NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483346 |
1wjd   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wjd
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 1065
_Distance_constraint_stats_list.Viol_count 4853
_Distance_constraint_stats_list.Viol_total 13538.563
_Distance_constraint_stats_list.Viol_max 0.382
_Distance_constraint_stats_list.Viol_rms 0.0302
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.0734
_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 1 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 2 LEU 1.895 0.082 17 0 "[ . 1 . 2 . 3 . ]"
1 3 ASP 5.258 0.150 38 0 "[ . 1 . 2 . 3 . ]"
1 4 GLY 4.522 0.150 38 0 "[ . 1 . 2 . 3 . ]"
1 5 ILE 2.800 0.160 28 0 "[ . 1 . 2 . 3 . ]"
1 6 ASP 4.710 0.094 6 0 "[ . 1 . 2 . 3 . ]"
1 7 LYS 11.415 0.153 17 0 "[ . 1 . 2 . 3 . ]"
1 8 ALA 8.039 0.160 28 0 "[ . 1 . 2 . 3 . ]"
1 9 GLN 7.789 0.153 9 0 "[ . 1 . 2 . 3 . ]"
1 10 GLU 12.017 0.187 7 0 "[ . 1 . 2 . 3 . ]"
1 11 GLU 17.583 0.241 5 0 "[ . 1 . 2 . 3 . ]"
1 12 HIS 6.918 0.137 27 0 "[ . 1 . 2 . 3 . ]"
1 13 GLU 7.058 0.187 7 0 "[ . 1 . 2 . 3 . ]"
1 14 LYS 4.848 0.182 9 0 "[ . 1 . 2 . 3 . ]"
1 15 TYR 13.714 0.241 5 0 "[ . 1 . 2 . 3 . ]"
1 16 HIS 10.198 0.182 28 0 "[ . 1 . 2 . 3 . ]"
1 17 SER 10.573 0.182 26 0 "[ . 1 . 2 . 3 . ]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 19 TRP 3.154 0.189 17 0 "[ . 1 . 2 . 3 . ]"
1 20 ARG 10.205 0.232 25 0 "[ . 1 . 2 . 3 . ]"
1 21 ALA 9.654 0.182 26 0 "[ . 1 . 2 . 3 . ]"
1 22 MET 13.296 0.248 7 0 "[ . 1 . 2 . 3 . ]"
1 23 ALA 16.956 0.248 7 0 "[ . 1 . 2 . 3 . ]"
1 24 SER 7.599 0.142 4 0 "[ . 1 . 2 . 3 . ]"
1 25 ASP 7.823 0.179 24 0 "[ . 1 . 2 . 3 . ]"
1 26 PHE 4.693 0.133 24 0 "[ . 1 . 2 . 3 . ]"
1 27 ASN 1.451 0.114 29 0 "[ . 1 . 2 . 3 . ]"
1 28 LEU 7.017 0.229 30 0 "[ . 1 . 2 . 3 . ]"
1 29 PRO 1.886 0.162 27 0 "[ . 1 . 2 . 3 . ]"
1 30 PRO 10.450 0.222 12 0 "[ . 1 . 2 . 3 . ]"
1 31 VAL 18.470 0.344 29 0 "[ . 1 . 2 . 3 . ]"
1 32 VAL 18.986 0.211 31 0 "[ . 1 . 2 . 3 . ]"
1 33 ALA 10.721 0.229 30 0 "[ . 1 . 2 . 3 . ]"
1 34 LYS 11.037 0.344 29 0 "[ . 1 . 2 . 3 . ]"
1 35 GLU 4.793 0.187 33 0 "[ . 1 . 2 . 3 . ]"
1 36 ILE 6.206 0.153 9 0 "[ . 1 . 2 . 3 . ]"
1 37 VAL 3.696 0.093 38 0 "[ . 1 . 2 . 3 . ]"
1 38 ALA 1.652 0.048 31 0 "[ . 1 . 2 . 3 . ]"
1 39 SER 0.515 0.073 2 0 "[ . 1 . 2 . 3 . ]"
1 40 CYS 0.428 0.073 2 0 "[ . 1 . 2 . 3 . ]"
1 41 ASP 0.909 0.038 2 0 "[ . 1 . 2 . 3 . ]"
1 42 LYS 5.569 0.182 28 0 "[ . 1 . 2 . 3 . ]"
1 43 CYS 4.438 0.184 37 0 "[ . 1 . 2 . 3 . ]"
1 44 GLN 5.012 0.178 33 0 "[ . 1 . 2 . 3 . ]"
1 45 LEU 10.223 0.382 30 0 "[ . 1 . 2 . 3 . ]"
1 46 LYS 10.620 0.382 30 0 "[ . 1 . 2 . 3 . ]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 48 GLU 0.122 0.044 8 0 "[ . 1 . 2 . 3 . ]"
1 49 ALA 0.472 0.074 17 0 "[ . 1 . 2 . 3 . ]"
1 50 MET 0.350 0.074 17 0 "[ . 1 . 2 . 3 . ]"
1 53 GLN 1.903 0.263 24 0 "[ . 1 . 2 . 3 . ]"
1 54 VAL 5.802 0.327 34 0 "[ . 1 . 2 . 3 . ]"
1 55 ASP 5.746 0.327 34 0 "[ . 1 . 2 . 3 . ]"
2 1 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 2 LEU 1.867 0.081 25 0 "[ . 1 . 2 . 3 . ]"
2 3 ASP 5.171 0.125 38 0 "[ . 1 . 2 . 3 . ]"
2 4 GLY 4.281 0.125 38 0 "[ . 1 . 2 . 3 . ]"
2 5 ILE 2.894 0.145 18 0 "[ . 1 . 2 . 3 . ]"
2 6 ASP 4.581 0.120 7 0 "[ . 1 . 2 . 3 . ]"
2 7 LYS 11.291 0.151 14 0 "[ . 1 . 2 . 3 . ]"
2 8 ALA 8.070 0.145 18 0 "[ . 1 . 2 . 3 . ]"
2 9 GLN 7.861 0.155 4 0 "[ . 1 . 2 . 3 . ]"
2 10 GLU 11.778 0.189 17 0 "[ . 1 . 2 . 3 . ]"
2 11 GLU 17.857 0.257 5 0 "[ . 1 . 2 . 3 . ]"
2 12 HIS 7.016 0.140 27 0 "[ . 1 . 2 . 3 . ]"
2 13 GLU 6.813 0.189 17 0 "[ . 1 . 2 . 3 . ]"
2 14 LYS 5.043 0.197 24 0 "[ . 1 . 2 . 3 . ]"
2 15 TYR 14.101 0.257 5 0 "[ . 1 . 2 . 3 . ]"
2 16 HIS 10.236 0.182 28 0 "[ . 1 . 2 . 3 . ]"
2 17 SER 10.705 0.160 26 0 "[ . 1 . 2 . 3 . ]"
2 18 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 19 TRP 3.037 0.156 17 0 "[ . 1 . 2 . 3 . ]"
2 20 ARG 10.255 0.216 25 0 "[ . 1 . 2 . 3 . ]"
2 21 ALA 9.568 0.160 26 0 "[ . 1 . 2 . 3 . ]"
2 22 MET 13.611 0.258 31 0 "[ . 1 . 2 . 3 . ]"
2 23 ALA 17.879 0.258 31 0 "[ . 1 . 2 . 3 . ]"
2 24 SER 7.638 0.120 24 0 "[ . 1 . 2 . 3 . ]"
2 25 ASP 7.915 0.182 36 0 "[ . 1 . 2 . 3 . ]"
2 26 PHE 4.828 0.137 26 0 "[ . 1 . 2 . 3 . ]"
2 27 ASN 1.493 0.120 24 0 "[ . 1 . 2 . 3 . ]"
2 28 LEU 7.864 0.231 4 0 "[ . 1 . 2 . 3 . ]"
2 29 PRO 1.834 0.154 29 0 "[ . 1 . 2 . 3 . ]"
2 30 PRO 10.313 0.237 37 0 "[ . 1 . 2 . 3 . ]"
2 31 VAL 18.616 0.379 29 0 "[ . 1 . 2 . 3 . ]"
2 32 VAL 18.912 0.184 21 0 "[ . 1 . 2 . 3 . ]"
2 33 ALA 10.902 0.231 4 0 "[ . 1 . 2 . 3 . ]"
2 34 LYS 11.053 0.379 29 0 "[ . 1 . 2 . 3 . ]"
2 35 GLU 4.693 0.169 22 0 "[ . 1 . 2 . 3 . ]"
2 36 ILE 6.391 0.155 4 0 "[ . 1 . 2 . 3 . ]"
2 37 VAL 3.768 0.121 38 0 "[ . 1 . 2 . 3 . ]"
2 38 ALA 1.546 0.048 7 0 "[ . 1 . 2 . 3 . ]"
2 39 SER 0.606 0.058 29 0 "[ . 1 . 2 . 3 . ]"
2 40 CYS 0.468 0.051 4 0 "[ . 1 . 2 . 3 . ]"
2 41 ASP 0.908 0.046 19 0 "[ . 1 . 2 . 3 . ]"
2 42 LYS 5.391 0.182 28 0 "[ . 1 . 2 . 3 . ]"
2 43 CYS 4.566 0.191 6 0 "[ . 1 . 2 . 3 . ]"
2 44 GLN 5.014 0.183 33 0 "[ . 1 . 2 . 3 . ]"
2 45 LEU 10.044 0.374 18 0 "[ . 1 . 2 . 3 . ]"
2 46 LYS 10.708 0.374 18 0 "[ . 1 . 2 . 3 . ]"
2 47 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 48 GLU 0.128 0.056 27 0 "[ . 1 . 2 . 3 . ]"
2 49 ALA 0.430 0.079 4 0 "[ . 1 . 2 . 3 . ]"
2 50 MET 0.303 0.079 4 0 "[ . 1 . 2 . 3 . ]"
2 53 GLN 1.901 0.260 24 0 "[ . 1 . 2 . 3 . ]"
2 54 VAL 5.825 0.325 23 0 "[ . 1 . 2 . 3 . ]"
2 55 ASP 5.724 0.325 23 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 2 LEU H 1 2 LEU QB 3.000 . 3.500 2.573 2.497 2.614 . 0 0 "[ . 1 . 2 . 3 . ]" 1
2 1 2 LEU QB 1 3 ASP H 3.000 . 3.500 2.668 2.445 3.057 . 0 0 "[ . 1 . 2 . 3 . ]" 1
3 1 2 LEU QD 1 3 ASP H 4.000 . 5.500 4.045 3.943 4.205 . 0 0 "[ . 1 . 2 . 3 . ]" 1
4 1 2 LEU HA 1 3 ASP H 3.000 . 3.500 3.548 3.466 3.582 0.082 17 0 "[ . 1 . 2 . 3 . ]" 1
5 1 2 LEU HA 1 5 ILE H 4.000 . 5.000 3.752 3.507 4.012 . 0 0 "[ . 1 . 2 . 3 . ]" 1
6 1 3 ASP H 1 4 GLY H 3.000 . 3.500 2.846 2.721 2.994 . 0 0 "[ . 1 . 2 . 3 . ]" 1
7 1 3 ASP QB 1 4 GLY H 2.500 . 2.900 2.451 2.018 3.050 0.150 38 0 "[ . 1 . 2 . 3 . ]" 1
8 1 3 ASP HA 1 4 GLY H 3.000 . 3.500 3.576 3.553 3.597 0.097 37 0 "[ . 1 . 2 . 3 . ]" 1
9 1 3 ASP HA 1 5 ILE H 4.000 . 5.000 4.721 4.578 4.892 . 0 0 "[ . 1 . 2 . 3 . ]" 1
10 1 3 ASP HA 1 6 ASP H 4.000 . 5.000 3.732 3.575 3.876 . 0 0 "[ . 1 . 2 . 3 . ]" 1
11 1 3 ASP HA 1 7 LYS H 4.000 . 6.000 4.691 4.541 4.853 . 0 0 "[ . 1 . 2 . 3 . ]" 1
12 1 4 GLY H 1 5 ILE H 2.500 . 2.900 2.684 2.557 2.794 . 0 0 "[ . 1 . 2 . 3 . ]" 1
13 1 4 GLY QA 1 5 ILE H 3.000 . 3.500 2.684 2.634 2.736 . 0 0 "[ . 1 . 2 . 3 . ]" 1
14 1 4 GLY QA 1 6 ASP H 4.000 . 5.000 4.029 3.969 4.074 . 0 0 "[ . 1 . 2 . 3 . ]" 1
15 1 4 GLY QA 1 7 LYS H 4.000 . 5.000 3.534 3.408 3.634 . 0 0 "[ . 1 . 2 . 3 . ]" 1
16 1 4 GLY QA 1 8 ALA H 4.000 . 5.000 3.952 3.757 4.142 . 0 0 "[ . 1 . 2 . 3 . ]" 1
17 1 5 ILE H 1 6 ASP H 2.500 . 2.900 2.783 2.743 2.849 . 0 0 "[ . 1 . 2 . 3 . ]" 1
18 1 5 ILE QG 1 6 ASP H 4.000 . 5.000 4.155 4.054 4.227 . 0 0 "[ . 1 . 2 . 3 . ]" 1
19 1 5 ILE HB 1 6 ASP H 3.000 . 3.500 2.691 2.608 2.780 . 0 0 "[ . 1 . 2 . 3 . ]" 1
20 1 5 ILE MG 1 6 ASP H 2.500 . 3.400 3.353 3.278 3.410 0.010 1 0 "[ . 1 . 2 . 3 . ]" 1
21 1 5 ILE HA 1 6 ASP H 4.000 . 5.000 3.568 3.552 3.588 . 0 0 "[ . 1 . 2 . 3 . ]" 1
22 1 5 ILE H 1 6 ASP QB 4.000 . 5.000 4.651 4.504 4.853 . 0 0 "[ . 1 . 2 . 3 . ]" 1
23 1 5 ILE HA 1 7 LYS H 4.000 . 6.000 4.407 4.201 4.511 . 0 0 "[ . 1 . 2 . 3 . ]" 1
24 1 5 ILE HA 1 8 ALA H 3.000 . 3.500 3.198 3.118 3.306 . 0 0 "[ . 1 . 2 . 3 . ]" 1
25 1 5 ILE QG 1 8 ALA H 4.000 . 5.000 5.065 5.016 5.160 0.160 28 0 "[ . 1 . 2 . 3 . ]" 1
26 1 5 ILE MD 1 9 GLN H 4.000 . 6.500 6.034 5.860 6.205 . 0 0 "[ . 1 . 2 . 3 . ]" 1
27 1 5 ILE HA 1 9 GLN H 4.000 . 5.000 3.417 3.255 3.514 . 0 0 "[ . 1 . 2 . 3 . ]" 1
28 1 6 ASP QB 1 7 LYS H 2.500 . 2.900 2.434 2.352 2.546 . 0 0 "[ . 1 . 2 . 3 . ]" 1
29 1 6 ASP H 1 7 LYS H 2.500 . 2.900 2.843 2.793 2.911 0.011 13 0 "[ . 1 . 2 . 3 . ]" 1
30 1 6 ASP HA 1 7 LYS H 3.000 . 3.500 3.573 3.551 3.594 0.094 6 0 "[ . 1 . 2 . 3 . ]" 1
31 1 6 ASP HA 1 8 ALA H 4.000 . 5.000 4.626 4.521 4.746 . 0 0 "[ . 1 . 2 . 3 . ]" 1
32 1 6 ASP H 1 8 ALA H 4.000 . 5.000 4.140 4.038 4.291 . 0 0 "[ . 1 . 2 . 3 . ]" 1
33 1 6 ASP H 1 8 ALA MB 4.000 . 6.500 4.793 4.699 4.911 . 0 0 "[ . 1 . 2 . 3 . ]" 1
34 1 6 ASP HA 1 9 GLN H 3.000 . 3.500 3.549 3.469 3.592 0.092 2 0 "[ . 1 . 2 . 3 . ]" 1
35 1 6 ASP QB 1 8 ALA H 4.000 . 5.000 4.643 4.542 4.767 . 0 0 "[ . 1 . 2 . 3 . ]" 1
36 1 6 ASP HA 1 10 GLU H 4.000 . 5.000 4.459 4.300 4.605 . 0 0 "[ . 1 . 2 . 3 . ]" 1
37 1 7 LYS H 1 7 LYS QB 3.000 . 3.500 2.415 2.214 2.495 . 0 0 "[ . 1 . 2 . 3 . ]" 1
38 1 7 LYS HA 1 8 ALA H 3.000 . 3.500 3.552 3.532 3.569 0.069 29 0 "[ . 1 . 2 . 3 . ]" 1
39 1 7 LYS H 1 8 ALA H 2.500 . 2.900 2.597 2.558 2.634 . 0 0 "[ . 1 . 2 . 3 . ]" 1
40 1 7 LYS QB 1 8 ALA H 2.500 . 2.900 2.486 2.372 2.577 . 0 0 "[ . 1 . 2 . 3 . ]" 1
41 1 7 LYS QB 1 9 GLN H 4.000 . 6.000 4.607 4.508 4.707 . 0 0 "[ . 1 . 2 . 3 . ]" 1
42 1 7 LYS HA 1 9 GLN H 4.000 . 5.000 4.343 4.256 4.459 . 0 0 "[ . 1 . 2 . 3 . ]" 1
43 1 7 LYS H 1 9 GLN H 4.000 . 5.000 3.959 3.861 4.078 . 0 0 "[ . 1 . 2 . 3 . ]" 1
44 1 7 LYS HA 1 10 GLU H 3.000 . 3.500 3.614 3.536 3.653 0.153 17 0 "[ . 1 . 2 . 3 . ]" 1
45 1 7 LYS HA 1 11 GLU H 4.000 . 5.000 4.796 4.699 4.934 . 0 0 "[ . 1 . 2 . 3 . ]" 1
46 1 8 ALA H 1 9 GLN H 2.500 . 2.900 2.621 2.580 2.705 . 0 0 "[ . 1 . 2 . 3 . ]" 1
47 1 8 ALA H 1 9 GLN QB 4.000 . 6.000 4.397 4.338 4.497 . 0 0 "[ . 1 . 2 . 3 . ]" 1
48 1 8 ALA H 1 9 GLN HA 4.000 . 6.000 5.257 5.221 5.323 . 0 0 "[ . 1 . 2 . 3 . ]" 1
49 1 8 ALA MB 1 9 GLN H 2.500 . 3.400 2.628 2.556 2.726 . 0 0 "[ . 1 . 2 . 3 . ]" 1
50 1 8 ALA HA 1 9 GLN H 3.000 . 3.500 3.533 3.509 3.556 0.056 6 0 "[ . 1 . 2 . 3 . ]" 1
51 1 8 ALA MB 1 10 GLU H 4.000 . 6.500 4.567 4.522 4.622 . 0 0 "[ . 1 . 2 . 3 . ]" 1
52 1 8 ALA H 1 10 GLU H 4.000 . 5.000 4.276 4.201 4.355 . 0 0 "[ . 1 . 2 . 3 . ]" 1
53 1 8 ALA HA 1 11 GLU H 3.000 . 3.500 3.232 3.172 3.341 . 0 0 "[ . 1 . 2 . 3 . ]" 1
54 1 8 ALA H 1 26 PHE QE 4.000 . 5.000 4.045 3.819 4.271 . 0 0 "[ . 1 . 2 . 3 . ]" 1
55 1 8 ALA MB 1 26 PHE H 4.000 . 6.500 5.014 4.888 5.196 . 0 0 "[ . 1 . 2 . 3 . ]" 1
56 1 8 ALA H 1 28 LEU QD 4.000 . 6.500 4.977 4.744 5.294 . 0 0 "[ . 1 . 2 . 3 . ]" 1
57 1 9 GLN H 1 10 GLU H 2.500 . 2.900 2.770 2.711 2.817 . 0 0 "[ . 1 . 2 . 3 . ]" 1
58 1 9 GLN QB 1 10 GLU H 2.500 . 2.900 2.560 2.499 2.605 . 0 0 "[ . 1 . 2 . 3 . ]" 1
59 1 9 GLN HA 1 10 GLU H 3.000 . 3.500 3.563 3.546 3.579 0.079 27 0 "[ . 1 . 2 . 3 . ]" 1
60 1 9 GLN H 1 11 GLU H 4.000 . 5.000 4.213 4.088 4.319 . 0 0 "[ . 1 . 2 . 3 . ]" 1
61 1 9 GLN HA 1 11 GLU H 4.000 . 6.000 4.365 4.264 4.505 . 0 0 "[ . 1 . 2 . 3 . ]" 1
62 1 9 GLN HA 1 12 HIS H 4.000 . 5.000 3.304 3.219 3.494 . 0 0 "[ . 1 . 2 . 3 . ]" 1
63 1 9 GLN HA 1 13 GLU H 4.000 . 5.000 4.223 4.028 4.430 . 0 0 "[ . 1 . 2 . 3 . ]" 1
64 1 9 GLN H 1 36 ILE QG 4.000 . 5.500 4.821 4.572 5.080 . 0 0 "[ . 1 . 2 . 3 . ]" 1
65 1 9 GLN H 1 36 ILE MG 4.000 . 5.500 4.439 4.210 4.708 . 0 0 "[ . 1 . 2 . 3 . ]" 1
66 1 9 GLN H 1 36 ILE MD 3.000 . 4.000 3.340 3.140 3.617 . 0 0 "[ . 1 . 2 . 3 . ]" 1
67 1 10 GLU H 1 11 GLU H 2.500 . 2.900 2.692 2.618 2.730 . 0 0 "[ . 1 . 2 . 3 . ]" 1
68 1 10 GLU QB 1 11 GLU H 2.500 . 2.900 2.524 2.429 2.585 . 0 0 "[ . 1 . 2 . 3 . ]" 1
69 1 10 GLU QG 1 11 GLU H 4.000 . 5.000 3.776 3.674 3.853 . 0 0 "[ . 1 . 2 . 3 . ]" 1
70 1 10 GLU H 1 11 GLU HA 4.000 . 6.000 5.349 5.291 5.379 . 0 0 "[ . 1 . 2 . 3 . ]" 1
71 1 10 GLU HA 1 12 HIS H 4.000 . 5.000 4.342 4.274 4.499 . 0 0 "[ . 1 . 2 . 3 . ]" 1
72 1 10 GLU H 1 12 HIS H 4.000 . 5.000 4.134 4.066 4.252 . 0 0 "[ . 1 . 2 . 3 . ]" 1
73 1 10 GLU HA 1 13 GLU H 3.000 . 3.500 3.405 3.325 3.481 . 0 0 "[ . 1 . 2 . 3 . ]" 1
74 1 11 GLU QB 1 12 HIS H 3.000 . 3.500 2.546 2.441 2.605 . 0 0 "[ . 1 . 2 . 3 . ]" 1
75 1 11 GLU H 1 12 HIS H 2.500 . 2.900 2.693 2.645 2.762 . 0 0 "[ . 1 . 2 . 3 . ]" 1
76 1 11 GLU HA 1 12 HIS H 3.000 . 3.500 3.551 3.537 3.567 0.067 20 0 "[ . 1 . 2 . 3 . ]" 1
77 1 11 GLU H 1 12 HIS QB 4.000 . 6.000 4.505 4.441 4.581 . 0 0 "[ . 1 . 2 . 3 . ]" 1
78 1 11 GLU H 1 13 GLU H 4.000 . 5.000 4.293 4.228 4.351 . 0 0 "[ . 1 . 2 . 3 . ]" 1
79 1 11 GLU HA 1 13 GLU H 4.000 . 5.000 4.542 4.351 4.651 . 0 0 "[ . 1 . 2 . 3 . ]" 1
80 1 11 GLU HA 1 14 LYS H 4.000 . 5.000 3.518 3.395 3.608 . 0 0 "[ . 1 . 2 . 3 . ]" 1
81 1 11 GLU H 1 26 PHE QE 4.000 . 5.000 4.659 4.495 4.798 . 0 0 "[ . 1 . 2 . 3 . ]" 1
82 1 11 GLU HA 1 15 TYR H 4.000 . 5.000 4.481 4.319 4.628 . 0 0 "[ . 1 . 2 . 3 . ]" 1
83 1 12 HIS H 1 12 HIS QB 3.000 . 3.500 2.311 2.284 2.333 . 0 0 "[ . 1 . 2 . 3 . ]" 1
84 1 12 HIS QB 1 13 GLU H 3.000 . 3.500 2.431 2.341 2.581 . 0 0 "[ . 1 . 2 . 3 . ]" 1
85 1 12 HIS H 1 13 GLU H 2.500 . 2.900 2.758 2.706 2.789 . 0 0 "[ . 1 . 2 . 3 . ]" 1
86 1 12 HIS HA 1 13 GLU H 3.000 . 3.500 3.560 3.537 3.574 0.074 35 0 "[ . 1 . 2 . 3 . ]" 1
87 1 12 HIS H 1 14 LYS H 4.000 . 5.000 4.232 4.133 4.364 . 0 0 "[ . 1 . 2 . 3 . ]" 1
88 1 12 HIS HA 1 15 TYR H 4.000 . 5.000 3.619 3.549 3.685 . 0 0 "[ . 1 . 2 . 3 . ]" 1
89 1 12 HIS HA 1 16 HIS H 3.000 . 3.500 3.150 3.069 3.237 . 0 0 "[ . 1 . 2 . 3 . ]" 1
90 1 12 HIS HA 1 17 SER H 3.000 . 3.500 2.595 2.412 2.762 . 0 0 "[ . 1 . 2 . 3 . ]" 1
91 1 12 HIS H 1 36 ILE MG 4.000 . 6.500 4.107 3.879 4.286 . 0 0 "[ . 1 . 2 . 3 . ]" 1
92 1 13 GLU H 1 14 LYS H 2.500 . 2.900 2.762 2.715 2.828 . 0 0 "[ . 1 . 2 . 3 . ]" 1
93 1 13 GLU HA 1 14 LYS H 4.000 . 5.000 3.551 3.535 3.570 . 0 0 "[ . 1 . 2 . 3 . ]" 1
94 1 13 GLU QB 1 14 LYS H 2.500 . 2.900 2.490 2.411 2.589 . 0 0 "[ . 1 . 2 . 3 . ]" 1
95 1 13 GLU H 1 14 LYS QB 4.000 . 6.000 4.728 4.675 4.794 . 0 0 "[ . 1 . 2 . 3 . ]" 1
96 1 13 GLU H 1 15 TYR H 4.000 . 5.000 4.342 4.277 4.439 . 0 0 "[ . 1 . 2 . 3 . ]" 1
97 1 13 GLU HA 1 15 TYR H 4.000 . 5.000 4.348 4.212 4.564 . 0 0 "[ . 1 . 2 . 3 . ]" 1
98 1 13 GLU HA 1 16 HIS H 4.000 . 5.000 3.807 3.742 3.863 . 0 0 "[ . 1 . 2 . 3 . ]" 1
99 1 13 GLU H 1 36 ILE MG 4.000 . 6.500 4.823 4.685 4.957 . 0 0 "[ . 1 . 2 . 3 . ]" 1
100 1 14 LYS HA 1 15 TYR H 3.000 . 3.500 3.567 3.545 3.588 0.088 30 0 "[ . 1 . 2 . 3 . ]" 1
101 1 14 LYS QB 1 15 TYR H 2.500 . 2.900 2.777 2.622 2.883 . 0 0 "[ . 1 . 2 . 3 . ]" 1
102 1 14 LYS QB 1 16 HIS H 4.000 . 6.000 4.524 4.440 4.576 . 0 0 "[ . 1 . 2 . 3 . ]" 1
103 1 14 LYS H 1 15 TYR H 2.500 . 2.900 2.847 2.807 2.883 . 0 0 "[ . 1 . 2 . 3 . ]" 1
104 1 14 LYS H 1 15 TYR QD 4.000 . 6.000 4.195 4.062 4.335 . 0 0 "[ . 1 . 2 . 3 . ]" 1
105 1 14 LYS H 1 16 HIS H 4.000 . 5.000 4.048 3.959 4.113 . 0 0 "[ . 1 . 2 . 3 . ]" 1
106 1 15 TYR QD 1 16 HIS H 4.000 . 5.000 4.239 4.112 4.436 . 0 0 "[ . 1 . 2 . 3 . ]" 1
107 1 15 TYR QB 1 16 HIS H 4.000 . 5.000 3.300 3.200 3.402 . 0 0 "[ . 1 . 2 . 3 . ]" 1
108 1 15 TYR H 1 16 HIS H 2.500 . 2.900 1.958 1.871 2.113 . 0 0 "[ . 1 . 2 . 3 . ]" 1
109 1 15 TYR QB 1 17 SER H 4.000 . 6.000 2.881 2.737 3.147 . 0 0 "[ . 1 . 2 . 3 . ]" 1
