NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
377610 |
1gbr   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1gbr
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 720
_Distance_constraint_stats_list.Viol_count 5205
_Distance_constraint_stats_list.Viol_total 21239.230
_Distance_constraint_stats_list.Viol_max 0.498
_Distance_constraint_stats_list.Viol_rms 0.0848
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0351
_Distance_constraint_stats_list.Viol_average_violations_only 0.1407
_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 10 MET 8.657 0.233 29 0 "[ . 1 . 2 . ]"
1 11 GLU 24.969 0.395 7 0 "[ . 1 . 2 . ]"
1 12 ALA 34.844 0.349 5 0 "[ . 1 . 2 . ]"
1 13 ILE 47.864 0.313 19 0 "[ . 1 . 2 . ]"
1 14 ALA 35.120 0.377 29 0 "[ . 1 . 2 . ]"
1 15 LYS 23.006 0.316 24 0 "[ . 1 . 2 . ]"
1 16 TYR 18.989 0.317 19 0 "[ . 1 . 2 . ]"
1 17 ASP 13.300 0.317 19 0 "[ . 1 . 2 . ]"
1 18 PHE 13.700 0.364 21 0 "[ . 1 . 2 . ]"
1 19 LYS 14.999 0.282 11 0 "[ . 1 . 2 . ]"
1 20 ALA 28.056 0.338 29 0 "[ . 1 . 2 . ]"
1 21 THR 3.054 0.338 29 0 "[ . 1 . 2 . ]"
1 22 ALA 12.301 0.428 20 0 "[ . 1 . 2 . ]"
1 23 ASP 14.270 0.428 20 0 "[ . 1 . 2 . ]"
1 24 ASP 14.917 0.407 2 0 "[ . 1 . 2 . ]"
1 25 GLU 13.007 0.215 26 0 "[ . 1 . 2 . ]"
1 26 LEU 14.278 0.281 8 0 "[ . 1 . 2 . ]"
1 27 SER 17.036 0.495 11 0 "[ . 1 . 2 . ]"
1 28 PHE 3.042 0.136 19 0 "[ . 1 . 2 . ]"
1 29 LYS 12.877 0.170 4 0 "[ . 1 . 2 . ]"
1 30 ARG 17.569 0.281 20 0 "[ . 1 . 2 . ]"
1 31 GLY 0.661 0.056 21 0 "[ . 1 . 2 . ]"
1 32 ASP 24.413 0.377 28 0 "[ . 1 . 2 . ]"
1 33 ILE 25.596 0.377 29 0 "[ . 1 . 2 . ]"
1 34 LEU 10.188 0.185 6 0 "[ . 1 . 2 . ]"
1 35 LYS 15.797 0.477 18 0 "[ . 1 . 2 . ]"
1 36 VAL 9.410 0.268 26 0 "[ . 1 . 2 . ]"
1 37 LEU 15.070 0.367 29 0 "[ . 1 . 2 . ]"
1 38 ASN 12.552 0.454 23 0 "[ . 1 . 2 . ]"
1 39 GLU 4.973 0.385 15 0 "[ . 1 . 2 . ]"
1 40 GLU 7.781 0.385 15 0 "[ . 1 . 2 . ]"
1 41 CYS 9.033 0.328 2 0 "[ . 1 . 2 . ]"
1 42 ASP 28.506 0.493 29 0 "[ . 1 . 2 . ]"
1 43 GLN 14.647 0.470 20 0 "[ . 1 . 2 . ]"
1 44 ASN 24.656 0.459 22 0 "[ . 1 . 2 . ]"
1 45 TRP 37.896 0.498 13 0 "[ . 1 . 2 . ]"
1 46 TYR 15.398 0.229 8 0 "[ . 1 . 2 . ]"
1 47 LYS 14.787 0.258 29 0 "[ . 1 . 2 . ]"
1 48 ALA 33.174 0.475 8 0 "[ . 1 . 2 . ]"
1 49 GLU 36.660 0.475 8 0 "[ . 1 . 2 . ]"
1 50 LEU 55.666 0.477 18 0 "[ . 1 . 2 . ]"
1 51 ASN 37.023 0.353 7 0 "[ . 1 . 2 . ]"
1 52 GLY 8.399 0.244 8 0 "[ . 1 . 2 . ]"
1 53 LYS 34.285 0.457 19 0 "[ . 1 . 2 . ]"
1 54 ASP 53.539 0.483 14 0 "[ . 1 . 2 . ]"
1 55 GLY 15.803 0.367 29 0 "[ . 1 . 2 . ]"
1 56 PHE 2.467 0.119 24 0 "[ . 1 . 2 . ]"
1 57 ILE 11.809 0.255 12 0 "[ . 1 . 2 . ]"
1 58 PRO 18.139 0.498 13 0 "[ . 1 . 2 . ]"
1 59 LYS 21.398 0.447 3 0 "[ . 1 . 2 . ]"
1 60 ASN 29.167 0.429 29 0 "[ . 1 . 2 . ]"
1 61 TYR 21.771 0.390 19 0 "[ . 1 . 2 . ]"
1 62 ILE 53.271 0.447 3 0 "[ . 1 . 2 . ]"
1 63 GLU 38.396 0.457 7 0 "[ . 1 . 2 . ]"
1 64 MET 10.425 0.457 7 0 "[ . 1 . 2 . ]"
1 65 LYS 43.833 0.459 13 0 "[ . 1 . 2 . ]"
1 66 PRO 28.992 0.495 2 0 "[ . 1 . 2 . ]"
1 67 HIS 0.422 0.100 7 0 "[ . 1 . 2 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 MET HA 1 10 MET HB3 1.800 . 3.000 2.673 2.665 2.688 . 0 0 "[ . 1 . 2 . ]" 1
2 1 10 MET HA 1 10 MET QG 1.800 . 5.000 2.174 1.994 2.219 . 0 0 "[ . 1 . 2 . ]" 1
3 1 10 MET H 1 10 MET HB2 1.800 . 4.000 2.411 2.302 2.507 . 0 0 "[ . 1 . 2 . ]" 1
4 1 10 MET H 1 10 MET QG 1.800 . 4.000 3.551 3.278 3.947 . 0 0 "[ . 1 . 2 . ]" 1
5 1 10 MET HA 1 11 GLU QG 1.800 . 5.000 4.966 4.041 5.115 0.115 8 0 "[ . 1 . 2 . ]" 1
6 1 10 MET HA 1 11 GLU H 1.800 . 5.000 2.694 2.605 2.777 . 0 0 "[ . 1 . 2 . ]" 1
7 1 10 MET HB3 1 11 GLU H 1.800 . 4.000 1.968 1.910 2.092 . 0 0 "[ . 1 . 2 . ]" 1
8 1 10 MET QG 1 11 GLU H 1.800 . 3.000 3.177 3.143 3.233 0.233 29 0 "[ . 1 . 2 . ]" 1
9 1 10 MET HB3 1 36 VAL QG 1.800 . 4.000 3.682 2.997 4.008 0.008 16 0 "[ . 1 . 2 . ]" 1
10 1 10 MET HB2 1 36 VAL QG 1.800 . 4.000 3.391 2.113 3.826 . 0 0 "[ . 1 . 2 . ]" 1
11 1 10 MET H 1 36 VAL H 1.800 . 4.000 4.062 3.863 4.136 0.136 18 0 "[ . 1 . 2 . ]" 1
12 1 10 MET QG 1 66 PRO QB 1.800 . 4.000 3.919 3.269 4.039 0.039 7 0 "[ . 1 . 2 . ]" 1
13 1 10 MET QG 1 67 HIS HD2 1.800 . 4.000 3.506 2.164 4.100 0.100 7 0 "[ . 1 . 2 . ]" 1
14 1 11 GLU HA 1 11 GLU HB3 1.800 . 3.000 2.886 2.693 2.930 . 0 0 "[ . 1 . 2 . ]" 1
15 1 11 GLU HA 1 11 GLU QG 1.800 . 4.000 2.095 1.991 2.505 . 0 0 "[ . 1 . 2 . ]" 1
16 1 11 GLU QB 1 11 GLU QG 1.800 . 3.000 2.091 2.026 2.104 . 0 0 "[ . 1 . 2 . ]" 1
17 1 11 GLU HB3 1 11 GLU QG 1.800 . 2.500 2.294 2.242 2.513 0.013 13 0 "[ . 1 . 2 . ]" 1
18 1 11 GLU H 1 11 GLU QB 1.800 . 3.000 2.405 2.249 2.481 . 0 0 "[ . 1 . 2 . ]" 1
19 1 11 GLU H 1 11 GLU HB3 1.800 . 3.000 3.179 3.074 3.395 0.395 7 0 "[ . 1 . 2 . ]" 1
20 1 11 GLU H 1 11 GLU QG 1.800 . 4.000 3.919 3.426 3.987 . 0 0 "[ . 1 . 2 . ]" 1
21 1 11 GLU HA 1 12 ALA H 1.800 . 2.500 2.500 2.426 2.548 0.048 29 0 "[ . 1 . 2 . ]" 1
22 1 11 GLU HB3 1 12 ALA H 1.800 . 2.500 2.577 2.397 2.627 0.127 6 0 "[ . 1 . 2 . ]" 1
23 1 11 GLU QG 1 12 ALA H 1.800 . 4.000 2.446 2.103 3.953 . 0 0 "[ . 1 . 2 . ]" 1
24 1 11 GLU H 1 12 ALA H 1.800 . 4.000 4.329 4.303 4.349 0.349 5 0 "[ . 1 . 2 . ]" 1
25 1 11 GLU HB3 1 33 ILE MD 1.800 . 4.000 3.779 3.527 4.012 0.012 15 0 "[ . 1 . 2 . ]" 1
26 1 11 GLU QG 1 33 ILE MG 1.800 . 3.000 2.133 1.887 3.208 0.208 7 0 "[ . 1 . 2 . ]" 1
27 1 11 GLU HA 1 35 LYS HA 1.800 . 2.500 2.416 2.192 2.565 0.065 26 0 "[ . 1 . 2 . ]" 1
28 1 11 GLU HA 1 36 VAL H 1.800 . 2.500 2.417 2.254 2.562 0.062 7 0 "[ . 1 . 2 . ]" 1
29 1 11 GLU H 1 65 LYS H 1.800 . 4.000 4.027 3.938 4.103 0.103 13 0 "[ . 1 . 2 . ]" 1
30 1 12 ALA HA 1 12 ALA MB 1.800 . 2.500 2.092 2.056 2.110 . 0 0 "[ . 1 . 2 . ]" 1
31 1 12 ALA H 1 12 ALA HA 1.800 . 3.000 2.905 2.889 2.923 . 0 0 "[ . 1 . 2 . ]" 1
32 1 12 ALA H 1 12 ALA MB 1.800 . 2.500 2.675 2.635 2.705 0.205 26 0 "[ . 1 . 2 . ]" 1
33 1 12 ALA HA 1 13 ILE H 1.800 . 2.500 2.101 2.082 2.132 . 0 0 "[ . 1 . 2 . ]" 1
34 1 12 ALA MB 1 13 ILE H 1.800 . 3.000 3.258 3.197 3.309 0.309 9 0 "[ . 1 . 2 . ]" 1
35 1 12 ALA H 1 33 ILE HA 1.800 . 4.000 4.067 4.026 4.132 0.132 20 0 "[ . 1 . 2 . ]" 1
36 1 12 ALA H 1 33 ILE MG 1.800 . 3.000 1.868 1.837 1.904 . 0 0 "[ . 1 . 2 . ]" 1
37 1 12 ALA MB 1 34 LEU H 1.800 . 4.000 3.503 3.341 3.731 . 0 0 "[ . 1 . 2 . ]" 1
38 1 12 ALA H 1 34 LEU QB 1.800 . 4.000 3.960 3.731 4.136 0.136 6 0 "[ . 1 . 2 . ]" 1
39 1 12 ALA H 1 34 LEU H 1.800 . 4.000 2.992 2.707 3.276 . 0 0 "[ . 1 . 2 . ]" 1
40 1 12 ALA HA 1 63 GLU H 1.800 . 4.000 4.022 3.903 4.113 0.113 29 0 "[ . 1 . 2 . ]" 1
41 1 12 ALA MB 1 64 MET QG 1.800 . 4.000 3.265 2.645 4.246 0.246 25 0 "[ . 1 . 2 . ]" 1
42 1 12 ALA HA 1 65 LYS QG 1.800 . 4.000 3.932 3.698 4.096 0.096 2 0 "[ . 1 . 2 . ]" 1
43 1 12 ALA HA 1 65 LYS H 1.800 . 2.500 1.933 1.857 1.979 . 0 0 "[ . 1 . 2 . ]" 1
44 1 12 ALA MB 1 65 LYS H 1.800 . 3.000 3.178 3.114 3.247 0.247 6 0 "[ . 1 . 2 . ]" 1
45 1 13 ILE HA 1 13 ILE HB 1.800 . 3.000 2.376 2.352 2.424 . 0 0 "[ . 1 . 2 . ]" 1
46 1 13 ILE HA 1 13 ILE MD 1.800 . 3.000 3.196 3.158 3.243 0.243 19 0 "[ . 1 . 2 . ]" 1
47 1 13 ILE HA 1 13 ILE QG 1.800 . 4.000 2.403 2.308 2.476 . 0 0 "[ . 1 . 2 . ]" 1
48 1 13 ILE HA 1 13 ILE MG 1.800 . 4.000 3.172 3.164 3.184 . 0 0 "[ . 1 . 2 . ]" 1
49 1 13 ILE HB 1 13 ILE MD 1.800 . 2.500 2.103 2.061 2.128 . 0 0 "[ . 1 . 2 . ]" 1
50 1 13 ILE MD 1 13 ILE QG 1.800 . 2.500 1.881 1.870 1.888 . 0 0 "[ . 1 . 2 . ]" 1
51 1 13 ILE MD 1 13 ILE MG 1.800 . 2.500 2.568 2.535 2.620 0.120 29 0 "[ . 1 . 2 . ]" 1
52 1 13 ILE QG 1 13 ILE MG 1.800 . 2.500 1.946 1.908 2.049 . 0 0 "[ . 1 . 2 . ]" 1
53 1 13 ILE H 1 13 ILE HA 1.800 . 3.000 2.822 2.798 2.845 . 0 0 "[ . 1 . 2 . ]" 1
54 1 13 ILE H 1 13 ILE HB 1.800 . 2.500 2.576 2.536 2.629 0.129 23 0 "[ . 1 . 2 . ]" 1
55 1 13 ILE H 1 13 ILE MD 1.800 . 4.000 4.226 4.193 4.262 0.262 23 0 "[ . 1 . 2 . ]" 1
56 1 13 ILE H 1 13 ILE QG 1.800 . 4.000 3.973 3.949 4.023 0.023 7 0 "[ . 1 . 2 . ]" 1
57 1 13 ILE HA 1 14 ALA H 1.800 . 2.500 2.068 2.056 2.083 . 0 0 "[ . 1 . 2 . ]" 1
58 1 13 ILE HB 1 14 ALA H 1.800 . 4.000 4.164 4.081 4.213 0.213 7 0 "[ . 1 . 2 . ]" 1
59 1 13 ILE QG 1 14 ALA H 1.800 . 3.000 2.588 2.402 2.694 . 0 0 "[ . 1 . 2 . ]" 1
60 1 13 ILE MG 1 14 ALA H 1.800 . 4.000 4.087 4.019 4.128 0.128 6 0 "[ . 1 . 2 . ]" 1
61 1 13 ILE MD 1 15 LYS HA 1.800 . 4.000 4.214 4.114 4.313 0.313 19 0 "[ . 1 . 2 . ]" 1
62 1 13 ILE HA 1 33 ILE MD 1.800 . 4.000 2.691 2.615 2.826 . 0 0 "[ . 1 . 2 . ]" 1
63 1 13 ILE HA 1 33 ILE MG 1.800 . 2.500 1.873 1.845 1.903 . 0 0 "[ . 1 . 2 . ]" 1
64 1 13 ILE H 1 33 ILE MG 1.800 . 2.500 2.693 2.657 2.738 0.238 14 0 "[ . 1 . 2 . ]" 1
65 1 13 ILE HA 1 34 LEU QD 1.800 . 5.000 4.026 3.781 4.367 . 0 0 "[ . 1 . 2 . ]" 1
66 1 13 ILE HA 1 34 LEU H 1.800 . 4.000 4.048 3.987 4.101 0.101 22 0 "[ . 1 . 2 . ]" 1
67 1 13 ILE HB 1 63 GLU QB 1.800 . 4.000 4.118 4.027 4.253 0.253 7 0 "[ . 1 . 2 . ]" 1
68 1 14 ALA HA 1 14 ALA MB 1.800 . 2.500 2.152 2.135 2.163 . 0 0 "[ . 1 . 2 . ]" 1
