NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
380227 |
1ico   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ico
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 385
_Distance_constraint_stats_list.Viol_count 843
_Distance_constraint_stats_list.Viol_total 3812.673
_Distance_constraint_stats_list.Viol_max 0.398
_Distance_constraint_stats_list.Viol_rms 0.0290
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.1077
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 SER 0.035 0.035 23 0 "[ . 1 . 2 . 3 . 4 ]"
1 2 LYS 0.340 0.033 26 0 "[ . 1 . 2 . 3 . 4 ]"
1 3 TYR 2.044 0.094 10 0 "[ . 1 . 2 . 3 . 4 ]"
1 4 GLU 7.306 0.275 13 0 "[ . 1 . 2 . 3 . 4 ]"
1 5 TYR 4.339 0.126 23 0 "[ . 1 . 2 . 3 . 4 ]"
1 6 THR 4.989 0.270 20 0 "[ . 1 . 2 . 3 . 4 ]"
1 7 ILE 1.772 0.090 40 0 "[ . 1 . 2 . 3 . 4 ]"
1 8 DPR 4.010 0.130 3 0 "[ . 1 . 2 . 3 . 4 ]"
1 9 SER 0.192 0.015 20 0 "[ . 1 . 2 . 3 . 4 ]"
1 10 TYR 5.974 0.130 3 0 "[ . 1 . 2 . 3 . 4 ]"
1 11 THR 8.435 0.193 3 0 "[ . 1 . 2 . 3 . 4 ]"
1 12 PHE 4.339 0.126 23 0 "[ . 1 . 2 . 3 . 4 ]"
1 13 ARG 4.188 0.160 17 0 "[ . 1 . 2 . 3 . 4 ]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 16 GLY 4.792 0.253 19 0 "[ . 1 . 2 . 3 . 4 ]"
1 17 CYS 4.714 0.253 19 0 "[ . 1 . 2 . 3 . 4 ]"
1 18 PRO 0.249 0.037 26 0 "[ . 1 . 2 . 3 . 4 ]"
1 19 THR 10.770 0.283 41 0 "[ . 1 . 2 . 3 . 4 ]"
1 20 VAL 4.186 0.168 10 0 "[ . 1 . 2 . 3 . 4 ]"
1 21 LYS 0.369 0.055 8 0 "[ . 1 . 2 . 3 . 4 ]"
1 22 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 23 DAL 2.329 0.212 12 0 "[ . 1 . 2 . 3 . 4 ]"
1 24 VAL 5.428 0.212 12 0 "[ . 1 . 2 . 3 . 4 ]"
1 25 THR 24.961 0.398 28 0 "[ . 1 . 2 . 3 . 4 ]"
1 26 ILE 22.088 0.398 28 0 "[ . 1 . 2 . 3 . 4 ]"
1 27 ARG 8.825 0.319 23 0 "[ . 1 . 2 . 3 . 4 ]"
1 28 CYS 15.775 0.319 23 0 "[ . 1 . 2 . 3 . 4 ]"
1 29 GLU 0.227 0.033 26 0 "[ . 1 . 2 . 3 . 4 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 2 LYS H 2.500 . 2.500 2.155 2.152 2.163 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
2 1 1 SER QB 1 2 LYS H 4.225 . 4.225 3.266 3.161 3.816 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
3 1 1 SER QB 1 16 GLY H 5.000 . 6.000 4.254 2.619 5.264 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
4 1 1 SER QB 1 17 CYS H 5.000 . 6.000 4.001 1.765 5.118 0.035 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
5 1 1 SER QB 1 17 CYS QB 5.935 . 5.935 3.581 2.741 4.623 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
6 1 2 LYS H 1 2 LYS QB 3.500 . 4.500 3.238 2.565 3.404 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
7 1 2 LYS H 1 2 LYS QG 3.500 . 4.500 2.922 2.722 3.513 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
8 1 2 LYS H 1 3 TYR H 5.000 . 5.000 4.327 4.153 4.543 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
9 1 2 LYS H 1 29 GLU HA 5.000 . 5.000 4.913 4.531 5.033 0.033 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
10 1 2 LYS HA 1 2 LYS QB 2.500 . 3.500 2.182 2.101 2.437 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
11 1 2 LYS HA 1 3 TYR H 2.500 . 2.500 2.162 2.120 2.237 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
12 1 2 LYS HA 1 3 TYR QD 5.000 . 7.000 3.625 3.391 4.238 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
13 1 2 LYS HA 1 16 GLY H 3.500 . 3.500 3.362 2.961 3.526 0.026 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
14 1 2 LYS QB 1 2 LYS QD 2.500 . 4.500 2.299 2.200 2.405 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
15 1 2 LYS QB 1 3 TYR H 2.500 . 3.500 2.984 2.742 3.069 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
16 1 2 LYS QD 1 3 TYR H 5.000 . 6.000 5.202 3.728 5.440 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
17 1 2 LYS QD 1 29 GLU QB 3.500 . 5.500 3.835 2.527 4.295 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
18 1 2 LYS QG 1 3 TYR H 5.000 . 6.000 4.214 3.975 4.570 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
19 1 2 LYS QG 1 29 GLU QB 5.231 . 5.231 2.789 2.065 4.141 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
20 1 3 TYR H 1 3 TYR QB 3.390 . 3.390 2.826 2.706 3.009 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
21 1 3 TYR H 1 3 TYR QD 3.500 . 5.500 2.082 1.879 2.855 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
22 1 3 TYR H 1 3 TYR QE 5.000 . 7.000 4.192 4.067 4.451 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
23 1 3 TYR H 1 4 GLU H 5.000 . 5.000 4.535 4.456 4.661 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
24 1 3 TYR H 1 13 ARG HA 5.000 . 5.000 5.048 4.977 5.094 0.094 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
25 1 3 TYR H 1 14 GLY H 5.000 . 5.000 3.436 3.339 3.531 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
26 1 3 TYR H 1 16 GLY H 5.000 . 5.000 4.206 4.084 4.368 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
27 1 3 TYR H 1 28 CYS HA 5.000 . 5.000 4.441 4.067 4.771 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
28 1 3 TYR HA 1 4 GLU H 2.500 . 2.500 2.155 2.117 2.226 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
29 1 3 TYR HA 1 28 CYS HA 3.500 . 3.500 2.408 2.185 2.680 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
30 1 3 TYR HA 1 29 GLU H 5.000 . 5.000 3.824 2.961 4.244 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
31 1 3 TYR QB 1 4 GLU H 4.227 . 4.227 3.084 2.818 3.374 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
32 1 3 TYR QB 1 17 CYS HA 3.500 . 4.500 2.211 2.112 2.476 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
33 1 3 TYR QB 1 18 PRO QD 3.500 . 5.500 2.868 2.335 3.669 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
34 1 3 TYR QB 1 26 ILE MD 4.834 . 4.834 2.120 2.068 2.182 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