110 1 16 HIS H 1 16 HIS HA 2.500 . 2.900 2.347 2.333 2.360 . 0 0 "[ . 1 . 2 . 3 . ]" 1
111 1 16 HIS H 1 16 HIS QB 3.000 . 3.500 3.329 3.306 3.368 . 0 0 "[ . 1 . 2 . 3 . ]" 1
112 1 16 HIS H 1 17 SER H 4.000 . 5.000 2.693 2.650 2.761 . 0 0 "[ . 1 . 2 . 3 . ]" 1
113 1 16 HIS H 1 17 SER HA 4.000 . 5.000 5.102 5.073 5.137 0.137 24 0 "[ . 1 . 2 . 3 . ]" 1
114 1 16 HIS HA 1 17 SER H 4.000 . 5.000 2.765 2.681 2.824 . 0 0 "[ . 1 . 2 . 3 . ]" 1
115 1 17 SER HA 1 18 ASN H 2.500 . 2.900 2.355 2.317 2.411 . 0 0 "[ . 1 . 2 . 3 . ]" 1
116 1 17 SER QB 1 18 ASN H 2.500 . 2.900 2.648 2.558 2.799 . 0 0 "[ . 1 . 2 . 3 . ]" 1
117 1 17 SER QB 1 20 ARG H 4.000 . 6.000 6.079 5.944 6.136 0.136 9 0 "[ . 1 . 2 . 3 . ]" 1
118 1 18 ASN H 1 18 ASN QD 4.000 . 5.000 3.442 2.541 3.889 . 0 0 "[ . 1 . 2 . 3 . ]" 1
119 1 18 ASN QB 1 19 TRP H 2.500 . 2.900 2.604 2.517 2.786 . 0 0 "[ . 1 . 2 . 3 . ]" 1
120 1 18 ASN HA 1 19 TRP H 2.500 . 2.900 2.387 2.318 2.447 . 0 0 "[ . 1 . 2 . 3 . ]" 1
121 1 18 ASN H 1 19 TRP H 4.000 . 5.000 4.667 4.648 4.693 . 0 0 "[ . 1 . 2 . 3 . ]" 1
122 1 18 ASN QB 1 20 ARG H 4.000 . 5.000 2.604 2.504 2.675 . 0 0 "[ . 1 . 2 . 3 . ]" 1
123 1 18 ASN HA 1 20 ARG H 4.000 . 5.000 4.177 4.076 4.252 . 0 0 "[ . 1 . 2 . 3 . ]" 1
124 1 18 ASN HB3 1 21 ALA H 4.000 . 6.000 3.945 3.751 4.139 . 0 0 "[ . 1 . 2 . 3 . ]" 1
125 1 18 ASN H 1 21 ALA MB 2.500 . 3.400 2.851 2.719 3.023 . 0 0 "[ . 1 . 2 . 3 . ]" 1
126 1 19 TRP H 1 19 TRP HD1 2.500 . 2.900 2.574 2.428 2.772 . 0 0 "[ . 1 . 2 . 3 . ]" 1
127 1 19 TRP QB 1 20 ARG H 4.000 . 5.000 3.580 3.547 3.612 . 0 0 "[ . 1 . 2 . 3 . ]" 1
128 1 19 TRP H 1 20 ARG H 3.000 . 3.500 2.768 2.712 2.844 . 0 0 "[ . 1 . 2 . 3 . ]" 1
129 1 19 TRP HA 1 20 ARG H 4.000 . 5.000 3.515 3.488 3.532 . 0 0 "[ . 1 . 2 . 3 . ]" 1
130 1 19 TRP HA 1 21 ALA H 4.000 . 6.000 4.272 4.206 4.414 . 0 0 "[ . 1 . 2 . 3 . ]" 1
131 1 19 TRP HA 1 22 MET H 3.000 . 3.500 3.392 3.244 3.497 . 0 0 "[ . 1 . 2 . 3 . ]" 1
132 1 19 TRP HA 1 23 ALA H 4.000 . 5.000 3.736 3.506 3.915 . 0 0 "[ . 1 . 2 . 3 . ]" 1
133 1 19 TRP HE3 1 23 ALA H 4.000 . 5.000 3.836 3.644 4.019 . 0 0 "[ . 1 . 2 . 3 . ]" 1
134 1 19 TRP QB 1 33 ALA H 4.000 . 5.000 4.482 4.392 4.635 . 0 0 "[ . 1 . 2 . 3 . ]" 1
135 1 19 TRP QB 1 34 LYS H 4.000 . 5.000 2.971 2.873 3.187 . 0 0 "[ . 1 . 2 . 3 . ]" 1
136 1 19 TRP H 1 37 VAL QG 2.500 . 3.400 2.626 2.237 2.861 . 0 0 "[ . 1 . 2 . 3 . ]" 1
137 1 20 ARG QG 1 21 ALA H 4.000 . 5.000 4.046 3.896 4.149 . 0 0 "[ . 1 . 2 . 3 . ]" 1
138 1 20 ARG H 1 21 ALA H 2.500 . 2.900 2.702 2.647 2.770 . 0 0 "[ . 1 . 2 . 3 . ]" 1
139 1 20 ARG QB 1 21 ALA H 3.000 . 3.500 2.546 2.472 2.613 . 0 0 "[ . 1 . 2 . 3 . ]" 1
140 1 20 ARG HA 1 21 ALA H 3.000 . 3.500 3.549 3.529 3.577 0.077 23 0 "[ . 1 . 2 . 3 . ]" 1
141 1 20 ARG H 1 22 MET H 4.000 . 5.000 4.324 4.182 4.390 . 0 0 "[ . 1 . 2 . 3 . ]" 1
142 1 20 ARG HA 1 22 MET H 4.000 . 5.000 4.753 4.650 4.805 . 0 0 "[ . 1 . 2 . 3 . ]" 1
143 1 20 ARG HA 1 23 ALA H 3.000 . 3.500 3.630 3.574 3.732 0.232 25 0 "[ . 1 . 2 . 3 . ]" 1
144 1 20 ARG H 1 23 ALA H 4.000 . 6.000 4.666 4.551 4.763 . 0 0 "[ . 1 . 2 . 3 . ]" 1
145 1 21 ALA H 1 22 MET H 2.500 . 2.900 2.689 2.589 2.751 . 0 0 "[ . 1 . 2 . 3 . ]" 1
146 1 21 ALA MB 1 22 MET H 2.500 . 3.400 2.494 2.357 2.560 . 0 0 "[ . 1 . 2 . 3 . ]" 1
147 1 21 ALA HA 1 22 MET H 3.000 . 3.500 3.570 3.541 3.584 0.084 18 0 "[ . 1 . 2 . 3 . ]" 1
148 1 21 ALA H 1 22 MET HA 4.000 . 6.000 5.330 5.260 5.388 . 0 0 "[ . 1 . 2 . 3 . ]" 1
149 1 21 ALA H 1 23 ALA H 4.000 . 5.000 4.019 3.969 4.132 . 0 0 "[ . 1 . 2 . 3 . ]" 1
150 1 21 ALA MB 1 23 ALA H 4.000 . 5.500 4.451 4.390 4.570 . 0 0 "[ . 1 . 2 . 3 . ]" 1
151 1 21 ALA HA 1 23 ALA H 4.000 . 5.000 4.429 4.369 4.550 . 0 0 "[ . 1 . 2 . 3 . ]" 1
152 1 21 ALA HA 1 24 SER H 3.000 . 3.500 3.559 3.508 3.642 0.142 4 0 "[ . 1 . 2 . 3 . ]" 1
153 1 21 ALA MB 1 24 SER H 4.000 . 6.500 4.694 4.633 4.745 . 0 0 "[ . 1 . 2 . 3 . ]" 1
154 1 21 ALA MB 1 25 ASP H 4.000 . 5.500 4.488 4.380 4.634 . 0 0 "[ . 1 . 2 . 3 . ]" 1
155 1 21 ALA HA 1 25 ASP H 4.000 . 5.000 4.028 3.867 4.224 . 0 0 "[ . 1 . 2 . 3 . ]" 1
156 1 22 MET QG 1 23 ALA H 4.000 . 5.000 4.073 3.964 4.204 . 0 0 "[ . 1 . 2 . 3 . ]" 1
157 1 22 MET QB 1 23 ALA H 3.000 . 3.500 2.559 2.387 2.645 . 0 0 "[ . 1 . 2 . 3 . ]" 1
158 1 22 MET ME 1 23 ALA H 3.000 . 4.000 4.198 4.151 4.248 0.248 7 0 "[ . 1 . 2 . 3 . ]" 1
159 1 22 MET H 1 23 ALA H 2.500 . 2.900 2.712 2.674 2.764 . 0 0 "[ . 1 . 2 . 3 . ]" 1
160 1 22 MET HA 1 23 ALA H 3.000 . 3.500 3.552 3.535 3.569 0.069 31 0 "[ . 1 . 2 . 3 . ]" 1
161 1 22 MET HA 1 25 ASP H 3.000 . 3.500 3.264 3.126 3.353 . 0 0 "[ . 1 . 2 . 3 . ]" 1
162 1 22 MET QG 1 25 ASP H 4.000 . 6.000 5.136 5.024 5.204 . 0 0 "[ . 1 . 2 . 3 . ]" 1
163 1 22 MET H 1 33 ALA MB 4.000 . 6.500 3.991 3.809 4.370 . 0 0 "[ . 1 . 2 . 3 . ]" 1
164 1 23 ALA H 1 24 SER H 2.500 . 2.900 2.796 2.720 2.837 . 0 0 "[ . 1 . 2 . 3 . ]" 1
165 1 23 ALA H 1 24 SER QB 4.000 . 5.000 4.691 4.525 4.950 . 0 0 "[ . 1 . 2 . 3 . ]" 1
166 1 23 ALA HA 1 24 SER H 3.000 . 3.500 3.566 3.547 3.578 0.078 31 0 "[ . 1 . 2 . 3 . ]" 1
167 1 23 ALA MB 1 24 SER H 2.500 . 3.400 2.402 2.302 2.493 . 0 0 "[ . 1 . 2 . 3 . ]" 1
168 1 23 ALA H 1 26 PHE QD 4.000 . 6.000 5.273 5.170 5.540 . 0 0 "[ . 1 . 2 . 3 . ]" 1
169 1 23 ALA MB 1 27 ASN H 4.000 . 5.500 4.630 4.533 4.729 . 0 0 "[ . 1 . 2 . 3 . ]" 1
170 1 23 ALA H 1 28 LEU H 4.000 . 6.000 5.310 5.219 5.391 . 0 0 "[ . 1 . 2 . 3 . ]" 1
171 1 23 ALA H 1 28 LEU QD 4.000 . 6.500 5.859 5.589 6.113 . 0 0 "[ . 1 . 2 . 3 . ]" 1
172 1 23 ALA HA 1 28 LEU H 2.500 . 2.900 2.596 2.498 2.663 . 0 0 "[ . 1 . 2 . 3 . ]" 1
173 1 23 ALA H 1 33 ALA MB 3.000 . 4.000 2.702 2.504 2.902 . 0 0 "[ . 1 . 2 . 3 . ]" 1
174 1 23 ALA MB 1 33 ALA H 4.000 . 5.500 4.054 3.755 4.298 . 0 0 "[ . 1 . 2 . 3 . ]" 1
175 1 24 SER HA 1 25 ASP H 3.000 . 3.500 3.541 3.526 3.555 0.055 33 0 "[ . 1 . 2 . 3 . ]" 1
176 1 24 SER QB 1 25 ASP H 2.500 . 2.900 2.645 2.571 2.729 . 0 0 "[ . 1 . 2 . 3 . ]" 1
177 1 24 SER H 1 25 ASP H 2.500 . 2.900 2.597 2.539 2.637 . 0 0 "[ . 1 . 2 . 3 . ]" 1
178 1 24 SER HA 1 26 PHE H 4.000 . 5.000 4.361 4.300 4.479 . 0 0 "[ . 1 . 2 . 3 . ]" 1
179 1 24 SER QB 1 26 PHE H 4.000 . 5.000 4.839 4.754 4.975 . 0 0 "[ . 1 . 2 . 3 . ]" 1
180 1 24 SER H 1 26 PHE H 4.000 . 5.000 4.310 4.234 4.429 . 0 0 "[ . 1 . 2 . 3 . ]" 1
181 1 24 SER HA 1 27 ASN H 4.000 . 5.000 3.151 3.079 3.268 . 0 0 "[ . 1 . 2 . 3 . ]" 1
182 1 25 ASP H 1 26 PHE H 2.500 . 2.900 2.773 2.714 2.829 . 0 0 "[ . 1 . 2 . 3 . ]" 1
183 1 25 ASP QB 1 26 PHE H 2.500 . 2.900 2.545 2.406 2.661 . 0 0 "[ . 1 . 2 . 3 . ]" 1
184 1 25 ASP HA 1 26 PHE H 3.000 . 3.500 3.557 3.539 3.576 0.076 10 0 "[ . 1 . 2 . 3 . ]" 1
185 1 25 ASP H 1 26 PHE QB 4.000 . 6.000 4.950 4.852 5.043 . 0 0 "[ . 1 . 2 . 3 . ]" 1
186 1 25 ASP H 1 27 ASN H 4.000 . 5.000 3.708 3.649 3.750 . 0 0 "[ . 1 . 2 . 3 . ]" 1
187 1 25 ASP HA 1 27 ASN H 4.000 . 5.000 4.277 4.207 4.346 . 0 0 "[ . 1 . 2 . 3 . ]" 1
188 1 26 PHE H 1 26 PHE QD 2.500 . 2.900 2.527 2.306 2.711 . 0 0 "[ . 1 . 2 . 3 . ]" 1
189 1 26 PHE H 1 27 ASN H 2.500 . 2.900 2.174 2.081 2.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1
190 1 26 PHE HA 1 27 ASN H 4.000 . 5.000 3.291 3.244 3.321 . 0 0 "[ . 1 . 2 . 3 . ]" 1
191 1 26 PHE H 1 27 ASN HA 4.000 . 5.000 4.409 4.327 4.489 . 0 0 "[ . 1 . 2 . 3 . ]" 1
192 1 26 PHE H 1 28 LEU H 4.000 . 5.000 3.759 3.591 3.903 . 0 0 "[ . 1 . 2 . 3 . ]" 1
193 1 26 PHE H 1 28 LEU QD 4.000 . 6.500 4.274 4.090 4.571 . 0 0 "[ . 1 . 2 . 3 . ]" 1
194 1 27 ASN H 1 28 LEU H 2.500 . 2.900 2.861 2.773 2.947 0.047 12 0 "[ . 1 . 2 . 3 . ]" 1
195 1 27 ASN HB2 1 28 LEU H 4.000 . 5.000 4.460 4.253 4.705 . 0 0 "[ . 1 . 2 . 3 . ]" 1
196 1 27 ASN HA 1 28 LEU H 2.500 . 2.900 2.750 2.686 2.827 . 0 0 "[ . 1 . 2 . 3 . ]" 1
197 1 27 ASN HB3 1 28 LEU H 4.000 . 5.000 4.401 4.257 4.660 . 0 0 "[ . 1 . 2 . 3 . ]" 1
198 1 28 LEU QD 1 32 VAL H 4.000 . 6.500 4.838 4.677 4.977 . 0 0 "[ . 1 . 2 . 3 . ]" 1
199 1 28 LEU HA 1 29 PRO HD3 3.000 . 3.300 2.468 2.204 2.555 . 0 0 "[ . 1 . 2 . 3 . ]" 1
200 1 28 LEU HA 1 32 VAL H 4.000 . 6.000 6.046 5.908 6.140 0.140 4 0 "[ . 1 . 2 . 3 . ]" 1
201 1 28 LEU HA 1 29 PRO HD2 3.000 . 3.300 2.383 2.311 2.705 . 0 0 "[ . 1 . 2 . 3 . ]" 1
202 1 28 LEU H 1 33 ALA MB 4.000 . 5.500 4.626 4.417 4.797 . 0 0 "[ . 1 . 2 . 3 . ]" 1
203 1 28 LEU QB 1 33 ALA H 3.000 . 3.500 3.630 3.542 3.729 0.229 30 0 "[ . 1 . 2 . 3 . ]" 1
204 1 28 LEU QD 1 33 ALA H 4.000 . 5.500 4.478 4.357 4.572 . 0 0 "[ . 1 . 2 . 3 . ]" 1
205 1 29 PRO HA 1 30 PRO HD3 3.000 . 3.300 2.401 2.271 2.579 . 0 0 "[ . 1 . 2 . 3 . ]" 1
206 1 29 PRO HA 1 30 PRO HD2 3.000 . 3.300 2.382 2.298 2.488 . 0 0 "[ . 1 . 2 . 3 . ]" 1
207 1 29 PRO QB 1 31 VAL H 3.000 . 3.500 2.620 2.399 2.889 . 0 0 "[ . 1 . 2 . 3 . ]" 1
208 1 29 PRO QB 1 32 VAL H 3.000 . 3.500 3.449 2.720 3.662 0.162 27 0 "[ . 1 . 2 . 3 . ]" 1
209 1 30 PRO HA 1 31 VAL H 3.000 . 3.500 3.535 3.512 3.560 0.060 5 0 "[ . 1 . 2 . 3 . ]" 1
210 1 30 PRO QG 1 31 VAL H 3.000 . 3.500 3.239 2.490 3.722 0.222 12 0 "[ . 1 . 2 . 3 . ]" 1
211 1 30 PRO QB 1 31 VAL H 3.000 . 3.500 2.837 2.532 3.193 . 0 0 "[ . 1 . 2 . 3 . ]" 1
212 1 30 PRO QB 1 32 VAL H 4.000 . 5.000 5.057 4.885 5.211 0.211 31 0 "[ . 1 . 2 . 3 . ]" 1
213 1 30 PRO HA 1 33 ALA H 3.000 . 3.500 3.533 3.405 3.608 0.108 23 0 "[ . 1 . 2 . 3 . ]" 1
214 1 30 PRO HA 1 34 LYS H 4.000 . 5.000 3.294 3.095 3.447 . 0 0 "[ . 1 . 2 . 3 . ]" 1
215 1 31 VAL H 1 31 VAL HB 2.500 . 2.900 2.546 2.363 2.646 . 0 0 "[ . 1 . 2 . 3 . ]" 1
216 1 31 VAL H 1 32 VAL H 2.500 . 2.900 2.935 2.849 3.023 0.123 7 0 "[ . 1 . 2 . 3 . ]" 1
217 1 31 VAL HA 1 32 VAL H 3.000 . 3.500 3.574 3.559 3.592 0.092 5 0 "[ . 1 . 2 . 3 . ]" 1
218 1 31 VAL HA 1 33 ALA H 4.000 . 5.000 4.788 4.709 4.864 . 0 0 "[ . 1 . 2 . 3 . ]" 1
219 1 31 VAL H 1 33 ALA H 4.000 . 5.000 4.375 4.235 4.463 . 0 0 "[ . 1 . 2 . 3 . ]" 1
220 1 31 VAL HA 1 34 LYS H 3.000 . 3.500 3.732 3.641 3.844 0.344 29 0 "[ . 1 . 2 . 3 . ]" 1
221 1 31 VAL HA 1 35 GLU H 4.000 . 5.000 3.827 3.671 4.040 . 0 0 "[ . 1 . 2 . 3 . ]" 1
222 1 32 VAL HB 1 33 ALA H 2.500 . 2.900 2.433 2.365 2.489 . 0 0 "[ . 1 . 2 . 3 . ]" 1
223 1 32 VAL H 1 33 ALA H 2.500 . 2.900 2.711 2.647 2.811 . 0 0 "[ . 1 . 2 . 3 . ]" 1
224 1 32 VAL HA 1 33 ALA H 3.000 . 3.500 3.562 3.543 3.587 0.087 23 0 "[ . 1 . 2 . 3 . ]" 1
225 1 32 VAL H 1 34 LYS H 4.000 . 5.000 4.135 3.983 4.223 . 0 0 "[ . 1 . 2 . 3 . ]" 1
226 1 32 VAL QG 1 34 LYS H 4.000 . 5.000 4.697 4.586 4.761 . 0 0 "[ . 1 . 2 . 3 . ]" 1
227 1 32 VAL HB 1 34 LYS H 4.000 . 5.000 5.006 4.832 5.083 0.083 4 0 "[ . 1 . 2 . 3 . ]" 1
228 1 32 VAL HA 1 35 GLU H 3.000 . 3.500 3.626 3.553 3.687 0.187 33 0 "[ . 1 . 2 . 3 . ]" 1
229 1 33 ALA H 1 34 LYS H 2.500 . 2.900 2.743 2.659 2.818 . 0 0 "[ . 1 . 2 . 3 . ]" 1
230 1 33 ALA MB 1 34 LYS H 2.500 . 3.400 2.460 2.365 2.542 . 0 0 "[ . 1 . 2 . 3 . ]" 1
231 1 33 ALA HA 1 34 LYS H 4.000 . 5.000 3.592 3.566 3.625 . 0 0 "[ . 1 . 2 . 3 . ]" 1
232 1 33 ALA H 1 35 GLU H 4.000 . 5.000 4.126 4.049 4.211 . 0 0 "[ . 1 . 2 . 3 . ]" 1
233 1 33 ALA HA 1 36 ILE H 3.000 . 3.500 3.546 3.495 3.623 0.123 4 0 "[ . 1 . 2 . 3 . ]" 1
234 1 33 ALA HA 1 37 VAL H 4.000 . 5.000 4.808 4.662 4.889 . 0 0 "[ . 1 . 2 . 3 . ]" 1
235 1 34 LYS QG 1 35 GLU H 4.000 . 5.000 4.207 4.080 4.261 . 0 0 "[ . 1 . 2 . 3 . ]" 1
236 1 34 LYS H 1 35 GLU H 2.500 . 2.900 2.720 2.654 2.769 . 0 0 "[ . 1 . 2 . 3 . ]" 1
237 1 34 LYS QB 1 35 GLU H 2.500 . 2.900 2.710 2.577 2.810 . 0 0 "[ . 1 . 2 . 3 . ]" 1
238 1 34 LYS HA 1 37 VAL H 3.000 . 3.500 3.379 3.243 3.524 0.024 15 0 "[ . 1 . 2 . 3 . ]" 1
239 1 34 LYS H 1 37 VAL QG 4.000 . 5.500 4.673 4.496 4.832 . 0 0 "[ . 1 . 2 . 3 . ]" 1
240 1 34 LYS HA 1 38 ALA H 4.000 . 5.000 4.447 4.204 4.634 . 0 0 "[ . 1 . 2 . 3 . ]" 1
241 1 35 GLU HA 1 36 ILE H 4.000 . 5.000 3.564 3.532 3.591 . 0 0 "[ . 1 . 2 . 3 . ]" 1
242 1 35 GLU QB 1 36 ILE H 3.000 . 3.500 2.630 2.579 2.678 . 0 0 "[ . 1 . 2 . 3 . ]" 1
243 1 35 GLU H 1 36 ILE H 2.500 . 2.900 2.760 2.685 2.834 . 0 0 "[ . 1 . 2 . 3 . ]" 1
244 1 35 GLU HA 1 37 VAL H 4.000 . 5.000 4.264 4.196 4.401 . 0 0 "[ . 1 . 2 . 3 . ]" 1
245 1 35 GLU H 1 37 VAL H 4.000 . 5.000 4.241 4.162 4.338 . 0 0 "[ . 1 . 2 . 3 . ]" 1
246 1 35 GLU HA 1 38 ALA H 3.000 . 3.500 3.184 3.033 3.314 . 0 0 "[ . 1 . 2 . 3 . ]" 1
247 1 35 GLU H 1 38 ALA H 4.000 . 5.000 4.793 4.603 4.920 . 0 0 "[ . 1 . 2 . 3 . ]" 1
248 1 35 GLU HA 1 39 SER H 4.000 . 5.000 4.465 4.228 4.643 . 0 0 "[ . 1 . 2 . 3 . ]" 1
249 1 36 ILE H 1 37 VAL H 2.500 . 3.000 2.696 2.640 2.752 . 0 0 "[ . 1 . 2 . 3 . ]" 1
250 1 36 ILE QG 1 37 VAL H 4.000 . 5.000 3.977 3.805 4.098 . 0 0 "[ . 1 . 2 . 3 . ]" 1
251 1 36 ILE MG 1 37 VAL H 4.000 . 5.500 3.498 3.384 3.620 . 0 0 "[ . 1 . 2 . 3 . ]" 1
252 1 36 ILE MD 1 37 VAL H 4.000 . 5.500 4.561 4.459 4.633 . 0 0 "[ . 1 . 2 . 3 . ]" 1
253 1 36 ILE HB 1 37 VAL H 2.500 . 2.900 2.632 2.502 2.690 . 0 0 "[ . 1 . 2 . 3 . ]" 1
254 1 36 ILE HA 1 37 VAL H 3.000 . 3.500 3.545 3.530 3.561 0.061 26 0 "[ . 1 . 2 . 3 . ]" 1
255 1 36 ILE H 1 37 VAL QG 4.000 . 5.500 4.084 3.975 4.222 . 0 0 "[ . 1 . 2 . 3 . ]" 1
256 1 36 ILE HB 1 38 ALA H 4.000 . 5.000 4.994 4.888 5.035 0.035 33 0 "[ . 1 . 2 . 3 . ]" 1
257 1 36 ILE HA 1 38 ALA H 4.000 . 5.000 4.299 4.241 4.381 . 0 0 "[ . 1 . 2 . 3 . ]" 1
258 1 36 ILE H 1 38 ALA H 4.000 . 5.000 4.094 4.015 4.171 . 0 0 "[ . 1 . 2 . 3 . ]" 1
259 1 36 ILE H 1 38 ALA MB 4.000 . 5.500 4.745 4.590 4.824 . 0 0 "[ . 1 . 2 . 3 . ]" 1
260 1 36 ILE HA 1 39 SER H 3.000 . 3.500 3.328 3.226 3.476 . 0 0 "[ . 1 . 2 . 3 . ]" 1
261 1 37 VAL H 1 38 ALA H 2.500 . 2.900 2.627 2.564 2.677 . 0 0 "[ . 1 . 2 . 3 . ]" 1
262 1 37 VAL HB 1 38 ALA H 2.500 . 2.900 2.617 2.554 2.678 . 0 0 "[ . 1 . 2 . 3 . ]" 1
263 1 37 VAL QG 1 38 ALA H 3.000 . 4.000 3.213 3.158 3.292 . 0 0 "[ . 1 . 2 . 3 . ]" 1
264 1 37 VAL HA 1 38 ALA H 3.000 . 3.500 3.534 3.520 3.548 0.048 31 0 "[ . 1 . 2 . 3 . ]" 1
265 1 37 VAL H 1 38 ALA MB 4.000 . 5.500 4.299 4.203 4.351 . 0 0 "[ . 1 . 2 . 3 . ]" 1
266 1 37 VAL HB 1 39 SER H 4.000 . 5.000 4.930 4.838 5.037 0.037 6 0 "[ . 1 . 2 . 3 . ]" 1
267 1 37 VAL HA 1 39 SER H 4.000 . 5.000 4.067 3.950 4.256 . 0 0 "[ . 1 . 2 . 3 . ]" 1
268 1 37 VAL HA 1 40 CYS H 3.000 . 3.500 3.192 3.103 3.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1
269 1 37 VAL QG 1 40 CYS H 4.000 . 5.500 4.039 3.959 4.117 . 0 0 "[ . 1 . 2 . 3 . ]" 1
270 1 38 ALA H 1 39 SER H 2.500 . 2.900 2.677 2.606 2.771 . 0 0 "[ . 1 . 2 . 3 . ]" 1
271 1 38 ALA MB 1 39 SER H 2.500 . 3.400 2.679 2.518 2.762 . 0 0 "[ . 1 . 2 . 3 . ]" 1
272 1 38 ALA MB 1 40 CYS H 4.000 . 5.500 4.448 4.296 4.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1
273 1 38 ALA HA 1 40 CYS H 4.000 . 5.000 4.202 4.068 4.352 . 0 0 "[ . 1 . 2 . 3 . ]" 1
274 1 38 ALA H 1 40 CYS H 4.000 . 5.000 4.062 3.985 4.137 . 0 0 "[ . 1 . 2 . 3 . ]" 1
275 1 39 SER H 1 39 SER QB 3.000 . 3.500 2.477 2.408 2.576 . 0 0 "[ . 1 . 2 . 3 . ]" 1
276 1 39 SER QB 1 40 CYS H 2.500 . 2.900 2.843 2.689 2.973 0.073 2 0 "[ . 1 . 2 . 3 . ]" 1
