NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
382924 |
1jrj   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jrj
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 289
_Distance_constraint_stats_list.Viol_count 922
_Distance_constraint_stats_list.Viol_total 874.322
_Distance_constraint_stats_list.Viol_max 0.782
_Distance_constraint_stats_list.Viol_rms 0.0150
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0263
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 4 GLY 0.046 0.028 4 0 "[ . 1 . 2 . 3 . ]"
1 5 THR 0.501 0.241 34 0 "[ . 1 . 2 . 3 . ]"
1 6 PHE 2.451 0.241 34 0 "[ . 1 . 2 . 3 . ]"
1 7 THR 2.937 0.102 16 0 "[ . 1 . 2 . 3 . ]"
1 8 SER 2.889 0.072 6 0 "[ . 1 . 2 . 3 . ]"
1 9 ASP 2.854 0.060 10 0 "[ . 1 . 2 . 3 . ]"
1 10 LEU 3.281 0.211 36 0 "[ . 1 . 2 . 3 . ]"
1 11 SER 1.197 0.047 21 0 "[ . 1 . 2 . 3 . ]"
1 12 LYS 1.641 0.047 21 0 "[ . 1 . 2 . 3 . ]"
1 13 GLN 1.007 0.212 34 0 "[ . 1 . 2 . 3 . ]"
1 14 MET 0.403 0.124 7 0 "[ . 1 . 2 . 3 . ]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 16 GLU 0.792 0.212 34 0 "[ . 1 . 2 . 3 . ]"
1 17 GLU 1.101 0.047 5 0 "[ . 1 . 2 . 3 . ]"
1 18 ALA 1.395 0.047 5 0 "[ . 1 . 2 . 3 . ]"
1 19 VAL 0.257 0.032 16 0 "[ . 1 . 2 . 3 . ]"
1 20 ARG 0.099 0.012 34 0 "[ . 1 . 2 . 3 . ]"
1 21 LEU 0.916 0.031 29 0 "[ . 1 . 2 . 3 . ]"
1 22 PHE 3.362 0.782 17 2 "[ . 1 . + 2 . -3 . ]"
1 23 ILE 2.496 0.782 17 2 "[ . 1 . + 2 . -3 . ]"
1 24 GLU 0.621 0.031 29 0 "[ . 1 . 2 . 3 . ]"
1 25 TRP 2.125 0.126 29 0 "[ . 1 . 2 . 3 . ]"
1 26 LEU 0.264 0.040 36 0 "[ . 1 . 2 . 3 . ]"
1 27 LYS 0.580 0.195 28 0 "[ . 1 . 2 . 3 . ]"
1 28 ASN 1.876 0.065 29 0 "[ . 1 . 2 . 3 . ]"
1 29 GLY 0.079 0.015 9 0 "[ . 1 . 2 . 3 . ]"
1 30 GLY 0.537 0.042 10 0 "[ . 1 . 2 . 3 . ]"
1 31 PRO 0.640 0.042 10 0 "[ . 1 . 2 . 3 . ]"
1 32 SER 1.003 0.056 7 0 "[ . 1 . 2 . 3 . ]"
1 33 SER 0.919 0.041 26 0 "[ . 1 . 2 . 3 . ]"
1 34 GLY 1.852 0.054 4 0 "[ . 1 . 2 . 3 . ]"
1 35 ALA 2.384 0.140 27 0 "[ . 1 . 2 . 3 . ]"
1 36 PRO 1.248 0.140 27 0 "[ . 1 . 2 . 3 . ]"
1 37 PRO 1.278 0.054 30 0 "[ . 1 . 2 . 3 . ]"
1 38 PRO 1.611 0.054 30 0 "[ . 1 . 2 . 3 . ]"
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 3 GLU H 1 4 GLY H 4.000 . 5.000 4.144 2.972 4.605 . 0 0 "[ . 1 . 2 . 3 . ]" 1
2 1 3 GLU HA 1 4 GLY H 2.500 . 2.900 2.292 2.136 2.628 . 0 0 "[ . 1 . 2 . 3 . ]" 1
3 1 4 GLY H 1 5 THR H 3.000 . 3.500 2.921 2.240 3.528 0.028 4 0 "[ . 1 . 2 . 3 . ]" 1
4 1 4 GLY QA 1 5 THR H 3.000 . 3.500 2.475 2.118 2.940 . 0 0 "[ . 1 . 2 . 3 . ]" 1
5 1 5 THR H 1 6 PHE H 3.000 . 3.500 3.083 2.272 3.594 0.094 34 0 "[ . 1 . 2 . 3 . ]" 1
6 1 5 THR HA 1 5 THR HB 3.000 . 3.500 2.742 2.402 3.027 . 0 0 "[ . 1 . 2 . 3 . ]" 1
7 1 5 THR HA 1 6 PHE H 2.600 . 3.000 2.573 2.151 3.241 0.241 34 0 "[ . 1 . 2 . 3 . ]" 1
8 1 5 THR HA 1 7 THR H 4.000 . 5.000 3.769 3.045 4.789 . 0 0 "[ . 1 . 2 . 3 . ]" 1
9 1 6 PHE H 1 6 PHE QB 3.000 . 3.500 2.550 2.074 3.255 . 0 0 "[ . 1 . 2 . 3 . ]" 1
10 1 6 PHE H 1 6 PHE QD 3.500 . 4.000 3.026 2.219 3.588 . 0 0 "[ . 1 . 2 . 3 . ]" 1
11 1 6 PHE H 1 7 THR H 2.600 . 3.000 2.446 2.055 3.102 0.102 16 0 "[ . 1 . 2 . 3 . ]" 1
12 1 6 PHE HA 1 6 PHE QD 4.000 . 5.000 3.142 2.464 3.738 . 0 0 "[ . 1 . 2 . 3 . ]" 1
13 1 6 PHE HA 1 7 THR H 3.000 . 3.500 3.382 2.230 3.553 0.053 13 0 "[ . 1 . 2 . 3 . ]" 1
14 1 6 PHE HA 1 9 ASP QB 4.000 . 5.000 3.207 2.105 4.314 . 0 0 "[ . 1 . 2 . 3 . ]" 1
15 1 6 PHE QB 1 6 PHE QD 3.500 . 4.000 2.128 2.123 2.144 . 0 0 "[ . 1 . 2 . 3 . ]" 1
16 1 6 PHE QB 1 7 THR H 3.500 . 4.000 3.213 2.051 3.766 . 0 0 "[ . 1 . 2 . 3 . ]" 1
