NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
373756 |
1dx8   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dx8
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 494
_Distance_constraint_stats_list.Viol_count 1207
_Distance_constraint_stats_list.Viol_total 1468.670
_Distance_constraint_stats_list.Viol_max 0.938
_Distance_constraint_stats_list.Viol_rms 0.0345
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0579
_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 2 GLU 0.021 0.016 1 0 "[ . 1 . 2 ]"
1 3 ILE 0.912 0.217 21 0 "[ . 1 . 2 ]"
1 4 ASP 10.048 0.938 20 8 "[ **-* 1* * . *+ ]"
1 5 GLU 10.690 0.938 20 8 "[ **-* 1* * . *+ ]"
1 6 GLY 1.497 0.084 12 0 "[ . 1 . 2 ]"
1 7 LYS 1.103 0.144 10 0 "[ . 1 . 2 ]"
1 8 TYR 4.529 0.182 17 0 "[ . 1 . 2 ]"
1 9 GLU 0.360 0.043 6 0 "[ . 1 . 2 ]"
1 10 CYS 3.528 0.103 11 0 "[ . 1 . 2 ]"
1 11 GLU 1.445 0.076 15 0 "[ . 1 . 2 ]"
1 12 ALA 2.174 0.076 15 0 "[ . 1 . 2 ]"
1 13 CYS 2.866 0.078 21 0 "[ . 1 . 2 ]"
1 14 GLY 2.790 0.103 11 0 "[ . 1 . 2 ]"
1 15 TYR 1.699 0.078 21 0 "[ . 1 . 2 ]"
1 16 ILE 0.355 0.073 11 0 "[ . 1 . 2 ]"
1 17 TYR 2.821 0.098 2 0 "[ . 1 . 2 ]"
1 18 GLU 0.032 0.015 21 0 "[ . 1 . 2 ]"
1 19 PRO 4.648 0.193 20 0 "[ . 1 . 2 ]"
1 20 GLU 4.466 0.193 20 0 "[ . 1 . 2 ]"
1 21 LYS 3.382 0.228 15 0 "[ . 1 . 2 ]"
1 22 GLY 4.065 0.308 15 0 "[ . 1 . 2 ]"
1 23 ASP 2.723 0.114 19 0 "[ . 1 . 2 ]"
1 24 LYS 2.276 0.114 19 0 "[ . 1 . 2 ]"
1 25 PHE 0.441 0.040 8 0 "[ . 1 . 2 ]"
1 26 ALA 0.688 0.045 1 0 "[ . 1 . 2 ]"
1 27 GLY 0.678 0.055 14 0 "[ . 1 . 2 ]"
1 28 ILE 1.466 0.066 15 0 "[ . 1 . 2 ]"
1 29 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 PRO 7.927 0.308 15 0 "[ . 1 . 2 ]"
1 31 GLY 3.049 0.101 2 0 "[ . 1 . 2 ]"
1 32 THR 0.021 0.007 10 0 "[ . 1 . 2 ]"
1 33 PRO 0.523 0.049 15 0 "[ . 1 . 2 ]"
1 34 PHE 2.329 0.098 2 0 "[ . 1 . 2 ]"
1 35 VAL 0.886 0.044 13 0 "[ . 1 . 2 ]"
1 36 ASP 0.007 0.007 10 0 "[ . 1 . 2 ]"
1 37 LEU 0.879 0.101 7 0 "[ . 1 . 2 ]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 ASP 1.737 0.477 17 0 "[ . 1 . 2 ]"
1 40 SER 1.767 0.477 17 0 "[ . 1 . 2 ]"
1 41 PHE 3.646 0.117 10 0 "[ . 1 . 2 ]"
1 42 MET 5.069 0.261 13 0 "[ . 1 . 2 ]"
1 43 CYS 0.000 0.000 6 0 "[ . 1 . 2 ]"
1 44 PRO 0.349 0.033 6 0 "[ . 1 . 2 ]"
1 45 ALA 1.336 0.088 7 0 "[ . 1 . 2 ]"
1 46 CYS 1.336 0.088 7 0 "[ . 1 . 2 ]"
1 47 ARG 0.786 0.057 8 0 "[ . 1 . 2 ]"
1 48 SER 0.094 0.053 5 0 "[ . 1 . 2 ]"
1 49 PRO 3.225 0.684 2 1 "[ + . 1 . 2 ]"
1 50 LYS 5.660 0.129 11 0 "[ . 1 . 2 ]"
1 51 ASN 1.771 0.112 4 0 "[ . 1 . 2 ]"
1 52 GLN 4.477 0.684 2 1 "[ + . 1 . 2 ]"
1 53 PHE 5.032 0.129 11 0 "[ . 1 . 2 ]"
1 54 LYS 0.504 0.060 2 0 "[ . 1 . 2 ]"
1 55 SER 4.010 0.182 17 0 "[ . 1 . 2 ]"
1 56 ILE 3.649 0.177 5 0 "[ . 1 . 2 ]"
1 57 LYS 1.576 0.134 12 0 "[ . 1 . 2 ]"
1 58 LYS 1.383 0.119 3 0 "[ . 1 . 2 ]"
1 59 VAL 0.031 0.011 14 0 "[ . 1 . 2 ]"
1 60 ILE 0.021 0.016 1 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 2 GLU HA 1 3 ILE H 0.000 . 2.700 2.429 2.214 2.671 . 0 0 "[ . 1 . 2 ]" 1
2 1 3 ILE HA 1 4 ASP H 0.000 . 2.700 2.375 2.182 2.526 . 0 0 "[ . 1 . 2 ]" 1
3 1 3 ILE HB 1 4 ASP H 0.000 . 3.500 3.413 2.808 3.717 0.217 21 0 "[ . 1 . 2 ]" 1
4 1 4 ASP HA 1 5 GLU H 0.000 . 3.500 3.001 2.153 3.540 0.040 6 0 "[ . 1 . 2 ]" 1
5 1 4 ASP HB2 1 5 GLU H 0.000 . 3.500 3.869 3.399 4.438 0.938 20 8 "[ **-* 1* * . *+ ]" 1
6 1 4 ASP H 1 5 GLU H 0.000 . 3.500 2.463 1.795 3.679 0.179 7 0 "[ . 1 . 2 ]" 1
7 1 5 GLU H 1 7 LYS H 0.000 . 3.500 3.282 2.368 3.644 0.144 10 0 "[ . 1 . 2 ]" 1
8 1 5 GLU HA 1 6 GLY H 0.000 . 3.500 2.788 2.443 3.080 . 0 0 "[ . 1 . 2 ]" 1
9 1 6 GLY HA3 1 8 TYR QE 0.000 . 3.500 2.527 2.122 2.898 . 0 0 "[ . 1 . 2 ]" 1
10 1 6 GLY HA2 1 8 TYR QE 0.000 . 3.500 3.547 3.518 3.584 0.084 12 0 "[ . 1 . 2 ]" 1
11 1 6 GLY HA3 1 19 PRO QG 0.000 . 3.500 3.495 3.358 3.557 0.057 8 0 "[ . 1 . 2 ]" 1
12 1 6 GLY HA2 1 19 PRO HB2 0.000 . 5.000 4.108 3.898 4.341 . 0 0 "[ . 1 . 2 ]" 1
13 1 6 GLY HA2 1 19 PRO QG 0.000 . 3.500 2.095 1.934 2.201 . 0 0 "[ . 1 . 2 ]" 1
14 1 6 GLY HA3 1 7 LYS H 0.000 . 3.500 3.047 2.930 3.140 . 0 0 "[ . 1 . 2 ]" 1
15 1 6 GLY HA2 1 7 LYS H 0.000 . 3.500 3.491 3.439 3.545 0.045 18 0 "[ . 1 . 2 ]" 1
16 1 6 GLY H 1 7 LYS H 0.000 . 3.500 2.757 2.186 3.018 . 0 0 "[ . 1 . 2 ]" 1
17 1 7 LYS HA 1 8 TYR QD 0.000 . 5.000 3.218 2.929 3.428 . 0 0 "[ . 1 . 2 ]" 1
18 1 7 LYS HA 1 17 TYR QB 0.000 . 5.000 4.237 3.865 4.546 . 0 0 "[ . 1 . 2 ]" 1
19 1 7 LYS HA 1 17 TYR QD 0.000 . 5.000 3.805 3.352 4.222 . 0 0 "[ . 1 . 2 ]" 1
20 1 7 LYS HA 1 17 TYR H 0.000 . 5.000 4.763 4.493 4.973 . 0 0 "[ . 1 . 2 ]" 1
21 1 7 LYS HA 1 18 GLU HA 0.000 . 3.500 3.207 2.927 3.373 . 0 0 "[ . 1 . 2 ]" 1
22 1 7 LYS HA 1 8 TYR H 0.000 . 2.700 2.236 2.219 2.293 . 0 0 "[ . 1 . 2 ]" 1
23 1 8 TYR QB 1 17 TYR QB 0.000 . 3.500 1.944 1.884 2.039 . 0 0 "[ . 1 . 2 ]" 1
24 1 8 TYR QB 1 17 TYR QD 0.000 . 5.000 2.624 2.385 2.803 . 0 0 "[ . 1 . 2 ]" 1
25 1 8 TYR H 1 17 TYR QB 0.000 . 3.500 2.538 2.165 2.805 . 0 0 "[ . 1 . 2 ]" 1
26 1 8 TYR H 1 17 TYR QD 0.000 . 5.000 3.008 2.761 3.249 . 0 0 "[ . 1 . 2 ]" 1
27 1 8 TYR H 1 17 TYR H 0.000 . 3.500 3.015 2.761 3.321 . 0 0 "[ . 1 . 2 ]" 1
28 1 8 TYR H 1 18 GLU HA 0.000 . 5.000 4.353 4.239 4.495 . 0 0 "[ . 1 . 2 ]" 1
29 1 8 TYR H 1 19 PRO HD3 0.000 . 5.000 3.646 3.316 3.875 . 0 0 "[ . 1 . 2 ]" 1
30 1 8 TYR H 1 19 PRO HD2 0.000 . 5.000 4.898 4.583 5.014 0.014 11 0 "[ . 1 . 2 ]" 1
31 1 8 TYR QB 1 34 PHE QD 0.000 . 5.000 2.847 2.576 3.137 . 0 0 "[ . 1 . 2 ]" 1
32 1 8 TYR QB 1 34 PHE QE 0.000 . 5.000 3.465 3.130 3.669 . 0 0 "[ . 1 . 2 ]" 1
33 1 8 TYR QD 1 34 PHE HB3 0.000 . 3.500 3.220 2.809 3.538 0.038 5 0 "[ . 1 . 2 ]" 1
34 1 8 TYR QD 1 34 PHE HB2 0.000 . 3.500 3.045 2.460 3.505 0.005 8 0 "[ . 1 . 2 ]" 1
35 1 8 TYR QE 1 34 PHE QD 0.000 . 3.500 3.017 2.682 3.324 . 0 0 "[ . 1 . 2 ]" 1
36 1 8 TYR QB 1 53 PHE HB3 0.000 . 3.500 2.268 1.977 2.483 . 0 0 "[ . 1 . 2 ]" 1
37 1 8 TYR QB 1 53 PHE QD 0.000 . 3.500 2.627 2.298 2.960 . 0 0 "[ . 1 . 2 ]" 1
38 1 8 TYR QD 1 53 PHE QD 0.000 . 5.000 4.244 3.741 4.700 . 0 0 "[ . 1 . 2 ]" 1
