NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
465580 |
2kq6   |
16590 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kq6
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 515
_Distance_constraint_stats_list.Viol_count 1324
_Distance_constraint_stats_list.Viol_total 3688.983
_Distance_constraint_stats_list.Viol_max 0.438
_Distance_constraint_stats_list.Viol_rms 0.0578
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0179
_Distance_constraint_stats_list.Viol_average_violations_only 0.1393
_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 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 3.380 0.305 3 0 "[ . 1 . 2]"
1 15 GLY 0.073 0.071 14 0 "[ . 1 . 2]"
1 16 LYS 4.010 0.305 7 0 "[ . 1 . 2]"
1 17 LEU 13.454 0.403 10 0 "[ . 1 . 2]"
1 18 ASN 3.593 0.228 15 0 "[ . 1 . 2]"
1 19 PHE 7.158 0.356 9 0 "[ . 1 . 2]"
1 20 ASP 7.255 0.403 10 0 "[ . 1 . 2]"
1 21 GLU 8.740 0.356 9 0 "[ . 1 . 2]"
1 22 LEU 9.203 0.438 16 0 "[ . 1 . 2]"
1 23 ARG 12.430 0.438 16 0 "[ . 1 . 2]"
1 24 GLN 12.433 0.382 5 0 "[ . 1 . 2]"
1 25 ASP 4.105 0.241 6 0 "[ . 1 . 2]"
1 26 LEU 9.373 0.382 5 0 "[ . 1 . 2]"
1 27 LYS 11.208 0.323 6 0 "[ . 1 . 2]"
1 28 GLY 0.206 0.191 7 0 "[ . 1 . 2]"
1 29 LYS 0.671 0.191 7 0 "[ . 1 . 2]"
1 30 GLY 4.134 0.253 17 0 "[ . 1 . 2]"
1 31 HIS 4.236 0.253 17 0 "[ . 1 . 2]"
1 32 THR 9.746 0.364 18 0 "[ . 1 . 2]"
1 33 ASP 1.622 0.112 16 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 9.406 0.347 1 0 "[ . 1 . 2]"
1 36 ILE 12.295 0.364 18 0 "[ . 1 . 2]"
1 37 GLU 13.861 0.352 8 0 "[ . 1 . 2]"
1 38 ALA 0.781 0.105 17 0 "[ . 1 . 2]"
1 39 ILE 16.946 0.352 8 0 "[ . 1 . 2]"
1 40 PHE 12.804 0.299 17 0 "[ . 1 . 2]"
1 41 THR 16.071 0.299 17 0 "[ . 1 . 2]"
1 42 LYS 3.401 0.173 14 0 "[ . 1 . 2]"
1 43 TYR 6.582 0.321 8 0 "[ . 1 . 2]"
1 44 ASP 2.010 0.266 15 0 "[ . 1 . 2]"
1 45 GLN 0.706 0.086 6 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.464 0.132 18 0 "[ . 1 . 2]"
1 48 ASP 0.149 0.090 9 0 "[ . 1 . 2]"
1 49 GLN 0.613 0.132 18 0 "[ . 1 . 2]"
1 50 GLU 1.981 0.196 13 0 "[ . 1 . 2]"
1 51 LEU 1.583 0.224 7 0 "[ . 1 . 2]"
1 52 THR 10.078 0.392 11 0 "[ . 1 . 2]"
1 53 GLU 4.461 0.216 9 0 "[ . 1 . 2]"
1 54 HIS 5.832 0.242 7 0 "[ . 1 . 2]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLN 23.007 0.392 11 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 MET 12.216 0.385 2 0 "[ . 1 . 2]"
1 60 ARG 25.177 0.385 2 0 "[ . 1 . 2]"
1 61 ASP 2.017 0.207 20 0 "[ . 1 . 2]"
1 62 ASP 7.783 0.346 5 0 "[ . 1 . 2]"
1 63 LEU 4.929 0.346 5 0 "[ . 1 . 2]"
1 64 GLU 6.022 0.322 9 0 "[ . 1 . 2]"
1 65 LYS 2.729 0.286 2 0 "[ . 1 . 2]"
1 66 GLU 0.328 0.091 12 0 "[ . 1 . 2]"
1 67 ARG 1.649 0.422 19 0 "[ . 1 . 2]"
1 68 GLU 1.288 0.268 15 0 "[ . 1 . 2]"
1 69 ASP 0.060 0.037 6 0 "[ . 1 . 2]"
1 70 LEU 2.380 0.268 15 0 "[ . 1 . 2]"
1 71 ASP 2.058 0.089 17 0 "[ . 1 . 2]"
1 72 LEU 0.838 0.072 20 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 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 THR MG 1 3 VAL H 1.800 . 5.500 3.512 2.477 4.218 . 0 0 "[ . 1 . 2]" 1
2 1 3 VAL HB 1 4 ASP H 1.800 . 5.360 3.486 2.374 4.534 . 0 0 "[ . 1 . 2]" 1
3 1 3 VAL QG 1 4 ASP H 1.800 . 5.440 2.888 2.113 3.510 . 0 0 "[ . 1 . 2]" 1
4 1 5 ASP QB 1 6 ILE H 1.800 . 4.450 3.513 2.585 4.095 . 0 0 "[ . 1 . 2]" 1
5 1 6 ILE H 1 6 ILE HB 1.800 . 4.160 3.187 2.541 3.841 . 0 0 "[ . 1 . 2]" 1
6 1 6 ILE H 1 6 ILE MD 1.800 . 4.960 3.888 3.464 4.813 . 0 0 "[ . 1 . 2]" 1
7 1 6 ILE H 1 6 ILE QG 1.800 . 4.480 2.617 1.920 4.157 . 0 0 "[ . 1 . 2]" 1
8 1 6 ILE H 1 6 ILE MG 1.800 . 5.220 2.442 1.905 3.858 . 0 0 "[ . 1 . 2]" 1
9 1 10 LEU H 1 10 LEU QD 1.800 . 5.500 2.469 1.860 3.014 . 0 0 "[ . 1 . 2]" 1
10 1 10 LEU H 1 39 ILE QG 1.800 . 5.500 5.669 5.499 5.805 0.305 3 0 "[ . 1 . 2]" 1
11 1 15 GLY QA 1 16 LYS H 1.800 . 3.560 2.508 2.374 2.831 . 0 0 "[ . 1 . 2]" 1
12 1 15 GLY QA 1 17 LEU H 1.800 . 5.500 5.127 4.846 5.571 0.071 14 0 "[ . 1 . 2]" 1
13 1 16 LYS H 1 16 LYS QB 1.800 . 3.880 2.465 2.249 2.594 . 0 0 "[ . 1 . 2]" 1
14 1 16 LYS H 1 16 LYS QG 1.800 . 4.630 2.550 2.160 4.137 . 0 0 "[ . 1 . 2]" 1
15 1 16 LYS H 1 17 LEU H 1.800 . 5.270 4.378 4.295 4.564 . 0 0 "[ . 1 . 2]" 1
16 1 16 LYS H 1 17 LEU QD 1.800 . 5.500 4.899 3.435 5.457 . 0 0 "[ . 1 . 2]" 1
17 1 16 LYS HA 1 17 LEU H 1.800 . 3.190 2.149 2.078 2.220 . 0 0 "[ . 1 . 2]" 1
18 1 16 LYS QB 1 17 LEU H 1.800 . 3.610 3.444 3.213 3.707 0.097 14 0 "[ . 1 . 2]" 1
19 1 16 LYS QB 1 18 ASN H 1.800 . 5.500 5.446 4.723 5.728 0.228 15 0 "[ . 1 . 2]" 1
20 1 16 LYS QE 1 17 LEU H 1.800 . 5.500 5.565 4.966 5.805 0.305 7 0 "[ . 1 . 2]" 1
21 1 16 LYS QG 1 17 LEU H 1.800 . 5.160 4.294 2.706 4.746 . 0 0 "[ . 1 . 2]" 1
22 1 17 LEU H 1 17 LEU QD 1.800 . 4.210 3.949 3.307 4.153 . 0 0 "[ . 1 . 2]" 1
23 1 17 LEU H 1 18 ASN H 1.800 . 4.960 4.166 3.995 4.235 . 0 0 "[ . 1 . 2]" 1
24 1 17 LEU H 1 18 ASN HA 1.800 . 5.500 4.852 4.666 4.981 . 0 0 "[ . 1 . 2]" 1
25 1 17 LEU H 1 18 ASN QB 1.800 . 5.340 4.668 4.202 5.335 . 0 0 "[ . 1 . 2]" 1
26 1 17 LEU H 1 21 GLU QB 1.800 . 5.340 5.343 4.910 5.670 0.330 10 0 "[ . 1 . 2]" 1
27 1 17 LEU H 1 50 GLU H 1.800 . 5.500 5.592 5.516 5.696 0.196 13 0 "[ . 1 . 2]" 1
28 1 17 LEU H 1 50 GLU QB 1.800 . 5.340 2.628 2.467 2.835 . 0 0 "[ . 1 . 2]" 1
29 1 17 LEU H 1 51 LEU H 1.800 . 4.980 2.637 2.052 2.891 . 0 0 "[ . 1 . 2]" 1
30 1 17 LEU H 1 51 LEU HA 1.800 . 5.500 5.484 4.779 5.724 0.224 7 0 "[ . 1 . 2]" 1
31 1 17 LEU HA 1 18 ASN H 1.800 . 3.400 2.123 2.067 2.201 . 0 0 "[ . 1 . 2]" 1
32 1 17 LEU QB 1 18 ASN H 1.800 . 3.940 3.422 2.704 3.742 . 0 0 "[ . 1 . 2]" 1
33 1 17 LEU QB 1 51 LEU H 1.800 . 5.500 3.239 2.526 4.649 . 0 0 "[ . 1 . 2]" 1