69 1 14 ALA H 1 14 ALA HA 1.800 . 3.000 2.957 2.936 2.994 . 0 0 "[ . 1 . 2 . ]" 1
70 1 14 ALA H 1 14 ALA MB 1.800 . 2.500 2.253 2.207 2.298 . 0 0 "[ . 1 . 2 . ]" 1
71 1 14 ALA HA 1 15 LYS H 1.800 . 2.500 2.236 2.159 2.264 . 0 0 "[ . 1 . 2 . ]" 1
72 1 14 ALA MB 1 15 LYS H 1.800 . 4.000 3.453 3.158 3.559 . 0 0 "[ . 1 . 2 . ]" 1
73 1 14 ALA H 1 15 LYS H 1.800 . 5.000 4.328 4.143 4.484 . 0 0 "[ . 1 . 2 . ]" 1
74 1 14 ALA HA 1 16 TYR H 1.800 . 4.000 3.670 3.547 3.862 . 0 0 "[ . 1 . 2 . ]" 1
75 1 14 ALA MB 1 16 TYR H 1.800 . 3.000 3.132 3.089 3.199 0.199 19 0 "[ . 1 . 2 . ]" 1
76 1 14 ALA MB 1 28 PHE QD 1.800 . 2.500 2.379 2.038 2.523 0.023 12 0 "[ . 1 . 2 . ]" 1
77 1 14 ALA MB 1 29 LYS H 1.800 . 4.000 3.985 3.846 4.053 0.053 28 0 "[ . 1 . 2 . ]" 1
78 1 14 ALA MB 1 31 GLY H 1.800 . 2.500 2.506 2.388 2.556 0.056 21 0 "[ . 1 . 2 . ]" 1
79 1 14 ALA H 1 31 GLY H 1.800 . 5.000 4.106 3.609 4.271 . 0 0 "[ . 1 . 2 . ]" 1
80 1 14 ALA MB 1 32 ASP HB3 1.800 . 4.000 3.339 2.954 3.728 . 0 0 "[ . 1 . 2 . ]" 1
81 1 14 ALA MB 1 32 ASP HB2 1.800 . 4.000 3.276 2.842 3.571 . 0 0 "[ . 1 . 2 . ]" 1
82 1 14 ALA MB 1 32 ASP H 1.800 . 3.000 2.267 2.074 2.487 . 0 0 "[ . 1 . 2 . ]" 1
83 1 14 ALA H 1 32 ASP H 1.800 . 4.000 4.077 4.044 4.114 0.114 27 0 "[ . 1 . 2 . ]" 1
84 1 14 ALA H 1 33 ILE MD 1.800 . 4.000 4.143 4.120 4.175 0.175 22 0 "[ . 1 . 2 . ]" 1
85 1 14 ALA H 1 33 ILE MG 1.800 . 3.000 3.326 3.260 3.377 0.377 29 0 "[ . 1 . 2 . ]" 1
86 1 14 ALA HA 1 34 LEU QD 1.800 . 4.000 3.096 2.769 3.461 . 0 0 "[ . 1 . 2 . ]" 1
87 1 14 ALA MB 1 34 LEU QD 1.800 . 3.000 2.080 1.866 2.357 . 0 0 "[ . 1 . 2 . ]" 1
88 1 14 ALA H 1 34 LEU QD 1.800 . 3.000 3.088 3.026 3.185 0.185 6 0 "[ . 1 . 2 . ]" 1
89 1 14 ALA HA 1 62 ILE HA 1.800 . 3.000 2.314 2.095 2.595 . 0 0 "[ . 1 . 2 . ]" 1
90 1 14 ALA HA 1 62 ILE MD 1.800 . 4.000 3.927 2.410 4.271 0.271 29 0 "[ . 1 . 2 . ]" 1
91 1 14 ALA HA 1 62 ILE MG 1.800 . 2.500 2.044 1.881 2.522 0.022 18 0 "[ . 1 . 2 . ]" 1
92 1 14 ALA H 1 62 ILE MG 1.800 . 4.000 3.442 3.203 4.040 0.040 3 0 "[ . 1 . 2 . ]" 1
93 1 14 ALA HA 1 63 GLU H 1.800 . 4.000 3.980 3.861 4.135 0.135 29 0 "[ . 1 . 2 . ]" 1
94 1 15 LYS HA 1 15 LYS QB 1.800 . 2.500 2.367 2.339 2.533 0.033 19 0 "[ . 1 . 2 . ]" 1
95 1 15 LYS HA 1 15 LYS QD 1.800 . 4.000 4.136 3.538 4.212 0.212 26 0 "[ . 1 . 2 . ]" 1
96 1 15 LYS HA 1 15 LYS QG 1.800 . 2.500 2.419 2.030 2.483 . 0 0 "[ . 1 . 2 . ]" 1
97 1 15 LYS QB 1 15 LYS QE 1.800 . 4.000 2.305 1.923 3.557 . 0 0 "[ . 1 . 2 . ]" 1
98 1 15 LYS QB 1 15 LYS QG 1.800 . 2.500 2.087 2.043 2.100 . 0 0 "[ . 1 . 2 . ]" 1
99 1 15 LYS QD 1 15 LYS QE 1.800 . 3.000 2.078 2.037 2.108 . 0 0 "[ . 1 . 2 . ]" 1
100 1 15 LYS QE 1 15 LYS QG 1.800 . 3.000 2.253 2.005 2.573 . 0 0 "[ . 1 . 2 . ]" 1
101 1 15 LYS H 1 15 LYS QB 1.800 . 3.000 2.483 2.024 2.585 . 0 0 "[ . 1 . 2 . ]" 1
102 1 15 LYS H 1 15 LYS QG 1.800 . 4.000 2.075 1.886 3.773 . 0 0 "[ . 1 . 2 . ]" 1
103 1 15 LYS HA 1 16 TYR H 1.800 . 4.000 3.529 3.504 3.568 . 0 0 "[ . 1 . 2 . ]" 1
104 1 15 LYS QB 1 16 TYR QD 1.800 . 4.000 2.554 1.932 3.101 . 0 0 "[ . 1 . 2 . ]" 1
105 1 15 LYS QB 1 16 TYR QE 1.800 . 4.000 2.504 2.056 3.018 . 0 0 "[ . 1 . 2 . ]" 1
106 1 15 LYS QB 1 16 TYR H 1.800 . 4.000 2.834 2.646 2.916 . 0 0 "[ . 1 . 2 . ]" 1
107 1 15 LYS QG 1 16 TYR H 1.800 . 4.000 4.106 4.057 4.242 0.242 19 0 "[ . 1 . 2 . ]" 1
108 1 15 LYS H 1 16 TYR H 1.800 . 3.000 2.731 2.432 3.005 0.005 29 0 "[ . 1 . 2 . ]" 1
109 1 15 LYS HA 1 30 ARG QG 1.800 . 4.000 4.055 3.880 4.167 0.167 29 0 "[ . 1 . 2 . ]" 1
110 1 15 LYS QD 1 60 ASN HA 1.800 . 4.000 4.202 4.108 4.316 0.316 24 0 "[ . 1 . 2 . ]" 1
111 1 15 LYS QD 1 61 TYR HA 1.800 . 5.000 3.098 2.491 3.656 . 0 0 "[ . 1 . 2 . ]" 1
112 1 15 LYS QB 1 62 ILE HA 1.800 . 5.000 3.638 2.432 3.843 . 0 0 "[ . 1 . 2 . ]" 1
113 1 15 LYS H 1 62 ILE HA 1.800 . 3.000 1.931 1.767 2.175 0.033 29 0 "[ . 1 . 2 . ]" 1
114 1 15 LYS H 1 62 ILE MG 1.800 . 4.000 3.312 2.975 3.654 . 0 0 "[ . 1 . 2 . ]" 1
115 1 15 LYS QD 1 63 GLU QB 1.800 . 3.000 3.046 3.018 3.074 0.074 2 0 "[ . 1 . 2 . ]" 1
116 1 15 LYS H 1 63 GLU H 1.800 . 5.000 4.006 3.599 4.222 . 0 0 "[ . 1 . 2 . ]" 1
117 1 16 TYR HA 1 16 TYR HB3 1.800 . 2.500 2.370 2.349 2.400 . 0 0 "[ . 1 . 2 . ]" 1
118 1 16 TYR HA 1 16 TYR HB2 1.800 . 3.000 3.010 2.995 3.022 0.022 9 0 "[ . 1 . 2 . ]" 1
119 1 16 TYR HA 1 16 TYR QD 1.800 . 4.000 2.870 2.452 3.282 . 0 0 "[ . 1 . 2 . ]" 1
120 1 16 TYR HB3 1 16 TYR QD 1.800 . 3.000 2.471 2.305 2.618 . 0 0 "[ . 1 . 2 . ]" 1
121 1 16 TYR HB2 1 16 TYR QD 1.800 . 3.000 2.360 2.278 2.538 . 0 0 "[ . 1 . 2 . ]" 1
122 1 16 TYR H 1 16 TYR HB3 1.800 . 4.000 4.001 3.968 4.025 0.025 13 0 "[ . 1 . 2 . ]" 1
123 1 16 TYR H 1 16 TYR HB2 1.800 . 3.000 3.038 2.945 3.105 0.105 13 0 "[ . 1 . 2 . ]" 1
124 1 16 TYR H 1 16 TYR QD 1.800 . 4.000 3.029 2.358 3.474 . 0 0 "[ . 1 . 2 . ]" 1
125 1 16 TYR HA 1 17 ASP QB 1.800 . 4.000 4.223 4.123 4.317 0.317 19 0 "[ . 1 . 2 . ]" 1
126 1 16 TYR HA 1 17 ASP H 1.800 . 3.000 2.600 2.550 2.639 . 0 0 "[ . 1 . 2 . ]" 1
127 1 16 TYR HB3 1 17 ASP H 1.800 . 3.000 2.090 2.017 2.233 . 0 0 "[ . 1 . 2 . ]" 1
128 1 16 TYR HB2 1 17 ASP H 1.800 . 4.000 2.809 2.716 2.963 . 0 0 "[ . 1 . 2 . ]" 1
129 1 16 TYR QD 1 17 ASP H 1.800 . 4.000 4.017 3.872 4.128 0.128 2 0 "[ . 1 . 2 . ]" 1
130 1 16 TYR H 1 17 ASP H 1.800 . 5.000 4.373 4.323 4.396 . 0 0 "[ . 1 . 2 . ]" 1
131 1 16 TYR H 1 28 PHE QD 1.800 . 5.000 4.760 4.429 4.983 . 0 0 "[ . 1 . 2 . ]" 1
132 1 16 TYR HA 1 30 ARG HA 1.800 . 5.000 2.659 2.409 2.885 . 0 0 "[ . 1 . 2 . ]" 1
133 1 16 TYR HA 1 30 ARG HB3 1.800 . 4.000 3.885 3.640 4.016 0.016 18 0 "[ . 1 . 2 . ]" 1
134 1 16 TYR HA 1 30 ARG HB2 1.800 . 4.000 2.509 2.146 2.691 . 0 0 "[ . 1 . 2 . ]" 1
135 1 16 TYR HA 1 30 ARG QG 1.800 . 3.000 1.953 1.903 1.981 . 0 0 "[ . 1 . 2 . ]" 1
136 1 16 TYR H 1 30 ARG HA 1.800 . 4.000 3.577 3.434 3.716 . 0 0 "[ . 1 . 2 . ]" 1
137 1 16 TYR H 1 30 ARG HB2 1.800 . 5.000 5.002 4.550 5.107 0.107 19 0 "[ . 1 . 2 . ]" 1
138 1 16 TYR H 1 31 GLY H 1.800 . 5.000 4.400 4.182 4.650 . 0 0 "[ . 1 . 2 . ]" 1
139 1 16 TYR QD 1 61 TYR HA 1.800 . 2.500 1.951 1.865 2.083 . 0 0 "[ . 1 . 2 . ]" 1
140 1 16 TYR QD 1 61 TYR HB3 1.800 . 5.000 3.186 2.545 3.590 . 0 0 "[ . 1 . 2 . ]" 1
141 1 16 TYR QD 1 61 TYR H 1.800 . 5.000 4.669 4.420 4.877 . 0 0 "[ . 1 . 2 . ]" 1
142 1 16 TYR QE 1 61 TYR HA 1.800 . 3.000 3.042 2.591 3.086 0.086 16 0 "[ . 1 . 2 . ]" 1
143 1 16 TYR H 1 61 TYR HB3 1.800 . 5.000 2.817 2.270 3.149 . 0 0 "[ . 1 . 2 . ]" 1
144 1 17 ASP HA 1 17 ASP QB 1.800 . 2.500 2.295 2.172 2.544 0.044 29 0 "[ . 1 . 2 . ]" 1
145 1 17 ASP H 1 17 ASP QB 1.800 . 2.500 2.379 1.999 2.579 0.079 8 0 "[ . 1 . 2 . ]" 1
146 1 17 ASP HA 1 18 PHE H 1.800 . 2.500 2.438 2.349 2.516 0.016 26 0 "[ . 1 . 2 . ]" 1
147 1 17 ASP QB 1 18 PHE H 1.800 . 2.500 2.591 2.435 2.735 0.235 21 0 "[ . 1 . 2 . ]" 1
148 1 17 ASP HA 1 29 LYS HA 1.800 . 2.500 2.082 1.949 2.491 . 0 0 "[ . 1 . 2 . ]" 1
149 1 17 ASP QB 1 29 LYS HA 1.800 . 4.000 2.751 2.144 3.824 . 0 0 "[ . 1 . 2 . ]" 1
150 1 17 ASP HA 1 30 ARG H 1.800 . 3.000 2.827 2.697 3.047 0.047 8 0 "[ . 1 . 2 . ]" 1
151 1 17 ASP QB 1 30 ARG QD 1.800 . 4.000 3.977 3.728 4.244 0.244 8 0 "[ . 1 . 2 . ]" 1
152 1 17 ASP QB 1 30 ARG H 1.800 . 4.000 2.645 1.965 3.795 . 0 0 "[ . 1 . 2 . ]" 1
153 1 17 ASP H 1 30 ARG HB2 1.800 . 5.000 2.674 2.198 2.979 . 0 0 "[ . 1 . 2 . ]" 1
154 1 17 ASP H 1 30 ARG QG 1.800 . 4.000 4.017 3.614 4.110 0.110 19 0 "[ . 1 . 2 . ]" 1
155 1 17 ASP H 1 30 ARG H 1.800 . 5.000 3.998 3.790 4.274 . 0 0 "[ . 1 . 2 . ]" 1
156 1 18 PHE HA 1 18 PHE QD 1.800 . 3.000 2.237 1.864 3.034 0.034 28 0 "[ . 1 . 2 . ]" 1
157 1 18 PHE QB 1 18 PHE QD 1.800 . 3.000 2.194 2.114 2.290 . 0 0 "[ . 1 . 2 . ]" 1
158 1 18 PHE H 1 18 PHE QD 1.800 . 4.000 4.186 4.022 4.364 0.364 21 0 "[ . 1 . 2 . ]" 1
159 1 18 PHE HA 1 19 LYS H 1.800 . 2.500 2.538 2.234 2.618 0.118 25 0 "[ . 1 . 2 . ]" 1
160 1 18 PHE QD 1 19 LYS H 1.800 . 4.000 2.968 1.944 3.947 . 0 0 "[ . 1 . 2 . ]" 1
161 1 18 PHE H 1 19 LYS H 1.800 . 5.000 4.308 3.702 4.384 . 0 0 "[ . 1 . 2 . ]" 1
162 1 18 PHE QB 1 28 PHE QD 1.800 . 4.000 3.615 3.357 3.973 . 0 0 "[ . 1 . 2 . ]" 1
163 1 18 PHE QB 1 28 PHE H 1.800 . 4.000 3.843 3.157 4.136 0.136 19 0 "[ . 1 . 2 . ]" 1
164 1 18 PHE H 1 28 PHE H 1.800 . 4.000 3.692 3.426 3.813 . 0 0 "[ . 1 . 2 . ]" 1
165 1 18 PHE H 1 29 LYS HA 1.800 . 4.000 2.841 2.650 3.157 . 0 0 "[ . 1 . 2 . ]" 1
166 1 18 PHE H 1 29 LYS H 1.800 . 5.000 4.947 4.773 5.094 0.094 29 0 "[ . 1 . 2 . ]" 1
167 1 18 PHE H 1 30 ARG H 1.800 . 5.000 4.802 4.547 5.004 0.004 26 0 "[ . 1 . 2 . ]" 1
168 1 18 PHE HA 1 61 TYR QE 1.800 . 4.000 4.110 4.038 4.214 0.214 19 0 "[ . 1 . 2 . ]" 1
169 1 19 LYS HA 1 19 LYS QG 1.800 . 4.000 2.740 1.973 3.461 . 0 0 "[ . 1 . 2 . ]" 1
170 1 19 LYS QB 1 19 LYS QG 1.800 . 2.500 2.085 2.029 2.110 . 0 0 "[ . 1 . 2 . ]" 1
171 1 19 LYS QE 1 19 LYS QG 1.800 . 4.000 2.203 1.973 2.417 . 0 0 "[ . 1 . 2 . ]" 1
172 1 19 LYS H 1 19 LYS QB 1.800 . 3.000 2.838 2.162 3.110 0.110 10 0 "[ . 1 . 2 . ]" 1