17 1 6 PHE QD 1 10 LEU QD 3.800 . 4.600 2.169 1.789 3.019 0.211 36 0 "[ . 1 . 2 . 3 . ]" 1
18 1 6 PHE QE 1 10 LEU QD 3.800 . 4.600 2.776 2.096 3.047 . 0 0 "[ . 1 . 2 . 3 . ]" 1
19 1 7 THR H 1 7 THR HB 3.000 . 3.500 3.048 2.457 3.584 0.084 12 0 "[ . 1 . 2 . 3 . ]" 1
20 1 7 THR H 1 8 SER H 3.000 . 3.500 2.716 2.049 3.572 0.072 6 0 "[ . 1 . 2 . 3 . ]" 1
21 1 7 THR HA 1 8 SER H 3.000 . 3.500 3.533 3.478 3.557 0.057 36 0 "[ . 1 . 2 . 3 . ]" 1
22 1 7 THR HA 1 9 ASP H 4.000 . 5.000 4.632 4.230 5.025 0.025 20 0 "[ . 1 . 2 . 3 . ]" 1
23 1 7 THR HA 1 10 LEU QB 3.500 . 4.000 2.861 1.989 3.575 0.011 9 0 "[ . 1 . 2 . 3 . ]" 1
24 1 7 THR HB 1 8 SER H 3.500 . 4.000 3.003 2.310 3.995 . 0 0 "[ . 1 . 2 . 3 . ]" 1
25 1 8 SER H 1 9 ASP H 2.600 . 3.000 2.582 2.240 2.842 . 0 0 "[ . 1 . 2 . 3 . ]" 1
26 1 8 SER HA 1 9 ASP H 3.000 . 3.500 3.537 3.513 3.560 0.060 10 0 "[ . 1 . 2 . 3 . ]" 1
27 1 8 SER HA 1 11 SER H 3.500 . 4.000 3.751 3.418 4.013 0.013 3 0 "[ . 1 . 2 . 3 . ]" 1
28 1 8 SER HA 1 12 LYS H 4.000 . 5.000 4.603 4.179 5.005 0.005 3 0 "[ . 1 . 2 . 3 . ]" 1
29 1 8 SER QB 1 9 ASP H 3.500 . 4.000 2.790 2.275 3.424 . 0 0 "[ . 1 . 2 . 3 . ]" 1
30 1 9 ASP H 1 9 ASP QB 2.500 . 2.900 2.229 2.066 2.585 . 0 0 "[ . 1 . 2 . 3 . ]" 1
31 1 9 ASP H 1 10 LEU H 2.600 . 3.000 2.576 2.367 2.727 . 0 0 "[ . 1 . 2 . 3 . ]" 1
32 1 9 ASP HA 1 10 LEU H 3.000 . 3.500 3.529 3.506 3.553 0.053 4 0 "[ . 1 . 2 . 3 . ]" 1
33 1 9 ASP HA 1 12 LYS H 3.000 . 3.500 3.503 3.366 3.538 0.038 7 0 "[ . 1 . 2 . 3 . ]" 1
34 1 9 ASP HA 1 12 LYS QB 3.500 . 4.000 2.879 2.502 3.237 . 0 0 "[ . 1 . 2 . 3 . ]" 1
35 1 9 ASP HA 1 13 GLN H 4.000 . 5.000 4.177 3.900 4.827 . 0 0 "[ . 1 . 2 . 3 . ]" 1
36 1 9 ASP QB 1 10 LEU H 3.000 . 3.500 2.661 2.422 2.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1
37 1 10 LEU HA 1 13 GLN H 3.000 . 3.500 3.469 3.238 3.537 0.037 26 0 "[ . 1 . 2 . 3 . ]" 1
38 1 10 LEU HA 1 13 GLN QG 4.000 . 5.000 3.711 1.825 4.458 0.175 33 0 "[ . 1 . 2 . 3 . ]" 1
39 1 10 LEU QD 1 14 MET QG 3.500 . 4.000 2.333 1.876 2.649 0.124 7 0 "[ . 1 . 2 . 3 . ]" 1
40 1 11 SER H 1 12 LYS H 2.500 . 2.900 2.687 2.515 2.764 . 0 0 "[ . 1 . 2 . 3 . ]" 1
41 1 11 SER H 1 13 GLN H 4.000 . 5.000 4.187 3.973 4.459 . 0 0 "[ . 1 . 2 . 3 . ]" 1
42 1 11 SER HA 1 12 LYS H 3.000 . 3.500 3.532 3.472 3.547 0.047 21 0 "[ . 1 . 2 . 3 . ]" 1
43 1 11 SER HA 1 14 MET H 3.500 . 4.000 3.715 3.432 4.009 0.009 2 0 "[ . 1 . 2 . 3 . ]" 1
44 1 12 LYS H 1 12 LYS QB 2.600 . 3.000 2.139 2.049 2.334 . 0 0 "[ . 1 . 2 . 3 . ]" 1
45 1 12 LYS H 1 13 GLN H 2.500 . 2.900 2.611 2.435 2.782 . 0 0 "[ . 1 . 2 . 3 . ]" 1
46 1 12 LYS H 1 14 MET H 4.000 . 5.000 4.154 3.895 4.412 . 0 0 "[ . 1 . 2 . 3 . ]" 1
47 1 12 LYS HA 1 13 GLN H 4.000 . 5.000 3.549 3.519 3.577 . 0 0 "[ . 1 . 2 . 3 . ]" 1
48 1 12 LYS HA 1 15 GLU H 3.500 . 4.000 3.609 3.319 3.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1
49 1 12 LYS HA 1 15 GLU QB 3.500 . 4.000 2.858 2.422 3.465 . 0 0 "[ . 1 . 2 . 3 . ]" 1
50 1 12 LYS HA 1 15 GLU QG 4.000 . 5.000 3.863 2.673 4.467 . 0 0 "[ . 1 . 2 . 3 . ]" 1
51 1 12 LYS QB 1 13 GLN H 3.000 . 3.500 2.631 2.410 2.849 . 0 0 "[ . 1 . 2 . 3 . ]" 1
52 1 13 GLN H 1 13 GLN QB 2.600 . 3.000 2.236 2.059 2.581 . 0 0 "[ . 1 . 2 . 3 . ]" 1
53 1 13 GLN H 1 14 MET H 2.500 . 2.900 2.689 2.559 2.814 . 0 0 "[ . 1 . 2 . 3 . ]" 1
54 1 13 GLN HA 1 14 MET H 3.500 . 4.000 3.549 3.508 3.569 . 0 0 "[ . 1 . 2 . 3 . ]" 1
55 1 13 GLN HA 1 16 GLU H 3.000 . 3.500 3.467 3.267 3.537 0.037 34 0 "[ . 1 . 2 . 3 . ]" 1