35 1 3 TYR QB 1 26 ILE QG 3.500 . 5.500 2.132 2.045 2.200 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
36 1 3 TYR QB 1 26 ILE MG 3.500 . 5.500 4.084 4.033 4.156 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
37 1 3 TYR QB 1 27 ARG H 5.000 . 6.000 3.701 3.429 3.929 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
38 1 3 TYR QB 1 28 CYS HA 4.924 . 4.924 3.736 3.377 4.030 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
39 1 3 TYR QD 1 4 GLU H 3.500 . 5.500 4.436 3.908 4.730 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
40 1 3 TYR QD 1 4 GLU HA 3.500 . 5.500 4.471 3.519 4.857 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
41 1 3 TYR QD 1 4 GLU QB 5.000 . 8.000 5.492 4.976 5.671 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
42 1 3 TYR QD 1 4 GLU QG 5.000 . 8.000 6.272 5.504 6.550 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
43 1 3 TYR QD 1 5 TYR H 3.500 . 5.500 3.555 2.682 4.018 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
44 1 3 TYR QD 1 5 TYR QE 5.000 . 9.000 4.457 4.021 4.639 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
45 1 3 TYR QD 1 7 ILE MD 5.000 . 8.000 5.099 4.864 5.184 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
46 1 3 TYR QD 1 12 PHE QB 5.000 . 8.000 4.758 4.181 5.020 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
47 1 3 TYR QD 1 13 ARG HA 5.000 . 7.000 4.557 3.472 4.876 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
48 1 3 TYR QD 1 14 GLY QA 5.000 . 8.000 4.082 3.797 4.624 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
49 1 3 TYR QD 1 15 PRO QD 5.000 . 8.000 4.612 4.249 5.447 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
50 1 3 TYR QD 1 16 GLY H 5.000 . 7.000 3.991 3.789 4.146 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
51 1 3 TYR QD 1 16 GLY QA 5.000 . 8.000 4.021 3.831 4.190 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
52 1 3 TYR QD 1 17 CYS HA 3.500 . 5.500 3.748 2.265 4.355 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
53 1 3 TYR QD 1 18 PRO QD 4.940 . 4.940 3.290 2.707 3.862 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
54 1 3 TYR QD 1 18 PRO QG 5.000 . 8.000 4.161 3.270 5.250 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
55 1 3 TYR QD 1 26 ILE HB 5.000 . 7.000 5.162 4.856 5.768 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
56 1 3 TYR QD 1 26 ILE MD 3.500 . 6.500 2.363 2.115 3.236 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
57 1 3 TYR QD 1 26 ILE QG 6.234 . 6.234 3.105 2.874 3.501 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
58 1 3 TYR QD 1 26 ILE MG 5.000 . 8.000 5.285 5.075 5.747 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
59 1 3 TYR QE 1 4 GLU HA 5.000 . 7.000 5.584 4.997 5.851 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
60 1 3 TYR QE 1 5 TYR QE 3.500 . 7.500 2.996 2.636 3.162 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
61 1 3 TYR QE 1 12 PHE QB 6.234 . 6.234 3.849 3.054 4.151 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
62 1 3 TYR QE 1 12 PHE QD 5.000 . 9.000 5.580 5.032 5.926 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
63 1 3 TYR QE 1 13 ARG H 5.000 . 7.000 5.961 4.845 6.396 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
64 1 3 TYR QE 1 13 ARG HA 3.500 . 5.500 4.974 4.009 5.251 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
65 1 3 TYR QE 1 14 GLY QA 3.500 . 6.500 3.262 2.854 3.980 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
66 1 3 TYR QE 1 15 PRO QD 5.000 . 8.000 3.526 3.055 4.721 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
67 1 3 TYR QE 1 18 PRO QD 6.939 . 6.939 4.031 2.886 4.470 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
68 1 3 TYR QE 1 18 PRO QG 3.500 . 6.500 4.286 3.464 5.268 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
69 1 3 TYR QE 1 26 ILE MD 5.000 . 8.000 3.953 3.688 4.470 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
70 1 4 GLU H 1 4 GLU QB 3.500 . 4.500 2.589 2.507 2.727 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
71 1 4 GLU H 1 5 TYR H 5.000 . 5.000 4.033 3.907 4.094 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
72 1 4 GLU H 1 26 ILE MD 5.000 . 6.000 4.539 4.357 4.708 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
73 1 4 GLU H 1 26 ILE QG 5.000 . 6.000 3.107 3.003 3.215 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
74 1 4 GLU H 1 26 ILE MG 5.000 . 6.000 5.010 4.947 5.082 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
75 1 4 GLU H 1 27 ARG H 2.500 . 2.500 2.381 2.037 2.580 0.080 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
76 1 4 GLU H 1 27 ARG QB 4.226 . 4.226 3.163 2.476 3.353 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
77 1 4 GLU H 1 27 ARG QD 5.000 . 6.000 5.233 4.629 5.425 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
78 1 4 GLU H 1 27 ARG QG 4.921 . 4.921 4.423 4.331 4.604 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
79 1 4 GLU H 1 28 CYS HA 3.500 . 3.500 3.670 3.579 3.775 0.275 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
80 1 4 GLU HA 1 4 GLU QG 3.500 . 4.500 2.842 2.566 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
81 1 4 GLU HA 1 5 TYR H 2.500 . 2.500 2.158 2.121 2.188 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
82 1 4 GLU HA 1 13 ARG HA 3.500 . 3.500 2.192 2.134 2.256 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
83 1 4 GLU HA 1 13 ARG QB 5.000 . 6.000 3.173 2.657 3.605 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
84 1 4 GLU HA 1 13 ARG QG 5.000 . 6.000 2.738 2.214 3.260 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
85 1 4 GLU QB 1 5 TYR H 3.500 . 4.500 3.997 3.942 4.033 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