277 1 39 SER HA 1 40 CYS H 3.000 . 3.500 3.499 3.460 3.529 0.029 36 0 "[ . 1 . 2 . 3 . ]" 1
278 1 39 SER H 1 40 CYS H 2.500 . 2.900 2.452 2.394 2.509 . 0 0 "[ . 1 . 2 . 3 . ]" 1
279 1 39 SER H 1 40 CYS QB 4.000 . 5.000 4.278 4.225 4.342 . 0 0 "[ . 1 . 2 . 3 . ]" 1
280 1 40 CYS HA 1 41 ASP H 2.500 . 2.900 2.213 2.175 2.249 . 0 0 "[ . 1 . 2 . 3 . ]" 1
281 1 40 CYS QB 1 41 ASP H 4.000 . 5.000 3.974 3.948 4.001 . 0 0 "[ . 1 . 2 . 3 . ]" 1
282 1 40 CYS H 1 41 ASP H 4.000 . 5.000 4.295 4.227 4.367 . 0 0 "[ . 1 . 2 . 3 . ]" 1
283 1 40 CYS HA 1 42 LYS H 4.000 . 5.000 3.590 3.513 3.684 . 0 0 "[ . 1 . 2 . 3 . ]" 1
284 1 40 CYS H 1 42 LYS H 4.000 . 6.000 5.635 5.563 5.695 . 0 0 "[ . 1 . 2 . 3 . ]" 1
285 1 40 CYS QB 1 43 CYS H 4.000 . 5.000 3.079 2.956 3.697 . 0 0 "[ . 1 . 2 . 3 . ]" 1
286 1 41 ASP H 1 42 LYS H 2.500 . 2.900 2.717 2.603 2.752 . 0 0 "[ . 1 . 2 . 3 . ]" 1
287 1 41 ASP QB 1 42 LYS H 2.500 . 2.900 2.799 2.736 2.877 . 0 0 "[ . 1 . 2 . 3 . ]" 1
288 1 41 ASP HA 1 42 LYS H 3.000 . 3.500 3.524 3.491 3.538 0.038 2 0 "[ . 1 . 2 . 3 . ]" 1
289 1 41 ASP HA 1 43 CYS H 4.000 . 5.000 4.447 3.319 4.641 . 0 0 "[ . 1 . 2 . 3 . ]" 1
290 1 41 ASP HA 1 44 GLN H 4.000 . 5.000 3.433 3.132 4.075 . 0 0 "[ . 1 . 2 . 3 . ]" 1
291 1 42 LYS QB 1 43 CYS H 3.000 . 3.500 2.620 2.516 3.535 0.035 29 0 "[ . 1 . 2 . 3 . ]" 1
292 1 42 LYS QG 1 43 CYS H 4.000 . 5.000 4.066 4.001 4.326 . 0 0 "[ . 1 . 2 . 3 . ]" 1
293 1 42 LYS H 1 43 CYS H 2.500 . 2.900 2.686 2.630 2.742 . 0 0 "[ . 1 . 2 . 3 . ]" 1
294 1 43 CYS HA 1 44 GLN H 3.000 . 3.500 3.493 3.426 3.601 0.101 6 0 "[ . 1 . 2 . 3 . ]" 1
295 1 43 CYS H 1 44 GLN H 2.500 . 2.900 2.357 1.777 2.688 0.023 29 0 "[ . 1 . 2 . 3 . ]" 1
296 1 43 CYS QB 1 44 GLN H 2.500 . 2.900 2.881 2.341 3.078 0.178 33 0 "[ . 1 . 2 . 3 . ]" 1
297 1 43 CYS H 1 45 LEU H 4.000 . 5.000 4.649 3.131 5.011 0.011 11 0 "[ . 1 . 2 . 3 . ]" 1
298 1 44 GLN H 1 45 LEU H 3.000 . 3.500 2.877 2.577 3.079 . 0 0 "[ . 1 . 2 . 3 . ]" 1
299 1 44 GLN HA 1 45 LEU H 3.000 . 3.500 3.576 3.534 3.603 0.103 10 0 "[ . 1 . 2 . 3 . ]" 1
300 1 44 GLN H 1 45 LEU HG 4.000 . 5.000 4.715 4.356 4.921 . 0 0 "[ . 1 . 2 . 3 . ]" 1
301 1 44 GLN H 1 45 LEU QD 4.000 . 6.500 4.932 4.728 5.074 . 0 0 "[ . 1 . 2 . 3 . ]" 1
302 1 45 LEU HA 1 46 LYS H 2.500 . 2.900 2.421 2.180 3.102 0.202 15 0 "[ . 1 . 2 . 3 . ]" 1
303 1 45 LEU QB 1 46 LYS H 3.000 . 3.500 3.643 3.498 3.882 0.382 30 0 "[ . 1 . 2 . 3 . ]" 1
304 1 45 LEU QD 1 46 LYS H 4.000 . 5.500 3.979 3.722 4.348 . 0 0 "[ . 1 . 2 . 3 . ]" 1
305 1 46 LYS H 1 46 LYS HA 2.500 . 2.900 2.953 2.920 2.985 0.085 1 0 "[ . 1 . 2 . 3 . ]" 1
306 1 46 LYS HA 1 47 GLY H 4.000 . 5.000 2.866 2.164 3.577 . 0 0 "[ . 1 . 2 . 3 . ]" 1
307 1 48 GLU QB 1 49 ALA H 4.000 . 5.000 3.177 1.756 3.893 0.044 8 0 "[ . 1 . 2 . 3 . ]" 1
308 1 49 ALA H 1 49 ALA MB 3.000 . 4.000 2.436 2.138 2.912 . 0 0 "[ . 1 . 2 . 3 . ]" 1
309 1 49 ALA HA 1 50 MET H 3.000 . 3.500 2.789 2.188 3.574 0.074 4 0 "[ . 1 . 2 . 3 . ]" 1
310 1 49 ALA MB 1 50 MET H 4.000 . 5.500 2.773 1.726 3.751 0.074 17 0 "[ . 1 . 2 . 3 . ]" 1
311 1 53 GLN HA 1 54 VAL H 2.500 . 2.900 2.656 2.156 3.163 0.263 24 0 "[ . 1 . 2 . 3 . ]" 1
312 1 54 VAL H 1 54 VAL MG2 3.000 . 4.000 2.671 2.107 3.977 . 0 0 "[ . 1 . 2 . 3 . ]" 1
313 1 54 VAL HA 1 55 ASP H 2.500 . 2.900 2.651 2.127 3.227 0.327 34 0 "[ . 1 . 2 . 3 . ]" 1
314 1 54 VAL HB 1 55 ASP H 3.000 . 3.500 3.226 1.797 3.709 0.209 3 0 "[ . 1 . 2 . 3 . ]" 1
315 1 55 ASP H 1 55 ASP HB3 3.000 . 3.500 3.064 2.510 3.801 0.301 17 0 "[ . 1 . 2 . 3 . ]" 1
316 2 2 LEU H 2 2 LEU QB 3.000 . 3.500 2.573 2.505 2.612 . 0 0 "[ . 1 . 2 . 3 . ]" 1
317 2 2 LEU QB 2 3 ASP H 3.000 . 3.500 2.670 2.443 3.053 . 0 0 "[ . 1 . 2 . 3 . ]" 1
318 2 2 LEU QD 2 3 ASP H 4.000 . 5.500 4.046 3.942 4.196 . 0 0 "[ . 1 . 2 . 3 . ]" 1
319 2 2 LEU HA 2 3 ASP H 3.000 . 3.500 3.547 3.455 3.581 0.081 25 0 "[ . 1 . 2 . 3 . ]" 1
320 2 2 LEU HA 2 5 ILE H 4.000 . 5.000 3.749 3.532 4.003 . 0 0 "[ . 1 . 2 . 3 . ]" 1
321 2 3 ASP H 2 4 GLY H 3.000 . 3.500 2.843 2.717 2.970 . 0 0 "[ . 1 . 2 . 3 . ]" 1
322 2 3 ASP QB 2 4 GLY H 2.500 . 2.900 2.453 2.008 3.025 0.125 38 0 "[ . 1 . 2 . 3 . ]" 1
323 2 3 ASP HA 2 4 GLY H 3.000 . 3.500 3.575 3.555 3.593 0.093 34 0 "[ . 1 . 2 . 3 . ]" 1
324 2 3 ASP HA 2 5 ILE H 4.000 . 5.000 4.720 4.591 4.910 . 0 0 "[ . 1 . 2 . 3 . ]" 1
325 2 3 ASP HA 2 6 ASP H 4.000 . 5.000 3.735 3.585 3.851 . 0 0 "[ . 1 . 2 . 3 . ]" 1
326 2 3 ASP HA 2 7 LYS H 4.000 . 6.000 4.691 4.554 4.833 . 0 0 "[ . 1 . 2 . 3 . ]" 1
327 2 4 GLY H 2 5 ILE H 2.500 . 2.900 2.679 2.553 2.796 . 0 0 "[ . 1 . 2 . 3 . ]" 1
328 2 4 GLY QA 2 5 ILE H 3.000 . 3.500 2.685 2.621 2.738 . 0 0 "[ . 1 . 2 . 3 . ]" 1
329 2 4 GLY QA 2 6 ASP H 4.000 . 5.000 4.024 3.964 4.069 . 0 0 "[ . 1 . 2 . 3 . ]" 1
330 2 4 GLY QA 2 7 LYS H 4.000 . 5.000 3.532 3.416 3.636 . 0 0 "[ . 1 . 2 . 3 . ]" 1
331 2 4 GLY QA 2 8 ALA H 4.000 . 5.000 3.951 3.757 4.172 . 0 0 "[ . 1 . 2 . 3 . ]" 1
332 2 5 ILE H 2 6 ASP H 2.500 . 2.900 2.779 2.731 2.831 . 0 0 "[ . 1 . 2 . 3 . ]" 1
333 2 5 ILE QG 2 6 ASP H 4.000 . 5.000 4.154 4.062 4.242 . 0 0 "[ . 1 . 2 . 3 . ]" 1
334 2 5 ILE HB 2 6 ASP H 3.000 . 3.500 2.694 2.618 2.778 . 0 0 "[ . 1 . 2 . 3 . ]" 1
335 2 5 ILE MG 2 6 ASP H 2.500 . 3.400 3.360 3.283 3.406 0.006 1 0 "[ . 1 . 2 . 3 . ]" 1
336 2 5 ILE HA 2 6 ASP H 4.000 . 5.000 3.567 3.547 3.587 . 0 0 "[ . 1 . 2 . 3 . ]" 1
337 2 5 ILE H 2 6 ASP QB 4.000 . 5.000 4.648 4.469 4.837 . 0 0 "[ . 1 . 2 . 3 . ]" 1
338 2 5 ILE HA 2 7 LYS H 4.000 . 6.000 4.408 4.211 4.532 . 0 0 "[ . 1 . 2 . 3 . ]" 1
339 2 5 ILE HA 2 8 ALA H 3.000 . 3.500 3.199 3.107 3.305 . 0 0 "[ . 1 . 2 . 3 . ]" 1
340 2 5 ILE QG 2 8 ALA H 4.000 . 5.000 5.066 5.010 5.145 0.145 18 0 "[ . 1 . 2 . 3 . ]" 1
341 2 5 ILE MD 2 9 GLN H 4.000 . 6.500 6.034 5.846 6.175 . 0 0 "[ . 1 . 2 . 3 . ]" 1
342 2 5 ILE HA 2 9 GLN H 4.000 . 5.000 3.416 3.236 3.501 . 0 0 "[ . 1 . 2 . 3 . ]" 1
343 2 6 ASP QB 2 7 LYS H 2.500 . 2.900 2.438 2.356 2.532 . 0 0 "[ . 1 . 2 . 3 . ]" 1
344 2 6 ASP H 2 7 LYS H 2.500 . 2.900 2.836 2.760 2.906 0.006 29 0 "[ . 1 . 2 . 3 . ]" 1
345 2 6 ASP HA 2 7 LYS H 3.000 . 3.500 3.572 3.552 3.588 0.088 6 0 "[ . 1 . 2 . 3 . ]" 1
346 2 6 ASP HA 2 8 ALA H 4.000 . 5.000 4.623 4.526 4.757 . 0 0 "[ . 1 . 2 . 3 . ]" 1
347 2 6 ASP H 2 8 ALA H 4.000 . 5.000 4.134 4.029 4.271 . 0 0 "[ . 1 . 2 . 3 . ]" 1
348 2 6 ASP H 2 8 ALA MB 4.000 . 6.500 4.791 4.695 4.899 . 0 0 "[ . 1 . 2 . 3 . ]" 1
349 2 6 ASP HA 2 9 GLN H 3.000 . 3.500 3.545 3.472 3.620 0.120 7 0 "[ . 1 . 2 . 3 . ]" 1
350 2 6 ASP QB 2 8 ALA H 4.000 . 5.000 4.645 4.544 4.776 . 0 0 "[ . 1 . 2 . 3 . ]" 1
351 2 6 ASP HA 2 10 GLU H 4.000 . 5.000 4.455 4.304 4.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1
352 2 7 LYS H 2 7 LYS QB 3.000 . 3.500 2.412 2.208 2.506 . 0 0 "[ . 1 . 2 . 3 . ]" 1
353 2 7 LYS HA 2 8 ALA H 3.000 . 3.500 3.553 3.536 3.569 0.069 18 0 "[ . 1 . 2 . 3 . ]" 1
354 2 7 LYS H 2 8 ALA H 2.500 . 2.900 2.597 2.549 2.656 . 0 0 "[ . 1 . 2 . 3 . ]" 1
355 2 7 LYS QB 2 8 ALA H 2.500 . 2.900 2.487 2.366 2.593 . 0 0 "[ . 1 . 2 . 3 . ]" 1
356 2 7 LYS QB 2 9 GLN H 4.000 . 6.000 4.605 4.517 4.705 . 0 0 "[ . 1 . 2 . 3 . ]" 1
357 2 7 LYS HA 2 9 GLN H 4.000 . 5.000 4.342 4.253 4.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1
358 2 7 LYS H 2 9 GLN H 4.000 . 5.000 3.958 3.862 4.068 . 0 0 "[ . 1 . 2 . 3 . ]" 1
359 2 7 LYS HA 2 10 GLU H 3.000 . 3.500 3.615 3.546 3.651 0.151 14 0 "[ . 1 . 2 . 3 . ]" 1
360 2 7 LYS HA 2 11 GLU H 4.000 . 5.000 4.796 4.720 4.944 . 0 0 "[ . 1 . 2 . 3 . ]" 1
361 2 8 ALA H 2 9 GLN H 2.500 . 2.900 2.618 2.575 2.721 . 0 0 "[ . 1 . 2 . 3 . ]" 1
362 2 8 ALA H 2 9 GLN QB 4.000 . 6.000 4.394 4.330 4.509 . 0 0 "[ . 1 . 2 . 3 . ]" 1
363 2 8 ALA H 2 9 GLN HA 4.000 . 6.000 5.254 5.222 5.333 . 0 0 "[ . 1 . 2 . 3 . ]" 1
364 2 8 ALA MB 2 9 GLN H 2.500 . 3.400 2.628 2.495 2.702 . 0 0 "[ . 1 . 2 . 3 . ]" 1
365 2 8 ALA HA 2 9 GLN H 3.000 . 3.500 3.533 3.502 3.550 0.050 31 0 "[ . 1 . 2 . 3 . ]" 1
366 2 8 ALA MB 2 10 GLU H 4.000 . 6.500 4.567 4.513 4.611 . 0 0 "[ . 1 . 2 . 3 . ]" 1
367 2 8 ALA H 2 10 GLU H 4.000 . 5.000 4.277 4.174 4.357 . 0 0 "[ . 1 . 2 . 3 . ]" 1
368 2 8 ALA HA 2 11 GLU H 3.000 . 3.500 3.225 3.172 3.335 . 0 0 "[ . 1 . 2 . 3 . ]" 1
369 2 8 ALA H 2 26 PHE QE 4.000 . 5.000 4.044 3.852 4.294 . 0 0 "[ . 1 . 2 . 3 . ]" 1
370 2 8 ALA MB 2 26 PHE H 4.000 . 6.500 5.015 4.879 5.167 . 0 0 "[ . 1 . 2 . 3 . ]" 1
371 2 8 ALA H 2 28 LEU QD 4.000 . 6.500 4.980 4.752 5.289 . 0 0 "[ . 1 . 2 . 3 . ]" 1
372 2 9 GLN H 2 10 GLU H 2.500 . 2.900 2.772 2.715 2.837 . 0 0 "[ . 1 . 2 . 3 . ]" 1
373 2 9 GLN QB 2 10 GLU H 2.500 . 2.900 2.555 2.508 2.601 . 0 0 "[ . 1 . 2 . 3 . ]" 1
374 2 9 GLN HA 2 10 GLU H 3.000 . 3.500 3.562 3.544 3.578 0.078 25 0 "[ . 1 . 2 . 3 . ]" 1
375 2 9 GLN H 2 11 GLU H 4.000 . 5.000 4.214 4.144 4.301 . 0 0 "[ . 1 . 2 . 3 . ]" 1
376 2 9 GLN HA 2 11 GLU H 4.000 . 6.000 4.367 4.282 4.486 . 0 0 "[ . 1 . 2 . 3 . ]" 1
377 2 9 GLN HA 2 12 HIS H 4.000 . 5.000 3.303 3.230 3.481 . 0 0 "[ . 1 . 2 . 3 . ]" 1
378 2 9 GLN HA 2 13 GLU H 4.000 . 5.000 4.222 4.033 4.401 . 0 0 "[ . 1 . 2 . 3 . ]" 1
379 2 9 GLN H 2 36 ILE QG 4.000 . 5.500 4.817 4.596 5.063 . 0 0 "[ . 1 . 2 . 3 . ]" 1
380 2 9 GLN H 2 36 ILE MG 4.000 . 5.500 4.439 4.203 4.703 . 0 0 "[ . 1 . 2 . 3 . ]" 1
381 2 9 GLN H 2 36 ILE MD 3.000 . 4.000 3.345 3.122 3.598 . 0 0 "[ . 1 . 2 . 3 . ]" 1
382 2 10 GLU H 2 11 GLU H 2.500 . 2.900 2.695 2.659 2.751 . 0 0 "[ . 1 . 2 . 3 . ]" 1
383 2 10 GLU QB 2 11 GLU H 2.500 . 2.900 2.521 2.429 2.576 . 0 0 "[ . 1 . 2 . 3 . ]" 1
384 2 10 GLU QG 2 11 GLU H 4.000 . 5.000 3.776 3.640 3.852 . 0 0 "[ . 1 . 2 . 3 . ]" 1
385 2 10 GLU H 2 11 GLU HA 4.000 . 6.000 5.350 5.323 5.392 . 0 0 "[ . 1 . 2 . 3 . ]" 1
386 2 10 GLU HA 2 12 HIS H 4.000 . 5.000 4.346 4.248 4.532 . 0 0 "[ . 1 . 2 . 3 . ]" 1
387 2 10 GLU H 2 12 HIS H 4.000 . 5.000 4.136 4.050 4.232 . 0 0 "[ . 1 . 2 . 3 . ]" 1
388 2 10 GLU HA 2 13 GLU H 3.000 . 3.500 3.404 3.305 3.474 . 0 0 "[ . 1 . 2 . 3 . ]" 1
389 2 11 GLU QB 2 12 HIS H 3.000 . 3.500 2.543 2.422 2.606 . 0 0 "[ . 1 . 2 . 3 . ]" 1
390 2 11 GLU H 2 12 HIS H 2.500 . 2.900 2.696 2.637 2.760 . 0 0 "[ . 1 . 2 . 3 . ]" 1
391 2 11 GLU HA 2 12 HIS H 3.000 . 3.500 3.552 3.536 3.565 0.065 20 0 "[ . 1 . 2 . 3 . ]" 1
392 2 11 GLU H 2 12 HIS QB 4.000 . 6.000 4.508 4.430 4.598 . 0 0 "[ . 1 . 2 . 3 . ]" 1
393 2 11 GLU H 2 13 GLU H 4.000 . 5.000 4.290 4.207 4.341 . 0 0 "[ . 1 . 2 . 3 . ]" 1
394 2 11 GLU HA 2 13 GLU H 4.000 . 5.000 4.535 4.326 4.630 . 0 0 "[ . 1 . 2 . 3 . ]" 1
395 2 11 GLU HA 2 14 LYS H 4.000 . 5.000 3.515 3.358 3.619 . 0 0 "[ . 1 . 2 . 3 . ]" 1
396 2 11 GLU H 2 26 PHE QE 4.000 . 5.000 4.658 4.482 4.792 . 0 0 "[ . 1 . 2 . 3 . ]" 1
397 2 11 GLU HA 2 15 TYR H 4.000 . 5.000 4.483 4.334 4.618 . 0 0 "[ . 1 . 2 . 3 . ]" 1
398 2 12 HIS H 2 12 HIS QB 3.000 . 3.500 2.310 2.292 2.335 . 0 0 "[ . 1 . 2 . 3 . ]" 1
399 2 12 HIS QB 2 13 GLU H 3.000 . 3.500 2.432 2.343 2.551 . 0 0 "[ . 1 . 2 . 3 . ]" 1
400 2 12 HIS H 2 13 GLU H 2.500 . 2.900 2.754 2.689 2.797 . 0 0 "[ . 1 . 2 . 3 . ]" 1
401 2 12 HIS HA 2 13 GLU H 3.000 . 3.500 3.559 3.535 3.575 0.075 25 0 "[ . 1 . 2 . 3 . ]" 1
402 2 12 HIS H 2 14 LYS H 4.000 . 5.000 4.234 4.127 4.386 . 0 0 "[ . 1 . 2 . 3 . ]" 1
403 2 12 HIS HA 2 15 TYR H 4.000 . 5.000 3.620 3.556 3.685 . 0 0 "[ . 1 . 2 . 3 . ]" 1
404 2 12 HIS HA 2 16 HIS H 3.000 . 3.500 3.155 3.028 3.242 . 0 0 "[ . 1 . 2 . 3 . ]" 1
405 2 12 HIS HA 2 17 SER H 3.000 . 3.500 2.600 2.455 2.761 . 0 0 "[ . 1 . 2 . 3 . ]" 1
406 2 12 HIS H 2 36 ILE MG 4.000 . 6.500 4.101 3.834 4.275 . 0 0 "[ . 1 . 2 . 3 . ]" 1
407 2 13 GLU H 2 14 LYS H 2.500 . 2.900 2.761 2.712 2.815 . 0 0 "[ . 1 . 2 . 3 . ]" 1
408 2 13 GLU HA 2 14 LYS H 4.000 . 5.000 3.552 3.534 3.577 . 0 0 "[ . 1 . 2 . 3 . ]" 1
409 2 13 GLU QB 2 14 LYS H 2.500 . 2.900 2.485 2.399 2.595 . 0 0 "[ . 1 . 2 . 3 . ]" 1
410 2 13 GLU H 2 14 LYS QB 4.000 . 6.000 4.726 4.658 4.793 . 0 0 "[ . 1 . 2 . 3 . ]" 1
411 2 13 GLU H 2 15 TYR H 4.000 . 5.000 4.339 4.274 4.422 . 0 0 "[ . 1 . 2 . 3 . ]" 1
412 2 13 GLU HA 2 15 TYR H 4.000 . 5.000 4.348 4.222 4.552 . 0 0 "[ . 1 . 2 . 3 . ]" 1
413 2 13 GLU HA 2 16 HIS H 4.000 . 5.000 3.810 3.736 3.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1
414 2 13 GLU H 2 36 ILE MG 4.000 . 6.500 4.820 4.697 4.941 . 0 0 "[ . 1 . 2 . 3 . ]" 1
415 2 14 LYS HA 2 15 TYR H 3.000 . 3.500 3.568 3.550 3.582 0.082 35 0 "[ . 1 . 2 . 3 . ]" 1
416 2 14 LYS QB 2 15 TYR H 2.500 . 2.900 2.783 2.621 2.882 . 0 0 "[ . 1 . 2 . 3 . ]" 1
417 2 14 LYS QB 2 16 HIS H 4.000 . 6.000 4.526 4.443 4.602 . 0 0 "[ . 1 . 2 . 3 . ]" 1
418 2 14 LYS H 2 15 TYR H 2.500 . 2.900 2.850 2.804 2.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1
419 2 14 LYS H 2 15 TYR QD 4.000 . 6.000 4.192 4.060 4.321 . 0 0 "[ . 1 . 2 . 3 . ]" 1
420 2 14 LYS H 2 16 HIS H 4.000 . 5.000 4.050 3.990 4.117 . 0 0 "[ . 1 . 2 . 3 . ]" 1
421 2 15 TYR QD 2 16 HIS H 4.000 . 5.000 4.237 4.078 4.427 . 0 0 "[ . 1 . 2 . 3 . ]" 1
422 2 15 TYR QB 2 16 HIS H 4.000 . 5.000 3.298 3.201 3.386 . 0 0 "[ . 1 . 2 . 3 . ]" 1
423 2 15 TYR H 2 16 HIS H 2.500 . 2.900 1.953 1.858 2.101 . 0 0 "[ . 1 . 2 . 3 . ]" 1
424 2 15 TYR QB 2 17 SER H 4.000 . 6.000 2.875 2.727 3.110 . 0 0 "[ . 1 . 2 . 3 . ]" 1
425 2 16 HIS H 2 16 HIS HA 2.500 . 2.900 2.346 2.334 2.359 . 0 0 "[ . 1 . 2 . 3 . ]" 1
426 2 16 HIS H 2 16 HIS QB 3.000 . 3.500 3.328 3.294 3.363 . 0 0 "[ . 1 . 2 . 3 . ]" 1
427 2 16 HIS H 2 17 SER H 4.000 . 5.000 2.691 2.644 2.755 . 0 0 "[ . 1 . 2 . 3 . ]" 1
428 2 16 HIS H 2 17 SER HA 4.000 . 5.000 5.101 5.069 5.132 0.132 34 0 "[ . 1 . 2 . 3 . ]" 1
429 2 16 HIS HA 2 17 SER H 4.000 . 5.000 2.767 2.695 2.821 . 0 0 "[ . 1 . 2 . 3 . ]" 1
430 2 17 SER HA 2 18 ASN H 2.500 . 2.900 2.355 2.324 2.413 . 0 0 "[ . 1 . 2 . 3 . ]" 1
431 2 17 SER QB 2 18 ASN H 2.500 . 2.900 2.648 2.547 2.740 . 0 0 "[ . 1 . 2 . 3 . ]" 1
432 2 17 SER QB 2 20 ARG H 4.000 . 6.000 6.080 5.918 6.156 0.156 4 0 "[ . 1 . 2 . 3 . ]" 1
433 2 18 ASN H 2 18 ASN QD 4.000 . 5.000 3.443 2.479 3.827 . 0 0 "[ . 1 . 2 . 3 . ]" 1
434 2 18 ASN QB 2 19 TRP H 2.500 . 2.900 2.601 2.450 2.787 . 0 0 "[ . 1 . 2 . 3 . ]" 1
435 2 18 ASN HA 2 19 TRP H 2.500 . 2.900 2.387 2.319 2.434 . 0 0 "[ . 1 . 2 . 3 . ]" 1
436 2 18 ASN H 2 19 TRP H 4.000 . 5.000 4.668 4.647 4.691 . 0 0 "[ . 1 . 2 . 3 . ]" 1
437 2 18 ASN QB 2 20 ARG H 4.000 . 5.000 2.607 2.455 2.677 . 0 0 "[ . 1 . 2 . 3 . ]" 1
438 2 18 ASN HA 2 20 ARG H 4.000 . 5.000 4.182 4.048 4.253 . 0 0 "[ . 1 . 2 . 3 . ]" 1
439 2 18 ASN HB3 2 21 ALA H 4.000 . 6.000 3.953 3.828 4.131 . 0 0 "[ . 1 . 2 . 3 . ]" 1
440 2 18 ASN H 2 21 ALA MB 2.500 . 3.400 2.848 2.710 2.996 . 0 0 "[ . 1 . 2 . 3 . ]" 1
441 2 19 TRP H 2 19 TRP HD1 2.500 . 2.900 2.578 2.400 2.765 . 0 0 "[ . 1 . 2 . 3 . ]" 1
442 2 19 TRP QB 2 20 ARG H 4.000 . 5.000 3.580 3.530 3.630 . 0 0 "[ . 1 . 2 . 3 . ]" 1
443 2 19 TRP H 2 20 ARG H 3.000 . 3.500 2.772 2.714 2.882 . 0 0 "[ . 1 . 2 . 3 . ]" 1
444 2 19 TRP HA 2 20 ARG H 4.000 . 5.000 3.517 3.492 3.543 . 0 0 "[ . 1 . 2 . 3 . ]" 1
