NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
397136 |
1ss1   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ss1
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 484
_Distance_constraint_stats_list.Viol_count 1006
_Distance_constraint_stats_list.Viol_total 1280.196
_Distance_constraint_stats_list.Viol_max 0.370
_Distance_constraint_stats_list.Viol_rms 0.0202
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0489
_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 3 THR 0.075 0.064 20 0 "[ . 1 . 2 . ]"
1 4 ALA 0.646 0.186 20 0 "[ . 1 . 2 . ]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 6 ASN 0.885 0.186 20 0 "[ . 1 . 2 . ]"
1 7 LYS 0.428 0.222 7 0 "[ . 1 . 2 . ]"
1 8 PHE 4.723 0.222 7 0 "[ . 1 . 2 . ]"
1 9 ASN 1.064 0.193 2 0 "[ . 1 . 2 . ]"
1 10 LYS 1.026 0.193 2 0 "[ . 1 . 2 . ]"
1 11 GLU 0.100 0.052 15 0 "[ . 1 . 2 . ]"
1 12 GLN 1.219 0.172 8 0 "[ . 1 . 2 . ]"
1 13 GLN 0.824 0.073 15 0 "[ . 1 . 2 . ]"
1 14 ASN 0.020 0.010 11 0 "[ . 1 . 2 . ]"
1 15 ALA 0.136 0.058 10 0 "[ . 1 . 2 . ]"
1 16 PHE 5.505 0.234 22 0 "[ . 1 . 2 . ]"
1 17 TRP 6.669 0.234 22 0 "[ . 1 . 2 . ]"
1 18 GLU 0.784 0.064 11 0 "[ . 1 . 2 . ]"
1 19 ILE 1.456 0.370 18 0 "[ . 1 . 2 . ]"
1 20 LEU 5.593 0.156 4 0 "[ . 1 . 2 . ]"
1 21 HIS 0.086 0.054 19 0 "[ . 1 . 2 . ]"
1 22 LEU 6.839 0.370 18 0 "[ . 1 . 2 . ]"
1 23 PRO 0.258 0.169 18 0 "[ . 1 . 2 . ]"
1 24 ASN 8.655 0.324 17 0 "[ . 1 . 2 . ]"
1 25 LEU 3.100 0.133 22 0 "[ . 1 . 2 . ]"
1 26 ASN 0.082 0.041 22 0 "[ . 1 . 2 . ]"
1 27 GLU 6.266 0.324 17 0 "[ . 1 . 2 . ]"
1 28 GLU 0.155 0.041 22 0 "[ . 1 . 2 . ]"
1 29 GLN 0.429 0.070 2 0 "[ . 1 . 2 . ]"
1 30 ARG 7.774 0.232 19 0 "[ . 1 . 2 . ]"
1 31 ASN 0.798 0.167 22 0 "[ . 1 . 2 . ]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 33 PHE 4.257 0.224 22 0 "[ . 1 . 2 . ]"
1 34 ILE 1.914 0.224 22 0 "[ . 1 . 2 . ]"
1 35 GLN 1.058 0.180 22 0 "[ . 1 . 2 . ]"
1 36 SER 0.852 0.050 26 0 "[ . 1 . 2 . ]"
1 37 LEU 4.080 0.136 11 0 "[ . 1 . 2 . ]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 39 ASP 0.327 0.099 26 0 "[ . 1 . 2 . ]"
1 40 ASP 0.469 0.063 12 0 "[ . 1 . 2 . ]"
1 41 PRO 0.325 0.065 19 0 "[ . 1 . 2 . ]"
1 42 SER 0.021 0.021 4 0 "[ . 1 . 2 . ]"
1 43 GLN 2.767 0.129 8 0 "[ . 1 . 2 . ]"
1 44 SER 2.814 0.136 11 0 "[ . 1 . 2 . ]"
1 45 ALA 0.011 0.011 12 0 "[ . 1 . 2 . ]"
1 46 ASN 0.090 0.046 6 0 "[ . 1 . 2 . ]"
1 47 LEU 3.406 0.255 3 0 "[ . 1 . 2 . ]"
1 48 LEU 0.377 0.040 12 0 "[ . 1 . 2 . ]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 50 GLU 0.652 0.255 3 0 "[ . 1 . 2 . ]"
1 51 ALA 0.310 0.085 18 0 "[ . 1 . 2 . ]"
1 52 LYS 0.432 0.054 23 0 "[ . 1 . 2 . ]"
1 53 LYS 0.056 0.039 20 0 "[ . 1 . 2 . ]"
1 54 LEU 0.641 0.062 20 0 "[ . 1 . 2 . ]"
1 55 ASN 2.987 0.312 18 0 "[ . 1 . 2 . ]"
1 56 ASP 0.177 0.062 20 0 "[ . 1 . 2 . ]"
1 57 ALA 0.095 0.095 22 0 "[ . 1 . 2 . ]"
1 58 GLN 1.553 0.133 22 0 "[ . 1 . 2 . ]"
1 59 ALA 0.757 0.149 26 0 "[ . 1 . 2 . ]"
1 60 PRO 1.068 0.139 19 0 "[ . 1 . 2 . ]"
1 61 LYS 0.638 0.222 15 0 "[ . 1 . 2 . ]"
1 62 ALA 0.747 0.222 15 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 34 ILE MD 1 35 GLN H 5.000 . 5.500 4.327 3.763 4.702 . 0 0 "[ . 1 . 2 . ]" 1
2 1 34 ILE H 1 35 GLN H 3.000 . 3.500 2.628 2.533 2.780 . 0 0 "[ . 1 . 2 . ]" 1
3 1 34 ILE HB 1 35 GLN H 4.000 . 4.500 2.632 2.432 3.857 . 0 0 "[ . 1 . 2 . ]" 1
4 1 34 ILE HG13 1 35 GLN H 3.000 . 3.500 3.521 3.318 3.680 0.180 22 0 "[ . 1 . 2 . ]" 1
5 1 34 ILE HA 1 35 GLN H 5.000 . 5.500 3.530 3.506 3.552 . 0 0 "[ . 1 . 2 . ]" 1
6 1 34 ILE MG 1 35 GLN H 5.000 . 5.500 3.802 1.876 4.066 . 0 0 "[ . 1 . 2 . ]" 1
7 1 35 GLN H 1 36 SER H 5.000 . 5.500 2.755 2.664 2.846 . 0 0 "[ . 1 . 2 . ]" 1
8 1 31 ASN HA 1 35 GLN QG 5.000 . 5.500 4.386 3.427 5.507 0.007 11 0 "[ . 1 . 2 . ]" 1
9 1 31 ASN HA 1 34 ILE MD 5.000 . 5.500 2.206 1.846 4.737 . 0 0 "[ . 1 . 2 . ]" 1
10 1 16 PHE QE 1 34 ILE MD 5.000 . 5.500 2.984 1.808 4.055 . 0 0 "[ . 1 . 2 . ]" 1
11 1 16 PHE HA 1 34 ILE MD 5.000 . 5.500 4.667 2.840 5.493 . 0 0 "[ . 1 . 2 . ]" 1
12 1 31 ASN HA 1 34 ILE H 5.000 . 5.500 3.267 3.151 3.413 . 0 0 "[ . 1 . 2 . ]" 1
13 1 19 ILE MG 1 34 ILE H 4.000 . 4.500 3.111 2.453 3.682 . 0 0 "[ . 1 . 2 . ]" 1
14 1 31 ASN HA 1 34 ILE HB 3.000 . 3.500 3.428 3.170 3.667 0.167 22 0 "[ . 1 . 2 . ]" 1
15 1 20 LEU MD1 1 34 ILE MG 4.000 . 4.500 3.294 2.156 3.900 . 0 0 "[ . 1 . 2 . ]" 1
16 1 31 ASN HA 1 34 ILE MG 5.000 . 5.500 4.171 1.731 4.661 0.069 22 0 "[ . 1 . 2 . ]" 1
17 1 23 PRO HD2 1 55 ASN HD21 4.000 . 4.500 3.982 2.264 4.535 0.035 7 0 "[ . 1 . 2 . ]" 1
18 1 22 LEU HA 1 23 PRO HD2 3.000 . 3.500 2.597 2.389 2.815 . 0 0 "[ . 1 . 2 . ]" 1
19 1 22 LEU HA 1 23 PRO HD3 3.000 . 3.500 2.617 1.973 3.060 . 0 0 "[ . 1 . 2 . ]" 1
20 1 22 LEU HA 1 23 PRO QG 4.000 . 4.500 4.199 3.808 4.377 . 0 0 "[ . 1 . 2 . ]" 1
21 1 9 ASN HB2 1 10 LYS HA 5.000 . 5.500 4.797 3.916 5.693 0.193 2 0 "[ . 1 . 2 . ]" 1
22 1 8 PHE HA 1 9 ASN H 3.000 . 3.500 2.508 2.199 3.541 0.041 17 0 "[ . 1 . 2 . ]" 1
23 1 8 PHE HB3 1 9 ASN H 4.000 . 4.500 3.767 1.772 4.375 0.028 3 0 "[ . 1 . 2 . ]" 1
24 1 9 ASN H 1 13 GLN QB 5.000 . 5.500 4.020 1.990 4.818 . 0 0 "[ . 1 . 2 . ]" 1
25 1 9 ASN H 1 12 GLN HB2 5.000 . 5.500 3.451 2.023 4.524 . 0 0 "[ . 1 . 2 . ]" 1
26 1 7 LYS QD 1 9 ASN HD22 5.000 . 5.500 4.229 2.157 5.511 0.011 13 0 "[ . 1 . 2 . ]" 1
27 1 9 ASN HB3 1 10 LYS H 3.000 . 3.500 2.438 1.796 3.528 0.028 26 0 "[ . 1 . 2 . ]" 1
28 1 9 ASN HB3 1 10 LYS HA 5.000 . 5.500 4.864 3.908 5.629 0.129 17 0 "[ . 1 . 2 . ]" 1
29 1 28 GLU H 1 29 GLN H 3.000 . 3.500 2.303 2.159 2.401 . 0 0 "[ . 1 . 2 . ]" 1
30 1 26 ASN HD21 1 28 GLU H 4.000 . 4.500 3.858 2.520 4.503 0.003 20 0 "[ . 1 . 2 . ]" 1
31 1 28 GLU QG 1 31 ASN HB3 5.000 . 5.500 4.576 3.708 5.533 0.033 21 0 "[ . 1 . 2 . ]" 1
32 1 28 GLU HA 1 31 ASN HB3 4.000 . 4.500 3.164 2.589 4.379 . 0 0 "[ . 1 . 2 . ]" 1
33 1 19 ILE QG 1 48 LEU QD 5.000 . 5.500 3.253 2.051 4.354 . 0 0 "[ . 1 . 2 . ]" 1
34 1 19 ILE MD 1 34 ILE HA 5.000 . 5.500 4.246 3.053 5.524 0.024 23 0 "[ . 1 . 2 . ]" 1
35 1 19 ILE MD 1 48 LEU HB2 5.000 . 5.500 3.790 2.483 5.109 . 0 0 "[ . 1 . 2 . ]" 1
36 1 19 ILE MD 1 48 LEU QD 4.000 . 4.500 2.804 1.764 3.801 0.036 4 0 "[ . 1 . 2 . ]" 1
37 1 19 ILE MD 1 48 LEU HA 3.000 . 3.500 2.662 1.873 3.518 0.018 3 0 "[ . 1 . 2 . ]" 1
38 1 19 ILE MD 1 33 PHE QB 3.000 . 3.500 2.777 2.068 3.540 0.040 2 0 "[ . 1 . 2 . ]" 1
39 1 19 ILE H 1 20 LEU H 5.000 . 5.500 2.525 2.186 2.936 . 0 0 "[ . 1 . 2 . ]" 1
40 1 18 GLU HB2 1 19 ILE H 5.000 . 5.500 3.289 2.505 3.975 . 0 0 "[ . 1 . 2 . ]" 1
41 1 18 GLU QG 1 19 ILE H 5.000 . 5.500 3.876 1.782 4.637 0.018 7 0 "[ . 1 . 2 . ]" 1
