NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593566 |
2n19   |
25552 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n19
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 393
_Distance_constraint_stats_list.Viol_count 382
_Distance_constraint_stats_list.Viol_total 436.399
_Distance_constraint_stats_list.Viol_max 0.279
_Distance_constraint_stats_list.Viol_rms 0.0158
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0571
_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 4 GLN 0.047 0.035 19 0 "[ . 1 . 2]"
1 5 LEU 0.076 0.076 19 0 "[ . 1 . 2]"
1 6 LEU 0.182 0.076 19 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.035 0.035 18 0 "[ . 1 . 2]"
1 10 PHE 0.035 0.035 18 0 "[ . 1 . 2]"
1 11 VAL 0.235 0.074 8 0 "[ . 1 . 2]"
1 12 LYS 0.031 0.031 15 0 "[ . 1 . 2]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 1.172 0.204 17 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TRP 1.536 0.132 12 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 THR 0.387 0.090 11 0 "[ . 1 . 2]"
1 19 GLN 0.496 0.111 6 0 "[ . 1 . 2]"
1 20 LEU 0.858 0.111 6 0 "[ . 1 . 2]"
1 21 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLY 0.324 0.050 16 0 "[ . 1 . 2]"
1 24 ALA 1.306 0.122 11 0 "[ . 1 . 2]"
1 25 VAL 0.297 0.079 1 0 "[ . 1 . 2]"
1 26 TRP 2.046 0.122 11 0 "[ . 1 . 2]"
1 27 VAL 1.518 0.204 17 0 "[ . 1 . 2]"
1 28 GLN 2.003 0.119 20 0 "[ . 1 . 2]"
1 29 PHE 0.181 0.078 20 0 "[ . 1 . 2]"
1 30 ASN 0.047 0.039 8 0 "[ . 1 . 2]"
1 31 ASP 0.004 0.004 11 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 SER 0.602 0.132 12 0 "[ . 1 . 2]"
1 34 GLN 0.091 0.091 19 0 "[ . 1 . 2]"
1 35 LEU 5.211 0.232 2 0 "[ . 1 . 2]"
1 36 VAL 0.382 0.072 5 0 "[ . 1 . 2]"
1 37 VAL 2.152 0.176 12 0 "[ . 1 . 2]"
1 38 GLN 0.296 0.279 12 0 "[ . 1 . 2]"
1 39 ALA 1.132 0.176 12 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 VAL 0.737 0.279 12 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.932 0.172 13 0 "[ . 1 . 2]"
1 44 ILE 1.397 0.168 12 0 "[ . 1 . 2]"
1 45 SER 1.263 0.168 5 0 "[ . 1 . 2]"
1 46 TYR 0.208 0.061 5 0 "[ . 1 . 2]"
1 47 THR 0.304 0.060 10 0 "[ . 1 . 2]"
1 48 SER 0.092 0.062 19 0 "[ . 1 . 2]"
1 51 GLY 0.116 0.040 5 0 "[ . 1 . 2]"
1 52 GLN 0.062 0.062 19 0 "[ . 1 . 2]"
1 53 THR 0.085 0.040 5 0 "[ . 1 . 2]"
1 54 THR 0.035 0.033 2 0 "[ . 1 . 2]"
1 55 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 TYR 0.400 0.073 4 0 "[ . 1 . 2]"
1 57 GLY 0.391 0.099 20 0 "[ . 1 . 2]"
1 58 GLU 0.418 0.101 5 0 "[ . 1 . 2]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 0.626 0.111 1 0 "[ . 1 . 2]"
1 61 LYS 0.916 0.238 8 0 "[ . 1 . 2]"
1 62 LEU 3.869 0.238 8 0 "[ . 1 . 2]"
1 65 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ILE 0.851 0.134 1 0 "[ . 1 . 2]"
1 67 LYS 0.258 0.089 3 0 "[ . 1 . 2]"
1 68 GLN 1.615 0.154 10 0 "[ . 1 . 2]"
1 69 LYS 1.693 0.227 13 0 "[ . 1 . 2]"
1 70 LEU 2.351 0.227 13 0 "[ . 1 . 2]"
1 71 GLN 0.149 0.052 4 0 "[ . 1 . 2]"
1 72 CYS 1.119 0.232 2 0 "[ . 1 . 2]"
1 73 LEU 0.564 0.124 10 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ILE 0.222 0.066 3 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.222 0.066 3 0 "[ . 1 . 2]"
1 79 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 HIS 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 16 TRP HE1 1 30 ASN H . . 5.810 4.422 3.448 5.667 . 0 0 "[ . 1 . 2]" 1
2 1 16 TRP HE1 1 28 GLN H . . 6.460 5.889 4.896 6.365 . 0 0 "[ . 1 . 2]" 1
3 1 26 TRP H 1 27 VAL H . . 5.550 4.291 4.227 4.349 . 0 0 "[ . 1 . 2]" 1
4 1 27 VAL H 1 35 LEU MD1 . . 6.230 4.538 2.588 5.224 . 0 0 "[ . 1 . 2]" 1
5 1 27 VAL H 1 35 LEU MD2 . . 6.230 4.626 3.181 5.327 . 0 0 "[ . 1 . 2]" 1
6 1 9 VAL H 1 11 VAL H . . 6.500 6.232 5.929 6.419 . 0 0 "[ . 1 . 2]" 1
7 1 11 VAL H 1 15 GLY H . . 4.570 3.297 3.102 3.510 . 0 0 "[ . 1 . 2]" 1
8 1 18 THR H 1 26 TRP H . . 4.080 3.010 2.553 3.331 . 0 0 "[ . 1 . 2]" 1
9 1 36 VAL H 1 46 TYR H . . 5.320 4.814 4.642 5.057 . 0 0 "[ . 1 . 2]" 1
10 1 46 TYR H 1 47 THR H . . 5.180 4.427 4.365 4.469 . 0 0 "[ . 1 . 2]" 1
11 1 45 SER H 1 46 TYR H . . 5.390 4.275 4.207 4.325 . 0 0 "[ . 1 . 2]" 1
12 1 35 LEU MD1 1 46 TYR H . . 6.500 5.950 5.318 6.439 . 0 0 "[ . 1 . 2]" 1
13 1 35 LEU MD2 1 46 TYR H . . 6.500 5.842 4.968 6.554 0.054 7 0 "[ . 1 . 2]" 1
14 1 44 ILE MD 1 46 TYR H . . 6.500 5.083 2.819 6.561 0.061 5 0 "[ . 1 . 2]" 1
15 1 20 LEU MD1 1 26 TRP H . . 5.590 4.149 2.557 5.477 . 0 0 "[ . 1 . 2]" 1
16 1 26 TRP HE1 1 27 VAL H . . 5.840 5.137 4.881 5.412 . 0 0 "[ . 1 . 2]" 1
17 1 26 TRP HE1 1 35 LEU H . . 5.410 4.345 3.524 5.195 . 0 0 "[ . 1 . 2]" 1
18 1 11 VAL H 1 12 LYS H . . 4.750 4.320 4.244 4.405 . 0 0 "[ . 1 . 2]" 1
19 1 27 VAL H 1 37 VAL H . . 6.500 4.231 3.814 4.608 . 0 0 "[ . 1 . 2]" 1
20 1 9 VAL H 1 19 GLN H . . 6.490 4.874 4.618 5.275 . 0 0 "[ . 1 . 2]" 1
21 1 19 GLN H 1 26 TRP H . . 5.910 5.008 4.848 5.151 . 0 0 "[ . 1 . 2]" 1
22 1 18 THR H 1 19 GLN H . . 5.490 4.382 4.317 4.445 . 0 0 "[ . 1 . 2]" 1