86 1 4 GLU QB 1 5 TYR HA 5.000 . 6.000 5.222 5.042 5.285 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
87 1 4 GLU QB 1 11 THR MG 3.500 . 5.500 3.677 3.540 3.915 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
88 1 4 GLU QB 1 13 ARG HA 3.500 . 4.500 3.206 2.763 3.548 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
89 1 4 GLU QB 1 13 ARG QB 3.935 . 3.935 2.505 2.272 2.591 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
90 1 4 GLU QB 1 13 ARG QD 5.000 . 7.000 3.352 2.359 4.894 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
91 1 4 GLU QB 1 13 ARG HE 5.000 . 6.000 3.750 1.894 5.273 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
92 1 4 GLU QB 1 13 ARG QG 3.933 . 3.933 2.344 2.184 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
93 1 4 GLU QB 1 27 ARG H 5.000 . 6.000 3.984 3.605 4.367 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
94 1 4 GLU QB 1 27 ARG QD 3.500 . 5.500 3.630 3.339 3.950 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
95 1 4 GLU QG 1 5 TYR H 3.500 . 4.500 3.790 3.590 3.931 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
96 1 4 GLU QG 1 5 TYR HA 5.000 . 6.000 4.382 4.216 4.778 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
97 1 4 GLU QG 1 11 THR MG 2.500 . 4.500 2.105 2.012 2.376 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
98 1 4 GLU QG 1 13 ARG HA 5.000 . 6.000 4.234 3.723 4.513 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
99 1 4 GLU QG 1 13 ARG QB 3.500 . 5.500 3.829 2.960 4.043 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
100 1 4 GLU QG 1 13 ARG QD 5.000 . 7.000 3.391 2.126 4.179 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
101 1 4 GLU QG 1 13 ARG HE 5.000 . 6.000 3.481 2.136 5.036 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
102 1 4 GLU QG 1 13 ARG QG 4.412 . 4.412 2.181 2.069 2.226 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
103 1 4 GLU QG 1 27 ARG H 5.000 . 6.000 4.481 4.193 5.232 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
104 1 4 GLU QG 1 27 ARG QD 5.000 . 7.000 3.706 2.235 4.405 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
105 1 5 TYR H 1 5 TYR QB 3.500 . 4.500 2.986 2.899 3.251 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
106 1 5 TYR H 1 5 TYR QD 3.500 . 5.500 2.456 2.154 2.569 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
107 1 5 TYR H 1 12 PHE H 3.500 . 3.500 3.603 3.570 3.626 0.126 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
108 1 5 TYR H 1 12 PHE QB 5.000 . 6.000 3.462 3.233 3.668 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
109 1 5 TYR H 1 12 PHE QD 5.000 . 7.000 5.313 5.115 5.506 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
110 1 5 TYR H 1 13 ARG HA 5.000 . 5.000 3.404 3.131 3.826 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
111 1 5 TYR HA 1 5 TYR QB 2.344 . 2.344 2.108 2.093 2.118 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
112 1 5 TYR HA 1 5 TYR QD 3.500 . 5.500 3.879 3.832 3.888 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
113 1 5 TYR HA 1 6 THR H 3.500 . 3.500 1.919 1.868 1.948 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
114 1 5 TYR HA 1 6 THR MG 5.000 . 6.000 5.212 5.175 5.243 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
115 1 5 TYR HA 1 24 VAL QG 3.500 . 5.900 3.389 3.124 3.744 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
116 1 5 TYR HA 1 27 ARG H 5.000 . 5.000 3.850 3.596 4.033 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
117 1 5 TYR QB 1 20 VAL QG 5.937 . 9.337 2.392 2.140 2.741 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
118 1 5 TYR QB 1 24 VAL QG 4.991 . 4.991 2.300 2.092 2.410 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
119 1 5 TYR QB 1 26 ILE HA 3.390 . 3.390 2.839 2.200 3.068 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
120 1 5 TYR QB 1 26 ILE HB 3.500 . 4.500 2.968 2.490 3.142 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
121 1 5 TYR QB 1 26 ILE MD 4.415 . 4.415 2.063 2.022 2.153 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
122 1 5 TYR QB 1 26 ILE QG 3.730 . 3.730 2.105 2.071 2.166 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
123 1 5 TYR QB 1 26 ILE MG 5.937 . 5.937 4.166 3.904 4.251 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
124 1 5 TYR QB 1 27 ARG H 5.000 . 6.000 4.006 3.748 4.187 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
125 1 5 TYR QD 1 7 ILE H 5.000 . 7.000 5.874 5.765 5.934 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
126 1 5 TYR QD 1 7 ILE HA 5.000 . 7.000 6.339 6.110 6.500 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
127 1 5 TYR QD 1 7 ILE HB 5.000 . 7.000 5.941 5.770 6.483 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
128 1 5 TYR QD 1 7 ILE MD 3.500 . 6.500 2.753 2.681 2.801 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
129 1 5 TYR QD 1 7 ILE QG 5.430 . 5.430 3.874 3.692 4.258 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
130 1 5 TYR QD 1 7 ILE MG 5.000 . 8.000 5.571 5.366 5.675 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
131 1 5 TYR QD 1 12 PHE H 5.000 . 7.000 3.963 3.809 4.152 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
132 1 5 TYR QD 1 12 PHE QB 5.000 . 8.000 2.165 2.118 2.218 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
133 1 5 TYR QD 1 12 PHE QD 3.500 . 7.500 4.197 3.985 4.318 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
134 1 5 TYR QD 1 12 PHE QE 5.000 . 9.000 5.850 5.621 6.029 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
135 1 5 TYR QD 1 20 VAL QG 7.118 . 7.118 2.068 1.940 2.160 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
136 1 5 TYR QD 1 24 VAL HB 5.000 . 7.000 4.385 4.160 4.612 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
