" 1
240 2 7 ASN H 2 9 LEU H 1.800 . 5.500 3.124 2.754 3.671 . 0 0 "[ . 1]" 1
241 2 7 ASN HA 2 8 HIS H 1.800 . 4.000 3.560 3.545 3.576 . 0 0 "[ . 1]" 1
242 2 7 ASN HA 2 10 MET H 1.800 . 5.500 5.634 5.517 5.734 0.234 5 0 "[ . 1]" 1
243 2 7 ASN QB 2 8 HIS H 1.800 . 4.500 2.390 2.166 2.592 . 0 0 "[ . 1]" 1
244 2 7 ASN QB 2 8 HIS HD2 1.800 . 4.500 4.212 4.125 4.308 . 0 0 "[ . 1]" 1
245 2 8 HIS H 2 9 LEU H 1.800 . 4.000 2.794 2.409 3.300 . 0 0 "[ . 1]" 1
246 2 8 HIS HA 2 9 LEU H 1.800 . 4.000 3.187 2.802 3.546 . 0 0 "[ . 1]" 1
247 2 8 HIS HA 2 11 TYR H 1.800 . 5.500 3.835 3.451 4.684 . 0 0 "[ . 1]" 1
248 2 8 HIS HA 2 11 TYR QB 1.800 . 4.500 3.609 3.415 3.735 . 0 0 "[ . 1]" 1
249 2 8 HIS HA 2 11 TYR QD 1.800 . 6.000 4.307 3.855 4.763 . 0 0 "[ . 1]" 1
250 2 8 HIS HA 2 12 ALA H 1.800 . 5.500 5.670 5.479 5.826 0.326 6 0 "[ . 1]" 1
251 2 8 HIS QB 2 9 LEU H 1.800 . 4.500 3.836 3.286 4.085 . 0 0 "[ . 1]" 1
252 2 8 HIS HD2 2 9 LEU HA 1.800 . 5.500 3.234 3.009 3.705 . 0 0 "[ . 1]" 1
253 2 8 HIS HD2 2 9 LEU HG 1.800 . 4.000 3.858 3.371 4.191 0.191 10 0 "[ . 1]" 1
254 2 8 HIS HD2 2 11 TYR QB 1.800 . 6.000 5.021 4.510 5.355 . 0 0 "[ . 1]" 1
255 2 8 HIS HD2 2 12 ALA MB 1.800 . 6.000 4.944 4.832 5.051 . 0 0 "[ . 1]" 1
256 2 8 HIS HD2 2 13 VAL HA 1.800 . 5.500 5.354 5.048 5.541 0.041 3 0 "[ . 1]" 1
257 2 9 LEU H 2 11 TYR H 1.800 . 5.500 4.367 3.891 4.823 . 0 0 "[ . 1]" 1
258 2 9 LEU HA 2 10 MET H 1.800 . 4.000 3.498 3.364 3.612 . 0 0 "[ . 1]" 1
259 2 9 LEU HA 2 12 ALA H 1.800 . 4.000 3.199 2.783 3.560 . 0 0 "[ . 1]" 1
260 2 9 LEU HA 2 12 ALA MB 1.800 . 4.500 3.741 3.596 3.882 . 0 0 "[ . 1]" 1
261 2 9 LEU QB 2 10 MET H 1.800 . 6.000 3.160 2.213 3.529 . 0 0 "[ . 1]" 1
262 2 9 LEU MD1 2 10 MET H 1.800 . 4.500 2.925 1.669 3.864 0.131 8 0 "[ . 1]" 1
263 2 9 LEU MD1 2 11 TYR QD 1.800 . 6.500 3.870 3.331 4.123 . 0 0 "[ . 1]" 1
264 2 9 LEU MD1 2 11 TYR QE 1.800 . 6.500 4.015 3.406 4.459 . 0 0 "[ . 1]" 1
265 2 9 LEU HG 2 10 MET H 1.800 . 5.500 4.665 3.884 5.277 . 0 0 "[ . 1]" 1
266 2 10 MET HA 2 11 TYR H 1.800 . 4.000 3.329 2.861 3.539 . 0 0 "[ . 1]" 1
267 2 10 MET HA 2 13 VAL H 1.800 . 4.000 4.185 4.053 4.270 0.270 8 0 "[ . 1]" 1
268 2 10 MET HA 2 13 VAL HB 1.800 . 4.000 4.045 3.835 4.212 0.212 4 0 "[ . 1]" 1