56 1 13 GLN HA 1 16 GLU QB 3.500 . 4.000 2.733 2.157 3.579 . 0 0 "[ . 1 . 2 . 3 . ]" 1
57 1 13 GLN HA 1 16 GLU QG 4.000 . 5.000 3.537 1.788 4.459 0.212 34 0 "[ . 1 . 2 . 3 . ]" 1
58 1 13 GLN HA 1 17 GLU H 4.000 . 5.000 4.272 3.668 4.768 . 0 0 "[ . 1 . 2 . 3 . ]" 1
59 1 14 MET H 1 15 GLU H 2.600 . 3.000 2.699 2.425 2.829 . 0 0 "[ . 1 . 2 . 3 . ]" 1
60 1 14 MET HA 1 17 GLU H 3.500 . 4.000 3.664 3.412 3.894 . 0 0 "[ . 1 . 2 . 3 . ]" 1
61 1 15 GLU HA 1 16 GLU H 3.500 . 4.000 3.544 3.519 3.572 . 0 0 "[ . 1 . 2 . 3 . ]" 1
62 1 15 GLU HA 1 18 ALA H 3.500 . 4.000 3.518 3.353 3.781 . 0 0 "[ . 1 . 2 . 3 . ]" 1
63 1 15 GLU HA 1 18 ALA MB 3.000 . 3.800 2.864 2.468 3.162 . 0 0 "[ . 1 . 2 . 3 . ]" 1
64 1 15 GLU HA 1 19 VAL H 4.000 . 5.000 4.475 4.101 4.783 . 0 0 "[ . 1 . 2 . 3 . ]" 1
65 1 15 GLU QB 1 16 GLU H 3.000 . 3.500 2.648 2.455 2.831 . 0 0 "[ . 1 . 2 . 3 . ]" 1
66 1 16 GLU HA 1 19 VAL H 3.000 . 3.500 3.463 3.298 3.532 0.032 16 0 "[ . 1 . 2 . 3 . ]" 1
67 1 16 GLU HA 1 19 VAL HB 3.500 . 4.000 3.075 2.663 3.381 . 0 0 "[ . 1 . 2 . 3 . ]" 1
68 1 16 GLU HA 1 19 VAL MG2 3.000 . 3.800 2.478 2.080 3.164 . 0 0 "[ . 1 . 2 . 3 . ]" 1
69 1 17 GLU HA 1 18 ALA H 3.000 . 3.500 3.531 3.508 3.547 0.047 5 0 "[ . 1 . 2 . 3 . ]" 1
70 1 17 GLU HA 1 20 ARG H 3.500 . 4.000 3.539 3.420 3.795 . 0 0 "[ . 1 . 2 . 3 . ]" 1
71 1 17 GLU HA 1 20 ARG QB 3.000 . 3.500 2.845 2.633 3.077 . 0 0 "[ . 1 . 2 . 3 . ]" 1
72 1 17 GLU HA 1 21 LEU H 4.000 . 5.000 4.381 4.045 4.827 . 0 0 "[ . 1 . 2 . 3 . ]" 1
73 1 18 ALA H 1 19 VAL H 2.600 . 3.000 2.665 2.583 2.713 . 0 0 "[ . 1 . 2 . 3 . ]" 1
74 1 18 ALA HA 1 19 VAL H 4.000 . 5.000 3.543 3.531 3.566 . 0 0 "[ . 1 . 2 . 3 . ]" 1
75 1 18 ALA HA 1 21 LEU H 3.000 . 3.500 3.508 3.492 3.525 0.025 9 0 "[ . 1 . 2 . 3 . ]" 1
76 1 18 ALA HA 1 21 LEU QB 3.500 . 4.000 2.740 2.501 3.009 . 0 0 "[ . 1 . 2 . 3 . ]" 1
77 1 18 ALA HA 1 22 PHE H 4.000 . 5.000 4.166 3.870 4.440 . 0 0 "[ . 1 . 2 . 3 . ]" 1
78 1 18 ALA MB 1 19 VAL H 3.000 . 3.800 2.614 2.516 2.753 . 0 0 "[ . 1 . 2 . 3 . ]" 1
79 1 18 ALA MB 1 19 VAL MG2 3.800 . 4.600 3.145 3.002 3.202 . 0 0 "[ . 1 . 2 . 3 . ]" 1
80 1 19 VAL H 1 19 VAL MG1 4.500 3.000 6.000 3.777 3.764 3.783 . 0 0 "[ . 1 . 2 . 3 . ]" 1
81 1 19 VAL H 1 19 VAL MG2 2.500 . 3.150 2.159 2.015 2.283 . 0 0 "[ . 1 . 2 . 3 . ]" 1
82 1 19 VAL H 1 20 ARG H 2.600 . 3.000 2.688 2.646 2.780 . 0 0 "[ . 1 . 2 . 3 . ]" 1
83 1 19 VAL HA 1 20 ARG H 4.000 . 5.000 3.554 3.539 3.571 . 0 0 "[ . 1 . 2 . 3 . ]" 1
84 1 19 VAL HA 1 21 LEU H 4.000 . 5.000 4.449 4.396 4.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1
85 1 19 VAL HA 1 22 PHE H 3.000 . 3.500 3.479 3.400 3.529 0.029 36 0 "[ . 1 . 2 . 3 . ]" 1
86 1 19 VAL HA 1 22 PHE HB2 3.500 . 4.000 3.733 3.636 3.814 . 0 0 "[ . 1 . 2 . 3 . ]" 1
87 1 19 VAL HA 1 22 PHE HB3 3.000 . 3.500 2.596 2.523 2.655 . 0 0 "[ . 1 . 2 . 3 . ]" 1
88 1 19 VAL HA 1 22 PHE QD 3.500 . 4.000 3.581 3.572 3.590 . 0 0 "[ . 1 . 2 . 3 . ]" 1
89 1 19 VAL HA 1 23 ILE H 4.000 . 5.000 3.990 3.896 4.272 . 0 0 "[ . 1 . 2 . 3 . ]" 1
90 1 19 VAL MG1 1 22 PHE QD 3.800 . 4.600 3.275 2.947 3.416 . 0 0 "[ . 1 . 2 . 3 . ]" 1
91 1 20 ARG H 1 20 ARG QB 2.600 . 3.000 2.187 2.046 2.507 . 0 0 "[ . 1 . 2 . 3 . ]" 1
92 1 20 ARG H 1 21 LEU H 2.600 . 3.000 2.734 2.679 2.817 . 0 0 "[ . 1 . 2 . 3 . ]" 1
93 1 20 ARG HA 1 21 LEU H 4.000 . 5.000 3.555 3.543 3.567 . 0 0 "[ . 1 . 2 . 3 . ]" 1
94 1 20 ARG HA 1 23 ILE H 3.000 . 3.500 3.475 3.208 3.512 0.012 34 0 "[ . 1 . 2 . 3 . ]" 1
95 1 20 ARG HA 1 23 ILE HB 3.000 . 3.500 2.565 2.520 2.667 . 0 0 "[ . 1 . 2 . 3 . ]" 1