173 1 19 LYS H 1 19 LYS QG 1.800 . 5.000 3.239 1.989 4.207 . 0 0 "[ . 1 . 2 . ]" 1
174 1 19 LYS HA 1 20 ALA HA 1.800 . 4.000 4.265 4.225 4.282 0.282 11 0 "[ . 1 . 2 . ]" 1
175 1 19 LYS HA 1 20 ALA MB 1.800 . 4.000 4.086 4.047 4.175 0.175 29 0 "[ . 1 . 2 . ]" 1
176 1 19 LYS HA 1 20 ALA H 1.800 . 2.500 2.403 2.200 2.567 0.067 25 0 "[ . 1 . 2 . ]" 1
177 1 19 LYS QB 1 20 ALA H 1.800 . 3.000 2.569 1.995 3.041 0.041 8 0 "[ . 1 . 2 . ]" 1
178 1 19 LYS QG 1 20 ALA H 1.800 . 3.000 2.875 1.983 3.212 0.212 29 0 "[ . 1 . 2 . ]" 1
179 1 19 LYS H 1 20 ALA H 1.800 . 5.000 4.432 4.359 4.655 . 0 0 "[ . 1 . 2 . ]" 1
180 1 19 LYS QE 1 21 THR MG 1.800 . 5.000 4.506 3.005 5.083 0.083 12 0 "[ . 1 . 2 . ]" 1
181 1 19 LYS HA 1 27 SER HB3 1.800 . 3.000 2.356 1.924 3.033 0.033 20 0 "[ . 1 . 2 . ]" 1
182 1 19 LYS HA 1 27 SER HB2 1.800 . 4.000 3.184 1.975 4.006 0.006 28 0 "[ . 1 . 2 . ]" 1
183 1 19 LYS HA 1 28 PHE H 1.800 . 5.000 2.739 2.555 3.115 . 0 0 "[ . 1 . 2 . ]" 1
184 1 20 ALA HA 1 20 ALA MB 1.800 . 2.500 2.127 2.106 2.141 . 0 0 "[ . 1 . 2 . ]" 1
185 1 20 ALA H 1 20 ALA HA 1.800 . 3.000 2.859 2.792 2.901 . 0 0 "[ . 1 . 2 . ]" 1
186 1 20 ALA H 1 20 ALA MB 1.800 . 2.500 2.206 2.084 2.298 . 0 0 "[ . 1 . 2 . ]" 1
187 1 20 ALA HA 1 21 THR MG 1.800 . 4.000 3.789 3.406 4.051 0.051 21 0 "[ . 1 . 2 . ]" 1
188 1 20 ALA HA 1 21 THR H 1.800 . 2.500 2.260 2.208 2.414 . 0 0 "[ . 1 . 2 . ]" 1
189 1 20 ALA MB 1 21 THR H 1.800 . 3.000 3.091 3.030 3.338 0.338 29 0 "[ . 1 . 2 . ]" 1
190 1 20 ALA H 1 21 THR H 1.800 . 5.000 4.581 4.493 4.628 . 0 0 "[ . 1 . 2 . ]" 1
191 1 20 ALA HA 1 25 GLU QB 1.800 . 4.000 2.306 1.931 2.478 . 0 0 "[ . 1 . 2 . ]" 1
192 1 20 ALA HA 1 25 GLU QG 1.800 . 4.000 2.133 1.942 3.776 . 0 0 "[ . 1 . 2 . ]" 1
193 1 20 ALA MB 1 25 GLU QB 1.800 . 3.000 1.926 1.849 2.157 . 0 0 "[ . 1 . 2 . ]" 1
194 1 20 ALA MB 1 25 GLU QG 1.800 . 3.000 3.116 3.051 3.215 0.215 26 0 "[ . 1 . 2 . ]" 1
195 1 20 ALA MB 1 25 GLU H 1.800 . 3.000 3.106 2.681 3.172 0.172 29 0 "[ . 1 . 2 . ]" 1
196 1 20 ALA HA 1 26 LEU HA 1.800 . 4.000 4.220 4.128 4.281 0.281 8 0 "[ . 1 . 2 . ]" 1
197 1 20 ALA MB 1 26 LEU HA 1.800 . 3.000 2.684 2.366 3.012 0.012 15 0 "[ . 1 . 2 . ]" 1
198 1 20 ALA MB 1 27 SER H 1.800 . 4.000 2.814 2.297 3.271 . 0 0 "[ . 1 . 2 . ]" 1
199 1 20 ALA H 1 27 SER HA 1.800 . 3.000 2.704 2.162 3.042 0.042 25 0 "[ . 1 . 2 . ]" 1
200 1 20 ALA H 1 27 SER HB3 1.800 . 5.000 2.407 1.942 2.878 . 0 0 "[ . 1 . 2 . ]" 1
201 1 20 ALA H 1 27 SER HB2 1.800 . 5.000 3.462 2.486 3.908 . 0 0 "[ . 1 . 2 . ]" 1
202 1 20 ALA H 1 27 SER H 1.800 . 5.000 3.882 3.341 4.295 . 0 0 "[ . 1 . 2 . ]" 1
203 1 20 ALA H 1 28 PHE H 1.800 . 5.000 4.604 4.224 5.004 0.004 4 0 "[ . 1 . 2 . ]" 1
204 1 21 THR HA 1 22 ALA H 1.800 . 4.000 3.130 2.747 3.591 . 0 0 "[ . 1 . 2 . ]" 1
205 1 21 THR H 1 22 ALA H 1.800 . 3.000 2.627 2.064 3.016 0.016 16 0 "[ . 1 . 2 . ]" 1
206 1 22 ALA HA 1 22 ALA MB 1.800 . 2.500 2.136 2.112 2.149 . 0 0 "[ . 1 . 2 . ]" 1
207 1 22 ALA H 1 22 ALA HA 1.800 . 3.000 2.874 2.811 2.979 . 0 0 "[ . 1 . 2 . ]" 1
208 1 22 ALA H 1 22 ALA MB 1.800 . 3.000 2.610 2.156 2.962 . 0 0 "[ . 1 . 2 . ]" 1
209 1 22 ALA HA 1 23 ASP HB2 1.800 . 4.000 4.230 4.078 4.258 0.258 21 0 "[ . 1 . 2 . ]" 1
210 1 22 ALA HA 1 23 ASP H 1.800 . 2.500 2.433 2.317 2.928 0.428 20 0 "[ . 1 . 2 . ]" 1
211 1 22 ALA MB 1 23 ASP HA 1.800 . 5.000 4.232 4.108 4.894 . 0 0 "[ . 1 . 2 . ]" 1
212 1 22 ALA MB 1 23 ASP HB3 1.800 . 4.000 4.096 4.063 4.231 0.231 29 0 "[ . 1 . 2 . ]" 1
213 1 22 ALA MB 1 23 ASP H 1.800 . 3.000 2.240 1.944 3.426 0.426 20 0 "[ . 1 . 2 . ]" 1
214 1 22 ALA HA 1 24 ASP H 1.800 . 4.000 4.054 4.008 4.177 0.177 20 0 "[ . 1 . 2 . ]" 1
215 1 22 ALA MB 1 24 ASP H 1.800 . 3.000 2.265 2.093 2.838 . 0 0 "[ . 1 . 2 . ]" 1
216 1 22 ALA MB 1 25 GLU QB 1.800 . 4.000 2.066 1.922 3.727 . 0 0 "[ . 1 . 2 . ]" 1
217 1 22 ALA MB 1 25 GLU QG 1.800 . 4.000 3.815 1.858 4.022 0.022 6 0 "[ . 1 . 2 . ]" 1
218 1 22 ALA MB 1 25 GLU H 1.800 . 4.000 3.194 3.050 3.522 . 0 0 "[ . 1 . 2 . ]" 1
219 1 22 ALA H 1 25 GLU H 1.800 . 4.000 3.832 2.994 4.121 0.121 26 0 "[ . 1 . 2 . ]" 1
220 1 23 ASP HA 1 23 ASP HB3 1.800 . 3.000 2.985 2.963 3.011 0.011 20 0 "[ . 1 . 2 . ]" 1
221 1 23 ASP HA 1 23 ASP HB2 1.800 . 2.500 2.583 2.555 2.610 0.110 5 0 "[ . 1 . 2 . ]" 1
222 1 23 ASP H 1 23 ASP HA 1.800 . 3.000 2.854 2.342 2.923 . 0 0 "[ . 1 . 2 . ]" 1
223 1 23 ASP H 1 23 ASP HB3 1.800 . 4.000 2.763 2.642 3.776 . 0 0 "[ . 1 . 2 . ]" 1
224 1 23 ASP H 1 23 ASP HB2 1.800 . 4.000 2.254 2.109 3.238 . 0 0 "[ . 1 . 2 . ]" 1
225 1 23 ASP HA 1 24 ASP H 1.800 . 4.000 3.388 3.145 3.500 . 0 0 "[ . 1 . 2 . ]" 1
226 1 23 ASP HB3 1 24 ASP H 1.800 . 5.000 3.323 2.865 3.866 . 0 0 "[ . 1 . 2 . ]" 1
227 1 23 ASP H 1 24 ASP H 1.800 . 4.000 2.666 2.555 3.078 . 0 0 "[ . 1 . 2 . ]" 1
228 1 23 ASP HA 1 25 GLU H 1.800 . 4.000 4.035 3.801 4.163 0.163 20 0 "[ . 1 . 2 . ]" 1
229 1 24 ASP H 1 24 ASP HA 1.800 . 2.500 2.890 2.865 2.907 0.407 2 0 "[ . 1 . 2 . ]" 1
230 1 24 ASP H 1 24 ASP QB 1.800 . 2.500 2.558 2.432 2.715 0.215 29 0 "[ . 1 . 2 . ]" 1
231 1 24 ASP HA 1 25 GLU H 1.800 . 3.000 2.964 2.835 3.080 0.080 26 0 "[ . 1 . 2 . ]" 1
232 1 24 ASP H 1 25 GLU H 1.800 . 3.000 2.398 1.998 2.848 . 0 0 "[ . 1 . 2 . ]" 1
233 1 25 GLU HA 1 25 GLU QG 1.800 . 2.500 2.103 2.031 2.424 . 0 0 "[ . 1 . 2 . ]" 1
234 1 25 GLU H 1 25 GLU QG 1.800 . 4.000 3.999 2.317 4.095 0.095 13 0 "[ . 1 . 2 . ]" 1
235 1 25 GLU HA 1 26 LEU H 1.800 . 2.500 2.541 2.367 2.667 0.167 26 0 "[ . 1 . 2 . ]" 1
236 1 25 GLU QB 1 26 LEU H 1.800 . 4.000 2.994 1.981 3.195 . 0 0 "[ . 1 . 2 . ]" 1
237 1 25 GLU QG 1 26 LEU H 1.800 . 4.000 1.992 1.866 3.966 . 0 0 "[ . 1 . 2 . ]" 1
238 1 25 GLU H 1 26 LEU H 1.800 . 5.000 4.531 4.457 4.590 . 0 0 "[ . 1 . 2 . ]" 1
239 1 25 GLU HA 1 55 GLY QA 1.800 . 4.000 3.120 2.653 3.513 . 0 0 "[ . 1 . 2 . ]" 1
240 1 25 GLU HA 1 56 PHE H 1.800 . 2.500 2.439 2.080 2.574 0.074 20 0 "[ . 1 . 2 . ]" 1
241 1 25 GLU QG 1 56 PHE HB3 1.800 . 4.000 3.962 3.144 4.119 0.119 24 0 "[ . 1 . 2 . ]" 1
242 1 25 GLU H 1 56 PHE H 1.800 . 5.000 4.793 4.570 4.872 . 0 0 "[ . 1 . 2 . ]" 1
243 1 26 LEU HA 1 26 LEU QD 1.800 . 3.000 2.192 1.935 2.619 . 0 0 "[ . 1 . 2 . ]" 1
244 1 26 LEU HA 1 26 LEU HG 1.800 . 3.000 2.822 2.210 3.082 0.082 3 0 "[ . 1 . 2 . ]" 1
245 1 26 LEU QB 1 26 LEU QD 1.800 . 2.500 1.901 1.865 1.931 . 0 0 "[ . 1 . 2 . ]" 1
246 1 26 LEU QD 1 26 LEU HG 1.800 . 2.500 1.898 1.886 1.914 . 0 0 "[ . 1 . 2 . ]" 1
247 1 26 LEU H 1 26 LEU HA 1.800 . 3.000 2.972 2.953 2.984 . 0 0 "[ . 1 . 2 . ]" 1
248 1 26 LEU H 1 26 LEU QB 1.800 . 4.000 2.490 2.330 2.578 . 0 0 "[ . 1 . 2 . ]" 1
249 1 26 LEU HA 1 27 SER H 1.800 . 2.500 2.215 2.148 2.295 . 0 0 "[ . 1 . 2 . ]" 1
250 1 26 LEU QB 1 27 SER H 1.800 . 5.000 3.606 3.323 3.866 . 0 0 "[ . 1 . 2 . ]" 1
251 1 26 LEU QD 1 27 SER H 1.800 . 5.000 2.270 1.884 2.978 . 0 0 "[ . 1 . 2 . ]" 1
252 1 26 LEU H 1 27 SER H 1.800 . 5.000 4.445 4.342 4.552 . 0 0 "[ . 1 . 2 . ]" 1
253 1 26 LEU QD 1 34 LEU QD 1.800 . 3.000 2.169 1.737 2.827 0.063 1 0 "[ . 1 . 2 . ]" 1
254 1 26 LEU QD 1 48 ALA MB 1.800 . 2.500 2.635 2.547 2.714 0.214 8 0 "[ . 1 . 2 . ]" 1
255 1 26 LEU QD 1 49 GLU HA 1.800 . 4.000 2.196 1.817 2.729 . 0 0 "[ . 1 . 2 . ]" 1
256 1 26 LEU QD 1 53 LYS HB2 1.800 . 3.000 2.726 2.495 2.944 . 0 0 "[ . 1 . 2 . ]" 1
257 1 26 LEU QD 1 53 LYS H 1.800 . 4.000 3.971 3.743 4.142 0.142 4 0 "[ . 1 . 2 . ]" 1
258 1 26 LEU QD 1 54 ASP HA 1.800 . 4.000 1.970 1.833 2.426 . 0 0 "[ . 1 . 2 . ]" 1
259 1 26 LEU QB 1 55 GLY QA 1.800 . 4.000 2.732 2.029 3.442 . 0 0 "[ . 1 . 2 . ]" 1
260 1 26 LEU QB 1 55 GLY H 1.800 . 4.000 3.421 2.992 4.023 0.023 28 0 "[ . 1 . 2 . ]" 1
261 1 26 LEU H 1 55 GLY QA 1.800 . 4.000 3.804 3.516 4.071 0.071 25 0 "[ . 1 . 2 . ]" 1
262 1 26 LEU H 1 56 PHE H 1.800 . 4.000 4.002 3.767 4.104 0.104 16 0 "[ . 1 . 2 . ]" 1
263 1 26 LEU QD 1 57 ILE MD 1.800 . 4.000 3.296 2.070 3.896 . 0 0 "[ . 1 . 2 . ]" 1
264 1 27 SER HA 1 27 SER HB3 1.800 . 2.500 2.362 2.267 2.605 0.105 20 0 "[ . 1 . 2 . ]" 1
265 1 27 SER HA 1 27 SER HB2 1.800 . 2.500 2.736 2.291 2.922 0.422 15 0 "[ . 1 . 2 . ]" 1
266 1 27 SER H 1 27 SER HA 1.800 . 3.000 2.925 2.867 2.954 . 0 0 "[ . 1 . 2 . ]" 1
267 1 27 SER H 1 27 SER QB 1.800 . 2.500 2.601 2.212 2.748 0.248 13 0 "[ . 1 . 2 . ]" 1
268 1 27 SER H 1 27 SER HB3 1.800 . 4.000 3.272 2.239 3.725 . 0 0 "[ . 1 . 2 . ]" 1
269 1 27 SER H 1 27 SER HB2 1.800 . 3.000 2.992 2.688 3.495 0.495 11 0 "[ . 1 . 2 . ]" 1
270 1 27 SER HA 1 28 PHE H 1.800 . 4.000 2.359 2.178 2.498 . 0 0 "[ . 1 . 2 . ]" 1
271 1 27 SER QB 1 28 PHE H 1.800 . 4.000 2.781 2.332 3.403 . 0 0 "[ . 1 . 2 . ]" 1
272 1 27 SER HB3 1 28 PHE H 1.800 . 4.000 3.337 2.632 4.072 0.072 19 0 "[ . 1 . 2 . ]" 1
273 1 27 SER HB2 1 28 PHE H 1.800 . 4.000 3.252 2.358 4.061 0.061 8 0 "[ . 1 . 2 . ]" 1
274 1 27 SER H 1 28 PHE H 1.800 . 5.000 4.536 4.319 4.605 . 0 0 "[ . 1 . 2 . ]" 1
275 1 28 PHE HA 1 28 PHE QB 1.800 . 2.500 2.199 2.166 2.207 . 0 0 "[ . 1 . 2 . ]" 1