34 1 17 LEU QD 1 18 ASN H 1.800 . 4.360 3.014 2.682 3.389 . 0 0 "[ . 1 . 2]" 1
35 1 17 LEU QD 1 20 ASP H 1.800 . 5.500 5.741 5.540 5.903 0.403 10 0 "[ . 1 . 2]" 1
36 1 17 LEU QD 1 21 GLU H 1.800 . 5.010 4.518 4.239 5.269 0.259 13 0 "[ . 1 . 2]" 1
37 1 17 LEU QD 1 22 LEU H 1.800 . 4.150 3.327 2.693 4.241 0.091 13 0 "[ . 1 . 2]" 1
38 1 17 LEU QD 1 51 LEU H 1.800 . 5.500 4.377 3.157 4.853 . 0 0 "[ . 1 . 2]" 1
39 1 17 LEU HG 1 51 LEU H 1.800 . 5.500 5.120 2.602 5.568 0.068 2 0 "[ . 1 . 2]" 1
40 1 18 ASN H 1 18 ASN HD21 1.800 . 5.500 3.735 2.226 5.343 . 0 0 "[ . 1 . 2]" 1
41 1 18 ASN H 1 18 ASN HD22 1.800 . 5.500 4.307 2.920 5.697 0.197 18 0 "[ . 1 . 2]" 1
42 1 18 ASN H 1 20 ASP QB 1.800 . 5.340 4.882 4.607 5.187 . 0 0 "[ . 1 . 2]" 1
43 1 18 ASN H 1 21 GLU H 1.800 . 4.280 3.211 2.996 3.452 . 0 0 "[ . 1 . 2]" 1
44 1 18 ASN H 1 21 GLU HA 1.800 . 5.500 4.824 4.622 5.186 . 0 0 "[ . 1 . 2]" 1
45 1 18 ASN H 1 21 GLU QB 1.800 . 3.810 2.058 1.814 2.714 . 0 0 "[ . 1 . 2]" 1
46 1 18 ASN H 1 21 GLU QG 1.800 . 4.600 2.523 2.198 3.094 . 0 0 "[ . 1 . 2]" 1
47 1 18 ASN H 1 22 LEU HG 1.800 . 5.500 4.340 3.664 4.821 . 0 0 "[ . 1 . 2]" 1
48 1 18 ASN H 1 51 LEU H 1.800 . 5.500 5.341 5.106 5.568 0.068 14 0 "[ . 1 . 2]" 1
49 1 18 ASN HA 1 18 ASN HD21 1.800 . 5.500 4.111 1.974 4.728 . 0 0 "[ . 1 . 2]" 1
50 1 18 ASN HA 1 18 ASN HD22 1.800 . 5.500 4.912 3.369 5.380 . 0 0 "[ . 1 . 2]" 1
51 1 18 ASN HA 1 20 ASP H 1.800 . 4.830 4.198 3.948 4.545 . 0 0 "[ . 1 . 2]" 1
52 1 18 ASN HA 1 22 LEU H 1.800 . 5.500 5.259 4.907 5.528 0.028 16 0 "[ . 1 . 2]" 1
53 1 18 ASN HA 1 51 LEU H 1.800 . 5.500 4.578 4.241 5.030 . 0 0 "[ . 1 . 2]" 1
54 1 18 ASN QB 1 19 PHE H 1.800 . 3.800 3.077 2.476 3.687 . 0 0 "[ . 1 . 2]" 1
55 1 18 ASN QB 1 20 ASP H 1.800 . 4.040 3.087 2.496 3.742 . 0 0 "[ . 1 . 2]" 1
56 1 18 ASN QB 1 21 GLU H 1.800 . 4.490 3.546 2.701 4.235 . 0 0 "[ . 1 . 2]" 1
57 1 18 ASN QB 1 22 LEU H 1.800 . 5.340 5.186 4.533 5.504 0.164 1 0 "[ . 1 . 2]" 1
58 1 18 ASN QB 1 50 GLU H 1.800 . 5.340 5.173 4.746 5.398 0.058 20 0 "[ . 1 . 2]" 1
59 1 18 ASN QD 1 19 PHE H 1.800 . 5.340 4.517 2.571 5.350 0.010 19 0 "[ . 1 . 2]" 1
60 1 18 ASN QD 1 20 ASP H 1.800 . 4.750 3.482 1.795 4.827 0.077 10 0 "[ . 1 . 2]" 1
61 1 18 ASN QD 1 21 GLU H 1.800 . 4.840 3.340 2.538 4.930 0.090 18 0 "[ . 1 . 2]" 1
62 1 18 ASN HD21 1 20 ASP H 1.800 . 5.500 3.885 1.847 5.466 . 0 0 "[ . 1 . 2]" 1
63 1 18 ASN HD21 1 21 GLU H 1.800 . 5.500 3.834 2.562 5.466 . 0 0 "[ . 1 . 2]" 1
64 1 18 ASN HD22 1 20 ASP H 1.800 . 5.500 4.185 2.387 5.642 0.142 11 0 "[ . 1 . 2]" 1
65 1 18 ASN HD22 1 21 GLU H 1.800 . 5.500 4.045 3.059 5.607 0.107 18 0 "[ . 1 . 2]" 1
66 1 19 PHE H 1 19 PHE QE 1.800 . 5.200 4.211 3.970 4.444 . 0 0 "[ . 1 . 2]" 1
67 1 19 PHE H 1 20 ASP H 1.800 . 4.160 3.161 3.079 3.264 . 0 0 "[ . 1 . 2]" 1
68 1 19 PHE H 1 21 GLU QG 1.800 . 5.340 5.479 5.344 5.696 0.356 9 0 "[ . 1 . 2]" 1
69 1 19 PHE HA 1 21 GLU H 1.800 . 5.230 4.751 4.525 4.891 . 0 0 "[ . 1 . 2]" 1
70 1 19 PHE HA 1 22 LEU H 1.800 . 4.080 3.953 3.384 4.244 0.164 17 0 "[ . 1 . 2]" 1
71 1 19 PHE HA 1 40 PHE QE 1.800 . 4.850 5.005 4.486 5.134 0.284 14 0 "[ . 1 . 2]" 1
72 1 19 PHE QB 1 40 PHE QE 1.800 . 4.520 3.182 2.570 3.650 . 0 0 "[ . 1 . 2]" 1
73 1 19 PHE QE 1 20 ASP H 1.800 . 4.520 3.766 3.594 3.990 . 0 0 "[ . 1 . 2]" 1
74 1 20 ASP H 1 20 ASP QB 1.800 . 2.990 2.246 2.200 2.357 . 0 0 "[ . 1 . 2]" 1
75 1 20 ASP H 1 21 GLU QB 1.800 . 4.770 4.531 4.180 4.733 . 0 0 "[ . 1 . 2]" 1
76 1 20 ASP H 1 21 GLU QG 1.800 . 4.710 4.193 3.960 5.007 0.297 16 0 "[ . 1 . 2]" 1
77 1 20 ASP H 1 22 LEU QD 1.800 . 5.440 4.421 4.108 5.043 . 0 0 "[ . 1 . 2]" 1
78 1 20 ASP H 1 22 LEU HG 1.800 . 5.500 4.517 4.188 5.208 . 0 0 "[ . 1 . 2]" 1
79 1 20 ASP H 1 23 ARG H 1.800 . 4.610 4.637 4.487 4.747 0.137 3 0 "[ . 1 . 2]" 1
80 1 20 ASP H 1 23 ARG QB 1.800 . 5.320 4.600 4.510 5.306 . 0 0 "[ . 1 . 2]" 1
81 1 20 ASP HA 1 23 ARG H 1.800 . 4.020 3.776 3.358 4.048 0.028 7 0 "[ . 1 . 2]" 1
82 1 20 ASP HA 1 24 GLN H 1.800 . 4.620 3.400 3.280 3.629 . 0 0 "[ . 1 . 2]" 1
83 1 20 ASP QB 1 21 GLU H 1.800 . 3.440 2.373 2.294 2.462 . 0 0 "[ . 1 . 2]" 1
84 1 20 ASP QB 1 23 ARG H 1.800 . 5.340 5.187 4.864 5.345 0.005 3 0 "[ . 1 . 2]" 1
85 1 21 GLU H 1 21 GLU QB 1.800 . 3.090 2.467 2.088 2.625 . 0 0 "[ . 1 . 2]" 1
86 1 21 GLU H 1 21 GLU QG 1.800 . 3.110 2.268 1.991 3.333 0.223 16 0 "[ . 1 . 2]" 1
87 1 21 GLU H 1 22 LEU QD 1.800 . 5.440 4.319 4.097 4.796 . 0 0 "[ . 1 . 2]" 1
88 1 21 GLU H 1 22 LEU HG 1.800 . 4.660 4.075 3.934 4.446 . 0 0 "[ . 1 . 2]" 1
89 1 21 GLU H 1 24 GLN H 1.800 . 5.180 4.874 4.717 5.025 . 0 0 "[ . 1 . 2]" 1
90 1 21 GLU HA 1 23 ARG H 1.800 . 4.760 4.878 4.752 4.954 0.194 7 0 "[ . 1 . 2]" 1
91 1 21 GLU QB 1 22 LEU H 1.800 . 3.240 2.611 2.371 3.299 0.059 16 0 "[ . 1 . 2]" 1
92 1 21 GLU QB 1 23 ARG H 1.800 . 5.340 4.843 4.682 5.349 0.009 10 0 "[ . 1 . 2]" 1
93 1 21 GLU QG 1 22 LEU H 1.800 . 4.510 3.738 2.150 4.080 . 0 0 "[ . 1 . 2]" 1
94 1 22 LEU H 1 22 LEU QB 1.800 . 3.050 2.665 2.453 2.811 . 0 0 "[ . 1 . 2]" 1
95 1 22 LEU H 1 22 LEU QD 1.800 . 3.940 2.822 2.674 3.155 . 0 0 "[ . 1 . 2]" 1
96 1 22 LEU H 1 22 LEU HG 1.800 . 3.010 1.984 1.890 2.282 . 0 0 "[ . 1 . 2]" 1
97 1 22 LEU H 1 23 ARG H 1.800 . 3.240 2.548 2.489 2.593 . 0 0 "[ . 1 . 2]" 1
98 1 22 LEU H 1 24 GLN H 1.800 . 4.900 4.294 4.141 4.424 . 0 0 "[ . 1 . 2]" 1
99 1 22 LEU H 1 25 ASP QB 1.800 . 5.000 4.936 4.710 5.136 0.136 3 0 "[ . 1 . 2]" 1
100 1 22 LEU HA 1 25 ASP H 1.800 . 4.540 3.743 3.601 3.893 . 0 0 "[ . 1 . 2]" 1
101 1 22 LEU QB 1 26 LEU H 1.800 . 4.550 4.656 4.521 4.762 0.212 3 0 "[ . 1 . 2]" 1
102 1 22 LEU QD 1 23 ARG H 1.800 . 4.590 2.779 2.247 3.931 . 0 0 "[ . 1 . 2]" 1