96 1 20 ARG HA 1 23 ILE MD 3.800 . 4.600 2.366 2.054 3.844 . 0 0 "[ . 1 . 2 . 3 . ]" 1
97 1 20 ARG HA 1 23 ILE MG 3.800 . 4.600 3.845 3.832 3.860 . 0 0 "[ . 1 . 2 . 3 . ]" 1
98 1 20 ARG QB 1 21 LEU H 3.500 . 4.000 2.597 2.476 2.734 . 0 0 "[ . 1 . 2 . 3 . ]" 1
99 1 21 LEU H 1 22 PHE H 3.000 . 3.500 2.659 2.626 2.699 . 0 0 "[ . 1 . 2 . 3 . ]" 1
100 1 21 LEU H 1 23 ILE H 4.000 . 5.000 4.056 3.954 4.110 . 0 0 "[ . 1 . 2 . 3 . ]" 1
101 1 21 LEU HA 1 22 PHE H 4.000 . 5.000 3.547 3.528 3.553 . 0 0 "[ . 1 . 2 . 3 . ]" 1
102 1 21 LEU HA 1 24 GLU H 3.000 . 3.500 3.511 3.478 3.531 0.031 29 0 "[ . 1 . 2 . 3 . ]" 1
103 1 21 LEU HA 1 24 GLU HB2 3.000 . 3.500 3.482 3.226 3.526 0.026 14 0 "[ . 1 . 2 . 3 . ]" 1
104 1 21 LEU HA 1 24 GLU HB3 3.000 . 3.500 3.034 2.819 3.493 . 0 0 "[ . 1 . 2 . 3 . ]" 1
105 1 21 LEU QB 1 22 PHE H 3.500 . 4.000 2.595 2.458 2.672 . 0 0 "[ . 1 . 2 . 3 . ]" 1
106 1 22 PHE H 1 22 PHE HB2 2.500 . 2.900 2.673 2.636 2.759 . 0 0 "[ . 1 . 2 . 3 . ]" 1
107 1 22 PHE H 1 22 PHE HB3 2.500 . 2.900 2.373 2.279 2.399 . 0 0 "[ . 1 . 2 . 3 . ]" 1
108 1 22 PHE H 1 23 ILE H 3.000 . 3.500 2.653 2.569 2.682 . 0 0 "[ . 1 . 2 . 3 . ]" 1
109 1 22 PHE HA 1 22 PHE HB2 2.500 . 2.900 2.395 2.363 2.408 . 0 0 "[ . 1 . 2 . 3 . ]" 1
110 1 22 PHE HA 1 23 ILE H 4.000 . 5.000 3.543 3.530 3.554 . 0 0 "[ . 1 . 2 . 3 . ]" 1
111 1 22 PHE HA 1 25 TRP H 3.000 . 3.500 3.431 3.336 3.509 0.009 3 0 "[ . 1 . 2 . 3 . ]" 1
112 1 22 PHE HA 1 25 TRP HB2 3.500 . 4.000 3.404 3.185 3.786 . 0 0 "[ . 1 . 2 . 3 . ]" 1
113 1 22 PHE HA 1 25 TRP HB3 3.500 . 4.000 2.545 2.395 2.778 . 0 0 "[ . 1 . 2 . 3 . ]" 1
114 1 22 PHE HA 1 25 TRP HE3 3.000 . 3.500 3.516 3.498 3.537 0.037 5 0 "[ . 1 . 2 . 3 . ]" 1
115 1 22 PHE HA 1 38 PRO HB2 3.500 . 4.000 4.024 4.008 4.039 0.039 31 0 "[ . 1 . 2 . 3 . ]" 1
116 1 22 PHE HA 1 38 PRO HB3 4.000 . 5.000 4.526 4.344 4.707 . 0 0 "[ . 1 . 2 . 3 . ]" 1
117 1 22 PHE HA 1 38 PRO HG3 3.000 . 3.500 2.506 2.162 2.927 . 0 0 "[ . 1 . 2 . 3 . ]" 1
118 1 22 PHE HB2 1 23 ILE H 4.000 . 5.000 3.977 3.938 4.089 . 0 0 "[ . 1 . 2 . 3 . ]" 1
119 1 22 PHE HB2 1 38 PRO QG 3.500 . 4.000 2.728 2.539 3.000 . 0 0 "[ . 1 . 2 . 3 . ]" 1
120 1 22 PHE HB3 1 23 ILE H 3.000 . 3.500 2.656 2.604 2.817 . 0 0 "[ . 1 . 2 . 3 . ]" 1
121 1 22 PHE QD 1 23 ILE H 3.500 . 4.000 3.575 3.564 3.586 . 0 0 "[ . 1 . 2 . 3 . ]" 1
122 1 22 PHE QD 1 23 ILE MD 4.500 3.000 6.000 4.204 2.218 4.380 0.782 17 2 "[ . 1 . + 2 . -3 . ]" 1
123 1 22 PHE QD 1 23 ILE QG 4.000 . 5.000 3.046 2.948 3.811 . 0 0 "[ . 1 . 2 . 3 . ]" 1
124 1 22 PHE QD 1 25 TRP HE3 3.500 . 4.000 2.715 2.491 2.832 . 0 0 "[ . 1 . 2 . 3 . ]" 1
125 1 22 PHE QD 1 26 LEU MD1 3.800 . 4.600 3.344 3.168 3.421 . 0 0 "[ . 1 . 2 . 3 . ]" 1
126 1 22 PHE QD 1 37 PRO HB2 4.000 . 5.000 3.650 3.181 3.966 . 0 0 "[ . 1 . 2 . 3 . ]" 1
127 1 22 PHE QD 1 38 PRO HD2 3.500 . 4.000 2.574 2.194 2.749 . 0 0 "[ . 1 . 2 . 3 . ]" 1
128 1 22 PHE QD 1 38 PRO HD3 4.000 . 5.000 4.254 3.690 4.462 . 0 0 "[ . 1 . 2 . 3 . ]" 1
129 1 22 PHE QD 1 38 PRO QG 4.000 . 5.000 3.135 2.913 3.368 . 0 0 "[ . 1 . 2 . 3 . ]" 1
130 1 22 PHE QE 1 25 TRP HZ3 3.000 . 3.500 2.125 1.874 2.400 0.126 29 0 "[ . 1 . 2 . 3 . ]" 1
131 1 22 PHE QE 1 26 LEU MD1 3.000 . 3.800 2.555 2.470 2.640 . 0 0 "[ . 1 . 2 . 3 . ]" 1
132 1 22 PHE QE 1 26 LEU MD2 3.800 . 4.600 2.875 2.665 3.017 . 0 0 "[ . 1 . 2 . 3 . ]" 1
133 1 22 PHE QE 1 37 PRO HB2 4.000 . 5.000 4.133 3.690 4.456 . 0 0 "[ . 1 . 2 . 3 . ]" 1
134 1 22 PHE QE 1 37 PRO HB3 4.000 . 5.000 3.732 3.225 4.095 . 0 0 "[ . 1 . 2 . 3 . ]" 1