39 1 8 TYR HA 1 56 ILE MG 0.000 . 3.500 3.016 2.585 3.520 0.020 6 0 "[ . 1 . 2 ]" 1
40 1 8 TYR HA 1 9 GLU H 0.000 . 2.700 2.282 2.216 2.448 . 0 0 "[ . 1 . 2 ]" 1
41 1 8 TYR QD 1 9 GLU H 0.000 . 5.000 4.096 3.708 4.502 . 0 0 "[ . 1 . 2 ]" 1
42 1 9 GLU HA 1 16 ILE HA 0.000 . 2.700 2.229 2.040 2.341 . 0 0 "[ . 1 . 2 ]" 1
43 1 9 GLU HA 1 16 ILE MD 0.000 . 3.500 2.588 1.900 3.518 0.018 10 0 "[ . 1 . 2 ]" 1
44 1 9 GLU HA 1 16 ILE QG 0.000 . 5.000 3.341 2.427 3.869 . 0 0 "[ . 1 . 2 ]" 1
45 1 9 GLU H 1 54 LYS H 0.000 . 3.500 3.119 2.722 3.441 . 0 0 "[ . 1 . 2 ]" 1
46 1 9 GLU H 1 55 SER HA 0.000 . 3.500 3.418 3.155 3.543 0.043 17 0 "[ . 1 . 2 ]" 1
47 1 9 GLU H 1 56 ILE MG 0.000 . 3.500 3.122 2.634 3.513 0.013 21 0 "[ . 1 . 2 ]" 1
48 1 9 GLU HA 1 10 CYS H 0.000 . 2.700 2.235 2.215 2.272 . 0 0 "[ . 1 . 2 ]" 1
49 1 10 CYS H 1 13 CYS H 0.000 . 5.000 5.030 5.002 5.051 0.051 15 0 "[ . 1 . 2 ]" 1
50 1 10 CYS H 1 14 GLY HA3 0.000 . 5.000 4.008 3.937 4.147 . 0 0 "[ . 1 . 2 ]" 1
51 1 10 CYS H 1 14 GLY H 0.000 . 5.000 3.868 3.806 3.933 . 0 0 "[ . 1 . 2 ]" 1
52 1 10 CYS H 1 15 TYR H 0.000 . 3.500 3.015 2.979 3.117 . 0 0 "[ . 1 . 2 ]" 1
53 1 10 CYS H 1 16 ILE HA 0.000 . 3.500 3.492 3.403 3.573 0.073 11 0 "[ . 1 . 2 ]" 1
54 1 10 CYS H 1 16 ILE QG 0.000 . 5.000 4.339 3.880 4.581 . 0 0 "[ . 1 . 2 ]" 1
55 1 10 CYS HA 1 52 GLN HE21 0.000 . 5.000 3.866 3.479 4.303 . 0 0 "[ . 1 . 2 ]" 1
56 1 10 CYS HA 1 53 PHE QD 0.000 . 5.000 3.654 3.356 3.862 . 0 0 "[ . 1 . 2 ]" 1
57 1 10 CYS HA 1 11 GLU HA 0.000 . 5.000 4.531 4.509 4.542 . 0 0 "[ . 1 . 2 ]" 1
58 1 10 CYS HA 1 11 GLU H 0.000 . 2.700 2.235 2.224 2.243 . 0 0 "[ . 1 . 2 ]" 1
59 1 10 CYS HB2 1 11 GLU H 0.000 . 5.000 4.587 4.544 4.606 . 0 0 "[ . 1 . 2 ]" 1
60 1 11 GLU HB3 1 12 ALA H 0.000 . 3.500 3.538 3.505 3.576 0.076 15 0 "[ . 1 . 2 ]" 1
61 1 11 GLU HB2 1 12 ALA H 0.000 . 3.500 3.527 3.481 3.564 0.064 13 0 "[ . 1 . 2 ]" 1
62 1 11 GLU H 1 12 ALA H 0.000 . 3.500 2.571 2.515 2.621 . 0 0 "[ . 1 . 2 ]" 1
63 1 11 GLU H 1 52 GLN HE21 0.000 . 5.000 2.987 2.784 3.224 . 0 0 "[ . 1 . 2 ]" 1
64 1 11 GLU H 1 53 PHE HA 0.000 . 3.500 2.998 2.765 3.199 . 0 0 "[ . 1 . 2 ]" 1
65 1 11 GLU H 1 54 LYS H 0.000 . 5.000 3.392 3.043 3.960 . 0 0 "[ . 1 . 2 ]" 1
66 1 10 CYS HA 1 12 ALA H 0.000 . 5.000 3.352 3.321 3.427 . 0 0 "[ . 1 . 2 ]" 1
67 1 10 CYS HB3 1 12 ALA H 0.000 . 3.500 3.535 3.514 3.556 0.056 15 0 "[ . 1 . 2 ]" 1
68 1 10 CYS HB2 1 12 ALA H 0.000 . 5.000 4.530 4.501 4.550 . 0 0 "[ . 1 . 2 ]" 1
69 1 11 GLU HA 1 12 ALA H 0.000 . 3.500 3.423 3.410 3.431 . 0 0 "[ . 1 . 2 ]" 1
70 1 12 ALA H 1 13 CYS H 0.000 . 3.500 2.536 2.512 2.550 . 0 0 "[ . 1 . 2 ]" 1
71 1 12 ALA MB 1 52 GLN HE22 0.000 . 3.500 2.862 2.652 3.284 . 0 0 "[ . 1 . 2 ]" 1
72 1 12 ALA H 1 52 GLN HE21 0.000 . 5.000 2.146 1.964 3.304 . 0 0 "[ . 1 . 2 ]" 1
73 1 10 CYS HA 1 13 CYS H 0.000 . 5.000 4.430 4.378 4.480 . 0 0 "[ . 1 . 2 ]" 1
74 1 10 CYS HB3 1 13 CYS H 0.000 . 3.500 2.512 2.459 2.550 . 0 0 "[ . 1 . 2 ]" 1
75 1 10 CYS HB2 1 13 CYS H 0.000 . 5.000 4.055 4.009 4.088 . 0 0 "[ . 1 . 2 ]" 1
76 1 12 ALA MB 1 13 CYS HA 0.000 . 5.000 4.061 4.019 4.113 . 0 0 "[ . 1 . 2 ]" 1
77 1 12 ALA HA 1 13 CYS H 0.000 . 5.000 3.611 3.602 3.617 . 0 0 "[ . 1 . 2 ]" 1
78 1 13 CYS H 1 13 CYS HB3 0.000 . 3.500 2.830 2.797 2.857 . 0 0 "[ . 1 . 2 ]" 1
79 1 13 CYS H 1 14 GLY H 0.000 . 2.700 2.008 1.970 2.034 . 0 0 "[ . 1 . 2 ]" 1
80 1 13 CYS HB2 1 15 TYR H 0.000 . 5.000 4.535 4.499 4.560 . 0 0 "[ . 1 . 2 ]" 1
81 1 13 CYS H 1 15 TYR H 0.000 . 3.500 3.556 3.543 3.578 0.078 21 0 "[ . 1 . 2 ]" 1
82 1 13 CYS HB3 1 46 CYS HA 0.000 . 5.000 4.381 4.336 4.492 . 0 0 "[ . 1 . 2 ]" 1
83 1 13 CYS HB2 1 46 CYS HA 0.000 . 5.000 4.766 4.660 4.915 . 0 0 "[ . 1 . 2 ]" 1
84 1 10 CYS HA 1 14 GLY H 0.000 . 5.000 4.486 4.415 4.542 . 0 0 "[ . 1 . 2 ]" 1
85 1 10 CYS HB3 1 14 GLY H 0.000 . 3.500 1.882 1.875 1.892 . 0 0 "[ . 1 . 2 ]" 1
86 1 10 CYS HB2 1 14 GLY H 0.000 . 3.500 3.592 3.583 3.603 0.103 11 0 "[ . 1 . 2 ]" 1
87 1 12 ALA MB 1 14 GLY H 0.000 . 5.000 4.249 4.177 4.301 . 0 0 "[ . 1 . 2 ]" 1
88 1 13 CYS HA 1 14 GLY H 0.000 . 3.500 3.541 3.520 3.550 0.050 5 0 "[ . 1 . 2 ]" 1
89 1 14 GLY H 1 15 TYR H 0.000 . 3.500 1.991 1.922 2.105 . 0 0 "[ . 1 . 2 ]" 1
90 1 10 CYS HB3 1 15 TYR QB 0.000 . 3.500 2.750 2.668 2.808 . 0 0 "[ . 1 . 2 ]" 1
91 1 10 CYS H 1 15 TYR QB 0.000 . 5.000 3.304 3.111 3.381 . 0 0 "[ . 1 . 2 ]" 1
92 1 10 CYS HB3 1 15 TYR H 0.000 . 3.500 1.862 1.846 1.884 . 0 0 "[ . 1 . 2 ]" 1
93 1 13 CYS HA 1 15 TYR H 0.000 . 5.000 4.999 4.937 5.037 0.037 6 0 "[ . 1 . 2 ]" 1
94 1 14 GLY HA3 1 15 TYR H 0.000 . 3.500 3.069 3.028 3.104 . 0 0 "[ . 1 . 2 ]" 1
95 1 14 GLY HA2 1 15 TYR H 0.000 . 3.500 3.457 3.446 3.466 . 0 0 "[ . 1 . 2 ]" 1
96 1 15 TYR H 1 45 ALA MB 0.000 . 5.000 4.503 4.260 4.969 . 0 0 "[ . 1 . 2 ]" 1
97 1 15 TYR QD 1 53 PHE QE 0.000 . 3.500 2.180 1.937 2.430 . 0 0 "[ . 1 . 2 ]" 1
98 1 15 TYR QE 1 53 PHE QD 0.000 . 5.000 4.752 4.482 4.983 . 0 0 "[ . 1 . 2 ]" 1
99 1 15 TYR QE 1 53 PHE QE 0.000 . 5.000 3.163 2.768 3.756 . 0 0 "[ . 1 . 2 ]" 1
100 1 9 GLU HA 1 16 ILE MG 0.000 . 5.000 3.768 3.582 4.005 . 0 0 "[ . 1 . 2 ]" 1
101 1 9 GLU HA 1 16 ILE H 0.000 . 5.000 4.701 4.574 4.775 . 0 0 "[ . 1 . 2 ]" 1
102 1 15 TYR HA 1 16 ILE H 0.000 . 2.700 2.448 2.364 2.503 . 0 0 "[ . 1 . 2 ]" 1
103 1 15 TYR QB 1 16 ILE H 0.000 . 3.500 3.414 3.341 3.527 0.027 1 0 "[ . 1 . 2 ]" 1
104 1 15 TYR QE 1 16 ILE H 0.000 . 5.000 3.633 3.527 3.845 . 0 0 "[ . 1 . 2 ]" 1
105 1 9 GLU HA 1 17 TYR H 0.000 . 3.500 3.432 3.264 3.525 0.025 2 0 "[ . 1 . 2 ]" 1
106 1 15 TYR QE 1 17 TYR HA 0.000 . 3.500 1.975 1.931 2.086 . 0 0 "[ . 1 . 2 ]" 1
107 1 15 TYR QE 1 17 TYR H 0.000 . 3.500 3.503 3.430 3.531 0.031 13 0 "[ . 1 . 2 ]" 1
108 1 16 ILE HA 1 17 TYR H 0.000 . 2.700 2.211 2.196 2.262 . 0 0 "[ . 1 . 2 ]" 1
109 1 16 ILE QG 1 17 TYR H 0.000 . 5.000 4.517 4.125 4.756 . 0 0 "[ . 1 . 2 ]" 1
110 1 16 ILE MG 1 17 TYR H 0.000 . 3.500 3.018 2.823 3.394 . 0 0 "[ . 1 . 2 ]" 1
111 1 17 TYR HH 1 28 ILE MG 0.000 . 3.500 2.777 2.109 3.350 . 0 0 "[ . 1 . 2 ]" 1