445 2 19 TRP HA 2 21 ALA H 4.000 . 6.000 4.269 4.201 4.410 . 0 0 "[ . 1 . 2 . 3 . ]" 1
446 2 19 TRP HA 2 22 MET H 3.000 . 3.500 3.390 3.223 3.483 . 0 0 "[ . 1 . 2 . 3 . ]" 1
447 2 19 TRP HA 2 23 ALA H 4.000 . 5.000 3.734 3.503 3.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1
448 2 19 TRP HE3 2 23 ALA H 4.000 . 5.000 3.837 3.605 4.022 . 0 0 "[ . 1 . 2 . 3 . ]" 1
449 2 19 TRP QB 2 33 ALA H 4.000 . 5.000 4.481 4.389 4.591 . 0 0 "[ . 1 . 2 . 3 . ]" 1
450 2 19 TRP QB 2 34 LYS H 4.000 . 5.000 2.971 2.867 3.130 . 0 0 "[ . 1 . 2 . 3 . ]" 1
451 2 19 TRP H 2 37 VAL QG 2.500 . 3.400 2.623 2.277 2.856 . 0 0 "[ . 1 . 2 . 3 . ]" 1
452 2 20 ARG QG 2 21 ALA H 4.000 . 5.000 4.047 3.869 4.141 . 0 0 "[ . 1 . 2 . 3 . ]" 1
453 2 20 ARG H 2 21 ALA H 2.500 . 2.900 2.701 2.656 2.760 . 0 0 "[ . 1 . 2 . 3 . ]" 1
454 2 20 ARG QB 2 21 ALA H 3.000 . 3.500 2.550 2.470 2.615 . 0 0 "[ . 1 . 2 . 3 . ]" 1
455 2 20 ARG HA 2 21 ALA H 3.000 . 3.500 3.546 3.529 3.571 0.071 31 0 "[ . 1 . 2 . 3 . ]" 1
456 2 20 ARG H 2 22 MET H 4.000 . 5.000 4.325 4.180 4.417 . 0 0 "[ . 1 . 2 . 3 . ]" 1
457 2 20 ARG HA 2 22 MET H 4.000 . 5.000 4.752 4.648 4.815 . 0 0 "[ . 1 . 2 . 3 . ]" 1
458 2 20 ARG HA 2 23 ALA H 3.000 . 3.500 3.630 3.578 3.716 0.216 25 0 "[ . 1 . 2 . 3 . ]" 1
459 2 20 ARG H 2 23 ALA H 4.000 . 6.000 4.666 4.547 4.752 . 0 0 "[ . 1 . 2 . 3 . ]" 1
460 2 21 ALA H 2 22 MET H 2.500 . 2.900 2.688 2.588 2.757 . 0 0 "[ . 1 . 2 . 3 . ]" 1
461 2 21 ALA MB 2 22 MET H 2.500 . 3.400 2.502 2.383 2.579 . 0 0 "[ . 1 . 2 . 3 . ]" 1
462 2 21 ALA HA 2 22 MET H 3.000 . 3.500 3.571 3.536 3.586 0.086 37 0 "[ . 1 . 2 . 3 . ]" 1
463 2 21 ALA H 2 22 MET HA 4.000 . 6.000 5.329 5.267 5.373 . 0 0 "[ . 1 . 2 . 3 . ]" 1
464 2 21 ALA H 2 23 ALA H 4.000 . 5.000 4.015 3.950 4.107 . 0 0 "[ . 1 . 2 . 3 . ]" 1
465 2 21 ALA MB 2 23 ALA H 4.000 . 5.500 4.451 4.373 4.564 . 0 0 "[ . 1 . 2 . 3 . ]" 1
466 2 21 ALA HA 2 23 ALA H 4.000 . 5.000 4.426 4.341 4.521 . 0 0 "[ . 1 . 2 . 3 . ]" 1
467 2 21 ALA HA 2 24 SER H 3.000 . 3.500 3.558 3.492 3.617 0.117 38 0 "[ . 1 . 2 . 3 . ]" 1
468 2 21 ALA MB 2 24 SER H 4.000 . 6.500 4.694 4.635 4.756 . 0 0 "[ . 1 . 2 . 3 . ]" 1
469 2 21 ALA MB 2 25 ASP H 4.000 . 5.500 4.492 4.373 4.604 . 0 0 "[ . 1 . 2 . 3 . ]" 1
470 2 21 ALA HA 2 25 ASP H 4.000 . 5.000 4.030 3.861 4.192 . 0 0 "[ . 1 . 2 . 3 . ]" 1
471 2 22 MET QG 2 23 ALA H 4.000 . 5.000 4.071 3.951 4.207 . 0 0 "[ . 1 . 2 . 3 . ]" 1
472 2 22 MET QB 2 23 ALA H 3.000 . 3.500 2.562 2.428 2.642 . 0 0 "[ . 1 . 2 . 3 . ]" 1
473 2 22 MET ME 2 23 ALA H 3.000 . 4.000 4.202 4.157 4.258 0.258 31 0 "[ . 1 . 2 . 3 . ]" 1
474 2 22 MET H 2 23 ALA H 2.500 . 2.900 2.709 2.663 2.769 . 0 0 "[ . 1 . 2 . 3 . ]" 1
475 2 22 MET HA 2 23 ALA H 3.000 . 3.500 3.552 3.538 3.577 0.077 23 0 "[ . 1 . 2 . 3 . ]" 1
476 2 22 MET HA 2 25 ASP H 3.000 . 3.500 3.269 3.146 3.336 . 0 0 "[ . 1 . 2 . 3 . ]" 1
477 2 22 MET QG 2 25 ASP H 4.000 . 6.000 5.141 4.995 5.213 . 0 0 "[ . 1 . 2 . 3 . ]" 1
478 2 22 MET H 2 33 ALA MB 4.000 . 6.500 3.988 3.801 4.358 . 0 0 "[ . 1 . 2 . 3 . ]" 1
479 2 23 ALA H 2 24 SER H 2.500 . 2.900 2.794 2.716 2.859 . 0 0 "[ . 1 . 2 . 3 . ]" 1
480 2 23 ALA H 2 24 SER QB 4.000 . 5.000 4.689 4.512 4.961 . 0 0 "[ . 1 . 2 . 3 . ]" 1
481 2 23 ALA HA 2 24 SER H 3.000 . 3.500 3.565 3.549 3.581 0.081 15 0 "[ . 1 . 2 . 3 . ]" 1
482 2 23 ALA MB 2 24 SER H 2.500 . 3.400 2.407 2.303 2.519 . 0 0 "[ . 1 . 2 . 3 . ]" 1
483 2 23 ALA H 2 26 PHE QD 4.000 . 6.000 5.273 5.162 5.534 . 0 0 "[ . 1 . 2 . 3 . ]" 1
484 2 23 ALA MB 2 27 ASN H 4.000 . 5.500 4.629 4.527 4.732 . 0 0 "[ . 1 . 2 . 3 . ]" 1
485 2 23 ALA H 2 28 LEU H 4.000 . 6.000 5.312 5.215 5.401 . 0 0 "[ . 1 . 2 . 3 . ]" 1
486 2 23 ALA H 2 28 LEU QD 4.000 . 6.500 5.864 5.609 6.102 . 0 0 "[ . 1 . 2 . 3 . ]" 1
487 2 23 ALA HA 2 28 LEU H 2.500 . 2.900 2.598 2.497 2.671 . 0 0 "[ . 1 . 2 . 3 . ]" 1
488 2 23 ALA H 2 33 ALA MB 3.000 . 4.000 2.703 2.510 2.945 . 0 0 "[ . 1 . 2 . 3 . ]" 1
489 2 23 ALA MB 2 33 ALA H 4.000 . 5.500 4.053 3.771 4.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1
490 2 24 SER HA 2 25 ASP H 3.000 . 3.500 3.541 3.527 3.552 0.052 3 0 "[ . 1 . 2 . 3 . ]" 1
491 2 24 SER QB 2 25 ASP H 2.500 . 2.900 2.646 2.548 2.762 . 0 0 "[ . 1 . 2 . 3 . ]" 1
492 2 24 SER H 2 25 ASP H 2.500 . 2.900 2.595 2.549 2.624 . 0 0 "[ . 1 . 2 . 3 . ]" 1
493 2 24 SER HA 2 26 PHE H 4.000 . 5.000 4.364 4.256 4.500 . 0 0 "[ . 1 . 2 . 3 . ]" 1
494 2 24 SER QB 2 26 PHE H 4.000 . 5.000 4.840 4.769 4.958 . 0 0 "[ . 1 . 2 . 3 . ]" 1
495 2 24 SER H 2 26 PHE H 4.000 . 5.000 4.308 4.208 4.436 . 0 0 "[ . 1 . 2 . 3 . ]" 1
496 2 24 SER HA 2 27 ASN H 4.000 . 5.000 3.152 3.095 3.270 . 0 0 "[ . 1 . 2 . 3 . ]" 1
497 2 25 ASP H 2 26 PHE H 2.500 . 2.900 2.772 2.719 2.826 . 0 0 "[ . 1 . 2 . 3 . ]" 1
498 2 25 ASP QB 2 26 PHE H 2.500 . 2.900 2.545 2.421 2.658 . 0 0 "[ . 1 . 2 . 3 . ]" 1
499 2 25 ASP HA 2 26 PHE H 3.000 . 3.500 3.556 3.536 3.576 0.076 26 0 "[ . 1 . 2 . 3 . ]" 1
500 2 25 ASP H 2 26 PHE QB 4.000 . 6.000 4.950 4.870 5.025 . 0 0 "[ . 1 . 2 . 3 . ]" 1
501 2 25 ASP H 2 27 ASN H 4.000 . 5.000 3.707 3.644 3.759 . 0 0 "[ . 1 . 2 . 3 . ]" 1
502 2 25 ASP HA 2 27 ASN H 4.000 . 5.000 4.281 4.210 4.373 . 0 0 "[ . 1 . 2 . 3 . ]" 1
503 2 26 PHE H 2 26 PHE QD 2.500 . 2.900 2.529 2.336 2.731 . 0 0 "[ . 1 . 2 . 3 . ]" 1
504 2 26 PHE H 2 27 ASN H 2.500 . 2.900 2.174 2.067 2.268 . 0 0 "[ . 1 . 2 . 3 . ]" 1
505 2 26 PHE HA 2 27 ASN H 4.000 . 5.000 3.293 3.240 3.325 . 0 0 "[ . 1 . 2 . 3 . ]" 1
506 2 26 PHE H 2 27 ASN HA 4.000 . 5.000 4.410 4.311 4.497 . 0 0 "[ . 1 . 2 . 3 . ]" 1
507 2 26 PHE H 2 28 LEU H 4.000 . 5.000 3.761 3.584 3.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1
508 2 26 PHE H 2 28 LEU QD 4.000 . 6.500 4.280 4.081 4.569 . 0 0 "[ . 1 . 2 . 3 . ]" 1
509 2 27 ASN H 2 28 LEU H 2.500 . 2.900 2.857 2.772 2.958 0.058 12 0 "[ . 1 . 2 . 3 . ]" 1
510 2 27 ASN HB2 2 28 LEU H 4.000 . 5.000 4.460 4.252 4.684 . 0 0 "[ . 1 . 2 . 3 . ]" 1
511 2 27 ASN HA 2 28 LEU H 2.500 . 2.900 2.745 2.685 2.832 . 0 0 "[ . 1 . 2 . 3 . ]" 1
512 2 27 ASN HB3 2 28 LEU H 4.000 . 5.000 4.397 4.245 4.662 . 0 0 "[ . 1 . 2 . 3 . ]" 1
513 2 28 LEU MD2 2 32 VAL H 4.000 . 6.500 5.449 5.175 5.713 . 0 0 "[ . 1 . 2 . 3 . ]" 1
514 2 28 LEU HA 2 29 PRO HD3 3.000 . 3.300 2.471 2.211 2.572 . 0 0 "[ . 1 . 2 . 3 . ]" 1
515 2 28 LEU HA 2 32 VAL H 4.000 . 6.000 6.044 5.918 6.142 0.142 4 0 "[ . 1 . 2 . 3 . ]" 1
516 2 28 LEU HA 2 29 PRO HD2 3.000 . 3.300 2.380 2.317 2.678 . 0 0 "[ . 1 . 2 . 3 . ]" 1
517 2 28 LEU H 2 33 ALA MB 4.000 . 5.500 4.625 4.419 4.776 . 0 0 "[ . 1 . 2 . 3 . ]" 1
518 2 28 LEU QB 2 33 ALA H 3.000 . 3.500 3.632 3.552 3.731 0.231 4 0 "[ . 1 . 2 . 3 . ]" 1
519 2 28 LEU QD 2 33 ALA H 4.000 . 5.500 4.481 4.377 4.568 . 0 0 "[ . 1 . 2 . 3 . ]" 1
520 2 29 PRO HA 2 30 PRO HD3 3.000 . 3.300 2.396 2.274 2.566 . 0 0 "[ . 1 . 2 . 3 . ]" 1
521 2 29 PRO HA 2 30 PRO HD2 3.000 . 3.300 2.391 2.324 2.546 . 0 0 "[ . 1 . 2 . 3 . ]" 1
522 2 29 PRO QB 2 31 VAL H 3.000 . 3.500 2.616 2.424 2.898 . 0 0 "[ . 1 . 2 . 3 . ]" 1
523 2 29 PRO QB 2 32 VAL H 3.000 . 3.500 3.447 2.693 3.654 0.154 29 0 "[ . 1 . 2 . 3 . ]" 1
524 2 30 PRO HA 2 31 VAL H 3.000 . 3.500 3.534 3.505 3.560 0.060 34 0 "[ . 1 . 2 . 3 . ]" 1
525 2 30 PRO QG 2 31 VAL H 3.000 . 3.500 3.235 2.414 3.737 0.237 37 0 "[ . 1 . 2 . 3 . ]" 1
526 2 30 PRO QB 2 31 VAL H 3.000 . 3.500 2.838 2.545 3.190 . 0 0 "[ . 1 . 2 . 3 . ]" 1
527 2 30 PRO QB 2 32 VAL H 4.000 . 5.000 5.057 4.889 5.184 0.184 21 0 "[ . 1 . 2 . 3 . ]" 1
528 2 30 PRO HA 2 33 ALA H 3.000 . 3.500 3.535 3.407 3.619 0.119 23 0 "[ . 1 . 2 . 3 . ]" 1
529 2 30 PRO HA 2 34 LYS H 4.000 . 5.000 3.294 3.126 3.439 . 0 0 "[ . 1 . 2 . 3 . ]" 1
530 2 31 VAL H 2 31 VAL HB 2.500 . 2.900 2.541 2.358 2.644 . 0 0 "[ . 1 . 2 . 3 . ]" 1
531 2 31 VAL H 2 32 VAL H 2.500 . 2.900 2.933 2.843 3.018 0.118 7 0 "[ . 1 . 2 . 3 . ]" 1
532 2 31 VAL HA 2 32 VAL H 3.000 . 3.500 3.576 3.562 3.591 0.091 38 0 "[ . 1 . 2 . 3 . ]" 1
533 2 31 VAL HA 2 33 ALA H 4.000 . 5.000 4.787 4.708 4.914 . 0 0 "[ . 1 . 2 . 3 . ]" 1
534 2 31 VAL H 2 33 ALA H 4.000 . 5.000 4.372 4.273 4.474 . 0 0 "[ . 1 . 2 . 3 . ]" 1
535 2 31 VAL HA 2 34 LYS H 3.000 . 3.500 3.733 3.670 3.879 0.379 29 0 "[ . 1 . 2 . 3 . ]" 1
536 2 31 VAL HA 2 35 GLU H 4.000 . 5.000 3.831 3.691 4.048 . 0 0 "[ . 1 . 2 . 3 . ]" 1
537 2 32 VAL HB 2 33 ALA H 2.500 . 2.900 2.439 2.365 2.517 . 0 0 "[ . 1 . 2 . 3 . ]" 1
538 2 32 VAL H 2 33 ALA H 2.500 . 2.900 2.708 2.635 2.819 . 0 0 "[ . 1 . 2 . 3 . ]" 1
539 2 32 VAL HA 2 33 ALA H 3.000 . 3.500 3.562 3.552 3.584 0.084 23 0 "[ . 1 . 2 . 3 . ]" 1
540 2 32 VAL H 2 34 LYS H 4.000 . 5.000 4.134 4.016 4.202 . 0 0 "[ . 1 . 2 . 3 . ]" 1
541 2 32 VAL QG 2 34 LYS H 4.000 . 5.000 4.699 4.622 4.765 . 0 0 "[ . 1 . 2 . 3 . ]" 1
542 2 32 VAL HB 2 34 LYS H 4.000 . 5.000 5.011 4.893 5.079 0.079 30 0 "[ . 1 . 2 . 3 . ]" 1
543 2 32 VAL HA 2 35 GLU H 3.000 . 3.500 3.624 3.571 3.669 0.169 22 0 "[ . 1 . 2 . 3 . ]" 1
544 2 33 ALA H 2 34 LYS H 2.500 . 2.900 2.742 2.647 2.826 . 0 0 "[ . 1 . 2 . 3 . ]" 1
545 2 33 ALA MB 2 34 LYS H 2.500 . 3.400 2.460 2.377 2.567 . 0 0 "[ . 1 . 2 . 3 . ]" 1
546 2 33 ALA HA 2 34 LYS H 4.000 . 5.000 3.592 3.556 3.618 . 0 0 "[ . 1 . 2 . 3 . ]" 1
547 2 33 ALA H 2 35 GLU H 4.000 . 5.000 4.123 4.061 4.215 . 0 0 "[ . 1 . 2 . 3 . ]" 1
548 2 33 ALA HA 2 36 ILE H 3.000 . 3.500 3.546 3.494 3.622 0.122 19 0 "[ . 1 . 2 . 3 . ]" 1
549 2 33 ALA HA 2 37 VAL H 4.000 . 5.000 4.807 4.705 4.893 . 0 0 "[ . 1 . 2 . 3 . ]" 1
550 2 34 LYS QG 2 35 GLU H 4.000 . 5.000 4.209 4.099 4.256 . 0 0 "[ . 1 . 2 . 3 . ]" 1
551 2 34 LYS H 2 35 GLU H 2.500 . 2.900 2.721 2.653 2.768 . 0 0 "[ . 1 . 2 . 3 . ]" 1
552 2 34 LYS QB 2 35 GLU H 2.500 . 2.900 2.713 2.576 2.795 . 0 0 "[ . 1 . 2 . 3 . ]" 1
553 2 34 LYS HA 2 37 VAL H 3.000 . 3.500 3.376 3.247 3.520 0.020 15 0 "[ . 1 . 2 . 3 . ]" 1
554 2 34 LYS H 2 37 VAL QG 4.000 . 5.500 4.673 4.456 4.826 . 0 0 "[ . 1 . 2 . 3 . ]" 1
555 2 34 LYS HA 2 38 ALA H 4.000 . 5.000 4.447 4.211 4.639 . 0 0 "[ . 1 . 2 . 3 . ]" 1
556 2 35 GLU HA 2 36 ILE H 4.000 . 5.000 3.565 3.539 3.589 . 0 0 "[ . 1 . 2 . 3 . ]" 1
557 2 35 GLU QB 2 36 ILE H 3.000 . 3.500 2.627 2.555 2.682 . 0 0 "[ . 1 . 2 . 3 . ]" 1
558 2 35 GLU H 2 36 ILE H 2.500 . 2.900 2.763 2.690 2.818 . 0 0 "[ . 1 . 2 . 3 . ]" 1
559 2 35 GLU HA 2 37 VAL H 4.000 . 5.000 4.261 4.184 4.342 . 0 0 "[ . 1 . 2 . 3 . ]" 1
560 2 35 GLU H 2 37 VAL H 4.000 . 5.000 4.238 4.118 4.314 . 0 0 "[ . 1 . 2 . 3 . ]" 1
561 2 35 GLU HA 2 38 ALA H 3.000 . 3.500 3.182 3.044 3.292 . 0 0 "[ . 1 . 2 . 3 . ]" 1
562 2 35 GLU H 2 38 ALA H 4.000 . 5.000 4.792 4.612 4.901 . 0 0 "[ . 1 . 2 . 3 . ]" 1
563 2 35 GLU HA 2 39 SER H 4.000 . 5.000 4.460 4.259 4.616 . 0 0 "[ . 1 . 2 . 3 . ]" 1
564 2 36 ILE H 2 37 VAL H 2.500 . 3.000 2.696 2.652 2.758 . 0 0 "[ . 1 . 2 . 3 . ]" 1
565 2 36 ILE QG 2 37 VAL H 4.000 . 5.000 3.976 3.797 4.097 . 0 0 "[ . 1 . 2 . 3 . ]" 1
566 2 36 ILE MG 2 37 VAL H 4.000 . 5.500 3.504 3.376 3.618 . 0 0 "[ . 1 . 2 . 3 . ]" 1
567 2 36 ILE MD 2 37 VAL H 4.000 . 5.500 4.555 4.436 4.628 . 0 0 "[ . 1 . 2 . 3 . ]" 1
568 2 36 ILE HB 2 37 VAL H 2.500 . 2.900 2.633 2.562 2.706 . 0 0 "[ . 1 . 2 . 3 . ]" 1
569 2 36 ILE HA 2 37 VAL H 3.000 . 3.500 3.545 3.527 3.566 0.066 26 0 "[ . 1 . 2 . 3 . ]" 1
570 2 36 ILE H 2 37 VAL QG 4.000 . 5.500 4.088 3.976 4.212 . 0 0 "[ . 1 . 2 . 3 . ]" 1
571 2 36 ILE HB 2 38 ALA H 4.000 . 5.000 4.992 4.921 5.037 0.037 23 0 "[ . 1 . 2 . 3 . ]" 1
572 2 36 ILE HA 2 38 ALA H 4.000 . 5.000 4.296 4.235 4.382 . 0 0 "[ . 1 . 2 . 3 . ]" 1
573 2 36 ILE H 2 38 ALA H 4.000 . 5.000 4.095 4.005 4.194 . 0 0 "[ . 1 . 2 . 3 . ]" 1
574 2 36 ILE H 2 38 ALA MB 4.000 . 5.500 4.746 4.615 4.846 . 0 0 "[ . 1 . 2 . 3 . ]" 1
575 2 36 ILE HA 2 39 SER H 3.000 . 3.500 3.324 3.214 3.465 . 0 0 "[ . 1 . 2 . 3 . ]" 1
576 2 37 VAL H 2 38 ALA H 2.500 . 2.900 2.625 2.565 2.672 . 0 0 "[ . 1 . 2 . 3 . ]" 1
577 2 37 VAL HB 2 38 ALA H 2.500 . 2.900 2.621 2.566 2.687 . 0 0 "[ . 1 . 2 . 3 . ]" 1
578 2 37 VAL QG 2 38 ALA H 3.000 . 4.000 3.216 3.161 3.292 . 0 0 "[ . 1 . 2 . 3 . ]" 1
579 2 37 VAL HA 2 38 ALA H 3.000 . 3.500 3.534 3.521 3.548 0.048 7 0 "[ . 1 . 2 . 3 . ]" 1
580 2 37 VAL H 2 38 ALA MB 4.000 . 5.500 4.296 4.220 4.343 . 0 0 "[ . 1 . 2 . 3 . ]" 1
581 2 37 VAL HB 2 39 SER H 4.000 . 5.000 4.928 4.809 5.058 0.058 29 0 "[ . 1 . 2 . 3 . ]" 1
582 2 37 VAL HA 2 39 SER H 4.000 . 5.000 4.063 3.948 4.239 . 0 0 "[ . 1 . 2 . 3 . ]" 1
583 2 37 VAL HA 2 40 CYS H 3.000 . 3.500 3.186 3.091 3.341 . 0 0 "[ . 1 . 2 . 3 . ]" 1
584 2 37 VAL QG 2 40 CYS H 4.000 . 5.500 4.035 3.964 4.107 . 0 0 "[ . 1 . 2 . 3 . ]" 1
585 2 38 ALA H 2 39 SER H 2.500 . 2.900 2.672 2.588 2.750 . 0 0 "[ . 1 . 2 . 3 . ]" 1
586 2 38 ALA MB 2 39 SER H 2.500 . 3.400 2.683 2.534 2.790 . 0 0 "[ . 1 . 2 . 3 . ]" 1
587 2 38 ALA MB 2 40 CYS H 4.000 . 5.500 4.449 4.318 4.526 . 0 0 "[ . 1 . 2 . 3 . ]" 1
588 2 38 ALA HA 2 40 CYS H 4.000 . 5.000 4.197 4.049 4.341 . 0 0 "[ . 1 . 2 . 3 . ]" 1
589 2 38 ALA H 2 40 CYS H 4.000 . 5.000 4.057 3.978 4.131 . 0 0 "[ . 1 . 2 . 3 . ]" 1
590 2 39 SER H 2 39 SER QB 3.000 . 3.500 2.484 2.391 2.611 . 0 0 "[ . 1 . 2 . 3 . ]" 1
591 2 39 SER QB 2 40 CYS H 2.500 . 2.900 2.848 2.693 2.951 0.051 4 0 "[ . 1 . 2 . 3 . ]" 1
592 2 39 SER HA 2 40 CYS H 3.000 . 3.500 3.499 3.471 3.521 0.021 14 0 "[ . 1 . 2 . 3 . ]" 1
593 2 39 SER H 2 40 CYS H 2.500 . 2.900 2.452 2.390 2.529 . 0 0 "[ . 1 . 2 . 3 . ]" 1
594 2 39 SER H 2 40 CYS QB 4.000 . 5.000 4.278 4.216 4.345 . 0 0 "[ . 1 . 2 . 3 . ]" 1
595 2 40 CYS HA 2 41 ASP H 2.500 . 2.900 2.216 2.169 2.247 . 0 0 "[ . 1 . 2 . 3 . ]" 1
596 2 40 CYS QB 2 41 ASP H 4.000 . 5.000 3.976 3.946 4.013 . 0 0 "[ . 1 . 2 . 3 . ]" 1
597 2 40 CYS H 2 41 ASP H 4.000 . 5.000 4.295 4.222 4.362 . 0 0 "[ . 1 . 2 . 3 . ]" 1
598 2 40 CYS HA 2 42 LYS H 4.000 . 5.000 3.587 3.507 3.671 . 0 0 "[ . 1 . 2 . 3 . ]" 1
599 2 40 CYS H 2 42 LYS H 4.000 . 6.000 5.633 5.564 5.721 . 0 0 "[ . 1 . 2 . 3 . ]" 1
600 2 40 CYS QB 2 43 CYS H 4.000 . 5.000 3.077 2.950 3.724 . 0 0 "[ . 1 . 2 . 3 . ]" 1
601 2 41 ASP H 2 42 LYS H 2.500 . 2.900 2.717 2.593 2.766 . 0 0 "[ . 1 . 2 . 3 . ]" 1
602 2 41 ASP QB 2 42 LYS H 2.500 . 2.900 2.803 2.751 2.859 . 0 0 "[ . 1 . 2 . 3 . ]" 1
603 2 41 ASP HA 2 42 LYS H 3.000 . 3.500 3.524 3.505 3.546 0.046 19 0 "[ . 1 . 2 . 3 . ]" 1
604 2 41 ASP HA 2 43 CYS H 4.000 . 5.000 4.443 3.312 4.665 . 0 0 "[ . 1 . 2 . 3 . ]" 1
605 2 41 ASP HA 2 44 GLN H 4.000 . 5.000 3.433 3.156 4.101 . 0 0 "[ . 1 . 2 . 3 . ]" 1
606 2 42 LYS QB 2 43 CYS H 3.000 . 3.500 2.622 2.519 3.536 0.036 29 0 "[ . 1 . 2 . 3 . ]" 1
607 2 42 LYS QG 2 43 CYS H 4.000 . 5.000 4.070 3.991 4.327 . 0 0 "[ . 1 . 2 . 3 . ]" 1
608 2 42 LYS H 2 43 CYS H 2.500 . 2.900 2.686 2.631 2.769 . 0 0 "[ . 1 . 2 . 3 . ]" 1
609 2 43 CYS HA 2 44 GLN H 3.000 . 3.500 3.492 3.436 3.618 0.118 15 0 "[ . 1 . 2 . 3 . ]" 1
610 2 43 CYS H 2 44 GLN H 2.500 . 2.900 2.355 1.801 2.708 . 0 0 "[ . 1 . 2 . 3 . ]" 1
611 2 43 CYS QB 2 44 GLN H 2.500 . 2.900 2.880 2.352 3.083 0.183 33 0 "[ . 1 . 2 . 3 . ]" 1