269 2 11 TYR H 2 12 ALA H 1.800 . 4.000 2.430 1.792 2.994 0.008 10 0 "[ . 1]" 1
270 2 11 TYR HA 2 12 ALA H 1.800 . 4.000 3.418 3.319 3.485 . 0 0 "[ . 1]" 1
271 2 11 TYR HA 2 13 VAL H 1.800 . 5.500 5.103 4.722 5.418 . 0 0 "[ . 1]" 1
272 2 11 TYR QB 2 12 ALA H 1.800 . 4.500 3.515 3.072 3.748 . 0 0 "[ . 1]" 1
273 2 11 TYR QD 2 12 ALA H 1.800 . 6.000 1.792 1.535 2.054 0.265 4 0 "[ . 1]" 1
274 2 11 TYR QD 2 12 ALA HA 1.800 . 6.000 4.067 3.790 4.356 . 0 0 "[ . 1]" 1
275 2 11 TYR QD 2 12 ALA MB 1.800 . 5.000 2.652 2.239 2.828 . 0 0 "[ . 1]" 1
276 2 11 TYR QD 2 13 VAL HA 1.800 . 6.000 4.251 4.080 4.581 . 0 0 "[ . 1]" 1
277 2 11 TYR QD 2 14 ARG QB 1.800 . 6.500 4.680 4.315 4.987 . 0 0 "[ . 1]" 1
278 2 11 TYR QD 2 14 ARG QD 1.800 . 6.500 4.736 4.180 5.416 . 0 0 "[ . 1]" 1
279 2 11 TYR QE 2 12 ALA HA 1.800 . 6.000 4.741 4.613 4.903 . 0 0 "[ . 1]" 1
280 2 11 TYR QE 2 12 ALA MB 1.800 . 6.500 2.269 1.812 2.641 . 0 0 "[ . 1]" 1
281 2 11 TYR QE 2 14 ARG QD 1.800 . 6.500 3.031 2.120 3.723 . 0 0 "[ . 1]" 1
282 2 11 TYR QE 2 14 ARG HG2 1.800 . 6.000 4.888 2.897 5.524 . 0 0 "[ . 1]" 1
283 2 11 TYR QE 2 14 ARG HG3 1.800 . 6.000 4.577 3.800 5.452 . 0 0 "[ . 1]" 1
284 2 12 ALA H 2 13 VAL H 1.800 . 4.000 1.924 1.690 2.968 0.110 10 0 "[ . 1]" 1
285 2 12 ALA MB 2 13 VAL H 1.800 . 4.500 2.696 2.276 3.696 . 0 0 "[ . 1]" 1
286 2 13 VAL H 2 14 ARG H 1.800 . 5.500 2.753 2.193 4.178 . 0 0 "[ . 1]" 1
287 2 13 VAL QG 2 14 ARG H 1.800 . 4.500 3.126 1.935 3.489 . 0 0 "[ . 1]" 1
288 2 14 ARG H 2 16 GLU H 1.800 . 5.500 5.230 4.693 5.580 0.080 2 0 "[ . 1]" 1
289 2 14 ARG HA 2 15 GLU H 1.800 . 4.000 2.662 2.189 3.496 . 0 0 "[ . 1]" 1
290 2 48 GLU HA 2 49 GLN H 1.800 . 5.500 2.663 2.248 3.581 . 0 0 "[ . 1]" 1
291 2 48 GLU HA 2 50 LEU H 1.800 . 5.500 4.497 3.469 5.606 0.106 3 0 "[ . 1]" 1
292 2 48 GLU QB 2 49 GLN H 1.800 . 6.000 2.905 1.791 3.921 0.009 6 0 "[ . 1]" 1
293 2 49 GLN H 2 50 LEU HA 1.800 . 5.500 4.378 3.740 4.978 . 0 0 "[ . 1]" 1
294 2 49 GLN H 2 50 LEU MD1 1.800 . 6.000 4.431 1.776 5.360 0.024 5 0 "[ . 1]" 1
295 2 49 GLN H 2 50 LEU MD2 1.800 . 6.000 4.384 3.663 5.124 . 0 0 "[ . 1]" 1
296 2 49 GLN H 2 50 LEU HG 1.800 . 5.500 4.483 2.519 5.684 0.184 1 0 "[ . 1]" 1
297 2 49 GLN H 2 51 GLU H 1.800 . 5.500 4.703 2.947 5.770 0.270 6 0 "[ . 1]" 1