112 1 17 TYR HH 1 32 THR HB 0.000 . 3.500 3.085 2.739 3.488 . 0 0 "[ . 1 . 2 ]" 1
113 1 17 TYR HH 1 32 THR MG 0.000 . 3.500 3.017 2.621 3.433 . 0 0 "[ . 1 . 2 ]" 1
114 1 17 TYR HH 1 32 THR H 0.000 . 5.000 4.647 4.355 5.006 0.006 7 0 "[ . 1 . 2 ]" 1
115 1 17 TYR QB 1 34 PHE QD 0.000 . 5.000 2.915 2.653 3.126 . 0 0 "[ . 1 . 2 ]" 1
116 1 17 TYR HH 1 37 LEU MD1 0.000 . 5.000 4.007 3.448 4.501 . 0 0 "[ . 1 . 2 ]" 1
117 1 17 TYR HH 1 37 LEU MD2 0.000 . 3.500 2.998 2.674 3.354 . 0 0 "[ . 1 . 2 ]" 1
118 1 16 ILE MG 1 18 GLU HG3 0.000 . 3.500 2.959 2.504 3.515 0.015 21 0 "[ . 1 . 2 ]" 1
119 1 16 ILE MG 1 18 GLU HG2 0.000 . 3.500 3.178 2.634 3.513 0.013 3 0 "[ . 1 . 2 ]" 1
120 1 17 TYR HA 1 18 GLU H 0.000 . 2.700 2.221 2.192 2.255 . 0 0 "[ . 1 . 2 ]" 1
121 1 17 TYR QD 1 18 GLU H 0.000 . 3.500 3.263 2.914 3.496 . 0 0 "[ . 1 . 2 ]" 1
122 1 18 GLU QB 1 21 LYS H 0.000 . 3.500 2.893 2.721 2.978 . 0 0 "[ . 1 . 2 ]" 1
123 1 7 LYS HA 1 19 PRO HD3 0.000 . 3.500 2.408 2.173 2.573 . 0 0 "[ . 1 . 2 ]" 1
124 1 7 LYS HA 1 19 PRO HD2 0.000 . 3.500 3.087 2.867 3.287 . 0 0 "[ . 1 . 2 ]" 1
125 1 17 TYR QE 1 19 PRO HA 0.000 . 3.500 2.908 2.698 3.174 . 0 0 "[ . 1 . 2 ]" 1
126 1 17 TYR QE 1 19 PRO HB2 0.000 . 5.000 4.127 3.870 4.312 . 0 0 "[ . 1 . 2 ]" 1
127 1 17 TYR QE 1 19 PRO HB3 0.000 . 3.500 2.458 2.178 2.653 . 0 0 "[ . 1 . 2 ]" 1
128 1 17 TYR QD 1 19 PRO HD3 0.000 . 5.000 3.054 2.747 3.380 . 0 0 "[ . 1 . 2 ]" 1
129 1 17 TYR QE 1 19 PRO HD3 0.000 . 5.000 3.586 3.252 3.929 . 0 0 "[ . 1 . 2 ]" 1
130 1 17 TYR QD 1 19 PRO QG 0.000 . 5.000 4.220 4.028 4.358 . 0 0 "[ . 1 . 2 ]" 1
131 1 17 TYR QE 1 19 PRO QG 0.000 . 5.000 3.849 3.564 4.055 . 0 0 "[ . 1 . 2 ]" 1
132 1 18 GLU HA 1 19 PRO HD3 0.000 . 2.700 2.421 2.367 2.503 . 0 0 "[ . 1 . 2 ]" 1
133 1 18 GLU HA 1 19 PRO HD2 0.000 . 2.700 2.072 2.031 2.119 . 0 0 "[ . 1 . 2 ]" 1
134 1 19 PRO HA 1 20 GLU H 0.000 . 3.500 3.549 3.545 3.553 0.053 14 0 "[ . 1 . 2 ]" 1
135 1 19 PRO HB2 1 20 GLU H 0.000 . 2.700 2.428 2.228 2.559 . 0 0 "[ . 1 . 2 ]" 1
136 1 19 PRO HB3 1 20 GLU H 0.000 . 3.500 3.645 3.565 3.693 0.193 20 0 "[ . 1 . 2 ]" 1
137 1 19 PRO HB2 1 33 PRO HA 0.000 . 3.500 2.300 2.089 2.481 . 0 0 "[ . 1 . 2 ]" 1
138 1 19 PRO HB3 1 33 PRO HA 0.000 . 3.500 1.940 1.902 1.995 . 0 0 "[ . 1 . 2 ]" 1
139 1 19 PRO QG 1 34 PHE H 0.000 . 3.500 3.453 3.173 3.533 0.033 11 0 "[ . 1 . 2 ]" 1
140 1 19 PRO QG 1 20 GLU H 0.000 . 3.500 1.847 1.833 1.870 . 0 0 "[ . 1 . 2 ]" 1
141 1 20 GLU QB 1 21 LYS H 0.000 . 3.500 2.872 2.761 3.518 0.018 2 0 "[ . 1 . 2 ]" 1
142 1 20 GLU H 1 21 LYS H 0.000 . 3.500 2.902 2.857 2.948 . 0 0 "[ . 1 . 2 ]" 1
143 1 20 GLU H 1 22 GLY H 0.000 . 5.000 4.333 4.117 4.507 . 0 0 "[ . 1 . 2 ]" 1
144 1 20 GLU HA 1 31 GLY HA3 0.000 . 3.500 2.995 2.587 3.267 . 0 0 "[ . 1 . 2 ]" 1
145 1 20 GLU HA 1 31 GLY H 0.000 . 2.700 2.479 2.308 2.658 . 0 0 "[ . 1 . 2 ]" 1
146 1 20 GLU H 1 31 GLY H 0.000 . 5.000 4.897 4.750 5.015 0.015 11 0 "[ . 1 . 2 ]" 1
147 1 20 GLU HA 1 32 THR H 0.000 . 5.000 3.451 3.051 3.746 . 0 0 "[ . 1 . 2 ]" 1
148 1 20 GLU HA 1 21 LYS H 0.000 . 3.500 3.517 3.511 3.525 0.025 19 0 "[ . 1 . 2 ]" 1
149 1 21 LYS H 1 22 GLY H 0.000 . 2.700 2.253 2.139 2.373 . 0 0 "[ . 1 . 2 ]" 1
150 1 21 LYS HA 1 30 PRO HA 0.000 . 3.500 3.535 3.480 3.564 0.064 9 0 "[ . 1 . 2 ]" 1
151 1 21 LYS HA 1 30 PRO HB2 0.000 . 3.500 3.547 3.413 3.728 0.228 15 0 "[ . 1 . 2 ]" 1
152 1 21 LYS H 1 31 GLY H 0.000 . 5.000 4.510 4.406 4.639 . 0 0 "[ . 1 . 2 ]" 1
153 1 17 TYR QE 1 22 GLY H 0.000 . 5.000 5.013 4.926 5.045 0.045 2 0 "[ . 1 . 2 ]" 1
154 1 19 PRO HA 1 22 GLY H 0.000 . 3.500 3.306 3.148 3.441 . 0 0 "[ . 1 . 2 ]" 1
155 1 21 LYS HA 1 22 GLY H 0.000 . 3.500 3.539 3.492 3.560 0.060 10 0 "[ . 1 . 2 ]" 1
156 1 21 LYS QB 1 22 GLY H 0.000 . 3.500 2.667 2.502 2.949 . 0 0 "[ . 1 . 2 ]" 1
157 1 22 GLY H 1 23 ASP H 0.000 . 5.000 4.234 4.044 4.375 . 0 0 "[ . 1 . 2 ]" 1
158 1 22 GLY QA 1 28 ILE MG 0.000 . 3.500 2.422 2.247 2.740 . 0 0 "[ . 1 . 2 ]" 1
159 1 22 GLY H 1 28 ILE MG 0.000 . 5.000 4.599 4.370 4.907 . 0 0 "[ . 1 . 2 ]" 1
160 1 22 GLY H 1 30 PRO HB2 0.000 . 5.000 5.114 4.833 5.308 0.308 15 0 "[ . 1 . 2 ]" 1
161 1 22 GLY H 1 31 GLY H 0.000 . 5.000 4.812 4.536 5.015 0.015 21 0 "[ . 1 . 2 ]" 1
162 1 17 TYR QE 1 23 ASP H 0.000 . 5.000 3.015 2.839 3.212 . 0 0 "[ . 1 . 2 ]" 1
163 1 22 GLY QA 1 23 ASP H 0.000 . 2.700 2.223 2.177 2.268 . 0 0 "[ . 1 . 2 ]" 1
164 1 23 ASP HA 1 24 LYS H 0.000 . 3.500 2.608 2.585 2.642 . 0 0 "[ . 1 . 2 ]" 1
165 1 23 ASP H 1 24 LYS H 0.000 . 3.500 3.587 3.558 3.614 0.114 19 0 "[ . 1 . 2 ]" 1
166 1 23 ASP QB 1 26 ALA H 0.000 . 3.500 2.849 2.554 3.209 . 0 0 "[ . 1 . 2 ]" 1
167 1 23 ASP QB 1 28 ILE HG13 0.000 . 5.000 3.666 3.517 3.960 . 0 0 "[ . 1 . 2 ]" 1
168 1 23 ASP H 1 28 ILE HA 0.000 . 5.000 4.387 4.293 4.519 . 0 0 "[ . 1 . 2 ]" 1
169 1 23 ASP H 1 28 ILE MG 0.000 . 3.500 2.262 2.016 2.538 . 0 0 "[ . 1 . 2 ]" 1
170 1 23 ASP H 1 28 ILE H 0.000 . 3.500 3.542 3.485 3.566 0.066 15 0 "[ . 1 . 2 ]" 1
171 1 23 ASP QB 1 24 LYS HA 0.000 . 5.000 4.722 4.660 4.841 . 0 0 "[ . 1 . 2 ]" 1
172 1 23 ASP HA 1 24 LYS HB2 0.000 . 5.000 4.373 4.310 4.470 . 0 0 "[ . 1 . 2 ]" 1
173 1 23 ASP QB 1 24 LYS H 0.000 . 5.000 3.958 3.934 3.993 . 0 0 "[ . 1 . 2 ]" 1
174 1 24 LYS HA 1 25 PHE H 0.000 . 3.500 3.517 3.509 3.523 0.023 6 0 "[ . 1 . 2 ]" 1
175 1 24 LYS HB3 1 25 PHE H 0.000 . 3.500 3.174 2.916 3.511 0.011 13 0 "[ . 1 . 2 ]" 1
176 1 24 LYS H 1 25 PHE H 0.000 . 3.500 2.899 2.849 2.943 . 0 0 "[ . 1 . 2 ]" 1
177 1 24 LYS HA 1 28 ILE H 0.000 . 5.000 3.300 3.028 4.014 . 0 0 "[ . 1 . 2 ]" 1
178 1 23 ASP HA 1 25 PHE H 0.000 . 5.000 3.253 3.204 3.295 . 0 0 "[ . 1 . 2 ]" 1
179 1 23 ASP QB 1 25 PHE H 0.000 . 5.000 4.091 3.855 4.282 . 0 0 "[ . 1 . 2 ]" 1
180 1 24 LYS HB2 1 25 PHE H 0.000 . 3.500 3.329 3.022 3.540 0.040 8 0 "[ . 1 . 2 ]" 1
181 1 24 LYS QG 1 25 PHE H 0.000 . 5.000 4.505 4.368 4.638 . 0 0 "[ . 1 . 2 ]" 1
182 1 25 PHE H 1 26 ALA H 0.000 . 3.500 2.496 2.418 2.621 . 0 0 "[ . 1 . 2 ]" 1
183 1 25 PHE H 1 27 GLY H 0.000 . 5.000 3.880 3.798 3.963 . 0 0 "[ . 1 . 2 ]" 1