276 1 28 PHE HA 1 28 PHE QD 1.800 . 4.000 3.702 3.689 3.722 . 0 0 "[ . 1 . 2 . ]" 1
277 1 28 PHE QB 1 28 PHE QD 1.800 . 2.500 2.148 2.142 2.153 . 0 0 "[ . 1 . 2 . ]" 1
278 1 28 PHE H 1 28 PHE HA 1.800 . 3.000 2.876 2.826 2.992 . 0 0 "[ . 1 . 2 . ]" 1
279 1 28 PHE H 1 28 PHE QD 1.800 . 4.000 3.361 2.773 3.552 . 0 0 "[ . 1 . 2 . ]" 1
280 1 28 PHE HA 1 29 LYS QG 1.800 . 4.000 3.246 3.144 3.323 . 0 0 "[ . 1 . 2 . ]" 1
281 1 28 PHE HA 1 29 LYS H 1.800 . 2.500 2.478 2.401 2.546 0.046 4 0 "[ . 1 . 2 . ]" 1
282 1 28 PHE QB 1 29 LYS H 1.800 . 2.500 2.370 2.123 2.522 0.022 1 0 "[ . 1 . 2 . ]" 1
283 1 28 PHE QD 1 29 LYS H 1.800 . 3.000 3.051 3.003 3.107 0.107 1 0 "[ . 1 . 2 . ]" 1
284 1 28 PHE H 1 29 LYS H 1.800 . 5.000 4.372 4.327 4.453 . 0 0 "[ . 1 . 2 . ]" 1
285 1 28 PHE QB 1 32 ASP HB3 1.800 . 5.000 2.264 1.967 2.974 . 0 0 "[ . 1 . 2 . ]" 1
286 1 28 PHE QB 1 32 ASP HB2 1.800 . 3.000 2.863 2.283 3.067 0.067 4 0 "[ . 1 . 2 . ]" 1
287 1 28 PHE QB 1 34 LEU QD 1.800 . 4.000 2.016 1.868 2.454 . 0 0 "[ . 1 . 2 . ]" 1
288 1 28 PHE QD 1 34 LEU QD 1.800 . 4.000 2.620 2.056 3.189 . 0 0 "[ . 1 . 2 . ]" 1
289 1 28 PHE HA 1 50 LEU QD 1.800 . 3.000 2.631 1.901 3.008 0.008 16 0 "[ . 1 . 2 . ]" 1
290 1 28 PHE QB 1 50 LEU QD 1.800 . 3.000 1.829 1.768 1.996 0.032 4 0 "[ . 1 . 2 . ]" 1
291 1 28 PHE QD 1 50 LEU QD 1.800 . 5.000 3.285 2.852 3.440 . 0 0 "[ . 1 . 2 . ]" 1
292 1 28 PHE QD 1 57 ILE MG 1.800 . 3.000 2.602 2.131 3.001 0.001 6 0 "[ . 1 . 2 . ]" 1
293 1 29 LYS HA 1 29 LYS QB 1.800 . 2.500 2.337 2.324 2.354 . 0 0 "[ . 1 . 2 . ]" 1
294 1 29 LYS HA 1 29 LYS QD 1.800 . 3.000 2.552 1.982 3.101 0.101 29 0 "[ . 1 . 2 . ]" 1
295 1 29 LYS HA 1 29 LYS QG 1.800 . 3.000 2.651 2.374 2.830 . 0 0 "[ . 1 . 2 . ]" 1
296 1 29 LYS QB 1 29 LYS QD 1.800 . 2.500 2.154 1.941 2.498 . 0 0 "[ . 1 . 2 . ]" 1
297 1 29 LYS QB 1 29 LYS QE 1.800 . 4.000 3.184 1.937 3.706 . 0 0 "[ . 1 . 2 . ]" 1
298 1 29 LYS QD 1 29 LYS QE 1.800 . 3.000 2.064 2.014 2.107 . 0 0 "[ . 1 . 2 . ]" 1
299 1 29 LYS QD 1 29 LYS QG 1.800 . 2.500 2.072 2.028 2.109 . 0 0 "[ . 1 . 2 . ]" 1
300 1 29 LYS QE 1 29 LYS QG 1.800 . 4.000 2.157 1.958 2.477 . 0 0 "[ . 1 . 2 . ]" 1
301 1 29 LYS H 1 29 LYS HA 1.800 . 3.000 2.981 2.960 2.990 . 0 0 "[ . 1 . 2 . ]" 1
302 1 29 LYS H 1 29 LYS QB 1.800 . 2.500 2.567 2.436 2.602 0.102 22 0 "[ . 1 . 2 . ]" 1
303 1 29 LYS H 1 29 LYS QG 1.800 . 2.500 2.596 2.551 2.644 0.144 24 0 "[ . 1 . 2 . ]" 1
304 1 29 LYS HA 1 30 ARG H 1.800 . 2.500 2.554 2.508 2.591 0.091 19 0 "[ . 1 . 2 . ]" 1
305 1 29 LYS QB 1 30 ARG H 1.800 . 3.000 2.119 2.039 2.221 . 0 0 "[ . 1 . 2 . ]" 1
306 1 29 LYS QG 1 30 ARG H 1.800 . 4.000 4.132 4.076 4.170 0.170 4 0 "[ . 1 . 2 . ]" 1
307 1 29 LYS H 1 30 ARG H 1.800 . 5.000 4.443 4.411 4.507 . 0 0 "[ . 1 . 2 . ]" 1
308 1 29 LYS H 1 32 ASP HB3 1.800 . 4.000 2.721 2.448 3.100 . 0 0 "[ . 1 . 2 . ]" 1
309 1 29 LYS H 1 32 ASP HB2 1.800 . 3.000 1.954 1.908 1.991 . 0 0 "[ . 1 . 2 . ]" 1
310 1 29 LYS H 1 32 ASP H 1.800 . 5.000 3.732 3.622 3.848 . 0 0 "[ . 1 . 2 . ]" 1
311 1 29 LYS H 1 34 LEU QD 1.800 . 5.000 4.376 4.022 4.909 . 0 0 "[ . 1 . 2 . ]" 1
312 1 29 LYS H 1 50 LEU QD 1.800 . 4.000 3.558 3.202 3.842 . 0 0 "[ . 1 . 2 . ]" 1
313 1 30 ARG HA 1 30 ARG HB3 1.800 . 3.000 3.020 3.012 3.028 0.028 27 0 "[ . 1 . 2 . ]" 1
314 1 30 ARG HA 1 30 ARG HB2 1.800 . 3.000 2.493 2.410 2.568 . 0 0 "[ . 1 . 2 . ]" 1
315 1 30 ARG HA 1 30 ARG QG 1.800 . 2.500 2.284 2.129 2.520 0.020 8 0 "[ . 1 . 2 . ]" 1
316 1 30 ARG HB3 1 30 ARG QD 1.800 . 4.000 2.511 1.959 2.850 . 0 0 "[ . 1 . 2 . ]" 1
317 1 30 ARG HB3 1 30 ARG QG 1.800 . 2.500 2.287 2.226 2.554 0.054 27 0 "[ . 1 . 2 . ]" 1
318 1 30 ARG HB2 1 30 ARG QD 1.800 . 3.000 2.207 1.965 2.995 . 0 0 "[ . 1 . 2 . ]" 1
319 1 30 ARG HB2 1 30 ARG QG 1.800 . 2.500 2.434 2.172 2.503 0.003 14 0 "[ . 1 . 2 . ]" 1
320 1 30 ARG QD 1 30 ARG QG 1.800 . 2.500 2.074 2.052 2.097 . 0 0 "[ . 1 . 2 . ]" 1
321 1 30 ARG H 1 30 ARG HA 1.800 . 3.000 2.890 2.878 2.925 . 0 0 "[ . 1 . 2 . ]" 1
322 1 30 ARG H 1 30 ARG HB3 1.800 . 3.000 2.510 2.334 2.696 . 0 0 "[ . 1 . 2 . ]" 1
323 1 30 ARG H 1 30 ARG HB2 1.800 . 3.000 2.488 2.331 2.834 . 0 0 "[ . 1 . 2 . ]" 1
324 1 30 ARG H 1 30 ARG QD 1.800 . 4.000 4.223 4.001 4.281 0.281 20 0 "[ . 1 . 2 . ]" 1
325 1 30 ARG H 1 30 ARG QG 1.800 . 4.000 3.959 3.935 4.043 0.043 8 0 "[ . 1 . 2 . ]" 1
326 1 30 ARG HA 1 31 GLY QA 1.800 . 4.000 3.969 3.950 4.007 0.007 19 0 "[ . 1 . 2 . ]" 1
327 1 30 ARG HA 1 31 GLY H 1.800 . 2.500 2.214 2.186 2.283 . 0 0 "[ . 1 . 2 . ]" 1
328 1 30 ARG HB3 1 31 GLY H 1.800 . 5.000 4.347 4.045 4.516 . 0 0 "[ . 1 . 2 . ]" 1
329 1 30 ARG QG 1 31 GLY QA 1.800 . 5.000 3.603 3.411 3.758 . 0 0 "[ . 1 . 2 . ]" 1
330 1 30 ARG QG 1 31 GLY H 1.800 . 4.000 3.215 2.765 3.451 . 0 0 "[ . 1 . 2 . ]" 1
331 1 30 ARG H 1 31 GLY H 1.800 . 5.000 4.367 4.235 4.584 . 0 0 "[ . 1 . 2 . ]" 1
332 1 30 ARG HA 1 32 ASP H 1.800 . 4.000 3.646 3.417 3.834 . 0 0 "[ . 1 . 2 . ]" 1
333 1 31 GLY QA 1 32 ASP H 1.800 . 4.000 2.959 2.936 2.966 . 0 0 "[ . 1 . 2 . ]" 1
334 1 31 GLY H 1 32 ASP H 1.800 . 3.000 2.195 2.040 2.616 . 0 0 "[ . 1 . 2 . ]" 1
335 1 32 ASP HA 1 32 ASP HB3 1.800 . 3.000 2.815 2.689 2.908 . 0 0 "[ . 1 . 2 . ]" 1
336 1 32 ASP HA 1 32 ASP HB2 1.800 . 3.000 2.853 2.784 2.933 . 0 0 "[ . 1 . 2 . ]" 1
337 1 32 ASP H 1 32 ASP HA 1.800 . 2.500 2.859 2.829 2.877 0.377 28 0 "[ . 1 . 2 . ]" 1
338 1 32 ASP H 1 32 ASP HB3 1.800 . 3.000 3.176 3.067 3.314 0.314 1 0 "[ . 1 . 2 . ]" 1
339 1 32 ASP H 1 32 ASP HB2 1.800 . 3.000 2.161 2.045 2.292 . 0 0 "[ . 1 . 2 . ]" 1
340 1 32 ASP HA 1 33 ILE HB 1.800 . 5.000 4.952 4.872 5.009 0.009 8 0 "[ . 1 . 2 . ]" 1
341 1 32 ASP HA 1 33 ILE H 1.800 . 2.500 2.256 2.166 2.335 . 0 0 "[ . 1 . 2 . ]" 1
342 1 32 ASP HB3 1 33 ILE H 1.800 . 4.000 4.076 4.001 4.125 0.125 7 0 "[ . 1 . 2 . ]" 1
343 1 32 ASP H 1 33 ILE H 1.800 . 4.000 4.027 3.906 4.137 0.137 11 0 "[ . 1 . 2 . ]" 1
344 1 32 ASP HB3 1 34 LEU QD 1.800 . 4.000 3.103 2.684 3.646 . 0 0 "[ . 1 . 2 . ]" 1
345 1 32 ASP HB2 1 34 LEU QD 1.800 . 4.000 4.101 3.923 4.156 0.156 16 0 "[ . 1 . 2 . ]" 1
346 1 32 ASP HA 1 50 LEU QD 1.800 . 4.000 3.571 3.102 3.932 . 0 0 "[ . 1 . 2 . ]" 1
347 1 32 ASP HB3 1 50 LEU QD 1.800 . 4.000 2.320 1.872 2.672 . 0 0 "[ . 1 . 2 . ]" 1
348 1 33 ILE HA 1 33 ILE MD 1.800 . 4.000 3.743 3.699 3.787 . 0 0 "[ . 1 . 2 . ]" 1
349 1 33 ILE HA 1 33 ILE QG 1.800 . 4.000 2.515 2.481 2.549 . 0 0 "[ . 1 . 2 . ]" 1
350 1 33 ILE HA 1 33 ILE MG 1.800 . 2.500 2.214 2.194 2.249 . 0 0 "[ . 1 . 2 . ]" 1
351 1 33 ILE HB 1 33 ILE MD 1.800 . 2.500 2.507 2.461 2.546 0.046 27 0 "[ . 1 . 2 . ]" 1
352 1 33 ILE HB 1 33 ILE MG 1.800 . 2.500 2.134 2.118 2.142 . 0 0 "[ . 1 . 2 . ]" 1
353 1 33 ILE MD 1 33 ILE QG 1.800 . 2.500 1.887 1.874 1.908 . 0 0 "[ . 1 . 2 . ]" 1
354 1 33 ILE QG 1 33 ILE MG 1.800 . 2.500 2.387 2.313 2.423 . 0 0 "[ . 1 . 2 . ]" 1
355 1 33 ILE H 1 33 ILE HB 1.800 . 3.000 2.780 2.726 2.820 . 0 0 "[ . 1 . 2 . ]" 1
356 1 33 ILE H 1 33 ILE MD 1.800 . 4.000 3.677 3.614 3.735 . 0 0 "[ . 1 . 2 . ]" 1
357 1 33 ILE H 1 33 ILE QG 1.800 . 4.000 1.945 1.911 2.018 . 0 0 "[ . 1 . 2 . ]" 1
358 1 33 ILE H 1 33 ILE MG 1.800 . 4.000 3.768 3.748 3.788 . 0 0 "[ . 1 . 2 . ]" 1
359 1 33 ILE HA 1 34 LEU H 1.800 . 2.500 2.171 2.089 2.259 . 0 0 "[ . 1 . 2 . ]" 1
360 1 33 ILE HB 1 34 LEU H 1.800 . 4.000 3.920 3.741 4.060 0.060 15 0 "[ . 1 . 2 . ]" 1
361 1 33 ILE MD 1 34 LEU H 1.800 . 5.000 4.950 4.800 5.064 0.064 16 0 "[ . 1 . 2 . ]" 1
362 1 33 ILE MG 1 34 LEU H 1.800 . 3.000 2.223 1.969 2.518 . 0 0 "[ . 1 . 2 . ]" 1
363 1 33 ILE H 1 34 LEU H 1.800 . 5.000 4.570 4.477 4.634 . 0 0 "[ . 1 . 2 . ]" 1
364 1 33 ILE MD 1 65 LYS QE 1.800 . 4.000 2.387 1.828 3.284 . 0 0 "[ . 1 . 2 . ]" 1
365 1 34 LEU HA 1 34 LEU QB 1.800 . 2.500 2.311 2.207 2.351 . 0 0 "[ . 1 . 2 . ]" 1
366 1 34 LEU HA 1 34 LEU QD 1.800 . 4.000 2.462 1.935 3.101 . 0 0 "[ . 1 . 2 . ]" 1
367 1 34 LEU HA 1 34 LEU HG 1.800 . 4.000 3.247 2.360 3.841 . 0 0 "[ . 1 . 2 . ]" 1
368 1 34 LEU QB 1 34 LEU QD 1.800 . 2.500 1.920 1.784 2.016 0.016 3 0 "[ . 1 . 2 . ]" 1
369 1 34 LEU QB 1 34 LEU HG 1.800 . 2.500 2.322 2.188 2.517 0.017 14 0 "[ . 1 . 2 . ]" 1
370 1 34 LEU QD 1 34 LEU HG 1.800 . 3.000 1.895 1.877 1.910 . 0 0 "[ . 1 . 2 . ]" 1
371 1 34 LEU H 1 34 LEU QB 1.800 . 3.000 2.618 2.456 2.978 . 0 0 "[ . 1 . 2 . ]" 1
372 1 34 LEU H 1 34 LEU QD 1.800 . 4.000 1.894 1.805 2.247 . 0 0 "[ . 1 . 2 . ]" 1
373 1 34 LEU H 1 34 LEU HG 1.800 . 4.000 3.428 1.975 3.948 . 0 0 "[ . 1 . 2 . ]" 1
374 1 34 LEU HA 1 35 LYS H 1.800 . 2.500 2.449 2.359 2.555 0.055 5 0 "[ . 1 . 2 . ]" 1
375 1 34 LEU QB 1 35 LYS H 1.800 . 2.500 2.465 2.197 2.590 0.090 22 0 "[ . 1 . 2 . ]" 1
376 1 34 LEU QD 1 35 LYS H 1.800 . 4.000 3.781 3.591 3.932 . 0 0 "[ . 1 . 2 . ]" 1
377 1 34 LEU H 1 35 LYS H 1.800 . 5.000 4.608 4.536 4.655 . 0 0 "[ . 1 . 2 . ]" 1
378 1 34 LEU QD 1 48 ALA MB 1.800 . 4.000 3.078 2.342 3.631 . 0 0 "[ . 1 . 2 . ]" 1