137 1 5 TYR QD 1 24 VAL QG 7.118 . 7.118 2.107 2.049 2.146 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
138 1 5 TYR QD 1 26 ILE HA 5.000 . 7.000 4.957 4.431 5.182 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
139 1 5 TYR QD 1 26 ILE HB 5.000 . 7.000 4.346 3.628 4.662 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
140 1 5 TYR QD 1 26 ILE MD 2.500 . 5.500 2.944 2.493 3.226 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
141 1 5 TYR QD 1 26 ILE QG 6.234 . 6.234 4.211 3.836 4.280 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
142 1 5 TYR QD 1 26 ILE MG 5.000 . 8.000 5.415 4.850 5.651 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
143 1 5 TYR QD 1 27 ARG H 5.000 . 7.000 6.037 5.573 6.187 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
144 1 5 TYR QE 1 7 ILE MD 3.500 . 6.500 2.736 2.704 2.776 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
145 1 5 TYR QE 1 7 ILE QG 6.945 . 6.945 3.476 3.278 3.830 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
146 1 5 TYR QE 1 7 ILE MG 3.500 . 6.500 4.948 4.855 5.041 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
147 1 5 TYR QE 1 12 PHE QB 6.946 . 6.946 2.133 2.087 2.194 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
148 1 5 TYR QE 1 12 PHE QD 3.500 . 7.500 3.507 2.936 3.657 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
149 1 5 TYR QE 1 12 PHE QE 5.000 . 9.000 4.733 4.228 4.983 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
150 1 5 TYR QE 1 20 VAL QG 3.500 . 7.900 3.444 2.478 3.679 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
151 1 5 TYR QE 1 24 VAL QG 7.845 . 7.845 3.119 2.870 3.324 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
152 1 5 TYR QE 1 26 ILE MD 3.500 . 6.500 4.548 3.910 4.733 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
153 1 6 THR H 1 6 THR HB 3.500 . 3.500 2.812 2.738 2.894 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
154 1 6 THR H 1 7 ILE MD 3.500 . 4.500 3.542 3.435 3.611 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
155 1 6 THR H 1 24 VAL QG 5.000 . 7.400 3.097 2.814 3.495 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
156 1 6 THR H 1 26 ILE HA 3.500 . 3.500 3.619 3.567 3.770 0.270 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
157 1 6 THR HA 1 6 THR MG 3.500 . 4.500 2.343 2.315 2.362 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
158 1 6 THR HA 1 7 ILE H 2.500 . 2.500 2.157 2.125 2.193 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
159 1 6 THR HA 1 11 THR HA 3.500 . 3.500 2.414 2.255 2.564 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
160 1 6 THR HA 1 11 THR MG 5.000 . 6.000 3.836 3.609 4.066 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
161 1 6 THR HA 1 12 PHE H 3.500 . 3.500 2.648 2.545 2.754 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
162 1 6 THR HA 1 12 PHE QD 3.500 . 5.500 3.472 3.347 3.647 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
163 1 6 THR HA 1 12 PHE QE 5.000 . 7.000 5.263 5.095 5.423 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
164 1 6 THR MG 1 7 ILE H 3.500 . 4.500 2.783 2.676 2.913 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
165 1 6 THR MG 1 8 DPR HD2 3.500 . 5.500 3.661 3.566 3.716 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
166 1 6 THR MG 1 10 TYR H 5.000 . 6.000 3.902 3.657 4.226 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
167 1 6 THR MG 1 11 THR H 5.000 . 6.000 3.890 3.692 3.994 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
168 1 6 THR MG 1 11 THR HA 3.500 . 4.500 2.095 2.042 2.152 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
169 1 6 THR MG 1 11 THR HB 5.000 . 6.000 4.074 3.915 4.239 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
170 1 6 THR MG 1 11 THR MG 2.500 . 4.500 2.624 2.209 2.720 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
171 1 6 THR MG 1 12 PHE H 3.500 . 4.500 3.710 3.670 3.758 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
172 1 7 ILE H 1 7 ILE HB 3.500 . 3.500 2.867 2.805 3.041 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
173 1 7 ILE H 1 7 ILE MD 5.000 . 6.000 2.647 2.477 3.372 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
174 1 7 ILE H 1 7 ILE QG 4.226 . 4.226 3.663 2.485 3.828 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
175 1 7 ILE H 1 8 DPR HD2 5.000 . 6.000 3.912 3.776 3.978 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
176 1 7 ILE H 1 10 TYR H 3.500 . 3.500 3.542 3.513 3.590 0.090 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
177 1 7 ILE H 1 10 TYR QB 4.924 . 4.924 3.587 3.042 3.756 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
178 1 7 ILE H 1 10 TYR QD 5.000 . 7.000 5.243 4.871 5.641 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
179 1 7 ILE H 1 12 PHE H 5.000 . 5.000 4.016 3.889 4.133 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
180 1 7 ILE H 1 12 PHE QD 5.000 . 7.000 3.099 2.972 3.233 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
181 1 7 ILE H 1 12 PHE QE 5.000 . 7.000 3.938 3.814 4.066 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
182 1 7 ILE HA 1 7 ILE QG 3.389 . 3.389 2.681 2.561 3.304 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
183 1 7 ILE HA 1 7 ILE MG 2.500 . 3.500 2.458 2.367 2.488 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
184 1 7 ILE HA 1 8 DPR HD2 2.324 . 2.324 2.183 2.153 2.254 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
185 1 7 ILE HA 1 24 VAL QG 5.792 . 5.792 2.614 2.196 3.093 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
186 1 7 ILE HB 1 7 ILE MD 3.500 . 4.500 2.615 2.493 3.404 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