23 1 36 VAL H 1 37 VAL H . . 6.110 4.319 4.252 4.392 . 0 0 "[ . 1 . 2]" 1
24 1 19 GLN H 1 20 LEU H . . 4.980 4.383 4.312 4.525 . 0 0 "[ . 1 . 2]" 1
25 1 25 VAL H 1 37 VAL H . . 4.280 3.315 2.971 3.616 . 0 0 "[ . 1 . 2]" 1
26 1 8 SER H 1 19 GLN H . . 6.030 5.436 4.994 6.018 . 0 0 "[ . 1 . 2]" 1
27 1 51 GLY H 1 53 THR H . . 6.500 6.260 5.820 6.540 0.040 5 0 "[ . 1 . 2]" 1
28 1 19 GLN H 1 20 LEU MD2 . . 6.500 5.015 3.763 6.611 0.111 6 0 "[ . 1 . 2]" 1
29 1 19 GLN H 1 20 LEU MD1 . . 6.500 5.007 3.842 6.544 0.044 16 0 "[ . 1 . 2]" 1
30 1 27 VAL H 1 28 GLN H . . 6.210 4.264 4.204 4.367 . 0 0 "[ . 1 . 2]" 1
31 1 17 ALA H 1 28 GLN H . . 6.410 4.873 4.736 5.009 . 0 0 "[ . 1 . 2]" 1
32 1 26 TRP H 1 28 GLN H . . 6.500 6.528 6.402 6.619 0.119 20 0 "[ . 1 . 2]" 1
33 1 28 GLN H 1 35 LEU H . . 6.060 4.649 4.466 4.813 . 0 0 "[ . 1 . 2]" 1
34 1 28 GLN H 1 35 LEU MD2 . . 6.500 5.971 4.334 6.611 0.111 1 0 "[ . 1 . 2]" 1
35 1 27 VAL MG2 1 28 GLN H . . 4.900 3.813 2.866 4.184 . 0 0 "[ . 1 . 2]" 1
36 1 27 VAL MG1 1 28 GLN H . . 4.900 3.188 2.687 4.175 . 0 0 "[ . 1 . 2]" 1
37 1 20 LEU H 1 26 TRP H . . 5.110 4.127 3.765 4.453 . 0 0 "[ . 1 . 2]" 1
38 1 18 THR H 1 20 LEU H . . 6.500 6.088 5.904 6.445 . 0 0 "[ . 1 . 2]" 1
39 1 20 LEU H 1 21 THR H . . 5.140 4.545 4.449 4.603 . 0 0 "[ . 1 . 2]" 1
40 1 20 LEU H 1 23 GLY H . . 4.870 4.415 4.287 4.650 . 0 0 "[ . 1 . 2]" 1
41 1 20 LEU H 1 22 SER H . . 6.290 4.879 4.716 5.063 . 0 0 "[ . 1 . 2]" 1
42 1 20 LEU H 1 24 ALA H . . 4.570 3.825 3.561 4.130 . 0 0 "[ . 1 . 2]" 1
43 1 20 LEU H 1 20 LEU MD1 . . 4.580 3.254 2.284 3.778 . 0 0 "[ . 1 . 2]" 1
44 1 60 GLU H 1 62 LEU H . . 6.310 6.171 5.592 6.421 0.111 1 0 "[ . 1 . 2]" 1
45 1 62 LEU H 1 62 LEU MD1 . . 4.320 3.597 2.907 4.073 . 0 0 "[ . 1 . 2]" 1
46 1 62 LEU H 1 62 LEU MD2 . . 4.320 3.168 1.817 4.312 . 0 0 "[ . 1 . 2]" 1
47 1 54 THR H 1 55 ARG H . . 4.630 4.398 4.336 4.475 . 0 0 "[ . 1 . 2]" 1
48 1 46 TYR H 1 55 ARG H . . 5.300 4.766 4.494 5.024 . 0 0 "[ . 1 . 2]" 1
49 1 37 VAL H 1 39 ALA H . . 6.500 6.508 6.375 6.676 0.176 12 0 "[ . 1 . 2]" 1
50 1 55 ARG H 1 56 TYR H . . 4.980 4.436 4.363 4.481 . 0 0 "[ . 1 . 2]" 1
51 1 39 ALA H 1 40 GLY H . . 4.590 4.542 4.522 4.553 . 0 0 "[ . 1 . 2]" 1
52 1 39 ALA H 1 41 VAL H . . 5.550 4.667 4.465 5.017 . 0 0 "[ . 1 . 2]" 1
53 1 24 ALA H 1 39 ALA H . . 5.670 4.972 4.556 5.330 . 0 0 "[ . 1 . 2]" 1
54 1 37 VAL MG1 1 39 ALA H . . 6.500 4.478 3.950 5.444 . 0 0 "[ . 1 . 2]" 1
55 1 37 VAL MG2 1 39 ALA H . . 6.500 5.865 4.216 6.582 0.082 6 0 "[ . 1 . 2]" 1
56 1 9 VAL H 1 10 PHE H . . 5.130 4.427 4.382 4.497 . 0 0 "[ . 1 . 2]" 1
57 1 10 PHE H 1 17 ALA H . . 5.650 4.715 4.611 4.824 . 0 0 "[ . 1 . 2]" 1
58 1 9 VAL MG1 1 10 PHE H . . 4.320 2.678 2.325 3.791 . 0 0 "[ . 1 . 2]" 1
59 1 36 VAL H 1 47 THR H . . 5.200 4.568 4.218 4.857 . 0 0 "[ . 1 . 2]" 1
60 1 45 SER H 1 47 THR H . . 6.500 6.467 6.331 6.560 0.060 10 0 "[ . 1 . 2]" 1
61 1 38 GLN H 1 41 VAL H . . 6.500 4.653 4.309 5.015 . 0 0 "[ . 1 . 2]" 1
62 1 37 VAL MG2 1 38 GLN H . . 5.230 3.524 2.269 4.217 . 0 0 "[ . 1 . 2]" 1
63 1 37 VAL H 1 38 GLN H . . 6.500 4.388 4.340 4.454 . 0 0 "[ . 1 . 2]" 1
64 1 38 GLN H 1 43 SER H . . 5.760 5.060 3.432 5.778 0.018 11 0 "[ . 1 . 2]" 1
65 1 38 GLN H 1 41 VAL MG2 . . 5.780 4.249 2.412 5.274 . 0 0 "[ . 1 . 2]" 1
66 1 46 TYR H 1 54 THR H . . 4.090 3.411 3.112 3.753 . 0 0 "[ . 1 . 2]" 1
67 1 53 THR H 1 54 THR H . . 5.450 4.410 4.371 4.479 . 0 0 "[ . 1 . 2]" 1
68 1 47 THR H 1 54 THR H . . 5.650 4.874 4.798 5.016 . 0 0 "[ . 1 . 2]" 1
69 1 48 SER H 1 54 THR H . . 5.490 4.328 3.947 4.802 . 0 0 "[ . 1 . 2]" 1
70 1 9 VAL H 1 17 ALA H . . 4.000 2.864 2.592 3.347 . 0 0 "[ . 1 . 2]" 1
71 1 61 LYS H 1 62 LEU H . . 4.670 4.461 4.352 4.579 . 0 0 "[ . 1 . 2]" 1
72 1 11 VAL H 1 17 ALA H . . 5.750 4.184 3.838 4.436 . 0 0 "[ . 1 . 2]" 1
73 1 75 SER H 1 76 ILE H . . 4.370 2.665 2.576 2.739 . 0 0 "[ . 1 . 2]" 1
74 1 74 SER H 1 76 ILE H . . 5.250 4.383 4.100 4.735 . 0 0 "[ . 1 . 2]" 1
75 1 76 ILE H 1 79 MET H . . 4.980 4.586 4.508 4.667 . 0 0 "[ . 1 . 2]" 1
76 1 60 GLU H 1 61 LYS H . . 4.580 4.428 3.934 4.544 . 0 0 "[ . 1 . 2]" 1
77 1 76 ILE H 1 78 LEU H . . 4.580 4.000 3.828 4.158 . 0 0 "[ . 1 . 2]" 1
78 1 9 VAL H 1 9 VAL MG2 . . 4.040 2.565 2.055 2.849 . 0 0 "[ . 1 . 2]" 1
79 1 9 VAL MG1 1 17 ALA H . . 5.650 4.521 3.813 5.147 . 0 0 "[ . 1 . 2]" 1
80 1 9 VAL MG2 1 17 ALA H . . 5.650 4.383 2.853 5.296 . 0 0 "[ . 1 . 2]" 1
81 1 76 ILE H 1 76 ILE MD . . 5.280 3.476 1.791 4.477 . 0 0 "[ . 1 . 2]" 1
82 1 61 LYS H 1 62 LEU MD1 . . 6.500 5.707 4.380 6.610 0.110 15 0 "[ . 1 . 2]" 1
83 1 61 LYS H 1 62 LEU MD2 . . 6.500 5.209 4.211 6.738 0.238 8 0 "[ . 1 . 2]" 1
84 1 54 THR H 1 56 TYR H . . 6.500 6.346 6.116 6.533 0.033 2 0 "[ . 1 . 2]" 1
85 1 5 LEU H 1 5 LEU MD1 . . 4.980 3.606 2.057 4.366 . 0 0 "[ . 1 . 2]" 1
86 1 5 LEU H 1 5 LEU MD2 . . 4.980 3.464 1.366 4.625 . 0 0 "[ . 1 . 2]" 1
87 1 56 TYR H 1 62 LEU MD2 . . 6.500 5.521 4.375 6.558 0.058 20 0 "[ . 1 . 2]" 1