379 1 34 LEU QD 1 50 LEU QD 1.800 . 4.000 1.781 1.707 1.899 0.093 19 0 "[ . 1 . 2 . ]" 1
380 1 34 LEU QD 1 57 ILE MD 1.800 . 3.000 2.145 1.703 2.985 0.097 6 0 "[ . 1 . 2 . ]" 1
381 1 34 LEU QD 1 62 ILE MG 1.800 . 2.500 2.083 1.771 2.510 0.029 25 0 "[ . 1 . 2 . ]" 1
382 1 35 LYS QE 1 35 LYS QG 1.800 . 4.000 2.218 1.964 2.746 . 0 0 "[ . 1 . 2 . ]" 1
383 1 35 LYS H 1 35 LYS QB 1.800 . 2.500 2.427 2.344 2.509 0.009 26 0 "[ . 1 . 2 . ]" 1
384 1 35 LYS HA 1 36 VAL H 1.800 . 2.500 2.270 2.222 2.309 . 0 0 "[ . 1 . 2 . ]" 1
385 1 35 LYS H 1 36 VAL H 1.800 . 5.000 4.153 4.031 4.331 . 0 0 "[ . 1 . 2 . ]" 1
386 1 35 LYS H 1 48 ALA MB 1.800 . 2.500 2.560 2.399 2.877 0.377 8 0 "[ . 1 . 2 . ]" 1
387 1 35 LYS QB 1 49 GLU QG 1.800 . 2.500 2.239 1.940 2.850 0.350 8 0 "[ . 1 . 2 . ]" 1
388 1 35 LYS H 1 49 GLU H 1.800 . 4.000 2.034 1.876 2.208 . 0 0 "[ . 1 . 2 . ]" 1
389 1 35 LYS H 1 50 LEU H 1.800 . 4.000 4.424 4.347 4.477 0.477 18 0 "[ . 1 . 2 . ]" 1
390 1 36 VAL HA 1 36 VAL QG 1.800 . 2.500 2.107 2.022 2.234 . 0 0 "[ . 1 . 2 . ]" 1
391 1 36 VAL HB 1 36 VAL QG 1.800 . 2.500 1.904 1.893 1.917 . 0 0 "[ . 1 . 2 . ]" 1
392 1 36 VAL H 1 36 VAL HA 1.800 . 3.000 2.827 2.776 2.855 . 0 0 "[ . 1 . 2 . ]" 1
393 1 36 VAL H 1 36 VAL HB 1.800 . 3.000 2.658 2.315 2.934 . 0 0 "[ . 1 . 2 . ]" 1
394 1 36 VAL H 1 36 VAL QG 1.800 . 2.500 2.025 1.930 2.535 0.035 24 0 "[ . 1 . 2 . ]" 1
395 1 36 VAL HA 1 37 LEU QD 1.800 . 5.000 3.775 3.501 4.149 . 0 0 "[ . 1 . 2 . ]" 1
396 1 36 VAL HA 1 37 LEU H 1.800 . 2.500 2.144 2.055 2.193 . 0 0 "[ . 1 . 2 . ]" 1
397 1 36 VAL QG 1 37 LEU QD 1.800 . 4.000 4.075 3.870 4.268 0.268 26 0 "[ . 1 . 2 . ]" 1
398 1 36 VAL QG 1 37 LEU H 1.800 . 3.000 2.890 2.696 3.060 0.060 25 0 "[ . 1 . 2 . ]" 1
399 1 36 VAL QG 1 38 ASN HA 1.800 . 4.000 3.645 3.322 3.880 . 0 0 "[ . 1 . 2 . ]" 1
400 1 36 VAL QG 1 38 ASN H 1.800 . 4.000 2.487 1.960 3.214 . 0 0 "[ . 1 . 2 . ]" 1
401 1 36 VAL QG 1 46 TYR HB3 1.800 . 3.000 2.291 1.915 2.773 . 0 0 "[ . 1 . 2 . ]" 1
402 1 36 VAL QG 1 46 TYR HB2 1.800 . 3.000 3.060 2.718 3.162 0.162 3 0 "[ . 1 . 2 . ]" 1
403 1 36 VAL QG 1 46 TYR QD 1.800 . 4.000 3.031 2.812 3.245 . 0 0 "[ . 1 . 2 . ]" 1
404 1 36 VAL QG 1 46 TYR QE 1.800 . 4.000 4.005 3.649 4.193 0.193 4 0 "[ . 1 . 2 . ]" 1
405 1 36 VAL HA 1 48 ALA HA 1.800 . 3.000 2.421 1.983 2.956 . 0 0 "[ . 1 . 2 . ]" 1
406 1 36 VAL HA 1 48 ALA MB 1.800 . 3.000 1.950 1.876 2.413 . 0 0 "[ . 1 . 2 . ]" 1
407 1 36 VAL HA 1 49 GLU H 1.800 . 4.000 3.978 3.788 4.185 0.185 24 0 "[ . 1 . 2 . ]" 1
408 1 37 LEU HA 1 37 LEU QD 1.800 . 4.000 2.821 1.947 3.318 . 0 0 "[ . 1 . 2 . ]" 1
409 1 37 LEU HA 1 37 LEU HG 1.800 . 3.000 2.838 2.389 3.036 0.036 26 0 "[ . 1 . 2 . ]" 1
410 1 37 LEU QB 1 37 LEU QD 1.800 . 2.500 1.824 1.762 1.968 0.038 7 0 "[ . 1 . 2 . ]" 1
411 1 37 LEU QB 1 37 LEU HG 1.800 . 2.500 2.497 2.309 2.561 0.061 6 0 "[ . 1 . 2 . ]" 1
412 1 37 LEU QD 1 37 LEU HG 1.800 . 3.000 1.907 1.887 1.922 . 0 0 "[ . 1 . 2 . ]" 1
413 1 37 LEU H 1 37 LEU QB 1.800 . 4.000 2.632 2.045 2.946 . 0 0 "[ . 1 . 2 . ]" 1
414 1 37 LEU H 1 37 LEU QD 1.800 . 3.000 2.477 2.004 2.998 . 0 0 "[ . 1 . 2 . ]" 1
415 1 37 LEU HA 1 38 ASN H 1.800 . 5.000 3.534 3.426 3.600 . 0 0 "[ . 1 . 2 . ]" 1
416 1 37 LEU H 1 38 ASN H 1.800 . 4.000 2.244 2.097 2.511 . 0 0 "[ . 1 . 2 . ]" 1
417 1 37 LEU QB 1 47 LYS QD 1.800 . 4.000 2.156 1.801 2.945 . 0 0 "[ . 1 . 2 . ]" 1
418 1 37 LEU QD 1 48 ALA HA 1.800 . 4.000 2.113 1.897 2.715 . 0 0 "[ . 1 . 2 . ]" 1
419 1 37 LEU QD 1 48 ALA H 1.800 . 5.000 2.851 2.486 3.597 . 0 0 "[ . 1 . 2 . ]" 1
420 1 37 LEU H 1 48 ALA HA 1.800 . 2.500 1.812 1.773 1.875 0.027 26 0 "[ . 1 . 2 . ]" 1
421 1 37 LEU QD 1 49 GLU QB 1.800 . 3.000 1.743 1.675 2.016 0.125 24 0 "[ . 1 . 2 . ]" 1
422 1 37 LEU QD 1 49 GLU QG 1.800 . 4.000 2.732 2.327 3.186 . 0 0 "[ . 1 . 2 . ]" 1
423 1 37 LEU H 1 49 GLU H 1.800 . 4.000 4.075 3.889 4.180 0.180 27 0 "[ . 1 . 2 . ]" 1
424 1 37 LEU QD 1 54 ASP QB 1.800 . 5.000 2.089 1.805 3.466 . 0 0 "[ . 1 . 2 . ]" 1
425 1 37 LEU QD 1 55 GLY QA 1.800 . 4.000 4.226 4.160 4.367 0.367 29 0 "[ . 1 . 2 . ]" 1
426 1 38 ASN HA 1 38 ASN HB3 1.800 . 3.000 2.924 2.402 3.019 0.019 18 0 "[ . 1 . 2 . ]" 1
427 1 38 ASN HA 1 38 ASN HB2 1.800 . 3.000 2.697 2.546 3.021 0.021 23 0 "[ . 1 . 2 . ]" 1
428 1 38 ASN H 1 38 ASN HB3 1.800 . 4.000 3.284 2.897 4.034 0.034 23 0 "[ . 1 . 2 . ]" 1
429 1 38 ASN H 1 38 ASN HB2 1.800 . 4.000 3.067 2.795 3.228 . 0 0 "[ . 1 . 2 . ]" 1
430 1 38 ASN HA 1 47 LYS QD 1.800 . 4.000 4.113 4.050 4.258 0.258 29 0 "[ . 1 . 2 . ]" 1
431 1 38 ASN HB3 1 47 LYS QB 1.800 . 4.000 2.408 1.833 3.660 . 0 0 "[ . 1 . 2 . ]" 1
432 1 38 ASN HB2 1 47 LYS QB 1.800 . 4.000 2.889 1.936 3.972 . 0 0 "[ . 1 . 2 . ]" 1
433 1 38 ASN H 1 47 LYS QB 1.800 . 3.000 2.282 1.938 2.898 . 0 0 "[ . 1 . 2 . ]" 1
434 1 38 ASN H 1 48 ALA MB 1.800 . 4.000 4.315 4.168 4.454 0.454 23 0 "[ . 1 . 2 . ]" 1
435 1 39 GLU HA 1 39 GLU QG 1.800 . 3.000 2.435 2.028 3.258 0.258 10 0 "[ . 1 . 2 . ]" 1
436 1 39 GLU QB 1 39 GLU QG 1.800 . 2.500 2.085 2.037 2.108 . 0 0 "[ . 1 . 2 . ]" 1
437 1 39 GLU HA 1 40 GLU H 1.800 . 2.500 2.609 2.244 2.885 0.385 15 0 "[ . 1 . 2 . ]" 1
438 1 40 GLU HA 1 40 GLU QG 1.800 . 3.000 2.439 2.178 3.257 0.257 22 0 "[ . 1 . 2 . ]" 1
439 1 40 GLU QB 1 40 GLU QG 1.800 . 2.500 2.082 2.024 2.108 . 0 0 "[ . 1 . 2 . ]" 1
440 1 40 GLU H 1 40 GLU QG 1.800 . 3.000 2.675 1.968 3.067 0.067 15 0 "[ . 1 . 2 . ]" 1
441 1 40 GLU HA 1 41 CYS H 1.800 . 2.500 2.606 2.261 2.774 0.274 10 0 "[ . 1 . 2 . ]" 1
442 1 40 GLU QB 1 41 CYS H 1.800 . 2.500 2.105 1.937 2.606 0.106 26 0 "[ . 1 . 2 . ]" 1
443 1 41 CYS H 1 41 CYS HA 1.800 . 3.000 2.525 2.336 2.886 . 0 0 "[ . 1 . 2 . ]" 1
444 1 41 CYS HA 1 42 ASP H 1.800 . 2.500 2.589 2.199 2.828 0.328 2 0 "[ . 1 . 2 . ]" 1
445 1 41 CYS QB 1 42 ASP H 1.800 . 2.500 2.305 1.909 2.800 0.300 21 0 "[ . 1 . 2 . ]" 1
446 1 42 ASP HA 1 42 ASP HB2 1.800 . 3.000 2.613 2.356 2.680 . 0 0 "[ . 1 . 2 . ]" 1
447 1 42 ASP H 1 42 ASP HA 1.800 . 2.500 2.672 2.306 2.844 0.344 20 0 "[ . 1 . 2 . ]" 1
448 1 42 ASP H 1 42 ASP HB3 1.800 . 3.000 3.164 3.031 3.493 0.493 29 0 "[ . 1 . 2 . ]" 1
449 1 42 ASP H 1 42 ASP HB2 1.800 . 4.000 2.594 2.168 3.871 . 0 0 "[ . 1 . 2 . ]" 1
450 1 42 ASP HA 1 43 GLN HA 1.800 . 4.000 4.300 4.239 4.470 0.470 20 0 "[ . 1 . 2 . ]" 1
451 1 42 ASP HA 1 43 GLN QB 1.800 . 5.000 4.306 3.976 4.830 . 0 0 "[ . 1 . 2 . ]" 1
452 1 42 ASP HB2 1 43 GLN H 1.800 . 4.000 3.899 3.108 4.081 0.081 15 0 "[ . 1 . 2 . ]" 1
453 1 42 ASP HB3 1 45 TRP H 1.800 . 4.000 2.586 2.308 4.209 0.209 21 0 "[ . 1 . 2 . ]" 1
454 1 42 ASP HB2 1 45 TRP H 1.800 . 4.000 4.104 3.798 4.280 0.280 21 0 "[ . 1 . 2 . ]" 1
455 1 43 GLN HA 1 43 GLN QB 1.800 . 2.500 2.437 2.183 2.532 0.032 15 0 "[ . 1 . 2 . ]" 1
456 1 43 GLN HA 1 43 GLN QG 1.800 . 3.000 2.315 2.009 3.274 0.274 18 0 "[ . 1 . 2 . ]" 1
457 1 43 GLN QB 1 43 GLN QG 1.800 . 2.500 2.076 2.033 2.107 . 0 0 "[ . 1 . 2 . ]" 1
458 1 43 GLN H 1 43 GLN HA 1.800 . 3.000 2.898 2.803 2.925 . 0 0 "[ . 1 . 2 . ]" 1
459 1 43 GLN H 1 43 GLN QB 1.800 . 3.000 2.361 2.126 2.783 . 0 0 "[ . 1 . 2 . ]" 1
460 1 43 GLN H 1 43 GLN QG 1.800 . 4.000 3.215 1.966 4.053 0.053 11 0 "[ . 1 . 2 . ]" 1
461 1 43 GLN HA 1 44 ASN H 1.800 . 3.000 3.072 2.201 3.447 0.447 27 0 "[ . 1 . 2 . ]" 1
462 1 43 GLN QB 1 44 ASN H 1.800 . 4.000 3.552 2.249 4.041 0.041 5 0 "[ . 1 . 2 . ]" 1
463 1 43 GLN H 1 44 ASN H 1.800 . 5.000 2.754 1.990 4.259 . 0 0 "[ . 1 . 2 . ]" 1
464 1 44 ASN HA 1 44 ASN HB3 1.800 . 2.500 2.587 2.467 2.638 0.138 21 0 "[ . 1 . 2 . ]" 1
465 1 44 ASN H 1 44 ASN HA 1.800 . 3.000 2.808 2.297 2.958 . 0 0 "[ . 1 . 2 . ]" 1
466 1 44 ASN H 1 44 ASN HB2 1.800 . 3.000 2.825 2.507 3.365 0.365 20 0 "[ . 1 . 2 . ]" 1
467 1 44 ASN H 1 44 ASN QD 1.800 . 5.000 4.085 2.273 4.992 . 0 0 "[ . 1 . 2 . ]" 1
468 1 44 ASN HA 1 45 TRP H 1.800 . 3.000 3.203 2.710 3.459 0.459 22 0 "[ . 1 . 2 . ]" 1
469 1 44 ASN HB3 1 45 TRP H 1.800 . 4.000 4.057 3.546 4.257 0.257 20 0 "[ . 1 . 2 . ]" 1
470 1 44 ASN HB2 1 45 TRP HE1 1.800 . 4.000 3.299 2.985 4.060 0.060 10 0 "[ . 1 . 2 . ]" 1
471 1 44 ASN HB2 1 45 TRP H 1.800 . 4.000 3.634 2.631 4.276 0.276 12 0 "[ . 1 . 2 . ]" 1
472 1 44 ASN H 1 45 TRP H 1.800 . 3.000 2.079 1.859 2.829 . 0 0 "[ . 1 . 2 . ]" 1
473 1 44 ASN HA 1 59 LYS QB 1.800 . 5.000 3.261 2.682 3.711 . 0 0 "[ . 1 . 2 . ]" 1
474 1 44 ASN HA 1 59 LYS QD 1.800 . 3.000 3.147 3.077 3.220 0.220 10 0 "[ . 1 . 2 . ]" 1
475 1 45 TRP HA 1 45 TRP HB3 1.800 . 3.000 2.428 2.387 2.455 . 0 0 "[ . 1 . 2 . ]" 1
476 1 45 TRP HB2 1 45 TRP HD1 1.800 . 3.000 2.999 2.754 3.061 0.061 16 0 "[ . 1 . 2 . ]" 1
477 1 45 TRP H 1 45 TRP HB3 1.800 . 4.000 3.922 3.768 4.049 0.049 12 0 "[ . 1 . 2 . ]" 1
478 1 45 TRP H 1 45 TRP HB2 1.800 . 3.000 2.874 2.705 3.078 0.078 12 0 "[ . 1 . 2 . ]" 1
479 1 45 TRP H 1 45 TRP HD1 1.800 . 3.000 2.342 1.882 2.943 . 0 0 "[ . 1 . 2 . ]" 1
480 1 45 TRP HB3 1 45 TRP HE3 1.800 . 2.500 2.559 2.531 2.585 0.085 25 0 "[ . 1 . 2 . ]" 1
481 1 45 TRP HB2 1 45 TRP HE3 1.800 . 4.000 3.903 3.835 4.081 0.081 12 0 "[ . 1 . 2 . ]" 1