42 1 18 GLU HA 1 19 ILE H 5.000 . 5.500 3.441 3.353 3.556 . 0 0 "[ . 1 . 2 . ]" 1
43 1 18 GLU HB3 1 19 ILE H 5.000 . 5.500 3.367 2.235 4.012 . 0 0 "[ . 1 . 2 . ]" 1
44 1 16 PHE HA 1 19 ILE H 4.000 . 4.500 3.833 3.570 4.186 . 0 0 "[ . 1 . 2 . ]" 1
45 1 19 ILE HA 1 48 LEU QD 5.000 . 5.500 4.789 3.872 5.507 0.007 1 0 "[ . 1 . 2 . ]" 1
46 1 19 ILE HA 1 22 LEU MD1 3.000 . 3.500 2.657 2.132 3.538 0.038 18 0 "[ . 1 . 2 . ]" 1
47 1 19 ILE HA 1 22 LEU HG 3.000 . 3.500 2.328 1.790 3.870 0.370 18 0 "[ . 1 . 2 . ]" 1
48 1 19 ILE HA 1 22 LEU HA 5.000 . 5.500 5.095 4.706 5.566 0.066 23 0 "[ . 1 . 2 . ]" 1
49 1 19 ILE MG 1 30 ARG QG 4.000 . 4.500 3.216 2.583 4.027 . 0 0 "[ . 1 . 2 . ]" 1
50 1 19 ILE MG 1 20 LEU H 4.000 . 4.500 3.099 2.557 3.510 . 0 0 "[ . 1 . 2 . ]" 1
51 1 19 ILE MG 1 33 PHE QD 4.000 . 4.500 3.150 2.401 3.706 . 0 0 "[ . 1 . 2 . ]" 1
52 1 19 ILE MG 1 33 PHE QB 3.000 . 3.500 1.960 1.778 2.298 0.022 7 0 "[ . 1 . 2 . ]" 1
53 1 3 THR HA 1 4 ALA H 4.000 . 4.500 3.000 2.130 3.576 . 0 0 "[ . 1 . 2 . ]" 1
54 1 3 THR H 1 4 ALA HA 5.000 . 5.500 4.955 4.244 5.564 0.064 20 0 "[ . 1 . 2 . ]" 1
55 1 17 TRP HA 1 20 LEU MD2 5.000 . 5.500 3.485 2.949 3.772 . 0 0 "[ . 1 . 2 . ]" 1
56 1 20 LEU MD1 1 30 ARG HD2 3.000 . 3.500 3.448 3.130 3.606 0.106 21 0 "[ . 1 . 2 . ]" 1
57 1 20 LEU H 1 34 ILE MD 5.000 . 5.500 4.416 3.285 5.113 . 0 0 "[ . 1 . 2 . ]" 1
58 1 20 LEU H 1 21 HIS H 3.000 . 3.500 2.612 2.323 2.937 . 0 0 "[ . 1 . 2 . ]" 1
59 1 18 GLU HA 1 20 LEU H 5.000 . 5.500 4.513 4.243 4.751 . 0 0 "[ . 1 . 2 . ]" 1
60 1 19 ILE HB 1 20 LEU H 5.000 . 5.500 2.605 2.318 2.785 . 0 0 "[ . 1 . 2 . ]" 1
61 1 19 ILE HA 1 20 LEU H 4.000 . 4.500 3.528 3.491 3.550 . 0 0 "[ . 1 . 2 . ]" 1
62 1 17 TRP HA 1 20 LEU H 5.000 . 5.500 3.358 2.853 3.753 . 0 0 "[ . 1 . 2 . ]" 1
63 1 20 LEU HA 1 30 ARG HD2 2.600 . 3.000 2.355 1.869 2.978 . 0 0 "[ . 1 . 2 . ]" 1
64 1 19 ILE MG 1 20 LEU HA 5.000 . 5.500 3.228 2.885 3.561 . 0 0 "[ . 1 . 2 . ]" 1
65 1 32 GLY H 1 33 PHE H 3.000 . 3.500 2.698 2.522 2.757 . 0 0 "[ . 1 . 2 . ]" 1
66 1 31 ASN HB2 1 32 GLY H 5.000 . 5.500 3.655 3.073 4.022 . 0 0 "[ . 1 . 2 . ]" 1
67 1 31 ASN HA 1 32 GLY H 5.000 . 5.500 3.573 3.539 3.593 . 0 0 "[ . 1 . 2 . ]" 1
68 1 31 ASN HB3 1 32 GLY H 5.000 . 5.500 2.525 2.323 3.949 . 0 0 "[ . 1 . 2 . ]" 1
69 1 18 GLU HB2 1 48 LEU QD 4.000 . 4.500 3.567 2.387 4.481 . 0 0 "[ . 1 . 2 . ]" 1
70 1 18 GLU H 1 19 ILE H 4.000 . 4.500 2.647 2.554 2.772 . 0 0 "[ . 1 . 2 . ]" 1
71 1 17 TRP HA 1 18 GLU H 5.000 . 5.500 3.556 3.518 3.583 . 0 0 "[ . 1 . 2 . ]" 1
72 1 17 TRP QB 1 18 GLU H 4.000 . 4.500 2.518 2.233 2.794 . 0 0 "[ . 1 . 2 . ]" 1
73 1 18 GLU HA 1 21 HIS HB3 4.000 . 4.500 3.283 2.012 4.514 0.014 25 0 "[ . 1 . 2 . ]" 1
74 1 15 ALA MB 1 18 GLU HB3 5.000 . 5.500 5.084 3.985 5.558 0.058 10 0 "[ . 1 . 2 . ]" 1
75 1 44 SER HA 1 46 ASN H 5.000 . 5.500 4.660 4.384 4.853 . 0 0 "[ . 1 . 2 . ]" 1
76 1 46 ASN H 1 47 LEU H 5.000 . 5.500 2.627 2.554 2.710 . 0 0 "[ . 1 . 2 . ]" 1
77 1 43 GLN HA 1 46 ASN H 5.000 . 5.500 3.161 2.961 3.491 . 0 0 "[ . 1 . 2 . ]" 1
78 1 43 GLN HA 1 46 ASN QB 4.000 . 4.500 2.893 2.527 3.356 . 0 0 "[ . 1 . 2 . ]" 1
79 1 43 GLN HB3 1 46 ASN QB 3.000 . 3.500 2.953 2.549 3.228 . 0 0 "[ . 1 . 2 . ]" 1
80 1 57 ALA H 1 58 GLN H 2.600 . 3.000 2.578 2.327 2.889 . 0 0 "[ . 1 . 2 . ]" 1
81 1 53 LYS QB 1 57 ALA H 5.000 . 5.500 4.778 4.594 4.919 . 0 0 "[ . 1 . 2 . ]" 1
82 1 56 ASP HA 1 57 ALA H 5.000 . 5.500 3.521 3.418 3.581 . 0 0 "[ . 1 . 2 . ]" 1
83 1 54 LEU HA 1 57 ALA MB 5.000 . 5.500 2.715 1.882 3.744 . 0 0 "[ . 1 . 2 . ]" 1
84 1 57 ALA MB 1 58 GLN H 3.000 . 3.500 2.730 2.400 2.935 . 0 0 "[ . 1 . 2 . ]" 1
85 1 29 GLN HG2 1 54 LEU QD 5.000 . 5.500 3.191 1.832 4.660 . 0 0 "[ . 1 . 2 . ]" 1
86 1 29 GLN HE21 1 54 LEU QD 4.000 . 4.500 3.092 1.915 4.463 . 0 0 "[ . 1 . 2 . ]" 1
87 1 27 GLU QB 1 29 GLN H 5.000 . 5.500 4.713 4.448 4.850 . 0 0 "[ . 1 . 2 . ]" 1
88 1 26 ASN HA 1 29 GLN H 5.000 . 5.500 4.142 3.950 4.406 . 0 0 "[ . 1 . 2 . ]" 1
89 1 28 GLU HA 1 29 GLN H 5.000 . 5.500 3.393 3.341 3.489 . 0 0 "[ . 1 . 2 . ]" 1
90 1 28 GLU QB 1 29 GLN H 5.000 . 5.500 2.997 2.794 3.553 . 0 0 "[ . 1 . 2 . ]" 1
91 1 29 GLN HA 1 30 ARG QG 5.000 . 5.500 5.397 4.880 5.570 0.070 2 0 "[ . 1 . 2 . ]" 1
92 1 29 GLN HB3 1 54 LEU QD 5.000 . 5.500 3.312 2.394 4.590 . 0 0 "[ . 1 . 2 . ]" 1
93 1 29 GLN HB3 1 30 ARG H 3.000 . 3.500 3.123 2.525 3.462 . 0 0 "[ . 1 . 2 . ]" 1
94 1 25 LEU MD2 1 29 GLN HB3 5.000 . 5.500 2.058 1.788 3.108 0.012 5 0 "[ . 1 . 2 . ]" 1
95 1 26 ASN HB2 1 27 GLU H 5.000 . 5.500 4.525 3.605 4.668 . 0 0 "[ . 1 . 2 . ]" 1
96 1 26 ASN HA 1 27 GLU H 4.000 . 4.500 2.237 2.130 2.326 . 0 0 "[ . 1 . 2 . ]" 1
97 1 27 GLU HA 1 29 GLN HB2 5.000 . 5.500 4.860 4.571 5.557 0.057 19 0 "[ . 1 . 2 . ]" 1
98 1 27 GLU HA 1 30 ARG HB2 5.000 . 5.500 2.206 1.799 3.741 0.001 12 0 "[ . 1 . 2 . ]" 1
99 1 27 GLU HA 1 30 ARG HB3 5.000 . 5.500 3.694 3.391 4.293 . 0 0 "[ . 1 . 2 . ]" 1
100 1 22 LEU HA 1 30 ARG HD2 5.000 . 5.500 5.650 5.518 5.732 0.232 19 0 "[ . 1 . 2 . ]" 1
101 1 22 LEU HB3 1 30 ARG HD2 5.000 . 5.500 4.708 4.173 5.084 . 0 0 "[ . 1 . 2 . ]" 1
102 1 27 GLU QG 1 30 ARG HB2 5.000 . 5.500 4.041 2.622 5.026 . 0 0 "[ . 1 . 2 . ]" 1
103 1 30 ARG HB2 1 34 ILE MD 5.000 . 5.500 4.275 3.054 5.528 0.028 22 0 "[ . 1 . 2 . ]" 1
104 1 27 GLU HA 1 30 ARG H 5.000 . 5.500 2.760 2.594 3.016 . 0 0 "[ . 1 . 2 . ]" 1
105 1 29 GLN HB2 1 30 ARG H 5.000 . 5.500 3.078 2.768 3.702 . 0 0 "[ . 1 . 2 . ]" 1
106 1 29 GLN HG3 1 30 ARG H 5.000 . 5.500 4.988 4.195 5.251 . 0 0 "[ . 1 . 2 . ]" 1
107 1 25 LEU MD2 1 30 ARG H 5.000 . 5.500 2.526 2.050 3.409 . 0 0 "[ . 1 . 2 . ]" 1
108 1 27 GLU HA 1 30 ARG HE 5.000 . 5.500 3.217 1.977 3.962 . 0 0 "[ . 1 . 2 . ]" 1
109 1 22 LEU MD1 1 30 ARG HE 5.000 . 5.500 4.718 3.585 5.537 0.037 18 0 "[ . 1 . 2 . ]" 1
110 1 22 LEU HB3 1 30 ARG HE 5.000 . 5.500 4.018 2.444 5.572 0.072 15 0 "[ . 1 . 2 . ]" 1
111 1 20 LEU HA 1 30 ARG HD3 3.000 . 3.500 3.565 3.486 3.619 0.119 23 0 "[ . 1 . 2 . ]" 1
112 1 25 LEU MD2 1 30 ARG QG 5.000 . 5.500 1.782 1.673 1.928 0.127 19 0 "[ . 1 . 2 . ]" 1
113 1 25 LEU MD2 1 30 ARG HA 5.000 . 5.500 2.669 2.182 3.014 . 0 0 "[ . 1 . 2 . ]" 1
114 1 30 ARG HA 1 33 PHE QD 5.000 . 5.500 2.514 2.047 3.208 . 0 0 "[ . 1 . 2 . ]" 1
115 1 25 LEU MD2 1 30 ARG HB3 5.000 . 5.500 3.846 3.244 4.070 . 0 0 "[ . 1 . 2 . ]" 1
116 1 19 ILE HA 1 30 ARG HB3 5.000 . 5.500 4.996 4.153 5.501 0.001 7 0 "[ . 1 . 2 . ]" 1
117 1 24 ASN QB 1 59 ALA H 5.000 . 5.500 4.137 1.851 5.161 . 0 0 "[ . 1 . 2 . ]" 1