135 1 22 PHE HZ 1 26 LEU MD2 3.000 . 3.800 3.131 2.898 3.177 . 0 0 "[ . 1 . 2 . 3 . ]" 1
136 1 23 ILE H 1 23 ILE HB 2.600 . 3.000 2.406 2.367 2.586 . 0 0 "[ . 1 . 2 . 3 . ]" 1
137 1 23 ILE H 1 24 GLU H 3.000 . 3.500 2.718 2.692 2.744 . 0 0 "[ . 1 . 2 . 3 . ]" 1
138 1 23 ILE H 1 25 TRP H 4.000 . 5.000 4.039 3.939 4.145 . 0 0 "[ . 1 . 2 . 3 . ]" 1
139 1 23 ILE HA 1 24 GLU H 4.000 . 5.000 3.561 3.552 3.570 . 0 0 "[ . 1 . 2 . 3 . ]" 1
140 1 23 ILE HA 1 26 LEU H 3.000 . 3.500 3.491 3.389 3.540 0.040 36 0 "[ . 1 . 2 . 3 . ]" 1
141 1 23 ILE HA 1 26 LEU QB 3.500 . 4.000 2.860 2.695 3.003 . 0 0 "[ . 1 . 2 . 3 . ]" 1
142 1 23 ILE HA 1 26 LEU MD1 3.000 . 4.000 2.975 2.700 3.272 . 0 0 "[ . 1 . 2 . 3 . ]" 1
143 1 23 ILE HA 1 26 LEU HG 4.000 . 5.000 3.731 3.530 3.906 . 0 0 "[ . 1 . 2 . 3 . ]" 1
144 1 23 ILE HA 1 27 LYS H 4.000 . 5.000 4.307 4.035 4.496 . 0 0 "[ . 1 . 2 . 3 . ]" 1
145 1 23 ILE HB 1 24 GLU H 3.000 . 3.500 2.571 2.439 2.636 . 0 0 "[ . 1 . 2 . 3 . ]" 1
146 1 23 ILE MG 1 27 LYS QE 3.800 . 4.600 2.684 1.805 3.340 0.195 28 0 "[ . 1 . 2 . 3 . ]" 1
147 1 24 GLU H 1 24 GLU HB2 2.500 . 2.900 2.389 2.209 2.477 . 0 0 "[ . 1 . 2 . 3 . ]" 1
148 1 24 GLU H 1 24 GLU HB3 3.000 . 3.500 2.674 2.568 2.913 . 0 0 "[ . 1 . 2 . 3 . ]" 1
149 1 24 GLU H 1 25 TRP H 3.000 . 3.500 2.637 2.589 2.720 . 0 0 "[ . 1 . 2 . 3 . ]" 1
150 1 24 GLU H 1 26 LEU H 4.000 . 5.000 4.161 4.067 4.237 . 0 0 "[ . 1 . 2 . 3 . ]" 1
151 1 24 GLU HA 1 25 TRP H 4.000 . 5.000 3.528 3.503 3.543 . 0 0 "[ . 1 . 2 . 3 . ]" 1
152 1 24 GLU HA 1 27 LYS H 3.000 . 3.500 3.361 3.276 3.499 . 0 0 "[ . 1 . 2 . 3 . ]" 1
153 1 24 GLU HA 1 27 LYS QB 3.500 . 4.000 2.514 2.317 3.579 . 0 0 "[ . 1 . 2 . 3 . ]" 1
154 1 24 GLU HA 1 28 ASN H 4.000 . 5.000 4.348 4.086 4.561 . 0 0 "[ . 1 . 2 . 3 . ]" 1
155 1 24 GLU HB2 1 25 TRP H 3.500 . 4.000 3.789 3.575 3.882 . 0 0 "[ . 1 . 2 . 3 . ]" 1
156 1 24 GLU HB3 1 25 TRP H 3.500 . 4.000 2.652 2.594 2.835 . 0 0 "[ . 1 . 2 . 3 . ]" 1
157 1 24 GLU QG 1 28 ASN HD21 3.500 . 4.000 3.532 3.145 3.585 . 0 0 "[ . 1 . 2 . 3 . ]" 1
158 1 25 TRP H 1 25 TRP HB2 2.500 . 2.900 2.625 2.569 2.710 . 0 0 "[ . 1 . 2 . 3 . ]" 1
159 1 25 TRP H 1 25 TRP HB3 2.500 . 2.900 2.413 2.351 2.462 . 0 0 "[ . 1 . 2 . 3 . ]" 1
160 1 25 TRP H 1 25 TRP HE3 4.000 . 5.000 4.559 4.435 4.684 . 0 0 "[ . 1 . 2 . 3 . ]" 1
161 1 25 TRP H 1 26 LEU H 2.500 . 2.900 2.671 2.546 2.712 . 0 0 "[ . 1 . 2 . 3 . ]" 1
162 1 25 TRP H 1 27 LYS H 4.000 . 5.000 4.055 3.958 4.260 . 0 0 "[ . 1 . 2 . 3 . ]" 1
163 1 25 TRP HA 1 25 TRP HB2 2.500 . 2.900 2.412 2.382 2.435 . 0 0 "[ . 1 . 2 . 3 . ]" 1
164 1 25 TRP HA 1 25 TRP HD1 2.600 . 3.000 2.909 2.781 2.990 . 0 0 "[ . 1 . 2 . 3 . ]" 1
165 1 25 TRP HA 1 26 LEU H 4.000 . 5.000 3.542 3.508 3.558 . 0 0 "[ . 1 . 2 . 3 . ]" 1
166 1 25 TRP HA 1 28 ASN H 3.500 . 4.000 3.595 3.525 3.722 . 0 0 "[ . 1 . 2 . 3 . ]" 1
167 1 25 TRP HA 1 28 ASN HB2 4.000 . 5.000 4.341 3.009 5.044 0.044 24 0 "[ . 1 . 2 . 3 . ]" 1
168 1 25 TRP HA 1 28 ASN HB3 3.500 . 4.000 3.846 3.403 4.033 0.033 7 0 "[ . 1 . 2 . 3 . ]" 1
169 1 25 TRP HB2 1 25 TRP HD1 3.500 . 4.000 2.817 2.779 2.874 . 0 0 "[ . 1 . 2 . 3 . ]" 1
170 1 25 TRP HB2 1 25 TRP HE3 3.500 . 4.000 3.966 3.912 4.001 0.001 32 0 "[ . 1 . 2 . 3 . ]" 1
171 1 25 TRP HB3 1 26 LEU H 3.000 . 3.500 2.698 2.566 2.889 . 0 0 "[ . 1 . 2 . 3 . ]" 1
172 1 25 TRP HB3 1 38 PRO HD3 4.000 . 5.000 2.965 2.476 3.245 . 0 0 "[ . 1 . 2 . 3 . ]" 1
173 1 25 TRP HD1 1 30 GLY HA2 4.000 . 5.000 4.735 4.518 5.008 0.008 18 0 "[ . 1 . 2 . 3 . ]" 1