482 1 45 TRP HA 1 46 TYR H 1.800 . 2.500 2.301 2.147 2.589 0.089 7 0 "[ . 1 . 2 . ]" 1
483 1 45 TRP HB3 1 46 TYR H 1.800 . 3.000 2.954 2.172 3.171 0.171 3 0 "[ . 1 . 2 . ]" 1
484 1 45 TRP HB2 1 46 TYR H 1.800 . 4.000 3.834 3.139 4.046 0.046 3 0 "[ . 1 . 2 . ]" 1
485 1 45 TRP H 1 46 TYR H 1.800 . 5.000 4.442 4.294 4.630 . 0 0 "[ . 1 . 2 . ]" 1
486 1 45 TRP HB3 1 57 ILE H 1.800 . 5.000 2.578 2.225 3.054 . 0 0 "[ . 1 . 2 . ]" 1
487 1 45 TRP HA 1 58 PRO HA 1.800 . 3.000 2.537 1.947 2.771 . 0 0 "[ . 1 . 2 . ]" 1
488 1 45 TRP HE1 1 58 PRO HB3 1.800 . 4.000 4.143 4.083 4.219 0.219 15 0 "[ . 1 . 2 . ]" 1
489 1 45 TRP HE3 1 58 PRO HD3 1.800 . 2.500 2.021 1.957 2.061 . 0 0 "[ . 1 . 2 . ]" 1
490 1 45 TRP HE3 1 58 PRO HD2 1.800 . 3.000 3.469 3.436 3.498 0.498 13 0 "[ . 1 . 2 . ]" 1
491 1 45 TRP HZ3 1 58 PRO HD3 1.800 . 2.500 2.022 1.946 2.144 . 0 0 "[ . 1 . 2 . ]" 1
492 1 45 TRP HZ3 1 58 PRO HD2 1.800 . 4.000 3.581 3.480 3.670 . 0 0 "[ . 1 . 2 . ]" 1
493 1 45 TRP HE3 1 58 PRO HG3 1.800 . 4.000 3.628 3.570 3.705 . 0 0 "[ . 1 . 2 . ]" 1
494 1 45 TRP HZ3 1 58 PRO HG3 1.800 . 4.000 2.294 2.256 2.386 . 0 0 "[ . 1 . 2 . ]" 1
495 1 45 TRP HA 1 59 LYS H 1.800 . 3.000 2.016 1.891 2.315 . 0 0 "[ . 1 . 2 . ]" 1
496 1 46 TYR HA 1 46 TYR HB3 1.800 . 3.000 2.460 2.317 2.574 . 0 0 "[ . 1 . 2 . ]" 1
497 1 46 TYR HA 1 46 TYR QD 1.800 . 3.000 2.194 1.988 3.043 0.043 29 0 "[ . 1 . 2 . ]" 1
498 1 46 TYR H 1 46 TYR HB3 1.800 . 4.000 3.730 3.605 3.921 . 0 0 "[ . 1 . 2 . ]" 1
499 1 46 TYR H 1 46 TYR HB2 1.800 . 3.000 2.604 2.340 2.942 . 0 0 "[ . 1 . 2 . ]" 1
500 1 46 TYR HA 1 47 LYS H 1.800 . 3.000 2.511 2.219 2.906 . 0 0 "[ . 1 . 2 . ]" 1
501 1 46 TYR HB3 1 47 LYS H 1.800 . 4.000 2.364 1.859 3.098 . 0 0 "[ . 1 . 2 . ]" 1
502 1 46 TYR HB3 1 48 ALA MB 1.800 . 5.000 3.843 3.328 4.813 . 0 0 "[ . 1 . 2 . ]" 1
503 1 46 TYR HB3 1 57 ILE H 1.800 . 5.000 5.132 4.990 5.229 0.229 8 0 "[ . 1 . 2 . ]" 1
504 1 46 TYR HB2 1 57 ILE H 1.800 . 4.000 4.021 3.913 4.085 0.085 5 0 "[ . 1 . 2 . ]" 1
505 1 46 TYR H 1 57 ILE QG 1.800 . 4.000 2.315 1.974 2.822 . 0 0 "[ . 1 . 2 . ]" 1
506 1 46 TYR H 1 57 ILE H 1.800 . 4.000 2.660 1.950 3.123 . 0 0 "[ . 1 . 2 . ]" 1
507 1 46 TYR H 1 58 PRO HA 1.800 . 5.000 4.218 3.804 4.399 . 0 0 "[ . 1 . 2 . ]" 1
508 1 46 TYR QE 1 59 LYS HA 1.800 . 4.000 3.713 2.647 4.024 0.024 5 0 "[ . 1 . 2 . ]" 1
509 1 46 TYR H 1 59 LYS H 1.800 . 5.000 3.612 3.304 4.156 . 0 0 "[ . 1 . 2 . ]" 1
510 1 46 TYR QE 1 62 ILE MG 1.800 . 4.000 4.148 4.089 4.219 0.219 4 0 "[ . 1 . 2 . ]" 1
511 1 47 LYS HA 1 47 LYS QD 1.800 . 4.000 3.954 3.499 4.112 0.112 24 0 "[ . 1 . 2 . ]" 1
512 1 47 LYS HA 1 47 LYS QG 1.800 . 4.000 2.299 2.126 2.424 . 0 0 "[ . 1 . 2 . ]" 1
513 1 47 LYS QB 1 47 LYS QD 1.800 . 2.500 1.977 1.927 2.088 . 0 0 "[ . 1 . 2 . ]" 1
514 1 47 LYS QB 1 47 LYS QE 1.800 . 3.000 3.008 2.522 3.149 0.149 27 0 "[ . 1 . 2 . ]" 1
515 1 47 LYS QD 1 47 LYS QE 1.800 . 3.000 2.097 2.055 2.110 . 0 0 "[ . 1 . 2 . ]" 1
516 1 47 LYS QD 1 47 LYS QG 1.800 . 2.500 2.060 2.043 2.074 . 0 0 "[ . 1 . 2 . ]" 1
517 1 47 LYS QE 1 47 LYS QG 1.800 . 3.000 2.050 1.932 2.119 . 0 0 "[ . 1 . 2 . ]" 1
518 1 47 LYS H 1 47 LYS QG 1.800 . 4.000 4.029 3.049 4.192 0.192 25 0 "[ . 1 . 2 . ]" 1
519 1 47 LYS HA 1 48 ALA H 1.800 . 2.500 2.309 2.221 2.545 0.045 27 0 "[ . 1 . 2 . ]" 1
520 1 47 LYS QB 1 48 ALA H 1.800 . 4.000 3.661 2.328 4.038 0.038 25 0 "[ . 1 . 2 . ]" 1
521 1 47 LYS QD 1 48 ALA H 1.800 . 4.000 4.025 3.692 4.210 0.210 27 0 "[ . 1 . 2 . ]" 1
522 1 47 LYS HA 1 55 GLY QA 1.800 . 4.000 4.136 3.871 4.257 0.257 13 0 "[ . 1 . 2 . ]" 1
523 1 47 LYS QE 1 55 GLY QA 1.800 . 4.000 4.051 3.763 4.109 0.109 12 0 "[ . 1 . 2 . ]" 1
524 1 47 LYS HA 1 56 PHE HA 1.800 . 3.000 2.229 1.879 2.629 . 0 0 "[ . 1 . 2 . ]" 1
525 1 47 LYS HA 1 57 ILE H 1.800 . 4.000 3.855 3.287 4.064 0.064 7 0 "[ . 1 . 2 . ]" 1
526 1 48 ALA HA 1 48 ALA MB 1.800 . 2.500 2.128 2.112 2.144 . 0 0 "[ . 1 . 2 . ]" 1
527 1 48 ALA H 1 48 ALA MB 1.800 . 3.000 2.761 2.413 3.014 0.014 27 0 "[ . 1 . 2 . ]" 1
528 1 48 ALA HA 1 49 GLU QB 1.800 . 3.000 3.436 3.344 3.475 0.475 8 0 "[ . 1 . 2 . ]" 1
529 1 48 ALA HA 1 49 GLU H 1.800 . 2.500 2.564 2.443 2.598 0.098 28 0 "[ . 1 . 2 . ]" 1
530 1 48 ALA MB 1 49 GLU H 1.800 . 2.500 1.949 1.841 2.084 . 0 0 "[ . 1 . 2 . ]" 1
531 1 48 ALA H 1 49 GLU H 1.800 . 5.000 4.389 4.359 4.437 . 0 0 "[ . 1 . 2 . ]" 1
532 1 48 ALA H 1 55 GLY H 1.800 . 4.000 2.767 2.475 3.707 . 0 0 "[ . 1 . 2 . ]" 1
533 1 48 ALA H 1 56 PHE HA 1.800 . 4.000 3.765 3.332 4.086 0.086 6 0 "[ . 1 . 2 . ]" 1
534 1 48 ALA H 1 57 ILE H 1.800 . 5.000 5.033 4.592 5.136 0.136 12 0 "[ . 1 . 2 . ]" 1
535 1 49 GLU HA 1 49 GLU QG 1.800 . 5.000 3.069 2.084 3.175 . 0 0 "[ . 1 . 2 . ]" 1
536 1 49 GLU QB 1 49 GLU QG 1.800 . 2.500 2.105 2.015 2.118 . 0 0 "[ . 1 . 2 . ]" 1
537 1 49 GLU H 1 49 GLU HA 1.800 . 3.000 2.902 2.884 2.946 . 0 0 "[ . 1 . 2 . ]" 1
538 1 49 GLU H 1 49 GLU QG 1.800 . 4.000 3.309 3.156 4.076 0.076 4 0 "[ . 1 . 2 . ]" 1
539 1 49 GLU HA 1 50 LEU H 1.800 . 4.000 2.061 2.021 2.278 . 0 0 "[ . 1 . 2 . ]" 1
540 1 49 GLU QB 1 50 LEU H 1.800 . 3.000 3.280 3.060 3.335 0.335 28 0 "[ . 1 . 2 . ]" 1
541 1 49 GLU QG 1 50 LEU H 1.800 . 3.000 3.075 2.022 3.189 0.189 5 0 "[ . 1 . 2 . ]" 1
542 1 49 GLU QB 1 51 ASN H 1.800 . 5.000 5.017 3.956 5.139 0.139 21 0 "[ . 1 . 2 . ]" 1
543 1 49 GLU QB 1 52 GLY H 1.800 . 4.000 4.014 3.927 4.147 0.147 8 0 "[ . 1 . 2 . ]" 1
544 1 49 GLU QG 1 52 GLY H 1.800 . 3.000 2.401 2.069 3.162 0.162 8 0 "[ . 1 . 2 . ]" 1
545 1 49 GLU HA 1 54 ASP HA 1.800 . 2.500 1.863 1.815 2.053 . 0 0 "[ . 1 . 2 . ]" 1
546 1 49 GLU QG 1 54 ASP QB 1.800 . 4.000 3.810 3.655 4.273 0.273 19 0 "[ . 1 . 2 . ]" 1
547 1 49 GLU HA 1 55 GLY H 1.800 . 5.000 3.902 3.781 3.984 . 0 0 "[ . 1 . 2 . ]" 1
548 1 50 LEU HA 1 50 LEU HB3 1.800 . 3.000 2.664 2.659 2.681 . 0 0 "[ . 1 . 2 . ]" 1
549 1 50 LEU HA 1 50 LEU QD 1.800 . 2.500 2.013 1.927 2.075 . 0 0 "[ . 1 . 2 . ]" 1
550 1 50 LEU HB3 1 50 LEU QD 1.800 . 3.000 2.070 2.035 2.098 . 0 0 "[ . 1 . 2 . ]" 1
551 1 50 LEU HB2 1 50 LEU QD 1.800 . 3.000 2.139 2.009 2.206 . 0 0 "[ . 1 . 2 . ]" 1
552 1 50 LEU QD 1 50 LEU HG 1.800 . 2.500 1.910 1.897 1.919 . 0 0 "[ . 1 . 2 . ]" 1
553 1 50 LEU H 1 50 LEU HB3 1.800 . 4.000 3.600 3.570 3.827 . 0 0 "[ . 1 . 2 . ]" 1
554 1 50 LEU H 1 50 LEU HB2 1.800 . 4.000 2.390 2.325 2.883 . 0 0 "[ . 1 . 2 . ]" 1
555 1 50 LEU H 1 50 LEU QD 1.800 . 5.000 3.566 3.511 3.905 . 0 0 "[ . 1 . 2 . ]" 1
556 1 50 LEU HA 1 51 ASN HA 1.800 . 4.000 4.289 4.261 4.305 0.305 24 0 "[ . 1 . 2 . ]" 1
557 1 50 LEU HA 1 51 ASN H 1.800 . 2.500 2.018 2.010 2.026 . 0 0 "[ . 1 . 2 . ]" 1
558 1 50 LEU HB3 1 51 ASN H 1.800 . 4.000 3.841 3.810 3.909 . 0 0 "[ . 1 . 2 . ]" 1
559 1 50 LEU QD 1 51 ASN HB2 1.800 . 4.000 3.632 3.427 3.707 . 0 0 "[ . 1 . 2 . ]" 1
560 1 50 LEU QD 1 51 ASN H 1.800 . 3.000 3.175 3.141 3.211 0.211 11 0 "[ . 1 . 2 . ]" 1
561 1 50 LEU HG 1 51 ASN H 1.800 . 4.000 4.312 4.269 4.353 0.353 7 0 "[ . 1 . 2 . ]" 1
562 1 50 LEU H 1 51 ASN H 1.800 . 5.000 3.968 3.468 4.023 . 0 0 "[ . 1 . 2 . ]" 1
563 1 50 LEU H 1 52 GLY H 1.800 . 5.000 3.474 2.640 3.675 . 0 0 "[ . 1 . 2 . ]" 1
564 1 50 LEU QD 1 53 LYS HB2 1.800 . 4.000 4.077 3.965 4.140 0.140 3 0 "[ . 1 . 2 . ]" 1
565 1 50 LEU H 1 53 LYS H 1.800 . 4.000 3.281 3.160 3.511 . 0 0 "[ . 1 . 2 . ]" 1
566 1 50 LEU H 1 54 ASP HA 1.800 . 3.000 3.192 3.122 3.315 0.315 8 0 "[ . 1 . 2 . ]" 1
567 1 51 ASN HA 1 51 ASN HB3 1.800 . 3.000 2.656 2.620 2.659 . 0 0 "[ . 1 . 2 . ]" 1
568 1 51 ASN HA 1 51 ASN QD 1.800 . 5.000 3.145 1.971 3.856 . 0 0 "[ . 1 . 2 . ]" 1
569 1 51 ASN H 1 51 ASN HA 1.800 . 3.000 2.334 2.317 2.345 . 0 0 "[ . 1 . 2 . ]" 1
570 1 51 ASN H 1 51 ASN HB2 1.800 . 3.000 3.067 3.036 3.117 0.117 29 0 "[ . 1 . 2 . ]" 1
571 1 51 ASN HA 1 52 GLY QA 1.800 . 5.000 4.126 4.121 4.136 . 0 0 "[ . 1 . 2 . ]" 1
572 1 51 ASN HA 1 52 GLY H 1.800 . 4.000 3.088 3.054 3.129 . 0 0 "[ . 1 . 2 . ]" 1
573 1 51 ASN HB3 1 52 GLY H 1.800 . 4.000 4.206 4.197 4.244 0.244 8 0 "[ . 1 . 2 . ]" 1
574 1 51 ASN HB2 1 52 GLY H 1.800 . 4.000 4.050 3.986 4.074 0.074 24 0 "[ . 1 . 2 . ]" 1
575 1 51 ASN H 1 52 GLY H 1.800 . 4.000 3.109 2.992 3.167 . 0 0 "[ . 1 . 2 . ]" 1
576 1 51 ASN HB3 1 53 LYS H 1.800 . 5.000 5.082 4.891 5.137 0.137 24 0 "[ . 1 . 2 . ]" 1
577 1 51 ASN H 1 53 LYS H 1.800 . 5.000 4.710 4.549 4.849 . 0 0 "[ . 1 . 2 . ]" 1
578 1 52 GLY QA 1 53 LYS H 1.800 . 4.000 2.762 2.683 2.813 . 0 0 "[ . 1 . 2 . ]" 1
579 1 52 GLY H 1 53 LYS H 1.800 . 3.000 2.422 2.323 2.716 . 0 0 "[ . 1 . 2 . ]" 1
580 1 53 LYS HA 1 53 LYS HB3 1.800 . 2.500 2.630 2.617 2.637 0.137 8 0 "[ . 1 . 2 . ]" 1
581 1 53 LYS HA 1 53 LYS HB2 1.800 . 3.000 2.986 2.969 2.993 . 0 0 "[ . 1 . 2 . ]" 1
582 1 53 LYS HA 1 53 LYS QE 1.800 . 4.000 3.857 2.684 4.216 0.216 26 0 "[ . 1 . 2 . ]" 1
583 1 53 LYS HA 1 53 LYS QG 1.800 . 3.000 2.175 1.990 2.240 . 0 0 "[ . 1 . 2 . ]" 1
584 1 53 LYS HB3 1 53 LYS QE 1.800 . 5.000 2.906 1.945 3.675 . 0 0 "[ . 1 . 2 . ]" 1