184 1 25 PHE QB 1 44 PRO HB2 0.000 . 5.000 2.784 2.182 3.536 . 0 0 "[ . 1 . 2 ]" 1
185 1 25 PHE QB 1 44 PRO HB3 0.000 . 5.000 3.125 2.627 3.625 . 0 0 "[ . 1 . 2 ]" 1
186 1 23 ASP QB 1 26 ALA MB 0.000 . 2.700 2.002 1.869 2.324 . 0 0 "[ . 1 . 2 ]" 1
187 1 24 LYS H 1 26 ALA H 0.000 . 5.000 4.292 4.216 4.415 . 0 0 "[ . 1 . 2 ]" 1
188 1 25 PHE QB 1 26 ALA MB 0.000 . 5.000 3.572 3.479 3.641 . 0 0 "[ . 1 . 2 ]" 1
189 1 25 PHE QB 1 26 ALA H 0.000 . 3.500 2.868 2.693 3.005 . 0 0 "[ . 1 . 2 ]" 1
190 1 26 ALA H 1 27 GLY H 0.000 . 3.500 2.156 2.079 2.227 . 0 0 "[ . 1 . 2 ]" 1
191 1 26 ALA MB 1 28 ILE MD 0.000 . 3.500 2.024 1.880 2.197 . 0 0 "[ . 1 . 2 ]" 1
192 1 26 ALA MB 1 28 ILE H 0.000 . 5.000 3.358 2.837 3.606 . 0 0 "[ . 1 . 2 ]" 1
193 1 26 ALA H 1 28 ILE H 0.000 . 3.500 3.487 3.400 3.529 0.029 20 0 "[ . 1 . 2 ]" 1
194 1 26 ALA MB 1 41 PHE QD 0.000 . 3.500 3.481 3.278 3.545 0.045 1 0 "[ . 1 . 2 ]" 1
195 1 26 ALA MB 1 44 PRO HA 0.000 . 5.000 3.932 3.399 4.638 . 0 0 "[ . 1 . 2 ]" 1
196 1 26 ALA MB 1 44 PRO HB3 0.000 . 3.500 2.513 2.022 2.965 . 0 0 "[ . 1 . 2 ]" 1
197 1 26 ALA MB 1 44 PRO HD3 0.000 . 5.000 3.302 2.798 3.770 . 0 0 "[ . 1 . 2 ]" 1
198 1 26 ALA H 1 44 PRO HB3 0.000 . 5.000 4.035 3.512 4.835 . 0 0 "[ . 1 . 2 ]" 1
199 1 23 ASP QB 1 27 GLY H 0.000 . 5.000 3.154 2.914 3.490 . 0 0 "[ . 1 . 2 ]" 1
200 1 25 PHE QB 1 27 GLY H 0.000 . 5.000 4.665 4.512 4.785 . 0 0 "[ . 1 . 2 ]" 1
201 1 26 ALA HA 1 27 GLY H 0.000 . 3.500 3.516 3.491 3.534 0.034 2 0 "[ . 1 . 2 ]" 1
202 1 26 ALA MB 1 27 GLY H 0.000 . 3.500 2.764 2.568 2.886 . 0 0 "[ . 1 . 2 ]" 1
203 1 27 GLY HA2 1 28 ILE H 0.000 . 3.500 3.499 3.361 3.555 0.055 14 0 "[ . 1 . 2 ]" 1
204 1 27 GLY H 1 28 ILE HB 0.000 . 5.000 3.932 3.783 4.063 . 0 0 "[ . 1 . 2 ]" 1
205 1 27 GLY H 1 28 ILE H 0.000 . 3.500 1.928 1.910 1.946 . 0 0 "[ . 1 . 2 ]" 1
206 1 17 TYR QE 1 28 ILE MG 0.000 . 3.500 2.886 2.372 3.389 . 0 0 "[ . 1 . 2 ]" 1
207 1 22 GLY QA 1 28 ILE HB 0.000 . 5.000 3.647 3.548 3.740 . 0 0 "[ . 1 . 2 ]" 1
208 1 23 ASP QB 1 28 ILE HB 0.000 . 3.500 1.987 1.887 2.223 . 0 0 "[ . 1 . 2 ]" 1
209 1 23 ASP H 1 28 ILE HB 0.000 . 3.500 1.929 1.900 2.044 . 0 0 "[ . 1 . 2 ]" 1
210 1 23 ASP QB 1 28 ILE MD 0.000 . 3.500 1.881 1.774 2.002 . 0 0 "[ . 1 . 2 ]" 1
211 1 23 ASP QB 1 28 ILE MG 0.000 . 5.000 3.031 2.853 3.242 . 0 0 "[ . 1 . 2 ]" 1
212 1 23 ASP QB 1 28 ILE H 0.000 . 3.500 2.774 2.181 3.030 . 0 0 "[ . 1 . 2 ]" 1
213 1 28 ILE MG 1 29 PRO HD2 0.000 . 3.500 2.468 2.123 2.880 . 0 0 "[ . 1 . 2 ]" 1
214 1 28 ILE MG 1 32 THR HB 0.000 . 3.500 2.659 2.464 2.862 . 0 0 "[ . 1 . 2 ]" 1
215 1 28 ILE MD 1 37 LEU MD1 0.000 . 3.500 3.379 3.077 3.520 0.020 1 0 "[ . 1 . 2 ]" 1
216 1 28 ILE MD 1 37 LEU MD2 0.000 . 2.700 1.878 1.696 2.159 . 0 0 "[ . 1 . 2 ]" 1
217 1 28 ILE HG12 1 37 LEU MD2 0.000 . 2.700 2.616 2.264 2.720 0.020 11 0 "[ . 1 . 2 ]" 1
218 1 28 ILE MG 1 37 LEU MD1 0.000 . 5.000 4.254 4.024 4.479 . 0 0 "[ . 1 . 2 ]" 1
219 1 28 ILE MG 1 37 LEU MD2 0.000 . 3.500 2.165 1.928 2.367 . 0 0 "[ . 1 . 2 ]" 1
220 1 28 ILE MD 1 41 PHE QD 0.000 . 3.500 2.150 1.906 2.442 . 0 0 "[ . 1 . 2 ]" 1
221 1 21 LYS H 1 30 PRO HA 0.000 . 5.000 3.923 3.776 4.049 . 0 0 "[ . 1 . 2 ]" 1
222 1 22 GLY H 1 30 PRO HA 0.000 . 3.500 2.957 2.691 3.115 . 0 0 "[ . 1 . 2 ]" 1
223 1 30 PRO HA 1 32 THR H 0.000 . 3.500 3.255 3.134 3.504 0.004 1 0 "[ . 1 . 2 ]" 1
224 1 21 LYS HA 1 31 GLY H 0.000 . 5.000 4.349 4.194 4.501 . 0 0 "[ . 1 . 2 ]" 1
225 1 30 PRO HA 1 31 GLY H 0.000 . 2.700 2.758 2.743 2.765 0.065 11 0 "[ . 1 . 2 ]" 1
226 1 30 PRO HB3 1 31 GLY H 0.000 . 3.500 3.215 3.209 3.224 . 0 0 "[ . 1 . 2 ]" 1
227 1 30 PRO HB2 1 31 GLY H 0.000 . 3.500 1.947 1.935 1.970 . 0 0 "[ . 1 . 2 ]" 1
228 1 30 PRO QG 1 31 GLY H 0.000 . 3.500 3.585 3.576 3.601 0.101 2 0 "[ . 1 . 2 ]" 1
229 1 31 GLY H 1 32 THR H 0.000 . 3.500 2.846 2.808 2.907 . 0 0 "[ . 1 . 2 ]" 1
230 1 19 PRO HB2 1 32 THR H 0.000 . 5.000 3.897 3.574 4.305 . 0 0 "[ . 1 . 2 ]" 1
231 1 31 GLY HA3 1 32 THR H 0.000 . 3.500 2.979 2.850 3.041 . 0 0 "[ . 1 . 2 ]" 1
232 1 32 THR HA 1 36 ASP HB3 0.000 . 5.000 4.124 3.620 4.685 . 0 0 "[ . 1 . 2 ]" 1
233 1 32 THR MG 1 36 ASP HB3 0.000 . 3.500 2.298 1.948 2.806 . 0 0 "[ . 1 . 2 ]" 1
234 1 32 THR MG 1 36 ASP HB2 0.000 . 3.500 2.960 2.238 3.507 0.007 10 0 "[ . 1 . 2 ]" 1
235 1 32 THR HB 1 37 LEU MD2 0.000 . 5.000 4.383 4.140 4.824 . 0 0 "[ . 1 . 2 ]" 1
236 1 32 THR MG 1 37 LEU HA 0.000 . 5.000 3.650 3.364 4.042 . 0 0 "[ . 1 . 2 ]" 1
237 1 32 THR MG 1 37 LEU MD2 0.000 . 3.500 2.931 2.713 3.375 . 0 0 "[ . 1 . 2 ]" 1
238 1 17 TYR QE 1 33 PRO HA 0.000 . 3.500 3.522 3.457 3.549 0.049 15 0 "[ . 1 . 2 ]" 1
239 1 19 PRO HD3 1 33 PRO HA 0.000 . 5.000 4.912 4.808 5.013 0.013 5 0 "[ . 1 . 2 ]" 1
240 1 19 PRO QG 1 33 PRO HA 0.000 . 3.500 3.293 3.118 3.499 . 0 0 "[ . 1 . 2 ]" 1
241 1 33 PRO HA 1 34 PHE HA 0.000 . 5.000 4.423 4.415 4.436 . 0 0 "[ . 1 . 2 ]" 1
242 1 33 PRO QB 1 35 VAL H 0.000 . 3.500 2.428 2.331 2.579 . 0 0 "[ . 1 . 2 ]" 1
243 1 8 TYR QE 1 34 PHE HB3 0.000 . 3.500 2.786 2.262 3.214 . 0 0 "[ . 1 . 2 ]" 1
244 1 8 TYR QE 1 34 PHE HB2 0.000 . 5.000 3.791 3.278 4.200 . 0 0 "[ . 1 . 2 ]" 1
245 1 17 TYR QD 1 34 PHE HA 0.000 . 5.000 3.575 3.501 3.775 . 0 0 "[ . 1 . 2 ]" 1
246 1 17 TYR QE 1 34 PHE HA 0.000 . 3.500 2.181 2.112 2.398 . 0 0 "[ . 1 . 2 ]" 1
247 1 17 TYR QD 1 34 PHE HB3 0.000 . 3.500 3.570 3.537 3.598 0.098 2 0 "[ . 1 . 2 ]" 1
248 1 17 TYR QE 1 34 PHE HB3 0.000 . 3.500 3.450 3.289 3.522 0.022 11 0 "[ . 1 . 2 ]" 1
249 1 17 TYR QD 1 34 PHE HB2 0.000 . 3.500 1.937 1.893 2.016 . 0 0 "[ . 1 . 2 ]" 1
250 1 17 TYR QE 1 34 PHE HB2 0.000 . 3.500 2.270 2.136 2.405 . 0 0 "[ . 1 . 2 ]" 1
251 1 17 TYR QD 1 34 PHE QD 0.000 . 3.500 2.700 2.471 2.975 . 0 0 "[ . 1 . 2 ]" 1
252 1 33 PRO HA 1 34 PHE H 0.000 . 2.700 2.311 2.271 2.372 . 0 0 "[ . 1 . 2 ]" 1
253 1 33 PRO QB 1 34 PHE H 0.000 . 3.500 2.951 2.774 3.028 . 0 0 "[ . 1 . 2 ]" 1
254 1 34 PHE H 1 34 PHE HB2 0.000 . 3.500 2.567 2.497 2.679 . 0 0 "[ . 1 . 2 ]" 1
255 1 34 PHE H 1 35 VAL H 0.000 . 3.500 2.763 2.625 2.843 . 0 0 "[ . 1 . 2 ]" 1