187 1 7 ILE HB 1 10 TYR H 5.000 . 5.000 4.513 4.069 4.601 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
188 1 7 ILE HB 1 10 TYR QB 4.227 . 4.227 3.525 2.846 3.633 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
189 1 7 ILE HB 1 10 TYR QD 5.000 . 7.000 5.189 4.363 5.549 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
190 1 7 ILE HB 1 12 PHE QD 5.000 . 7.000 3.078 2.824 3.724 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
191 1 7 ILE HB 1 12 PHE QE 3.500 . 5.500 2.350 2.223 2.633 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
192 1 7 ILE HB 1 12 PHE HZ 5.000 . 5.000 4.536 4.088 4.619 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
193 1 7 ILE MD 1 8 DPR HD2 5.000 . 7.000 4.789 4.237 4.876 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
194 1 7 ILE MD 1 10 TYR QD 5.000 . 8.000 5.171 4.721 6.093 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
195 1 7 ILE MD 1 12 PHE QD 5.000 . 8.000 2.230 2.062 3.657 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
196 1 7 ILE MD 1 12 PHE QE 3.500 . 6.500 3.305 3.067 4.165 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
197 1 7 ILE MD 1 12 PHE HZ 5.000 . 6.000 4.785 4.563 5.075 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
198 1 7 ILE MD 1 24 VAL QG 4.218 . 4.218 2.283 1.858 2.447 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
199 1 7 ILE QG 1 12 PHE QD 6.945 . 6.945 3.775 2.217 4.062 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
200 1 7 ILE QG 1 12 PHE QE 6.234 . 6.234 3.924 2.438 4.243 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
201 1 7 ILE QG 1 24 VAL QG 4.990 . 4.990 2.026 1.842 3.367 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
202 1 7 ILE MG 1 8 DPR HA 5.000 . 6.000 3.829 3.783 4.132 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
203 1 7 ILE MG 1 8 DPR HB2 5.000 . 7.000 4.229 4.123 4.548 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
204 1 7 ILE MG 1 8 DPR HD2 4.824 . 4.824 3.297 3.261 3.363 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
205 1 7 ILE MG 1 8 DPR HG2 5.000 . 7.000 4.733 4.647 4.942 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
206 1 7 ILE MG 1 10 TYR H 5.000 . 6.000 4.953 4.939 5.000 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
207 1 7 ILE MG 1 10 TYR QD 5.000 . 8.000 5.802 4.984 5.979 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
208 1 7 ILE MG 1 12 PHE QD 5.000 . 8.000 4.541 4.360 4.795 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
209 1 7 ILE MG 1 12 PHE QE 3.500 . 6.500 3.593 3.430 3.783 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
210 1 7 ILE MG 1 12 PHE HZ 5.000 . 6.000 4.855 4.273 4.928 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
211 1 7 ILE MG 1 24 VAL QG 4.774 . 4.774 2.512 2.180 2.680 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
212 1 8 DPR HA 1 8 DPR HB2 2.891 . 2.891 2.183 2.180 2.189 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
213 1 8 DPR HA 1 8 DPR HD2 5.000 . 6.000 3.499 3.451 3.528 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
214 1 8 DPR HA 1 8 DPR HG2 4.211 . 4.211 3.605 3.594 3.610 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
215 1 8 DPR HA 1 9 SER H 2.500 . 2.500 2.171 2.101 2.219 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
216 1 8 DPR HA 1 10 TYR H 3.500 . 3.500 3.595 3.583 3.630 0.130 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
217 1 8 DPR HB2 1 8 DPR HD2 4.211 . 6.211 2.881 2.844 2.903 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
218 1 8 DPR HB2 1 8 DPR HG2 2.500 . 4.500 2.036 2.034 2.039 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
219 1 8 DPR HB2 1 9 SER H 5.000 . 6.000 3.705 3.510 3.872 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
220 1 8 DPR HD2 1 8 DPR HG2 3.310 . 3.310 2.025 2.022 2.036 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
221 1 9 SER H 1 9 SER QB 2.500 . 3.500 2.689 2.358 3.143 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
222 1 9 SER H 1 10 TYR H 2.500 . 2.500 2.141 1.786 2.515 0.015 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
223 1 9 SER H 1 10 TYR QD 3.500 . 5.500 4.763 3.996 5.257 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
224 1 9 SER HA 1 9 SER QB 2.500 . 3.500 2.357 2.193 2.410 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
225 1 9 SER HA 1 10 TYR H 3.500 . 3.500 3.359 3.240 3.512 0.012 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
226 1 9 SER QB 1 10 TYR H 5.000 . 6.000 3.614 3.245 4.001 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
227 1 9 SER QB 1 10 TYR QD 5.000 . 8.000 4.400 3.206 5.633 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
228 1 10 TYR H 1 10 TYR QB 2.914 . 2.914 2.367 2.191 2.420 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
229 1 10 TYR H 1 10 TYR QD 3.500 . 5.500 3.984 3.277 4.367 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
230 1 10 TYR H 1 11 THR H 5.000 . 5.000 4.535 4.415 4.681 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
231 1 10 TYR HA 1 10 TYR QD 3.500 . 5.500 3.025 2.587 3.096 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
232 1 10 TYR HA 1 10 TYR QE 5.000 . 7.000 4.566 4.519 4.804 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
233 1 10 TYR HA 1 11 THR H 2.500 . 2.500 2.194 2.147 2.269 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
234 1 10 TYR HA 1 11 THR HB 5.000 . 5.000 4.809 4.707 4.919 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
235 1 10 TYR QB 1 11 THR H 4.227 . 4.227 3.651 3.202 3.918 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
236 1 10 TYR QB 1 12 PHE QD 6.946 . 6.946 3.062 2.293 3.659 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