118 1 56 ASP HA 1 59 ALA H 5.000 . 5.500 3.634 3.239 4.511 . 0 0 "[ . 1 . 2 . ]" 1
119 1 59 ALA MB 1 60 PRO HD3 4.000 . 4.500 3.435 2.043 4.506 0.006 17 0 "[ . 1 . 2 . ]" 1
120 1 56 ASP HA 1 59 ALA MB 5.000 . 5.500 2.976 2.059 4.490 . 0 0 "[ . 1 . 2 . ]" 1
121 1 40 ASP HA 1 42 SER H 4.000 . 4.500 3.650 3.421 4.014 . 0 0 "[ . 1 . 2 . ]" 1
122 1 41 PRO HB2 1 42 SER H 5.000 . 5.500 3.436 3.208 3.660 . 0 0 "[ . 1 . 2 . ]" 1
123 1 41 PRO HD3 1 42 SER H 5.000 . 5.500 3.683 3.494 3.847 . 0 0 "[ . 1 . 2 . ]" 1
124 1 41 PRO HG3 1 42 SER H 5.000 . 5.500 3.853 3.667 4.061 . 0 0 "[ . 1 . 2 . ]" 1
125 1 41 PRO HA 1 42 SER H 5.000 . 5.500 3.501 3.453 3.556 . 0 0 "[ . 1 . 2 . ]" 1
126 1 42 SER H 1 43 GLN H 2.600 . 3.000 2.525 2.358 2.803 . 0 0 "[ . 1 . 2 . ]" 1
127 1 42 SER QB 1 43 GLN HA 4.000 . 4.500 4.170 3.918 4.521 0.021 4 0 "[ . 1 . 2 . ]" 1
128 1 22 LEU MD2 1 55 ASN HB2 3.000 . 3.500 2.365 1.814 3.563 0.063 18 0 "[ . 1 . 2 . ]" 1
129 1 22 LEU MD2 1 55 ASN HD22 4.000 . 4.500 3.173 2.400 4.577 0.077 18 0 "[ . 1 . 2 . ]" 1
130 1 22 LEU MD2 1 55 ASN HB3 3.000 . 3.500 2.558 1.832 3.812 0.312 18 0 "[ . 1 . 2 . ]" 1
131 1 22 LEU MD2 1 23 PRO HD2 5.000 . 5.500 3.745 3.117 5.187 . 0 0 "[ . 1 . 2 . ]" 1
132 1 22 LEU MD2 1 23 PRO HD3 4.000 . 4.500 3.942 3.093 4.669 0.169 18 0 "[ . 1 . 2 . ]" 1
133 1 22 LEU MD1 1 55 ASN HB2 4.000 . 4.500 2.557 1.784 3.813 0.016 17 0 "[ . 1 . 2 . ]" 1
134 1 22 LEU MD1 1 55 ASN HB3 3.000 . 3.500 3.241 1.781 3.557 0.057 5 0 "[ . 1 . 2 . ]" 1
135 1 22 LEU MD1 1 30 ARG QG 4.000 . 4.500 2.523 1.895 4.502 0.002 18 0 "[ . 1 . 2 . ]" 1
136 1 22 LEU MD1 1 51 ALA MB 2.600 . 3.000 2.063 1.777 3.085 0.085 18 0 "[ . 1 . 2 . ]" 1
137 1 19 ILE MG 1 22 LEU HB2 4.000 . 4.500 4.390 3.970 4.582 0.082 19 0 "[ . 1 . 2 . ]" 1
138 1 21 HIS HA 1 22 LEU H 5.000 . 5.500 3.538 3.178 3.581 . 0 0 "[ . 1 . 2 . ]" 1
139 1 19 ILE HA 1 22 LEU H 4.000 . 4.500 3.955 3.702 4.115 . 0 0 "[ . 1 . 2 . ]" 1
140 1 22 LEU HG 1 25 LEU MD2 5.000 . 5.500 3.718 2.411 4.512 . 0 0 "[ . 1 . 2 . ]" 1
141 1 22 LEU HG 1 25 LEU MD1 5.000 . 5.500 4.511 2.778 5.529 0.029 17 0 "[ . 1 . 2 . ]" 1
142 1 22 LEU HB3 1 30 ARG HD3 3.000 . 3.500 3.147 2.696 3.503 0.003 20 0 "[ . 1 . 2 . ]" 1
143 1 19 ILE HA 1 22 LEU HB3 5.000 . 5.500 4.930 4.523 5.189 . 0 0 "[ . 1 . 2 . ]" 1
144 1 16 PHE HB2 1 37 LEU MD2 3.000 . 3.500 3.497 3.048 3.567 0.067 12 0 "[ . 1 . 2 . ]" 1
145 1 13 GLN HA 1 16 PHE HB2 5.000 . 5.500 3.563 2.977 4.027 . 0 0 "[ . 1 . 2 . ]" 1
146 1 15 ALA MB 1 16 PHE HB2 5.000 . 5.500 4.145 3.940 4.436 . 0 0 "[ . 1 . 2 . ]" 1
147 1 16 PHE H 1 37 LEU MD2 4.000 . 4.500 3.311 2.984 3.506 . 0 0 "[ . 1 . 2 . ]" 1
148 1 16 PHE H 1 37 LEU MD1 5.000 . 5.500 5.307 4.822 5.531 0.031 11 0 "[ . 1 . 2 . ]" 1
149 1 13 GLN HA 1 16 PHE H 5.000 . 5.500 3.327 3.062 3.548 . 0 0 "[ . 1 . 2 . ]" 1
150 1 15 ALA HA 1 16 PHE H 5.000 . 5.500 3.572 3.531 3.614 . 0 0 "[ . 1 . 2 . ]" 1
151 1 16 PHE H 1 19 ILE MD 5.000 . 5.500 4.183 3.330 5.591 0.091 7 0 "[ . 1 . 2 . ]" 1
152 1 16 PHE HZ 1 20 LEU MD2 4.000 . 4.500 3.134 2.275 4.069 . 0 0 "[ . 1 . 2 . ]" 1
153 1 16 PHE HZ 1 20 LEU MD1 5.000 . 5.500 3.862 3.294 4.740 . 0 0 "[ . 1 . 2 . ]" 1
154 1 16 PHE QE 1 20 LEU MD2 4.000 . 4.500 2.263 1.798 2.960 0.002 4 0 "[ . 1 . 2 . ]" 1
155 1 16 PHE QE 1 20 LEU MD1 3.000 . 3.500 3.277 1.877 3.561 0.061 9 0 "[ . 1 . 2 . ]" 1
156 1 16 PHE QE 1 17 TRP HE1 4.000 . 4.500 4.321 3.192 4.542 0.042 26 0 "[ . 1 . 2 . ]" 1
157 1 16 PHE QE 1 17 TRP HA 5.000 . 5.500 4.454 3.938 5.246 . 0 0 "[ . 1 . 2 . ]" 1
158 1 16 PHE QD 1 37 LEU MD2 5.000 . 5.500 4.048 3.514 4.588 . 0 0 "[ . 1 . 2 . ]" 1
159 1 16 PHE QD 1 34 ILE MD 4.000 . 4.500 3.801 1.780 4.510 0.020 22 0 "[ . 1 . 2 . ]" 1
160 1 16 PHE QD 1 34 ILE MG 4.000 . 4.500 2.340 1.895 4.554 0.054 22 0 "[ . 1 . 2 . ]" 1
161 1 16 PHE QD 1 20 LEU HB3 5.000 . 5.500 5.098 4.056 5.594 0.094 19 0 "[ . 1 . 2 . ]" 1
162 1 16 PHE QD 1 17 TRP HD1 4.000 . 4.500 2.437 1.960 4.014 . 0 0 "[ . 1 . 2 . ]" 1
163 1 16 PHE QD 1 17 TRP HA 5.000 . 5.500 3.321 2.475 4.389 . 0 0 "[ . 1 . 2 . ]" 1
164 1 16 PHE HA 1 19 ILE HB 4.000 . 4.500 2.677 2.372 3.031 . 0 0 "[ . 1 . 2 . ]" 1
165 1 13 GLN QG 1 16 PHE HB3 4.000 . 4.500 3.244 2.470 4.535 0.035 23 0 "[ . 1 . 2 . ]" 1
166 1 13 GLN HA 1 16 PHE HB3 4.000 . 4.500 3.715 3.035 4.515 0.015 18 0 "[ . 1 . 2 . ]" 1
167 1 16 PHE HB3 1 17 TRP H 4.000 . 4.500 2.189 2.143 2.389 . 0 0 "[ . 1 . 2 . ]" 1
168 1 60 PRO HB2 1 61 LYS H 5.000 . 5.500 3.445 1.784 4.385 0.016 6 0 "[ . 1 . 2 . ]" 1
169 1 60 PRO HA 1 61 LYS H 3.000 . 3.500 2.853 2.161 3.552 0.052 11 0 "[ . 1 . 2 . ]" 1
170 1 51 ALA H 1 52 LYS H 3.000 . 3.500 2.569 2.465 2.768 . 0 0 "[ . 1 . 2 . ]" 1
171 1 50 GLU QG 1 51 ALA H 5.000 . 5.500 3.879 2.085 4.515 . 0 0 "[ . 1 . 2 . ]" 1
172 1 50 GLU HA 1 51 ALA H 5.000 . 5.500 3.538 3.505 3.564 . 0 0 "[ . 1 . 2 . ]" 1
173 1 51 ALA HA 1 54 LEU H 4.000 . 4.500 3.611 3.307 3.901 . 0 0 "[ . 1 . 2 . ]" 1
174 1 51 ALA HA 1 54 LEU QD 4.000 . 4.500 3.317 2.557 4.215 . 0 0 "[ . 1 . 2 . ]" 1
175 1 51 ALA HA 1 54 LEU QB 5.000 . 5.500 2.597 2.264 2.898 . 0 0 "[ . 1 . 2 . ]" 1
176 1 51 ALA MB 1 54 LEU QD 5.000 . 5.500 4.189 3.506 4.942 . 0 0 "[ . 1 . 2 . ]" 1
177 1 51 ALA MB 1 52 LYS H 4.000 . 4.500 2.613 2.373 2.786 . 0 0 "[ . 1 . 2 . ]" 1
178 1 48 LEU QD 1 51 ALA MB 5.000 . 5.500 3.713 3.107 4.420 . 0 0 "[ . 1 . 2 . ]" 1
179 1 48 LEU HA 1 51 ALA MB 4.000 . 4.500 2.992 2.424 3.446 . 0 0 "[ . 1 . 2 . ]" 1
180 1 19 ILE HA 1 51 ALA MB 5.000 . 5.500 3.335 2.777 3.805 . 0 0 "[ . 1 . 2 . ]" 1
181 1 19 ILE MG 1 51 ALA MB 3.000 . 3.500 3.154 2.175 3.550 0.050 2 0 "[ . 1 . 2 . ]" 1
182 1 26 ASN HD21 1 29 GLN HB2 5.000 . 5.500 4.476 2.925 5.479 . 0 0 "[ . 1 . 2 . ]" 1
183 1 26 ASN H 1 29 GLN HB3 5.000 . 5.500 4.134 3.312 4.584 . 0 0 "[ . 1 . 2 . ]" 1
184 1 25 LEU HB2 1 26 ASN H 5.000 . 5.500 4.046 3.752 4.275 . 0 0 "[ . 1 . 2 . ]" 1
185 1 25 LEU HA 1 26 ASN H 3.000 . 3.500 2.298 2.210 2.668 . 0 0 "[ . 1 . 2 . ]" 1
186 1 25 LEU HB3 1 26 ASN H 5.000 . 5.500 3.942 3.603 4.223 . 0 0 "[ . 1 . 2 . ]" 1
187 1 26 ASN HD22 1 28 GLU H 5.000 . 5.500 4.693 3.856 5.541 0.041 22 0 "[ . 1 . 2 . ]" 1
188 1 26 ASN HD22 1 28 GLU QB 5.000 . 5.500 4.150 2.405 5.504 0.004 22 0 "[ . 1 . 2 . ]" 1
189 1 26 ASN HB3 1 27 GLU H 5.000 . 5.500 3.936 3.389 4.333 . 0 0 "[ . 1 . 2 . ]" 1
190 1 12 GLN HE21 1 42 SER HA 5.000 . 5.500 4.514 3.889 4.841 . 0 0 "[ . 1 . 2 . ]" 1
191 1 8 PHE HA 1 12 GLN H 4.000 . 4.500 4.115 3.353 4.567 0.067 24 0 "[ . 1 . 2 . ]" 1
192 1 12 GLN H 1 13 GLN H 3.000 . 3.500 2.630 2.410 2.865 . 0 0 "[ . 1 . 2 . ]" 1
193 1 11 GLU QG 1 12 GLN H 5.000 . 5.500 3.731 1.889 4.531 . 0 0 "[ . 1 . 2 . ]" 1