88 1 27 VAL H 1 36 VAL H . . 6.500 4.896 4.757 5.015 . 0 0 "[ . 1 . 2]" 1
89 1 46 TYR H 1 56 TYR H . . 5.730 3.901 3.587 4.392 . 0 0 "[ . 1 . 2]" 1
90 1 24 ALA H 1 26 TRP H . . 6.500 6.557 6.491 6.622 0.122 11 0 "[ . 1 . 2]" 1
91 1 24 ALA H 1 25 VAL H . . 5.410 4.537 4.501 4.601 . 0 0 "[ . 1 . 2]" 1
92 1 36 VAL H 1 45 SER H . . 3.860 2.933 2.744 3.289 . 0 0 "[ . 1 . 2]" 1
93 1 23 GLY H 1 24 ALA H . . 3.530 2.361 2.295 2.426 . 0 0 "[ . 1 . 2]" 1
94 1 22 SER H 1 24 ALA H . . 4.970 3.434 3.288 3.565 . 0 0 "[ . 1 . 2]" 1
95 1 36 VAL H 1 36 VAL MG2 . . 4.660 2.687 1.994 3.851 . 0 0 "[ . 1 . 2]" 1
96 1 44 ILE MD 1 56 TYR H . . 5.730 4.076 2.777 5.565 . 0 0 "[ . 1 . 2]" 1
97 1 20 LEU MD2 1 24 ALA H . . 5.470 4.324 3.791 5.369 . 0 0 "[ . 1 . 2]" 1
98 1 6 LEU H 1 6 LEU MD2 . . 4.770 2.988 1.673 4.829 0.059 19 0 "[ . 1 . 2]" 1
99 1 36 VAL H 1 36 VAL MG1 . . 4.660 3.547 1.996 3.886 . 0 0 "[ . 1 . 2]" 1
100 1 20 LEU MD1 1 24 ALA H . . 5.470 4.516 3.725 5.373 . 0 0 "[ . 1 . 2]" 1
101 1 48 SER H 1 53 THR H . . 5.980 4.574 4.336 4.804 . 0 0 "[ . 1 . 2]" 1
102 1 48 SER H 1 51 GLY H . . 5.180 4.643 4.150 5.211 0.031 10 0 "[ . 1 . 2]" 1
103 1 48 SER H 1 52 GLN H . . 3.760 3.307 2.869 3.822 0.062 19 0 "[ . 1 . 2]" 1
104 1 16 TRP HE1 1 29 PHE H . . 5.400 4.990 4.541 5.408 0.008 4 0 "[ . 1 . 2]" 1
105 1 29 PHE H 1 35 LEU H . . 5.500 4.894 4.147 5.463 . 0 0 "[ . 1 . 2]" 1
106 1 28 GLN H 1 29 PHE H . . 4.850 4.513 4.481 4.559 . 0 0 "[ . 1 . 2]" 1
107 1 7 LYS H 1 8 SER H . . 4.830 2.712 1.796 4.207 . 0 0 "[ . 1 . 2]" 1
108 1 29 PHE H 1 33 SER H . . 5.060 3.445 3.200 3.851 . 0 0 "[ . 1 . 2]" 1
109 1 66 ILE H 1 70 LEU H . . 6.010 5.920 5.726 6.017 0.007 2 0 "[ . 1 . 2]" 1
110 1 65 TYR H 1 66 ILE H . . 4.130 2.683 2.576 2.796 . 0 0 "[ . 1 . 2]" 1
111 1 80 PHE H 1 82 ASN H . . 5.390 4.271 3.991 4.616 . 0 0 "[ . 1 . 2]" 1
112 1 66 ILE H 1 67 LYS H . . 3.420 2.573 2.479 2.670 . 0 0 "[ . 1 . 2]" 1
113 1 29 PHE H 1 31 ASP H . . 5.140 4.609 4.282 4.916 . 0 0 "[ . 1 . 2]" 1
114 1 29 PHE H 1 32 GLY H . . 5.400 4.006 3.605 4.428 . 0 0 "[ . 1 . 2]" 1
115 1 62 LEU MD1 1 66 ILE H . . 6.210 5.371 4.194 6.251 0.041 16 0 "[ . 1 . 2]" 1
116 1 62 LEU MD2 1 66 ILE H . . 6.210 5.694 4.883 6.344 0.134 1 0 "[ . 1 . 2]" 1
117 1 66 ILE H 1 66 ILE MD . . 5.810 2.834 1.583 3.927 . 0 0 "[ . 1 . 2]" 1
118 1 16 TRP H 1 16 TRP HE1 . . 5.620 4.442 4.091 4.631 . 0 0 "[ . 1 . 2]" 1
119 1 44 ILE H 1 46 TYR H . . 6.500 6.232 5.976 6.419 . 0 0 "[ . 1 . 2]" 1
120 1 16 TRP H 1 17 ALA H . . 5.640 4.386 4.356 4.417 . 0 0 "[ . 1 . 2]" 1
121 1 44 ILE H 1 57 GLY H . . 5.440 5.002 4.724 5.148 . 0 0 "[ . 1 . 2]" 1
122 1 44 ILE H 1 56 TYR H . . 4.100 3.354 3.091 3.716 . 0 0 "[ . 1 . 2]" 1
123 1 16 TRP H 1 29 PHE H . . 5.540 4.806 4.627 4.969 . 0 0 "[ . 1 . 2]" 1
124 1 16 TRP H 1 30 ASN H . . 6.130 5.213 4.788 5.565 . 0 0 "[ . 1 . 2]" 1
125 1 16 TRP H 1 28 GLN H . . 3.970 2.946 2.662 3.349 . 0 0 "[ . 1 . 2]" 1
126 1 44 ILE H 1 58 GLU H . . 5.890 5.570 4.792 5.935 0.045 7 0 "[ . 1 . 2]" 1
127 1 86 ASN H 1 87 PHE H . . 4.750 2.535 2.228 2.866 . 0 0 "[ . 1 . 2]" 1
128 1 14 VAL H 1 16 TRP H . . 6.500 6.273 6.174 6.396 . 0 0 "[ . 1 . 2]" 1
129 1 15 GLY H 1 16 TRP H . . 5.380 4.420 4.401 4.445 . 0 0 "[ . 1 . 2]" 1
130 1 65 TYR H 1 67 LYS H . . 4.700 4.319 4.090 4.630 . 0 0 "[ . 1 . 2]" 1
131 1 87 PHE H 1 88 HIS H . . 4.610 3.482 2.238 4.602 . 0 0 "[ . 1 . 2]" 1
132 1 37 VAL MG1 1 44 ILE H . . 6.500 5.749 5.036 6.668 0.168 12 0 "[ . 1 . 2]" 1
133 1 37 VAL MG2 1 44 ILE H . . 6.500 4.963 4.120 5.790 . 0 0 "[ . 1 . 2]" 1
134 1 44 ILE H 1 44 ILE MD . . 5.190 3.043 1.577 4.004 . 0 0 "[ . 1 . 2]" 1
135 1 16 TRP H 1 27 VAL MG2 . . 5.850 4.685 2.756 5.661 . 0 0 "[ . 1 . 2]" 1
136 1 44 ILE H 1 62 LEU MD2 . . 6.120 5.144 3.481 6.172 0.052 1 0 "[ . 1 . 2]" 1
137 1 66 ILE MD 1 67 LYS H . . 6.500 4.362 3.565 4.836 . 0 0 "[ . 1 . 2]" 1
138 1 16 TRP H 1 27 VAL MG1 . . 5.850 3.743 2.861 5.835 . 0 0 "[ . 1 . 2]" 1
139 1 73 LEU H 1 73 LEU MD1 . . 5.010 3.313 2.167 4.050 . 0 0 "[ . 1 . 2]" 1
140 1 73 LEU H 1 73 LEU MD2 . . 5.010 3.055 1.999 4.249 . 0 0 "[ . 1 . 2]" 1
141 1 27 VAL H 1 35 LEU H . . 4.010 3.172 2.726 3.534 . 0 0 "[ . 1 . 2]" 1
142 1 59 ASN H 1 60 GLU H . . 3.350 2.464 2.302 2.737 . 0 0 "[ . 1 . 2]" 1
143 1 35 LEU H 1 47 THR H . . 6.160 4.648 4.518 4.767 . 0 0 "[ . 1 . 2]" 1
144 1 14 VAL H 1 30 ASN H . . 6.500 6.109 5.725 6.539 0.039 8 0 "[ . 1 . 2]" 1
145 1 13 ASN H 1 14 VAL H . . 4.070 2.617 2.559 2.682 . 0 0 "[ . 1 . 2]" 1
146 1 11 VAL H 1 14 VAL H . . 5.030 4.247 4.044 4.485 . 0 0 "[ . 1 . 2]" 1
147 1 30 ASN H 1 33 SER H . . 6.500 5.355 5.035 5.592 . 0 0 "[ . 1 . 2]" 1
148 1 14 VAL H 1 15 GLY H . . 3.810 1.956 1.908 1.996 . 0 0 "[ . 1 . 2]" 1
149 1 35 LEU H 1 36 VAL MG2 . . 6.270 4.589 4.064 6.147 . 0 0 "[ . 1 . 2]" 1
150 1 14 VAL H 1 14 VAL MG2 . . 4.370 3.251 2.453 3.877 . 0 0 "[ . 1 . 2]" 1
151 1 14 VAL MG1 1 30 ASN H . . 6.500 4.238 3.184 5.199 . 0 0 "[ . 1 . 2]" 1
152 1 35 LEU H 1 36 VAL MG1 . . 6.270 5.868 4.247 6.163 . 0 0 "[ . 1 . 2]" 1