298 2 49 GLN QB 2 50 LEU H 1.800 . 6.000 3.792 3.123 3.960 . 0 0 "[ . 1]" 1
299 2 50 LEU H 2 51 GLU H 1.800 . 5.500 2.916 1.764 4.282 0.036 7 0 "[ . 1]" 1
300 2 50 LEU H 2 52 LYS HA 1.800 . 5.500 5.605 5.490 5.791 0.291 3 0 "[ . 1]" 1
301 2 50 LEU HA 2 51 GLU H 1.800 . 4.000 3.126 2.210 3.597 . 0 0 "[ . 1]" 1
302 2 50 LEU HA 2 52 LYS QZ 1.800 . 6.000 3.472 1.957 4.956 . 0 0 "[ . 1]" 1
303 2 50 LEU HA 2 53 PHE QD 1.800 . 6.000 4.808 3.681 6.187 0.187 5 0 "[ . 1]" 1
304 2 50 LEU HA 2 53 PHE HZ 1.800 . 4.000 3.607 2.304 4.504 0.504 2 1 "[ + . 1]" 1
305 2 50 LEU QB 2 51 GLU QG 1.800 . 6.500 3.521 2.596 5.124 . 0 0 "[ . 1]" 1
306 2 50 LEU QB 2 52 LYS QZ 1.800 . 5.000 3.256 1.909 3.841 . 0 0 "[ . 1]" 1
307 2 50 LEU QB 2 53 PHE QD 1.800 . 6.500 4.459 3.054 5.392 . 0 0 "[ . 1]" 1
308 2 50 LEU QB 2 53 PHE QE 1.800 . 6.500 3.115 1.756 4.348 0.044 6 0 "[ . 1]" 1
309 2 50 LEU QB 2 53 PHE HZ 1.800 . 6.000 3.092 1.608 5.355 0.192 2 0 "[ . 1]" 1
310 2 50 LEU MD1 2 53 PHE QD 1.800 . 5.000 3.104 2.154 3.910 . 0 0 "[ . 1]" 1
311 2 50 LEU MD1 2 53 PHE QE 1.800 . 5.000 1.983 1.719 2.515 0.081 1 0 "[ . 1]" 1
312 2 50 LEU MD1 2 54 GLN QB 1.800 . 6.500 4.662 4.220 4.943 . 0 0 "[ . 1]" 1
313 2 50 LEU MD2 2 51 GLU H 1.800 . 6.000 4.079 2.706 4.741 . 0 0 "[ . 1]" 1
314 2 50 LEU MD2 2 53 PHE QD 1.800 . 5.000 3.327 1.861 3.879 . 0 0 "[ . 1]" 1
315 2 50 LEU MD2 2 53 PHE QE 1.800 . 6.500 2.394 1.734 3.438 0.066 8 0 "[ . 1]" 1
316 2 50 LEU MD2 2 53 PHE HZ 1.800 . 6.000 3.045 1.771 5.023 0.029 10 0 "[ . 1]" 1
317 2 50 LEU MD2 2 57 LEU MD2 1.800 . 6.500 4.101 3.568 4.597 . 0 0 "[ . 1]" 1
318 2 50 LEU HG 2 51 GLU QG 1.800 . 6.000 5.150 4.088 5.532 . 0 0 "[ . 1]" 1
319 2 50 LEU HG 2 53 PHE QD 1.800 . 6.000 4.977 2.312 6.149 0.149 3 0 "[ . 1]" 1
320 2 50 LEU HG 2 53 PHE QE 1.800 . 4.500 3.525 1.691 4.439 0.109 4 0 "[ . 1]" 1
321 2 50 LEU HG 2 53 PHE HZ 1.800 . 5.500 3.887 2.418 4.456 . 0 0 "[ . 1]" 1
322 2 51 GLU H 2 53 PHE H 1.800 . 5.500 5.205 4.595 5.668 0.168 5 0 "[ . 1]" 1
323 2 51 GLU QG 2 52 LYS QB 1.800 . 6.500 4.677 2.658 5.222 . 0 0 "[ . 1]" 1
324 2 52 LYS QB 2 53 PHE HB3 1.800 . 6.000 4.238 3.495 5.361 . 0 0 "[ . 1]" 1
325 2 52 LYS QB 2 53 PHE QD 1.800 . 5.000 3.608 2.466 4.553 . 0 0 "[ . 1]" 1