103 1 22 LEU QD 1 24 GLN H 1.800 . 5.440 4.775 4.356 5.623 0.183 16 0 "[ . 1 . 2]" 1
104 1 22 LEU QD 1 25 ASP H 1.800 . 5.440 5.020 4.935 5.158 . 0 0 "[ . 1 . 2]" 1
105 1 22 LEU QD 1 26 LEU H 1.800 . 4.640 4.708 4.574 4.968 0.328 6 0 "[ . 1 . 2]" 1
106 1 22 LEU HG 1 23 ARG H 1.800 . 3.610 2.531 1.851 4.048 0.438 16 0 "[ . 1 . 2]" 1
107 1 23 ARG H 1 23 ARG QB 1.800 . 2.860 2.285 2.230 2.501 . 0 0 "[ . 1 . 2]" 1
108 1 23 ARG H 1 23 ARG QD 1.800 . 4.540 4.648 4.397 4.817 0.277 20 0 "[ . 1 . 2]" 1
109 1 23 ARG H 1 24 GLN H 1.800 . 3.510 2.874 2.819 2.910 . 0 0 "[ . 1 . 2]" 1
110 1 23 ARG H 1 24 GLN QG 1.800 . 5.340 4.318 4.130 4.482 . 0 0 "[ . 1 . 2]" 1
111 1 23 ARG H 1 25 ASP H 1.800 . 5.500 4.178 4.099 4.282 . 0 0 "[ . 1 . 2]" 1
112 1 23 ARG H 1 25 ASP QB 1.800 . 5.500 4.918 4.816 5.065 . 0 0 "[ . 1 . 2]" 1
113 1 23 ARG H 1 26 LEU QD 1.800 . 4.900 3.866 3.662 4.225 . 0 0 "[ . 1 . 2]" 1
114 1 23 ARG H 1 36 ILE MG 1.800 . 4.380 4.443 4.176 4.585 0.205 18 0 "[ . 1 . 2]" 1
115 1 23 ARG HA 1 25 ASP H 1.800 . 5.500 4.275 4.117 4.464 . 0 0 "[ . 1 . 2]" 1
116 1 23 ARG HA 1 26 LEU H 1.800 . 4.410 3.496 3.349 3.661 . 0 0 "[ . 1 . 2]" 1
117 1 23 ARG HA 1 27 LYS H 1.800 . 4.590 4.006 3.671 4.200 . 0 0 "[ . 1 . 2]" 1
118 1 23 ARG QB 1 24 GLN H 1.800 . 3.580 2.397 2.230 3.421 . 0 0 "[ . 1 . 2]" 1
119 1 23 ARG QD 1 24 GLN H 1.800 . 4.910 3.769 2.930 4.923 0.013 17 0 "[ . 1 . 2]" 1
120 1 23 ARG QD 1 24 GLN QE 1.800 . 5.340 4.306 2.195 5.388 0.048 7 0 "[ . 1 . 2]" 1
121 1 23 ARG QD 1 27 LYS H 1.800 . 5.500 5.427 4.601 5.823 0.323 6 0 "[ . 1 . 2]" 1
122 1 23 ARG QG 1 24 GLN H 1.800 . 3.850 3.562 1.868 3.900 0.050 2 0 "[ . 1 . 2]" 1
123 1 24 GLN H 1 24 GLN QB 1.800 . 2.800 2.396 2.278 2.469 . 0 0 "[ . 1 . 2]" 1
124 1 24 GLN H 1 24 GLN QG 1.800 . 3.390 2.115 1.933 2.512 . 0 0 "[ . 1 . 2]" 1
125 1 24 GLN H 1 25 ASP QB 1.800 . 4.580 4.545 4.429 4.657 0.077 15 0 "[ . 1 . 2]" 1
126 1 24 GLN H 1 26 LEU H 1.800 . 4.870 4.249 4.139 4.440 . 0 0 "[ . 1 . 2]" 1
127 1 24 GLN H 1 27 LYS QE 1.800 . 5.500 5.095 4.686 5.362 . 0 0 "[ . 1 . 2]" 1
128 1 24 GLN H 1 36 ILE MG 1.800 . 5.500 5.155 5.036 5.416 . 0 0 "[ . 1 . 2]" 1
129 1 24 GLN HA 1 24 GLN HE21 1.800 . 5.500 4.002 3.165 4.878 . 0 0 "[ . 1 . 2]" 1
130 1 24 GLN HA 1 24 GLN HE22 1.800 . 5.500 4.892 3.802 5.781 0.281 13 0 "[ . 1 . 2]" 1
131 1 24 GLN HA 1 26 LEU H 1.800 . 5.220 4.676 4.569 4.816 . 0 0 "[ . 1 . 2]" 1
132 1 24 GLN HA 1 27 LYS H 1.800 . 4.170 3.733 3.597 3.959 . 0 0 "[ . 1 . 2]" 1
133 1 24 GLN QB 1 25 ASP H 1.800 . 3.700 2.912 2.674 3.601 . 0 0 "[ . 1 . 2]" 1
134 1 24 GLN QB 1 27 LYS H 1.800 . 5.500 5.070 4.959 5.319 . 0 0 "[ . 1 . 2]" 1
135 1 24 GLN QG 1 26 LEU H 1.800 . 5.340 5.419 4.349 5.722 0.382 5 0 "[ . 1 . 2]" 1
136 1 24 GLN QG 1 27 LYS H 1.800 . 5.340 5.493 5.215 5.630 0.290 12 0 "[ . 1 . 2]" 1
137 1 25 ASP H 1 25 ASP QB 1.800 . 3.350 2.182 2.151 2.210 . 0 0 "[ . 1 . 2]" 1
138 1 25 ASP H 1 26 LEU H 1.800 . 3.620 2.380 2.329 2.473 . 0 0 "[ . 1 . 2]" 1
139 1 25 ASP H 1 26 LEU QD 1.800 . 5.440 4.597 4.516 4.745 . 0 0 "[ . 1 . 2]" 1
140 1 25 ASP H 1 27 LYS H 1.800 . 4.830 3.866 3.788 3.915 . 0 0 "[ . 1 . 2]" 1
141 1 25 ASP H 1 27 LYS QE 1.800 . 5.500 5.666 5.620 5.741 0.241 6 0 "[ . 1 . 2]" 1
142 1 25 ASP QB 1 26 LEU H 1.800 . 3.390 2.358 2.314 2.408 . 0 0 "[ . 1 . 2]" 1
143 1 25 ASP QB 1 27 LYS H 1.800 . 5.220 4.551 4.494 4.631 . 0 0 "[ . 1 . 2]" 1
144 1 26 LEU H 1 26 LEU QB 1.800 . 3.180 2.486 2.433 2.533 . 0 0 "[ . 1 . 2]" 1
145 1 26 LEU H 1 26 LEU QD 1.800 . 3.520 3.190 3.083 3.296 . 0 0 "[ . 1 . 2]" 1
146 1 26 LEU H 1 26 LEU HG 1.800 . 3.180 2.432 2.214 2.554 . 0 0 "[ . 1 . 2]" 1
147 1 26 LEU H 1 27 LYS H 1.800 . 3.530 2.699 2.656 2.771 . 0 0 "[ . 1 . 2]" 1
148 1 26 LEU H 1 28 GLY H 1.800 . 5.500 4.464 4.413 4.533 . 0 0 "[ . 1 . 2]" 1
149 1 26 LEU H 1 29 LYS H 1.800 . 5.500 5.034 4.904 5.135 . 0 0 "[ . 1 . 2]" 1
150 1 26 LEU H 1 29 LYS QB 1.800 . 5.500 5.374 5.249 5.555 0.055 15 0 "[ . 1 . 2]" 1
151 1 26 LEU H 1 29 LYS QE 1.800 . 5.500 5.418 5.254 5.532 0.032 5 0 "[ . 1 . 2]" 1
152 1 26 LEU H 1 29 LYS QG 1.800 . 4.890 4.304 4.213 4.356 . 0 0 "[ . 1 . 2]" 1
153 1 26 LEU HA 1 29 LYS H 1.800 . 3.960 3.115 3.023 3.221 . 0 0 "[ . 1 . 2]" 1
154 1 26 LEU QB 1 27 LYS H 1.800 . 3.600 2.854 2.782 2.931 . 0 0 "[ . 1 . 2]" 1
155 1 26 LEU QB 1 28 GLY H 1.800 . 5.340 4.880 4.839 4.935 . 0 0 "[ . 1 . 2]" 1
156 1 26 LEU QB 1 29 LYS H 1.800 . 5.340 4.547 4.507 4.597 . 0 0 "[ . 1 . 2]" 1
157 1 26 LEU QB 1 31 HIS H 1.800 . 4.920 4.243 4.045 4.680 . 0 0 "[ . 1 . 2]" 1
158 1 26 LEU QB 1 31 HIS HD2 1.800 . 4.900 3.503 2.981 3.744 . 0 0 "[ . 1 . 2]" 1
159 1 26 LEU QD 1 31 HIS HD2 1.800 . 4.430 2.396 2.360 2.426 . 0 0 "[ . 1 . 2]" 1
160 1 26 LEU QD 1 39 ILE H 1.800 . 5.070 4.805 4.349 5.080 0.010 12 0 "[ . 1 . 2]" 1
161 1 26 LEU QD 1 40 PHE H 1.800 . 4.790 4.306 3.682 4.577 . 0 0 "[ . 1 . 2]" 1
162 1 27 LYS H 1 27 LYS QB 1.800 . 2.880 2.194 2.144 2.232 . 0 0 "[ . 1 . 2]" 1
163 1 27 LYS H 1 27 LYS QE 1.800 . 5.500 4.218 4.058 4.347 . 0 0 "[ . 1 . 2]" 1
164 1 27 LYS H 1 27 LYS QG 1.800 . 4.040 3.982 3.923 4.020 . 0 0 "[ . 1 . 2]" 1
165 1 27 LYS H 1 28 GLY H 1.800 . 4.620 2.755 2.693 2.798 . 0 0 "[ . 1 . 2]" 1
166 1 27 LYS H 1 28 GLY QA 1.800 . 5.200 4.621 4.576 4.655 . 0 0 "[ . 1 . 2]" 1
167 1 27 LYS H 1 29 LYS H 1.800 . 5.260 4.103 4.028 4.161 . 0 0 "[ . 1 . 2]" 1
168 1 27 LYS H 1 29 LYS QB 1.800 . 5.500 5.147 5.051 5.296 . 0 0 "[ . 1 . 2]" 1
169 1 27 LYS H 1 31 HIS QB 1.800 . 5.340 4.834 4.548 5.111 . 0 0 "[ . 1 . 2]" 1
170 1 27 LYS H 1 36 ILE MD 1.800 . 3.740 3.833 3.752 3.881 0.141 11 0 "[ . 1 . 2]" 1
171 1 27 LYS QB 1 28 GLY H 1.800 . 4.460 2.437 2.348 2.486 . 0 0 "[ . 1 . 2]" 1