153 1 27 VAL MG2 1 35 LEU H . . 5.160 4.620 4.150 5.160 0.000 4 0 "[ . 1 . 2]" 1
154 1 60 GLU H 1 62 LEU MD1 . . 6.500 5.604 4.625 6.251 . 0 0 "[ . 1 . 2]" 1
155 1 60 GLU H 1 62 LEU MD2 . . 6.500 5.178 4.139 6.180 . 0 0 "[ . 1 . 2]" 1
156 1 27 VAL MG1 1 35 LEU H . . 5.160 3.928 2.766 4.626 . 0 0 "[ . 1 . 2]" 1
157 1 57 GLY H 1 58 GLU H . . 4.570 4.456 4.231 4.560 . 0 0 "[ . 1 . 2]" 1
158 1 58 GLU H 1 59 ASN H . . 3.920 2.622 2.503 2.748 . 0 0 "[ . 1 . 2]" 1
159 1 68 GLN H 1 69 LYS H . . 3.660 2.728 2.655 2.803 . 0 0 "[ . 1 . 2]" 1
160 1 4 GLN H 1 5 LEU H . . 4.680 3.857 2.266 4.582 . 0 0 "[ . 1 . 2]" 1
161 1 69 LYS H 1 70 LEU H . . 3.580 2.589 2.439 2.747 . 0 0 "[ . 1 . 2]" 1
162 1 69 LYS H 1 71 GLN H . . 4.390 4.005 3.864 4.226 . 0 0 "[ . 1 . 2]" 1
163 1 67 LYS H 1 69 LYS H . . 4.650 4.179 4.036 4.365 . 0 0 "[ . 1 . 2]" 1
164 1 58 GLU H 1 60 GLU H . . 4.640 4.175 3.828 4.599 . 0 0 "[ . 1 . 2]" 1
165 1 43 SER H 1 58 GLU H . . 6.210 5.109 4.048 5.711 . 0 0 "[ . 1 . 2]" 1
166 1 66 ILE H 1 69 LYS H . . 5.260 4.654 4.539 4.764 . 0 0 "[ . 1 . 2]" 1
167 1 9 VAL H 1 18 THR H . . 6.310 4.849 4.706 5.047 . 0 0 "[ . 1 . 2]" 1
168 1 17 ALA H 1 18 THR H . . 5.860 4.356 4.319 4.427 . 0 0 "[ . 1 . 2]" 1
169 1 25 VAL H 1 26 TRP H . . 4.460 4.319 4.254 4.367 . 0 0 "[ . 1 . 2]" 1
170 1 18 THR H 1 28 GLN H . . 6.500 4.610 4.360 4.788 . 0 0 "[ . 1 . 2]" 1
171 1 16 TRP H 1 18 THR H . . 6.500 6.499 6.384 6.590 0.090 11 0 "[ . 1 . 2]" 1
172 1 68 GLN H 1 71 GLN H . . 5.300 4.696 4.493 5.019 . 0 0 "[ . 1 . 2]" 1
173 1 71 GLN H 1 73 LEU H . . 4.850 4.111 3.912 4.325 . 0 0 "[ . 1 . 2]" 1
174 1 71 GLN H 1 72 CYS H . . 3.790 2.619 2.541 2.718 . 0 0 "[ . 1 . 2]" 1
175 1 25 VAL H 1 37 VAL MG1 . . 5.010 3.818 2.638 4.595 . 0 0 "[ . 1 . 2]" 1
176 1 25 VAL H 1 37 VAL MG2 . . 5.010 4.699 4.055 5.050 0.040 10 0 "[ . 1 . 2]" 1
177 1 18 THR H 1 27 VAL MG1 . . 6.320 5.063 4.623 5.445 . 0 0 "[ . 1 . 2]" 1
178 1 8 SER H 1 9 VAL H . . 5.550 4.495 4.465 4.562 . 0 0 "[ . 1 . 2]" 1
179 1 77 LEU H 1 79 MET H . . 4.630 4.041 3.949 4.139 . 0 0 "[ . 1 . 2]" 1
180 1 78 LEU H 1 79 MET H . . 3.570 2.640 2.606 2.686 . 0 0 "[ . 1 . 2]" 1
181 1 35 LEU MD1 1 45 SER H . . 6.370 5.818 4.698 6.463 0.093 1 0 "[ . 1 . 2]" 1
182 1 36 VAL MG1 1 45 SER H . . 5.500 4.069 2.526 5.136 . 0 0 "[ . 1 . 2]" 1
183 1 77 LEU H 1 78 LEU H . . 3.810 2.669 2.593 2.713 . 0 0 "[ . 1 . 2]" 1
184 1 78 LEU H 1 81 SER H . . 5.550 4.952 4.773 5.169 . 0 0 "[ . 1 . 2]" 1
185 1 76 ILE H 1 77 LEU H . . 3.670 2.557 2.518 2.629 . 0 0 "[ . 1 . 2]" 1
186 1 78 LEU H 1 78 LEU MD1 . . 4.740 3.612 2.292 4.212 . 0 0 "[ . 1 . 2]" 1
187 1 78 LEU H 1 78 LEU MD2 . . 4.740 3.646 2.342 4.293 . 0 0 "[ . 1 . 2]" 1
188 1 77 LEU H 1 77 LEU MD1 . . 4.690 4.090 3.658 4.278 . 0 0 "[ . 1 . 2]" 1
189 1 77 LEU H 1 77 LEU MD2 . . 4.690 4.156 3.191 4.293 . 0 0 "[ . 1 . 2]" 1
190 1 76 ILE MD 1 77 LEU H . . 5.800 4.424 2.615 4.748 . 0 0 "[ . 1 . 2]" 1
191 1 16 TRP HE1 1 33 SER H . . 6.500 6.451 6.132 6.632 0.132 12 0 "[ . 1 . 2]" 1
192 1 32 GLY H 1 33 SER H . . 4.010 2.446 2.353 2.551 . 0 0 "[ . 1 . 2]" 1
193 1 70 LEU H 1 71 GLN H . . 3.750 2.657 2.581 2.804 . 0 0 "[ . 1 . 2]" 1
194 1 70 LEU H 1 72 CYS H . . 4.760 4.131 3.978 4.332 . 0 0 "[ . 1 . 2]" 1
195 1 70 LEU H 1 70 LEU MD2 . . 5.310 3.539 2.380 4.198 . 0 0 "[ . 1 . 2]" 1
196 1 62 LEU MD1 1 70 LEU H . . 6.500 5.730 4.548 6.489 . 0 0 "[ . 1 . 2]" 1
197 1 62 LEU MD2 1 70 LEU H . . 6.500 5.992 4.621 6.525 0.025 12 0 "[ . 1 . 2]" 1
198 1 77 LEU H 1 80 PHE H . . 6.140 4.733 4.582 4.875 . 0 0 "[ . 1 . 2]" 1
199 1 78 LEU H 1 80 PHE H . . 4.820 3.952 3.829 4.079 . 0 0 "[ . 1 . 2]" 1
200 1 77 LEU MD1 1 80 PHE H . . 6.500 4.992 4.212 6.354 . 0 0 "[ . 1 . 2]" 1
201 1 77 LEU MD2 1 80 PHE H . . 6.500 5.467 4.047 6.351 . 0 0 "[ . 1 . 2]" 1
202 1 67 LYS H 1 68 GLN H . . 3.810 2.618 2.555 2.726 . 0 0 "[ . 1 . 2]" 1
203 1 66 ILE H 1 68 GLN H . . 4.270 3.898 3.742 4.044 . 0 0 "[ . 1 . 2]" 1
204 1 12 LYS H 1 13 ASN H . . 4.830 2.771 2.675 2.874 . 0 0 "[ . 1 . 2]" 1
205 1 65 TYR H 1 68 GLN H . . 5.010 4.685 4.528 4.873 . 0 0 "[ . 1 . 2]" 1
206 1 62 LEU MD1 1 68 GLN H . . 6.500 6.144 5.491 6.563 0.063 8 0 "[ . 1 . 2]" 1
207 1 62 LEU MD2 1 68 GLN H . . 6.500 6.381 5.515 6.654 0.154 10 0 "[ . 1 . 2]" 1
208 1 69 LYS H 1 72 CYS H . . 5.860 4.952 4.616 5.298 . 0 0 "[ . 1 . 2]" 1
209 1 11 VAL MG2 1 72 CYS H . . 6.500 5.770 4.770 6.574 0.074 8 0 "[ . 1 . 2]" 1
210 1 16 TRP HE1 1 31 ASP H . . 6.420 5.512 4.910 6.424 0.004 11 0 "[ . 1 . 2]" 1
211 1 30 ASN H 1 31 ASP H . . 4.300 2.657 2.514 2.807 . 0 0 "[ . 1 . 2]" 1
212 1 74 SER H 1 75 SER H . . 4.960 2.735 2.683 2.823 . 0 0 "[ . 1 . 2]" 1
213 1 73 LEU H 1 74 SER H . . 3.990 2.544 2.454 2.622 . 0 0 "[ . 1 . 2]" 1
214 1 72 CYS H 1 74 SER H . . 4.800 4.145 3.910 4.325 . 0 0 "[ . 1 . 2]" 1
215 1 31 ASP H 1 33 SER H . . 4.710 3.542 3.198 3.806 . 0 0 "[ . 1 . 2]" 1
216 1 34 GLN H 1 35 LEU H . . 5.400 4.448 4.417 4.479 . 0 0 "[ . 1 . 2]" 1