174 1 25 TRP HD1 1 35 ALA MB 3.800 . 4.600 3.464 3.130 3.730 . 0 0 "[ . 1 . 2 . 3 . ]" 1
175 1 25 TRP HD1 1 37 PRO HA 3.500 . 4.000 3.993 3.873 4.016 0.016 36 0 "[ . 1 . 2 . 3 . ]" 1
176 1 25 TRP HE1 1 31 PRO HA 4.000 . 5.000 4.160 3.795 4.488 . 0 0 "[ . 1 . 2 . 3 . ]" 1
177 1 25 TRP HE1 1 35 ALA H 3.500 . 4.000 3.904 3.568 4.007 0.007 16 0 "[ . 1 . 2 . 3 . ]" 1
178 1 25 TRP HE1 1 35 ALA MB 3.800 . 4.600 3.403 2.686 3.842 . 0 0 "[ . 1 . 2 . 3 . ]" 1
179 1 25 TRP HE1 1 36 PRO HA 3.500 . 4.000 3.753 3.464 4.021 0.021 34 0 "[ . 1 . 2 . 3 . ]" 1
180 1 25 TRP HE1 1 37 PRO HA 3.000 . 3.500 3.503 3.463 3.527 0.027 34 0 "[ . 1 . 2 . 3 . ]" 1
181 1 25 TRP HE1 1 37 PRO HD3 4.000 . 5.000 4.303 3.931 4.615 . 0 0 "[ . 1 . 2 . 3 . ]" 1
182 1 25 TRP HE3 1 26 LEU H 3.000 . 3.500 3.340 3.155 3.470 . 0 0 "[ . 1 . 2 . 3 . ]" 1
183 1 25 TRP HE3 1 26 LEU HA 3.500 . 4.000 3.727 3.507 3.908 . 0 0 "[ . 1 . 2 . 3 . ]" 1
184 1 25 TRP HE3 1 26 LEU MD2 2.500 . 3.150 2.615 2.548 2.635 . 0 0 "[ . 1 . 2 . 3 . ]" 1
185 1 25 TRP HE3 1 26 LEU HG 2.500 . 2.900 2.344 2.184 2.507 . 0 0 "[ . 1 . 2 . 3 . ]" 1
186 1 25 TRP HE3 1 30 GLY HA2 3.500 . 4.000 3.562 3.450 3.697 . 0 0 "[ . 1 . 2 . 3 . ]" 1
187 1 25 TRP HE3 1 37 PRO HB3 4.000 . 5.000 3.821 3.570 4.056 . 0 0 "[ . 1 . 2 . 3 . ]" 1
188 1 25 TRP HH2 1 26 LEU MD2 4.500 3.000 6.000 3.707 3.518 3.873 . 0 0 "[ . 1 . 2 . 3 . ]" 1
189 1 25 TRP HH2 1 31 PRO HA 3.000 . 3.500 3.409 3.147 3.518 0.018 34 0 "[ . 1 . 2 . 3 . ]" 1
190 1 25 TRP HH2 1 31 PRO HB3 3.500 . 4.000 3.784 3.484 4.008 0.008 20 0 "[ . 1 . 2 . 3 . ]" 1
191 1 25 TRP HH2 1 31 PRO HD2 4.000 . 5.000 4.383 4.194 4.587 . 0 0 "[ . 1 . 2 . 3 . ]" 1
192 1 25 TRP HH2 1 31 PRO HD3 3.000 . 3.500 2.946 2.744 3.102 . 0 0 "[ . 1 . 2 . 3 . ]" 1
193 1 25 TRP HH2 1 31 PRO HG3 3.000 . 3.500 2.190 1.996 2.488 0.004 34 0 "[ . 1 . 2 . 3 . ]" 1
194 1 25 TRP HH2 1 37 PRO HB3 4.000 . 5.000 2.842 2.716 2.981 . 0 0 "[ . 1 . 2 . 3 . ]" 1
195 1 25 TRP HH2 1 37 PRO HG3 4.000 . 5.000 3.717 3.604 3.881 . 0 0 "[ . 1 . 2 . 3 . ]" 1
196 1 25 TRP HZ2 1 30 GLY HA2 4.000 . 5.000 3.988 3.832 4.260 . 0 0 "[ . 1 . 2 . 3 . ]" 1
197 1 25 TRP HZ2 1 30 GLY HA3 4.000 . 5.000 4.677 4.586 4.809 . 0 0 "[ . 1 . 2 . 3 . ]" 1
198 1 25 TRP HZ2 1 31 PRO HA 2.500 . 2.900 2.169 2.009 2.386 . 0 0 "[ . 1 . 2 . 3 . ]" 1
199 1 25 TRP HZ2 1 31 PRO HB3 3.500 . 4.000 3.851 3.683 4.012 0.012 10 0 "[ . 1 . 2 . 3 . ]" 1
200 1 25 TRP HZ2 1 36 PRO HA 3.500 . 4.000 3.611 3.188 3.987 . 0 0 "[ . 1 . 2 . 3 . ]" 1
201 1 25 TRP HZ2 1 37 PRO HA 4.000 . 5.000 3.684 3.614 3.802 . 0 0 "[ . 1 . 2 . 3 . ]" 1
202 1 25 TRP HZ2 1 37 PRO HB3 3.500 . 4.000 3.433 3.159 3.692 . 0 0 "[ . 1 . 2 . 3 . ]" 1
203 1 25 TRP HZ2 1 37 PRO HD2 4.000 . 5.000 4.371 4.134 4.608 . 0 0 "[ . 1 . 2 . 3 . ]" 1
204 1 25 TRP HZ2 1 37 PRO HD3 3.000 . 3.500 2.707 2.496 2.968 . 0 0 "[ . 1 . 2 . 3 . ]" 1
205 1 25 TRP HZ2 1 37 PRO HG3 4.000 . 5.000 4.233 3.936 4.512 . 0 0 "[ . 1 . 2 . 3 . ]" 1
206 1 25 TRP HZ3 1 26 LEU MD2 2.500 . 3.150 2.158 2.034 2.341 . 0 0 "[ . 1 . 2 . 3 . ]" 1
207 1 25 TRP HZ3 1 26 LEU HG 4.000 . 5.000 3.582 3.364 3.845 . 0 0 "[ . 1 . 2 . 3 . ]" 1
208 1 25 TRP HZ3 1 30 GLY HA3 4.000 . 5.000 4.388 4.172 4.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1
209 1 25 TRP HZ3 1 31 PRO HD3 4.000 . 5.000 3.508 3.294 3.790 . 0 0 "[ . 1 . 2 . 3 . ]" 1
210 1 26 LEU H 1 27 LYS H 2.500 . 2.900 2.540 2.476 2.627 . 0 0 "[ . 1 . 2 . 3 . ]" 1
211 1 26 LEU H 1 28 ASN H 4.000 . 5.000 4.107 3.893 4.234 . 0 0 "[ . 1 . 2 . 3 . ]" 1
212 1 26 LEU HA 1 26 LEU HB3 2.500 . 2.900 2.545 2.521 2.572 . 0 0 "[ . 1 . 2 . 3 . ]" 1