237 1 10 TYR QB 1 12 PHE QE 5.431 . 5.431 2.313 2.170 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
238 1 10 TYR QB 1 12 PHE HZ 4.924 . 4.924 3.640 3.456 4.261 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
239 1 10 TYR QD 1 11 THR H 5.000 . 7.000 3.532 2.535 3.632 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
240 1 10 TYR QD 1 12 PHE QD 3.500 . 7.500 3.421 2.787 4.230 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
241 1 10 TYR QD 1 12 PHE QE 3.500 . 7.500 3.317 2.873 3.886 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
242 1 10 TYR QD 1 12 PHE HZ 3.500 . 5.500 3.816 3.370 4.435 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
243 1 10 TYR QE 1 12 PHE HA 5.000 . 7.000 4.726 4.059 5.847 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
244 1 10 TYR QE 1 12 PHE QD 5.000 . 9.000 4.300 3.665 5.352 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
245 1 10 TYR QE 1 12 PHE QE 5.000 . 9.000 3.960 3.457 4.733 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
246 1 11 THR H 1 11 THR HB 2.500 . 2.500 2.650 2.610 2.693 0.193 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
247 1 11 THR H 1 12 PHE H 5.000 . 5.000 4.250 4.076 4.415 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
248 1 11 THR HA 1 11 THR MG 2.500 . 3.500 2.454 2.425 2.477 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
249 1 11 THR HA 1 12 PHE H 2.500 . 2.500 2.069 2.014 2.124 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
250 1 11 THR HA 1 12 PHE QD 3.500 . 5.500 4.008 3.415 4.414 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
251 1 11 THR HA 1 12 PHE QE 5.000 . 7.000 5.752 5.268 6.131 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
252 1 11 THR HB 1 12 PHE H 5.000 . 5.000 4.228 4.105 4.364 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
253 1 11 THR HB 1 13 ARG QB 5.000 . 6.000 5.479 5.433 5.569 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
254 1 11 THR HB 1 13 ARG QG 4.921 . 4.921 3.421 3.317 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
255 1 11 THR MG 1 12 PHE H 3.500 . 4.500 3.244 3.013 3.566 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
256 1 11 THR MG 1 13 ARG H 5.000 . 6.000 4.546 4.326 4.747 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
257 1 11 THR MG 1 13 ARG QB 3.500 . 5.500 3.968 3.853 4.005 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
258 1 11 THR MG 1 13 ARG QD 5.000 . 7.000 2.840 2.106 3.486 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
259 1 11 THR MG 1 13 ARG HE 5.000 . 6.000 2.755 1.640 4.377 0.160 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
260 1 11 THR MG 1 13 ARG QG 3.500 . 5.500 2.075 2.048 2.125 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
261 1 12 PHE H 1 12 PHE QD 3.500 . 5.500 2.950 2.736 3.078 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
262 1 12 PHE H 1 13 ARG H 5.000 . 5.000 4.306 4.186 4.390 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
263 1 12 PHE HA 1 12 PHE QD 3.500 . 5.500 3.071 2.903 3.320 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
264 1 12 PHE HA 1 13 ARG H 2.500 . 2.500 2.206 2.175 2.256 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
265 1 12 PHE QB 1 13 ARG H 4.227 . 4.227 3.509 3.450 3.696 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
266 1 12 PHE QD 1 13 ARG H 5.000 . 7.000 4.578 4.413 4.848 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
267 1 13 ARG H 1 13 ARG QB 3.389 . 3.389 2.981 2.938 3.168 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
268 1 13 ARG H 1 13 ARG QG 3.387 . 3.387 2.866 2.751 2.934 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
269 1 13 ARG HA 1 13 ARG QG 3.387 . 3.387 2.825 2.690 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
270 1 13 ARG HA 1 14 GLY H 3.500 . 3.500 2.154 2.120 2.197 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
271 1 13 ARG QB 1 14 GLY H 5.000 . 6.000 3.244 3.164 3.344 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
272 1 13 ARG QD 1 13 ARG HE 2.500 . 3.500 2.571 2.331 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
273 1 13 ARG HE 1 13 ARG QG 3.500 . 4.500 2.459 2.294 3.227 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
274 1 14 GLY QA 1 15 PRO QD 3.376 . 3.376 2.338 2.287 2.362 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
275 1 15 PRO HA 1 16 GLY H 3.500 . 3.500 2.341 2.268 2.430 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
276 1 15 PRO QB 1 16 GLY H 4.910 . 4.910 2.625 2.543 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
277 1 15 PRO QG 1 16 GLY H 3.500 . 4.500 4.138 4.106 4.175 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
278 1 16 GLY H 1 17 CYS H 3.500 . 3.500 3.605 3.351 3.753 0.253 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
279 1 16 GLY QA 1 17 CYS H 2.909 . 2.909 2.156 2.062 2.254 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
280 1 17 CYS H 1 17 CYS QB 3.500 . 4.500 2.582 2.378 2.881 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
281 1 17 CYS H 1 18 PRO QD 3.500 . 4.500 3.838 3.633 4.247 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
282 1 17 CYS HA 1 17 CYS QB 2.500 . 3.500 2.329 2.065 2.413 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
283 1 17 CYS HA 1 18 PRO QD 2.324 . 2.324 2.265 2.188 2.301 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
284 1 17 CYS HA 1 18 PRO QG 5.000 . 6.000 4.244 4.189 4.278 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
285 1 17 CYS HA 1 26 ILE MD 3.500 . 4.500 3.406 3.049 3.643 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
286 1 17 CYS HA 1 28 CYS QB 4.921 . 4.921 4.090 3.277 4.349 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