585 1 53 LYS HB2 1 53 LYS QE 1.800 . 2.500 2.206 1.903 2.620 0.120 5 0 "[ . 1 . 2 . ]" 1
586 1 53 LYS HB2 1 53 LYS QG 1.800 . 2.500 2.456 2.383 2.533 0.033 19 0 "[ . 1 . 2 . ]" 1
587 1 53 LYS QE 1 53 LYS QG 1.800 . 4.000 2.308 2.143 2.547 . 0 0 "[ . 1 . 2 . ]" 1
588 1 53 LYS H 1 53 LYS HB3 1.800 . 4.000 3.482 3.446 3.493 . 0 0 "[ . 1 . 2 . ]" 1
589 1 53 LYS H 1 53 LYS HB2 1.800 . 3.000 2.222 2.161 2.249 . 0 0 "[ . 1 . 2 . ]" 1
590 1 53 LYS H 1 53 LYS QG 1.800 . 4.000 3.232 2.952 3.670 . 0 0 "[ . 1 . 2 . ]" 1
591 1 53 LYS HA 1 54 ASP H 1.800 . 2.500 2.422 2.298 2.603 0.103 4 0 "[ . 1 . 2 . ]" 1
592 1 53 LYS HB3 1 54 ASP H 1.800 . 2.500 2.266 1.919 2.529 0.029 13 0 "[ . 1 . 2 . ]" 1
593 1 53 LYS QE 1 54 ASP H 1.800 . 5.000 4.630 3.507 5.146 0.146 29 0 "[ . 1 . 2 . ]" 1
594 1 53 LYS QG 1 54 ASP H 1.800 . 3.000 3.213 3.159 3.318 0.318 19 0 "[ . 1 . 2 . ]" 1
595 1 53 LYS H 1 54 ASP HA 1.800 . 5.000 5.120 5.076 5.145 0.145 18 0 "[ . 1 . 2 . ]" 1
596 1 53 LYS H 1 54 ASP H 1.800 . 4.000 4.425 4.354 4.457 0.457 19 0 "[ . 1 . 2 . ]" 1
597 1 54 ASP H 1 54 ASP HA 1.800 . 2.500 2.806 2.777 2.866 0.366 13 0 "[ . 1 . 2 . ]" 1
598 1 54 ASP H 1 54 ASP QB 1.800 . 2.500 2.915 2.678 2.983 0.483 14 0 "[ . 1 . 2 . ]" 1
599 1 54 ASP HA 1 55 GLY H 1.800 . 2.500 2.586 2.543 2.636 0.136 4 0 "[ . 1 . 2 . ]" 1
600 1 54 ASP QB 1 55 GLY H 1.800 . 2.500 2.483 2.212 2.781 0.281 12 0 "[ . 1 . 2 . ]" 1
601 1 54 ASP H 1 55 GLY H 1.800 . 5.000 4.361 4.331 4.429 . 0 0 "[ . 1 . 2 . ]" 1
602 1 55 GLY QA 1 56 PHE H 1.800 . 2.500 2.287 2.248 2.322 . 0 0 "[ . 1 . 2 . ]" 1
603 1 55 GLY H 1 56 PHE H 1.800 . 5.000 4.431 4.317 4.497 . 0 0 "[ . 1 . 2 . ]" 1
604 1 56 PHE HA 1 56 PHE QD 1.800 . 4.000 2.448 1.893 3.016 . 0 0 "[ . 1 . 2 . ]" 1
605 1 56 PHE HB3 1 56 PHE QD 1.800 . 3.000 2.564 2.300 2.786 . 0 0 "[ . 1 . 2 . ]" 1
606 1 56 PHE H 1 56 PHE HB3 1.800 . 4.000 3.593 3.510 3.622 . 0 0 "[ . 1 . 2 . ]" 1
607 1 56 PHE H 1 56 PHE HB2 1.800 . 4.000 2.459 2.187 2.714 . 0 0 "[ . 1 . 2 . ]" 1
608 1 56 PHE H 1 56 PHE QD 1.800 . 4.000 2.632 1.986 3.164 . 0 0 "[ . 1 . 2 . ]" 1
609 1 56 PHE HA 1 57 ILE MG 1.800 . 5.000 3.789 3.535 4.312 . 0 0 "[ . 1 . 2 . ]" 1
610 1 56 PHE HA 1 57 ILE H 1.800 . 2.500 2.362 2.281 2.504 0.004 25 0 "[ . 1 . 2 . ]" 1
611 1 56 PHE HB3 1 57 ILE H 1.800 . 4.000 2.714 2.392 3.100 . 0 0 "[ . 1 . 2 . ]" 1
612 1 56 PHE H 1 57 ILE H 1.800 . 5.000 4.700 4.640 4.746 . 0 0 "[ . 1 . 2 . ]" 1
613 1 57 ILE HA 1 57 ILE HB 1.800 . 3.000 2.560 2.518 2.641 . 0 0 "[ . 1 . 2 . ]" 1
614 1 57 ILE HA 1 57 ILE QG 1.800 . 5.000 3.311 3.295 3.449 . 0 0 "[ . 1 . 2 . ]" 1
615 1 57 ILE HA 1 57 ILE MG 1.800 . 3.000 2.196 2.083 2.350 . 0 0 "[ . 1 . 2 . ]" 1
616 1 57 ILE HB 1 57 ILE MD 1.800 . 3.000 2.279 2.075 3.190 0.190 21 0 "[ . 1 . 2 . ]" 1
617 1 57 ILE HB 1 57 ILE MG 1.800 . 2.500 2.130 2.095 2.148 . 0 0 "[ . 1 . 2 . ]" 1
618 1 57 ILE MD 1 57 ILE QG 1.800 . 2.500 1.892 1.877 1.917 . 0 0 "[ . 1 . 2 . ]" 1
619 1 57 ILE MD 1 57 ILE MG 1.800 . 2.500 2.122 1.775 2.495 0.025 21 0 "[ . 1 . 2 . ]" 1
620 1 57 ILE QG 1 57 ILE MG 1.800 . 2.500 2.183 1.974 2.537 0.037 21 0 "[ . 1 . 2 . ]" 1
621 1 57 ILE H 1 57 ILE MD 1.800 . 5.000 3.922 2.456 4.104 . 0 0 "[ . 1 . 2 . ]" 1
622 1 57 ILE H 1 57 ILE QG 1.800 . 4.000 2.250 2.017 2.402 . 0 0 "[ . 1 . 2 . ]" 1
623 1 57 ILE H 1 57 ILE MG 1.800 . 4.000 3.266 2.940 3.543 . 0 0 "[ . 1 . 2 . ]" 1
624 1 57 ILE HA 1 58 PRO QD 1.800 . 3.000 1.990 1.929 2.018 . 0 0 "[ . 1 . 2 . ]" 1
625 1 57 ILE HB 1 58 PRO QD 1.800 . 4.000 2.875 2.554 3.378 . 0 0 "[ . 1 . 2 . ]" 1
626 1 57 ILE MG 1 58 PRO QD 1.800 . 4.000 3.202 2.919 3.401 . 0 0 "[ . 1 . 2 . ]" 1
627 1 57 ILE H 1 59 LYS H 1.800 . 5.000 5.162 5.048 5.255 0.255 12 0 "[ . 1 . 2 . ]" 1
628 1 58 PRO QD 1 58 PRO QG 1.800 . 4.000 1.987 1.982 1.998 . 0 0 "[ . 1 . 2 . ]" 1
629 1 58 PRO HA 1 59 LYS QB 1.800 . 5.000 3.964 3.904 4.008 . 0 0 "[ . 1 . 2 . ]" 1
630 1 58 PRO HA 1 59 LYS H 1.800 . 2.500 2.133 2.076 2.188 . 0 0 "[ . 1 . 2 . ]" 1
631 1 58 PRO QB 1 61 TYR H 1.800 . 4.000 3.260 2.881 3.592 . 0 0 "[ . 1 . 2 . ]" 1
632 1 58 PRO QD 1 61 TYR H 1.800 . 5.000 4.962 4.803 5.084 0.084 29 0 "[ . 1 . 2 . ]" 1
633 1 58 PRO QG 1 61 TYR HB3 1.800 . 5.000 4.448 3.941 5.077 0.077 7 0 "[ . 1 . 2 . ]" 1
634 1 58 PRO QG 1 61 TYR HB2 1.800 . 4.000 2.973 2.502 3.510 . 0 0 "[ . 1 . 2 . ]" 1
635 1 58 PRO QG 1 61 TYR H 1.800 . 4.000 3.684 3.517 3.773 . 0 0 "[ . 1 . 2 . ]" 1
636 1 59 LYS HA 1 59 LYS QG 1.800 . 4.000 2.417 2.099 2.594 . 0 0 "[ . 1 . 2 . ]" 1
637 1 59 LYS QB 1 59 LYS QG 1.800 . 4.000 2.081 2.051 2.098 . 0 0 "[ . 1 . 2 . ]" 1
638 1 59 LYS QD 1 59 LYS QE 1.800 . 2.500 2.079 2.034 2.117 . 0 0 "[ . 1 . 2 . ]" 1
639 1 59 LYS QD 1 59 LYS QG 1.800 . 4.000 2.090 2.058 2.106 . 0 0 "[ . 1 . 2 . ]" 1
640 1 59 LYS QE 1 59 LYS QG 1.800 . 4.000 2.087 1.961 2.222 . 0 0 "[ . 1 . 2 . ]" 1
641 1 59 LYS H 1 59 LYS HA 1.800 . 3.000 2.766 2.712 2.826 . 0 0 "[ . 1 . 2 . ]" 1
642 1 59 LYS H 1 59 LYS QD 1.800 . 4.000 4.152 4.033 4.228 0.228 22 0 "[ . 1 . 2 . ]" 1
643 1 59 LYS H 1 59 LYS QG 1.800 . 4.000 3.884 2.917 3.999 . 0 0 "[ . 1 . 2 . ]" 1
644 1 59 LYS HA 1 60 ASN H 1.800 . 4.000 3.525 3.486 3.629 . 0 0 "[ . 1 . 2 . ]" 1
645 1 59 LYS QB 1 60 ASN H 1.800 . 3.000 3.039 2.589 3.109 0.109 26 0 "[ . 1 . 2 . ]" 1
646 1 59 LYS H 1 60 ASN H 1.800 . 4.000 3.003 2.810 3.237 . 0 0 "[ . 1 . 2 . ]" 1
647 1 59 LYS HA 1 61 TYR H 1.800 . 5.000 3.942 3.827 4.201 . 0 0 "[ . 1 . 2 . ]" 1
648 1 59 LYS HA 1 62 ILE MD 1.800 . 3.000 2.270 1.912 3.447 0.447 3 0 "[ . 1 . 2 . ]" 1
649 1 59 LYS HA 1 62 ILE QG 1.800 . 4.000 2.231 1.756 2.788 0.044 18 0 "[ . 1 . 2 . ]" 1
650 1 59 LYS HA 1 62 ILE H 1.800 . 4.000 3.714 3.550 3.980 . 0 0 "[ . 1 . 2 . ]" 1
651 1 59 LYS QG 1 62 ILE HB 1.800 . 3.000 3.158 3.046 3.332 0.332 29 0 "[ . 1 . 2 . ]" 1
652 1 60 ASN HA 1 60 ASN HB2 1.800 . 2.500 2.886 2.880 2.929 0.429 29 0 "[ . 1 . 2 . ]" 1
653 1 60 ASN HA 1 60 ASN HB3 1.800 . 2.500 2.593 2.317 2.607 0.107 24 0 "[ . 1 . 2 . ]" 1
654 1 60 ASN H 1 60 ASN HA 1.800 . 2.500 2.763 2.734 2.785 0.285 28 0 "[ . 1 . 2 . ]" 1
655 1 60 ASN H 1 60 ASN HB2 1.800 . 3.000 2.099 2.065 2.603 . 0 0 "[ . 1 . 2 . ]" 1
656 1 60 ASN H 1 60 ASN HB3 1.800 . 4.000 3.403 3.388 3.494 . 0 0 "[ . 1 . 2 . ]" 1
657 1 60 ASN HA 1 61 TYR H 1.800 . 4.000 3.441 3.417 3.495 . 0 0 "[ . 1 . 2 . ]" 1
658 1 60 ASN HB2 1 61 TYR H 1.800 . 5.000 2.917 2.744 3.048 . 0 0 "[ . 1 . 2 . ]" 1
659 1 60 ASN HB3 1 61 TYR H 1.800 . 5.000 3.425 3.203 4.066 . 0 0 "[ . 1 . 2 . ]" 1
660 1 60 ASN H 1 61 TYR H 1.800 . 3.000 2.629 2.543 2.772 . 0 0 "[ . 1 . 2 . ]" 1
661 1 60 ASN HA 1 62 ILE H 1.800 . 4.000 3.575 3.379 3.733 . 0 0 "[ . 1 . 2 . ]" 1
662 1 60 ASN H 1 62 ILE H 1.800 . 5.000 4.206 4.060 4.344 . 0 0 "[ . 1 . 2 . ]" 1
663 1 61 TYR HA 1 61 TYR HB3 1.800 . 3.000 2.572 2.487 2.635 . 0 0 "[ . 1 . 2 . ]" 1
664 1 61 TYR HA 1 61 TYR QD 1.800 . 4.000 2.905 2.025 3.207 . 0 0 "[ . 1 . 2 . ]" 1
665 1 61 TYR H 1 61 TYR HB3 1.800 . 4.000 3.603 3.533 3.671 . 0 0 "[ . 1 . 2 . ]" 1
666 1 61 TYR H 1 61 TYR HB2 1.800 . 3.000 2.356 2.250 2.510 . 0 0 "[ . 1 . 2 . ]" 1
667 1 61 TYR HA 1 62 ILE HA 1.800 . 4.000 4.353 4.285 4.390 0.390 19 0 "[ . 1 . 2 . ]" 1
668 1 61 TYR HA 1 62 ILE H 1.800 . 4.000 2.931 2.788 3.064 . 0 0 "[ . 1 . 2 . ]" 1
669 1 61 TYR HB3 1 62 ILE MG 1.800 . 5.000 4.960 4.618 5.148 0.148 12 0 "[ . 1 . 2 . ]" 1
670 1 61 TYR HB2 1 62 ILE MG 1.800 . 5.000 4.954 4.769 5.124 0.124 13 0 "[ . 1 . 2 . ]" 1
671 1 61 TYR H 1 62 ILE MD 1.800 . 5.000 3.787 2.815 4.061 . 0 0 "[ . 1 . 2 . ]" 1
672 1 61 TYR H 1 62 ILE QG 1.800 . 5.000 2.596 2.486 2.682 . 0 0 "[ . 1 . 2 . ]" 1
673 1 61 TYR H 1 62 ILE MG 1.800 . 5.000 5.149 5.096 5.247 0.247 13 0 "[ . 1 . 2 . ]" 1
674 1 61 TYR H 1 62 ILE H 1.800 . 3.000 2.781 2.648 2.990 . 0 0 "[ . 1 . 2 . ]" 1
675 1 62 ILE HA 1 62 ILE HB 1.800 . 2.500 2.897 2.865 2.931 0.431 13 0 "[ . 1 . 2 . ]" 1
676 1 62 ILE HA 1 62 ILE MD 1.800 . 4.000 3.774 2.600 3.994 . 0 0 "[ . 1 . 2 . ]" 1
677 1 62 ILE HA 1 62 ILE QG 1.800 . 4.000 2.902 2.673 3.284 . 0 0 "[ . 1 . 2 . ]" 1
678 1 62 ILE HA 1 62 ILE MG 1.800 . 3.000 2.092 1.984 2.202 . 0 0 "[ . 1 . 2 . ]" 1
679 1 62 ILE HB 1 62 ILE MD 1.800 . 3.000 2.326 2.103 3.162 0.162 15 0 "[ . 1 . 2 . ]" 1
680 1 62 ILE HB 1 62 ILE MG 1.800 . 2.500 2.108 2.086 2.143 . 0 0 "[ . 1 . 2 . ]" 1
681 1 62 ILE MD 1 62 ILE QG 1.800 . 2.500 1.873 1.841 1.899 . 0 0 "[ . 1 . 2 . ]" 1
682 1 62 ILE QG 1 62 ILE MG 1.800 . 3.000 2.260 2.129 2.443 . 0 0 "[ . 1 . 2 . ]" 1
683 1 62 ILE H 1 62 ILE HB 1.800 . 4.000 3.303 2.999 3.456 . 0 0 "[ . 1 . 2 . ]" 1
684 1 62 ILE H 1 62 ILE MD 1.800 . 4.000 4.007 3.248 4.185 0.185 19 0 "[ . 1 . 2 . ]" 1
685 1 62 ILE H 1 62 ILE QG 1.800 . 3.000 2.535 2.367 2.631 . 0 0 "[ . 1 . 2 . ]" 1
686 1 62 ILE H 1 62 ILE MG 1.800 . 4.000 3.995 3.950 4.017 0.017 29 0 "[ . 1 . 2 . ]" 1
687 1 62 ILE HA 1 63 GLU H 1.800 . 2.500 2.436 2.287 2.540 0.040 19 0 "[ . 1 . 2 . ]" 1