172 1 27 LYS QD 1 28 GLY H 1.800 . 5.500 4.914 4.442 5.187 . 0 0 "[ . 1 . 2]" 1
173 1 27 LYS QE 1 28 GLY H 1.800 . 5.500 4.422 3.963 4.972 . 0 0 "[ . 1 . 2]" 1
174 1 27 LYS QG 1 31 HIS H 1.800 . 5.500 5.386 5.278 5.517 0.017 8 0 "[ . 1 . 2]" 1
175 1 28 GLY H 1 29 LYS H 1.800 . 4.440 2.706 2.674 2.735 . 0 0 "[ . 1 . 2]" 1
176 1 28 GLY H 1 29 LYS QE 1.800 . 5.500 5.333 5.199 5.691 0.191 7 0 "[ . 1 . 2]" 1
177 1 28 GLY H 1 29 LYS QG 1.800 . 5.340 3.914 3.719 4.038 . 0 0 "[ . 1 . 2]" 1
178 1 28 GLY H 1 36 ILE MD 1.800 . 5.500 5.367 5.148 5.515 0.015 17 0 "[ . 1 . 2]" 1
179 1 28 GLY QA 1 30 GLY H 1.800 . 5.170 3.301 3.255 3.346 . 0 0 "[ . 1 . 2]" 1
180 1 29 LYS H 1 29 LYS QB 1.800 . 3.710 2.528 2.500 2.572 . 0 0 "[ . 1 . 2]" 1
181 1 29 LYS H 1 29 LYS QD 1.800 . 3.360 3.354 3.204 3.428 0.068 11 0 "[ . 1 . 2]" 1
182 1 29 LYS H 1 29 LYS QE 1.800 . 5.490 4.084 3.997 4.439 . 0 0 "[ . 1 . 2]" 1
183 1 29 LYS H 1 29 LYS QG 1.800 . 3.450 2.012 1.900 2.067 . 0 0 "[ . 1 . 2]" 1
184 1 29 LYS H 1 30 GLY H 1.800 . 4.110 2.713 2.652 2.794 . 0 0 "[ . 1 . 2]" 1
185 1 29 LYS H 1 30 GLY QA 1.800 . 5.310 4.576 4.538 4.631 . 0 0 "[ . 1 . 2]" 1
186 1 29 LYS H 1 31 HIS QB 1.800 . 5.340 4.752 4.647 4.845 . 0 0 "[ . 1 . 2]" 1
187 1 29 LYS QB 1 30 GLY H 1.800 . 5.500 3.446 3.359 3.538 . 0 0 "[ . 1 . 2]" 1
188 1 29 LYS QB 1 31 HIS H 1.800 . 5.260 2.947 2.859 3.013 . 0 0 "[ . 1 . 2]" 1
189 1 29 LYS QB 1 31 HIS HD2 1.800 . 5.260 4.282 3.964 4.460 . 0 0 "[ . 1 . 2]" 1
190 1 29 LYS QD 1 30 GLY H 1.800 . 5.130 4.819 4.776 4.846 . 0 0 "[ . 1 . 2]" 1
191 1 29 LYS QG 1 30 GLY H 1.800 . 5.340 4.324 4.247 4.403 . 0 0 "[ . 1 . 2]" 1
192 1 29 LYS QG 1 31 HIS H 1.800 . 5.500 4.635 4.541 4.679 . 0 0 "[ . 1 . 2]" 1
193 1 29 LYS QG 1 31 HIS HD2 1.800 . 5.340 5.166 4.808 5.386 0.046 4 0 "[ . 1 . 2]" 1
194 1 30 GLY H 1 31 HIS H 1.800 . 4.080 2.672 2.634 2.715 . 0 0 "[ . 1 . 2]" 1
195 1 30 GLY H 1 31 HIS QB 1.800 . 5.340 4.614 4.553 4.710 . 0 0 "[ . 1 . 2]" 1
196 1 30 GLY H 1 31 HIS HE1 1.800 . 5.500 5.707 5.652 5.753 0.253 17 0 "[ . 1 . 2]" 1
197 1 31 HIS H 1 31 HIS QB 1.800 . 3.200 2.294 2.256 2.378 . 0 0 "[ . 1 . 2]" 1
198 1 31 HIS H 1 32 THR H 1.800 . 5.240 4.589 4.559 4.607 . 0 0 "[ . 1 . 2]" 1
199 1 31 HIS H 1 32 THR MG 1.800 . 5.500 5.374 5.316 5.420 . 0 0 "[ . 1 . 2]" 1
200 1 31 HIS H 1 36 ILE MD 1.800 . 4.690 3.648 3.357 3.806 . 0 0 "[ . 1 . 2]" 1
201 1 31 HIS H 1 36 ILE QG 1.800 . 4.690 4.369 4.093 4.591 . 0 0 "[ . 1 . 2]" 1
202 1 31 HIS QB 1 32 THR H 1.800 . 3.670 2.449 2.418 2.479 . 0 0 "[ . 1 . 2]" 1
203 1 31 HIS QB 1 36 ILE H 1.800 . 3.980 3.647 3.497 3.912 . 0 0 "[ . 1 . 2]" 1
204 1 32 THR H 1 32 THR MG 1.800 . 3.270 2.305 2.250 2.355 . 0 0 "[ . 1 . 2]" 1
205 1 32 THR H 1 35 GLU H 1.800 . 4.280 3.903 3.745 4.105 . 0 0 "[ . 1 . 2]" 1
206 1 32 THR H 1 35 GLU HA 1.800 . 5.500 5.582 5.479 5.677 0.177 17 0 "[ . 1 . 2]" 1
207 1 32 THR H 1 35 GLU QB 1.800 . 4.220 2.581 2.513 2.644 . 0 0 "[ . 1 . 2]" 1
208 1 32 THR H 1 35 GLU QG 1.800 . 3.580 3.491 3.295 3.769 0.189 7 0 "[ . 1 . 2]" 1
209 1 32 THR H 1 36 ILE H 1.800 . 5.000 3.975 3.862 4.159 . 0 0 "[ . 1 . 2]" 1
210 1 32 THR H 1 36 ILE HA 1.800 . 5.500 5.797 5.700 5.864 0.364 18 0 "[ . 1 . 2]" 1
211 1 32 THR HA 1 34 ALA H 1.800 . 5.030 4.382 4.328 4.437 . 0 0 "[ . 1 . 2]" 1
212 1 32 THR HA 1 35 GLU H 1.800 . 4.730 4.799 4.775 4.837 0.107 17 0 "[ . 1 . 2]" 1
213 1 32 THR MG 1 33 ASP H 1.800 . 4.430 3.865 3.830 3.897 . 0 0 "[ . 1 . 2]" 1
214 1 33 ASP H 1 33 ASP QB 1.800 . 3.700 2.461 2.246 2.522 . 0 0 "[ . 1 . 2]" 1
215 1 33 ASP H 1 34 ALA H 1.800 . 5.300 2.705 2.641 2.751 . 0 0 "[ . 1 . 2]" 1
216 1 33 ASP H 1 34 ALA MB 1.800 . 5.480 4.369 4.321 4.414 . 0 0 "[ . 1 . 2]" 1
217 1 33 ASP HA 1 35 GLU H 1.800 . 4.610 4.691 4.646 4.722 0.112 16 0 "[ . 1 . 2]" 1
218 1 33 ASP HA 1 36 ILE H 1.800 . 3.970 3.665 3.599 3.717 . 0 0 "[ . 1 . 2]" 1
219 1 33 ASP HA 1 37 GLU H 1.800 . 4.530 3.720 3.580 4.091 . 0 0 "[ . 1 . 2]" 1
220 1 33 ASP QB 1 34 ALA H 1.800 . 3.670 2.790 2.486 3.409 . 0 0 "[ . 1 . 2]" 1
221 1 33 ASP QB 1 37 GLU H 1.800 . 5.340 4.627 4.482 5.038 . 0 0 "[ . 1 . 2]" 1
222 1 34 ALA H 1 34 ALA MB 1.800 . 3.190 2.248 2.238 2.260 . 0 0 "[ . 1 . 2]" 1
223 1 34 ALA H 1 35 GLU H 1.800 . 3.760 2.922 2.897 2.941 . 0 0 "[ . 1 . 2]" 1
224 1 34 ALA H 1 35 GLU QG 1.800 . 5.500 4.559 4.525 4.608 . 0 0 "[ . 1 . 2]" 1
225 1 34 ALA MB 1 35 GLU H 1.800 . 3.040 2.442 2.412 2.470 . 0 0 "[ . 1 . 2]" 1
226 1 34 ALA MB 1 36 ILE H 1.800 . 4.690 4.569 4.495 4.618 . 0 0 "[ . 1 . 2]" 1
227 1 35 GLU H 1 35 GLU QB 1.800 . 3.320 2.334 2.270 2.389 . 0 0 "[ . 1 . 2]" 1
228 1 35 GLU H 1 35 GLU QG 1.800 . 2.720 2.194 2.134 2.293 . 0 0 "[ . 1 . 2]" 1
229 1 35 GLU H 1 36 ILE H 1.800 . 3.190 2.692 2.628 2.727 . 0 0 "[ . 1 . 2]" 1
230 1 35 GLU H 1 36 ILE MD 1.800 . 4.880 5.017 4.982 5.059 0.179 11 0 "[ . 1 . 2]" 1
231 1 35 GLU H 1 37 GLU H 1.800 . 4.620 4.477 4.303 4.536 . 0 0 "[ . 1 . 2]" 1
232 1 35 GLU H 1 37 GLU QG 1.800 . 5.040 4.667 4.427 5.387 0.347 1 0 "[ . 1 . 2]" 1
233 1 35 GLU HA 1 39 ILE H 1.800 . 4.920 3.939 3.742 4.211 . 0 0 "[ . 1 . 2]" 1
234 1 35 GLU QB 1 36 ILE H 1.800 . 3.840 2.406 2.313 2.529 . 0 0 "[ . 1 . 2]" 1
235 1 35 GLU QG 1 36 ILE H 1.800 . 4.330 4.045 3.993 4.114 . 0 0 "[ . 1 . 2]" 1
236 1 36 ILE H 1 36 ILE HB 1.800 . 2.930 2.477 2.366 2.543 . 0 0 "[ . 1 . 2]" 1
237 1 36 ILE H 1 36 ILE MD 1.800 . 3.650 3.398 3.357 3.425 . 0 0 "[ . 1 . 2]" 1
238 1 36 ILE H 1 37 GLU H 1.800 . 3.280 2.902 2.721 3.000 . 0 0 "[ . 1 . 2]" 1
239 1 36 ILE H 1 37 GLU QG 1.800 . 5.340 4.301 4.115 4.440 . 0 0 "[ . 1 . 2]" 1
240 1 36 ILE H 1 38 ALA H 1.800 . 4.410 4.237 4.157 4.294 . 0 0 "[ . 1 . 2]" 1