326 2 52 LYS QB 2 53 PHE QE 1.800 . 5.000 4.076 2.813 4.697 . 0 0 "[ . 1]" 1
327 2 52 LYS QB 2 53 PHE HZ 1.800 . 6.000 5.205 4.837 5.553 . 0 0 "[ . 1]" 1
328 2 52 LYS QE 2 57 LEU MD1 1.800 . 6.500 4.726 4.450 5.114 . 0 0 "[ . 1]" 1
329 2 53 PHE H 2 55 SER H 1.800 . 5.500 4.677 2.417 5.682 0.182 3 0 "[ . 1]" 1
330 2 53 PHE HA 2 54 GLN HA 1.800 . 5.500 4.563 4.387 4.806 . 0 0 "[ . 1]" 1
331 2 53 PHE HB2 2 54 GLN H 1.800 . 4.000 2.053 1.648 3.223 0.152 1 0 "[ . 1]" 1
332 2 53 PHE HB2 2 54 GLN HA 1.800 . 5.500 4.141 3.933 4.351 . 0 0 "[ . 1]" 1
333 2 53 PHE HB3 2 54 GLN H 1.800 . 4.000 3.424 3.226 4.157 0.157 5 0 "[ . 1]" 1
334 2 53 PHE HB3 2 54 GLN HA 1.800 . 5.500 5.581 5.502 5.688 0.188 1 0 "[ . 1]" 1
335 2 53 PHE HB3 2 57 LEU MD1 1.800 . 6.000 4.431 3.894 4.737 . 0 0 "[ . 1]" 1
336 2 53 PHE QD 2 54 GLN H 1.800 . 4.500 2.193 1.643 3.214 0.157 6 0 "[ . 1]" 1
337 2 53 PHE QD 2 54 GLN HA 1.800 . 6.000 3.874 3.457 4.600 . 0 0 "[ . 1]" 1
338 2 53 PHE QD 2 54 GLN HE22 1.800 . 6.000 3.631 2.974 4.676 . 0 0 "[ . 1]" 1
339 2 53 PHE QD 2 56 ARG HG3 1.800 . 6.000 4.591 4.127 5.227 . 0 0 "[ . 1]" 1
340 2 53 PHE QD 2 57 LEU QB 1.800 . 6.500 5.089 4.577 5.323 . 0 0 "[ . 1]" 1
341 2 53 PHE QD 2 57 LEU MD1 1.800 . 3.700 2.394 1.976 2.964 . 0 0 "[ . 1]" 1
342 2 53 PHE QD 2 57 LEU MD2 1.800 . 5.000 3.239 2.431 3.685 . 0 0 "[ . 1]" 1
343 2 53 PHE QD 2 58 SER HB3 1.800 . 6.000 5.053 3.259 5.910 . 0 0 "[ . 1]" 1
344 2 53 PHE QD 2 61 GLU QG 1.800 . 6.500 4.564 3.513 5.255 . 0 0 "[ . 1]" 1
345 2 53 PHE QE 2 54 GLN H 1.800 . 6.000 4.119 3.383 5.434 . 0 0 "[ . 1]" 1
346 2 53 PHE QE 2 56 ARG HG3 1.800 . 6.000 4.423 3.642 5.109 . 0 0 "[ . 1]" 1
347 2 53 PHE QE 2 57 LEU H 1.800 . 6.000 3.687 2.288 5.240 . 0 0 "[ . 1]" 1
348 2 53 PHE QE 2 57 LEU QB 1.800 . 6.500 4.162 3.191 4.723 . 0 0 "[ . 1]" 1
349 2 53 PHE QE 2 57 LEU MD1 1.800 . 5.000 2.098 1.603 3.149 0.197 8 0 "[ . 1]" 1
350 2 53 PHE QE 2 57 LEU MD2 1.800 . 5.000 2.341 1.728 3.175 0.072 5 0 "[ . 1]" 1
351 2 53 PHE HZ 2 54 GLN HE22 1.800 . 5.500 4.995 2.631 5.700 0.200 6 0 "[ . 1]" 1
352 2 53 PHE HZ 2 57 LEU H 1.800 . 5.500 4.731 2.629 5.926 0.426 8 0 "[ . 1]" 1
353 2 53 PHE HZ 2 57 LEU QB 1.800 . 6.000 4.450 3.628 5.235 . 0 0 "[ . 1]" 1
354 2 53 PHE HZ 2 57 LEU MD1 1.800 . 4.500 2.942 2.239 3.624 . 0 0 "[ . 1]" 1