256 1 34 PHE HA 1 37 LEU QB 0.000 . 5.000 3.755 3.486 4.005 . 0 0 "[ . 1 . 2 ]" 1
257 1 34 PHE HA 1 37 LEU MD1 0.000 . 2.700 2.353 2.002 2.586 . 0 0 "[ . 1 . 2 ]" 1
258 1 34 PHE HA 1 37 LEU MD2 0.000 . 3.500 3.427 3.168 3.522 0.022 11 0 "[ . 1 . 2 ]" 1
259 1 34 PHE H 1 37 LEU MD1 0.000 . 5.000 4.662 4.399 4.863 . 0 0 "[ . 1 . 2 ]" 1
260 1 34 PHE QE 1 53 PHE QD 0.000 . 5.000 3.009 2.558 3.286 . 0 0 "[ . 1 . 2 ]" 1
261 1 34 PHE HZ 1 53 PHE QD 0.000 . 5.000 3.920 3.667 4.363 . 0 0 "[ . 1 . 2 ]" 1
262 1 8 TYR QE 1 35 VAL H 0.000 . 5.000 4.574 4.142 5.001 0.001 5 0 "[ . 1 . 2 ]" 1
263 1 33 PRO QB 1 35 VAL QG 0.000 . 3.500 1.834 1.755 2.084 . 0 0 "[ . 1 . 2 ]" 1
264 1 33 PRO HA 1 35 VAL H 0.000 . 5.000 4.035 3.922 4.213 . 0 0 "[ . 1 . 2 ]" 1
265 1 34 PHE QD 1 35 VAL HA 0.000 . 3.500 3.057 2.676 3.378 . 0 0 "[ . 1 . 2 ]" 1
266 1 34 PHE QE 1 35 VAL HA 0.000 . 5.000 4.116 3.677 4.420 . 0 0 "[ . 1 . 2 ]" 1
267 1 34 PHE QD 1 35 VAL QG 0.000 . 3.500 2.627 2.262 3.448 . 0 0 "[ . 1 . 2 ]" 1
268 1 34 PHE HA 1 35 VAL H 0.000 . 3.500 3.520 3.493 3.544 0.044 13 0 "[ . 1 . 2 ]" 1
269 1 34 PHE HB3 1 35 VAL H 0.000 . 3.500 2.853 2.695 2.973 . 0 0 "[ . 1 . 2 ]" 1
270 1 34 PHE QD 1 35 VAL H 0.000 . 5.000 3.243 2.818 3.528 . 0 0 "[ . 1 . 2 ]" 1
271 1 35 VAL H 1 35 VAL HB 0.000 . 3.500 3.456 2.107 3.528 0.028 3 0 "[ . 1 . 2 ]" 1
272 1 35 VAL H 1 36 ASP H 0.000 . 3.500 2.641 2.555 2.723 . 0 0 "[ . 1 . 2 ]" 1
273 1 35 VAL HA 1 37 LEU QB 0.000 . 5.000 4.524 4.338 4.741 . 0 0 "[ . 1 . 2 ]" 1
274 1 35 VAL H 1 37 LEU H 0.000 . 5.000 4.198 4.052 4.293 . 0 0 "[ . 1 . 2 ]" 1
275 1 35 VAL HA 1 50 LYS HE2 0.000 . 5.000 4.038 3.778 4.311 . 0 0 "[ . 1 . 2 ]" 1
276 1 33 PRO HG2 1 36 ASP HB3 0.000 . 5.000 3.622 2.949 4.137 . 0 0 "[ . 1 . 2 ]" 1
277 1 33 PRO QG 1 36 ASP HB2 0.000 . 3.500 2.105 1.922 2.612 . 0 0 "[ . 1 . 2 ]" 1
278 1 33 PRO QB 1 36 ASP H 0.000 . 3.500 3.378 3.226 3.449 . 0 0 "[ . 1 . 2 ]" 1
279 1 34 PHE HA 1 36 ASP H 0.000 . 5.000 3.717 3.598 3.949 . 0 0 "[ . 1 . 2 ]" 1
280 1 34 PHE H 1 36 ASP H 0.000 . 5.000 4.217 4.101 4.289 . 0 0 "[ . 1 . 2 ]" 1
281 1 35 VAL HA 1 36 ASP H 0.000 . 3.500 3.454 3.422 3.497 . 0 0 "[ . 1 . 2 ]" 1
282 1 35 VAL HB 1 36 ASP H 0.000 . 5.000 4.069 3.955 4.186 . 0 0 "[ . 1 . 2 ]" 1
283 1 36 ASP H 1 37 LEU QB 0.000 . 5.000 4.330 4.207 4.439 . 0 0 "[ . 1 . 2 ]" 1
284 1 36 ASP H 1 37 LEU H 0.000 . 2.700 2.364 2.237 2.458 . 0 0 "[ . 1 . 2 ]" 1
285 1 17 TYR QD 1 37 LEU MD1 0.000 . 3.500 3.184 2.941 3.378 . 0 0 "[ . 1 . 2 ]" 1
286 1 17 TYR QE 1 37 LEU MD1 0.000 . 3.500 2.951 2.710 3.193 . 0 0 "[ . 1 . 2 ]" 1
287 1 34 PHE QD 1 37 LEU MD1 0.000 . 3.500 2.114 1.879 2.436 . 0 0 "[ . 1 . 2 ]" 1
288 1 34 PHE QE 1 37 LEU MD1 0.000 . 5.000 2.816 2.478 3.025 . 0 0 "[ . 1 . 2 ]" 1
289 1 34 PHE HA 1 37 LEU HG 0.000 . 2.700 2.083 1.981 2.267 . 0 0 "[ . 1 . 2 ]" 1
290 1 34 PHE HA 1 37 LEU H 0.000 . 3.500 3.452 3.262 3.513 0.013 17 0 "[ . 1 . 2 ]" 1
291 1 35 VAL HA 1 37 LEU H 0.000 . 5.000 3.893 3.806 4.017 . 0 0 "[ . 1 . 2 ]" 1
292 1 36 ASP HA 1 37 LEU H 0.000 . 3.500 3.368 3.311 3.473 . 0 0 "[ . 1 . 2 ]" 1
293 1 36 ASP HB3 1 37 LEU H 0.000 . 5.000 3.673 3.295 3.943 . 0 0 "[ . 1 . 2 ]" 1
294 1 36 ASP HB2 1 37 LEU H 0.000 . 5.000 3.822 3.353 4.260 . 0 0 "[ . 1 . 2 ]" 1
295 1 37 LEU H 1 37 LEU QB 0.000 . 3.500 2.234 2.161 2.375 . 0 0 "[ . 1 . 2 ]" 1
296 1 37 LEU H 1 37 LEU MD2 0.000 . 3.500 3.436 3.127 3.546 0.046 8 0 "[ . 1 . 2 ]" 1
297 1 37 LEU HA 1 38 SER H 0.000 . 2.700 2.449 2.289 2.605 . 0 0 "[ . 1 . 2 ]" 1
298 1 37 LEU H 1 38 SER H 0.000 . 5.000 4.688 4.640 4.704 . 0 0 "[ . 1 . 2 ]" 1
299 1 37 LEU MD1 1 41 PHE QD 0.000 . 3.500 2.932 2.704 3.099 . 0 0 "[ . 1 . 2 ]" 1
300 1 37 LEU MD1 1 41 PHE QE 0.000 . 5.000 3.223 3.067 3.458 . 0 0 "[ . 1 . 2 ]" 1
301 1 37 LEU MD2 1 41 PHE QD 0.000 . 3.500 3.034 2.743 3.342 . 0 0 "[ . 1 . 2 ]" 1
302 1 37 LEU H 1 50 LYS HE2 0.000 . 5.000 4.617 3.983 5.011 0.011 7 0 "[ . 1 . 2 ]" 1
303 1 37 LEU H 1 50 LYS HE3 0.000 . 5.000 3.526 3.018 4.134 . 0 0 "[ . 1 . 2 ]" 1
304 1 37 LEU QB 1 38 SER H 0.000 . 3.500 2.555 2.202 2.968 . 0 0 "[ . 1 . 2 ]" 1
305 1 37 LEU MD1 1 38 SER H 0.000 . 5.000 4.408 4.111 4.814 . 0 0 "[ . 1 . 2 ]" 1
306 1 37 LEU MD2 1 38 SER H 0.000 . 3.500 2.838 2.581 3.207 . 0 0 "[ . 1 . 2 ]" 1
307 1 38 SER QB 1 40 SER H 0.000 . 5.000 2.586 2.280 3.651 . 0 0 "[ . 1 . 2 ]" 1
308 1 38 SER H 1 41 PHE HB2 0.000 . 5.000 2.619 2.315 2.906 . 0 0 "[ . 1 . 2 ]" 1
309 1 38 SER H 1 41 PHE HB3 0.000 . 5.000 4.013 3.695 4.331 . 0 0 "[ . 1 . 2 ]" 1
310 1 38 SER HA 1 39 ASP H 0.000 . 2.700 2.406 2.251 2.575 . 0 0 "[ . 1 . 2 ]" 1
311 1 39 ASP HA 1 41 PHE H 0.000 . 5.000 4.360 3.923 4.706 . 0 0 "[ . 1 . 2 ]" 1
312 1 39 ASP HB3 1 40 SER H 0.000 . 3.500 3.315 2.873 3.977 0.477 17 0 "[ . 1 . 2 ]" 1
313 1 39 ASP H 1 40 SER H 0.000 . 3.500 2.671 2.453 2.820 . 0 0 "[ . 1 . 2 ]" 1
314 1 40 SER H 1 41 PHE HB3 0.000 . 5.000 4.838 4.552 5.030 0.030 6 0 "[ . 1 . 2 ]" 1
315 1 40 SER H 1 41 PHE H 0.000 . 3.500 2.782 2.442 3.084 . 0 0 "[ . 1 . 2 ]" 1
316 1 40 SER HA 1 50 LYS HB3 0.000 . 5.000 4.275 3.895 4.584 . 0 0 "[ . 1 . 2 ]" 1
317 1 37 LEU QB 1 41 PHE HA 0.000 . 5.000 4.662 4.361 4.932 . 0 0 "[ . 1 . 2 ]" 1
318 1 37 LEU QB 1 41 PHE HB2 0.000 . 3.500 2.420 2.096 2.720 . 0 0 "[ . 1 . 2 ]" 1
319 1 37 LEU MD2 1 41 PHE HB2 0.000 . 3.500 3.293 3.072 3.504 0.004 11 0 "[ . 1 . 2 ]" 1
320 1 37 LEU QB 1 41 PHE HB3 0.000 . 2.700 2.718 2.674 2.759 0.059 10 0 "[ . 1 . 2 ]" 1
321 1 37 LEU MD2 1 41 PHE HB3 0.000 . 5.000 4.128 3.947 4.405 . 0 0 "[ . 1 . 2 ]" 1
322 1 37 LEU QB 1 41 PHE H 0.000 . 5.000 4.040 3.890 4.208 . 0 0 "[ . 1 . 2 ]" 1
323 1 38 SER QB 1 41 PHE H 0.000 . 3.500 3.039 2.732 3.347 . 0 0 "[ . 1 . 2 ]" 1
324 1 40 SER HA 1 41 PHE H 0.000 . 3.500 2.844 2.645 3.070 . 0 0 "[ . 1 . 2 ]" 1
325 1 40 SER HB2 1 41 PHE H 0.000 . 5.000 4.435 4.167 4.639 . 0 0 "[ . 1 . 2 ]" 1
326 1 41 PHE H 1 42 MET H 0.000 . 5.000 4.631 4.559 4.685 . 0 0 "[ . 1 . 2 ]" 1
327 1 41 PHE HB2 1 50 LYS HB3 0.000 . 5.000 4.842 4.714 4.911 . 0 0 "[ . 1 . 2 ]" 1