194 1 11 GLU HA 1 12 GLN H 4.000 . 4.500 3.557 3.504 3.597 . 0 0 "[ . 1 . 2 . ]" 1
195 1 11 GLU QB 1 12 GLN H 5.000 . 5.500 2.717 2.366 3.484 . 0 0 "[ . 1 . 2 . ]" 1
196 1 12 GLN QG 1 37 LEU MD1 5.000 . 5.500 3.854 3.050 5.519 0.019 13 0 "[ . 1 . 2 . ]" 1
197 1 12 GLN HA 1 15 ALA MB 5.000 . 5.500 3.446 2.577 3.997 . 0 0 "[ . 1 . 2 . ]" 1
198 1 33 PHE H 1 34 ILE H 3.000 . 3.500 2.564 2.496 2.695 . 0 0 "[ . 1 . 2 . ]" 1
199 1 32 GLY QA 1 33 PHE H 5.000 . 5.500 2.743 2.705 2.791 . 0 0 "[ . 1 . 2 . ]" 1
200 1 33 PHE HZ 1 54 LEU QD 3.000 . 3.500 2.869 1.959 3.527 0.027 10 0 "[ . 1 . 2 . ]" 1
201 1 33 PHE HZ 1 54 LEU QB 3.000 . 3.500 3.402 3.020 3.544 0.044 11 0 "[ . 1 . 2 . ]" 1
202 1 33 PHE HZ 1 51 ALA HA 3.000 . 3.500 2.749 2.262 3.170 . 0 0 "[ . 1 . 2 . ]" 1
203 1 33 PHE HZ 1 50 GLU QB 5.000 . 5.500 2.493 1.963 4.013 . 0 0 "[ . 1 . 2 . ]" 1
204 1 33 PHE QE 1 54 LEU QB 5.000 . 5.500 3.230 2.843 3.589 . 0 0 "[ . 1 . 2 . ]" 1
205 1 29 GLN HB2 1 33 PHE QE 5.000 . 5.500 4.756 4.101 5.512 0.012 20 0 "[ . 1 . 2 . ]" 1
206 1 33 PHE QE 1 36 SER HB3 5.000 . 5.500 5.528 5.506 5.550 0.050 4 0 "[ . 1 . 2 . ]" 1
207 1 33 PHE QE 1 51 ALA MB 5.000 . 5.500 2.710 2.430 3.054 . 0 0 "[ . 1 . 2 . ]" 1
208 1 33 PHE QE 1 47 LEU MD2 5.000 . 5.500 4.265 3.076 4.985 . 0 0 "[ . 1 . 2 . ]" 1
209 1 33 PHE QE 1 47 LEU MD1 2.600 . 3.000 2.626 2.098 3.107 0.107 11 0 "[ . 1 . 2 . ]" 1
210 1 33 PHE QE 1 47 LEU HA 4.000 . 4.500 2.695 1.936 3.385 . 0 0 "[ . 1 . 2 . ]" 1
211 1 33 PHE QE 1 50 GLU QB 3.000 . 3.500 2.402 1.887 3.599 0.099 12 0 "[ . 1 . 2 . ]" 1
212 1 33 PHE QD 1 54 LEU QD 5.000 . 5.500 4.329 3.648 5.503 0.003 15 0 "[ . 1 . 2 . ]" 1
213 1 33 PHE QD 1 37 LEU HB2 5.000 . 5.500 4.555 4.033 5.176 . 0 0 "[ . 1 . 2 . ]" 1
214 1 33 PHE QD 1 51 ALA MB 5.000 . 5.500 2.602 2.237 2.891 . 0 0 "[ . 1 . 2 . ]" 1
215 1 33 PHE QD 1 51 ALA HA 4.000 . 4.500 3.830 3.474 4.245 . 0 0 "[ . 1 . 2 . ]" 1
216 1 33 PHE QD 1 47 LEU MD1 3.000 . 3.500 1.811 1.702 2.652 0.098 11 0 "[ . 1 . 2 . ]" 1
217 1 33 PHE QD 1 47 LEU HB2 4.000 . 4.500 4.253 3.592 4.608 0.108 10 0 "[ . 1 . 2 . ]" 1
218 1 33 PHE QD 1 47 LEU HA 5.000 . 5.500 2.958 2.625 3.568 . 0 0 "[ . 1 . 2 . ]" 1
219 1 33 PHE QD 1 47 LEU HB3 4.000 . 4.500 2.743 1.954 3.394 . 0 0 "[ . 1 . 2 . ]" 1
220 1 25 LEU MD1 1 33 PHE QD 3.000 . 3.500 3.545 3.484 3.607 0.107 22 0 "[ . 1 . 2 . ]" 1
221 1 19 ILE MD 1 33 PHE QD 5.000 . 5.500 3.918 3.039 4.557 . 0 0 "[ . 1 . 2 . ]" 1
222 1 33 PHE QB 1 34 ILE H 4.000 . 4.500 2.752 2.445 2.858 . 0 0 "[ . 1 . 2 . ]" 1
223 1 33 PHE QB 1 34 ILE HG13 5.000 . 5.500 3.907 3.252 5.724 0.224 22 0 "[ . 1 . 2 . ]" 1
224 1 30 ARG HA 1 33 PHE QB 5.000 . 5.500 2.522 1.979 2.909 . 0 0 "[ . 1 . 2 . ]" 1
225 1 37 LEU MD2 1 44 SER HA 5.000 . 5.500 2.935 2.252 3.409 . 0 0 "[ . 1 . 2 . ]" 1
226 1 37 LEU MD2 1 44 SER QB 5.000 . 5.500 3.600 2.678 4.304 . 0 0 "[ . 1 . 2 . ]" 1
227 1 8 PHE QE 1 37 LEU MD2 4.000 . 4.500 2.803 2.046 4.020 . 0 0 "[ . 1 . 2 . ]" 1
228 1 15 ALA HA 1 37 LEU MD2 5.000 . 5.500 4.215 4.020 4.477 . 0 0 "[ . 1 . 2 . ]" 1
229 1 16 PHE HA 1 37 LEU MD2 5.000 . 5.500 3.142 2.619 3.556 . 0 0 "[ . 1 . 2 . ]" 1
230 1 37 LEU MD1 1 44 SER HA 5.000 . 5.500 1.800 1.744 1.886 0.056 1 0 "[ . 1 . 2 . ]" 1
231 1 37 LEU MD1 1 44 SER QB 3.000 . 3.500 2.393 1.851 3.058 . 0 0 "[ . 1 . 2 . ]" 1
232 1 37 LEU MD1 1 41 PRO HA 5.000 . 5.500 2.657 2.339 2.888 . 0 0 "[ . 1 . 2 . ]" 1
233 1 37 LEU MD1 1 41 PRO HB3 4.000 . 4.500 4.434 4.165 4.565 0.065 19 0 "[ . 1 . 2 . ]" 1
234 1 36 SER HB2 1 37 LEU H 5.000 . 5.500 3.785 2.939 4.104 . 0 0 "[ . 1 . 2 . ]" 1
235 1 36 SER H 1 37 LEU H 4.000 . 4.500 2.643 2.567 2.731 . 0 0 "[ . 1 . 2 . ]" 1
236 1 36 SER HB3 1 37 LEU H 5.000 . 5.500 2.733 2.585 3.188 . 0 0 "[ . 1 . 2 . ]" 1
237 1 37 LEU HA 1 44 SER H 4.000 . 4.500 4.568 4.503 4.636 0.136 11 0 "[ . 1 . 2 . ]" 1
238 1 37 LEU HB3 1 38 LYS H 3.000 . 3.500 2.630 2.356 2.991 . 0 0 "[ . 1 . 2 . ]" 1
239 1 8 PHE HB3 1 13 GLN H 4.000 . 4.500 2.846 2.292 3.418 . 0 0 "[ . 1 . 2 . ]" 1
240 1 12 GLN HB2 1 13 GLN H 4.000 . 4.500 3.347 2.383 4.071 . 0 0 "[ . 1 . 2 . ]" 1
241 1 12 GLN HA 1 13 GLN H 5.000 . 5.500 3.555 3.508 3.603 . 0 0 "[ . 1 . 2 . ]" 1
242 1 13 GLN H 1 14 ASN H 3.000 . 3.500 2.753 2.636 2.942 . 0 0 "[ . 1 . 2 . ]" 1
243 1 13 GLN H 1 14 ASN QB 5.000 . 5.500 4.502 4.359 4.896 . 0 0 "[ . 1 . 2 . ]" 1
244 1 8 PHE HB3 1 13 GLN QG 4.000 . 4.500 3.724 3.071 4.499 . 0 0 "[ . 1 . 2 . ]" 1
245 1 13 GLN QG 1 14 ASN H 5.000 . 5.500 3.903 2.341 4.503 . 0 0 "[ . 1 . 2 . ]" 1
246 1 13 GLN QG 1 14 ASN HA 5.000 . 5.500 4.119 2.878 5.219 . 0 0 "[ . 1 . 2 . ]" 1
247 1 13 GLN QB 1 14 ASN H 4.000 . 4.500 2.828 2.506 3.572 . 0 0 "[ . 1 . 2 . ]" 1
248 1 13 GLN QB 1 14 ASN QB 5.000 . 5.500 4.317 4.009 5.008 . 0 0 "[ . 1 . 2 . ]" 1
249 1 54 LEU QB 1 55 ASN H 5.000 . 5.500 2.358 2.225 2.572 . 0 0 "[ . 1 . 2 . ]" 1
250 1 52 LYS HA 1 55 ASN H 5.000 . 5.500 3.906 3.708 4.099 . 0 0 "[ . 1 . 2 . ]" 1
251 1 51 ALA HA 1 55 ASN H 5.000 . 5.500 3.795 3.346 4.098 . 0 0 "[ . 1 . 2 . ]" 1
252 1 55 ASN H 1 56 ASP H 5.000 . 5.500 2.874 2.665 3.091 . 0 0 "[ . 1 . 2 . ]" 1
253 1 22 LEU MD2 1 55 ASN HD21 3.000 . 3.500 2.323 1.829 3.668 0.168 18 0 "[ . 1 . 2 . ]" 1
254 1 22 LEU HB2 1 55 ASN HD21 5.000 . 5.500 4.868 3.305 5.557 0.057 15 0 "[ . 1 . 2 . ]" 1
255 1 55 ASN HA 1 58 GLN HB2 5.000 . 5.500 4.681 2.433 5.563 0.063 22 0 "[ . 1 . 2 . ]" 1
256 1 55 ASN HA 1 58 GLN HB3 5.000 . 5.500 4.820 2.566 5.585 0.085 11 0 "[ . 1 . 2 . ]" 1
257 1 23 PRO HD2 1 55 ASN HD22 5.000 . 5.500 3.378 1.964 4.739 . 0 0 "[ . 1 . 2 . ]" 1
258 1 55 ASN HD22 1 56 ASP HA 5.000 . 5.500 5.072 3.956 5.521 0.021 17 0 "[ . 1 . 2 . ]" 1
259 1 54 LEU QD 1 55 ASN HB3 5.000 . 5.500 5.215 4.523 5.524 0.024 9 0 "[ . 1 . 2 . ]" 1
260 1 50 GLU H 1 52 LYS H 5.000 . 5.500 4.132 3.886 4.568 . 0 0 "[ . 1 . 2 . ]" 1
261 1 50 GLU H 1 51 ALA H 5.000 . 5.500 2.703 2.559 2.824 . 0 0 "[ . 1 . 2 . ]" 1
262 1 46 ASN HA 1 50 GLU QG 4.000 . 4.500 3.814 2.833 4.546 0.046 6 0 "[ . 1 . 2 . ]" 1
263 1 50 GLU HA 1 53 LYS QB 5.000 . 5.500 3.630 2.498 4.580 . 0 0 "[ . 1 . 2 . ]" 1
264 1 47 LEU HA 1 50 GLU QB 5.000 . 5.500 2.920 2.471 4.397 . 0 0 "[ . 1 . 2 . ]" 1
265 1 24 ASN H 1 27 GLU QB 5.000 . 5.500 5.739 5.647 5.824 0.324 17 0 "[ . 1 . 2 . ]" 1
266 1 23 PRO HD2 1 24 ASN H 5.000 . 5.500 5.126 4.813 5.282 . 0 0 "[ . 1 . 2 . ]" 1
267 1 23 PRO HB2 1 24 ASN H 5.000 . 5.500 4.272 4.187 4.358 . 0 0 "[ . 1 . 2 . ]" 1
268 1 23 PRO HA 1 24 ASN H 4.000 . 4.500 2.242 2.186 2.302 . 0 0 "[ . 1 . 2 . ]" 1
269 1 24 ASN H 1 25 LEU H 3.000 . 3.500 2.237 1.739 3.164 0.061 13 0 "[ . 1 . 2 . ]" 1