217 1 43 SER H 1 44 ILE H . . 4.640 4.357 3.938 4.560 . 0 0 "[ . 1 . 2]" 1
218 1 33 SER H 1 34 GLN H . . 5.490 4.601 4.555 4.651 . 0 0 "[ . 1 . 2]" 1
219 1 42 SER H 1 43 SER H . . 4.560 2.401 2.270 2.620 . 0 0 "[ . 1 . 2]" 1
220 1 81 SER H 1 82 ASN H . . 4.020 2.528 2.298 2.874 . 0 0 "[ . 1 . 2]" 1
221 1 80 PHE H 1 81 SER H . . 3.680 2.410 2.290 2.537 . 0 0 "[ . 1 . 2]" 1
222 1 41 VAL MG1 1 43 SER H . . 4.880 2.582 1.404 4.397 . 0 0 "[ . 1 . 2]" 1
223 1 41 VAL MG2 1 43 SER H . . 4.880 3.725 1.455 5.052 0.172 13 0 "[ . 1 . 2]" 1
224 1 56 TYR H 1 57 GLY H . . 5.040 4.408 4.338 4.484 . 0 0 "[ . 1 . 2]" 1
225 1 57 GLY H 1 59 ASN H . . 5.300 4.393 4.153 4.999 . 0 0 "[ . 1 . 2]" 1
226 1 57 GLY H 1 60 GLU H . . 4.680 3.761 2.839 4.429 . 0 0 "[ . 1 . 2]" 1
227 1 44 ILE MD 1 57 GLY H . . 6.500 5.778 4.279 6.599 0.099 20 0 "[ . 1 . 2]" 1
228 1 57 GLY H 1 62 LEU MD1 . . 6.500 5.320 4.229 6.535 0.035 2 0 "[ . 1 . 2]" 1
229 1 57 GLY H 1 62 LEU MD2 . . 6.500 4.892 3.035 6.515 0.015 8 0 "[ . 1 . 2]" 1
230 1 40 GLY H 1 41 VAL H . . 4.410 2.465 2.236 2.569 . 0 0 "[ . 1 . 2]" 1
231 1 40 GLY H 1 41 VAL MG1 . . 6.350 5.344 4.211 6.015 . 0 0 "[ . 1 . 2]" 1
232 1 40 GLY H 1 41 VAL MG2 . . 6.350 4.389 2.944 5.928 . 0 0 "[ . 1 . 2]" 1
233 1 21 THR H 1 23 GLY H . . 6.060 4.204 4.109 4.278 . 0 0 "[ . 1 . 2]" 1
234 1 22 SER H 1 23 GLY H . . 4.450 2.526 2.457 2.605 . 0 0 "[ . 1 . 2]" 1
235 1 16 TRP HE1 1 32 GLY H . . 5.380 4.698 4.140 5.363 . 0 0 "[ . 1 . 2]" 1
236 1 30 ASN H 1 32 GLY H . . 5.860 4.197 4.059 4.320 . 0 0 "[ . 1 . 2]" 1
237 1 51 GLY H 1 52 GLN H . . 3.480 2.338 1.876 2.923 . 0 0 "[ . 1 . 2]" 1
238 1 15 GLY H 1 30 ASN H . . 6.500 5.186 4.818 5.641 . 0 0 "[ . 1 . 2]" 1
239 1 13 ASN H 1 15 GLY H . . 5.530 3.664 3.525 3.773 . 0 0 "[ . 1 . 2]" 1
240 1 52 GLN H 1 53 THR H . . 6.500 4.216 3.703 4.636 . 0 0 "[ . 1 . 2]" 1
241 1 9 VAL H 1 9 VAL MG1 . . 4.040 3.684 2.808 3.914 . 0 0 "[ . 1 . 2]" 1
242 1 20 LEU MD2 1 26 TRP H . . 5.590 3.802 2.545 5.216 . 0 0 "[ . 1 . 2]" 1
243 1 25 VAL MG1 1 26 TRP H . . 5.380 2.924 2.737 4.120 . 0 0 "[ . 1 . 2]" 1
244 1 37 VAL H 1 37 VAL MG1 . . 4.580 3.280 2.053 3.897 . 0 0 "[ . 1 . 2]" 1
245 1 25 VAL MG2 1 26 TRP H . . 5.380 3.988 2.750 4.156 . 0 0 "[ . 1 . 2]" 1
246 1 18 THR H 1 27 VAL MG2 . . 6.320 4.126 3.495 5.088 . 0 0 "[ . 1 . 2]" 1
247 1 37 VAL H 1 37 VAL MG2 . . 4.580 3.060 2.457 3.934 . 0 0 "[ . 1 . 2]" 1
248 1 35 LEU MD1 1 36 VAL H . . 5.020 4.657 3.696 5.075 0.055 13 0 "[ . 1 . 2]" 1
249 1 35 LEU MD2 1 36 VAL H . . 5.020 4.589 2.817 5.057 0.037 15 0 "[ . 1 . 2]" 1
250 1 56 TYR H 1 62 LEU MD1 . . 6.500 5.717 4.639 6.573 0.073 4 0 "[ . 1 . 2]" 1
251 1 44 ILE H 1 70 LEU MD1 . . 6.390 5.291 3.828 6.147 . 0 0 "[ . 1 . 2]" 1
252 1 44 ILE H 1 62 LEU MD1 . . 6.120 5.344 4.548 6.116 . 0 0 "[ . 1 . 2]" 1
253 1 44 ILE H 1 70 LEU MD2 . . 6.390 5.350 3.854 6.289 . 0 0 "[ . 1 . 2]" 1
254 1 20 LEU H 1 20 LEU MD2 . . 4.580 3.099 2.060 4.236 . 0 0 "[ . 1 . 2]" 1
255 1 14 VAL MG2 1 30 ASN H . . 6.500 4.395 3.186 5.792 . 0 0 "[ . 1 . 2]" 1
256 1 38 GLN H 1 41 VAL MG1 . . 5.780 4.223 2.528 6.059 0.279 12 0 "[ . 1 . 2]" 1
257 1 37 VAL MG1 1 38 GLN H . . 5.230 3.056 2.521 4.004 . 0 0 "[ . 1 . 2]" 1
258 1 36 VAL MG2 1 45 SER H . . 5.500 4.345 2.985 4.830 . 0 0 "[ . 1 . 2]" 1
259 1 28 GLN H 1 35 LEU MD1 . . 6.500 5.671 4.724 6.611 0.111 16 0 "[ . 1 . 2]" 1
260 1 35 LEU MD2 1 45 SER H . . 6.370 5.473 3.699 6.538 0.168 5 0 "[ . 1 . 2]" 1
261 1 9 VAL MG2 1 10 PHE H . . 4.320 3.953 3.575 4.139 . 0 0 "[ . 1 . 2]" 1
262 1 20 LEU MD2 1 23 GLY H . . 5.610 5.363 5.126 5.660 0.050 16 0 "[ . 1 . 2]" 1
263 1 20 LEU MD1 1 23 GLY H . . 5.610 5.401 5.106 5.625 0.015 19 0 "[ . 1 . 2]" 1
264 1 6 LEU H 1 6 LEU MD1 . . 4.770 3.406 1.968 4.371 . 0 0 "[ . 1 . 2]" 1
265 1 14 VAL H 1 14 VAL MG1 . . 4.370 2.880 2.062 3.854 . 0 0 "[ . 1 . 2]" 1
266 1 70 LEU H 1 70 LEU MD1 . . 5.310 3.745 2.446 4.110 . 0 0 "[ . 1 . 2]" 1
267 1 62 LEU MD1 1 67 LYS H . . 5.850 4.273 3.349 4.729 . 0 0 "[ . 1 . 2]" 1
268 1 62 LEU MD2 1 67 LYS H . . 5.850 4.536 3.838 4.816 . 0 0 "[ . 1 . 2]" 1
269 1 76 ILE H 1 77 LEU MD1 . . 6.500 6.105 5.219 6.264 . 0 0 "[ . 1 . 2]" 1
270 1 11 VAL MG1 1 72 CYS H . . 6.500 5.723 4.173 6.545 0.045 4 0 "[ . 1 . 2]" 1
271 1 76 ILE H 1 77 LEU MD2 . . 6.500 6.044 4.722 6.308 . 0 0 "[ . 1 . 2]" 1
272 1 37 VAL MG1 1 43 SER H . . 6.500 5.421 4.343 6.644 0.144 11 0 "[ . 1 . 2]" 1
273 1 37 VAL MG2 1 43 SER H . . 6.500 5.475 3.447 6.599 0.099 1 0 "[ . 1 . 2]" 1
274 1 4 GLN H 1 6 LEU QD . . 5.860 4.773 1.910 5.895 0.035 19 0 "[ . 1 . 2]" 1
275 1 5 LEU H 1 5 LEU QD . . 4.300 2.882 1.366 3.819 . 0 0 "[ . 1 . 2]" 1
276 1 5 LEU H 1 6 LEU QD . . 5.270 3.741 2.743 5.346 0.076 19 0 "[ . 1 . 2]" 1
277 1 5 LEU QD 1 6 LEU H . . 5.090 3.493 2.011 4.366 . 0 0 "[ . 1 . 2]" 1
278 1 6 LEU QD 1 7 LYS H . . 4.810 3.575 2.237 4.370 . 0 0 "[ . 1 . 2]" 1
279 1 9 VAL H 1 9 VAL QG . . 3.450 2.518 2.007 2.778 . 0 0 "[ . 1 . 2]" 1