328 1 41 PHE HB2 1 50 LYS HB2 0.000 . 3.500 3.596 3.576 3.617 0.117 10 0 "[ . 1 . 2 ]" 1
329 1 41 PHE HB2 1 50 LYS QD 0.000 . 3.500 3.239 2.946 3.441 . 0 0 "[ . 1 . 2 ]" 1
330 1 41 PHE HB3 1 50 LYS HB3 0.000 . 5.000 3.158 3.044 3.225 . 0 0 "[ . 1 . 2 ]" 1
331 1 41 PHE HB3 1 50 LYS QD 0.000 . 3.500 2.298 1.978 2.458 . 0 0 "[ . 1 . 2 ]" 1
332 1 41 PHE H 1 50 LYS HB2 0.000 . 3.500 2.958 2.657 3.217 . 0 0 "[ . 1 . 2 ]" 1
333 1 41 PHE H 1 50 LYS QD 0.000 . 3.500 3.174 2.727 3.465 . 0 0 "[ . 1 . 2 ]" 1
334 1 41 PHE H 1 50 LYS HG3 0.000 . 5.000 4.684 4.263 4.991 . 0 0 "[ . 1 . 2 ]" 1
335 1 41 PHE QD 1 53 PHE QD 0.000 . 5.000 4.202 3.806 4.563 . 0 0 "[ . 1 . 2 ]" 1
336 1 41 PHE QD 1 53 PHE QE 0.000 . 5.000 3.919 3.614 4.317 . 0 0 "[ . 1 . 2 ]" 1
337 1 41 PHE QE 1 53 PHE QE 0.000 . 5.000 2.938 2.635 3.205 . 0 0 "[ . 1 . 2 ]" 1
338 1 41 PHE QD 1 42 MET HA 0.000 . 5.000 4.160 3.797 4.491 . 0 0 "[ . 1 . 2 ]" 1
339 1 41 PHE HA 1 42 MET H 0.000 . 2.700 2.237 2.207 2.292 . 0 0 "[ . 1 . 2 ]" 1
340 1 41 PHE HB2 1 42 MET H 0.000 . 5.000 4.131 4.013 4.265 . 0 0 "[ . 1 . 2 ]" 1
341 1 41 PHE HB3 1 42 MET H 0.000 . 5.000 4.335 4.181 4.457 . 0 0 "[ . 1 . 2 ]" 1
342 1 41 PHE QD 1 42 MET H 0.000 . 3.500 3.424 3.064 3.519 0.019 17 0 "[ . 1 . 2 ]" 1
343 1 42 MET H 1 42 MET HB3 0.000 . 3.500 3.699 3.641 3.761 0.261 13 0 "[ . 1 . 2 ]" 1
344 1 42 MET H 1 42 MET QG 0.000 . 3.500 2.488 2.140 2.727 . 0 0 "[ . 1 . 2 ]" 1
345 1 42 MET HB3 1 43 CYS H 0.000 . 5.000 3.055 2.648 3.290 . 0 0 "[ . 1 . 2 ]" 1
346 1 42 MET HB2 1 43 CYS H 0.000 . 5.000 3.898 3.600 4.093 . 0 0 "[ . 1 . 2 ]" 1
347 1 42 MET H 1 43 CYS H 0.000 . 5.000 4.532 4.452 4.588 . 0 0 "[ . 1 . 2 ]" 1
348 1 42 MET HB3 1 47 ARG HA 0.000 . 3.500 2.593 2.414 2.759 . 0 0 "[ . 1 . 2 ]" 1
349 1 42 MET HB2 1 47 ARG HA 0.000 . 3.500 3.537 3.507 3.557 0.057 8 0 "[ . 1 . 2 ]" 1
350 1 42 MET HA 1 49 PRO HA 0.000 . 3.500 2.948 2.710 3.179 . 0 0 "[ . 1 . 2 ]" 1
351 1 42 MET HA 1 43 CYS H 0.000 . 2.700 2.295 2.226 2.432 . 0 0 "[ . 1 . 2 ]" 1
352 1 43 CYS QB 1 47 ARG HA 0.000 . 3.500 3.126 2.992 3.351 . 0 0 "[ . 1 . 2 ]" 1
353 1 43 CYS H 1 47 ARG HA 0.000 . 3.500 3.132 2.878 3.389 . 0 0 "[ . 1 . 2 ]" 1
354 1 43 CYS H 1 47 ARG H 0.000 . 5.000 3.967 3.726 4.288 . 0 0 "[ . 1 . 2 ]" 1
355 1 43 CYS H 1 48 SER HB2 0.000 . 5.000 4.171 3.550 4.897 . 0 0 "[ . 1 . 2 ]" 1
356 1 43 CYS H 1 48 SER H 0.000 . 3.500 2.853 2.693 3.000 . 0 0 "[ . 1 . 2 ]" 1
357 1 43 CYS H 1 50 LYS H 0.000 . 5.000 4.882 4.605 5.000 0.000 6 0 "[ . 1 . 2 ]" 1
358 1 43 CYS HA 1 53 PHE QE 0.000 . 3.500 3.235 2.746 3.464 . 0 0 "[ . 1 . 2 ]" 1
359 1 43 CYS H 1 53 PHE QE 0.000 . 5.000 3.096 2.826 3.418 . 0 0 "[ . 1 . 2 ]" 1
360 1 15 TYR QE 1 44 PRO HB2 0.000 . 5.000 4.478 4.036 5.002 0.002 20 0 "[ . 1 . 2 ]" 1
361 1 15 TYR QD 1 44 PRO HD2 0.000 . 5.000 3.735 3.470 3.907 . 0 0 "[ . 1 . 2 ]" 1
362 1 15 TYR QE 1 44 PRO HD2 0.000 . 5.000 3.796 3.471 3.984 . 0 0 "[ . 1 . 2 ]" 1
363 1 15 TYR QD 1 44 PRO HD3 0.000 . 5.000 4.876 4.567 5.024 0.024 6 0 "[ . 1 . 2 ]" 1
364 1 15 TYR QE 1 44 PRO HD3 0.000 . 5.000 4.325 4.044 4.516 . 0 0 "[ . 1 . 2 ]" 1
365 1 15 TYR QE 1 44 PRO HG3 0.000 . 5.000 3.700 3.371 4.060 . 0 0 "[ . 1 . 2 ]" 1
366 1 15 TYR QE 1 44 PRO HG2 0.000 . 5.000 3.036 2.583 3.458 . 0 0 "[ . 1 . 2 ]" 1
367 1 41 PHE QE 1 44 PRO HD2 0.000 . 5.000 4.206 3.947 4.468 . 0 0 "[ . 1 . 2 ]" 1
368 1 41 PHE QD 1 44 PRO HD3 0.000 . 5.000 5.005 4.924 5.033 0.033 6 0 "[ . 1 . 2 ]" 1
369 1 41 PHE QE 1 44 PRO HD3 0.000 . 5.000 3.279 3.168 3.394 . 0 0 "[ . 1 . 2 ]" 1
370 1 44 PRO HB2 1 45 ALA H 0.000 . 5.000 3.927 3.807 4.001 . 0 0 "[ . 1 . 2 ]" 1
371 1 44 PRO HG3 1 45 ALA H 0.000 . 5.000 4.550 4.388 4.655 . 0 0 "[ . 1 . 2 ]" 1
372 1 44 PRO HD2 1 53 PHE QE 0.000 . 5.000 3.765 3.592 4.020 . 0 0 "[ . 1 . 2 ]" 1
373 1 44 PRO HD3 1 53 PHE QE 0.000 . 5.000 4.263 3.984 4.540 . 0 0 "[ . 1 . 2 ]" 1
374 1 15 TYR QB 1 45 ALA MB 0.000 . 3.500 2.519 2.300 2.981 . 0 0 "[ . 1 . 2 ]" 1
375 1 15 TYR QD 1 45 ALA MB 0.000 . 3.500 2.613 2.337 3.233 . 0 0 "[ . 1 . 2 ]" 1
376 1 15 TYR QE 1 45 ALA MB 0.000 . 5.000 3.811 3.599 4.185 . 0 0 "[ . 1 . 2 ]" 1
377 1 44 PRO HD2 1 45 ALA H 0.000 . 3.500 2.754 2.630 2.821 . 0 0 "[ . 1 . 2 ]" 1
378 1 44 PRO HD3 1 45 ALA H 0.000 . 5.000 3.913 3.838 3.957 . 0 0 "[ . 1 . 2 ]" 1
379 1 45 ALA H 1 46 CYS H 0.000 . 2.700 2.069 1.986 2.206 . 0 0 "[ . 1 . 2 ]" 1
380 1 45 ALA H 1 47 ARG H 0.000 . 3.500 3.034 2.920 3.186 . 0 0 "[ . 1 . 2 ]" 1
381 1 13 CYS HA 1 46 CYS HB3 0.000 . 5.000 4.335 4.263 4.421 . 0 0 "[ . 1 . 2 ]" 1
382 1 13 CYS HA 1 46 CYS HB2 0.000 . 5.000 4.566 4.459 4.708 . 0 0 "[ . 1 . 2 ]" 1
383 1 43 CYS HA 1 46 CYS H 0.000 . 5.000 4.428 4.318 4.582 . 0 0 "[ . 1 . 2 ]" 1
384 1 43 CYS QB 1 46 CYS H 0.000 . 2.700 2.301 2.170 2.438 . 0 0 "[ . 1 . 2 ]" 1
385 1 45 ALA HA 1 46 CYS H 0.000 . 3.500 3.564 3.543 3.588 0.088 7 0 "[ . 1 . 2 ]" 1
386 1 45 ALA MB 1 46 CYS H 0.000 . 3.500 2.578 2.239 2.796 . 0 0 "[ . 1 . 2 ]" 1
387 1 43 CYS HA 1 47 ARG H 0.000 . 5.000 4.477 4.338 4.739 . 0 0 "[ . 1 . 2 ]" 1
388 1 43 CYS QB 1 47 ARG H 0.000 . 3.500 2.179 1.982 2.495 . 0 0 "[ . 1 . 2 ]" 1
389 1 45 ALA HA 1 47 ARG H 0.000 . 5.000 4.485 4.306 4.610 . 0 0 "[ . 1 . 2 ]" 1
390 1 46 CYS HA 1 47 ARG H 0.000 . 3.500 3.239 3.127 3.283 . 0 0 "[ . 1 . 2 ]" 1
391 1 46 CYS HB3 1 47 ARG H 0.000 . 5.000 4.245 4.181 4.333 . 0 0 "[ . 1 . 2 ]" 1
392 1 46 CYS H 1 47 ARG H 0.000 . 2.700 2.130 1.990 2.380 . 0 0 "[ . 1 . 2 ]" 1
393 1 47 ARG H 1 47 ARG HA 0.000 . 2.700 2.356 2.350 2.363 . 0 0 "[ . 1 . 2 ]" 1
394 1 12 ALA MB 1 48 SER HB3 0.000 . 5.000 2.997 2.443 3.171 . 0 0 "[ . 1 . 2 ]" 1
395 1 12 ALA MB 1 48 SER HB2 0.000 . 5.000 2.824 2.190 3.109 . 0 0 "[ . 1 . 2 ]" 1
396 1 42 MET HA 1 48 SER H 0.000 . 5.000 4.757 4.577 4.928 . 0 0 "[ . 1 . 2 ]" 1
397 1 42 MET QB 1 48 SER H 0.000 . 5.000 4.433 4.307 4.569 . 0 0 "[ . 1 . 2 ]" 1
398 1 43 CYS QB 1 48 SER HB3 0.000 . 5.000 3.242 2.114 3.970 . 0 0 "[ . 1 . 2 ]" 1
399 1 43 CYS QB 1 48 SER HB2 0.000 . 5.000 2.983 2.127 4.010 . 0 0 "[ . 1 . 2 ]" 1
400 1 43 CYS HA 1 48 SER H 0.000 . 5.000 4.541 4.316 4.718 . 0 0 "[ . 1 . 2 ]" 1