270 1 24 ASN HD21 1 59 ALA MB 3.000 . 3.500 2.470 1.826 3.218 . 0 0 "[ . 1 . 2 . ]" 1
271 1 24 ASN HD21 1 59 ALA HA 4.000 . 4.500 2.891 1.779 4.493 0.021 26 0 "[ . 1 . 2 . ]" 1
272 1 24 ASN HD21 1 60 PRO HD2 5.000 . 5.500 3.100 1.933 4.626 . 0 0 "[ . 1 . 2 . ]" 1
273 1 24 ASN HD22 1 59 ALA MB 3.000 . 3.500 3.065 1.849 3.649 0.149 26 0 "[ . 1 . 2 . ]" 1
274 1 24 ASN HD22 1 59 ALA HA 4.000 . 4.500 3.646 2.249 4.548 0.048 17 0 "[ . 1 . 2 . ]" 1
275 1 24 ASN HD22 1 60 PRO HD3 5.000 . 5.500 4.334 2.649 5.522 0.022 13 0 "[ . 1 . 2 . ]" 1
276 1 24 ASN QB 1 55 ASN HA 4.000 . 4.500 4.355 3.319 4.653 0.153 12 0 "[ . 1 . 2 . ]" 1
277 1 24 ASN QB 1 25 LEU HA 5.000 . 5.500 4.139 3.620 4.536 . 0 0 "[ . 1 . 2 . ]" 1
278 1 24 ASN QB 1 60 PRO HD2 3.000 . 3.500 2.990 1.882 3.619 0.119 17 0 "[ . 1 . 2 . ]" 1
279 1 37 LEU MD1 1 44 SER H 4.000 . 4.500 2.848 2.495 3.041 . 0 0 "[ . 1 . 2 . ]" 1
280 1 42 SER HA 1 44 SER H 5.000 . 5.500 3.726 3.576 3.890 . 0 0 "[ . 1 . 2 . ]" 1
281 1 44 SER H 1 45 ALA H 3.000 . 3.500 3.089 2.879 3.511 0.011 12 0 "[ . 1 . 2 . ]" 1
282 1 43 GLN HA 1 44 SER H 4.000 . 4.500 3.370 3.334 3.439 . 0 0 "[ . 1 . 2 . ]" 1
283 1 37 LEU HB2 1 44 SER HA 5.000 . 5.500 3.802 3.320 4.529 . 0 0 "[ . 1 . 2 . ]" 1
284 1 44 SER HA 1 48 LEU HB2 5.000 . 5.500 4.071 3.684 4.517 . 0 0 "[ . 1 . 2 . ]" 1
285 1 44 SER HA 1 47 LEU HG 5.000 . 5.500 4.525 3.678 5.558 0.058 3 0 "[ . 1 . 2 . ]" 1
286 1 44 SER HA 1 47 LEU HB3 4.000 . 4.500 4.449 4.018 4.619 0.119 12 0 "[ . 1 . 2 . ]" 1
287 1 44 SER QB 1 48 LEU HB2 4.000 . 4.500 4.210 3.643 4.540 0.040 12 0 "[ . 1 . 2 . ]" 1
288 1 48 LEU HB2 1 49 ALA H 4.000 . 4.500 3.565 2.588 3.931 . 0 0 "[ . 1 . 2 . ]" 1
289 1 18 GLU QG 1 48 LEU HG 5.000 . 5.500 5.264 4.213 5.528 0.028 3 0 "[ . 1 . 2 . ]" 1
290 1 19 ILE MD 1 48 LEU HG 5.000 . 5.500 3.884 2.597 5.101 . 0 0 "[ . 1 . 2 . ]" 1
291 1 44 SER HA 1 48 LEU H 5.000 . 5.500 3.594 3.312 4.048 . 0 0 "[ . 1 . 2 . ]" 1
292 1 47 LEU MD2 1 48 LEU H 5.000 . 5.500 3.958 3.800 4.382 . 0 0 "[ . 1 . 2 . ]" 1
293 1 47 LEU HB2 1 48 LEU H 4.000 . 4.500 2.549 2.418 2.775 . 0 0 "[ . 1 . 2 . ]" 1
294 1 47 LEU HA 1 48 LEU H 5.000 . 5.500 3.553 3.531 3.566 . 0 0 "[ . 1 . 2 . ]" 1
295 1 47 LEU HB3 1 48 LEU H 5.000 . 5.500 3.276 3.091 3.528 . 0 0 "[ . 1 . 2 . ]" 1
296 1 46 ASN H 1 48 LEU H 5.000 . 5.500 4.266 4.045 4.487 . 0 0 "[ . 1 . 2 . ]" 1
297 1 46 ASN QB 1 48 LEU H 5.000 . 5.500 4.882 4.698 5.074 . 0 0 "[ . 1 . 2 . ]" 1
298 1 19 ILE MD 1 48 LEU H 5.000 . 5.500 3.979 3.475 4.487 . 0 0 "[ . 1 . 2 . ]" 1
299 1 48 LEU H 1 49 ALA H 3.000 . 3.500 2.820 2.604 2.978 . 0 0 "[ . 1 . 2 . ]" 1
300 1 48 LEU H 1 49 ALA MB 5.000 . 5.500 4.438 4.239 4.558 . 0 0 "[ . 1 . 2 . ]" 1
301 1 48 LEU QD 1 52 LYS QE 5.000 . 5.500 3.322 1.935 4.902 . 0 0 "[ . 1 . 2 . ]" 1
302 1 18 GLU HB3 1 48 LEU QD 4.000 . 4.500 3.478 2.531 4.519 0.019 4 0 "[ . 1 . 2 . ]" 1
303 1 48 LEU QD 1 49 ALA MB 5.000 . 5.500 3.876 2.818 4.793 . 0 0 "[ . 1 . 2 . ]" 1
304 1 45 ALA HA 1 48 LEU HB3 5.000 . 5.500 3.131 2.553 4.477 . 0 0 "[ . 1 . 2 . ]" 1
305 1 48 LEU HB3 1 49 ALA H 3.000 . 3.500 2.579 2.233 3.474 . 0 0 "[ . 1 . 2 . ]" 1
306 1 25 LEU MD2 1 29 GLN HG2 5.000 . 5.500 3.976 2.218 5.514 0.014 4 0 "[ . 1 . 2 . ]" 1
307 1 25 LEU MD2 1 27 GLU HA 5.000 . 5.500 3.550 2.856 4.617 . 0 0 "[ . 1 . 2 . ]" 1
308 1 25 LEU MD1 1 29 GLN HB3 5.000 . 5.500 2.915 1.899 3.496 . 0 0 "[ . 1 . 2 . ]" 1
309 1 25 LEU MD1 1 55 ASN HA 4.000 . 4.500 2.501 1.888 2.980 . 0 0 "[ . 1 . 2 . ]" 1
310 1 25 LEU MD1 1 55 ASN HB3 4.000 . 4.500 3.315 2.254 4.517 0.017 26 0 "[ . 1 . 2 . ]" 1
311 1 25 LEU MD1 1 58 GLN HG2 4.000 . 4.500 3.625 2.266 4.633 0.133 22 0 "[ . 1 . 2 . ]" 1
312 1 25 LEU MD1 1 58 GLN HE21 5.000 . 5.500 4.483 1.947 5.190 . 0 0 "[ . 1 . 2 . ]" 1
313 1 25 LEU MD1 1 51 ALA HA 5.000 . 5.500 2.950 2.463 3.994 . 0 0 "[ . 1 . 2 . ]" 1
314 1 25 LEU MD1 1 26 ASN H 4.000 . 4.500 3.338 1.913 4.077 . 0 0 "[ . 1 . 2 . ]" 1
315 1 24 ASN HA 1 25 LEU H 4.000 . 4.500 3.292 2.973 3.586 . 0 0 "[ . 1 . 2 . ]" 1
316 1 24 ASN QB 1 25 LEU H 4.000 . 4.500 3.301 2.213 3.921 . 0 0 "[ . 1 . 2 . ]" 1
317 1 22 LEU HB2 1 25 LEU H 5.000 . 5.500 4.307 3.768 4.986 . 0 0 "[ . 1 . 2 . ]" 1
318 1 25 LEU HB3 1 54 LEU QD 5.000 . 5.500 5.144 4.519 5.537 0.037 10 0 "[ . 1 . 2 . ]" 1
319 1 25 LEU HB3 1 27 GLU HA 5.000 . 5.500 4.674 4.372 5.206 . 0 0 "[ . 1 . 2 . ]" 1
320 1 13 GLN HA 1 15 ALA H 5.000 . 5.500 3.952 3.702 4.118 . 0 0 "[ . 1 . 2 . ]" 1
321 1 12 GLN HA 1 15 ALA H 5.000 . 5.500 3.704 3.492 3.916 . 0 0 "[ . 1 . 2 . ]" 1
322 1 14 ASN HA 1 15 ALA H 5.000 . 5.500 3.519 3.454 3.572 . 0 0 "[ . 1 . 2 . ]" 1
323 1 15 ALA H 1 16 PHE H 3.000 . 3.500 2.834 2.766 2.930 . 0 0 "[ . 1 . 2 . ]" 1
324 1 15 ALA HA 1 48 LEU QD 3.000 . 3.500 2.198 1.815 3.178 . 0 0 "[ . 1 . 2 . ]" 1
325 1 15 ALA MB 1 44 SER HA 5.000 . 5.500 3.810 3.302 4.310 . 0 0 "[ . 1 . 2 . ]" 1
326 1 15 ALA MB 1 44 SER QB 4.000 . 4.500 3.562 2.521 4.203 . 0 0 "[ . 1 . 2 . ]" 1
327 1 15 ALA MB 1 37 LEU MD2 5.000 . 5.500 1.973 1.776 2.266 0.024 26 0 "[ . 1 . 2 . ]" 1
328 1 15 ALA MB 1 16 PHE H 3.000 . 3.500 2.552 2.329 2.821 . 0 0 "[ . 1 . 2 . ]" 1
329 1 28 GLU HA 1 31 ASN HB2 5.000 . 5.500 3.456 2.747 4.940 . 0 0 "[ . 1 . 2 . ]" 1
330 1 30 ARG HB2 1 31 ASN H 5.000 . 5.500 2.448 2.232 2.997 . 0 0 "[ . 1 . 2 . ]" 1
331 1 31 ASN H 1 32 GLY H 4.000 . 4.500 2.804 2.434 2.964 . 0 0 "[ . 1 . 2 . ]" 1
332 1 28 GLU HA 1 31 ASN H 5.000 . 5.500 3.441 3.202 3.711 . 0 0 "[ . 1 . 2 . ]" 1
333 1 31 ASN HD22 1 35 GLN HE21 3.000 . 3.500 3.197 2.348 3.541 0.041 8 0 "[ . 1 . 2 . ]" 1
334 1 8 PHE HB2 1 13 GLN QB 3.000 . 3.500 3.479 3.001 3.573 0.073 15 0 "[ . 1 . 2 . ]" 1
335 1 8 PHE H 1 12 GLN QG 4.000 . 4.500 4.198 2.032 4.573 0.073 2 0 "[ . 1 . 2 . ]" 1
336 1 7 LYS HA 1 8 PHE H 5.000 . 5.500 2.995 2.154 3.581 . 0 0 "[ . 1 . 2 . ]" 1
337 1 8 PHE HZ 1 37 LEU MD2 5.000 . 5.500 4.025 3.116 4.803 . 0 0 "[ . 1 . 2 . ]" 1
338 1 8 PHE HZ 1 37 LEU HB2 5.000 . 5.500 5.081 4.412 5.566 0.066 26 0 "[ . 1 . 2 . ]" 1
339 1 6 ASN QB 1 8 PHE HZ 5.000 . 5.500 5.027 3.842 5.579 0.079 26 0 "[ . 1 . 2 . ]" 1
340 1 8 PHE HZ 1 38 LYS HA 4.000 . 4.500 3.068 2.010 4.328 . 0 0 "[ . 1 . 2 . ]" 1
341 1 8 PHE HZ 1 43 GLN HB2 5.000 . 5.500 5.569 5.522 5.629 0.129 8 0 "[ . 1 . 2 . ]" 1
342 1 8 PHE QE 1 37 LEU MD1 5.000 . 5.500 2.310 1.775 3.247 0.025 7 0 "[ . 1 . 2 . ]" 1
343 1 8 PHE QE 1 13 GLN HA 5.000 . 5.500 4.784 3.884 5.555 0.055 14 0 "[ . 1 . 2 . ]" 1
344 1 6 ASN QB 1 8 PHE QE 5.000 . 5.500 3.436 2.027 5.151 . 0 0 "[ . 1 . 2 . ]" 1