612 2 43 CYS H 2 45 LEU H 4.000 . 5.000 4.645 3.127 5.006 0.006 11 0 "[ . 1 . 2 . 3 . ]" 1
613 2 44 GLN H 2 45 LEU H 3.000 . 3.500 2.881 2.607 3.056 . 0 0 "[ . 1 . 2 . 3 . ]" 1
614 2 44 GLN HA 2 45 LEU H 3.000 . 3.500 3.576 3.526 3.612 0.112 10 0 "[ . 1 . 2 . 3 . ]" 1
615 2 44 GLN H 2 45 LEU HG 4.000 . 5.000 4.715 4.377 4.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1
616 2 44 GLN H 2 45 LEU QD 4.000 . 6.500 4.930 4.709 5.038 . 0 0 "[ . 1 . 2 . 3 . ]" 1
617 2 45 LEU HA 2 46 LYS H 2.500 . 2.900 2.418 2.161 3.107 0.207 15 0 "[ . 1 . 2 . 3 . ]" 1
618 2 45 LEU QB 2 46 LYS H 3.000 . 3.500 3.641 3.470 3.874 0.374 18 0 "[ . 1 . 2 . 3 . ]" 1
619 2 45 LEU QD 2 46 LYS H 4.000 . 5.500 3.976 3.723 4.352 . 0 0 "[ . 1 . 2 . 3 . ]" 1
620 2 46 LYS H 2 46 LYS HA 2.500 . 2.900 2.953 2.915 2.981 0.081 1 0 "[ . 1 . 2 . 3 . ]" 1
621 2 46 LYS HA 2 47 GLY H 4.000 . 5.000 2.865 2.169 3.580 . 0 0 "[ . 1 . 2 . 3 . ]" 1
622 2 48 GLU QB 2 49 ALA H 4.000 . 5.000 3.171 1.744 3.904 0.056 27 0 "[ . 1 . 2 . 3 . ]" 1
623 2 49 ALA H 2 49 ALA MB 3.000 . 4.000 2.434 2.130 2.913 . 0 0 "[ . 1 . 2 . 3 . ]" 1
624 2 49 ALA HA 2 50 MET H 3.000 . 3.500 2.790 2.186 3.579 0.079 4 0 "[ . 1 . 2 . 3 . ]" 1
625 2 49 ALA MB 2 50 MET H 4.000 . 5.500 2.769 1.724 3.749 0.076 17 0 "[ . 1 . 2 . 3 . ]" 1
626 2 53 GLN HA 2 54 VAL H 2.500 . 2.900 2.657 2.159 3.160 0.260 24 0 "[ . 1 . 2 . 3 . ]" 1
627 2 54 VAL H 2 54 VAL MG2 3.000 . 4.000 2.670 2.098 3.979 . 0 0 "[ . 1 . 2 . 3 . ]" 1
628 2 54 VAL HA 2 55 ASP H 2.500 . 2.900 2.651 2.126 3.225 0.325 23 0 "[ . 1 . 2 . 3 . ]" 1
629 2 54 VAL HB 2 55 ASP H 3.000 . 3.500 3.231 1.782 3.698 0.198 3 0 "[ . 1 . 2 . 3 . ]" 1
630 2 55 ASP H 2 55 ASP HB3 3.000 . 3.500 3.065 2.537 3.792 0.292 17 0 "[ . 1 . 2 . 3 . ]" 1
631 1 1 PHE HA 1 2 LEU QD 4.000 . 5.500 4.378 4.139 4.785 . 0 0 "[ . 1 . 2 . 3 . ]" 1
632 1 1 PHE QB 1 5 ILE MD 4.000 . 5.500 3.037 2.717 3.232 . 0 0 "[ . 1 . 2 . 3 . ]" 1
633 1 2 LEU HA 1 5 ILE MD 3.000 . 4.000 2.804 2.309 3.403 . 0 0 "[ . 1 . 2 . 3 . ]" 1
634 1 2 LEU HA 1 5 ILE HB 3.000 . 3.300 2.581 2.302 2.912 . 0 0 "[ . 1 . 2 . 3 . ]" 1
635 1 2 LEU QD 1 3 ASP HA 4.000 . 6.500 5.183 5.135 5.259 . 0 0 "[ . 1 . 2 . 3 . ]" 1
636 1 2 LEU QB 1 3 ASP HA 4.000 . 6.000 3.864 3.775 3.978 . 0 0 "[ . 1 . 2 . 3 . ]" 1
637 1 3 ASP QB 1 4 GLY QA 4.000 . 5.000 3.659 3.539 3.874 . 0 0 "[ . 1 . 2 . 3 . ]" 1
638 1 3 ASP HA 1 6 ASP QB 3.000 . 3.300 3.083 2.890 3.324 0.024 18 0 "[ . 1 . 2 . 3 . ]" 1
639 1 3 ASP HA 1 5 ILE MG 4.000 . 6.500 6.315 6.145 6.441 . 0 0 "[ . 1 . 2 . 3 . ]" 1
640 1 4 GLY QA 1 7 LYS QB 3.000 . 3.300 3.250 3.070 3.401 0.101 26 0 "[ . 1 . 2 . 3 . ]" 1
641 1 4 GLY QA 1 7 LYS QD 4.000 . 5.000 3.803 3.243 5.077 0.077 18 0 "[ . 1 . 2 . 3 . ]" 1
642 1 4 GLY QA 1 7 LYS QG 4.000 . 5.000 4.023 3.463 5.078 0.078 33 0 "[ . 1 . 2 . 3 . ]" 1
643 1 4 GLY QA 1 26 PHE QB 4.000 . 6.000 4.447 4.014 4.944 . 0 0 "[ . 1 . 2 . 3 . ]" 1
644 1 4 GLY QA 1 28 LEU QD 4.000 . 5.500 3.082 2.710 3.443 . 0 0 "[ . 1 . 2 . 3 . ]" 1
645 1 5 ILE MG 1 6 ASP QB 4.000 . 6.500 4.446 4.223 4.742 . 0 0 "[ . 1 . 2 . 3 . ]" 1
646 1 5 ILE MG 1 6 ASP HA 4.000 . 5.500 3.341 3.269 3.399 . 0 0 "[ . 1 . 2 . 3 . ]" 1
647 1 5 ILE HA 1 8 ALA HA 4.000 . 5.000 4.978 4.863 5.080 0.080 28 0 "[ . 1 . 2 . 3 . ]" 1
648 1 5 ILE HA 1 8 ALA MB 2.500 . 3.700 2.265 2.188 2.361 . 0 0 "[ . 1 . 2 . 3 . ]" 1
649 1 5 ILE MG 1 9 GLN HA 4.000 . 6.500 3.917 3.697 4.178 . 0 0 "[ . 1 . 2 . 3 . ]" 1
650 1 5 ILE MG 1 9 GLN QG 3.000 . 4.000 3.792 3.411 3.950 . 0 0 "[ . 1 . 2 . 3 . ]" 1
651 1 6 ASP QB 1 7 LYS QB 4.000 . 6.000 4.216 3.684 4.418 . 0 0 "[ . 1 . 2 . 3 . ]" 1
652 1 6 ASP QB 1 7 LYS QG 4.000 . 6.000 3.671 2.999 5.416 . 0 0 "[ . 1 . 2 . 3 . ]" 1
653 1 6 ASP HA 1 9 GLN QB 3.000 . 3.300 2.699 2.567 2.839 . 0 0 "[ . 1 . 2 . 3 . ]" 1
654 1 6 ASP QB 1 9 GLN QB 4.000 . 6.000 4.403 4.191 4.591 . 0 0 "[ . 1 . 2 . 3 . ]" 1
655 1 7 LYS HA 1 10 GLU QB 3.000 . 3.300 3.284 3.168 3.390 0.090 12 0 "[ . 1 . 2 . 3 . ]" 1
656 1 7 LYS QB 1 26 PHE QE 3.000 . 3.300 2.734 2.351 3.324 0.024 4 0 "[ . 1 . 2 . 3 . ]" 1
657 1 7 LYS QG 1 26 PHE QE 4.000 . 5.000 4.098 2.805 4.598 . 0 0 "[ . 1 . 2 . 3 . ]" 1
658 1 7 LYS QD 1 26 PHE HZ 4.000 . 5.000 4.552 2.308 5.054 0.054 23 0 "[ . 1 . 2 . 3 . ]" 1
659 1 7 LYS QD 1 26 PHE QE 3.000 . 3.300 3.035 2.271 3.398 0.098 19 0 "[ . 1 . 2 . 3 . ]" 1
660 1 8 ALA MB 1 9 GLN HA 4.000 . 6.500 3.783 3.748 3.842 . 0 0 "[ . 1 . 2 . 3 . ]" 1
661 1 8 ALA HA 1 11 GLU QB 2.500 . 2.700 2.719 2.557 2.853 0.153 31 0 "[ . 1 . 2 . 3 . ]" 1
662 1 8 ALA HA 1 11 GLU HA 4.000 . 6.000 5.280 5.139 5.430 . 0 0 "[ . 1 . 2 . 3 . ]" 1
663 1 8 ALA HA 1 11 GLU QG 4.000 . 5.000 4.410 4.249 4.599 . 0 0 "[ . 1 . 2 . 3 . ]" 1
664 1 8 ALA MB 1 11 GLU QG 4.000 . 6.500 4.916 4.763 5.239 . 0 0 "[ . 1 . 2 . 3 . ]" 1
665 1 8 ALA MB 1 22 MET HA 4.000 . 6.500 4.372 4.036 4.762 . 0 0 "[ . 1 . 2 . 3 . ]" 1
666 1 8 ALA MB 1 22 MET QB 4.000 . 5.500 3.076 2.709 3.392 . 0 0 "[ . 1 . 2 . 3 . ]" 1
667 1 8 ALA HA 1 26 PHE QE 2.500 . 2.700 2.423 2.320 2.611 . 0 0 "[ . 1 . 2 . 3 . ]" 1
668 1 8 ALA HA 1 26 PHE HZ 3.000 . 3.300 2.497 2.337 2.778 . 0 0 "[ . 1 . 2 . 3 . ]" 1
669 1 8 ALA MB 1 26 PHE QD 2.500 . 3.200 2.906 2.743 3.066 . 0 0 "[ . 1 . 2 . 3 . ]" 1
670 1 8 ALA MB 1 26 PHE HZ 4.000 . 5.500 3.589 3.337 4.016 . 0 0 "[ . 1 . 2 . 3 . ]" 1
671 1 8 ALA MB 1 26 PHE QB 4.000 . 5.500 3.535 3.394 3.642 . 0 0 "[ . 1 . 2 . 3 . ]" 1
672 1 8 ALA MB 1 26 PHE HA 4.000 . 5.500 5.495 5.367 5.612 0.112 14 0 "[ . 1 . 2 . 3 . ]" 1
673 1 8 ALA MB 1 26 PHE QE 4.000 . 5.500 2.741 2.438 3.213 . 0 0 "[ . 1 . 2 . 3 . ]" 1
674 1 8 ALA HA 1 28 LEU QD 4.000 . 6.500 5.520 5.167 5.923 . 0 0 "[ . 1 . 2 . 3 . ]" 1
675 1 8 ALA MB 1 28 LEU QD 4.000 . 5.500 3.264 2.955 3.577 . 0 0 "[ . 1 . 2 . 3 . ]" 1
676 1 8 ALA MB 1 33 ALA HA 4.000 . 5.500 4.618 4.295 4.947 . 0 0 "[ . 1 . 2 . 3 . ]" 1
677 1 8 ALA MB 1 33 ALA MB 4.000 . 6.000 4.821 4.466 5.118 . 0 0 "[ . 1 . 2 . 3 . ]" 1
678 1 8 ALA HA 1 36 ILE MD 4.000 . 5.500 4.306 4.152 4.550 . 0 0 "[ . 1 . 2 . 3 . ]" 1
679 1 8 ALA MB 1 36 ILE QG 3.000 . 4.000 3.480 3.374 3.640 . 0 0 "[ . 1 . 2 . 3 . ]" 1
680 1 9 GLN HA 1 12 HIS QB 3.000 . 3.300 2.709 2.558 2.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1
681 1 9 GLN HA 1 36 ILE MG 2.500 . 3.200 2.548 2.333 2.761 . 0 0 "[ . 1 . 2 . 3 . ]" 1
682 1 9 GLN HA 1 36 ILE MD 3.000 . 3.800 2.696 2.533 2.831 . 0 0 "[ . 1 . 2 . 3 . ]" 1
683 1 9 GLN HA 1 36 ILE HB 4.000 . 6.000 5.118 4.860 5.346 . 0 0 "[ . 1 . 2 . 3 . ]" 1
684 1 9 GLN QB 1 36 ILE MG 4.000 . 6.500 3.567 3.281 3.857 . 0 0 "[ . 1 . 2 . 3 . ]" 1
685 1 9 GLN QB 1 36 ILE MD 4.000 . 6.500 3.431 3.252 3.674 . 0 0 "[ . 1 . 2 . 3 . ]" 1
686 1 9 GLN QB 1 36 ILE QG 4.000 . 6.000 3.942 3.635 4.257 . 0 0 "[ . 1 . 2 . 3 . ]" 1
687 1 9 GLN QG 1 36 ILE MG 3.000 . 3.800 2.646 2.499 2.809 . 0 0 "[ . 1 . 2 . 3 . ]" 1
688 1 9 GLN QG 1 36 ILE MD 3.000 . 3.800 3.857 3.718 3.953 0.153 9 0 "[ . 1 . 2 . 3 . ]" 1
689 1 9 GLN QG 1 36 ILE HA 4.000 2.800 6.000 4.652 4.416 4.958 . 0 0 "[ . 1 . 2 . 3 . ]" 1
690 1 10 GLU HA 1 13 GLU QB 2.500 . 2.700 2.825 2.755 2.887 0.187 7 0 "[ . 1 . 2 . 3 . ]" 1
691 1 10 GLU QG 1 14 LYS QE 4.000 . 6.000 3.880 2.265 4.629 . 0 0 "[ . 1 . 2 . 3 . ]" 1
692 1 11 GLU HA 1 14 LYS QB 3.000 . 3.300 2.754 2.609 2.928 . 0 0 "[ . 1 . 2 . 3 . ]" 1
693 1 11 GLU HA 1 14 LYS QD 4.000 . 5.000 2.890 2.361 4.293 . 0 0 "[ . 1 . 2 . 3 . ]" 1
694 1 11 GLU HA 1 14 LYS QE 4.000 . 5.000 3.845 2.060 4.584 . 0 0 "[ . 1 . 2 . 3 . ]" 1
695 1 11 GLU QB 1 14 LYS QD 4.000 . 6.000 4.541 4.105 5.712 . 0 0 "[ . 1 . 2 . 3 . ]" 1
696 1 11 GLU QG 1 14 LYS QG 4.000 . 6.000 5.222 4.918 5.460 . 0 0 "[ . 1 . 2 . 3 . ]" 1
697 1 11 GLU QG 1 14 LYS QD 4.000 . 5.000 4.324 3.815 5.086 0.086 32 0 "[ . 1 . 2 . 3 . ]" 1
698 1 11 GLU QG 1 14 LYS QE 4.000 . 6.000 4.737 3.026 5.485 . 0 0 "[ . 1 . 2 . 3 . ]" 1
699 1 11 GLU HA 1 15 TYR QD 3.000 . 3.300 3.449 3.342 3.541 0.241 5 0 "[ . 1 . 2 . 3 . ]" 1
700 1 11 GLU HA 1 15 TYR QE 4.000 . 5.000 3.471 3.196 3.871 . 0 0 "[ . 1 . 2 . 3 . ]" 1
701 1 11 GLU QG 1 15 TYR QD 2.500 . 2.700 2.701 2.497 2.844 0.144 9 0 "[ . 1 . 2 . 3 . ]" 1
702 1 11 GLU QG 1 15 TYR QE 3.000 . 3.300 3.314 3.090 3.426 0.126 5 0 "[ . 1 . 2 . 3 . ]" 1
703 1 11 GLU QG 1 25 ASP HA 4.000 . 6.000 6.109 6.054 6.179 0.179 24 0 "[ . 1 . 2 . 3 . ]" 1
704 1 11 GLU QB 1 26 PHE QE 3.000 . 3.300 2.813 2.571 2.973 . 0 0 "[ . 1 . 2 . 3 . ]" 1
705 1 11 GLU QB 1 26 PHE HZ 3.000 . 3.300 3.116 2.829 3.310 0.010 36 0 "[ . 1 . 2 . 3 . ]" 1
706 1 11 GLU QG 1 26 PHE QE 3.000 . 3.300 3.276 2.926 3.433 0.133 24 0 "[ . 1 . 2 . 3 . ]" 1
707 1 12 HIS HA 1 16 HIS HA 3.000 . 3.300 3.371 3.311 3.437 0.137 27 0 "[ . 1 . 2 . 3 . ]" 1
708 1 12 HIS HA 1 16 HIS QB 4.000 . 6.000 5.249 5.176 5.325 . 0 0 "[ . 1 . 2 . 3 . ]" 1
709 1 12 HIS HE1 1 16 HIS QB 4.000 . 5.000 4.178 3.953 4.353 . 0 0 "[ . 1 . 2 . 3 . ]" 1
710 1 12 HIS HE1 1 16 HIS HA 4.000 . 5.000 3.587 3.434 3.732 . 0 0 "[ . 1 . 2 . 3 . ]" 1
711 1 12 HIS QB 1 22 MET ME 4.000 . 5.500 3.178 2.446 3.356 . 0 0 "[ . 1 . 2 . 3 . ]" 1
712 1 12 HIS HE1 1 22 MET ME 4.000 . 5.500 3.556 3.330 4.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1
713 1 12 HIS HA 1 36 ILE MG 4.000 . 6.500 4.475 4.327 4.767 . 0 0 "[ . 1 . 2 . 3 . ]" 1
714 1 12 HIS HB3 1 36 ILE MG 3.000 . 4.000 2.850 2.698 3.036 . 0 0 "[ . 1 . 2 . 3 . ]" 1
715 1 12 HIS HB2 1 36 ILE MG 3.000 . 4.000 2.391 2.268 2.746 . 0 0 "[ . 1 . 2 . 3 . ]" 1
716 1 12 HIS HD1 1 36 ILE MG 3.000 . 4.000 2.737 2.414 3.309 . 0 0 "[ . 1 . 2 . 3 . ]" 1
717 1 12 HIS HE1 1 37 VAL HA 4.000 . 5.000 3.060 2.839 3.273 . 0 0 "[ . 1 . 2 . 3 . ]" 1
718 1 12 HIS HE1 1 37 VAL QG 2.500 . 3.200 2.451 2.267 2.620 . 0 0 "[ . 1 . 2 . 3 . ]" 1
719 1 13 GLU HA 1 14 LYS HA 4.000 . 6.000 4.817 4.793 4.842 . 0 0 "[ . 1 . 2 . 3 . ]" 1
720 1 13 GLU HA 1 16 HIS HE1 4.000 . 5.000 4.354 3.877 4.562 . 0 0 "[ . 1 . 2 . 3 . ]" 1
721 1 14 LYS HA 1 15 TYR QD 4.000 . 5.000 4.672 4.563 4.773 . 0 0 "[ . 1 . 2 . 3 . ]" 1
722 1 14 LYS QB 1 15 TYR QD 3.000 . 3.300 2.459 2.290 2.565 . 0 0 "[ . 1 . 2 . 3 . ]" 1
723 1 14 LYS QE 1 15 TYR QD 4.000 . 5.000 4.164 3.353 4.450 . 0 0 "[ . 1 . 2 . 3 . ]" 1
724 1 14 LYS QD 1 15 TYR QD 4.000 . 5.000 4.120 3.935 4.437 . 0 0 "[ . 1 . 2 . 3 . ]" 1
725 1 14 LYS HA 1 15 TYR QE 4.000 . 5.000 4.895 4.814 5.004 0.004 23 0 "[ . 1 . 2 . 3 . ]" 1
726 1 14 LYS QD 1 15 TYR QE 2.500 . 2.700 2.724 2.565 2.882 0.182 9 0 "[ . 1 . 2 . 3 . ]" 1
727 1 14 LYS QB 1 15 TYR QE 3.000 . 3.300 2.407 2.344 2.525 . 0 0 "[ . 1 . 2 . 3 . ]" 1
728 1 14 LYS QE 1 15 TYR QE 2.500 . 2.700 2.588 2.274 2.765 0.065 22 0 "[ . 1 . 2 . 3 . ]" 1
729 1 15 TYR HA 1 16 HIS HD2 4.000 . 5.000 4.164 3.854 4.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1
730 1 16 HIS HE1 1 42 LYS QD 3.000 . 3.300 2.376 2.288 2.543 . 0 0 "[ . 1 . 2 . 3 . ]" 1
731 1 16 HIS HE1 1 42 LYS QB 2.500 . 2.700 2.793 2.595 2.882 0.182 28 0 "[ . 1 . 2 . 3 . ]" 1
732 1 16 HIS HE1 1 42 LYS QE 4.000 . 6.000 4.031 3.524 4.462 . 0 0 "[ . 1 . 2 . 3 . ]" 1
733 1 16 HIS HE1 1 42 LYS QG 4.000 . 5.000 3.786 3.536 4.144 . 0 0 "[ . 1 . 2 . 3 . ]" 1
734 1 16 HIS HE1 1 42 LYS HA 4.000 . 6.000 5.809 5.646 5.900 . 0 0 "[ . 1 . 2 . 3 . ]" 1
735 1 17 SER QB 1 21 ALA MB 2.500 . 3.200 2.121 2.069 2.197 . 0 0 "[ . 1 . 2 . 3 . ]" 1
736 1 17 SER HA 1 21 ALA MB 3.000 . 3.800 3.876 3.797 3.982 0.182 26 0 "[ . 1 . 2 . 3 . ]" 1
737 1 17 SER QB 1 22 MET QG 3.000 . 3.300 3.231 2.462 3.404 0.104 25 0 "[ . 1 . 2 . 3 . ]" 1
738 1 18 ASN HA 1 21 ALA MB 4.000 . 6.500 4.634 4.527 4.768 . 0 0 "[ . 1 . 2 . 3 . ]" 1
739 1 18 ASN HA 1 37 VAL QG 4.000 . 5.500 3.345 2.983 3.565 . 0 0 "[ . 1 . 2 . 3 . ]" 1
740 1 19 TRP HD1 1 20 ARG QG 4.000 . 6.000 4.031 3.787 4.231 . 0 0 "[ . 1 . 2 . 3 . ]" 1
741 1 19 TRP HH2 1 20 ARG QB 4.000 . 6.000 4.946 4.848 5.130 . 0 0 "[ . 1 . 2 . 3 . ]" 1
742 1 19 TRP HH2 1 20 ARG QG 4.000 . 6.000 3.049 2.960 3.553 . 0 0 "[ . 1 . 2 . 3 . ]" 1
743 1 19 TRP HH2 1 20 ARG QD 4.000 . 6.000 4.371 3.941 4.745 . 0 0 "[ . 1 . 2 . 3 . ]" 1
744 1 19 TRP HZ2 1 20 ARG QD 4.000 . 6.000 3.641 3.051 4.369 . 0 0 "[ . 1 . 2 . 3 . ]" 1
745 1 19 TRP HZ3 1 20 ARG HA 3.000 . 3.300 3.253 3.088 3.377 0.077 11 0 "[ . 1 . 2 . 3 . ]" 1
746 1 19 TRP HA 1 22 MET QB 3.000 . 3.300 2.617 2.369 2.817 . 0 0 "[ . 1 . 2 . 3 . ]" 1
747 1 19 TRP HA 1 22 MET QG 4.000 . 5.000 3.542 3.321 4.044 . 0 0 "[ . 1 . 2 . 3 . ]" 1
748 1 19 TRP HA 1 22 MET ME 2.500 . 3.200 2.081 2.020 2.600 . 0 0 "[ . 1 . 2 . 3 . ]" 1
749 1 19 TRP QB 1 22 MET ME 4.000 . 5.500 3.099 3.007 3.404 . 0 0 "[ . 1 . 2 . 3 . ]" 1
750 1 19 TRP HD1 1 22 MET ME 4.000 . 6.000 5.295 5.102 5.975 . 0 0 "[ . 1 . 2 . 3 . ]" 1
751 1 19 TRP HH2 1 23 ALA MB 4.000 . 5.500 4.787 4.404 4.975 . 0 0 "[ . 1 . 2 . 3 . ]" 1
752 1 19 TRP HE3 1 23 ALA MB 2.500 . 3.200 2.370 2.267 2.525 . 0 0 "[ . 1 . 2 . 3 . ]" 1
753 1 19 TRP HZ3 1 23 ALA MB 2.500 . 3.200 2.869 2.517 3.074 . 0 0 "[ . 1 . 2 . 3 . ]" 1
754 1 19 TRP HH2 1 30 PRO HA 4.000 . 5.000 4.866 4.638 5.085 0.085 20 0 "[ . 1 . 2 . 3 . ]" 1
755 1 19 TRP HH2 1 30 PRO QB 4.000 . 5.000 3.341 3.129 3.574 . 0 0 "[ . 1 . 2 . 3 . ]" 1
756 1 19 TRP HH2 1 30 PRO QG 4.000 . 5.000 3.368 2.553 4.436 . 0 0 "[ . 1 . 2 . 3 . ]" 1
757 1 19 TRP HZ2 1 30 PRO HA 4.000 . 6.000 5.996 5.821 6.123 0.123 9 0 "[ . 1 . 2 . 3 . ]" 1
758 1 19 TRP HZ2 1 30 PRO QB 4.000 . 6.000 4.232 4.030 4.455 . 0 0 "[ . 1 . 2 . 3 . ]" 1
759 1 19 TRP HZ3 1 30 PRO HA 3.000 . 3.300 2.989 2.731 3.311 0.011 20 0 "[ . 1 . 2 . 3 . ]" 1
760 1 19 TRP HZ3 1 30 PRO QB 4.000 . 5.000 2.775 2.491 3.034 . 0 0 "[ . 1 . 2 . 3 . ]" 1
761 1 19 TRP HZ3 1 30 PRO QG 4.000 . 5.000 3.026 2.295 4.177 . 0 0 "[ . 1 . 2 . 3 . ]" 1
762 1 19 TRP HE3 1 30 PRO HA 3.000 . 3.300 2.539 2.346 2.745 . 0 0 "[ . 1 . 2 . 3 . ]" 1
763 1 19 TRP HE3 1 30 PRO QB 4.000 . 5.000 3.359 3.185 3.618 . 0 0 "[ . 1 . 2 . 3 . ]" 1
764 1 19 TRP HA 1 33 ALA HA 4.000 . 5.000 4.166 4.014 4.518 . 0 0 "[ . 1 . 2 . 3 . ]" 1
765 1 19 TRP HD1 1 33 ALA MB 4.000 . 6.500 5.227 5.158 5.333 . 0 0 "[ . 1 . 2 . 3 . ]" 1
766 1 19 TRP HA 1 33 ALA MB 2.500 . 3.200 2.340 2.264 2.573 . 0 0 "[ . 1 . 2 . 3 . ]" 1
767 1 19 TRP QB 1 33 ALA MB 3.000 . 4.000 2.096 2.033 2.227 . 0 0 "[ . 1 . 2 . 3 . ]" 1
768 1 19 TRP HE3 1 33 ALA MB 2.500 . 3.200 2.354 2.216 2.534 . 0 0 "[ . 1 . 2 . 3 . ]" 1
769 1 19 TRP HZ3 1 33 ALA MB 4.000 . 5.500 4.148 3.959 4.334 . 0 0 "[ . 1 . 2 . 3 . ]" 1
770 1 19 TRP HA 1 34 LYS HA 4.000 . 5.000 4.404 4.172 4.627 . 0 0 "[ . 1 . 2 . 3 . ]" 1
771 1 19 TRP QB 1 34 LYS HA 3.000 . 3.300 2.270 2.164 2.470 . 0 0 "[ . 1 . 2 . 3 . ]" 1
772 1 19 TRP HD1 1 34 LYS QG 4.000 . 5.000 3.404 3.029 4.317 . 0 0 "[ . 1 . 2 . 3 . ]" 1
773 1 19 TRP HD1 1 34 LYS QB 4.000 . 5.000 5.013 4.800 5.189 0.189 17 0 "[ . 1 . 2 . 3 . ]" 1
774 1 19 TRP HD1 1 34 LYS HA 4.000 . 5.000 4.051 3.841 4.311 . 0 0 "[ . 1 . 2 . 3 . ]" 1
775 1 19 TRP HZ2 1 34 LYS QD 4.000 . 5.000 4.319 3.841 5.070 0.070 11 0 "[ . 1 . 2 . 3 . ]" 1
776 1 19 TRP HE3 1 34 LYS QG 4.000 . 6.000 3.369 3.140 3.805 . 0 0 "[ . 1 . 2 . 3 . ]" 1