213 1 26 LEU HA 1 27 LYS H 4.000 . 5.000 3.521 3.499 3.563 . 0 0 "[ . 1 . 2 . 3 . ]" 1
214 1 26 LEU HA 1 29 GLY H 4.500 3.000 6.000 3.511 3.280 3.826 . 0 0 "[ . 1 . 2 . 3 . ]" 1
215 1 26 LEU HA 1 30 GLY H 2.500 . 2.900 2.744 2.385 2.905 0.005 7 0 "[ . 1 . 2 . 3 . ]" 1
216 1 26 LEU HA 1 30 GLY HA2 3.000 . 3.500 2.358 2.114 2.503 . 0 0 "[ . 1 . 2 . 3 . ]" 1
217 1 26 LEU HA 1 30 GLY HA3 3.500 . 4.000 2.757 2.510 3.004 . 0 0 "[ . 1 . 2 . 3 . ]" 1
218 1 26 LEU HA 1 31 PRO HD3 4.000 . 5.000 4.245 3.940 4.551 . 0 0 "[ . 1 . 2 . 3 . ]" 1
219 1 26 LEU MD2 1 30 GLY H 3.800 . 4.600 3.843 3.658 3.861 . 0 0 "[ . 1 . 2 . 3 . ]" 1
220 1 26 LEU MD2 1 30 GLY HA2 3.800 . 4.600 2.390 2.209 2.515 . 0 0 "[ . 1 . 2 . 3 . ]" 1
221 1 26 LEU MD2 1 30 GLY HA3 3.000 . 3.800 2.435 2.189 2.721 . 0 0 "[ . 1 . 2 . 3 . ]" 1
222 1 26 LEU MD2 1 31 PRO HD3 3.800 . 4.600 2.754 2.309 3.196 . 0 0 "[ . 1 . 2 . 3 . ]" 1
223 1 27 LYS H 1 27 LYS QB 2.600 . 3.000 2.208 2.045 2.496 . 0 0 "[ . 1 . 2 . 3 . ]" 1
224 1 27 LYS H 1 28 ASN H 2.500 . 2.900 2.656 2.614 2.691 . 0 0 "[ . 1 . 2 . 3 . ]" 1
225 1 27 LYS H 1 29 GLY H 4.000 . 5.000 4.006 3.914 4.137 . 0 0 "[ . 1 . 2 . 3 . ]" 1
226 1 27 LYS HA 1 28 ASN H 4.000 . 5.000 3.531 3.480 3.552 . 0 0 "[ . 1 . 2 . 3 . ]" 1
227 1 27 LYS HA 1 29 GLY H 4.000 . 5.000 3.798 3.594 4.138 . 0 0 "[ . 1 . 2 . 3 . ]" 1
228 1 27 LYS QB 1 28 ASN H 4.000 . 5.000 2.820 2.616 3.629 . 0 0 "[ . 1 . 2 . 3 . ]" 1
229 1 28 ASN H 1 28 ASN HB2 3.500 . 4.000 3.113 2.141 3.655 . 0 0 "[ . 1 . 2 . 3 . ]" 1
230 1 28 ASN H 1 28 ASN HB3 2.500 . 2.900 2.709 2.543 2.965 0.065 29 0 "[ . 1 . 2 . 3 . ]" 1
231 1 28 ASN H 1 29 GLY H 2.500 . 2.900 2.584 2.517 2.684 . 0 0 "[ . 1 . 2 . 3 . ]" 1
232 1 28 ASN H 1 30 GLY H 4.000 . 5.000 3.601 3.347 3.864 . 0 0 "[ . 1 . 2 . 3 . ]" 1
233 1 28 ASN HA 1 29 GLY H 3.500 . 4.000 3.374 3.214 3.502 . 0 0 "[ . 1 . 2 . 3 . ]" 1
234 1 28 ASN HB2 1 33 SER HB2 4.000 . 5.000 4.589 4.058 5.021 0.021 6 0 "[ . 1 . 2 . 3 . ]" 1
235 1 28 ASN HB2 1 33 SER HB3 4.000 . 5.000 4.903 3.828 5.036 0.036 28 0 "[ . 1 . 2 . 3 . ]" 1
236 1 29 GLY H 1 30 GLY H 2.500 . 2.900 2.086 1.985 2.262 0.015 9 0 "[ . 1 . 2 . 3 . ]" 1
237 1 29 GLY HA2 1 30 GLY H 3.500 . 4.000 3.410 3.248 3.491 . 0 0 "[ . 1 . 2 . 3 . ]" 1
238 1 29 GLY HA3 1 30 GLY H 3.500 . 4.000 3.185 3.031 3.379 . 0 0 "[ . 1 . 2 . 3 . ]" 1
239 1 29 GLY HA3 1 33 SER HB2 4.000 . 5.000 2.679 2.007 4.980 . 0 0 "[ . 1 . 2 . 3 . ]" 1
240 1 30 GLY H 1 30 GLY HA2 2.500 . 2.900 2.293 2.285 2.326 . 0 0 "[ . 1 . 2 . 3 . ]" 1
241 1 30 GLY H 1 30 GLY HA3 3.000 . 3.500 2.831 2.790 2.899 . 0 0 "[ . 1 . 2 . 3 . ]" 1
242 1 30 GLY H 1 31 PRO HD2 4.000 . 5.000 4.992 4.899 5.042 0.042 10 0 "[ . 1 . 2 . 3 . ]" 1
243 1 30 GLY H 1 31 PRO HD3 4.000 . 5.000 4.742 4.707 4.796 . 0 0 "[ . 1 . 2 . 3 . ]" 1
244 1 30 GLY H 1 33 SER HB2 4.000 . 5.000 2.936 2.199 4.468 . 0 0 "[ . 1 . 2 . 3 . ]" 1
245 1 30 GLY HA2 1 31 PRO HD2 4.000 . 5.000 3.976 3.896 4.028 . 0 0 "[ . 1 . 2 . 3 . ]" 1
246 1 30 GLY HA2 1 31 PRO HD3 4.000 . 5.000 3.018 2.932 3.108 . 0 0 "[ . 1 . 2 . 3 . ]" 1
247 1 30 GLY HA2 1 32 SER H 4.000 . 5.000 4.690 4.557 4.831 . 0 0 "[ . 1 . 2 . 3 . ]" 1
248 1 30 GLY HA3 1 31 PRO HD2 2.500 . 2.900 2.482 2.431 2.533 . 0 0 "[ . 1 . 2 . 3 . ]" 1
249 1 30 GLY HA3 1 31 PRO HD3 2.500 . 2.900 2.010 1.973 2.063 0.027 12 0 "[ . 1 . 2 . 3 . ]" 1
250 1 30 GLY HA3 1 32 SER H 3.500 . 4.000 3.693 3.623 3.789 . 0 0 "[ . 1 . 2 . 3 . ]" 1
251 1 31 PRO HA 1 32 SER H 3.500 . 4.000 3.536 3.514 3.559 . 0 0 "[ . 1 . 2 . 3 . ]" 1