241 1 36 ILE H 1 38 ALA MB 1.800 . 5.230 4.741 4.678 4.790 . 0 0 "[ . 1 . 2]" 1
242 1 36 ILE HA 1 38 ALA H 1.800 . 4.980 4.619 4.475 4.714 . 0 0 "[ . 1 . 2]" 1
243 1 36 ILE HA 1 39 ILE H 1.800 . 4.250 3.830 3.609 3.959 . 0 0 "[ . 1 . 2]" 1
244 1 36 ILE HB 1 37 GLU H 1.800 . 3.310 2.441 2.390 2.575 . 0 0 "[ . 1 . 2]" 1
245 1 36 ILE MD 1 37 GLU H 1.800 . 4.390 4.383 4.341 4.479 0.089 4 0 "[ . 1 . 2]" 1
246 1 36 ILE MG 1 37 GLU H 1.800 . 3.760 3.141 2.954 3.200 . 0 0 "[ . 1 . 2]" 1
247 1 37 GLU H 1 37 GLU QB 1.800 . 2.770 2.384 2.321 2.501 . 0 0 "[ . 1 . 2]" 1
248 1 37 GLU H 1 37 GLU QG 1.800 . 3.470 2.306 2.015 2.477 . 0 0 "[ . 1 . 2]" 1
249 1 37 GLU H 1 38 ALA H 1.800 . 3.120 2.736 2.670 2.830 . 0 0 "[ . 1 . 2]" 1
250 1 37 GLU H 1 38 ALA MB 1.800 . 4.280 4.314 4.289 4.385 0.105 17 0 "[ . 1 . 2]" 1
251 1 37 GLU H 1 40 PHE QE 1.800 . 4.800 5.002 4.947 5.064 0.264 4 0 "[ . 1 . 2]" 1
252 1 37 GLU HA 1 39 ILE H 1.800 . 5.140 4.636 4.585 4.683 . 0 0 "[ . 1 . 2]" 1
253 1 37 GLU QB 1 39 ILE H 1.800 . 4.990 5.205 4.705 5.342 0.352 8 0 "[ . 1 . 2]" 1
254 1 37 GLU QB 1 40 PHE H 1.800 . 5.410 5.429 5.321 5.516 0.106 9 0 "[ . 1 . 2]" 1
255 1 37 GLU QB 1 40 PHE QE 1.800 . 5.500 2.707 2.555 3.108 . 0 0 "[ . 1 . 2]" 1
256 1 37 GLU QB 1 41 THR H 1.800 . 5.410 4.995 4.653 5.183 . 0 0 "[ . 1 . 2]" 1
257 1 37 GLU QG 1 38 ALA H 1.800 . 4.000 2.446 1.961 4.021 0.021 4 0 "[ . 1 . 2]" 1
258 1 37 GLU QG 1 39 ILE H 1.800 . 5.500 4.688 4.360 5.719 0.219 7 0 "[ . 1 . 2]" 1
259 1 37 GLU QG 1 41 THR H 1.800 . 5.500 5.408 5.170 5.710 0.210 1 0 "[ . 1 . 2]" 1
260 1 38 ALA H 1 38 ALA MB 1.800 . 2.620 2.165 2.132 2.198 . 0 0 "[ . 1 . 2]" 1
261 1 38 ALA H 1 39 ILE H 1.800 . 3.540 2.723 2.664 2.812 . 0 0 "[ . 1 . 2]" 1
262 1 38 ALA H 1 39 ILE MD 1.800 . 4.780 4.160 3.938 4.407 . 0 0 "[ . 1 . 2]" 1
263 1 38 ALA H 1 40 PHE QE 1.800 . 5.500 5.195 5.038 5.401 . 0 0 "[ . 1 . 2]" 1
264 1 38 ALA HA 1 40 PHE H 1.800 . 4.920 4.780 4.734 4.875 . 0 0 "[ . 1 . 2]" 1
265 1 38 ALA MB 1 39 ILE H 1.800 . 3.460 2.377 2.343 2.410 . 0 0 "[ . 1 . 2]" 1
266 1 38 ALA MB 1 41 THR H 1.800 . 4.910 4.794 4.726 4.966 0.056 15 0 "[ . 1 . 2]" 1
267 1 39 ILE H 1 39 ILE HB 1.800 . 3.120 2.253 2.177 2.373 . 0 0 "[ . 1 . 2]" 1
268 1 39 ILE H 1 39 ILE MD 1.800 . 3.920 2.304 2.133 2.581 . 0 0 "[ . 1 . 2]" 1
269 1 39 ILE H 1 39 ILE MG 1.800 . 3.990 3.713 3.610 3.828 . 0 0 "[ . 1 . 2]" 1
270 1 39 ILE H 1 40 PHE H 1.800 . 3.480 2.911 2.866 2.973 . 0 0 "[ . 1 . 2]" 1
271 1 39 ILE H 1 40 PHE QB 1.800 . 5.250 4.838 4.760 4.915 . 0 0 "[ . 1 . 2]" 1
272 1 39 ILE H 1 41 THR H 1.800 . 4.530 4.179 4.113 4.305 . 0 0 "[ . 1 . 2]" 1
273 1 39 ILE H 1 41 THR MG 1.800 . 6.000 5.973 4.311 6.126 0.126 7 0 "[ . 1 . 2]" 1
274 1 39 ILE HA 1 41 THR H 1.800 . 5.060 4.553 4.445 4.693 . 0 0 "[ . 1 . 2]" 1
275 1 39 ILE HA 1 43 TYR QD 1.800 . 5.300 3.769 3.249 4.327 . 0 0 "[ . 1 . 2]" 1
276 1 39 ILE HA 1 43 TYR QE 1.800 . 5.030 3.884 3.543 4.416 . 0 0 "[ . 1 . 2]" 1
277 1 39 ILE HB 1 40 PHE H 1.800 . 3.320 2.858 2.728 2.954 . 0 0 "[ . 1 . 2]" 1
278 1 39 ILE HB 1 41 THR H 1.800 . 5.140 5.113 5.057 5.207 0.067 15 0 "[ . 1 . 2]" 1
279 1 39 ILE MD 1 41 THR H 1.800 . 5.500 5.669 5.612 5.750 0.250 15 0 "[ . 1 . 2]" 1
280 1 39 ILE QG 1 43 TYR QD 1.800 . 4.970 4.330 4.111 4.614 . 0 0 "[ . 1 . 2]" 1
281 1 39 ILE QG 1 43 TYR QE 1.800 . 4.190 3.371 2.454 4.214 0.024 8 0 "[ . 1 . 2]" 1
282 1 39 ILE MG 1 40 PHE H 1.800 . 3.710 2.618 2.408 2.867 . 0 0 "[ . 1 . 2]" 1
283 1 39 ILE MG 1 41 THR H 1.800 . 5.260 4.586 4.419 4.789 . 0 0 "[ . 1 . 2]" 1
284 1 39 ILE MG 1 43 TYR H 1.800 . 5.500 4.419 4.209 4.606 . 0 0 "[ . 1 . 2]" 1
285 1 39 ILE MG 1 43 TYR QD 1.800 . 4.300 3.139 2.445 3.660 . 0 0 "[ . 1 . 2]" 1
286 1 39 ILE MG 1 43 TYR QE 1.800 . 3.970 3.391 2.353 4.132 0.162 16 0 "[ . 1 . 2]" 1
287 1 39 ILE MG 1 44 ASP H 1.800 . 5.500 5.579 5.364 5.766 0.266 15 0 "[ . 1 . 2]" 1
288 1 40 PHE H 1 40 PHE QB 1.800 . 3.160 2.232 2.168 2.282 . 0 0 "[ . 1 . 2]" 1
289 1 40 PHE H 1 41 THR H 1.800 . 3.640 2.526 2.462 2.625 . 0 0 "[ . 1 . 2]" 1
290 1 40 PHE H 1 41 THR MG 1.800 . 5.440 5.609 4.206 5.739 0.299 17 0 "[ . 1 . 2]" 1
291 1 40 PHE H 1 42 LYS H 1.800 . 4.530 4.266 4.165 4.369 . 0 0 "[ . 1 . 2]" 1
292 1 40 PHE H 1 42 LYS QB 1.800 . 5.490 5.188 5.034 5.334 . 0 0 "[ . 1 . 2]" 1
293 1 40 PHE H 1 43 TYR H 1.800 . 5.500 4.986 4.785 5.188 . 0 0 "[ . 1 . 2]" 1
294 1 40 PHE HA 1 43 TYR H 1.800 . 5.500 3.700 3.551 3.842 . 0 0 "[ . 1 . 2]" 1
295 1 40 PHE QE 1 41 THR H 1.800 . 4.260 3.785 3.681 3.966 . 0 0 "[ . 1 . 2]" 1
296 1 41 THR H 1 41 THR HB 1.800 . 3.270 2.311 2.251 2.485 . 0 0 "[ . 1 . 2]" 1
297 1 41 THR H 1 41 THR MG 1.800 . 3.510 3.631 2.430 3.713 0.203 1 0 "[ . 1 . 2]" 1
298 1 41 THR H 1 42 LYS H 1.800 . 3.310 2.795 2.731 2.870 . 0 0 "[ . 1 . 2]" 1
299 1 41 THR H 1 42 LYS QB 1.800 . 4.500 4.576 4.416 4.673 0.173 14 0 "[ . 1 . 2]" 1
300 1 41 THR H 1 43 TYR H 1.800 . 5.010 4.435 4.341 4.567 . 0 0 "[ . 1 . 2]" 1
301 1 41 THR H 1 44 ASP QB 1.800 . 5.500 4.886 4.705 5.110 . 0 0 "[ . 1 . 2]" 1
302 1 41 THR HA 1 43 TYR H 1.800 . 5.500 4.891 4.753 4.973 . 0 0 "[ . 1 . 2]" 1
303 1 41 THR HA 1 44 ASP H 1.800 . 4.170 3.746 3.444 3.927 . 0 0 "[ . 1 . 2]" 1
304 1 41 THR HA 1 45 GLN QE 1.800 . 5.340 5.370 5.302 5.426 0.086 6 0 "[ . 1 . 2]" 1
305 1 41 THR MG 1 42 LYS H 1.800 . 3.830 3.178 2.231 3.350 . 0 0 "[ . 1 . 2]" 1
306 1 41 THR MG 1 43 TYR H 1.800 . 5.500 5.189 4.630 5.305 . 0 0 "[ . 1 . 2]" 1
307 1 41 THR MG 1 44 ASP H 1.800 . 5.500 5.070 4.920 5.215 . 0 0 "[ . 1 . 2]" 1
308 1 41 THR MG 1 45 GLN QE 1.800 . 5.340 4.983 4.613 5.339 . 0 0 "[ . 1 . 2]" 1
309 1 42 LYS H 1 42 LYS QB 1.800 . 2.660 2.228 2.174 2.265 . 0 0 "[ . 1 . 2]" 1