355 2 53 PHE HZ 2 57 LEU MD2 1.800 . 4.500 2.717 1.735 3.731 0.065 5 0 "[ . 1]" 1
356 2 54 GLN H 2 55 SER H 1.800 . 5.500 3.402 2.216 4.510 . 0 0 "[ . 1]" 1
357 2 54 GLN H 2 56 ARG H 1.800 . 5.500 4.800 3.578 5.557 0.057 1 0 "[ . 1]" 1
358 2 54 GLN QB 2 57 LEU MD1 1.800 . 5.000 2.752 1.793 3.785 0.007 8 0 "[ . 1]" 1
359 2 54 GLN QB 2 57 LEU MD2 1.800 . 6.500 3.866 1.680 4.874 0.120 1 0 "[ . 1]" 1
360 2 54 GLN HE21 2 57 LEU MD1 1.800 . 6.000 2.514 1.653 3.746 0.147 6 0 "[ . 1]" 1
361 2 54 GLN HE22 2 57 LEU MD1 1.800 . 4.500 2.825 1.695 3.580 0.105 1 0 "[ . 1]" 1
362 2 54 GLN QG 2 57 LEU MD1 1.800 . 5.000 3.184 1.670 3.691 0.130 6 0 "[ . 1]" 1
363 2 55 SER H 2 56 ARG H 1.800 . 5.500 2.791 1.860 4.177 . 0 0 "[ . 1]" 1
364 2 56 ARG H 2 57 LEU H 1.800 . 4.000 2.390 1.802 3.624 . 0 0 "[ . 1]" 1
365 2 56 ARG HA 2 57 LEU H 1.800 . 4.000 3.270 2.812 3.635 . 0 0 "[ . 1]" 1
366 2 56 ARG QB 2 57 LEU H 1.800 . 6.000 3.414 1.935 4.043 . 0 0 "[ . 1]" 1
367 2 56 ARG QD 2 57 LEU MD1 1.800 . 5.000 3.227 2.737 3.608 . 0 0 "[ . 1]" 1
368 2 56 ARG HG2 2 57 LEU H 1.800 . 5.500 4.259 3.302 5.273 . 0 0 "[ . 1]" 1
369 2 56 ARG HG3 2 57 LEU H 1.800 . 5.500 2.731 1.800 3.814 . 0 0 "[ . 1]" 1
370 2 57 LEU H 2 58 SER H 1.800 . 4.000 3.713 2.600 4.368 0.368 7 0 "[ . 1]" 1
371 2 57 LEU HA 2 58 SER H 1.800 . 4.000 3.082 2.556 3.612 . 0 0 "[ . 1]" 1
372 2 57 LEU QB 2 58 SER H 1.800 . 4.500 2.101 1.706 3.256 0.094 8 0 "[ . 1]" 1
373 2 57 LEU MD1 2 58 SER H 1.800 . 4.500 2.872 1.728 3.745 0.072 5 0 "[ . 1]" 1
374 2 57 LEU MD2 2 58 SER H 1.800 . 4.500 2.971 1.762 4.024 0.038 6 0 "[ . 1]" 1
375 2 57 LEU MD2 2 58 SER HB3 1.800 . 6.000 4.417 3.687 5.149 . 0 0 "[ . 1]" 1
376 2 58 SER H 2 59 PRO QD 1.800 . 6.000 2.853 1.808 4.294 . 0 0 "[ . 1]" 1
377 2 58 SER H 2 60 GLU H 1.800 . 5.500 5.576 5.270 5.695 0.195 3 0 "[ . 1]" 1
378 2 59 PRO HA 2 60 GLU H 1.800 . 2.700 2.264 2.134 2.800 0.100 9 0 "[ . 1]" 1
379 2 59 PRO HB2 2 60 GLU H 1.800 . 4.000 3.622 1.840 4.183 0.183 8 0 "[ . 1]" 1
380 2 59 PRO HB3 2 60 GLU H 1.800 . 4.000 4.073 3.148 4.441 0.441 8 0 "[ . 1]" 1
381 2 61 GLU H 2 62 PRO QG 1.800 . 6.000 4.901 4.196 5.386 . 0 0 "[ . 1]" 1
382 2 62 PRO HA 2 63 ALA H 1.800 . 2.700 2.505 2.243 2.728 0.028 9 0 "[ . 1]" 1