688 1 62 ILE HB 1 63 GLU H 1.800 . 3.000 2.745 2.380 3.051 0.051 13 0 "[ . 1 . 2 . ]" 1
689 1 62 ILE MD 1 63 GLU H 1.800 . 4.000 4.232 4.091 4.346 0.346 7 0 "[ . 1 . 2 . ]" 1
690 1 62 ILE MG 1 63 GLU H 1.800 . 3.000 1.894 1.830 1.949 . 0 0 "[ . 1 . 2 . ]" 1
691 1 62 ILE H 1 63 GLU H 1.800 . 5.000 4.342 4.308 4.366 . 0 0 "[ . 1 . 2 . ]" 1
692 1 63 GLU HA 1 63 GLU QB 1.800 . 2.500 2.501 2.137 2.524 0.024 8 0 "[ . 1 . 2 . ]" 1
693 1 63 GLU QB 1 63 GLU QG 1.800 . 4.000 2.082 2.043 2.115 . 0 0 "[ . 1 . 2 . ]" 1
694 1 63 GLU H 1 63 GLU HA 1.800 . 2.500 2.847 2.821 2.874 0.374 15 0 "[ . 1 . 2 . ]" 1
695 1 63 GLU H 1 63 GLU QB 1.800 . 2.500 2.692 2.619 2.774 0.274 29 0 "[ . 1 . 2 . ]" 1
696 1 63 GLU QB 1 64 MET H 1.800 . 2.500 2.815 2.733 2.957 0.457 7 0 "[ . 1 . 2 . ]" 1
697 1 64 MET HA 1 64 MET QG 1.800 . 4.000 2.411 2.023 3.273 . 0 0 "[ . 1 . 2 . ]" 1
698 1 64 MET QB 1 64 MET QG 1.800 . 2.500 2.091 2.043 2.112 . 0 0 "[ . 1 . 2 . ]" 1
699 1 64 MET H 1 64 MET QG 1.800 . 4.000 3.575 1.920 4.054 0.054 12 0 "[ . 1 . 2 . ]" 1
700 1 64 MET HA 1 65 LYS H 1.800 . 5.000 2.188 2.117 2.237 . 0 0 "[ . 1 . 2 . ]" 1
701 1 64 MET QB 1 65 LYS H 1.800 . 4.000 3.793 3.390 3.976 . 0 0 "[ . 1 . 2 . ]" 1
702 1 64 MET QG 1 65 LYS HA 1.800 . 5.000 4.479 3.757 5.016 0.016 12 0 "[ . 1 . 2 . ]" 1
703 1 64 MET QG 1 65 LYS H 1.800 . 5.000 3.436 3.028 4.514 . 0 0 "[ . 1 . 2 . ]" 1
704 1 65 LYS HA 1 65 LYS HB3 1.800 . 2.500 2.613 2.600 2.619 0.119 21 0 "[ . 1 . 2 . ]" 1
705 1 65 LYS HA 1 65 LYS HB2 1.800 . 3.000 2.952 2.939 2.964 . 0 0 "[ . 1 . 2 . ]" 1
706 1 65 LYS HA 1 65 LYS QG 1.800 . 3.000 2.116 1.982 2.207 . 0 0 "[ . 1 . 2 . ]" 1
707 1 65 LYS HB3 1 65 LYS QG 1.800 . 2.500 2.341 2.260 2.455 . 0 0 "[ . 1 . 2 . ]" 1
708 1 65 LYS HB2 1 65 LYS QE 1.800 . 2.500 2.469 2.012 2.661 0.161 18 0 "[ . 1 . 2 . ]" 1
709 1 65 LYS HB2 1 65 LYS QG 1.800 . 2.500 2.353 2.233 2.449 . 0 0 "[ . 1 . 2 . ]" 1
710 1 65 LYS H 1 65 LYS HB3 1.800 . 3.000 3.430 3.398 3.459 0.459 13 0 "[ . 1 . 2 . ]" 1
711 1 65 LYS H 1 65 LYS HB2 1.800 . 3.000 2.229 2.150 2.318 . 0 0 "[ . 1 . 2 . ]" 1
712 1 65 LYS H 1 65 LYS QG 1.800 . 3.000 3.165 3.079 3.251 0.251 2 0 "[ . 1 . 2 . ]" 1
713 1 65 LYS HA 1 66 PRO HA 1.800 . 4.000 4.286 4.249 4.326 0.326 28 0 "[ . 1 . 2 . ]" 1
714 1 65 LYS HA 1 66 PRO QD 1.800 . 2.500 1.923 1.836 2.005 . 0 0 "[ . 1 . 2 . ]" 1
715 1 65 LYS HA 1 66 PRO QG 1.800 . 4.000 3.876 3.717 3.964 . 0 0 "[ . 1 . 2 . ]" 1
716 1 65 LYS HB2 1 66 PRO QD 1.800 . 5.000 3.721 3.519 3.967 . 0 0 "[ . 1 . 2 . ]" 1
717 1 65 LYS QG 1 66 PRO QG 1.800 . 4.000 4.220 4.120 4.316 0.316 12 0 "[ . 1 . 2 . ]" 1
718 1 66 PRO HA 1 66 PRO QD 1.800 . 4.000 3.423 3.376 3.482 . 0 0 "[ . 1 . 2 . ]" 1
719 1 66 PRO HA 1 66 PRO QG 1.800 . 3.000 3.486 3.478 3.495 0.495 2 0 "[ . 1 . 2 . ]" 1
720 1 66 PRO QD 1 66 PRO QG 1.800 . 2.500 1.945 1.931 1.959 . 0 0 "[ . 1 . 2 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 48
_Distance_constraint_stats_list.Viol_count 480
_Distance_constraint_stats_list.Viol_total 744.708
_Distance_constraint_stats_list.Viol_max 0.333
_Distance_constraint_stats_list.Viol_rms 0.0456
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0184
_Distance_constraint_stats_list.Viol_average_violations_only 0.0535
_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 10 MET 1.120 0.115 29 0 "[ . 1 . 2 . ]"
1 11 GLU 6.050 0.200 16 0 "[ . 1 . 2 . ]"
1 12 ALA 2.890 0.148 8 0 "[ . 1 . 2 . ]"
1 13 ILE 8.448 0.333 7 0 "[ . 1 . 2 . ]"
1 14 ALA 0.554 0.034 21 0 "[ . 1 . 2 . ]"
1 15 LYS 0.528 0.043 7 0 "[ . 1 . 2 . ]"
1 18 PHE 1.109 0.065 29 0 "[ . 1 . 2 . ]"
1 24 ASP 1.016 0.101 19 0 "[ . 1 . 2 . ]"
1 26 LEU 0.249 0.040 18 0 "[ . 1 . 2 . ]"
1 28 PHE 1.109 0.065 29 0 "[ . 1 . 2 . ]"
1 31 GLY 0.554 0.034 21 0 "[ . 1 . 2 . ]"
1 34 LEU 2.890 0.148 8 0 "[ . 1 . 2 . ]"
1 35 LYS 0.100 0.035 8 0 "[ . 1 . 2 . ]"
1 36 VAL 1.120 0.115 29 0 "[ . 1 . 2 . ]"
1 37 LEU 0.334 0.040 14 0 "[ . 1 . 2 . ]"
1 38 ASN 2.168 0.209 26 0 "[ . 1 . 2 . ]"
1 44 ASN 0.199 0.060 13 0 "[ . 1 . 2 . ]"
1 46 TYR 0.338 0.079 17 0 "[ . 1 . 2 . ]"
1 47 LYS 2.502 0.209 26 0 "[ . 1 . 2 . ]"
1 48 ALA 0.148 0.030 12 0 "[ . 1 . 2 . ]"
1 49 GLU 0.100 0.035 8 0 "[ . 1 . 2 . ]"
1 50 LEU 0.322 0.032 29 0 "[ . 1 . 2 . ]"
1 53 LYS 0.322 0.032 29 0 "[ . 1 . 2 . ]"
1 55 GLY 0.148 0.030 12 0 "[ . 1 . 2 . ]"
1 56 PHE 1.265 0.101 19 0 "[ . 1 . 2 . ]"
1 57 ILE 0.338 0.079 17 0 "[ . 1 . 2 . ]"
1 58 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 59 LYS 0.306 0.060 13 0 "[ . 1 . 2 . ]"
1 61 TYR 0.528 0.043 7 0 "[ . 1 . 2 . ]"
1 62 ILE 0.107 0.039 29 0 "[ . 1 . 2 . ]"
1 63 GLU 8.448 0.333 7 0 "[ . 1 . 2 . ]"
1 65 LYS 6.050 0.200 16 0 "[ . 1 . 2 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 GLU N 1 65 LYS O 3.000 2.800 3.200 3.253 3.211 3.308 0.108 16 0 "[ . 1 . 2 . ]" 2
2 1 11 GLU H 1 65 LYS O 2.000 . 2.200 2.356 2.321 2.400 0.200 16 0 "[ . 1 . 2 . ]" 2
3 1 12 ALA N 1 34 LEU O 3.000 2.800 3.200 3.080 3.017 3.143 . 0 0 "[ . 1 . 2 . ]" 2
4 1 12 ALA H 1 34 LEU O 2.000 . 2.200 2.300 2.237 2.348 0.148 8 0 "[ . 1 . 2 . ]" 2
5 1 13 ILE N 1 63 GLU O 3.000 2.800 3.200 2.828 2.725 2.980 0.075 17 0 "[ . 1 . 2 . ]" 2
6 1 13 ILE H 1 63 GLU O 2.000 . 2.200 2.443 2.380 2.533 0.333 7 0 "[ . 1 . 2 . ]" 2
7 1 15 LYS N 1 61 TYR O 3.000 2.800 3.200 2.846 2.757 3.000 0.043 7 0 "[ . 1 . 2 . ]" 2
8 1 15 LYS H 1 61 TYR O 2.000 . 2.200 2.205 2.127 2.235 0.035 29 0 "[ . 1 . 2 . ]" 2
9 1 18 PHE N 1 28 PHE O 3.000 2.800 3.200 2.970 2.842 3.112 . 0 0 "[ . 1 . 2 . ]" 2
10 1 18 PHE H 1 28 PHE O 2.000 . 2.200 2.190 2.149 2.265 0.065 29 0 "[ . 1 . 2 . ]" 2
11 1 26 LEU N 1 56 PHE O 3.000 2.800 3.200 2.971 2.870 3.109 . 0 0 "[ . 1 . 2 . ]" 2
12 1 26 LEU H 1 56 PHE O 2.000 . 2.200 2.203 2.156 2.240 0.040 18 0 "[ . 1 . 2 . ]" 2
13 1 18 PHE O 1 28 PHE N 3.000 2.800 3.200 3.166 3.010 3.218 0.018 21 0 "[ . 1 . 2 . ]" 2
14 1 18 PHE O 1 28 PHE H 2.000 . 2.200 2.227 2.193 2.244 0.044 22 0 "[ . 1 . 2 . ]" 2
15 1 14 ALA O 1 31 GLY N 3.000 2.800 3.200 3.067 2.958 3.159 . 0 0 "[ . 1 . 2 . ]" 2
16 1 14 ALA O 1 31 GLY H 2.000 . 2.200 2.218 2.181 2.234 0.034 21 0 "[ . 1 . 2 . ]" 2
17 1 35 LYS N 1 49 GLU O 3.000 2.800 3.200 2.950 2.853 3.079 . 0 0 "[ . 1 . 2 . ]" 2
18 1 35 LYS H 1 49 GLU O 2.000 . 2.200 2.145 2.074 2.208 0.008 8 0 "[ . 1 . 2 . ]" 2
19 1 10 MET O 1 36 VAL N 3.000 2.800 3.200 2.870 2.756 3.091 0.044 21 0 "[ . 1 . 2 . ]" 2
20 1 10 MET O 1 36 VAL H 2.000 . 2.200 2.235 2.209 2.315 0.115 29 0 "[ . 1 . 2 . ]" 2
21 1 37 LEU N 1 47 LYS O 3.000 2.800 3.200 2.953 2.846 3.106 . 0 0 "[ . 1 . 2 . ]" 2
22 1 37 LEU H 1 47 LYS O 2.000 . 2.200 2.196 2.091 2.240 0.040 14 0 "[ . 1 . 2 . ]" 2
23 1 46 TYR N 1 57 ILE O 3.000 2.800 3.200 2.934 2.813 3.109 . 0 0 "[ . 1 . 2 . ]" 2
24 1 46 TYR H 1 57 ILE O 2.000 . 2.200 2.141 2.086 2.239 0.039 29 0 "[ . 1 . 2 . ]" 2
25 1 38 ASN O 1 47 LYS N 3.000 2.800 3.200 3.088 2.870 3.299 0.099 26 0 "[ . 1 . 2 . ]" 2
26 1 38 ASN O 1 47 LYS H 2.000 . 2.200 2.268 2.213 2.409 0.209 26 0 "[ . 1 . 2 . ]" 2
27 1 48 ALA N 1 55 GLY O 3.000 2.800 3.200 3.056 2.828 3.162 . 0 0 "[ . 1 . 2 . ]" 2
28 1 48 ALA H 1 55 GLY O 2.000 . 2.200 2.189 2.148 2.227 0.027 25 0 "[ . 1 . 2 . ]" 2
29 1 35 LYS O 1 49 GLU N 3.000 2.800 3.200 2.854 2.771 2.920 0.029 8 0 "[ . 1 . 2 . ]" 2
30 1 35 LYS O 1 49 GLU H 2.000 . 2.200 2.152 2.094 2.235 0.035 8 0 "[ . 1 . 2 . ]" 2
31 1 50 LEU N 1 53 LYS O 3.000 2.800 3.200 2.889 2.811 3.086 . 0 0 "[ . 1 . 2 . ]" 2
32 1 50 LEU H 1 53 LYS O 2.000 . 2.200 2.202 2.169 2.232 0.032 29 0 "[ . 1 . 2 . ]" 2
33 1 50 LEU O 1 53 LYS N 3.000 2.800 3.200 3.115 3.062 3.145 . 0 0 "[ . 1 . 2 . ]" 2
34 1 50 LEU O 1 53 LYS H 2.000 . 2.200 2.201 2.160 2.214 0.014 10 0 "[ . 1 . 2 . ]" 2
35 1 48 ALA O 1 55 GLY N 3.000 2.800 3.200 2.934 2.820 2.990 . 0 0 "[ . 1 . 2 . ]" 2
36 1 48 ALA O 1 55 GLY H 2.000 . 2.200 2.173 2.117 2.230 0.030 12 0 "[ . 1 . 2 . ]" 2
37 1 24 ASP O 1 56 PHE N 3.000 2.800 3.200 3.155 3.080 3.214 0.014 19 0 "[ . 1 . 2 . ]" 2
38 1 24 ASP O 1 56 PHE H 2.000 . 2.200 2.234 2.207 2.301 0.101 19 0 "[ . 1 . 2 . ]" 2
39 1 46 TYR O 1 57 ILE N 3.000 2.800 3.200 2.885 2.721 3.038 0.079 17 0 "[ . 1 . 2 . ]" 2
40 1 46 TYR O 1 57 ILE H 2.000 . 2.200 2.164 2.107 2.227 0.027 12 0 "[ . 1 . 2 . ]" 2
41 1 44 ASN O 1 59 LYS N 3.000 2.800 3.200 2.905 2.740 3.061 0.060 13 0 "[ . 1 . 2 . ]" 2
42 1 44 ASN O 1 59 LYS H 2.000 . 2.200 2.119 2.029 2.223 0.023 6 0 "[ . 1 . 2 . ]" 2
43 1 58 PRO O 1 61 TYR N 3.000 2.800 3.200 2.989 2.916 3.035 . 0 0 "[ . 1 . 2 . ]" 2
44 1 58 PRO O 1 61 TYR H 2.000 . 2.200 2.080 2.021 2.135 . 0 0 "[ . 1 . 2 . ]" 2
45 1 59 LYS O 1 62 ILE N 3.000 2.800 3.200 2.861 2.761 2.989 0.039 29 0 "[ . 1 . 2 . ]" 2
46 1 59 LYS O 1 62 ILE H 2.000 . 2.200 2.097 2.061 2.146 . 0 0 "[ . 1 . 2 . ]" 2
47 1 13 ILE O 1 63 GLU N 3.000 2.800 3.200 2.849 2.769 2.934 0.031 12 0 "[ . 1 . 2 . ]" 2
48 1 13 ILE O 1 63 GLU H 2.000 . 2.200 2.237 2.197 2.286 0.086 14 0 "[ . 1 . 2 . ]" 2
stop_
save_
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