345 1 8 PHE QE 1 41 PRO HB3 3.000 . 3.500 2.291 1.786 3.306 0.014 4 0 "[ . 1 . 2 . ]" 1
346 1 8 PHE QD 1 13 GLN QG 5.000 . 5.500 4.384 3.758 5.490 . 0 0 "[ . 1 . 2 . ]" 1
347 1 8 PHE QD 1 13 GLN HA 5.000 . 5.500 2.806 1.979 4.006 . 0 0 "[ . 1 . 2 . ]" 1
348 1 8 PHE QD 1 41 PRO HB3 5.000 . 5.500 3.537 2.611 4.676 . 0 0 "[ . 1 . 2 . ]" 1
349 1 8 PHE QD 1 12 GLN HB2 4.000 . 4.500 3.776 1.966 4.672 0.172 8 0 "[ . 1 . 2 . ]" 1
350 1 8 PHE QD 1 12 GLN HB3 5.000 . 5.500 3.012 1.941 4.188 . 0 0 "[ . 1 . 2 . ]" 1
351 1 8 PHE HB3 1 13 GLN QB 4.000 . 4.500 2.583 2.185 3.052 . 0 0 "[ . 1 . 2 . ]" 1
352 1 8 PHE HB3 1 12 GLN HB2 5.000 . 5.500 3.981 2.215 5.547 0.047 11 0 "[ . 1 . 2 . ]" 1
353 1 52 LYS HB2 1 53 LYS H 4.000 . 4.500 3.073 2.455 4.140 . 0 0 "[ . 1 . 2 . ]" 1
354 1 48 LEU QD 1 52 LYS H 5.000 . 5.500 3.915 3.225 4.904 . 0 0 "[ . 1 . 2 . ]" 1
355 1 51 ALA HA 1 52 LYS H 5.000 . 5.500 3.531 3.492 3.565 . 0 0 "[ . 1 . 2 . ]" 1
356 1 52 LYS H 1 53 LYS H 3.000 . 3.500 2.741 2.532 2.881 . 0 0 "[ . 1 . 2 . ]" 1
357 1 52 LYS H 1 53 LYS HG3 5.000 . 5.500 4.730 3.940 5.539 0.039 20 0 "[ . 1 . 2 . ]" 1
358 1 22 LEU MD1 1 52 LYS H 4.000 . 4.500 4.210 3.500 4.528 0.028 2 0 "[ . 1 . 2 . ]" 1
359 1 22 LEU MD1 1 52 LYS QD 5.000 . 5.500 4.991 2.661 5.539 0.039 3 0 "[ . 1 . 2 . ]" 1
360 1 52 LYS HA 1 55 ASN HB2 4.000 . 4.500 4.295 3.660 4.554 0.054 23 0 "[ . 1 . 2 . ]" 1
361 1 52 LYS HA 1 55 ASN HB3 4.000 . 4.500 3.185 2.859 3.625 . 0 0 "[ . 1 . 2 . ]" 1
362 1 22 LEU MD2 1 52 LYS HA 5.000 . 5.500 2.915 2.268 3.879 . 0 0 "[ . 1 . 2 . ]" 1
363 1 22 LEU MD1 1 52 LYS HA 5.000 . 5.500 3.581 2.211 4.394 . 0 0 "[ . 1 . 2 . ]" 1
364 1 40 ASP HA 1 41 PRO HD2 4.000 . 4.500 2.145 1.954 2.490 . 0 0 "[ . 1 . 2 . ]" 1
365 1 37 LEU MD1 1 41 PRO HB2 5.000 . 5.500 4.848 4.514 5.057 . 0 0 "[ . 1 . 2 . ]" 1
366 1 40 ASP HA 1 41 PRO HD3 4.000 . 4.500 2.370 2.068 2.597 . 0 0 "[ . 1 . 2 . ]" 1
367 1 37 LEU MD1 1 38 LYS H 4.000 . 4.500 4.102 3.824 4.430 . 0 0 "[ . 1 . 2 . ]" 1
368 1 37 LEU HB2 1 38 LYS H 5.000 . 5.500 3.968 3.801 4.182 . 0 0 "[ . 1 . 2 . ]" 1
369 1 37 LEU HA 1 38 LYS H 5.000 . 5.500 3.553 3.480 3.606 . 0 0 "[ . 1 . 2 . ]" 1
370 1 38 LYS QB 1 39 ASP H 5.000 . 5.500 2.693 2.098 3.704 . 0 0 "[ . 1 . 2 . ]" 1
371 1 4 ALA HA 1 5 ASP H 5.000 . 5.500 2.831 2.147 3.555 . 0 0 "[ . 1 . 2 . ]" 1
372 1 53 LYS H 1 54 LEU H 3.000 . 3.500 2.604 2.377 2.852 . 0 0 "[ . 1 . 2 . ]" 1
373 1 52 LYS HA 1 53 LYS H 5.000 . 5.500 3.557 3.481 3.599 . 0 0 "[ . 1 . 2 . ]" 1
374 1 50 GLU HA 1 53 LYS H 4.000 . 4.500 3.822 3.374 4.007 . 0 0 "[ . 1 . 2 . ]" 1
375 1 53 LYS HA 1 56 ASP QB 4.000 . 4.500 3.080 2.107 4.320 . 0 0 "[ . 1 . 2 . ]" 1
376 1 10 LYS HB2 1 11 GLU H 5.000 . 5.500 3.090 2.136 3.956 . 0 0 "[ . 1 . 2 . ]" 1
377 1 10 LYS H 1 11 GLU H 3.000 . 3.500 2.804 2.519 3.010 . 0 0 "[ . 1 . 2 . ]" 1
378 1 10 LYS HA 1 11 GLU H 5.000 . 5.500 3.544 3.480 3.592 . 0 0 "[ . 1 . 2 . ]" 1
379 1 10 LYS HB3 1 11 GLU H 5.000 . 5.500 3.562 2.408 4.129 . 0 0 "[ . 1 . 2 . ]" 1
380 1 11 GLU H 1 12 GLN H 3.000 . 3.500 2.689 2.437 3.095 . 0 0 "[ . 1 . 2 . ]" 1
381 1 10 LYS HB2 1 11 GLU QG 5.000 . 5.500 4.819 3.675 5.511 0.011 6 0 "[ . 1 . 2 . ]" 1
382 1 11 GLU HA 1 14 ASN QB 4.000 . 4.500 3.327 2.849 4.510 0.010 11 0 "[ . 1 . 2 . ]" 1
383 1 59 ALA HA 1 60 PRO HD2 3.000 . 3.500 2.493 1.982 3.533 0.033 9 0 "[ . 1 . 2 . ]" 1
384 1 59 ALA HA 1 60 PRO HD3 3.000 . 3.500 2.471 1.902 3.392 . 0 0 "[ . 1 . 2 . ]" 1
385 1 14 ASN HD21 1 18 GLU QG 5.000 . 5.500 4.254 1.981 5.505 0.005 25 0 "[ . 1 . 2 . ]" 1
386 1 13 GLN HA 1 14 ASN H 4.000 . 4.500 3.509 3.462 3.579 . 0 0 "[ . 1 . 2 . ]" 1
387 1 14 ASN H 1 15 ALA H 3.000 . 3.500 2.761 2.681 2.824 . 0 0 "[ . 1 . 2 . ]" 1
388 1 14 ASN H 1 15 ALA MB 5.000 . 5.500 4.381 4.286 4.454 . 0 0 "[ . 1 . 2 . ]" 1
389 1 14 ASN QB 1 15 ALA H 4.000 . 4.500 2.799 2.486 3.559 . 0 0 "[ . 1 . 2 . ]" 1
390 1 43 GLN HB2 1 47 LEU MD2 3.000 . 3.500 2.667 2.061 3.265 . 0 0 "[ . 1 . 2 . ]" 1
391 1 37 LEU HA 1 43 GLN H 5.000 . 5.500 4.647 4.361 4.932 . 0 0 "[ . 1 . 2 . ]" 1
392 1 42 SER HA 1 43 GLN H 5.000 . 5.500 3.372 3.141 3.488 . 0 0 "[ . 1 . 2 . ]" 1
393 1 43 GLN HB3 1 47 LEU MD2 4.000 . 4.500 1.798 1.754 2.096 0.046 11 0 "[ . 1 . 2 . ]" 1
394 1 43 GLN HB3 1 47 LEU HG 4.000 . 4.500 3.708 2.459 4.504 0.004 25 0 "[ . 1 . 2 . ]" 1
395 1 43 GLN HB3 1 47 LEU HB3 5.000 . 5.500 5.330 4.739 5.563 0.063 18 0 "[ . 1 . 2 . ]" 1
396 1 48 LEU QD 1 49 ALA H 5.000 . 5.500 3.435 2.404 4.026 . 0 0 "[ . 1 . 2 . ]" 1
397 1 48 LEU HA 1 49 ALA H 5.000 . 5.500 3.561 3.504 3.614 . 0 0 "[ . 1 . 2 . ]" 1
398 1 45 ALA HA 1 49 ALA H 5.000 . 5.500 3.581 3.221 3.978 . 0 0 "[ . 1 . 2 . ]" 1
399 1 46 ASN HA 1 49 ALA H 4.000 . 4.500 4.064 3.779 4.443 . 0 0 "[ . 1 . 2 . ]" 1
400 1 49 ALA H 1 50 GLU H 3.000 . 3.500 2.704 2.473 2.884 . 0 0 "[ . 1 . 2 . ]" 1
401 1 49 ALA H 1 50 GLU QB 5.000 . 5.500 4.586 4.227 5.013 . 0 0 "[ . 1 . 2 . ]" 1
402 1 46 ASN HA 1 49 ALA MB 5.000 . 5.500 3.214 2.852 3.712 . 0 0 "[ . 1 . 2 . ]" 1
403 1 49 ALA MB 1 50 GLU H 5.000 . 5.500 2.502 2.335 2.701 . 0 0 "[ . 1 . 2 . ]" 1
404 1 17 TRP HE3 1 18 GLU HA 5.000 . 5.500 5.405 4.499 5.564 0.064 11 0 "[ . 1 . 2 . ]" 1
405 1 16 PHE HB2 1 17 TRP H 3.000 . 3.500 3.631 3.581 3.734 0.234 22 0 "[ . 1 . 2 . ]" 1
406 1 16 PHE H 1 17 TRP H 3.000 . 3.500 2.956 2.849 3.042 . 0 0 "[ . 1 . 2 . ]" 1
407 1 16 PHE HA 1 17 TRP H 5.000 . 5.500 3.553 3.527 3.577 . 0 0 "[ . 1 . 2 . ]" 1
408 1 17 TRP HD1 1 20 LEU MD2 4.000 . 4.500 4.279 3.238 4.560 0.060 12 0 "[ . 1 . 2 . ]" 1
409 1 17 TRP HD1 1 20 LEU HB2 5.000 . 5.500 4.449 3.320 5.344 . 0 0 "[ . 1 . 2 . ]" 1
410 1 17 TRP QB 1 20 LEU HB2 4.000 . 4.500 4.582 4.513 4.656 0.156 4 0 "[ . 1 . 2 . ]" 1
411 1 14 ASN HA 1 17 TRP QB 4.000 . 4.500 3.317 2.856 4.263 . 0 0 "[ . 1 . 2 . ]" 1
412 1 16 PHE HB3 1 17 TRP QB 5.000 . 5.500 3.988 3.711 4.572 . 0 0 "[ . 1 . 2 . ]" 1
413 1 40 ASP H 1 41 PRO HD2 5.000 . 5.500 4.737 4.452 5.018 . 0 0 "[ . 1 . 2 . ]" 1
414 1 40 ASP H 1 41 PRO HD3 5.000 . 5.500 4.158 3.889 4.483 . 0 0 "[ . 1 . 2 . ]" 1
415 1 36 SER HA 1 40 ASP H 5.000 . 5.500 4.586 3.888 5.262 . 0 0 "[ . 1 . 2 . ]" 1
416 1 39 ASP HA 1 40 ASP H 5.000 . 5.500 3.446 3.332 3.554 . 0 0 "[ . 1 . 2 . ]" 1
417 1 39 ASP HB3 1 40 ASP H 5.000 . 5.500 3.685 2.406 4.395 . 0 0 "[ . 1 . 2 . ]" 1
418 1 37 LEU MD1 1 40 ASP HB3 4.000 . 4.500 4.495 4.340 4.563 0.063 12 0 "[ . 1 . 2 . ]" 1
419 1 40 ASP HB3 1 42 SER H 5.000 . 5.500 4.041 3.580 4.377 . 0 0 "[ . 1 . 2 . ]" 1
420 1 54 LEU H 1 55 ASN H 5.000 . 5.500 2.840 2.723 2.920 . 0 0 "[ . 1 . 2 . ]" 1
421 1 53 LYS HA 1 54 LEU H 5.000 . 5.500 3.538 3.493 3.567 . 0 0 "[ . 1 . 2 . ]" 1