287 1 17 CYS QB 1 28 CYS QB 3.386 . 3.386 2.339 2.136 2.490 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
288 1 18 PRO HA 1 18 PRO QD 4.216 . 4.216 3.517 3.462 3.550 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
289 1 18 PRO HA 1 19 THR H 2.500 . 2.500 2.483 2.411 2.537 0.037 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
290 1 18 PRO HA 1 19 THR MG 5.000 . 6.000 4.488 4.286 4.906 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
291 1 18 PRO QB 1 19 THR H 2.891 . 2.891 2.460 2.390 2.520 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
292 1 18 PRO QB 1 20 VAL QG 5.000 . 8.400 4.113 3.344 4.815 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
293 1 18 PRO QG 1 19 THR H 5.000 . 6.000 4.060 3.959 4.137 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
294 1 18 PRO QG 1 20 VAL QG 5.000 . 8.400 3.288 2.605 3.910 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
295 1 18 PRO QG 1 26 ILE MD 3.500 . 5.500 2.918 2.173 3.910 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
296 1 19 THR H 1 19 THR HB 3.500 . 3.500 3.548 3.293 3.642 0.142 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
297 1 19 THR H 1 19 THR MG 3.500 . 4.500 3.046 2.521 3.629 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
298 1 19 THR HA 1 19 THR HB 2.500 . 2.500 2.596 2.274 2.783 0.283 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
299 1 19 THR HA 1 19 THR MG 3.500 . 4.500 2.518 2.219 3.328 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
300 1 19 THR HA 1 20 VAL H 2.500 . 2.500 2.272 2.192 2.357 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
301 1 19 THR HA 1 20 VAL QG 5.792 . 5.792 3.348 3.140 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
302 1 19 THR HB 1 20 VAL H 3.500 . 3.500 2.905 2.511 3.668 0.168 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
303 1 19 THR MG 1 20 VAL H 3.500 . 4.500 3.258 2.719 3.750 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
304 1 19 THR MG 1 20 VAL HA 5.000 . 6.000 5.135 4.596 5.319 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
305 1 19 THR MG 1 26 ILE MG 5.000 . 7.000 4.728 4.641 4.929 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
306 1 20 VAL H 1 20 VAL QG 4.218 . 4.218 2.586 2.298 2.700 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
307 1 20 VAL H 1 21 LYS H 5.000 . 5.000 4.581 4.484 4.728 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
308 1 20 VAL H 1 26 ILE MD 5.000 . 6.000 4.526 4.119 4.819 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
309 1 20 VAL H 1 26 ILE MG 5.000 . 6.000 3.915 3.158 4.369 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
310 1 20 VAL HA 1 20 VAL HB 2.500 . 2.500 2.510 2.483 2.528 0.028 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
311 1 20 VAL HA 1 21 LYS H 2.500 . 2.500 2.295 2.141 2.442 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
312 1 20 VAL HA 1 21 LYS QD 5.000 . 6.000 4.814 3.762 5.296 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
313 1 20 VAL HA 1 21 LYS QG 5.000 . 6.000 4.362 3.402 5.488 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
314 1 20 VAL HB 1 21 LYS H 2.500 . 2.500 2.432 2.103 2.555 0.055 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
315 1 20 VAL HB 1 24 VAL QG 4.218 . 4.218 2.672 2.161 3.083 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
316 1 20 VAL QG 1 21 LYS H 5.792 . 5.792 3.217 3.038 3.294 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
317 1 20 VAL QG 1 24 VAL H 5.000 . 7.400 4.399 3.843 4.593 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
318 1 20 VAL QG 1 24 VAL HB 4.655 . 4.655 3.012 2.495 3.337 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
319 1 20 VAL QG 1 24 VAL QG 5.003 . 5.003 2.018 1.857 2.204 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
320 1 20 VAL QG 1 26 ILE H 5.000 . 7.400 1.990 1.667 2.852 0.133 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
321 1 20 VAL QG 1 26 ILE HB 4.218 . 4.218 1.988 1.937 2.043 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
322 1 20 VAL QG 1 26 ILE MD 4.218 . 4.218 1.931 1.864 2.165 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
323 1 20 VAL QG 1 26 ILE MG 4.774 . 4.774 2.383 2.124 2.678 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
324 1 21 LYS H 1 21 LYS QB 2.500 . 3.500 2.598 2.045 2.980 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
325 1 21 LYS H 1 21 LYS QD 2.500 . 3.500 3.053 2.551 3.435 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
326 1 21 LYS H 1 21 LYS QG 3.500 . 4.500 2.588 2.013 3.921 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
327 1 21 LYS H 1 24 VAL QG 5.792 . 5.792 3.754 3.363 4.280 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
328 1 21 LYS HA 1 21 LYS QD 3.500 . 4.500 3.395 2.477 4.180 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
329 1 21 LYS HA 1 21 LYS QG 3.500 . 4.500 3.336 2.476 3.687 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
330 1 21 LYS HA 1 22 PRO QD 2.898 . 2.898 2.381 2.207 2.583 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
331 1 21 LYS QB 1 21 LYS QD 2.500 . 4.500 2.433 2.071 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
332 1 21 LYS QB 1 22 PRO QD 3.924 . 3.924 2.412 2.111 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
333 1 21 LYS QB 1 24 VAL QG 3.500 . 6.900 3.769 2.401 4.714 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
334 1 21 LYS QD 1 22 PRO QD 4.404 . 4.404 3.442 3.164 3.685 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
335 1 21 LYS QD 1 24 VAL QG 3.500 . 6.900 3.402 2.103 4.551 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
336 1 21 LYS QG 1 22 PRO QD 5.929 . 5.929 3.613 2.114 4.425 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