401 1 43 CYS QB 1 48 SER H 0.000 . 2.700 1.841 1.777 1.892 . 0 0 "[ . 1 . 2 ]" 1
402 1 47 ARG HA 1 48 SER H 0.000 . 3.500 3.171 3.093 3.230 . 0 0 "[ . 1 . 2 ]" 1
403 1 47 ARG QB 1 48 SER H 0.000 . 5.000 3.640 3.562 3.719 . 0 0 "[ . 1 . 2 ]" 1
404 1 47 ARG H 1 48 SER H 0.000 . 3.500 2.894 2.793 3.007 . 0 0 "[ . 1 . 2 ]" 1
405 1 48 SER H 1 48 SER HB2 0.000 . 3.500 2.500 2.087 3.553 0.053 5 0 "[ . 1 . 2 ]" 1
406 1 49 PRO HA 1 50 LYS H 0.000 . 2.700 2.265 2.244 2.300 . 0 0 "[ . 1 . 2 ]" 1
407 1 49 PRO HB3 1 50 LYS H 0.000 . 5.000 3.894 3.845 3.984 . 0 0 "[ . 1 . 2 ]" 1
408 1 49 PRO HB2 1 50 LYS H 0.000 . 5.000 3.306 3.203 3.442 . 0 0 "[ . 1 . 2 ]" 1
409 1 49 PRO HB3 1 51 ASN H 0.000 . 5.000 4.136 4.051 4.248 . 0 0 "[ . 1 . 2 ]" 1
410 1 34 PHE QE 1 50 LYS HA 0.000 . 5.000 3.589 3.413 4.024 . 0 0 "[ . 1 . 2 ]" 1
411 1 34 PHE HZ 1 50 LYS HA 0.000 . 5.000 3.899 3.695 4.314 . 0 0 "[ . 1 . 2 ]" 1
412 1 34 PHE HZ 1 50 LYS QD 0.000 . 5.000 4.052 3.865 4.231 . 0 0 "[ . 1 . 2 ]" 1
413 1 34 PHE QE 1 50 LYS HE2 0.000 . 3.500 2.642 2.292 2.903 . 0 0 "[ . 1 . 2 ]" 1
414 1 34 PHE QE 1 50 LYS HE3 0.000 . 5.000 3.655 3.039 4.147 . 0 0 "[ . 1 . 2 ]" 1
415 1 34 PHE QE 1 50 LYS HG3 0.000 . 5.000 2.720 2.357 3.123 . 0 0 "[ . 1 . 2 ]" 1
416 1 34 PHE HZ 1 50 LYS HG3 0.000 . 5.000 3.323 2.760 4.066 . 0 0 "[ . 1 . 2 ]" 1
417 1 34 PHE HZ 1 50 LYS HG2 0.000 . 5.000 2.097 1.928 2.489 . 0 0 "[ . 1 . 2 ]" 1
418 1 37 LEU QB 1 50 LYS HE2 0.000 . 3.500 3.133 2.613 3.601 0.101 7 0 "[ . 1 . 2 ]" 1
419 1 37 LEU MD1 1 50 LYS HE2 0.000 . 5.000 3.004 2.159 3.484 . 0 0 "[ . 1 . 2 ]" 1
420 1 37 LEU QB 1 50 LYS HE3 0.000 . 5.000 2.231 1.968 2.836 . 0 0 "[ . 1 . 2 ]" 1
421 1 39 ASP HA 1 50 LYS QD 0.000 . 5.000 4.240 3.123 4.880 . 0 0 "[ . 1 . 2 ]" 1
422 1 41 PHE HB3 1 50 LYS HA 0.000 . 5.000 4.110 3.960 4.214 . 0 0 "[ . 1 . 2 ]" 1
423 1 41 PHE QD 1 50 LYS HA 0.000 . 3.500 2.410 2.234 2.600 . 0 0 "[ . 1 . 2 ]" 1
424 1 41 PHE QD 1 50 LYS HB3 0.000 . 5.000 3.551 3.472 3.754 . 0 0 "[ . 1 . 2 ]" 1
425 1 41 PHE QD 1 50 LYS HB2 0.000 . 5.000 1.985 1.917 2.225 . 0 0 "[ . 1 . 2 ]" 1
426 1 41 PHE QD 1 50 LYS HG3 0.000 . 3.500 2.083 1.997 2.217 . 0 0 "[ . 1 . 2 ]" 1
427 1 41 PHE QD 1 50 LYS HG2 0.000 . 3.500 3.487 3.372 3.519 0.019 6 0 "[ . 1 . 2 ]" 1
428 1 41 PHE QD 1 50 LYS H 0.000 . 3.500 3.524 3.505 3.544 0.044 15 0 "[ . 1 . 2 ]" 1
429 1 42 MET HA 1 50 LYS H 0.000 . 3.500 3.399 3.117 3.532 0.032 17 0 "[ . 1 . 2 ]" 1
430 1 50 LYS H 1 51 ASN H 0.000 . 3.500 2.844 2.781 2.936 . 0 0 "[ . 1 . 2 ]" 1
431 1 50 LYS HA 1 53 PHE QD 0.000 . 3.500 2.268 2.014 2.872 . 0 0 "[ . 1 . 2 ]" 1
432 1 50 LYS HA 1 51 ASN H 0.000 . 5.000 3.518 3.499 3.545 . 0 0 "[ . 1 . 2 ]" 1
433 1 50 LYS HB3 1 51 ASN H 0.000 . 3.500 2.829 2.718 2.908 . 0 0 "[ . 1 . 2 ]" 1
434 1 51 ASN H 1 52 GLN H 0.000 . 3.500 2.646 2.604 2.682 . 0 0 "[ . 1 . 2 ]" 1
435 1 49 PRO HD3 1 52 GLN HG2 0.000 . 5.000 5.119 4.813 5.684 0.684 2 1 "[ + . 1 . 2 ]" 1
436 1 49 PRO HD2 1 52 GLN HG2 0.000 . 5.000 3.612 3.318 4.163 . 0 0 "[ . 1 . 2 ]" 1
437 1 49 PRO QG 1 52 GLN H 0.000 . 3.500 3.058 2.922 3.159 . 0 0 "[ . 1 . 2 ]" 1
438 1 50 LYS HA 1 52 GLN H 0.000 . 3.500 3.546 3.527 3.573 0.073 2 0 "[ . 1 . 2 ]" 1
439 1 51 ASN HA 1 52 GLN H 0.000 . 3.500 3.433 3.413 3.449 . 0 0 "[ . 1 . 2 ]" 1
440 1 51 ASN HB3 1 52 GLN H 0.000 . 5.000 3.458 3.144 4.249 . 0 0 "[ . 1 . 2 ]" 1
441 1 51 ASN HB2 1 52 GLN H 0.000 . 5.000 3.835 3.220 4.243 . 0 0 "[ . 1 . 2 ]" 1
442 1 52 GLN HA 1 52 GLN HE21 0.000 . 5.000 3.468 2.557 3.705 . 0 0 "[ . 1 . 2 ]" 1
443 1 52 GLN HE21 1 53 PHE HA 0.000 . 5.000 4.374 4.031 4.565 . 0 0 "[ . 1 . 2 ]" 1
444 1 52 GLN HE22 1 53 PHE HA 0.000 . 5.000 4.993 4.709 5.037 0.037 2 0 "[ . 1 . 2 ]" 1
445 1 52 GLN H 1 53 PHE H 0.000 . 2.700 2.471 2.440 2.499 . 0 0 "[ . 1 . 2 ]" 1
446 1 8 TYR QD 1 53 PHE HB2 0.000 . 3.500 3.532 3.416 3.586 0.086 17 0 "[ . 1 . 2 ]" 1
447 1 8 TYR QD 1 53 PHE HB3 0.000 . 3.500 2.645 2.320 3.050 . 0 0 "[ . 1 . 2 ]" 1
448 1 10 CYS HA 1 53 PHE HA 0.000 . 2.700 2.164 2.019 2.278 . 0 0 "[ . 1 . 2 ]" 1
449 1 34 PHE QE 1 53 PHE HB2 0.000 . 5.000 2.348 2.036 2.676 . 0 0 "[ . 1 . 2 ]" 1
450 1 34 PHE HZ 1 53 PHE HB2 0.000 . 3.500 2.032 1.927 2.427 . 0 0 "[ . 1 . 2 ]" 1
451 1 34 PHE QE 1 53 PHE HB3 0.000 . 5.000 2.616 2.244 3.060 . 0 0 "[ . 1 . 2 ]" 1
452 1 34 PHE HZ 1 53 PHE HB3 0.000 . 3.500 3.229 2.843 3.482 . 0 0 "[ . 1 . 2 ]" 1
453 1 34 PHE QE 1 53 PHE H 0.000 . 5.000 4.198 3.922 4.448 . 0 0 "[ . 1 . 2 ]" 1
454 1 34 PHE HZ 1 53 PHE H 0.000 . 5.000 3.451 3.250 3.791 . 0 0 "[ . 1 . 2 ]" 1
455 1 50 LYS HA 1 53 PHE H 0.000 . 3.500 3.591 3.565 3.629 0.129 11 0 "[ . 1 . 2 ]" 1
456 1 51 ASN HA 1 53 PHE H 0.000 . 3.500 3.584 3.551 3.612 0.112 4 0 "[ . 1 . 2 ]" 1
457 1 52 GLN HA 1 53 PHE H 0.000 . 3.500 3.369 3.317 3.405 . 0 0 "[ . 1 . 2 ]" 1
458 1 52 GLN HB3 1 53 PHE H 0.000 . 5.000 3.682 3.532 3.772 . 0 0 "[ . 1 . 2 ]" 1
459 1 53 PHE H 1 53 PHE HB2 0.000 . 3.500 2.177 2.097 2.280 . 0 0 "[ . 1 . 2 ]" 1
460 1 53 PHE H 1 53 PHE HB3 0.000 . 3.500 3.503 3.452 3.552 0.052 17 0 "[ . 1 . 2 ]" 1
461 1 8 TYR QD 1 54 LYS HA 0.000 . 3.500 3.494 3.279 3.560 0.060 2 0 "[ . 1 . 2 ]" 1
462 1 8 TYR HA 1 54 LYS H 0.000 . 5.000 4.659 4.060 5.012 0.012 10 0 "[ . 1 . 2 ]" 1
463 1 8 TYR QD 1 54 LYS H 0.000 . 5.000 3.897 3.440 4.207 . 0 0 "[ . 1 . 2 ]" 1
464 1 10 CYS HA 1 54 LYS H 0.000 . 3.500 3.350 3.173 3.504 0.004 1 0 "[ . 1 . 2 ]" 1
465 1 53 PHE HA 1 54 LYS H 0.000 . 2.700 2.246 2.200 2.458 . 0 0 "[ . 1 . 2 ]" 1
466 1 53 PHE HB3 1 54 LYS H 0.000 . 3.500 3.279 2.526 3.532 0.032 21 0 "[ . 1 . 2 ]" 1
467 1 8 TYR HA 1 55 SER HA 0.000 . 2.700 1.974 1.889 2.339 . 0 0 "[ . 1 . 2 ]" 1
468 1 8 TYR QB 1 55 SER HA 0.000 . 5.000 3.496 3.361 3.737 . 0 0 "[ . 1 . 2 ]" 1
469 1 8 TYR QD 1 55 SER HA 0.000 . 3.500 3.015 2.883 3.108 . 0 0 "[ . 1 . 2 ]" 1
470 1 8 TYR QE 1 55 SER HA 0.000 . 5.000 3.616 3.393 3.742 . 0 0 "[ . 1 . 2 ]" 1
471 1 8 TYR QE 1 55 SER HB3 0.000 . 3.500 2.947 2.552 3.565 0.065 11 0 "[ . 1 . 2 ]" 1
472 1 8 TYR QE 1 55 SER HB2 0.000 . 3.500 3.305 2.541 3.682 0.182 17 0 "[ . 1 . 2 ]" 1