422 1 53 LYS QB 1 54 LEU H 5.000 . 5.500 2.954 2.338 3.516 . 0 0 "[ . 1 . 2 . ]" 1
423 1 54 LEU H 1 56 ASP H 4.000 . 4.500 4.235 3.892 4.562 0.062 20 0 "[ . 1 . 2 . ]" 1
424 1 54 LEU QD 1 55 ASN H 4.000 . 4.500 3.668 3.429 4.006 . 0 0 "[ . 1 . 2 . ]" 1
425 1 54 LEU QD 1 58 GLN HG3 3.000 . 3.500 3.232 2.415 3.533 0.033 8 0 "[ . 1 . 2 . ]" 1
426 1 9 ASN HB2 1 10 LYS H 5.000 . 5.500 2.563 1.731 3.412 0.069 17 0 "[ . 1 . 2 . ]" 1
427 1 10 LYS QD 1 11 GLU H 4.000 . 4.500 3.763 2.404 4.552 0.052 15 0 "[ . 1 . 2 . ]" 1
428 1 61 LYS HA 1 62 ALA H 5.000 . 5.500 2.867 2.135 3.571 . 0 0 "[ . 1 . 2 . ]" 1
429 1 60 PRO HA 1 62 ALA MB 5.000 . 5.500 5.102 4.157 5.639 0.139 19 0 "[ . 1 . 2 . ]" 1
430 1 61 LYS HB3 1 62 ALA HA 5.000 . 5.500 4.610 3.853 5.722 0.222 15 0 "[ . 1 . 2 . ]" 1
431 1 5 ASP HA 1 6 ASN H 5.000 . 5.500 3.067 2.312 3.585 . 0 0 "[ . 1 . 2 . ]" 1
432 1 4 ALA HA 1 6 ASN H 4.000 . 4.500 4.287 3.258 4.686 0.186 20 0 "[ . 1 . 2 . ]" 1
433 1 36 SER HB2 1 47 LEU MD2 4.000 . 4.500 4.245 3.718 4.510 0.010 10 0 "[ . 1 . 2 . ]" 1
434 1 36 SER HB2 1 47 LEU MD1 5.000 . 5.500 3.045 2.122 3.996 . 0 0 "[ . 1 . 2 . ]" 1
435 1 33 PHE HA 1 36 SER HB2 5.000 . 5.500 3.952 2.917 4.512 . 0 0 "[ . 1 . 2 . ]" 1
436 1 35 GLN QG 1 36 SER H 5.000 . 5.500 3.418 1.887 4.432 . 0 0 "[ . 1 . 2 . ]" 1
437 1 35 GLN HA 1 36 SER H 5.000 . 5.500 3.569 3.554 3.595 . 0 0 "[ . 1 . 2 . ]" 1
438 1 35 GLN QB 1 36 SER H 4.000 . 4.500 2.622 2.340 3.277 . 0 0 "[ . 1 . 2 . ]" 1
439 1 36 SER HB3 1 47 LEU MD2 4.000 . 4.500 3.201 2.304 3.697 . 0 0 "[ . 1 . 2 . ]" 1
440 1 36 SER HB3 1 47 LEU MD1 3.000 . 3.500 1.978 1.799 3.066 0.001 9 0 "[ . 1 . 2 . ]" 1
441 1 25 LEU HA 1 58 GLN HE21 4.000 . 4.500 3.235 2.516 4.516 0.016 17 0 "[ . 1 . 2 . ]" 1
442 1 55 ASN HA 1 58 GLN H 5.000 . 5.500 3.603 3.182 3.937 . 0 0 "[ . 1 . 2 . ]" 1
443 1 58 GLN H 1 59 ALA H 3.000 . 3.500 2.470 2.171 3.586 0.086 17 0 "[ . 1 . 2 . ]" 1
444 1 56 ASP H 1 58 GLN H 4.000 . 4.500 4.081 3.534 4.453 . 0 0 "[ . 1 . 2 . ]" 1
445 1 57 ALA HA 1 58 GLN H 5.000 . 5.500 3.521 3.424 3.584 . 0 0 "[ . 1 . 2 . ]" 1
446 1 57 ALA MB 1 58 GLN HG3 5.000 . 5.500 4.243 2.782 5.595 0.095 22 0 "[ . 1 . 2 . ]" 1
447 1 24 ASN QB 1 58 GLN HE22 5.000 . 5.500 4.732 2.571 5.618 0.118 25 0 "[ . 1 . 2 . ]" 1
448 1 25 LEU MD1 1 58 GLN HE22 4.000 . 4.500 4.114 1.786 4.575 0.075 10 0 "[ . 1 . 2 . ]" 1
449 1 25 LEU HA 1 58 GLN HE22 5.000 . 5.500 2.439 1.783 3.884 0.017 6 0 "[ . 1 . 2 . ]" 1
450 1 36 SER HA 1 39 ASP HB2 5.000 . 5.500 4.209 3.073 5.550 0.050 26 0 "[ . 1 . 2 . ]" 1
451 1 39 ASP H 1 40 ASP H 3.000 . 3.500 2.659 2.196 2.889 . 0 0 "[ . 1 . 2 . ]" 1
452 1 37 LEU HB3 1 39 ASP H 5.000 . 5.500 5.389 5.100 5.599 0.099 26 0 "[ . 1 . 2 . ]" 1
453 1 36 SER HA 1 39 ASP H 5.000 . 5.500 4.101 3.619 4.363 . 0 0 "[ . 1 . 2 . ]" 1
454 1 38 LYS H 1 39 ASP H 3.000 . 3.500 2.975 2.620 3.107 . 0 0 "[ . 1 . 2 . ]" 1
455 1 38 LYS HA 1 39 ASP H 5.000 . 5.500 3.599 3.483 3.651 . 0 0 "[ . 1 . 2 . ]" 1
456 1 36 SER HA 1 39 ASP HB3 5.000 . 5.500 4.724 3.761 5.529 0.029 2 0 "[ . 1 . 2 . ]" 1
457 1 47 LEU MD2 1 50 GLU QG 4.000 . 4.500 4.335 3.558 4.755 0.255 3 0 "[ . 1 . 2 . ]" 1
458 1 37 LEU HA 1 47 LEU MD1 4.000 . 4.500 3.915 2.757 4.545 0.045 3 0 "[ . 1 . 2 . ]" 1
459 1 36 SER HA 1 47 LEU MD1 5.000 . 5.500 4.288 3.746 5.163 . 0 0 "[ . 1 . 2 . ]" 1
460 1 19 ILE MD 1 47 LEU MD1 5.000 . 5.500 4.351 3.145 5.213 . 0 0 "[ . 1 . 2 . ]" 1
461 1 33 PHE HA 1 47 LEU MD1 4.000 . 4.500 2.232 1.941 3.813 . 0 0 "[ . 1 . 2 . ]" 1
462 1 47 LEU MD1 1 50 GLU QB 5.000 . 5.500 3.849 3.209 5.480 . 0 0 "[ . 1 . 2 . ]" 1
463 1 44 SER HA 1 47 LEU H 5.000 . 5.500 3.735 3.534 3.971 . 0 0 "[ . 1 . 2 . ]" 1
464 1 47 LEU H 1 48 LEU H 3.000 . 3.500 2.554 2.476 2.657 . 0 0 "[ . 1 . 2 . ]" 1
465 1 43 GLN HB3 1 47 LEU H 5.000 . 5.500 3.591 3.331 3.804 . 0 0 "[ . 1 . 2 . ]" 1
466 1 46 ASN HA 1 47 LEU H 5.000 . 5.500 3.523 3.485 3.557 . 0 0 "[ . 1 . 2 . ]" 1
467 1 46 ASN QB 1 47 LEU H 5.000 . 5.500 2.690 2.461 2.804 . 0 0 "[ . 1 . 2 . ]" 1
468 1 44 SER HA 1 45 ALA H 5.000 . 5.500 3.541 3.483 3.600 . 0 0 "[ . 1 . 2 . ]" 1
469 1 45 ALA H 1 46 ASN H 5.000 . 5.500 2.604 2.448 2.953 . 0 0 "[ . 1 . 2 . ]" 1
470 1 45 ALA MB 1 46 ASN H 5.000 . 5.500 2.558 2.361 2.697 . 0 0 "[ . 1 . 2 . ]" 1
471 1 45 ALA MB 1 46 ASN HA 5.000 . 5.500 3.762 3.687 3.850 . 0 0 "[ . 1 . 2 . ]" 1
472 1 45 ALA MB 1 46 ASN QB 5.000 . 5.500 3.941 3.653 4.355 . 0 0 "[ . 1 . 2 . ]" 1
473 1 18 GLU HA 1 21 HIS HB2 4.000 . 4.500 3.017 1.832 4.118 . 0 0 "[ . 1 . 2 . ]" 1
474 1 20 LEU HB2 1 21 HIS H 5.000 . 5.500 3.086 2.739 3.762 . 0 0 "[ . 1 . 2 . ]" 1
475 1 20 LEU HA 1 21 HIS H 5.000 . 5.500 3.498 3.387 3.580 . 0 0 "[ . 1 . 2 . ]" 1
476 1 20 LEU HB3 1 21 HIS H 3.000 . 3.500 3.212 2.665 3.554 0.054 19 0 "[ . 1 . 2 . ]" 1
477 1 18 GLU HA 1 21 HIS H 5.000 . 5.500 3.443 2.859 3.705 . 0 0 "[ . 1 . 2 . ]" 1
478 1 21 HIS HB3 1 22 LEU HA 5.000 . 5.500 3.965 3.719 4.656 . 0 0 "[ . 1 . 2 . ]" 1
479 1 54 LEU HA 1 56 ASP H 5.000 . 5.500 4.392 3.984 4.839 . 0 0 "[ . 1 . 2 . ]" 1
480 1 55 ASN HB2 1 56 ASP H 5.000 . 5.500 4.008 3.686 4.213 . 0 0 "[ . 1 . 2 . ]" 1
481 1 55 ASN HA 1 56 ASP H 5.000 . 5.500 3.551 3.485 3.603 . 0 0 "[ . 1 . 2 . ]" 1
482 1 56 ASP H 1 57 ALA H 3.000 . 3.500 2.643 2.266 2.896 . 0 0 "[ . 1 . 2 . ]" 1
483 1 56 ASP QB 1 57 ALA H 4.000 . 4.500 2.880 2.318 3.661 . 0 0 "[ . 1 . 2 . ]" 1
484 1 7 LYS H 1 8 PHE H 3.000 . 3.500 3.000 1.915 3.722 0.222 7 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 62
_Distance_constraint_stats_list.Viol_count 798
_Distance_constraint_stats_list.Viol_total 1288.167
_Distance_constraint_stats_list.Viol_max 0.490
_Distance_constraint_stats_list.Viol_rms 0.0554
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0307
_Distance_constraint_stats_list.Viol_average_violations_only 0.0621
_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 12 GLN 13.892 0.232 26 0 "[ . 1 . 2 . ]"
1 13 GLN 1.642 0.176 21 0 "[ . 1 . 2 . ]"
1 14 ASN 0.701 0.064 18 0 "[ . 1 . 2 . ]"
1 15 ALA 2.201 0.173 17 0 "[ . 1 . 2 . ]"
1 16 PHE 3.070 0.176 21 0 "[ . 1 . 2 . ]"
1 18 GLU 3.126 0.298 17 0 "[ . 1 . 2 . ]"
1 19 ILE 0.655 0.083 11 0 "[ . 1 . 2 . ]"
1 20 LEU 1.428 0.108 8 0 "[ . 1 . 2 . ]"
1 22 LEU 11.898 0.372 8 0 "[ . 1 . 2 . ]"
1 24 ASN 7.635 0.372 8 0 "[ . 1 . 2 . ]"
1 25 LEU 1.837 0.295 19 0 "[ . 1 . 2 . ]"
1 26 ASN 2.054 0.174 25 0 "[ . 1 . 2 . ]"
1 27 GLU 0.171 0.038 19 0 "[ . 1 . 2 . ]"
1 28 GLU 2.294 0.114 17 0 "[ . 1 . 2 . ]"
1 29 GLN 0.305 0.050 12 0 "[ . 1 . 2 . ]"
1 30 ARG 0.341 0.157 22 0 "[ . 1 . 2 . ]"