280 1 9 VAL H 1 11 VAL QG . . 6.270 5.382 4.502 6.244 . 0 0 "[ . 1 . 2]" 1
281 1 9 VAL QG 1 10 PHE H . . 3.350 2.575 2.311 3.385 0.035 18 0 "[ . 1 . 2]" 1
282 1 9 VAL QG 1 11 VAL H . . 5.030 4.291 3.818 4.567 . 0 0 "[ . 1 . 2]" 1
283 1 9 VAL QG 1 17 ALA H . . 4.840 3.833 2.835 4.365 . 0 0 "[ . 1 . 2]" 1
284 1 9 VAL QG 1 18 THR H . . 6.400 5.589 4.695 6.242 . 0 0 "[ . 1 . 2]" 1
285 1 9 VAL QG 1 19 GLN H . . 6.100 4.654 3.964 5.401 . 0 0 "[ . 1 . 2]" 1
286 1 11 VAL H 1 11 VAL QG . . 3.930 2.171 1.862 2.606 . 0 0 "[ . 1 . 2]" 1
287 1 11 VAL QG 1 12 LYS H . . 4.290 3.022 2.688 3.566 . 0 0 "[ . 1 . 2]" 1
288 1 11 VAL QG 1 13 ASN H . . 5.800 3.937 3.702 4.153 . 0 0 "[ . 1 . 2]" 1
289 1 11 VAL QG 1 14 VAL H . . 4.660 3.734 3.364 4.258 . 0 0 "[ . 1 . 2]" 1
290 1 11 VAL QG 1 15 GLY H . . 5.330 3.017 2.414 3.988 . 0 0 "[ . 1 . 2]" 1
291 1 11 VAL QG 1 17 ALA H . . 4.910 3.831 3.273 4.402 . 0 0 "[ . 1 . 2]" 1
292 1 12 LYS H 1 14 VAL QG . . 5.180 4.678 4.329 5.211 0.031 15 0 "[ . 1 . 2]" 1
293 1 13 ASN H 1 14 VAL QG . . 5.570 4.025 3.864 4.257 . 0 0 "[ . 1 . 2]" 1
294 1 14 VAL H 1 14 VAL QG . . 3.730 2.263 2.054 2.549 . 0 0 "[ . 1 . 2]" 1
295 1 14 VAL H 1 27 VAL QG . . 6.400 6.375 5.832 6.604 0.204 17 0 "[ . 1 . 2]" 1
296 1 14 VAL QG 1 15 GLY H . . 4.860 2.792 2.286 3.414 . 0 0 "[ . 1 . 2]" 1
297 1 14 VAL QG 1 16 TRP H . . 6.040 5.385 5.070 5.789 . 0 0 "[ . 1 . 2]" 1
298 1 14 VAL QG 1 29 PHE H . . 6.400 6.168 5.864 6.478 0.078 20 0 "[ . 1 . 2]" 1
299 1 14 VAL QG 1 30 ASN H . . 5.710 3.420 3.127 3.796 . 0 0 "[ . 1 . 2]" 1
300 1 16 TRP H 1 27 VAL QG . . 4.330 3.122 2.745 3.569 . 0 0 "[ . 1 . 2]" 1
301 1 16 TRP HE1 1 27 VAL QG . . 6.400 6.368 6.086 6.512 0.112 4 0 "[ . 1 . 2]" 1
302 1 17 ALA H 1 27 VAL QG . . 6.190 4.052 3.749 4.527 . 0 0 "[ . 1 . 2]" 1
303 1 18 THR H 1 25 VAL QG . . 4.250 3.546 2.933 3.955 . 0 0 "[ . 1 . 2]" 1
304 1 18 THR H 1 27 VAL QG . . 5.350 3.935 3.408 4.652 . 0 0 "[ . 1 . 2]" 1
305 1 19 GLN H 1 20 LEU QD . . 5.160 4.096 3.616 4.782 . 0 0 "[ . 1 . 2]" 1
306 1 20 LEU H 1 20 LEU QD . . 3.910 2.486 2.044 3.236 . 0 0 "[ . 1 . 2]" 1
307 1 20 LEU H 1 25 VAL QG . . 5.140 3.907 3.580 4.308 . 0 0 "[ . 1 . 2]" 1
308 1 20 LEU QD 1 21 THR H . . 6.350 3.513 3.008 4.228 . 0 0 "[ . 1 . 2]" 1
309 1 20 LEU QD 1 23 GLY H . . 4.840 4.781 4.636 4.890 0.050 9 0 "[ . 1 . 2]" 1
310 1 20 LEU QD 1 24 ALA H . . 4.690 3.773 3.463 4.181 . 0 0 "[ . 1 . 2]" 1
311 1 20 LEU QD 1 26 TRP H . . 4.100 3.016 2.536 4.138 0.038 15 0 "[ . 1 . 2]" 1
312 1 24 ALA H 1 25 VAL QG . . 5.190 4.721 4.457 5.269 0.079 1 0 "[ . 1 . 2]" 1
313 1 25 VAL H 1 25 VAL QG . . 3.780 2.466 2.040 2.608 . 0 0 "[ . 1 . 2]" 1
314 1 25 VAL H 1 36 VAL QG . . 4.200 3.907 3.491 4.262 0.062 17 0 "[ . 1 . 2]" 1
315 1 25 VAL H 1 37 VAL QG . . 4.390 3.626 2.606 4.261 . 0 0 "[ . 1 . 2]" 1
316 1 25 VAL QG 1 26 TRP H . . 4.040 2.746 2.699 2.796 . 0 0 "[ . 1 . 2]" 1
317 1 25 VAL QG 1 27 VAL H . . 6.110 3.846 3.590 4.077 . 0 0 "[ . 1 . 2]" 1
318 1 25 VAL QG 1 27 VAL QG . . 4.960 2.406 1.937 3.287 . 0 0 "[ . 1 . 2]" 1
319 1 25 VAL QG 1 37 VAL H . . 5.780 3.816 2.740 4.193 . 0 0 "[ . 1 . 2]" 1
320 1 26 TRP HE1 1 35 LEU QD . . 6.400 5.969 5.264 6.488 0.088 2 0 "[ . 1 . 2]" 1
321 1 26 TRP HE1 1 36 VAL QG . . 4.610 3.883 1.773 4.628 0.018 3 0 "[ . 1 . 2]" 1
322 1 27 VAL H 1 27 VAL QG . . 3.900 2.425 2.028 2.624 . 0 0 "[ . 1 . 2]" 1
323 1 27 VAL H 1 35 LEU QD . . 5.330 3.963 2.578 4.591 . 0 0 "[ . 1 . 2]" 1
324 1 27 VAL H 1 36 VAL QG . . 5.240 4.090 3.632 4.645 . 0 0 "[ . 1 . 2]" 1
325 1 27 VAL H 1 73 LEU QD . . 5.640 4.692 4.281 5.402 . 0 0 "[ . 1 . 2]" 1
326 1 27 VAL QG 1 28 GLN H . . 3.760 2.819 2.651 2.885 . 0 0 "[ . 1 . 2]" 1
327 1 27 VAL QG 1 29 PHE H . . 4.930 4.437 4.173 4.909 . 0 0 "[ . 1 . 2]" 1
328 1 27 VAL QG 1 30 ASN H . . 6.400 5.869 5.499 6.237 . 0 0 "[ . 1 . 2]" 1
329 1 27 VAL QG 1 35 LEU H . . 4.440 3.702 2.733 4.314 . 0 0 "[ . 1 . 2]" 1
330 1 27 VAL QG 1 35 LEU QD . . 4.250 2.497 1.790 3.228 . 0 0 "[ . 1 . 2]" 1
331 1 27 VAL QG 1 36 VAL H . . 5.980 5.366 4.377 5.936 . 0 0 "[ . 1 . 2]" 1
332 1 27 VAL QG 1 72 CYS H . . 6.400 5.811 5.226 6.383 . 0 0 "[ . 1 . 2]" 1
333 1 27 VAL QG 1 73 LEU QD . . 4.050 1.984 1.612 2.546 . 0 0 "[ . 1 . 2]" 1
334 1 29 PHE H 1 35 LEU QD . . 5.640 4.313 3.385 5.686 0.046 19 0 "[ . 1 . 2]" 1
335 1 34 GLN H 1 35 LEU QD . . 5.830 4.149 3.376 5.921 0.091 19 0 "[ . 1 . 2]" 1
336 1 35 LEU H 1 35 LEU QD . . 4.750 2.678 2.005 3.807 . 0 0 "[ . 1 . 2]" 1
337 1 35 LEU H 1 36 VAL QG . . 4.870 4.291 4.004 4.942 0.072 5 0 "[ . 1 . 2]" 1
338 1 35 LEU H 1 73 LEU QD . . 6.400 6.121 5.298 6.524 0.124 10 0 "[ . 1 . 2]" 1
339 1 35 LEU QD 1 45 SER H . . 5.390 4.837 3.624 5.413 0.023 13 0 "[ . 1 . 2]" 1
340 1 35 LEU QD 1 47 THR H . . 5.030 4.054 3.200 5.049 0.019 15 0 "[ . 1 . 2]" 1
341 1 35 LEU QD 1 66 ILE H . . 6.400 5.618 4.648 6.419 0.019 5 0 "[ . 1 . 2]" 1
342 1 35 LEU QD 1 67 LYS H . . 6.400 5.958 5.473 6.485 0.085 20 0 "[ . 1 . 2]" 1
343 1 35 LEU QD 1 68 GLN H . . 6.400 6.331 5.933 6.535 0.135 16 0 "[ . 1 . 2]" 1