777 1 19 TRP HA 1 36 ILE MD 4.000 . 6.500 4.976 4.696 5.295 . 0 0 "[ . 1 . 2 . 3 . ]" 1
778 1 19 TRP HA 1 37 VAL QG 2.500 . 3.200 3.172 2.890 3.293 0.093 38 0 "[ . 1 . 2 . 3 . ]" 1
779 1 19 TRP HB2 1 37 VAL QG 3.000 . 4.000 3.387 3.257 3.537 . 0 0 "[ . 1 . 2 . 3 . ]" 1
780 1 19 TRP HB3 1 37 VAL QG 3.000 . 4.000 2.186 2.063 2.380 . 0 0 "[ . 1 . 2 . 3 . ]" 1
781 1 19 TRP HD1 1 37 VAL QG 3.000 . 3.800 3.057 2.758 3.472 . 0 0 "[ . 1 . 2 . 3 . ]" 1
782 1 20 ARG HA 1 23 ALA MB 2.500 . 3.200 2.616 2.465 2.754 . 0 0 "[ . 1 . 2 . 3 . ]" 1
783 1 20 ARG HA 1 21 ALA MB 4.000 . 6.500 5.024 5.006 5.060 . 0 0 "[ . 1 . 2 . 3 . ]" 1
784 1 20 ARG HA 1 33 ALA MB 4.000 . 6.500 4.239 4.099 4.522 . 0 0 "[ . 1 . 2 . 3 . ]" 1
785 1 20 ARG QB 1 23 ALA MB 4.000 . 6.500 4.159 4.066 4.344 . 0 0 "[ . 1 . 2 . 3 . ]" 1
786 1 21 ALA MB 1 22 MET HA 4.000 . 6.500 3.796 3.755 3.834 . 0 0 "[ . 1 . 2 . 3 . ]" 1
787 1 21 ALA MB 1 24 SER QB 4.000 . 5.500 4.297 4.161 4.475 . 0 0 "[ . 1 . 2 . 3 . ]" 1
788 1 21 ALA HA 1 24 SER QB 3.000 . 3.300 3.027 2.837 3.270 . 0 0 "[ . 1 . 2 . 3 . ]" 1
789 1 22 MET HA 1 25 ASP QB 3.000 . 3.300 2.318 2.207 2.434 . 0 0 "[ . 1 . 2 . 3 . ]" 1
790 1 22 MET QG 1 26 PHE QE 4.000 . 6.000 3.829 3.360 4.256 . 0 0 "[ . 1 . 2 . 3 . ]" 1
791 1 22 MET HA 1 26 PHE QD 2.500 . 3.200 3.179 3.030 3.300 0.100 31 0 "[ . 1 . 2 . 3 . ]" 1
792 1 22 MET QB 1 26 PHE QD 4.000 . 5.000 3.346 3.142 3.512 . 0 0 "[ . 1 . 2 . 3 . ]" 1
793 1 22 MET ME 1 36 ILE MG 3.000 . 4.000 2.656 2.364 3.291 . 0 0 "[ . 1 . 2 . 3 . ]" 1
794 1 23 ALA MB 1 24 SER QB 4.000 . 6.500 3.893 3.603 4.344 . 0 0 "[ . 1 . 2 . 3 . ]" 1
795 1 23 ALA MB 1 24 SER HA 4.000 . 5.500 3.834 3.782 3.891 . 0 0 "[ . 1 . 2 . 3 . ]" 1
796 1 23 ALA MB 1 26 PHE QB 4.000 . 5.500 5.202 5.003 5.365 . 0 0 "[ . 1 . 2 . 3 . ]" 1
797 1 23 ALA MB 1 27 ASN HA 4.000 . 6.500 4.335 4.219 4.481 . 0 0 "[ . 1 . 2 . 3 . ]" 1
798 1 23 ALA MB 1 28 LEU HA 4.000 . 6.500 5.107 4.971 5.260 . 0 0 "[ . 1 . 2 . 3 . ]" 1
799 1 23 ALA MB 1 28 LEU QD 4.000 . 6.000 4.810 4.675 4.912 . 0 0 "[ . 1 . 2 . 3 . ]" 1
800 1 23 ALA HA 1 28 LEU HA 4.000 . 6.000 5.016 4.898 5.179 . 0 0 "[ . 1 . 2 . 3 . ]" 1
801 1 23 ALA HA 1 28 LEU QD 4.000 . 5.500 4.052 3.841 4.261 . 0 0 "[ . 1 . 2 . 3 . ]" 1
802 1 23 ALA HA 1 28 LEU QB 3.000 . 3.300 2.923 2.766 3.146 . 0 0 "[ . 1 . 2 . 3 . ]" 1
803 1 23 ALA HA 1 33 ALA MB 3.000 . 3.800 2.650 2.384 2.888 . 0 0 "[ . 1 . 2 . 3 . ]" 1
804 1 23 ALA MB 1 33 ALA MB 4.000 . 6.000 2.266 2.022 2.484 . 0 0 "[ . 1 . 2 . 3 . ]" 1
805 1 24 SER QB 1 27 ASN HA 4.000 . 5.000 5.028 4.913 5.114 0.114 29 0 "[ . 1 . 2 . 3 . ]" 1
806 1 24 SER HA 1 27 ASN HA 4.000 . 5.000 3.042 2.963 3.181 . 0 0 "[ . 1 . 2 . 3 . ]" 1
807 1 26 PHE QB 1 28 LEU QD 3.000 . 3.800 2.032 1.964 2.191 . 0 0 "[ . 1 . 2 . 3 . ]" 1
808 1 26 PHE QB 1 28 LEU HG 3.000 . 3.300 2.414 2.238 2.586 . 0 0 "[ . 1 . 2 . 3 . ]" 1
809 1 26 PHE QD 1 28 LEU QD 4.000 . 5.500 3.366 3.274 3.494 . 0 0 "[ . 1 . 2 . 3 . ]" 1
810 1 28 LEU QD 1 29 PRO QD 4.000 . 5.500 2.489 2.289 2.799 . 0 0 "[ . 1 . 2 . 3 . ]" 1
811 1 28 LEU QB 1 29 PRO QD 4.000 . 6.000 2.283 2.217 2.517 . 0 0 "[ . 1 . 2 . 3 . ]" 1
812 1 28 LEU QD 1 29 PRO QG 4.000 . 5.500 3.925 3.704 4.343 . 0 0 "[ . 1 . 2 . 3 . ]" 1
813 1 28 LEU HA 1 33 ALA MB 4.000 . 6.500 5.876 5.666 6.057 . 0 0 "[ . 1 . 2 . 3 . ]" 1
814 1 29 PRO QD 1 32 VAL QG 3.000 . 4.000 2.771 2.560 2.980 . 0 0 "[ . 1 . 2 . 3 . ]" 1
815 1 30 PRO HA 1 33 ALA MB 2.500 . 3.200 2.550 2.336 2.771 . 0 0 "[ . 1 . 2 . 3 . ]" 1
816 1 31 VAL HA 1 34 LYS QB 3.000 . 3.300 2.679 2.480 2.877 . 0 0 "[ . 1 . 2 . 3 . ]" 1
817 1 32 VAL HA 1 35 GLU QB 3.000 . 3.300 2.934 2.800 3.065 . 0 0 "[ . 1 . 2 . 3 . ]" 1
818 1 33 ALA MB 1 34 LYS HA 4.000 . 5.000 3.824 3.755 3.860 . 0 0 "[ . 1 . 2 . 3 . ]" 1
819 1 33 ALA HA 1 36 ILE HB 3.000 . 3.500 3.439 3.251 3.532 0.032 29 0 "[ . 1 . 2 . 3 . ]" 1
820 1 33 ALA HA 1 36 ILE QG 3.000 . 3.300 3.107 2.712 3.330 0.030 23 0 "[ . 1 . 2 . 3 . ]" 1
821 1 33 ALA HA 1 36 ILE MG 4.000 . 5.500 4.640 4.501 4.715 . 0 0 "[ . 1 . 2 . 3 . ]" 1
822 1 33 ALA HA 1 36 ILE MD 2.500 . 3.200 2.736 2.442 3.004 . 0 0 "[ . 1 . 2 . 3 . ]" 1
823 1 33 ALA MB 1 36 ILE MG 4.000 . 7.000 5.203 5.032 5.291 . 0 0 "[ . 1 . 2 . 3 . ]" 1
824 1 33 ALA HA 1 37 VAL QG 4.000 . 6.500 4.612 4.435 4.779 . 0 0 "[ . 1 . 2 . 3 . ]" 1
825 1 33 ALA MB 1 37 VAL QG 4.000 . 7.000 3.993 3.853 4.176 . 0 0 "[ . 1 . 2 . 3 . ]" 1
826 1 34 LYS HA 1 37 VAL HB 3.000 . 3.300 3.019 2.756 3.183 . 0 0 "[ . 1 . 2 . 3 . ]" 1
827 1 34 LYS HA 1 37 VAL QG 3.000 . 3.300 2.765 2.515 3.036 . 0 0 "[ . 1 . 2 . 3 . ]" 1
828 1 35 GLU HA 1 38 ALA MB 2.500 . 3.200 2.519 2.263 2.692 . 0 0 "[ . 1 . 2 . 3 . ]" 1
829 1 36 ILE MG 1 37 VAL HA 4.000 . 6.500 3.544 3.384 3.743 . 0 0 "[ . 1 . 2 . 3 . ]" 1
830 1 36 ILE MG 1 37 VAL MG1 4.000 . 6.000 5.026 4.891 5.228 . 0 0 "[ . 1 . 2 . 3 . ]" 1
831 1 36 ILE HA 1 39 SER QB 3.000 . 3.300 2.968 2.735 3.210 . 0 0 "[ . 1 . 2 . 3 . ]" 1
832 1 36 ILE HA 1 39 SER HA 4.000 . 6.000 5.466 5.266 5.750 . 0 0 "[ . 1 . 2 . 3 . ]" 1
833 1 37 VAL QG 1 38 ALA HA 4.000 . 5.500 3.462 3.343 3.622 . 0 0 "[ . 1 . 2 . 3 . ]" 1
834 1 37 VAL HA 1 40 CYS QB 3.000 . 3.300 2.605 2.494 2.734 . 0 0 "[ . 1 . 2 . 3 . ]" 1
835 1 37 VAL QG 1 43 CYS HA 4.000 . 5.500 4.187 3.973 4.441 . 0 0 "[ . 1 . 2 . 3 . ]" 1
836 1 37 VAL QG 1 43 CYS QB 3.000 . 3.800 2.129 2.018 2.262 . 0 0 "[ . 1 . 2 . 3 . ]" 1
837 1 37 VAL QG 1 44 GLN HA 4.000 . 6.500 2.951 2.532 3.381 . 0 0 "[ . 1 . 2 . 3 . ]" 1
838 1 38 ALA MB 1 39 SER HA 4.000 . 5.500 3.862 3.812 3.907 . 0 0 "[ . 1 . 2 . 3 . ]" 1
839 1 40 CYS QB 1 43 CYS QB 3.000 . 3.300 2.336 2.272 2.431 . 0 0 "[ . 1 . 2 . 3 . ]" 1
840 1 40 CYS QB 1 43 CYS HA 4.000 . 6.000 4.998 4.909 5.104 . 0 0 "[ . 1 . 2 . 3 . ]" 1
841 1 42 LYS HA 1 45 LEU HG 4.000 . 6.000 5.911 5.455 6.131 0.131 27 0 "[ . 1 . 2 . 3 . ]" 1
842 1 43 CYS QB 1 44 GLN HA 4.000 . 5.000 3.966 3.803 4.051 . 0 0 "[ . 1 . 2 . 3 . ]" 1
843 1 43 CYS HA 1 44 GLN HA 4.000 . 5.000 4.759 4.683 4.807 . 0 0 "[ . 1 . 2 . 3 . ]" 1
844 1 43 CYS HA 1 46 LYS QG 4.000 . 5.000 4.541 2.929 5.135 0.135 32 0 "[ . 1 . 2 . 3 . ]" 1
845 1 43 CYS HA 1 46 LYS QB 4.000 . 5.000 4.238 2.443 5.184 0.184 37 0 "[ . 1 . 2 . 3 . ]" 1
846 1 44 GLN HA 1 45 LEU QD 4.000 . 5.500 4.510 4.230 4.894 . 0 0 "[ . 1 . 2 . 3 . ]" 1
847 2 1 PHE HA 2 2 LEU QD 4.000 . 5.500 4.375 4.133 4.792 . 0 0 "[ . 1 . 2 . 3 . ]" 1
848 2 1 PHE QB 2 5 ILE MD 4.000 . 5.500 3.036 2.722 3.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1
849 2 2 LEU HA 2 5 ILE MD 3.000 . 4.000 2.803 2.296 3.407 . 0 0 "[ . 1 . 2 . 3 . ]" 1
850 2 2 LEU HA 2 5 ILE HB 3.000 . 3.300 2.578 2.321 2.942 . 0 0 "[ . 1 . 2 . 3 . ]" 1
851 2 2 LEU QD 2 3 ASP HA 4.000 . 6.500 5.183 5.136 5.251 . 0 0 "[ . 1 . 2 . 3 . ]" 1
852 2 2 LEU QB 2 3 ASP HA 4.000 . 6.000 3.863 3.795 3.969 . 0 0 "[ . 1 . 2 . 3 . ]" 1
853 2 3 ASP QB 2 4 GLY QA 4.000 . 5.000 3.657 3.547 3.856 . 0 0 "[ . 1 . 2 . 3 . ]" 1
854 2 3 ASP HA 2 6 ASP QB 3.000 . 3.300 3.082 2.867 3.358 0.058 18 0 "[ . 1 . 2 . 3 . ]" 1
855 2 3 ASP HA 2 5 ILE MG 4.000 . 6.500 6.322 6.171 6.485 . 0 0 "[ . 1 . 2 . 3 . ]" 1
856 2 4 GLY QA 2 7 LYS QB 3.000 . 3.300 3.246 3.070 3.392 0.092 13 0 "[ . 1 . 2 . 3 . ]" 1
857 2 4 GLY QA 2 7 LYS QD 4.000 . 5.000 3.794 3.235 5.086 0.086 18 0 "[ . 1 . 2 . 3 . ]" 1
858 2 4 GLY QA 2 7 LYS QG 4.000 . 5.000 4.025 3.464 5.068 0.068 22 0 "[ . 1 . 2 . 3 . ]" 1
859 2 4 GLY QA 2 26 PHE QB 4.000 . 6.000 4.450 3.998 4.942 . 0 0 "[ . 1 . 2 . 3 . ]" 1
860 2 4 GLY QA 2 28 LEU QD 4.000 . 5.500 3.084 2.696 3.425 . 0 0 "[ . 1 . 2 . 3 . ]" 1
861 2 5 ILE MG 2 6 ASP QB 4.000 . 6.500 4.448 4.251 4.732 . 0 0 "[ . 1 . 2 . 3 . ]" 1
862 2 5 ILE MG 2 6 ASP HA 4.000 . 5.500 3.342 3.279 3.413 . 0 0 "[ . 1 . 2 . 3 . ]" 1
863 2 5 ILE HA 2 8 ALA HA 4.000 . 5.000 4.981 4.881 5.069 0.069 12 0 "[ . 1 . 2 . 3 . ]" 1
864 2 5 ILE HA 2 8 ALA MB 2.500 . 3.700 2.266 2.205 2.345 . 0 0 "[ . 1 . 2 . 3 . ]" 1
865 2 5 ILE MG 2 9 GLN HA 4.000 . 6.500 3.915 3.706 4.151 . 0 0 "[ . 1 . 2 . 3 . ]" 1
866 2 5 ILE MG 2 9 GLN QG 3.000 . 4.000 3.785 3.372 3.932 . 0 0 "[ . 1 . 2 . 3 . ]" 1
867 2 6 ASP QB 2 7 LYS QB 4.000 . 6.000 4.218 3.703 4.425 . 0 0 "[ . 1 . 2 . 3 . ]" 1
868 2 6 ASP QB 2 7 LYS QG 4.000 . 6.000 3.671 2.961 5.422 . 0 0 "[ . 1 . 2 . 3 . ]" 1
869 2 6 ASP HA 2 9 GLN QB 3.000 . 3.300 2.696 2.569 2.846 . 0 0 "[ . 1 . 2 . 3 . ]" 1
870 2 6 ASP QB 2 9 GLN QB 4.000 . 6.000 4.400 4.193 4.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1
871 2 7 LYS HA 2 10 GLU QB 3.000 . 3.300 3.286 3.200 3.374 0.074 15 0 "[ . 1 . 2 . 3 . ]" 1
872 2 7 LYS QB 2 26 PHE QE 3.000 . 3.300 2.738 2.308 3.342 0.042 34 0 "[ . 1 . 2 . 3 . ]" 1
873 2 7 LYS QG 2 26 PHE QE 4.000 . 5.000 4.100 2.731 4.590 . 0 0 "[ . 1 . 2 . 3 . ]" 1
874 2 7 LYS QD 2 26 PHE HZ 4.000 . 5.000 4.554 2.326 5.064 0.064 23 0 "[ . 1 . 2 . 3 . ]" 1
875 2 7 LYS QD 2 26 PHE QE 3.000 . 3.300 3.039 2.264 3.386 0.086 19 0 "[ . 1 . 2 . 3 . ]" 1
876 2 8 ALA MB 2 9 GLN HA 4.000 . 6.500 3.783 3.706 3.852 . 0 0 "[ . 1 . 2 . 3 . ]" 1
877 2 8 ALA HA 2 11 GLU QB 2.500 . 2.700 2.718 2.571 2.837 0.137 31 0 "[ . 1 . 2 . 3 . ]" 1
878 2 8 ALA HA 2 11 GLU HA 4.000 . 6.000 5.274 5.186 5.416 . 0 0 "[ . 1 . 2 . 3 . ]" 1
879 2 8 ALA HA 2 11 GLU QG 4.000 . 5.000 4.411 4.268 4.619 . 0 0 "[ . 1 . 2 . 3 . ]" 1
880 2 8 ALA MB 2 11 GLU QG 4.000 . 6.500 4.913 4.769 5.220 . 0 0 "[ . 1 . 2 . 3 . ]" 1
881 2 8 ALA MB 2 22 MET HA 4.000 . 6.500 4.371 4.063 4.686 . 0 0 "[ . 1 . 2 . 3 . ]" 1
882 2 8 ALA MB 2 22 MET QB 4.000 . 5.500 3.076 2.744 3.398 . 0 0 "[ . 1 . 2 . 3 . ]" 1
883 2 8 ALA HA 2 26 PHE QE 2.500 . 2.700 2.425 2.320 2.606 . 0 0 "[ . 1 . 2 . 3 . ]" 1
884 2 8 ALA HA 2 26 PHE HZ 3.000 . 3.300 2.493 2.335 2.775 . 0 0 "[ . 1 . 2 . 3 . ]" 1
885 2 8 ALA MB 2 26 PHE QD 2.500 . 3.200 2.905 2.753 3.090 . 0 0 "[ . 1 . 2 . 3 . ]" 1
886 2 8 ALA MB 2 26 PHE HZ 4.000 . 5.500 3.582 3.329 3.984 . 0 0 "[ . 1 . 2 . 3 . ]" 1
887 2 8 ALA MB 2 26 PHE QB 4.000 . 5.500 3.534 3.377 3.672 . 0 0 "[ . 1 . 2 . 3 . ]" 1
888 2 8 ALA MB 2 26 PHE HA 4.000 . 5.500 5.494 5.367 5.594 0.094 14 0 "[ . 1 . 2 . 3 . ]" 1
889 2 8 ALA MB 2 26 PHE QE 4.000 . 5.500 2.736 2.431 3.183 . 0 0 "[ . 1 . 2 . 3 . ]" 1
890 2 8 ALA HA 2 28 LEU QD 4.000 . 6.500 5.527 5.183 5.895 . 0 0 "[ . 1 . 2 . 3 . ]" 1
891 2 8 ALA MB 2 28 LEU QD 4.000 . 5.500 3.267 2.969 3.562 . 0 0 "[ . 1 . 2 . 3 . ]" 1
892 2 8 ALA MB 2 33 ALA HA 4.000 . 5.500 4.622 4.277 4.950 . 0 0 "[ . 1 . 2 . 3 . ]" 1
893 2 8 ALA MB 2 33 ALA MB 4.000 . 6.000 4.825 4.434 5.134 . 0 0 "[ . 1 . 2 . 3 . ]" 1
894 2 8 ALA HA 2 36 ILE MD 4.000 . 5.500 4.310 4.139 4.555 . 0 0 "[ . 1 . 2 . 3 . ]" 1
895 2 8 ALA MB 2 36 ILE QG 3.000 . 4.000 3.482 3.363 3.646 . 0 0 "[ . 1 . 2 . 3 . ]" 1
896 2 9 GLN HA 2 12 HIS QB 3.000 . 3.300 2.709 2.565 2.915 . 0 0 "[ . 1 . 2 . 3 . ]" 1
897 2 9 GLN HA 2 36 ILE MG 2.500 . 3.200 2.547 2.323 2.761 . 0 0 "[ . 1 . 2 . 3 . ]" 1
898 2 9 GLN HA 2 36 ILE MD 3.000 . 3.800 2.702 2.577 2.824 . 0 0 "[ . 1 . 2 . 3 . ]" 1
899 2 9 GLN HA 2 36 ILE HB 4.000 . 6.000 5.116 4.901 5.341 . 0 0 "[ . 1 . 2 . 3 . ]" 1
900 2 9 GLN QB 2 36 ILE MG 4.000 . 6.500 3.566 3.229 3.851 . 0 0 "[ . 1 . 2 . 3 . ]" 1
901 2 9 GLN QB 2 36 ILE MD 4.000 . 6.500 3.438 3.233 3.660 . 0 0 "[ . 1 . 2 . 3 . ]" 1
902 2 9 GLN QB 2 36 ILE QG 4.000 . 6.000 3.940 3.665 4.239 . 0 0 "[ . 1 . 2 . 3 . ]" 1
903 2 9 GLN QG 2 36 ILE MG 3.000 . 3.800 2.640 2.474 2.805 . 0 0 "[ . 1 . 2 . 3 . ]" 1
904 2 9 GLN QG 2 36 ILE MD 3.000 . 3.800 3.862 3.716 3.955 0.155 4 0 "[ . 1 . 2 . 3 . ]" 1
905 2 9 GLN QG 2 36 ILE HA 4.000 2.800 6.000 4.646 4.408 4.934 . 0 0 "[ . 1 . 2 . 3 . ]" 1
906 2 10 GLU HA 2 13 GLU QB 2.500 . 2.700 2.820 2.741 2.889 0.189 17 0 "[ . 1 . 2 . 3 . ]" 1
907 2 10 GLU QG 2 14 LYS QE 4.000 . 6.000 3.882 2.276 4.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1
908 2 11 GLU HA 2 14 LYS QB 3.000 . 3.300 2.753 2.596 2.904 . 0 0 "[ . 1 . 2 . 3 . ]" 1
909 2 11 GLU HA 2 14 LYS QD 4.000 . 5.000 2.900 2.376 4.292 . 0 0 "[ . 1 . 2 . 3 . ]" 1
910 2 11 GLU HA 2 14 LYS QE 4.000 . 5.000 3.855 2.058 4.610 . 0 0 "[ . 1 . 2 . 3 . ]" 1
911 2 11 GLU QB 2 14 LYS QD 4.000 . 6.000 4.550 4.105 5.705 . 0 0 "[ . 1 . 2 . 3 . ]" 1
912 2 11 GLU QG 2 14 LYS QG 4.000 . 6.000 5.215 4.906 5.425 . 0 0 "[ . 1 . 2 . 3 . ]" 1
913 2 11 GLU QG 2 14 LYS QD 4.000 . 5.000 4.326 3.825 5.087 0.087 32 0 "[ . 1 . 2 . 3 . ]" 1
914 2 11 GLU QG 2 14 LYS QE 4.000 . 6.000 4.742 3.028 5.485 . 0 0 "[ . 1 . 2 . 3 . ]" 1
915 2 11 GLU HA 2 15 TYR QD 3.000 . 3.300 3.450 3.342 3.557 0.257 5 0 "[ . 1 . 2 . 3 . ]" 1
916 2 11 GLU HA 2 15 TYR QE 4.000 . 5.000 3.476 3.191 3.886 . 0 0 "[ . 1 . 2 . 3 . ]" 1
917 2 11 GLU QG 2 15 TYR QD 2.500 . 2.700 2.700 2.445 2.855 0.155 9 0 "[ . 1 . 2 . 3 . ]" 1
918 2 11 GLU QG 2 15 TYR QE 3.000 . 3.300 3.317 3.087 3.441 0.141 27 0 "[ . 1 . 2 . 3 . ]" 1
919 2 11 GLU QG 2 25 ASP HA 4.000 . 6.000 6.111 6.048 6.182 0.182 36 0 "[ . 1 . 2 . 3 . ]" 1
920 2 11 GLU QB 2 26 PHE QE 3.000 . 3.300 2.813 2.549 2.963 . 0 0 "[ . 1 . 2 . 3 . ]" 1
921 2 11 GLU QB 2 26 PHE HZ 3.000 . 3.300 3.113 2.816 3.318 0.018 36 0 "[ . 1 . 2 . 3 . ]" 1
922 2 11 GLU QG 2 26 PHE QE 3.000 . 3.300 3.281 2.919 3.437 0.137 26 0 "[ . 1 . 2 . 3 . ]" 1
923 2 12 HIS HA 2 16 HIS HA 3.000 . 3.300 3.374 3.317 3.440 0.140 27 0 "[ . 1 . 2 . 3 . ]" 1
924 2 12 HIS HA 2 16 HIS QB 4.000 . 6.000 5.251 5.194 5.326 . 0 0 "[ . 1 . 2 . 3 . ]" 1
925 2 12 HIS HE1 2 16 HIS QB 4.000 . 5.000 4.177 3.909 4.329 . 0 0 "[ . 1 . 2 . 3 . ]" 1
926 2 12 HIS HE1 2 16 HIS HA 4.000 . 5.000 3.588 3.442 3.742 . 0 0 "[ . 1 . 2 . 3 . ]" 1
927 2 12 HIS QB 2 22 MET ME 4.000 . 5.500 3.177 2.417 3.344 . 0 0 "[ . 1 . 2 . 3 . ]" 1
928 2 12 HIS HE1 2 22 MET ME 4.000 . 5.500 3.557 3.306 4.367 . 0 0 "[ . 1 . 2 . 3 . ]" 1
929 2 12 HIS HA 2 36 ILE MG 4.000 . 6.500 4.471 4.332 4.768 . 0 0 "[ . 1 . 2 . 3 . ]" 1
930 2 12 HIS HB3 2 36 ILE MG 3.000 . 4.000 2.845 2.662 2.996 . 0 0 "[ . 1 . 2 . 3 . ]" 1
931 2 12 HIS HB2 2 36 ILE MG 3.000 . 4.000 2.386 2.241 2.747 . 0 0 "[ . 1 . 2 . 3 . ]" 1
932 2 12 HIS HD1 2 36 ILE MG 3.000 . 4.000 2.739 2.457 3.239 . 0 0 "[ . 1 . 2 . 3 . ]" 1
933 2 12 HIS HE1 2 37 VAL HA 4.000 . 5.000 3.063 2.872 3.292 . 0 0 "[ . 1 . 2 . 3 . ]" 1
934 2 12 HIS HE1 2 37 VAL QG 2.500 . 3.200 2.452 2.248 2.634 . 0 0 "[ . 1 . 2 . 3 . ]" 1
935 2 13 GLU HA 2 14 LYS HA 4.000 . 6.000 4.817 4.786 4.843 . 0 0 "[ . 1 . 2 . 3 . ]" 1
936 2 13 GLU HA 2 16 HIS HE1 4.000 . 5.000 4.357 3.965 4.580 . 0 0 "[ . 1 . 2 . 3 . ]" 1
937 2 14 LYS HA 2 15 TYR QD 4.000 . 5.000 4.669 4.575 4.758 . 0 0 "[ . 1 . 2 . 3 . ]" 1
938 2 14 LYS QB 2 15 TYR QD 3.000 . 3.300 2.457 2.288 2.551 . 0 0 "[ . 1 . 2 . 3 . ]" 1
939 2 14 LYS QE 2 15 TYR QD 4.000 . 5.000 4.169 3.338 4.498 . 0 0 "[ . 1 . 2 . 3 . ]" 1
940 2 14 LYS QD 2 15 TYR QD 4.000 . 5.000 4.124 3.942 4.429 . 0 0 "[ . 1 . 2 . 3 . ]" 1
941 2 14 LYS HA 2 15 TYR QE 4.000 . 5.000 4.892 4.811 5.001 0.001 23 0 "[ . 1 . 2 . 3 . ]" 1
942 2 14 LYS QD 2 15 TYR QE 2.500 . 2.700 2.726 2.590 2.897 0.197 24 0 "[ . 1 . 2 . 3 . ]" 1