473 1 8 TYR QD 1 55 SER H 0.000 . 5.000 3.275 2.721 3.645 . 0 0 "[ . 1 . 2 ]" 1
474 1 8 TYR QE 1 55 SER H 0.000 . 3.500 3.209 2.790 3.511 0.011 20 0 "[ . 1 . 2 ]" 1
475 1 54 LYS HA 1 55 SER H 0.000 . 2.700 2.231 2.206 2.254 . 0 0 "[ . 1 . 2 ]" 1
476 1 55 SER HB3 1 56 ILE H 0.000 . 3.500 3.611 3.276 3.677 0.177 5 0 "[ . 1 . 2 ]" 1
477 1 55 SER HB2 1 56 ILE H 0.000 . 3.500 2.633 2.120 3.488 . 0 0 "[ . 1 . 2 ]" 1
478 1 8 TYR HA 1 56 ILE H 0.000 . 3.500 3.529 3.383 3.584 0.084 9 0 "[ . 1 . 2 ]" 1
479 1 8 TYR QD 1 56 ILE H 0.000 . 5.000 4.473 4.149 4.835 . 0 0 "[ . 1 . 2 ]" 1
480 1 9 GLU H 1 56 ILE H 0.000 . 5.000 4.865 4.545 5.043 0.043 6 0 "[ . 1 . 2 ]" 1
481 1 55 SER HA 1 56 ILE H 0.000 . 2.700 2.526 2.341 2.624 . 0 0 "[ . 1 . 2 ]" 1
482 1 56 ILE H 1 57 LYS H 0.000 . 3.500 3.351 2.943 3.538 0.038 4 0 "[ . 1 . 2 ]" 1
483 1 4 ASP HA 1 57 LYS HA 0.000 . 2.700 1.979 1.868 2.339 . 0 0 "[ . 1 . 2 ]" 1
484 1 5 GLU H 1 57 LYS HA 0.000 . 5.000 4.600 3.650 5.134 0.134 12 0 "[ . 1 . 2 ]" 1
485 1 56 ILE HA 1 57 LYS H 0.000 . 2.700 2.412 2.298 2.666 . 0 0 "[ . 1 . 2 ]" 1
486 1 57 LYS H 1 58 LYS H 0.000 . 3.500 3.540 3.465 3.619 0.119 3 0 "[ . 1 . 2 ]" 1
487 1 3 ILE H 1 58 LYS H 0.000 . 3.500 3.443 2.769 3.546 0.046 12 0 "[ . 1 . 2 ]" 1
488 1 4 ASP HB2 1 58 LYS H 0.000 . 5.000 4.401 3.302 5.046 0.046 1 0 "[ . 1 . 2 ]" 1
489 1 57 LYS HA 1 58 LYS H 0.000 . 2.700 2.569 2.484 2.667 . 0 0 "[ . 1 . 2 ]" 1
490 1 2 GLU HA 1 59 VAL HA 0.000 . 3.500 2.256 1.938 2.806 . 0 0 "[ . 1 . 2 ]" 1
491 1 3 ILE H 1 59 VAL HA 0.000 . 3.500 3.312 2.714 3.511 0.011 14 0 "[ . 1 . 2 ]" 1
492 1 58 LYS HA 1 59 VAL H 0.000 . 2.700 2.309 2.202 2.593 . 0 0 "[ . 1 . 2 ]" 1
493 1 59 VAL HA 1 60 ILE H 0.000 . 2.700 2.320 2.207 2.585 . 0 0 "[ . 1 . 2 ]" 1
494 1 2 GLU HA 1 60 ILE H 0.000 . 3.500 3.101 2.464 3.516 0.016 1 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 36
_Distance_constraint_stats_list.Viol_count 85
_Distance_constraint_stats_list.Viol_total 49.182
_Distance_constraint_stats_list.Viol_max 0.073
_Distance_constraint_stats_list.Viol_rms 0.0112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0276
_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 8 TYR 0.885 0.066 10 0 "[ . 1 . 2 ]"
1 9 GLU 0.120 0.034 19 0 "[ . 1 . 2 ]"
1 10 CYS 0.228 0.034 4 0 "[ . 1 . 2 ]"
1 11 GLU 1.073 0.073 12 0 "[ . 1 . 2 ]"
1 12 ALA 0.164 0.034 4 0 "[ . 1 . 2 ]"
1 13 CYS 0.029 0.010 6 0 "[ . 1 . 2 ]"
1 14 GLY 0.004 0.004 8 0 "[ . 1 . 2 ]"
1 15 TYR 0.031 0.023 21 0 "[ . 1 . 2 ]"
1 17 TYR 0.885 0.066 10 0 "[ . 1 . 2 ]"
1 33 PRO 0.018 0.009 15 0 "[ . 1 . 2 ]"
1 34 PHE 0.018 0.009 15 0 "[ . 1 . 2 ]"
1 36 ASP 0.018 0.009 15 0 "[ . 1 . 2 ]"
1 37 LEU 0.018 0.009 15 0 "[ . 1 . 2 ]"
1 43 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 GLN 1.073 0.073 12 0 "[ . 1 . 2 ]"
1 53 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 LYS 0.120 0.034 19 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 8 TYR H 1 17 TYR O 1.700 . 2.300 2.339 2.314 2.366 0.066 10 0 "[ . 1 . 2 ]" 2
2 1 8 TYR N 1 17 TYR O 2.400 2.400 3.300 3.241 3.135 3.305 0.005 7 0 "[ . 1 . 2 ]" 2
3 1 9 GLU H 1 54 LYS O 1.700 . 2.300 1.763 1.666 1.952 0.034 19 0 "[ . 1 . 2 ]" 2
4 1 9 GLU N 1 54 LYS O 2.400 2.400 3.300 2.703 2.510 2.917 . 0 0 "[ . 1 . 2 ]" 2
5 1 10 CYS H 1 15 TYR O 1.700 . 2.300 1.800 1.677 1.947 0.023 21 0 "[ . 1 . 2 ]" 2
6 1 10 CYS N 1 15 TYR O 2.400 2.400 3.300 2.735 2.613 2.843 . 0 0 "[ . 1 . 2 ]" 2
7 1 11 GLU H 1 52 GLN O 1.700 . 2.300 2.349 2.312 2.373 0.073 12 0 "[ . 1 . 2 ]" 2
8 1 11 GLU N 1 52 GLN O 2.400 2.400 3.300 3.267 3.189 3.318 0.018 21 0 "[ . 1 . 2 ]" 2
9 1 10 CYS SG 1 12 ALA H 1.700 . 3.000 2.988 2.897 3.034 0.034 4 0 "[ . 1 . 2 ]" 2
10 1 10 CYS SG 1 12 ALA N 2.400 2.400 4.000 3.818 3.730 3.869 . 0 0 "[ . 1 . 2 ]" 2
11 1 10 CYS SG 1 13 CYS H 1.700 . 3.000 2.975 2.920 3.010 0.010 6 0 "[ . 1 . 2 ]" 2
12 1 10 CYS SG 1 13 CYS N 2.400 2.400 4.000 3.867 3.801 3.904 . 0 0 "[ . 1 . 2 ]" 2
13 1 10 CYS O 1 14 GLY H 1.700 . 2.300 2.189 2.064 2.304 0.004 8 0 "[ . 1 . 2 ]" 2
14 1 10 CYS O 1 14 GLY N 2.400 2.400 3.300 2.824 2.746 2.898 . 0 0 "[ . 1 . 2 ]" 2
15 1 13 CYS SG 1 15 TYR H 1.700 . 3.000 2.576 2.568 2.584 . 0 0 "[ . 1 . 2 ]" 2
16 1 13 CYS SG 1 15 TYR N 2.400 2.400 4.000 3.267 3.246 3.296 . 0 0 "[ . 1 . 2 ]" 2
17 1 8 TYR O 1 17 TYR H 1.700 . 2.300 1.776 1.675 1.965 0.025 17 0 "[ . 1 . 2 ]" 2
18 1 8 TYR O 1 17 TYR N 2.400 2.400 3.300 2.678 2.579 2.818 . 0 0 "[ . 1 . 2 ]" 2
19 1 33 PRO O 1 36 ASP H 1.700 . 2.300 1.813 1.691 2.149 0.009 15 0 "[ . 1 . 2 ]" 2
20 1 33 PRO O 1 36 ASP N 2.400 2.400 3.300 2.746 2.628 3.077 . 0 0 "[ . 1 . 2 ]" 2
21 1 34 PHE O 1 37 LEU H 1.700 . 2.300 2.187 1.979 2.309 0.009 15 0 "[ . 1 . 2 ]" 2
22 1 34 PHE O 1 37 LEU N 2.400 2.400 3.300 3.125 2.937 3.249 . 0 0 "[ . 1 . 2 ]" 2
23 1 43 CYS H 1 48 SER O 1.700 . 2.300 1.858 1.752 1.991 . 0 0 "[ . 1 . 2 ]" 2
24 1 43 CYS N 1 48 SER O 2.400 2.400 3.300 2.761 2.663 2.891 . 0 0 "[ . 1 . 2 ]" 2
25 1 43 CYS SG 1 45 ALA H 1.700 . 3.000 2.662 2.592 2.891 . 0 0 "[ . 1 . 2 ]" 2
26 1 43 CYS SG 1 45 ALA N 2.400 2.400 4.000 3.593 3.514 3.832 . 0 0 "[ . 1 . 2 ]" 2
27 1 43 CYS SG 1 46 CYS H 1.700 . 3.000 2.646 2.595 2.752 . 0 0 "[ . 1 . 2 ]" 2
28 1 43 CYS SG 1 46 CYS N 2.400 2.400 4.000 3.582 3.527 3.717 . 0 0 "[ . 1 . 2 ]" 2
29 1 43 CYS O 1 47 ARG H 1.700 . 2.300 2.097 1.907 2.277 . 0 0 "[ . 1 . 2 ]" 2
30 1 43 CYS O 1 47 ARG N 2.400 2.400 3.300 2.802 2.633 2.961 . 0 0 "[ . 1 . 2 ]" 2
31 1 46 CYS SG 1 48 SER H 1.700 . 3.000 2.615 2.585 2.718 . 0 0 "[ . 1 . 2 ]" 2
32 1 46 CYS SG 1 48 SER N 2.400 2.400 4.000 3.387 3.330 3.455 . 0 0 "[ . 1 . 2 ]" 2
33 1 50 LYS O 1 53 PHE H 1.700 . 2.300 1.950 1.859 2.061 . 0 0 "[ . 1 . 2 ]" 2
34 1 50 LYS O 1 53 PHE N 2.400 2.400 3.300 2.910 2.811 3.026 . 0 0 "[ . 1 . 2 ]" 2
35 1 9 GLU O 1 54 LYS H 1.700 . 2.300 1.921 1.699 2.247 0.001 21 0 "[ . 1 . 2 ]" 2
36 1 9 GLU O 1 54 LYS N 2.400 2.400 3.300 2.852 2.636 3.098 . 0 0 "[ . 1 . 2 ]" 2
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