310 1 42 LYS H 1 42 LYS QD 1.800 . 4.330 4.052 3.723 4.412 0.082 10 0 "[ . 1 . 2]" 1
311 1 42 LYS H 1 42 LYS QG 1.800 . 3.780 2.995 2.316 3.943 0.163 4 0 "[ . 1 . 2]" 1
312 1 42 LYS H 1 43 TYR H 1.800 . 4.000 2.742 2.663 2.869 . 0 0 "[ . 1 . 2]" 1
313 1 42 LYS H 1 44 ASP H 1.800 . 4.180 3.976 3.902 4.050 . 0 0 "[ . 1 . 2]" 1
314 1 42 LYS HA 1 44 ASP H 1.800 . 5.070 4.528 4.420 4.645 . 0 0 "[ . 1 . 2]" 1
315 1 42 LYS QB 1 43 TYR H 1.800 . 3.950 2.351 2.300 2.401 . 0 0 "[ . 1 . 2]" 1
316 1 42 LYS QB 1 43 TYR QD 1.800 . 5.000 2.903 2.382 3.926 . 0 0 "[ . 1 . 2]" 1
317 1 42 LYS QB 1 43 TYR QE 1.800 . 4.920 3.715 3.486 4.139 . 0 0 "[ . 1 . 2]" 1
318 1 42 LYS QD 1 43 TYR H 1.800 . 5.500 4.534 4.310 5.116 . 0 0 "[ . 1 . 2]" 1
319 1 42 LYS QG 1 43 TYR H 1.800 . 5.500 3.898 3.513 4.244 . 0 0 "[ . 1 . 2]" 1
320 1 43 TYR H 1 43 TYR QD 1.800 . 4.110 2.454 1.973 3.108 . 0 0 "[ . 1 . 2]" 1
321 1 43 TYR H 1 43 TYR QE 1.800 . 5.500 4.376 4.286 4.508 . 0 0 "[ . 1 . 2]" 1
322 1 43 TYR H 1 44 ASP H 1.800 . 3.390 2.669 2.634 2.716 . 0 0 "[ . 1 . 2]" 1
323 1 43 TYR H 1 44 ASP HA 1.800 . 5.500 5.365 5.335 5.404 . 0 0 "[ . 1 . 2]" 1
324 1 43 TYR H 1 44 ASP QB 1.800 . 5.500 4.955 4.495 5.163 . 0 0 "[ . 1 . 2]" 1
325 1 43 TYR H 1 51 LEU QD 1.800 . 5.500 4.686 4.226 5.249 . 0 0 "[ . 1 . 2]" 1
326 1 43 TYR H 1 59 MET QB 1.800 . 5.500 5.027 4.570 5.481 . 0 0 "[ . 1 . 2]" 1
327 1 43 TYR HA 1 45 GLN H 1.800 . 5.480 5.327 5.101 5.497 0.017 17 0 "[ . 1 . 2]" 1
328 1 43 TYR HA 1 45 GLN HE21 1.800 . 5.500 4.194 3.790 4.491 . 0 0 "[ . 1 . 2]" 1
329 1 43 TYR HA 1 45 GLN HE22 1.800 . 5.500 3.930 2.945 5.202 . 0 0 "[ . 1 . 2]" 1
330 1 43 TYR QB 1 44 ASP H 1.800 . 3.940 2.838 2.771 2.921 . 0 0 "[ . 1 . 2]" 1
331 1 43 TYR QB 1 59 MET H 1.800 . 6.000 6.138 5.729 6.321 0.321 8 0 "[ . 1 . 2]" 1
332 1 43 TYR QD 1 44 ASP H 1.800 . 4.780 4.427 4.338 4.529 . 0 0 "[ . 1 . 2]" 1
333 1 43 TYR QD 1 59 MET QB 1.800 . 4.670 2.709 2.116 3.207 . 0 0 "[ . 1 . 2]" 1
334 1 43 TYR QD 1 59 MET QG 1.800 . 5.500 3.392 2.405 3.932 . 0 0 "[ . 1 . 2]" 1
335 1 43 TYR QE 1 59 MET H 1.800 . 5.500 5.187 4.687 5.786 0.286 11 0 "[ . 1 . 2]" 1
336 1 43 TYR QE 1 59 MET QB 1.800 . 4.160 2.636 2.320 3.187 . 0 0 "[ . 1 . 2]" 1
337 1 43 TYR QE 1 59 MET QG 1.800 . 5.100 4.098 2.522 4.501 . 0 0 "[ . 1 . 2]" 1
338 1 43 TYR QE 1 62 ASP QB 1.800 . 5.080 4.918 3.796 5.307 0.227 2 0 "[ . 1 . 2]" 1
339 1 43 TYR QE 1 63 LEU H 1.800 . 5.500 4.960 4.191 5.464 . 0 0 "[ . 1 . 2]" 1
340 1 43 TYR QE 1 63 LEU QD 1.800 . 5.260 2.770 2.176 4.053 . 0 0 "[ . 1 . 2]" 1
341 1 44 ASP H 1 44 ASP QB 1.800 . 3.000 2.654 2.341 2.858 . 0 0 "[ . 1 . 2]" 1
342 1 44 ASP H 1 45 GLN H 1.800 . 4.240 4.182 4.084 4.261 0.021 6 0 "[ . 1 . 2]" 1
343 1 44 ASP H 1 51 LEU QD 1.800 . 5.360 3.703 3.053 4.134 . 0 0 "[ . 1 . 2]" 1
344 1 44 ASP HA 1 45 GLN H 1.800 . 3.390 2.192 2.128 2.272 . 0 0 "[ . 1 . 2]" 1
345 1 44 ASP QB 1 45 GLN H 1.800 . 4.330 3.677 3.570 3.967 . 0 0 "[ . 1 . 2]" 1
346 1 45 GLN H 1 45 GLN QB 1.800 . 3.250 2.417 2.261 2.564 . 0 0 "[ . 1 . 2]" 1
347 1 45 GLN H 1 45 GLN HE21 1.800 . 5.500 2.769 2.626 2.913 . 0 0 "[ . 1 . 2]" 1
348 1 45 GLN H 1 45 GLN HE22 1.800 . 5.500 3.581 2.627 4.497 . 0 0 "[ . 1 . 2]" 1
349 1 45 GLN H 1 45 GLN QG 1.800 . 3.370 2.616 1.917 3.365 . 0 0 "[ . 1 . 2]" 1
350 1 45 GLN H 1 46 ASP H 1.800 . 3.480 3.048 2.985 3.119 . 0 0 "[ . 1 . 2]" 1
351 1 45 GLN H 1 46 ASP QB 1.800 . 5.500 5.086 4.873 5.242 . 0 0 "[ . 1 . 2]" 1
352 1 45 GLN H 1 47 GLY H 1.800 . 5.300 3.730 3.621 3.874 . 0 0 "[ . 1 . 2]" 1
353 1 45 GLN H 1 47 GLY QA 1.800 . 5.500 5.076 4.961 5.254 . 0 0 "[ . 1 . 2]" 1
354 1 45 GLN QB 1 46 ASP H 1.800 . 4.010 2.473 2.387 2.558 . 0 0 "[ . 1 . 2]" 1
355 1 45 GLN QG 1 46 ASP H 1.800 . 4.760 4.280 4.012 4.558 . 0 0 "[ . 1 . 2]" 1
356 1 46 ASP H 1 47 GLY H 1.800 . 4.070 2.223 2.146 2.325 . 0 0 "[ . 1 . 2]" 1
357 1 46 ASP H 1 47 GLY QA 1.800 . 5.010 4.121 4.069 4.206 . 0 0 "[ . 1 . 2]" 1
358 1 46 ASP QB 1 47 GLY H 1.800 . 5.500 3.366 3.340 3.410 . 0 0 "[ . 1 . 2]" 1
359 1 46 ASP QB 1 48 ASP H 1.800 . 4.500 2.798 2.645 3.069 . 0 0 "[ . 1 . 2]" 1
360 1 47 GLY H 1 48 ASP H 1.800 . 3.770 2.850 2.643 3.001 . 0 0 "[ . 1 . 2]" 1
361 1 47 GLY H 1 48 ASP QB 1.800 . 5.340 4.644 4.539 4.892 . 0 0 "[ . 1 . 2]" 1
362 1 47 GLY H 1 49 GLN QG 1.800 . 5.340 4.808 3.923 5.399 0.059 16 0 "[ . 1 . 2]" 1
363 1 47 GLY QA 1 49 GLN HE21 1.800 . 5.500 3.859 3.341 5.561 0.061 9 0 "[ . 1 . 2]" 1
364 1 47 GLY QA 1 49 GLN HE22 1.800 . 5.500 4.072 3.578 5.632 0.132 18 0 "[ . 1 . 2]" 1
365 1 48 ASP H 1 48 ASP QB 1.800 . 3.160 2.443 2.375 2.533 . 0 0 "[ . 1 . 2]" 1
366 1 48 ASP H 1 49 GLN H 1.800 . 3.690 1.973 1.908 2.031 . 0 0 "[ . 1 . 2]" 1
367 1 48 ASP H 1 49 GLN QE 1.800 . 5.340 2.512 1.912 4.170 . 0 0 "[ . 1 . 2]" 1
368 1 48 ASP QB 1 49 GLN H 1.800 . 5.500 3.085 2.937 3.230 . 0 0 "[ . 1 . 2]" 1
369 1 48 ASP QB 1 49 GLN QE 1.800 . 5.180 3.751 2.481 5.270 0.090 9 0 "[ . 1 . 2]" 1
370 1 49 GLN H 1 49 GLN QE 1.800 . 5.340 2.331 1.845 3.069 . 0 0 "[ . 1 . 2]" 1
371 1 49 GLN H 1 49 GLN QG 1.800 . 4.560 2.466 1.968 2.926 . 0 0 "[ . 1 . 2]" 1
372 1 50 GLU H 1 50 GLU QG 1.800 . 5.410 2.218 1.876 3.195 . 0 0 "[ . 1 . 2]" 1
373 1 51 LEU H 1 51 LEU QD 1.800 . 5.500 3.137 2.141 3.894 . 0 0 "[ . 1 . 2]" 1
374 1 51 LEU H 1 52 THR H 1.800 . 5.500 4.401 4.354 4.452 . 0 0 "[ . 1 . 2]" 1
375 1 52 THR H 1 52 THR MG 1.800 . 4.700 2.159 1.857 3.775 . 0 0 "[ . 1 . 2]" 1
376 1 52 THR H 1 53 GLU H 1.800 . 5.500 4.359 4.296 4.404 . 0 0 "[ . 1 . 2]" 1
377 1 52 THR H 1 53 GLU HA 1.800 . 5.500 5.601 5.547 5.662 0.162 4 0 "[ . 1 . 2]" 1
378 1 52 THR H 1 54 HIS H 1.800 . 5.500 5.654 5.560 5.742 0.242 7 0 "[ . 1 . 2]" 1