943 2 14 LYS QB 2 15 TYR QE 3.000 . 3.300 2.403 2.319 2.524 . 0 0 "[ . 1 . 2 . 3 . ]" 1
944 2 14 LYS QE 2 15 TYR QE 2.500 . 2.700 2.593 2.274 2.782 0.082 38 0 "[ . 1 . 2 . 3 . ]" 1
945 2 15 TYR HA 2 16 HIS HD2 4.000 . 5.000 4.169 3.935 4.338 . 0 0 "[ . 1 . 2 . 3 . ]" 1
946 2 16 HIS HE1 2 42 LYS QD 3.000 . 3.300 2.373 2.287 2.545 . 0 0 "[ . 1 . 2 . 3 . ]" 1
947 2 16 HIS HE1 2 42 LYS QB 2.500 . 2.700 2.789 2.504 2.882 0.182 28 0 "[ . 1 . 2 . 3 . ]" 1
948 2 16 HIS HE1 2 42 LYS QE 4.000 . 6.000 4.026 3.542 4.407 . 0 0 "[ . 1 . 2 . 3 . ]" 1
949 2 16 HIS HE1 2 42 LYS QG 4.000 . 5.000 3.786 3.554 4.130 . 0 0 "[ . 1 . 2 . 3 . ]" 1
950 2 16 HIS HE1 2 42 LYS HA 4.000 . 6.000 5.805 5.541 5.889 . 0 0 "[ . 1 . 2 . 3 . ]" 1
951 2 17 SER QB 2 21 ALA MB 2.500 . 3.200 2.122 2.054 2.218 . 0 0 "[ . 1 . 2 . 3 . ]" 1
952 2 17 SER HA 2 21 ALA MB 3.000 . 3.800 3.876 3.798 3.960 0.160 26 0 "[ . 1 . 2 . 3 . ]" 1
953 2 17 SER QB 2 22 MET QG 3.000 . 3.300 3.233 2.453 3.402 0.102 25 0 "[ . 1 . 2 . 3 . ]" 1
954 2 18 ASN HA 2 21 ALA MB 4.000 . 6.500 4.632 4.508 4.754 . 0 0 "[ . 1 . 2 . 3 . ]" 1
955 2 18 ASN HA 2 37 VAL QG 4.000 . 5.500 3.339 2.998 3.565 . 0 0 "[ . 1 . 2 . 3 . ]" 1
956 2 19 TRP HD1 2 20 ARG QG 4.000 . 6.000 4.031 3.796 4.231 . 0 0 "[ . 1 . 2 . 3 . ]" 1
957 2 19 TRP HH2 2 20 ARG QB 4.000 . 6.000 4.949 4.865 5.168 . 0 0 "[ . 1 . 2 . 3 . ]" 1
958 2 19 TRP HH2 2 20 ARG QG 4.000 . 6.000 3.052 2.974 3.552 . 0 0 "[ . 1 . 2 . 3 . ]" 1
959 2 19 TRP HH2 2 20 ARG QD 4.000 . 6.000 4.372 3.961 4.814 . 0 0 "[ . 1 . 2 . 3 . ]" 1
960 2 19 TRP HZ2 2 20 ARG QD 4.000 . 6.000 3.643 3.052 4.398 . 0 0 "[ . 1 . 2 . 3 . ]" 1
961 2 19 TRP HZ3 2 20 ARG HA 3.000 . 3.300 3.255 3.061 3.370 0.070 11 0 "[ . 1 . 2 . 3 . ]" 1
962 2 19 TRP HA 2 22 MET QB 3.000 . 3.300 2.616 2.330 2.849 . 0 0 "[ . 1 . 2 . 3 . ]" 1
963 2 19 TRP HA 2 22 MET QG 4.000 . 5.000 3.536 3.303 4.074 . 0 0 "[ . 1 . 2 . 3 . ]" 1
964 2 19 TRP HA 2 22 MET ME 2.500 . 3.200 2.083 2.032 2.650 . 0 0 "[ . 1 . 2 . 3 . ]" 1
965 2 19 TRP QB 2 22 MET ME 4.000 . 5.500 3.100 2.993 3.465 . 0 0 "[ . 1 . 2 . 3 . ]" 1
966 2 19 TRP HD1 2 22 MET ME 4.000 . 6.000 5.297 5.089 6.043 0.043 31 0 "[ . 1 . 2 . 3 . ]" 1
967 2 19 TRP HH2 2 23 ALA MB 4.000 . 5.500 4.787 4.407 4.970 . 0 0 "[ . 1 . 2 . 3 . ]" 1
968 2 19 TRP HE3 2 23 ALA MB 2.500 . 3.200 2.368 2.254 2.533 . 0 0 "[ . 1 . 2 . 3 . ]" 1
969 2 19 TRP HZ3 2 23 ALA MB 2.500 . 3.200 2.868 2.502 3.068 . 0 0 "[ . 1 . 2 . 3 . ]" 1
970 2 19 TRP HH2 2 30 PRO HA 4.000 . 5.000 4.866 4.655 5.041 0.041 20 0 "[ . 1 . 2 . 3 . ]" 1
971 2 19 TRP HH2 2 30 PRO QB 4.000 . 5.000 3.342 3.114 3.614 . 0 0 "[ . 1 . 2 . 3 . ]" 1
972 2 19 TRP HH2 2 30 PRO QG 4.000 . 5.000 3.376 2.586 4.457 . 0 0 "[ . 1 . 2 . 3 . ]" 1
973 2 19 TRP HZ2 2 30 PRO HA 4.000 . 6.000 5.994 5.809 6.106 0.106 9 0 "[ . 1 . 2 . 3 . ]" 1
974 2 19 TRP HZ2 2 30 PRO QB 4.000 . 6.000 4.232 4.034 4.467 . 0 0 "[ . 1 . 2 . 3 . ]" 1
975 2 19 TRP HZ3 2 30 PRO HA 3.000 . 3.300 2.991 2.778 3.249 . 0 0 "[ . 1 . 2 . 3 . ]" 1
976 2 19 TRP HZ3 2 30 PRO QB 4.000 . 5.000 2.779 2.493 3.076 . 0 0 "[ . 1 . 2 . 3 . ]" 1
977 2 19 TRP HZ3 2 30 PRO QG 4.000 . 5.000 3.033 2.300 4.175 . 0 0 "[ . 1 . 2 . 3 . ]" 1
978 2 19 TRP HE3 2 30 PRO HA 3.000 . 3.300 2.541 2.383 2.720 . 0 0 "[ . 1 . 2 . 3 . ]" 1
979 2 19 TRP HE3 2 30 PRO QB 4.000 . 5.000 3.363 3.129 3.614 . 0 0 "[ . 1 . 2 . 3 . ]" 1
980 2 19 TRP HA 2 33 ALA HA 4.000 . 5.000 4.164 4.033 4.487 . 0 0 "[ . 1 . 2 . 3 . ]" 1
981 2 19 TRP HD1 2 33 ALA MB 4.000 . 6.500 5.226 5.158 5.311 . 0 0 "[ . 1 . 2 . 3 . ]" 1
982 2 19 TRP HA 2 33 ALA MB 2.500 . 3.200 2.339 2.276 2.532 . 0 0 "[ . 1 . 2 . 3 . ]" 1
983 2 19 TRP QB 2 33 ALA MB 3.000 . 4.000 2.097 2.038 2.220 . 0 0 "[ . 1 . 2 . 3 . ]" 1
984 2 19 TRP HE3 2 33 ALA MB 2.500 . 3.200 2.354 2.220 2.564 . 0 0 "[ . 1 . 2 . 3 . ]" 1
985 2 19 TRP HZ3 2 33 ALA MB 4.000 . 5.500 4.149 3.961 4.345 . 0 0 "[ . 1 . 2 . 3 . ]" 1
986 2 19 TRP HA 2 34 LYS HA 4.000 . 5.000 4.402 4.175 4.606 . 0 0 "[ . 1 . 2 . 3 . ]" 1
987 2 19 TRP QB 2 34 LYS HA 3.000 . 3.300 2.271 2.163 2.467 . 0 0 "[ . 1 . 2 . 3 . ]" 1
988 2 19 TRP HD1 2 34 LYS QG 4.000 . 5.000 3.397 3.022 4.301 . 0 0 "[ . 1 . 2 . 3 . ]" 1
989 2 19 TRP HD1 2 34 LYS QB 4.000 . 5.000 5.010 4.783 5.156 0.156 17 0 "[ . 1 . 2 . 3 . ]" 1
990 2 19 TRP HD1 2 34 LYS HA 4.000 . 5.000 4.051 3.866 4.279 . 0 0 "[ . 1 . 2 . 3 . ]" 1
991 2 19 TRP HZ2 2 34 LYS QD 4.000 . 5.000 4.319 3.839 5.087 0.087 11 0 "[ . 1 . 2 . 3 . ]" 1
992 2 19 TRP HE3 2 34 LYS QG 4.000 . 6.000 3.374 3.134 3.813 . 0 0 "[ . 1 . 2 . 3 . ]" 1
993 2 19 TRP HA 2 36 ILE MD 4.000 . 6.500 4.968 4.680 5.288 . 0 0 "[ . 1 . 2 . 3 . ]" 1
994 2 19 TRP HA 2 37 VAL QG 2.500 . 3.200 3.173 2.901 3.321 0.121 38 0 "[ . 1 . 2 . 3 . ]" 1
995 2 19 TRP HB2 2 37 VAL QG 3.000 . 4.000 3.389 3.245 3.567 . 0 0 "[ . 1 . 2 . 3 . ]" 1
996 2 19 TRP HB3 2 37 VAL QG 3.000 . 4.000 2.191 2.064 2.398 . 0 0 "[ . 1 . 2 . 3 . ]" 1
997 2 19 TRP HD1 2 37 VAL QG 3.000 . 3.800 3.063 2.756 3.457 . 0 0 "[ . 1 . 2 . 3 . ]" 1
998 2 20 ARG HA 2 23 ALA MB 2.500 . 3.200 2.611 2.464 2.734 . 0 0 "[ . 1 . 2 . 3 . ]" 1
999 2 20 ARG HA 2 21 ALA MB 4.000 . 6.500 5.022 4.999 5.047 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1000 2 20 ARG HA 2 33 ALA MB 4.000 . 6.500 4.240 4.082 4.530 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1001 2 20 ARG QB 2 23 ALA MB 4.000 . 6.500 4.158 4.040 4.319 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1002 2 21 ALA MB 2 22 MET HA 4.000 . 6.500 3.798 3.758 3.846 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1003 2 21 ALA MB 2 24 SER QB 4.000 . 5.500 4.298 4.161 4.484 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1004 2 21 ALA HA 2 24 SER QB 3.000 . 3.300 3.027 2.850 3.247 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1005 2 22 MET HA 2 25 ASP QB 3.000 . 3.300 2.319 2.198 2.475 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1006 2 22 MET QG 2 26 PHE QE 4.000 . 6.000 3.834 3.295 4.245 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1007 2 22 MET HA 2 26 PHE QD 2.500 . 3.200 3.180 3.028 3.269 0.069 24 0 "[ . 1 . 2 . 3 . ]" 1
1008 2 22 MET QB 2 26 PHE QD 4.000 . 5.000 3.347 3.115 3.560 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1009 2 22 MET ME 2 36 ILE MG 3.000 . 4.000 2.658 2.361 3.313 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1010 2 23 ALA MB 2 24 SER QB 4.000 . 6.500 3.895 3.621 4.301 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1011 2 23 ALA MB 2 24 SER HA 4.000 . 5.500 3.837 3.776 3.878 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1012 2 23 ALA MB 2 26 PHE QB 4.000 . 5.500 5.203 5.034 5.376 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1013 2 23 ALA MB 2 27 ASN HA 4.000 . 6.500 4.334 4.206 4.487 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1014 2 23 ALA MB 2 28 LEU HA 4.000 . 6.500 5.110 4.967 5.257 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1015 2 23 ALA MB 2 28 LEU QD 4.000 . 6.000 4.813 4.694 4.912 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1016 2 23 ALA HA 2 28 LEU HA 4.000 . 6.000 5.016 4.881 5.186 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1017 2 23 ALA HA 2 28 LEU MD2 4.000 . 5.500 5.493 5.337 5.621 0.121 12 0 "[ . 1 . 2 . 3 . ]" 1
1018 2 23 ALA HA 2 28 LEU MD1 4.000 . 5.500 4.179 3.953 4.393 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1019 2 23 ALA HA 2 28 LEU QB 3.000 . 3.300 2.923 2.781 3.137 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1020 2 23 ALA HA 2 33 ALA MB 3.000 . 3.800 2.649 2.382 2.888 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1021 2 23 ALA MB 2 33 ALA MB 4.000 . 6.000 2.264 2.047 2.469 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1022 2 24 SER QB 2 27 ASN HA 4.000 . 5.000 5.030 4.909 5.120 0.120 24 0 "[ . 1 . 2 . 3 . ]" 1
1023 2 24 SER HA 2 27 ASN HA 4.000 . 5.000 3.044 2.941 3.171 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1024 2 26 PHE QB 2 28 LEU MD1 3.000 . 3.800 2.050 1.984 2.236 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1025 2 26 PHE QB 2 28 LEU MD2 3.000 . 3.800 3.484 3.133 3.718 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1026 2 26 PHE QB 2 28 LEU HG 3.000 . 3.300 2.413 2.260 2.617 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1027 2 26 PHE QD 2 28 LEU QD 4.000 . 5.500 3.367 3.277 3.519 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1028 2 28 LEU MD2 2 29 PRO QD 4.000 . 5.500 2.507 2.293 2.836 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1029 2 28 LEU MD1 2 29 PRO QD 4.000 . 5.500 4.073 3.978 4.329 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1030 2 28 LEU QB 2 29 PRO QD 4.000 . 6.000 2.283 2.228 2.565 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1031 2 28 LEU QD 2 29 PRO QG 4.000 . 5.500 3.921 3.712 4.334 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1032 2 28 LEU HA 2 33 ALA MB 4.000 . 6.500 5.873 5.670 6.049 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1033 2 29 PRO QD 2 32 VAL QG 3.000 . 4.000 2.781 2.558 3.004 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1034 2 30 PRO HA 2 33 ALA MB 2.500 . 3.200 2.553 2.368 2.803 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1035 2 31 VAL HA 2 34 LYS QB 3.000 . 3.300 2.684 2.494 2.888 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1036 2 32 VAL HA 2 35 GLU QB 3.000 . 3.300 2.934 2.831 3.065 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1037 2 33 ALA MB 2 34 LYS HA 4.000 . 5.000 3.824 3.771 3.876 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1038 2 33 ALA HA 2 36 ILE HB 3.000 . 3.500 3.443 3.216 3.531 0.031 14 0 "[ . 1 . 2 . 3 . ]" 1
1039 2 33 ALA HA 2 36 ILE QG 3.000 . 3.300 3.114 2.692 3.329 0.029 6 0 "[ . 1 . 2 . 3 . ]" 1
1040 2 33 ALA HA 2 36 ILE MG 4.000 . 5.500 4.642 4.471 4.736 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1041 2 33 ALA HA 2 36 ILE MD 2.500 . 3.200 2.733 2.443 2.963 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1042 2 33 ALA MB 2 36 ILE MG 4.000 . 7.000 5.205 5.003 5.299 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1043 2 33 ALA HA 2 37 VAL QG 4.000 . 6.500 4.612 4.427 4.760 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1044 2 33 ALA MB 2 37 VAL QG 4.000 . 7.000 3.995 3.848 4.142 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1045 2 34 LYS HA 2 37 VAL HB 3.000 . 3.300 3.019 2.739 3.239 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1046 2 34 LYS HA 2 37 VAL QG 3.000 . 3.300 2.762 2.474 3.037 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1047 2 35 GLU HA 2 38 ALA MB 2.500 . 3.200 2.517 2.308 2.672 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1048 2 36 ILE MG 2 37 VAL HA 4.000 . 6.500 3.545 3.363 3.735 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1049 2 36 ILE MG 2 37 VAL MG1 4.000 . 6.000 5.029 4.876 5.224 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1050 2 36 ILE HA 2 39 SER QB 3.000 . 3.300 2.964 2.664 3.249 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1051 2 36 ILE HA 2 39 SER HA 4.000 . 6.000 5.459 5.261 5.742 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1052 2 37 VAL QG 2 38 ALA HA 4.000 . 5.500 3.463 3.356 3.629 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1053 2 37 VAL HA 2 40 CYS QB 3.000 . 3.300 2.604 2.502 2.750 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1054 2 37 VAL QG 2 43 CYS HA 4.000 . 5.500 4.190 3.961 4.410 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1055 2 37 VAL QG 2 43 CYS QB 3.000 . 3.800 2.130 2.016 2.257 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1056 2 37 VAL QG 2 44 GLN HA 4.000 . 6.500 2.955 2.524 3.396 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1057 2 38 ALA MB 2 39 SER HA 4.000 . 5.500 3.867 3.815 3.919 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1058 2 40 CYS QB 2 43 CYS QB 3.000 . 3.300 2.337 2.253 2.436 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1059 2 40 CYS QB 2 43 CYS HA 4.000 . 6.000 4.998 4.911 5.112 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1060 2 42 LYS HA 2 45 LEU HG 4.000 . 6.000 5.906 5.447 6.132 0.132 27 0 "[ . 1 . 2 . 3 . ]" 1
1061 2 43 CYS QB 2 44 GLN HA 4.000 . 5.000 3.967 3.806 4.040 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1062 2 43 CYS HA 2 44 GLN HA 4.000 . 5.000 4.759 4.691 4.808 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1063 2 43 CYS HA 2 46 LYS QG 4.000 . 5.000 4.543 2.931 5.169 0.169 6 0 "[ . 1 . 2 . 3 . ]" 1
1064 2 43 CYS HA 2 46 LYS QB 4.000 . 5.000 4.237 2.434 5.191 0.191 6 0 "[ . 1 . 2 . 3 . ]" 1
1065 2 44 GLN HA 2 45 LEU QD 4.000 . 5.500 4.504 4.233 4.880 . 0 0 "[ . 1 . 2 . 3 . ]" 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 73
_Distance_constraint_stats_list.Viol_count 868
_Distance_constraint_stats_list.Viol_total 19905.924
_Distance_constraint_stats_list.Viol_max 3.419
_Distance_constraint_stats_list.Viol_rms 0.5881
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1888
_Distance_constraint_stats_list.Viol_average_violations_only 0.6035
_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 1 PHE 151.800 1.781 1 38 [+********************************-****]
1 2 LEU 4.653 0.207 38 0 "[ . 1 . 2 . 3 . ]"
1 5 ILE 207.817 3.137 25 38 [*********-**************+*************]
1 28 LEU 9.458 0.577 34 1 "[ . 1 . 2 . 3 +. ]"
1 29 PRO 47.162 1.697 15 38 [*******-******+***********************]
1 31 VAL 121.599 3.137 25 38 [************************+***-*********]
1 32 VAL 8.388 0.209 25 0 "[ . 1 . 2 . 3 . ]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 37 VAL 110.693 3.419 26 38 [*************************+******-*****]
1 38 ALA 20.017 1.397 4 16 "[ +. * **** .*-* ** .** 3* * . * ]"
1 39 SER 87.152 2.937 12 38 [***********+****************-*********]
1 44 GLN 217.855 3.419 26 38 [*************************+******-*****]
1 45 LEU 5.487 0.202 33 0 "[ . 1 . 2 . 3 . ]"
1 49 ALA 3.682 0.256 8 0 "[ . 1 . 2 . 3 . ]"
1 50 MET 2.580 0.251 24 0 "[ . 1 . 2 . 3 . ]"
1 51 HIS 1.988 0.239 14 0 "[ . 1 . 2 . 3 . ]"
1 54 VAL 0.182 0.069 32 0 "[ . 1 . 2 . 3 . ]"
2 1 PHE 5.360 0.209 25 0 "[ . 1 . 2 . 3 . ]"
2 2 LEU 3.847 0.183 30 0 "[ . 1 . 2 . 3 . ]"
2 5 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 28 LEU 2.835 0.143 15 0 "[ . 1 . 2 . 3 . ]"
2 29 PRO 4.843 0.207 38 0 "[ . 1 . 2 . 3 . ]"
2 31 VAL 7.796 0.218 5 0 "[ . 1 . 2 . 3 . ]"
2 32 VAL 8.561 0.283 16 0 "[ . 1 . 2 . 3 . ]"
2 35 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 38 ALA 0.007 0.007 34 0 "[ . 1 . 2 . 3 . ]"
2 45 LEU 5.487 0.202 33 0 "[ . 1 . 2 . 3 . ]"
2 49 ALA 3.682 0.256 8 0 "[ . 1 . 2 . 3 . ]"
2 50 MET 2.580 0.251 24 0 "[ . 1 . 2 . 3 . ]"
2 51 HIS 1.988 0.239 14 0 "[ . 1 . 2 . 3 . ]"
2 54 VAL 0.182 0.069 32 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 1 PHE HZ 2 28 LEU MD2 3.000 . 3.800 3.874 3.783 3.943 0.143 15 0 "[ . 1 . 2 . 3 . ]" 2
2 1 28 LEU QD 2 1 PHE HZ 3.000 . 3.800 3.796 3.724 3.900 0.100 25 0 "[ . 1 . 2 . 3 . ]" 2