383 2 62 PRO HB2 2 63 ALA H 1.800 . 4.000 2.662 2.045 3.502 . 0 0 "[ . 1]" 1
384 2 62 PRO HB3 2 63 ALA H 1.800 . 4.000 3.532 3.204 4.007 0.007 8 0 "[ . 1]" 1
385 2 63 ALA H 2 64 PRO HD3 1.800 . 5.500 3.678 2.138 4.816 . 0 0 "[ . 1]" 1
386 2 63 ALA MB 2 64 PRO HD2 1.800 . 4.500 2.978 1.813 3.859 . 0 0 "[ . 1]" 1
387 2 63 ALA MB 2 64 PRO HD3 1.800 . 4.500 3.468 2.544 3.875 . 0 0 "[ . 1]" 1
388 2 64 PRO HA 2 65 GLU H 1.800 . 2.700 2.489 2.153 2.770 0.070 1 0 "[ . 1]" 1
389 2 64 PRO HB2 2 65 GLU H 1.800 . 5.500 2.740 1.906 3.740 . 0 0 "[ . 1]" 1
390 2 64 PRO HB3 2 65 GLU H 1.800 . 4.000 3.585 3.146 4.106 0.106 7 0 "[ . 1]" 1
391 2 64 PRO HD3 2 66 THR MG 1.800 . 4.500 3.766 3.660 3.890 . 0 0 "[ . 1]" 1
392 2 65 GLU H 2 66 THR H 1.800 . 4.000 3.633 3.153 4.078 0.078 1 0 "[ . 1]" 1
393 2 65 GLU HA 2 66 THR H 1.800 . 2.700 2.511 2.342 2.722 0.022 8 0 "[ . 1]" 1
394 2 65 GLU QG 2 66 THR H 1.800 . 4.500 3.868 3.559 4.093 . 0 0 "[ . 1]" 1
395 2 66 THR MG 2 67 PRO HD2 1.800 . 4.500 3.653 3.429 3.836 . 0 0 "[ . 1]" 1
396 2 67 PRO HA 2 68 GLU H 1.800 . 2.700 2.446 2.222 2.738 0.038 8 0 "[ . 1]" 1
397 2 67 PRO HB2 2 68 GLU H 1.800 . 4.000 2.824 2.004 3.493 . 0 0 "[ . 1]" 1
398 2 67 PRO HB3 2 68 GLU H 1.800 . 4.000 3.615 3.197 3.984 . 0 0 "[ . 1]" 1
399 2 68 GLU HA 2 69 ALA H 1.800 . 2.700 2.466 2.190 2.740 0.040 3 0 "[ . 1]" 1
400 2 70 PRO HA 2 71 GLU H 1.800 . 2.700 2.436 2.254 2.733 0.033 7 0 "[ . 1]" 1
401 2 70 PRO HD3 2 71 GLU H 1.800 . 5.500 5.431 5.240 5.558 0.058 4 0 "[ . 1]" 1
402 2 71 GLU HA 2 72 ALA H 1.800 . 4.000 2.790 2.191 3.591 . 0 0 "[ . 1]" 1
403 2 73 PRO HA 2 74 GLY H 1.800 . 2.700 2.407 2.222 2.693 . 0 0 "[ . 1]" 1
404 2 74 GLY H 2 75 GLY H 1.800 . 5.500 3.597 2.334 4.418 . 0 0 "[ . 1]" 1
405 2 74 GLY QA 2 75 GLY H 1.800 . 3.200 2.407 2.158 2.926 . 0 0 "[ . 1]" 1
406 2 75 GLY QA 2 76 SER H 1.800 . 3.200 2.404 2.191 2.860 . 0 0 "[ . 1]" 1
407 2 76 SER HA 2 77 ALA H 1.800 . 2.700 2.408 2.231 2.696 . 0 0 "[ . 1]" 1
408 2 76 SER QB 2 77 ALA H 1.800 . 6.000 3.402 2.446 3.994 . 0 0 "[ . 1]" 1
409 2 77 ALA HA 2 78 VAL H 1.800 . 4.000 2.637 2.225 3.397 . 0 0 "[ . 1]" 1
410 2 77 ALA MB 2 78 VAL H 1.800 . 6.000 3.004 1.807 3.724 . 0 0 "[ . 1]" 1
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