344 1 35 LEU QD 1 69 LYS H . . 5.380 4.731 4.370 5.031 . 0 0 "[ . 1 . 2]" 1
345 1 35 LEU QD 1 70 LEU H . . 5.000 4.156 3.617 4.584 . 0 0 "[ . 1 . 2]" 1
346 1 35 LEU QD 1 71 GLN H . . 6.300 5.985 5.271 6.352 0.052 4 0 "[ . 1 . 2]" 1
347 1 35 LEU QD 1 72 CYS H . . 6.400 6.178 5.317 6.632 0.232 2 0 "[ . 1 . 2]" 1
348 1 35 LEU QD 1 73 LEU H . . 6.400 6.057 5.179 6.436 0.036 2 0 "[ . 1 . 2]" 1
349 1 36 VAL H 1 36 VAL QG . . 3.780 2.387 1.966 2.597 . 0 0 "[ . 1 . 2]" 1
350 1 36 VAL QG 1 37 VAL H . . 4.110 2.828 2.663 3.498 . 0 0 "[ . 1 . 2]" 1
351 1 36 VAL QG 1 45 SER H . . 4.710 3.643 2.503 4.143 . 0 0 "[ . 1 . 2]" 1
352 1 36 VAL QG 1 47 THR H . . 6.170 4.667 4.245 5.175 . 0 0 "[ . 1 . 2]" 1
353 1 37 VAL H 1 37 VAL QG . . 3.870 2.429 2.045 2.791 . 0 0 "[ . 1 . 2]" 1
354 1 37 VAL QG 1 38 GLN H . . 4.040 2.533 2.247 2.671 . 0 0 "[ . 1 . 2]" 1
355 1 37 VAL QG 1 39 ALA H . . 5.180 4.217 3.909 4.389 . 0 0 "[ . 1 . 2]" 1
356 1 37 VAL QG 1 41 VAL H . . 5.230 3.704 2.999 4.049 . 0 0 "[ . 1 . 2]" 1
357 1 37 VAL QG 1 43 SER H . . 5.260 4.398 3.428 5.190 . 0 0 "[ . 1 . 2]" 1
358 1 37 VAL QG 1 44 ILE H . . 5.370 4.583 4.080 5.068 . 0 0 "[ . 1 . 2]" 1
359 1 38 GLN H 1 41 VAL QG . . 5.050 3.564 2.359 4.694 . 0 0 "[ . 1 . 2]" 1
360 1 39 ALA H 1 41 VAL QG . . 6.400 4.600 4.013 6.283 . 0 0 "[ . 1 . 2]" 1
361 1 40 GLY H 1 41 VAL QG . . 5.150 3.993 2.931 4.312 . 0 0 "[ . 1 . 2]" 1
362 1 41 VAL H 1 41 VAL QG . . 3.890 2.458 2.057 3.294 . 0 0 "[ . 1 . 2]" 1
363 1 41 VAL QG 1 43 SER H . . 3.900 2.104 1.404 3.898 . 0 0 "[ . 1 . 2]" 1
364 1 41 VAL QG 1 44 ILE H . . 6.400 4.915 4.532 5.418 . 0 0 "[ . 1 . 2]" 1
365 1 41 VAL QG 1 58 GLU H . . 6.400 5.528 4.182 6.496 0.096 11 0 "[ . 1 . 2]" 1
366 1 44 ILE H 1 62 LEU QD . . 5.240 4.592 3.411 5.263 0.023 5 0 "[ . 1 . 2]" 1
367 1 44 ILE H 1 70 LEU QD . . 5.370 4.713 3.422 5.462 0.092 15 0 "[ . 1 . 2]" 1
368 1 56 TYR H 1 62 LEU QD . . 5.400 4.691 4.315 5.205 . 0 0 "[ . 1 . 2]" 1
369 1 57 GLY H 1 62 LEU QD . . 5.300 4.375 3.000 5.335 0.035 17 0 "[ . 1 . 2]" 1
370 1 58 GLU H 1 62 LEU QD . . 6.400 5.551 4.087 6.501 0.101 5 0 "[ . 1 . 2]" 1
371 1 60 GLU H 1 62 LEU QD . . 5.390 4.744 3.863 5.492 0.102 15 0 "[ . 1 . 2]" 1
372 1 61 LYS H 1 62 LEU QD . . 5.350 4.750 3.898 5.389 0.039 6 0 "[ . 1 . 2]" 1
373 1 62 LEU QD 1 66 ILE H . . 5.480 4.751 4.136 5.364 . 0 0 "[ . 1 . 2]" 1
374 1 62 LEU QD 1 67 LYS H . . 5.030 3.880 3.270 4.169 . 0 0 "[ . 1 . 2]" 1
375 1 62 LEU QD 1 69 LYS H . . 6.400 6.076 5.553 6.410 0.010 1 0 "[ . 1 . 2]" 1
376 1 66 ILE H 1 70 LEU QD . . 6.400 5.846 5.122 6.504 0.104 20 0 "[ . 1 . 2]" 1
377 1 67 LYS H 1 70 LEU QD . . 4.920 4.599 3.993 5.009 0.089 3 0 "[ . 1 . 2]" 1
378 1 68 GLN H 1 70 LEU QD . . 5.840 5.323 4.706 5.732 . 0 0 "[ . 1 . 2]" 1
379 1 69 LYS H 1 70 LEU QD . . 5.120 4.804 4.119 5.347 0.227 13 0 "[ . 1 . 2]" 1
380 1 70 LEU H 1 70 LEU QD . . 4.270 3.091 2.360 3.663 . 0 0 "[ . 1 . 2]" 1
381 1 70 LEU QD 1 71 GLN H . . 5.040 4.021 3.817 4.242 . 0 0 "[ . 1 . 2]" 1
382 1 70 LEU QD 1 72 CYS H . . 6.400 5.019 4.750 5.334 . 0 0 "[ . 1 . 2]" 1
383 1 72 CYS H 1 73 LEU QD . . 6.400 3.812 3.215 5.407 . 0 0 "[ . 1 . 2]" 1
384 1 73 LEU H 1 73 LEU QD . . 4.360 2.514 1.983 3.689 . 0 0 "[ . 1 . 2]" 1
385 1 73 LEU QD 1 74 SER H . . 5.620 4.048 3.771 4.298 . 0 0 "[ . 1 . 2]" 1
386 1 76 ILE H 1 77 LEU QD . . 5.590 5.408 4.390 5.502 . 0 0 "[ . 1 . 2]" 1
387 1 76 ILE H 1 78 LEU QD . . 5.690 5.256 4.667 5.756 0.066 3 0 "[ . 1 . 2]" 1
388 1 77 LEU H 1 77 LEU QD . . 4.030 3.664 3.002 3.751 . 0 0 "[ . 1 . 2]" 1
389 1 77 LEU H 1 78 LEU QD . . 5.820 4.824 3.956 5.580 . 0 0 "[ . 1 . 2]" 1
390 1 78 LEU H 1 78 LEU QD . . 4.120 3.070 2.276 3.750 . 0 0 "[ . 1 . 2]" 1
391 1 78 LEU QD 1 79 MET H . . 4.470 3.865 3.183 4.146 . 0 0 "[ . 1 . 2]" 1
392 1 78 LEU QD 1 80 PHE H . . 6.400 4.910 4.382 5.194 . 0 0 "[ . 1 . 2]" 1
393 1 78 LEU QD 1 81 SER H . . 5.720 4.467 3.645 5.250 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 733
_Distance_constraint_stats_list.Viol_total 2255.328
_Distance_constraint_stats_list.Viol_max 0.362
_Distance_constraint_stats_list.Viol_rms 0.1062
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1044
_Distance_constraint_stats_list.Viol_average_violations_only 0.1538
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 VAL 1.428 0.219 2 0 "[ . 1 . 2]"
1 11 VAL 14.240 0.362 16 0 "[ . 1 . 2]"
1 15 GLY 14.240 0.362 16 0 "[ . 1 . 2]"
1 16 TRP 2.926 0.208 14 0 "[ . 1 . 2]"
1 17 ALA 1.428 0.219 2 0 "[ . 1 . 2]"
1 18 THR 6.936 0.312 8 0 "[ . 1 . 2]"
1 25 VAL 7.661 0.303 20 0 "[ . 1 . 2]"
1 26 TRP 6.936 0.312 8 0 "[ . 1 . 2]"
1 27 VAL 4.002 0.253 2 0 "[ . 1 . 2]"
1 28 GLN 2.926 0.208 14 0 "[ . 1 . 2]"
1 34 GLN 8.776 0.339 14 0 "[ . 1 . 2]"
1 35 LEU 4.002 0.253 2 0 "[ . 1 . 2]"
1 36 VAL 6.287 0.314 2 0 "[ . 1 . 2]"
1 37 VAL 7.661 0.303 20 0 "[ . 1 . 2]"
1 44 ILE 7.809 0.288 19 0 "[ . 1 . 2]"
1 45 SER 6.287 0.314 2 0 "[ . 1 . 2]"
1 46 TYR 2.528 0.171 18 0 "[ . 1 . 2]"