252 1 31 PRO HA 1 33 SER H 3.500 . 4.000 3.816 3.673 4.029 0.029 5 0 "[ . 1 . 2 . 3 . ]" 1
253 1 31 PRO HA 1 34 GLY H 4.000 . 5.000 4.696 3.841 5.024 0.024 24 0 "[ . 1 . 2 . 3 . ]" 1
254 1 31 PRO QB 1 32 SER H 4.000 . 5.000 2.834 2.714 2.956 . 0 0 "[ . 1 . 2 . 3 . ]" 1
255 1 31 PRO HB2 1 31 PRO HD2 3.500 . 4.000 2.955 2.925 2.994 . 0 0 "[ . 1 . 2 . 3 . ]" 1
256 1 31 PRO HB3 1 31 PRO HD2 4.000 . 5.000 3.886 3.871 3.903 . 0 0 "[ . 1 . 2 . 3 . ]" 1
257 1 31 PRO HB3 1 31 PRO HD3 4.000 . 5.000 4.050 4.036 4.061 . 0 0 "[ . 1 . 2 . 3 . ]" 1
258 1 31 PRO HD2 1 32 SER H 3.500 . 4.000 2.604 2.429 2.684 . 0 0 "[ . 1 . 2 . 3 . ]" 1
259 1 31 PRO HD3 1 32 SER H 4.000 . 5.000 3.888 3.804 3.943 . 0 0 "[ . 1 . 2 . 3 . ]" 1
260 1 32 SER H 1 32 SER HB2 3.000 . 3.500 2.775 2.087 3.556 0.056 7 0 "[ . 1 . 2 . 3 . ]" 1
261 1 32 SER H 1 32 SER HB3 3.000 . 3.500 3.024 2.670 3.528 0.028 33 0 "[ . 1 . 2 . 3 . ]" 1
262 1 32 SER H 1 33 SER H 3.000 . 3.500 2.990 2.599 3.384 . 0 0 "[ . 1 . 2 . 3 . ]" 1
263 1 32 SER HA 1 33 SER H 3.500 . 4.000 2.904 2.619 3.495 . 0 0 "[ . 1 . 2 . 3 . ]" 1
264 1 32 SER HA 1 34 GLY H 3.500 . 4.000 3.964 3.517 4.039 0.039 26 0 "[ . 1 . 2 . 3 . ]" 1
265 1 33 SER H 1 33 SER HB2 2.600 . 3.000 2.817 2.248 3.012 0.012 32 0 "[ . 1 . 2 . 3 . ]" 1
266 1 33 SER H 1 33 SER HB3 4.000 . 5.000 2.771 2.334 3.886 . 0 0 "[ . 1 . 2 . 3 . ]" 1
267 1 33 SER H 1 34 GLY H 2.600 . 3.000 2.140 1.959 2.778 0.041 26 0 "[ . 1 . 2 . 3 . ]" 1
268 1 33 SER HA 1 34 GLY H 3.500 . 4.000 3.507 3.184 3.542 . 0 0 "[ . 1 . 2 . 3 . ]" 1
269 1 33 SER HB2 1 34 GLY H 4.000 . 5.000 3.872 2.681 4.236 . 0 0 "[ . 1 . 2 . 3 . ]" 1
270 1 33 SER HB3 1 34 GLY H 4.000 . 5.000 2.966 2.702 4.467 . 0 0 "[ . 1 . 2 . 3 . ]" 1
271 1 33 SER HB3 1 35 ALA H 4.000 . 5.000 3.316 2.861 4.713 . 0 0 "[ . 1 . 2 . 3 . ]" 1
272 1 34 GLY H 1 34 GLY HA2 2.500 . 2.900 2.539 2.290 2.652 . 0 0 "[ . 1 . 2 . 3 . ]" 1
273 1 34 GLY H 1 34 GLY HA3 3.000 . 3.500 2.936 2.811 2.957 . 0 0 "[ . 1 . 2 . 3 . ]" 1
274 1 34 GLY H 1 35 ALA H 2.600 . 3.000 2.642 2.032 2.927 . 0 0 "[ . 1 . 2 . 3 . ]" 1
275 1 34 GLY HA2 1 35 ALA H 3.000 . 3.500 3.420 2.858 3.554 0.054 4 0 "[ . 1 . 2 . 3 . ]" 1
276 1 34 GLY HA3 1 35 ALA H 3.500 . 4.000 2.892 2.559 3.535 . 0 0 "[ . 1 . 2 . 3 . ]" 1
277 1 35 ALA HA 1 36 PRO QD 2.500 . 2.900 2.152 2.014 2.260 . 0 0 "[ . 1 . 2 . 3 . ]" 1
278 1 35 ALA MB 1 36 PRO QD 3.000 . 3.800 2.070 1.860 2.559 0.140 27 0 "[ . 1 . 2 . 3 . ]" 1
279 1 36 PRO HA 1 37 PRO HD2 3.000 . 3.500 2.485 2.399 2.556 . 0 0 "[ . 1 . 2 . 3 . ]" 1
280 1 36 PRO HA 1 37 PRO HD3 2.600 . 3.000 2.418 2.285 2.515 . 0 0 "[ . 1 . 2 . 3 . ]" 1
281 1 36 PRO HB3 1 36 PRO HD3 3.000 . 3.500 2.984 2.939 3.022 . 0 0 "[ . 1 . 2 . 3 . ]" 1
282 1 36 PRO HB3 1 37 PRO HD2 2.500 . 2.900 2.848 2.738 2.938 0.038 34 0 "[ . 1 . 2 . 3 . ]" 1
283 1 36 PRO HB3 1 37 PRO HD3 4.000 . 5.000 3.941 3.872 4.032 . 0 0 "[ . 1 . 2 . 3 . ]" 1
284 1 37 PRO HA 1 38 PRO HD2 3.000 . 3.500 2.239 2.107 2.707 . 0 0 "[ . 1 . 2 . 3 . ]" 1
285 1 37 PRO HA 1 38 PRO QD 2.600 . 3.000 1.983 1.946 2.028 0.054 30 0 "[ . 1 . 2 . 3 . ]" 1
286 1 37 PRO HA 1 38 PRO HD3 2.500 . 2.900 2.251 1.998 2.410 0.002 3 0 "[ . 1 . 2 . 3 . ]" 1
287 1 37 PRO HB2 1 38 PRO HD2 3.000 . 3.500 3.151 2.682 3.526 0.026 4 0 "[ . 1 . 2 . 3 . ]" 1
288 1 37 PRO HB3 1 37 PRO HD3 3.000 . 3.500 2.961 2.930 2.993 . 0 0 "[ . 1 . 2 . 3 . ]" 1
289 1 38 PRO HB3 1 38 PRO HD3 3.000 . 3.500 3.029 2.959 3.245 . 0 0 "[ . 1 . 2 . 3 . ]" 1
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