1 31 ASN 0.427 0.056 3 0 "[ . 1 . 2 . ]"
1 32 GLY 3.365 0.114 17 0 "[ . 1 . 2 . ]"
1 33 PHE 0.558 0.050 12 0 "[ . 1 . 2 . ]"
1 35 GLN 2.478 0.111 17 0 "[ . 1 . 2 . ]"
1 36 SER 1.071 0.063 22 0 "[ . 1 . 2 . ]"
1 37 LEU 0.253 0.036 17 0 "[ . 1 . 2 . ]"
1 39 ASP 2.222 0.111 17 0 "[ . 1 . 2 . ]"
1 41 PRO 13.458 0.232 26 0 "[ . 1 . 2 . ]"
1 43 GLN 2.543 0.099 3 0 "[ . 1 . 2 . ]"
1 44 SER 1.346 0.097 14 0 "[ . 1 . 2 . ]"
1 45 ALA 0.288 0.057 3 0 "[ . 1 . 2 . ]"
1 46 ASN 2.277 0.099 3 0 "[ . 1 . 2 . ]"
1 47 LEU 0.525 0.061 3 0 "[ . 1 . 2 . ]"
1 48 LEU 0.462 0.059 17 0 "[ . 1 . 2 . ]"
1 49 ALA 0.463 0.057 3 0 "[ . 1 . 2 . ]"
1 50 GLU 0.248 0.027 2 0 "[ . 1 . 2 . ]"
1 51 ALA 0.486 0.066 12 0 "[ . 1 . 2 . ]"
1 52 LYS 0.228 0.059 17 0 "[ . 1 . 2 . ]"
1 53 LYS 0.872 0.072 2 0 "[ . 1 . 2 . ]"
1 54 LEU 1.671 0.123 12 0 "[ . 1 . 2 . ]"
1 55 ASN 3.497 0.490 26 0 "[ . 1 . 2 . ]"
1 57 ALA 0.697 0.072 2 0 "[ . 1 . 2 . ]"
1 58 GLN 3.135 0.174 25 0 "[ . 1 . 2 . ]"
1 59 ALA 3.270 0.490 26 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 12 GLN O 1 15 ALA H 1.950 . 2.100 2.149 2.007 2.273 0.173 17 0 "[ . 1 . 2 . ]" 2
2 1 12 GLN O 1 15 ALA N 2.900 2.700 3.100 2.956 2.843 3.105 0.005 7 0 "[ . 1 . 2 . ]" 2
3 1 13 GLN O 1 16 PHE H 1.950 . 2.100 2.155 1.945 2.276 0.176 21 0 "[ . 1 . 2 . ]" 2
4 1 13 GLN O 1 16 PHE N 2.900 2.700 3.100 2.832 2.704 2.909 . 0 0 "[ . 1 . 2 . ]" 2
5 1 14 ASN O 1 18 GLU H 1.950 . 2.100 2.096 1.918 2.164 0.064 18 0 "[ . 1 . 2 . ]" 2
6 1 14 ASN O 1 18 GLU N 2.900 2.700 3.100 3.047 2.836 3.137 0.037 8 0 "[ . 1 . 2 . ]" 2
7 1 15 ALA O 1 19 ILE H 1.950 . 2.100 1.981 1.787 2.110 0.013 9 0 "[ . 1 . 2 . ]" 2
8 1 15 ALA O 1 19 ILE N 2.900 2.700 3.100 2.701 2.617 2.967 0.083 11 0 "[ . 1 . 2 . ]" 2
9 1 16 PHE O 1 20 LEU H 1.950 . 2.100 1.791 1.692 2.032 0.108 8 0 "[ . 1 . 2 . ]" 2
10 1 16 PHE O 1 20 LEU N 2.900 2.700 3.100 2.710 2.650 2.958 0.050 16 0 "[ . 1 . 2 . ]" 2
11 1 18 GLU O 1 22 LEU H 1.950 . 2.100 2.121 1.769 2.398 0.298 17 0 "[ . 1 . 2 . ]" 2
12 1 18 GLU O 1 22 LEU N 2.900 2.700 3.100 3.006 2.602 3.159 0.098 4 0 "[ . 1 . 2 . ]" 2
13 1 22 LEU O 1 24 ASN H 1.950 . 2.100 2.352 2.214 2.472 0.372 8 0 "[ . 1 . 2 . ]" 2
14 1 22 LEU O 1 24 ASN N 2.900 2.700 3.100 2.674 2.512 2.875 0.188 9 0 "[ . 1 . 2 . ]" 2
15 1 22 LEU O 1 25 LEU H 1.950 . 2.100 2.100 1.792 2.395 0.295 19 0 "[ . 1 . 2 . ]" 2
16 1 22 LEU O 1 25 LEU N 2.900 2.700 3.100 2.909 2.755 3.141 0.041 17 0 "[ . 1 . 2 . ]" 2
17 1 26 ASN H 1 58 GLN OE1 1.950 . 2.100 2.162 2.061 2.274 0.174 25 0 "[ . 1 . 2 . ]" 2
18 1 26 ASN N 1 58 GLN OE1 2.900 2.700 3.100 3.053 2.951 3.119 0.019 15 0 "[ . 1 . 2 . ]" 2
19 1 26 ASN O 1 30 ARG H 1.950 . 2.100 1.982 1.770 2.257 0.157 22 0 "[ . 1 . 2 . ]" 2
20 1 26 ASN O 1 30 ARG N 2.900 2.700 3.100 2.852 2.655 3.146 0.046 22 0 "[ . 1 . 2 . ]" 2
21 1 27 GLU O 1 31 ASN H 1.950 . 2.100 1.905 1.762 2.098 0.038 19 0 "[ . 1 . 2 . ]" 2
22 1 27 GLU O 1 31 ASN N 2.900 2.700 3.100 2.834 2.716 3.055 . 0 0 "[ . 1 . 2 . ]" 2
23 1 28 GLU O 1 32 GLY H 1.950 . 2.100 2.163 1.947 2.214 0.114 17 0 "[ . 1 . 2 . ]" 2
24 1 28 GLU O 1 32 GLY N 2.900 2.700 3.100 3.100 2.845 3.179 0.079 13 0 "[ . 1 . 2 . ]" 2
25 1 29 GLN O 1 33 PHE H 1.950 . 2.100 2.075 1.895 2.150 0.050 12 0 "[ . 1 . 2 . ]" 2
26 1 29 GLN O 1 33 PHE N 2.900 2.700 3.100 2.909 2.738 3.012 . 0 0 "[ . 1 . 2 . ]" 2
27 1 31 ASN O 1 35 GLN H 1.950 . 2.100 2.050 1.782 2.156 0.056 3 0 "[ . 1 . 2 . ]" 2
28 1 31 ASN O 1 35 GLN N 2.900 2.700 3.100 2.999 2.752 3.099 . 0 0 "[ . 1 . 2 . ]" 2
29 1 32 GLY O 1 36 SER H 1.950 . 2.100 2.131 2.057 2.163 0.063 22 0 "[ . 1 . 2 . ]" 2
30 1 32 GLY O 1 36 SER N 2.900 2.700 3.100 3.095 2.995 3.133 0.033 17 0 "[ . 1 . 2 . ]" 2
31 1 33 PHE O 1 37 LEU H 1.950 . 2.100 2.040 1.801 2.136 0.036 17 0 "[ . 1 . 2 . ]" 2
32 1 33 PHE O 1 37 LEU N 2.900 2.700 3.100 2.908 2.692 3.035 0.008 4 0 "[ . 1 . 2 . ]" 2
33 1 35 GLN O 1 39 ASP H 1.950 . 2.100 2.171 2.138 2.211 0.111 17 0 "[ . 1 . 2 . ]" 2
34 1 35 GLN O 1 39 ASP N 2.900 2.700 3.100 3.064 2.795 3.153 0.053 3 0 "[ . 1 . 2 . ]" 2
35 1 41 PRO O 1 44 SER H 1.950 . 2.100 2.138 1.997 2.197 0.097 14 0 "[ . 1 . 2 . ]" 2
36 1 43 GLN O 1 46 ASN H 1.950 . 2.100 2.141 2.104 2.199 0.099 3 0 "[ . 1 . 2 . ]" 2
37 1 43 GLN O 1 46 ASN N 2.900 2.700 3.100 2.654 2.616 2.699 0.084 7 0 "[ . 1 . 2 . ]" 2
38 1 43 GLN O 1 47 LEU H 1.950 . 2.100 1.841 1.739 1.979 0.061 3 0 "[ . 1 . 2 . ]" 2
39 1 43 GLN O 1 47 LEU N 2.900 2.700 3.100 2.794 2.687 2.918 0.013 12 0 "[ . 1 . 2 . ]" 2
40 1 44 SER O 1 48 LEU H 1.950 . 2.100 1.948 1.769 2.137 0.037 17 0 "[ . 1 . 2 . ]" 2
41 1 44 SER O 1 48 LEU N 2.900 2.700 3.100 2.849 2.684 3.038 0.016 8 0 "[ . 1 . 2 . ]" 2
42 1 45 ALA O 1 49 ALA H 1.950 . 2.100 2.051 1.879 2.157 0.057 3 0 "[ . 1 . 2 . ]" 2
43 1 45 ALA O 1 49 ALA N 2.900 2.700 3.100 2.953 2.767 3.079 . 0 0 "[ . 1 . 2 . ]" 2
44 1 47 LEU O 1 51 ALA H 1.950 . 2.100 1.915 1.753 2.154 0.054 6 0 "[ . 1 . 2 . ]" 2
45 1 47 LEU O 1 51 ALA N 2.900 2.700 3.100 2.829 2.678 2.991 0.022 3 0 "[ . 1 . 2 . ]" 2
46 1 48 LEU O 1 52 LYS H 1.950 . 2.100 1.968 1.777 2.159 0.059 17 0 "[ . 1 . 2 . ]" 2
47 1 48 LEU O 1 52 LYS N 2.900 2.700 3.100 2.855 2.718 3.008 . 0 0 "[ . 1 . 2 . ]" 2
48 1 49 ALA O 1 53 LYS H 1.950 . 2.100 2.014 1.783 2.128 0.028 3 0 "[ . 1 . 2 . ]" 2
49 1 49 ALA O 1 53 LYS N 2.900 2.700 3.100 2.947 2.662 3.097 0.038 18 0 "[ . 1 . 2 . ]" 2
50 1 50 GLU O 1 54 LEU H 1.950 . 2.100 2.075 1.834 2.127 0.027 2 0 "[ . 1 . 2 . ]" 2
51 1 50 GLU O 1 54 LEU N 2.900 2.700 3.100 2.966 2.783 3.066 . 0 0 "[ . 1 . 2 . ]" 2
52 1 51 ALA O 1 55 ASN H 1.950 . 2.100 2.043 1.803 2.166 0.066 12 0 "[ . 1 . 2 . ]" 2
53 1 51 ALA O 1 55 ASN N 2.900 2.700 3.100 3.000 2.760 3.118 0.018 12 0 "[ . 1 . 2 . ]" 2
54 1 53 LYS O 1 57 ALA H 1.950 . 2.100 2.101 1.870 2.172 0.072 2 0 "[ . 1 . 2 . ]" 2
55 1 53 LYS O 1 57 ALA N 2.900 2.700 3.100 2.969 2.684 3.123 0.023 20 0 "[ . 1 . 2 . ]" 2
56 1 54 LEU O 1 58 GLN H 1.950 . 2.100 1.870 1.677 2.146 0.123 12 0 "[ . 1 . 2 . ]" 2
57 1 54 LEU O 1 58 GLN N 2.900 2.700 3.100 2.768 2.620 3.018 0.080 20 0 "[ . 1 . 2 . ]" 2
58 1 55 ASN O 1 59 ALA H 1.950 . 2.100 2.189 2.081 2.590 0.490 26 0 "[ . 1 . 2 . ]" 2
59 1 55 ASN O 1 59 ALA N 2.900 2.700 3.100 2.668 2.566 2.766 0.134 26 0 "[ . 1 . 2 . ]" 2
60 1 12 GLN HE21 1 41 PRO O 1.950 . 2.100 2.277 2.216 2.332 0.232 26 0 "[ . 1 . 2 . ]" 2
61 1 12 GLN NE2 1 41 PRO O 2.900 2.700 3.100 2.562 2.546 2.584 0.154 20 0 "[ . 1 . 2 . ]" 2
62 1 12 GLN HE22 1 41 PRO O 1.950 . 2.100 2.259 2.214 2.297 0.197 12 0 "[ . 1 . 2 . ]" 2
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