337 1 21 LYS QG 1 24 VAL QG 3.500 . 6.900 3.424 2.698 4.513 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
338 1 22 PRO HA 1 22 PRO QD 4.216 . 4.216 3.443 3.342 3.585 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
339 1 22 PRO HA 1 23 DAL HB1 5.000 . 6.000 5.348 4.855 5.962 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
340 1 22 PRO HA 1 24 VAL H 5.000 . 5.000 4.268 3.378 4.543 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
341 1 23 DAL HA 1 23 DAL HB1 2.500 . 3.500 2.665 2.469 3.079 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
342 1 23 DAL HA 1 24 VAL H 3.500 . 3.500 2.493 2.377 3.498 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
343 1 23 DAL HA 1 24 VAL QG 5.792 . 5.792 3.706 3.595 3.843 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
344 1 23 DAL HB1 1 24 VAL H 3.500 . 4.500 4.525 4.373 4.712 0.212 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
345 1 24 VAL H 1 24 VAL HB 2.500 . 2.500 2.572 2.459 2.671 0.171 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
346 1 24 VAL H 1 24 VAL QG 4.218 . 4.218 2.408 2.286 2.909 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
347 1 24 VAL H 1 25 THR H 5.000 . 5.000 4.609 4.349 4.720 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
348 1 24 VAL HA 1 25 THR H 2.500 . 2.500 2.286 2.214 2.348 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
349 1 24 VAL HB 1 25 THR H 5.000 . 5.000 4.253 4.037 4.448 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
350 1 24 VAL QG 1 25 THR H 5.066 . 5.066 2.876 2.539 3.211 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
351 1 24 VAL QG 1 26 ILE H 3.500 . 5.900 3.545 3.481 3.673 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
352 1 24 VAL QG 1 26 ILE HB 3.500 . 5.900 3.578 3.510 3.640 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
353 1 24 VAL QG 1 26 ILE QG 5.000 . 8.400 4.471 4.329 4.599 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
354 1 25 THR H 1 25 THR HB 3.500 . 3.500 3.734 3.537 3.787 0.287 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
355 1 25 THR H 1 25 THR MG 3.500 . 4.500 3.337 2.869 3.475 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
356 1 25 THR H 1 26 ILE H 3.500 . 3.500 3.657 3.591 3.701 0.201 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
357 1 25 THR HA 1 25 THR MG 3.500 . 4.500 2.559 2.452 3.346 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
358 1 25 THR HA 1 26 ILE H 2.500 . 2.500 2.018 1.790 2.087 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
359 1 25 THR HA 1 26 ILE MG 5.000 . 6.000 3.854 3.682 4.037 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
360 1 25 THR HB 1 26 ILE H 3.500 . 3.500 3.703 3.648 3.898 0.398 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
361 1 26 ILE H 1 26 ILE MD 3.500 . 4.500 3.970 3.905 4.037 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
362 1 26 ILE H 1 26 ILE MG 2.500 . 3.500 2.524 2.414 2.648 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
363 1 26 ILE HA 1 26 ILE MG 3.500 . 4.500 3.409 3.392 3.433 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
364 1 26 ILE HA 1 27 ARG H 3.500 . 3.500 2.427 2.341 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
365 1 26 ILE HB 1 26 ILE MD 2.500 . 3.500 2.260 2.216 2.300 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
366 1 26 ILE HB 1 26 ILE QG 2.500 . 3.500 2.567 2.541 2.604 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
367 1 26 ILE MD 1 26 ILE MG 2.500 . 4.500 2.307 2.201 2.407 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
368 1 26 ILE QG 1 28 CYS H 5.000 . 6.000 4.179 3.712 4.510 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
369 1 26 ILE MG 1 28 CYS H 5.000 . 6.000 3.702 3.251 4.147 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
370 1 27 ARG H 1 27 ARG QB 3.389 . 3.389 2.870 2.676 2.985 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
371 1 27 ARG H 1 27 ARG QD 5.000 . 6.000 5.154 3.764 5.315 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
372 1 27 ARG H 1 28 CYS H 3.500 . 3.500 3.594 3.487 3.819 0.319 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
373 1 27 ARG HA 1 27 ARG QG 3.387 . 3.387 2.468 2.352 2.533 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
374 1 27 ARG HA 1 28 CYS H 2.500 . 2.500 1.821 1.780 2.034 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
375 1 27 ARG QB 1 27 ARG HE 4.923 . 4.923 3.411 2.567 4.167 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
376 1 27 ARG QB 1 27 ARG QG 2.168 . 2.168 2.052 1.923 2.065 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
377 1 27 ARG QB 1 28 CYS H 3.389 . 3.389 3.451 2.969 3.616 0.227 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
378 1 27 ARG QB 1 29 GLU HA 5.000 . 6.000 5.045 3.717 5.457 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
379 1 27 ARG QG 1 28 CYS H 4.224 . 4.224 3.229 2.787 3.890 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
380 1 27 ARG QG 1 29 GLU HA 5.000 . 6.000 3.929 3.411 5.519 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
381 1 28 CYS H 1 28 CYS QB 2.910 . 2.910 2.683 2.561 2.777 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
382 1 28 CYS HA 1 29 GLU H 2.500 . 2.500 2.134 2.076 2.304 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
383 1 28 CYS QB 1 29 GLU H 4.224 . 4.224 3.842 3.524 3.955 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
384 1 29 GLU H 1 29 GLU QG 3.388 . 3.388 2.717 2.488 2.989 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
385 1 29 GLU HA 1 29 GLU QG 3.388 . 3.388 2.721 2.468 3.372 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
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