1 47 THR 8.776 0.339 14 0 "[ . 1 . 2]"
1 48 SER 13.134 0.355 7 0 "[ . 1 . 2]"
1 52 GLN 13.134 0.355 7 0 "[ . 1 . 2]"
1 54 THR 2.528 0.171 18 0 "[ . 1 . 2]"
1 56 TYR 7.809 0.288 19 0 "[ . 1 . 2]"
1 64 ASP 6.311 0.308 11 0 "[ . 1 . 2]"
1 65 TYR 9.105 0.305 2 0 "[ . 1 . 2]"
1 66 ILE 6.481 0.297 20 0 "[ . 1 . 2]"
1 68 GLN 6.311 0.308 11 0 "[ . 1 . 2]"
1 69 LYS 9.105 0.305 2 0 "[ . 1 . 2]"
1 70 LEU 6.481 0.297 20 0 "[ . 1 . 2]"
1 74 SER 6.961 0.272 11 0 "[ . 1 . 2]"
1 75 SER 8.181 0.255 5 0 "[ . 1 . 2]"
1 78 LEU 6.961 0.272 11 0 "[ . 1 . 2]"
1 79 MET 8.181 0.255 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 VAL H 1 17 ALA O . . 1.800 1.782 1.655 2.008 0.208 2 0 "[ . 1 . 2]" 2
2 1 9 VAL N 1 17 ALA O . . 2.700 2.730 2.629 2.919 0.219 2 0 "[ . 1 . 2]" 2
3 1 9 VAL O 1 17 ALA H . . 1.800 1.685 1.617 1.777 . 0 0 "[ . 1 . 2]" 2
4 1 9 VAL O 1 17 ALA N . . 2.700 2.650 2.582 2.707 0.007 19 0 "[ . 1 . 2]" 2
5 1 11 VAL H 1 15 GLY O . . 1.800 1.832 1.686 1.970 0.170 1 0 "[ . 1 . 2]" 2
6 1 11 VAL N 1 15 GLY O . . 2.700 2.760 2.657 2.872 0.172 8 0 "[ . 1 . 2]" 2
7 1 11 VAL O 1 15 GLY H . . 1.800 2.062 2.011 2.089 0.289 16 0 "[ . 1 . 2]" 2
8 1 11 VAL O 1 15 GLY N . . 2.700 3.033 2.979 3.062 0.362 16 0 "[ . 1 . 2]" 2
9 1 16 TRP H 1 28 GLN O . . 1.800 1.785 1.649 1.969 0.169 3 0 "[ . 1 . 2]" 2
10 1 16 TRP N 1 28 GLN O . . 2.700 2.732 2.618 2.903 0.203 3 0 "[ . 1 . 2]" 2
11 1 16 TRP O 1 28 GLN H . . 1.800 1.798 1.638 2.008 0.208 14 0 "[ . 1 . 2]" 2
12 1 16 TRP O 1 28 GLN N . . 2.700 2.712 2.623 2.847 0.147 14 0 "[ . 1 . 2]" 2
13 1 18 THR H 1 26 TRP O . . 1.800 1.713 1.620 1.845 0.045 9 0 "[ . 1 . 2]" 2
14 1 18 THR N 1 26 TRP O . . 2.700 2.665 2.600 2.714 0.014 19 0 "[ . 1 . 2]" 2
15 1 18 THR O 1 26 TRP H . . 1.800 1.935 1.794 2.034 0.234 15 0 "[ . 1 . 2]" 2
16 1 18 THR O 1 26 TRP N . . 2.700 2.908 2.763 3.012 0.312 8 0 "[ . 1 . 2]" 2
17 1 25 VAL H 1 37 VAL O . . 1.800 1.784 1.640 2.031 0.231 20 0 "[ . 1 . 2]" 2
18 1 25 VAL N 1 37 VAL O . . 2.700 2.748 2.614 3.000 0.300 20 0 "[ . 1 . 2]" 2
19 1 25 VAL O 1 37 VAL H . . 1.800 1.912 1.771 2.025 0.225 20 0 "[ . 1 . 2]" 2
20 1 25 VAL O 1 37 VAL N . . 2.700 2.878 2.734 3.003 0.303 20 0 "[ . 1 . 2]" 2
21 1 27 VAL H 1 35 LEU O . . 1.800 1.844 1.690 2.018 0.218 4 0 "[ . 1 . 2]" 2
22 1 27 VAL N 1 35 LEU O . . 2.700 2.791 2.657 2.953 0.253 2 0 "[ . 1 . 2]" 2
23 1 27 VAL O 1 35 LEU H . . 1.800 1.780 1.631 2.042 0.242 19 0 "[ . 1 . 2]" 2
24 1 27 VAL O 1 35 LEU N . . 2.700 2.668 2.567 2.805 0.105 16 0 "[ . 1 . 2]" 2
25 1 34 GLN H 1 47 THR O . . 1.800 1.983 1.821 2.070 0.270 7 0 "[ . 1 . 2]" 2
26 1 34 GLN N 1 47 THR O . . 2.700 2.948 2.799 3.039 0.339 14 0 "[ . 1 . 2]" 2
27 1 34 GLN O 1 47 THR H . . 1.800 1.714 1.615 1.840 0.040 13 0 "[ . 1 . 2]" 2
28 1 34 GLN O 1 47 THR N . . 2.700 2.667 2.597 2.784 0.084 13 0 "[ . 1 . 2]" 2
29 1 36 VAL H 1 45 SER O . . 1.800 1.766 1.660 2.000 0.200 12 0 "[ . 1 . 2]" 2
30 1 36 VAL N 1 45 SER O . . 2.700 2.725 2.633 2.951 0.251 12 0 "[ . 1 . 2]" 2
31 1 36 VAL O 1 45 SER H . . 1.800 1.879 1.657 2.050 0.250 15 0 "[ . 1 . 2]" 2
32 1 36 VAL O 1 45 SER N . . 2.700 2.848 2.605 3.014 0.314 2 0 "[ . 1 . 2]" 2
33 1 44 ILE H 1 56 TYR O . . 1.800 1.948 1.637 2.053 0.253 19 0 "[ . 1 . 2]" 2
34 1 44 ILE N 1 56 TYR O . . 2.700 2.849 2.613 2.988 0.288 19 0 "[ . 1 . 2]" 2
35 1 44 ILE O 1 56 TYR H . . 1.800 1.802 1.635 2.004 0.204 7 0 "[ . 1 . 2]" 2
36 1 44 ILE O 1 56 TYR N . . 2.700 2.737 2.617 2.889 0.189 7 0 "[ . 1 . 2]" 2
37 1 46 TYR H 1 54 THR O . . 1.800 1.797 1.667 1.914 0.114 6 0 "[ . 1 . 2]" 2
38 1 46 TYR N 1 54 THR O . . 2.700 2.727 2.609 2.825 0.125 5 0 "[ . 1 . 2]" 2
39 1 46 TYR O 1 54 THR H . . 1.800 1.808 1.720 1.971 0.171 18 0 "[ . 1 . 2]" 2
40 1 46 TYR O 1 54 THR N . . 2.700 2.724 2.648 2.830 0.130 13 0 "[ . 1 . 2]" 2
41 1 48 SER H 1 52 GLN O . . 1.800 1.883 1.677 2.043 0.243 4 0 "[ . 1 . 2]" 2
42 1 48 SER N 1 52 GLN O . . 2.700 2.819 2.660 2.973 0.273 13 0 "[ . 1 . 2]" 2
43 1 48 SER O 1 52 GLN H . . 1.800 2.059 2.015 2.129 0.329 5 0 "[ . 1 . 2]" 2
44 1 48 SER O 1 52 GLN N . . 2.700 2.871 2.665 3.055 0.355 7 0 "[ . 1 . 2]" 2
45 1 64 ASP O 1 68 GLN H . . 1.800 1.941 1.803 2.059 0.259 16 0 "[ . 1 . 2]" 2
46 1 65 TYR O 1 69 LYS H . . 1.800 2.021 1.978 2.067 0.267 13 0 "[ . 1 . 2]" 2
47 1 66 ILE O 1 70 LEU H . . 1.800 1.946 1.809 2.055 0.255 20 0 "[ . 1 . 2]" 2
48 1 74 SER O 1 78 LEU H . . 1.800 1.965 1.831 2.034 0.234 11 0 "[ . 1 . 2]" 2
49 1 75 SER O 1 79 MET H . . 1.800 2.014 1.944 2.054 0.254 9 0 "[ . 1 . 2]" 2
50 1 64 ASP O 1 68 GLN N . . 2.700 2.874 2.709 3.008 0.308 11 0 "[ . 1 . 2]" 2
51 1 65 TYR O 1 69 LYS N . . 2.700 2.934 2.874 3.005 0.305 2 0 "[ . 1 . 2]" 2
52 1 66 ILE O 1 70 LEU N . . 2.700 2.878 2.696 2.997 0.297 20 0 "[ . 1 . 2]" 2
53 1 74 SER O 1 78 LEU N . . 2.700 2.883 2.722 2.972 0.272 11 0 "[ . 1 . 2]" 2
54 1 75 SER O 1 79 MET N . . 2.700 2.895 2.823 2.955 0.255 5 0 "[ . 1 . 2]" 2
stop_
save_
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