379 1 52 THR HA 1 54 HIS H 1.800 . 5.500 4.821 4.502 5.050 . 0 0 "[ . 1 . 2]" 1
380 1 52 THR HA 1 55 GLU H 1.800 . 5.500 5.378 5.249 5.488 . 0 0 "[ . 1 . 2]" 1
381 1 52 THR HA 1 57 GLN QE 1.800 . 5.340 5.570 5.450 5.732 0.392 11 0 "[ . 1 . 2]" 1
382 1 52 THR HG1 1 53 GLU H 1.800 . 5.500 2.738 1.986 4.452 . 0 0 "[ . 1 . 2]" 1
383 1 52 THR HG1 1 54 HIS H 1.800 . 5.500 3.473 2.132 5.396 . 0 0 "[ . 1 . 2]" 1
384 1 52 THR MG 1 53 GLU H 1.800 . 5.140 2.899 1.774 3.184 0.026 20 0 "[ . 1 . 2]" 1
385 1 52 THR MG 1 54 HIS H 1.800 . 4.910 2.805 1.824 3.058 . 0 0 "[ . 1 . 2]" 1
386 1 52 THR MG 1 57 GLN H 1.800 . 5.500 5.298 5.086 5.650 0.150 20 0 "[ . 1 . 2]" 1
387 1 53 GLU H 1 53 GLU QG 1.800 . 3.390 2.217 2.029 2.338 . 0 0 "[ . 1 . 2]" 1
388 1 53 GLU H 1 54 HIS H 1.800 . 4.460 2.715 2.559 2.922 . 0 0 "[ . 1 . 2]" 1
389 1 53 GLU H 1 54 HIS QB 1.800 . 5.340 4.593 4.315 4.864 . 0 0 "[ . 1 . 2]" 1
390 1 53 GLU H 1 56 HIS H 1.800 . 5.500 4.670 4.526 4.764 . 0 0 "[ . 1 . 2]" 1
391 1 53 GLU H 1 57 GLN H 1.800 . 5.500 5.620 5.564 5.716 0.216 9 0 "[ . 1 . 2]" 1
392 1 53 GLU HA 1 55 GLU H 1.800 . 5.240 4.899 4.833 5.012 . 0 0 "[ . 1 . 2]" 1
393 1 53 GLU HA 1 56 HIS H 1.800 . 5.500 3.690 3.452 3.939 . 0 0 "[ . 1 . 2]" 1
394 1 53 GLU QB 1 54 HIS H 1.800 . 4.740 2.444 2.101 3.328 . 0 0 "[ . 1 . 2]" 1
395 1 53 GLU QG 1 54 HIS H 1.800 . 4.200 3.541 1.862 4.015 . 0 0 "[ . 1 . 2]" 1
396 1 54 HIS H 1 54 HIS QB 1.800 . 3.920 2.444 2.289 2.667 . 0 0 "[ . 1 . 2]" 1
397 1 54 HIS H 1 55 GLU H 1.800 . 5.500 3.105 3.071 3.139 . 0 0 "[ . 1 . 2]" 1
398 1 54 HIS H 1 57 GLN H 1.800 . 4.510 4.648 4.583 4.692 0.182 15 0 "[ . 1 . 2]" 1
399 1 54 HIS H 1 57 GLN QB 1.800 . 5.500 4.711 4.512 5.325 . 0 0 "[ . 1 . 2]" 1
400 1 54 HIS H 1 57 GLN QE 1.800 . 5.340 4.264 3.998 4.822 . 0 0 "[ . 1 . 2]" 1
401 1 55 GLU H 1 55 GLU QB 1.800 . 3.800 2.335 2.165 2.447 . 0 0 "[ . 1 . 2]" 1
402 1 55 GLU H 1 55 GLU QG 1.800 . 4.490 2.723 1.989 4.065 . 0 0 "[ . 1 . 2]" 1
403 1 55 GLU H 1 57 GLN H 1.800 . 4.890 4.512 4.383 4.610 . 0 0 "[ . 1 . 2]" 1
404 1 55 GLU QG 1 56 HIS H 1.800 . 5.340 3.882 3.511 4.036 . 0 0 "[ . 1 . 2]" 1
405 1 57 GLN H 1 57 GLN QB 1.800 . 3.330 2.255 2.132 2.705 . 0 0 "[ . 1 . 2]" 1
406 1 57 GLN H 1 57 GLN QE 1.800 . 4.360 1.806 1.611 2.381 0.189 16 0 "[ . 1 . 2]" 1
407 1 57 GLN H 1 57 GLN QG 1.800 . 3.190 3.452 2.449 3.571 0.381 3 0 "[ . 1 . 2]" 1
408 1 57 GLN H 1 59 MET H 1.800 . 5.500 4.677 4.509 4.838 . 0 0 "[ . 1 . 2]" 1
409 1 57 GLN HA 1 57 GLN QE 1.800 . 5.340 2.977 2.373 3.337 . 0 0 "[ . 1 . 2]" 1
410 1 57 GLN HA 1 59 MET H 1.800 . 5.500 4.863 4.713 4.946 . 0 0 "[ . 1 . 2]" 1
411 1 57 GLN HA 1 61 ASP H 1.800 . 4.220 4.008 3.629 4.201 . 0 0 "[ . 1 . 2]" 1
412 1 57 GLN QB 1 57 GLN HE21 1.800 . 5.500 2.640 2.169 3.844 . 0 0 "[ . 1 . 2]" 1
413 1 57 GLN QB 1 61 ASP H 1.800 . 4.830 4.802 4.641 4.917 0.087 2 0 "[ . 1 . 2]" 1
414 1 57 GLN QE 1 60 ARG H 1.800 . 5.240 5.375 5.015 5.563 0.323 15 0 "[ . 1 . 2]" 1
415 1 57 GLN HE21 1 60 ARG QD 1.800 . 5.500 5.113 4.103 5.627 0.127 9 0 "[ . 1 . 2]" 1
416 1 57 GLN HE22 1 60 ARG QD 1.800 . 5.500 5.197 4.454 5.646 0.146 19 0 "[ . 1 . 2]" 1
417 1 58 GLN HA 1 62 ASP H 1.800 . 5.500 4.514 4.189 4.706 . 0 0 "[ . 1 . 2]" 1
418 1 59 MET H 1 59 MET ME 1.800 . 5.130 3.373 2.711 5.479 0.349 9 0 "[ . 1 . 2]" 1
419 1 59 MET H 1 59 MET QG 1.800 . 4.780 2.189 1.868 4.069 . 0 0 "[ . 1 . 2]" 1
420 1 59 MET H 1 60 ARG H 1.800 . 4.220 2.669 2.621 2.756 . 0 0 "[ . 1 . 2]" 1
421 1 59 MET H 1 60 ARG HA 1.800 . 5.500 5.280 5.245 5.403 . 0 0 "[ . 1 . 2]" 1
422 1 59 MET H 1 61 ASP H 1.800 . 5.500 4.568 4.480 4.686 . 0 0 "[ . 1 . 2]" 1
423 1 59 MET H 1 62 ASP H 1.800 . 5.500 4.834 4.691 4.928 . 0 0 "[ . 1 . 2]" 1
424 1 59 MET HA 1 62 ASP H 1.800 . 5.500 3.342 3.196 3.487 . 0 0 "[ . 1 . 2]" 1
425 1 59 MET QB 1 60 ARG H 1.800 . 4.920 2.769 2.393 3.560 . 0 0 "[ . 1 . 2]" 1
426 1 59 MET QB 1 62 ASP H 1.800 . 5.500 4.774 4.622 4.966 . 0 0 "[ . 1 . 2]" 1
427 1 59 MET ME 1 60 ARG H 1.800 . 4.620 4.551 2.851 5.005 0.385 2 0 "[ . 1 . 2]" 1
428 1 59 MET ME 1 62 ASP H 1.800 . 5.500 5.001 4.686 5.774 0.274 19 0 "[ . 1 . 2]" 1
429 1 59 MET QG 1 60 ARG H 1.800 . 3.680 3.668 2.091 3.990 0.310 16 0 "[ . 1 . 2]" 1
430 1 59 MET QG 1 61 ASP H 1.800 . 6.000 5.776 4.681 6.031 0.031 13 0 "[ . 1 . 2]" 1
431 1 60 ARG H 1 60 ARG QB 1.800 . 3.200 2.225 2.171 2.247 . 0 0 "[ . 1 . 2]" 1
432 1 60 ARG H 1 60 ARG QD 1.800 . 4.530 4.600 4.404 4.687 0.157 5 0 "[ . 1 . 2]" 1
433 1 60 ARG H 1 60 ARG QG 1.800 . 3.730 3.970 3.914 4.011 0.281 15 0 "[ . 1 . 2]" 1
434 1 60 ARG H 1 61 ASP H 1.800 . 3.660 2.913 2.887 2.957 . 0 0 "[ . 1 . 2]" 1
435 1 60 ARG H 1 61 ASP HA 1.800 . 5.500 5.465 5.423 5.499 . 0 0 "[ . 1 . 2]" 1
436 1 60 ARG H 1 61 ASP QB 1.800 . 4.640 4.652 4.537 4.718 0.078 1 0 "[ . 1 . 2]" 1
437 1 60 ARG H 1 62 ASP H 1.800 . 5.450 4.043 3.949 4.170 . 0 0 "[ . 1 . 2]" 1
438 1 60 ARG HA 1 62 ASP H 1.800 . 5.500 4.350 4.224 4.550 . 0 0 "[ . 1 . 2]" 1
439 1 60 ARG HA 1 63 LEU H 1.800 . 4.370 3.420 3.282 3.688 . 0 0 "[ . 1 . 2]" 1
440 1 60 ARG HA 1 64 GLU H 1.800 . 4.710 4.255 3.845 4.607 . 0 0 "[ . 1 . 2]" 1
441 1 60 ARG QD 1 64 GLU H 1.800 . 6.000 6.271 6.179 6.322 0.322 9 0 "[ . 1 . 2]" 1
442 1 60 ARG HE 1 61 ASP H 1.800 . 5.500 4.503 3.646 5.707 0.207 20 0 "[ . 1 . 2]" 1
443 1 60 ARG QG 1 61 ASP H 1.800 . 4.350 3.541 3.271 3.672 . 0 0 "[ . 1 . 2]" 1
444 1 61 ASP H 1 61 ASP QB 1.800 . 2.840 2.304 2.198 2.401 . 0 0 "[ . 1 . 2]" 1
445 1 61 ASP H 1 62 ASP H 1.800 . 3.320 2.704 2.650 2.771 . 0 0 "[ . 1 . 2]" 1
446 1 61 ASP HA 1 64 GLU H 1.800 . 4.190 3.597 3.446 3.695 . 0 0 "[ . 1 . 2]" 1
447 1 61 ASP HA 1 65 LYS H 1.800 . 5.320 4.293 3.920 4.490 . 0 0 "[ . 1 . 2]" 1