3 1 1 PHE QE 2 32 VAL MG2 3.000 . 3.800 2.103 2.017 2.215 . 0 0 "[ . 1 . 2 . 3 . ]" 2
4 1 32 VAL MG2 2 1 PHE QE 3.000 . 3.800 2.094 2.026 2.285 . 0 0 "[ . 1 . 2 . 3 . ]" 2
5 1 1 PHE QD 2 32 VAL HA 4.000 . 5.000 5.133 5.033 5.283 0.283 16 0 "[ . 1 . 2 . 3 . ]" 2
6 1 32 VAL HA 2 1 PHE QD 4.000 . 5.000 5.126 5.022 5.209 0.209 25 0 "[ . 1 . 2 . 3 . ]" 2
7 1 1 PHE QD 2 32 VAL MG2 2.500 . 3.200 2.746 2.455 2.987 . 0 0 "[ . 1 . 2 . 3 . ]" 2
8 1 32 VAL MG2 2 1 PHE QD 2.500 . 3.200 2.736 2.491 2.990 . 0 0 "[ . 1 . 2 . 3 . ]" 2
9 1 1 PHE QD 2 28 LEU MD2 4.000 . 5.500 5.330 5.082 5.507 0.007 36 0 "[ . 1 . 2 . 3 . ]" 2
10 1 28 LEU QD 2 1 PHE QD 4.000 . 5.500 5.103 4.912 5.205 . 0 0 "[ . 1 . 2 . 3 . ]" 2
11 1 29 PRO QG 2 1 PHE QB 4.000 . 5.000 2.667 2.458 2.900 . 0 0 "[ . 1 . 2 . 3 . ]" 2
12 1 1 PHE QB 2 29 PRO QG 4.000 . 5.000 2.676 2.388 2.859 . 0 0 "[ . 1 . 2 . 3 . ]" 2
13 1 2 LEU QD 2 29 PRO HA 4.000 . 6.500 4.376 3.942 4.717 . 0 0 "[ . 1 . 2 . 3 . ]" 2
14 1 29 PRO HA 2 2 LEU QD 4.000 . 6.500 4.362 3.921 4.619 . 0 0 "[ . 1 . 2 . 3 . ]" 2
15 1 2 LEU QD 2 29 PRO QG 3.000 . 3.800 3.841 3.673 3.999 0.199 29 0 "[ . 1 . 2 . 3 . ]" 2
16 1 29 PRO QG 2 2 LEU QD 3.000 . 3.800 3.837 3.699 3.946 0.146 37 0 "[ . 1 . 2 . 3 . ]" 2
17 1 2 LEU HG 2 29 PRO QD 4.000 . 6.000 6.032 5.719 6.207 0.207 38 0 "[ . 1 . 2 . 3 . ]" 2
18 1 29 PRO QD 2 2 LEU HG 4.000 . 6.000 6.024 5.837 6.183 0.183 30 0 "[ . 1 . 2 . 3 . ]" 2
19 1 5 ILE MD 2 29 PRO QG 4.000 . 5.500 5.009 4.728 5.544 0.044 12 0 "[ . 1 . 2 . 3 . ]" 2
20 1 29 PRO QG 2 5 ILE MD 4.000 . 5.500 5.004 4.704 5.493 . 0 0 "[ . 1 . 2 . 3 . ]" 2
21 1 5 ILE MD 2 31 VAL HA 4.000 . 5.000 4.408 4.010 4.781 . 0 0 "[ . 1 . 2 . 3 . ]" 2
22 1 31 VAL HA 2 5 ILE MD 4.000 . 5.000 4.399 3.882 4.684 . 0 0 "[ . 1 . 2 . 3 . ]" 2
23 1 31 VAL QG 2 31 VAL QG 2.500 . 3.200 3.314 3.204 3.418 0.218 5 0 "[ . 1 . 2 . 3 . ]" 2
24 1 31 VAL HB 2 32 VAL QG 4.000 . 5.500 4.415 4.145 4.783 . 0 0 "[ . 1 . 2 . 3 . ]" 2
25 1 31 VAL HA 2 32 VAL QG 4.000 . 5.500 5.583 5.395 5.728 0.228 34 0 "[ . 1 . 2 . 3 . ]" 2
26 1 32 VAL QG 2 31 VAL HB 4.000 . 5.500 4.425 4.148 4.876 . 0 0 "[ . 1 . 2 . 3 . ]" 2
27 1 32 VAL QG 2 31 VAL HA 4.000 . 5.500 5.591 5.490 5.690 0.190 21 0 "[ . 1 . 2 . 3 . ]" 2
28 1 31 VAL HA 2 35 GLU QG 3.000 . 3.300 2.299 2.223 2.418 . 0 0 "[ . 1 . 2 . 3 . ]" 2
29 1 35 GLU QG 2 31 VAL HA 3.000 . 3.300 2.303 2.216 2.391 . 0 0 "[ . 1 . 2 . 3 . ]" 2
30 1 31 VAL QG 2 35 GLU QG 3.000 . 3.800 2.126 2.014 2.280 . 0 0 "[ . 1 . 2 . 3 . ]" 2
31 1 35 GLU QG 2 31 VAL QG 3.000 . 3.800 2.127 2.000 2.278 . 0 0 "[ . 1 . 2 . 3 . ]" 2
32 1 32 VAL HA 2 32 VAL QG 4.000 . 5.500 4.965 4.749 5.139 . 0 0 "[ . 1 . 2 . 3 . ]" 2
33 1 32 VAL QG 2 32 VAL HA 4.000 . 5.500 4.968 4.798 5.161 . 0 0 "[ . 1 . 2 . 3 . ]" 2
34 1 32 VAL QG 2 29 PRO QG 4.000 . 5.500 5.264 4.949 5.589 0.089 12 0 "[ . 1 . 2 . 3 . ]" 2
35 1 29 PRO QG 2 32 VAL QG 4.000 . 5.500 5.260 4.941 5.574 0.074 15 0 "[ . 1 . 2 . 3 . ]" 2
36 1 35 GLU QG 2 35 GLU QB 3.000 . 3.300 2.673 2.321 3.062 . 0 0 "[ . 1 . 2 . 3 . ]" 2
37 1 35 GLU QB 2 35 GLU QG 3.000 . 3.300 2.669 2.338 3.058 . 0 0 "[ . 1 . 2 . 3 . ]" 2
38 1 35 GLU HA 2 38 ALA MB 4.000 . 5.500 3.596 3.429 3.731 . 0 0 "[ . 1 . 2 . 3 . ]" 2
39 1 38 ALA MB 2 35 GLU HA 4.000 . 5.500 3.596 3.456 3.743 . 0 0 "[ . 1 . 2 . 3 . ]" 2
40 1 38 ALA HA 2 38 ALA MB 3.000 . 3.800 3.595 3.320 3.807 0.007 34 0 "[ . 1 . 2 . 3 . ]" 2
41 1 38 ALA MB 2 38 ALA HA 3.000 . 3.800 3.604 3.409 3.798 . 0 0 "[ . 1 . 2 . 3 . ]" 2
42 1 45 LEU HG 2 45 LEU QD 4.000 . 5.500 4.396 3.921 5.528 0.028 29 0 "[ . 1 . 2 . 3 . ]" 2
43 1 45 LEU QD 2 45 LEU HG 4.000 . 5.500 4.398 3.936 5.560 0.060 29 0 "[ . 1 . 2 . 3 . ]" 2
44 1 45 LEU HA 2 45 LEU QD 3.000 . 3.800 3.844 3.517 3.998 0.198 33 0 "[ . 1 . 2 . 3 . ]" 2
45 1 45 LEU QD 2 45 LEU HA 3.000 . 3.800 3.846 3.504 4.002 0.202 33 0 "[ . 1 . 2 . 3 . ]" 2
46 1 45 LEU QD 2 45 LEU QD 2.500 . 3.200 2.197 1.812 3.214 0.014 29 0 "[ . 1 . 2 . 3 . ]" 2
47 1 49 ALA HA 2 49 ALA MB 3.000 . 4.000 3.848 2.319 4.256 0.256 8 0 "[ . 1 . 2 . 3 . ]" 2
48 1 49 ALA MB 2 49 ALA HA 3.000 . 4.000 3.842 2.343 4.255 0.255 24 0 "[ . 1 . 2 . 3 . ]" 2
49 1 50 MET HA 2 50 MET QB 4.000 . 5.500 5.388 4.342 5.751 0.251 24 0 "[ . 1 . 2 . 3 . ]" 2
50 1 50 MET QB 2 50 MET HA 4.000 . 5.500 5.390 4.309 5.734 0.234 24 0 "[ . 1 . 2 . 3 . ]" 2
51 1 51 HIS HA 2 51 HIS QB 4.000 . 5.500 5.271 3.827 5.723 0.223 14 0 "[ . 1 . 2 . 3 . ]" 2
52 1 51 HIS QB 2 51 HIS HA 4.000 . 5.500 5.265 3.856 5.739 0.239 14 0 "[ . 1 . 2 . 3 . ]" 2
53 1 54 VAL HB 2 54 VAL QG 4.000 . 5.500 4.961 3.888 5.569 0.069 32 0 "[ . 1 . 2 . 3 . ]" 2
54 1 54 VAL QG 2 54 VAL HB 4.000 . 5.500 4.961 3.871 5.556 0.056 32 0 "[ . 1 . 2 . 3 . ]" 2
55 1 1 PHE QB 1 28 LEU QD 4.000 . 5.500 5.662 5.241 6.077 0.577 34 1 "[ . 1 . 2 . 3 +. ]" 2
56 1 1 PHE HA 1 29 PRO QG 4.000 . 6.000 7.134 6.715 7.697 1.697 15 38 [*******-******+***********************] 2
57 1 1 PHE QD 1 28 LEU QD 4.000 . 5.500 5.403 5.085 5.965 0.465 34 0 "[ . 1 . 2 . 3 . ]" 2
58 1 1 PHE HA 1 28 LEU QD 4.000 . 5.500 4.410 3.965 5.056 . 0 0 "[ . 1 . 2 . 3 . ]" 2
59 1 1 PHE QD 1 31 VAL QG 4.000 . 6.000 5.051 4.618 5.343 . 0 0 "[ . 1 . 2 . 3 . ]" 2
60 1 1 PHE QE 1 31 VAL QG 4.000 . 6.000 4.477 4.006 4.903 . 0 0 "[ . 1 . 2 . 3 . ]" 2
61 1 1 PHE QD 1 5 ILE MG 4.000 . 5.500 6.374 6.180 6.570 1.070 2 38 [*+*******-****************************] 2
62 1 1 PHE QE 1 5 ILE MG 4.000 . 6.500 8.061 7.861 8.281 1.781 1 38 [+********-****************************] 2
63 1 1 PHE QD 1 5 ILE MD 3.000 . 3.800 3.542 3.327 3.793 . 0 0 "[ . 1 . 2 . 3 . ]" 2
64 1 1 PHE QE 1 5 ILE MD 4.000 . 5.500 5.352 5.118 5.627 0.127 2 0 "[ . 1 . 2 . 3 . ]" 2
65 1 5 ILE HB 1 28 LEU QD 4.000 . 5.500 5.420 5.210 5.727 0.227 29 0 "[ . 1 . 2 . 3 . ]" 2
66 1 5 ILE MD 1 28 LEU QD 4.000 . 6.000 4.276 3.967 4.705 . 0 0 "[ . 1 . 2 . 3 . ]" 2
67 1 5 ILE HB 1 31 VAL QG 4.000 . 5.500 8.500 8.133 8.637 3.137 25 38 [************************+***-*********] 2
68 1 37 VAL QG 1 44 GLN QE 4.000 . 5.500 5.564 4.396 6.160 0.660 20 6 "[ *. * 1 .* + .* 3 - . ]" 2
69 1 37 VAL HA 1 44 GLN QE 4.000 . 5.000 7.722 6.189 8.419 3.419 26 38 [**************-**********+************] 2
70 1 38 ALA MB 1 44 GLN QE 4.000 . 5.500 4.026 2.731 5.111 . 0 0 "[ . 1 . 2 . 3 . ]" 2
71 1 38 ALA HA 1 44 GLN QE 3.000 . 3.500 3.906 1.927 4.897 1.397 4 16 "[ +. * **** .*-* ** .** 3* * . * ]" 2
72 1 39 SER HA 1 44 GLN QE 3.000 . 3.500 5.793 4.080 6.437 2.937 12 38 [***********+****************-*********] 2
73 1 44 GLN QE 1 45 LEU HG 4.000 . 6.500 3.594 2.820 4.616 . 0 0 "[ . 1 . 2 . 3 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 392
_Distance_constraint_stats_list.Viol_total 641.598
_Distance_constraint_stats_list.Viol_max 0.138
_Distance_constraint_stats_list.Viol_rms 0.0204
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0431
_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 3 ASP 4.278 0.138 26 0 "[ . 1 . 2 . 3 . ]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 5 ILE 0.631 0.077 7 0 "[ . 1 . 2 . 3 . ]"
1 6 ASP 0.231 0.049 18 0 "[ . 1 . 2 . 3 . ]"
1 7 LYS 5.182 0.138 26 0 "[ . 1 . 2 . 3 . ]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 9 GLN 0.631 0.077 7 0 "[ . 1 . 2 . 3 . ]"
1 10 GLU 0.231 0.049 18 0 "[ . 1 . 2 . 3 . ]"
1 11 GLU 0.904 0.121 5 0 "[ . 1 . 2 . 3 . ]"
1 12 HIS 0.265 0.056 2 0 "[ . 1 . 2 . 3 . ]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 20 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 22 MET 0.265 0.056 2 0 "[ . 1 . 2 . 3 . ]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 32 VAL 0.366 0.056 33 0 "[ . 1 . 2 . 3 . ]"
1 33 ALA 1.833 0.106 34 0 "[ . 1 . 2 . 3 . ]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 36 ILE 0.366 0.056 33 0 "[ . 1 . 2 . 3 . ]"
1 37 VAL 1.833 0.106 34 0 "[ . 1 . 2 . 3 . ]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 3 ASP 4.283 0.137 29 0 "[ . 1 . 2 . 3 . ]"
2 4 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 5 ILE 0.588 0.068 7 0 "[ . 1 . 2 . 3 . ]"
2 6 ASP 0.173 0.049 18 0 "[ . 1 . 2 . 3 . ]"
2 7 LYS 5.191 0.137 29 0 "[ . 1 . 2 . 3 . ]"
2 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 9 GLN 0.588 0.068 7 0 "[ . 1 . 2 . 3 . ]"
2 10 GLU 0.173 0.049 18 0 "[ . 1 . 2 . 3 . ]"
2 11 GLU 0.909 0.123 5 0 "[ . 1 . 2 . 3 . ]"
2 12 HIS 0.158 0.043 35 0 "[ . 1 . 2 . 3 . ]"
2 13 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 14 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 20 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 21 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 22 MET 0.158 0.043 35 0 "[ . 1 . 2 . 3 . ]"
2 24 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 25 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 26 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 31 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 32 VAL 0.406 0.067 38 0 "[ . 1 . 2 . 3 . ]"
2 33 ALA 1.859 0.114 33 0 "[ . 1 . 2 . 3 . ]"
2 34 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 35 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
2 36 ILE 0.406 0.067 38 0 "[ . 1 . 2 . 3 . ]"
2 37 VAL 1.859 0.114 33 0 "[ . 1 . 2 . 3 . ]"
2 38 ALA 0.000 0.000 . 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 ASP O 1 7 LYS N 3.300 2.300 3.500 3.527 3.451 3.588 0.088 6 0 "[ . 1 . 2 . 3 . ]" 3
2 1 3 ASP O 1 7 LYS H 2.300 . 2.500 2.581 2.523 2.638 0.138 26 0 "[ . 1 . 2 . 3 . ]" 3
3 1 4 GLY O 1 8 ALA N 3.300 2.300 3.500 2.874 2.733 3.061 . 0 0 "[ . 1 . 2 . 3 . ]" 3
4 1 4 GLY O 1 8 ALA H 2.300 . 2.500 1.909 1.760 2.089 . 0 0 "[ . 1 . 2 . 3 . ]" 3
5 1 5 ILE O 1 9 GLN N 3.300 2.300 3.500 2.416 2.365 2.514 . 0 0 "[ . 1 . 2 . 3 . ]" 3
6 1 5 ILE O 1 9 GLN H 1.800 . 2.100 1.491 1.423 1.581 0.077 7 0 "[ . 1 . 2 . 3 . ]" 3
7 1 6 ASP O 1 10 GLU N 3.300 2.300 3.500 3.384 3.277 3.445 . 0 0 "[ . 1 . 2 . 3 . ]" 3
8 1 6 ASP O 1 10 GLU H 2.300 . 2.500 2.476 2.369 2.549 0.049 18 0 "[ . 1 . 2 . 3 . ]" 3
9 1 7 LYS O 1 11 GLU N 3.300 2.300 3.500 3.440 3.377 3.536 0.036 5 0 "[ . 1 . 2 . 3 . ]" 3
10 1 7 LYS O 1 11 GLU H 2.300 . 2.500 2.512 2.433 2.621 0.121 5 0 "[ . 1 . 2 . 3 . ]" 3
11 1 8 ALA O 1 12 HIS N 3.300 2.300 3.500 2.971 2.828 3.100 . 0 0 "[ . 1 . 2 . 3 . ]" 3
12 1 8 ALA O 1 12 HIS H 2.300 . 2.500 2.045 1.888 2.179 . 0 0 "[ . 1 . 2 . 3 . ]" 3
13 1 9 GLN O 1 13 GLU N 3.300 2.300 3.500 3.026 2.895 3.196 . 0 0 "[ . 1 . 2 . 3 . ]" 3
14 1 9 GLN O 1 13 GLU H 2.300 . 2.500 2.070 1.924 2.263 . 0 0 "[ . 1 . 2 . 3 . ]" 3
15 1 10 GLU O 1 14 LYS N 3.300 2.300 3.500 3.025 2.931 3.160 . 0 0 "[ . 1 . 2 . 3 . ]" 3
16 1 10 GLU O 1 14 LYS H 2.300 . 2.500 2.069 1.988 2.207 . 0 0 "[ . 1 . 2 . 3 . ]" 3
17 1 12 HIS ND1 1 22 MET SD 3.000 2.500 4.000 3.701 3.315 3.861 . 0 0 "[ . 1 . 2 . 3 . ]" 3
18 1 12 HIS HD1 1 22 MET SD 2.000 . 3.000 2.883 2.405 3.056 0.056 2 0 "[ . 1 . 2 . 3 . ]" 3
19 1 20 ARG O 1 24 SER N 3.300 2.300 3.500 3.148 3.005 3.300 . 0 0 "[ . 1 . 2 . 3 . ]" 3
20 1 20 ARG O 1 24 SER H 2.300 . 2.500 2.199 2.045 2.341 . 0 0 "[ . 1 . 2 . 3 . ]" 3
21 1 21 ALA O 1 25 ASP N 3.300 2.300 3.500 2.762 2.610 2.941 . 0 0 "[ . 1 . 2 . 3 . ]" 3
22 1 21 ALA O 1 25 ASP H 2.300 . 2.500 1.836 1.682 2.008 . 0 0 "[ . 1 . 2 . 3 . ]" 3
23 1 22 MET O 1 26 PHE N 3.300 2.300 3.500 3.018 2.891 3.137 . 0 0 "[ . 1 . 2 . 3 . ]" 3
24 1 22 MET O 1 26 PHE H 2.300 . 2.500 2.073 1.957 2.198 . 0 0 "[ . 1 . 2 . 3 . ]" 3
25 1 31 VAL O 1 35 GLU N 3.300 2.300 3.500 2.913 2.777 3.082 . 0 0 "[ . 1 . 2 . 3 . ]" 3
26 1 31 VAL O 1 35 GLU H 2.300 . 2.500 2.019 1.864 2.186 . 0 0 "[ . 1 . 2 . 3 . ]" 3
27 1 32 VAL O 1 36 ILE N 3.300 2.300 3.500 3.382 3.266 3.453 . 0 0 "[ . 1 . 2 . 3 . ]" 3
28 1 32 VAL O 1 36 ILE H 2.300 . 2.500 2.480 2.371 2.556 0.056 33 0 "[ . 1 . 2 . 3 . ]" 3
29 1 33 ALA O 1 37 VAL N 3.300 2.300 3.500 3.469 3.392 3.528 0.028 34 0 "[ . 1 . 2 . 3 . ]" 3
30 1 33 ALA O 1 37 VAL H 2.300 . 2.500 2.545 2.464 2.606 0.106 34 0 "[ . 1 . 2 . 3 . ]" 3
31 1 34 LYS O 1 38 ALA N 3.300 2.300 3.500 3.079 2.829 3.221 . 0 0 "[ . 1 . 2 . 3 . ]" 3
32 1 34 LYS O 1 38 ALA H 2.300 . 2.500 2.166 1.916 2.318 . 0 0 "[ . 1 . 2 . 3 . ]" 3
33 2 3 ASP O 2 7 LYS N 3.300 2.300 3.500 3.528 3.463 3.595 0.095 29 0 "[ . 1 . 2 . 3 . ]" 3
34 2 3 ASP O 2 7 LYS H 2.300 . 2.500 2.582 2.527 2.637 0.137 29 0 "[ . 1 . 2 . 3 . ]" 3
35 2 4 GLY O 2 8 ALA N 3.300 2.300 3.500 2.871 2.731 3.077 . 0 0 "[ . 1 . 2 . 3 . ]" 3
36 2 4 GLY O 2 8 ALA H 2.300 . 2.500 1.906 1.753 2.107 . 0 0 "[ . 1 . 2 . 3 . ]" 3
37 2 5 ILE O 2 9 GLN N 3.300 2.300 3.500 2.416 2.374 2.494 . 0 0 "[ . 1 . 2 . 3 . ]" 3
38 2 5 ILE O 2 9 GLN H 1.800 . 2.100 1.491 1.432 1.555 0.068 7 0 "[ . 1 . 2 . 3 . ]" 3
39 2 6 ASP O 2 10 GLU N 3.300 2.300 3.500 3.384 3.305 3.444 . 0 0 "[ . 1 . 2 . 3 . ]" 3
40 2 6 ASP O 2 10 GLU H 2.300 . 2.500 2.476 2.400 2.549 0.049 18 0 "[ . 1 . 2 . 3 . ]" 3
41 2 7 LYS O 2 11 GLU N 3.300 2.300 3.500 3.441 3.367 3.534 0.034 5 0 "[ . 1 . 2 . 3 . ]" 3
42 2 7 LYS O 2 11 GLU H 2.300 . 2.500 2.512 2.423 2.623 0.123 5 0 "[ . 1 . 2 . 3 . ]" 3
43 2 8 ALA O 2 12 HIS N 3.300 2.300 3.500 2.968 2.819 3.093 . 0 0 "[ . 1 . 2 . 3 . ]" 3
44 2 8 ALA O 2 12 HIS H 2.300 . 2.500 2.041 1.875 2.172 . 0 0 "[ . 1 . 2 . 3 . ]" 3
45 2 9 GLN O 2 13 GLU N 3.300 2.300 3.500 3.024 2.885 3.204 . 0 0 "[ . 1 . 2 . 3 . ]" 3
46 2 9 GLN O 2 13 GLU H 2.300 . 2.500 2.068 1.915 2.268 . 0 0 "[ . 1 . 2 . 3 . ]" 3
47 2 10 GLU O 2 14 LYS N 3.300 2.300 3.500 3.021 2.918 3.158 . 0 0 "[ . 1 . 2 . 3 . ]" 3
48 2 10 GLU O 2 14 LYS H 2.300 . 2.500 2.066 1.973 2.206 . 0 0 "[ . 1 . 2 . 3 . ]" 3
49 2 12 HIS ND1 2 22 MET SD 3.000 2.500 4.000 3.697 3.279 3.844 . 0 0 "[ . 1 . 2 . 3 . ]" 3
50 2 12 HIS HD1 2 22 MET SD 2.000 . 3.000 2.879 2.389 3.043 0.043 35 0 "[ . 1 . 2 . 3 . ]" 3
51 2 20 ARG O 2 24 SER N 3.300 2.300 3.500 3.150 3.022 3.317 . 0 0 "[ . 1 . 2 . 3 . ]" 3
52 2 20 ARG O 2 24 SER H 2.300 . 2.500 2.202 2.074 2.362 . 0 0 "[ . 1 . 2 . 3 . ]" 3
53 2 21 ALA O 2 25 ASP N 3.300 2.300 3.500 2.764 2.595 2.886 . 0 0 "[ . 1 . 2 . 3 . ]" 3
54 2 21 ALA O 2 25 ASP H 2.300 . 2.500 1.839 1.695 1.952 . 0 0 "[ . 1 . 2 . 3 . ]" 3
55 2 22 MET O 2 26 PHE N 3.300 2.300 3.500 3.018 2.907 3.144 . 0 0 "[ . 1 . 2 . 3 . ]" 3
56 2 22 MET O 2 26 PHE H 2.300 . 2.500 2.075 1.970 2.203 . 0 0 "[ . 1 . 2 . 3 . ]" 3
57 2 31 VAL O 2 35 GLU N 3.300 2.300 3.500 2.917 2.777 3.066 . 0 0 "[ . 1 . 2 . 3 . ]" 3
58 2 31 VAL O 2 35 GLU H 2.300 . 2.500 2.024 1.864 2.171 . 0 0 "[ . 1 . 2 . 3 . ]" 3
59 2 32 VAL O 2 36 ILE N 3.300 2.300 3.500 3.384 3.289 3.468 . 0 0 "[ . 1 . 2 . 3 . ]" 3
60 2 32 VAL O 2 36 ILE H 2.300 . 2.500 2.480 2.387 2.567 0.067 38 0 "[ . 1 . 2 . 3 . ]" 3
61 2 33 ALA O 2 37 VAL N 3.300 2.300 3.500 3.470 3.401 3.544 0.044 33 0 "[ . 1 . 2 . 3 . ]" 3
62 2 33 ALA O 2 37 VAL H 2.300 . 2.500 2.545 2.485 2.614 0.114 33 0 "[ . 1 . 2 . 3 . ]" 3
63 2 34 LYS O 2 38 ALA N 3.300 2.300 3.500 3.078 2.837 3.219 . 0 0 "[ . 1 . 2 . 3 . ]" 3
64 2 34 LYS O 2 38 ALA H 2.300 . 2.500 2.166 1.930 2.317 . 0 0 "[ . 1 . 2 . 3 . ]" 3
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