448 1 62 ASP H 1 62 ASP QB 1.800 . 3.030 2.439 2.265 2.555 . 0 0 "[ . 1 . 2]" 1
449 1 62 ASP H 1 63 LEU H 1.800 . 3.300 2.556 2.449 2.794 . 0 0 "[ . 1 . 2]" 1
450 1 62 ASP H 1 63 LEU QD 1.800 . 5.250 5.399 4.294 5.596 0.346 5 0 "[ . 1 . 2]" 1
451 1 62 ASP H 1 65 LYS QB 1.800 . 4.870 4.943 4.884 5.020 0.150 20 0 "[ . 1 . 2]" 1
452 1 62 ASP HA 1 64 GLU H 1.800 . 4.910 4.685 4.543 4.837 . 0 0 "[ . 1 . 2]" 1
453 1 62 ASP HA 1 65 LYS H 1.800 . 4.280 3.633 3.478 3.914 . 0 0 "[ . 1 . 2]" 1
454 1 62 ASP HA 1 66 GLU H 1.800 . 4.840 4.120 3.867 4.382 . 0 0 "[ . 1 . 2]" 1
455 1 62 ASP QB 1 63 LEU H 1.800 . 3.810 2.587 2.396 2.686 . 0 0 "[ . 1 . 2]" 1
456 1 62 ASP QB 1 64 GLU H 1.800 . 5.320 4.951 4.832 5.044 . 0 0 "[ . 1 . 2]" 1
457 1 62 ASP QB 1 65 LYS H 1.800 . 5.340 5.068 4.918 5.243 . 0 0 "[ . 1 . 2]" 1
458 1 62 ASP QB 1 66 GLU H 1.800 . 5.340 4.821 4.399 5.382 0.042 8 0 "[ . 1 . 2]" 1
459 1 63 LEU H 1 63 LEU QB 1.800 . 2.800 2.209 2.143 2.263 . 0 0 "[ . 1 . 2]" 1
460 1 63 LEU H 1 63 LEU QD 1.800 . 3.690 3.616 2.505 3.795 0.105 11 0 "[ . 1 . 2]" 1
461 1 63 LEU H 1 64 GLU H 1.800 . 3.310 2.831 2.771 2.870 . 0 0 "[ . 1 . 2]" 1
462 1 63 LEU H 1 65 LYS H 1.800 . 5.340 4.249 4.163 4.343 . 0 0 "[ . 1 . 2]" 1
463 1 63 LEU QB 1 64 GLU H 1.800 . 3.250 2.431 2.353 2.783 . 0 0 "[ . 1 . 2]" 1
464 1 63 LEU QD 1 64 GLU H 1.800 . 4.370 3.810 3.466 4.123 . 0 0 "[ . 1 . 2]" 1
465 1 63 LEU QD 1 65 LYS H 1.800 . 5.440 5.330 4.805 5.548 0.108 15 0 "[ . 1 . 2]" 1
466 1 63 LEU QD 1 66 GLU H 1.800 . 5.440 4.722 4.008 5.255 . 0 0 "[ . 1 . 2]" 1
467 1 64 GLU H 1 64 GLU QB 1.800 . 2.900 2.345 2.170 2.489 . 0 0 "[ . 1 . 2]" 1
468 1 64 GLU H 1 64 GLU QG 1.800 . 3.920 2.855 2.040 4.049 0.129 18 0 "[ . 1 . 2]" 1
469 1 64 GLU H 1 65 LYS H 1.800 . 3.570 2.799 2.754 2.894 . 0 0 "[ . 1 . 2]" 1
470 1 64 GLU QB 1 65 LYS H 1.800 . 3.680 2.474 2.415 2.572 . 0 0 "[ . 1 . 2]" 1
471 1 64 GLU QG 1 65 LYS H 1.800 . 4.570 3.903 3.621 4.118 . 0 0 "[ . 1 . 2]" 1
472 1 65 LYS H 1 65 LYS QB 1.800 . 3.170 2.312 2.108 2.379 . 0 0 "[ . 1 . 2]" 1
473 1 65 LYS H 1 65 LYS QD 1.800 . 4.070 3.865 3.699 4.188 0.118 2 0 "[ . 1 . 2]" 1
474 1 65 LYS H 1 65 LYS QE 1.800 . 5.500 4.715 4.432 5.786 0.286 2 0 "[ . 1 . 2]" 1
475 1 65 LYS H 1 66 GLU H 1.800 . 4.040 2.781 2.714 2.950 . 0 0 "[ . 1 . 2]" 1
476 1 65 LYS H 1 66 GLU QG 1.800 . 5.340 4.667 4.158 5.431 0.091 12 0 "[ . 1 . 2]" 1
477 1 65 LYS HA 1 68 GLU H 1.800 . 5.150 3.791 3.462 4.000 . 0 0 "[ . 1 . 2]" 1
478 1 65 LYS QB 1 66 GLU H 1.800 . 3.680 2.551 2.418 2.678 . 0 0 "[ . 1 . 2]" 1
479 1 66 GLU H 1 66 GLU QB 1.800 . 3.130 2.329 2.128 2.587 . 0 0 "[ . 1 . 2]" 1
480 1 66 GLU H 1 66 GLU QG 1.800 . 4.030 2.519 2.013 3.382 . 0 0 "[ . 1 . 2]" 1
481 1 66 GLU H 1 68 GLU H 1.800 . 4.560 4.288 4.078 4.623 0.063 12 0 "[ . 1 . 2]" 1
482 1 66 GLU H 1 69 ASP H 1.800 . 5.500 5.209 4.737 5.537 0.037 6 0 "[ . 1 . 2]" 1
483 1 66 GLU QB 1 67 ARG H 1.800 . 3.760 2.751 2.435 3.499 . 0 0 "[ . 1 . 2]" 1
484 1 66 GLU QG 1 67 ARG H 1.800 . 4.920 3.832 1.947 4.322 . 0 0 "[ . 1 . 2]" 1
485 1 67 ARG H 1 67 ARG QD 1.800 . 5.020 4.119 3.725 4.792 . 0 0 "[ . 1 . 2]" 1
486 1 67 ARG H 1 67 ARG QG 1.800 . 3.460 2.704 2.009 3.882 0.422 19 0 "[ . 1 . 2]" 1
487 1 67 ARG H 1 68 GLU H 1.800 . 4.510 2.872 2.791 2.965 . 0 0 "[ . 1 . 2]" 1
488 1 67 ARG QD 1 68 GLU H 1.800 . 5.500 5.047 4.583 5.522 0.022 4 0 "[ . 1 . 2]" 1
489 1 67 ARG QG 1 68 GLU H 1.800 . 5.340 4.208 3.854 4.495 . 0 0 "[ . 1 . 2]" 1
490 1 68 GLU H 1 68 GLU QB 1.800 . 3.580 2.348 2.238 2.649 . 0 0 "[ . 1 . 2]" 1
491 1 68 GLU H 1 68 GLU QG 1.800 . 4.630 3.153 1.859 4.085 . 0 0 "[ . 1 . 2]" 1
492 1 68 GLU H 1 69 ASP QB 1.800 . 5.340 4.723 4.369 4.906 . 0 0 "[ . 1 . 2]" 1
493 1 68 GLU H 1 70 LEU QB 1.800 . 5.500 4.610 4.164 5.117 . 0 0 "[ . 1 . 2]" 1
494 1 68 GLU QB 1 69 ASP H 1.800 . 3.890 2.181 2.009 3.538 . 0 0 "[ . 1 . 2]" 1
495 1 68 GLU QB 1 70 LEU H 1.800 . 5.340 4.489 4.092 5.417 0.077 12 0 "[ . 1 . 2]" 1
496 1 68 GLU QG 1 69 ASP H 1.800 . 5.320 3.475 2.265 4.093 . 0 0 "[ . 1 . 2]" 1
497 1 68 GLU QG 1 70 LEU H 1.800 . 5.340 5.264 4.549 5.608 0.268 15 0 "[ . 1 . 2]" 1
498 1 69 ASP H 1 69 ASP QB 1.800 . 3.430 2.471 2.270 2.612 . 0 0 "[ . 1 . 2]" 1
499 1 69 ASP H 1 70 LEU H 1.800 . 4.090 2.817 2.428 2.928 . 0 0 "[ . 1 . 2]" 1
500 1 69 ASP H 1 70 LEU QB 1.800 . 5.500 4.563 4.220 4.783 . 0 0 "[ . 1 . 2]" 1
501 1 69 ASP QB 1 70 LEU H 1.800 . 4.340 2.645 2.316 3.131 . 0 0 "[ . 1 . 2]" 1
502 1 70 LEU H 1 70 LEU QB 1.800 . 3.080 2.267 2.174 2.338 . 0 0 "[ . 1 . 2]" 1
503 1 70 LEU H 1 70 LEU QD 1.800 . 4.070 3.635 2.176 3.826 . 0 0 "[ . 1 . 2]" 1
504 1 70 LEU H 1 71 ASP H 1.800 . 4.270 2.727 2.591 2.885 . 0 0 "[ . 1 . 2]" 1
505 1 70 LEU HA 1 71 ASP H 1.800 . 3.480 3.541 3.507 3.569 0.089 17 0 "[ . 1 . 2]" 1
506 1 70 LEU QB 1 71 ASP H 1.800 . 4.670 2.614 2.457 2.767 . 0 0 "[ . 1 . 2]" 1
507 1 70 LEU QD 1 71 ASP H 1.800 . 5.300 4.003 3.833 4.252 . 0 0 "[ . 1 . 2]" 1
508 1 71 ASP H 1 71 ASP QB 1.800 . 3.550 2.377 2.260 2.735 . 0 0 "[ . 1 . 2]" 1
509 1 71 ASP H 1 72 LEU H 1.800 . 4.580 2.750 2.394 2.893 . 0 0 "[ . 1 . 2]" 1
510 1 71 ASP H 1 72 LEU QB 1.800 . 4.550 4.576 4.367 4.622 0.072 20 0 "[ . 1 . 2]" 1
511 1 71 ASP QB 1 72 LEU H 1.800 . 4.230 2.403 2.076 3.282 . 0 0 "[ . 1 . 2]" 1
512 1 72 LEU H 1 72 LEU QB 1.800 . 3.450 2.314 2.216 2.546 . 0 0 "[ . 1 . 2]" 1
513 1 72 LEU H 1 72 LEU QD 1.800 . 5.140 2.815 2.054 3.778 . 0 0 "[ . 1 . 2]" 1
514 1 72 LEU QD 1 73 ASP H 1.800 . 5.440 4.014 3.645 4.468 . 0 0 "[ . 1 . 2]" 1
515 1 76 SER QB 1 77 LEU H 1.800 . 5.500 3.049 2.480 3.850 . 0 0 "[ . 1 . 2]" 1
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