NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401574 |
1vyx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1vyx
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 958
_Distance_constraint_stats_list.Viol_count 690
_Distance_constraint_stats_list.Viol_total 819.523
_Distance_constraint_stats_list.Viol_max 0.227
_Distance_constraint_stats_list.Viol_rms 0.0086
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0424
_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 MET 0.056 0.038 9 0 "[ . 1 . 2 . ]"
1 2 GLU 0.720 0.070 26 0 "[ . 1 . 2 . ]"
1 3 ASP 0.974 0.070 26 0 "[ . 1 . 2 . ]"
1 4 GLU 0.310 0.058 2 0 "[ . 1 . 2 . ]"
1 5 ASP 0.139 0.067 5 0 "[ . 1 . 2 . ]"
1 6 VAL 0.545 0.072 3 0 "[ . 1 . 2 . ]"
1 7 PRO 0.551 0.110 10 0 "[ . 1 . 2 . ]"
1 8 VAL 1.303 0.126 5 0 "[ . 1 . 2 . ]"
1 9 CYS 1.677 0.080 22 0 "[ . 1 . 2 . ]"
1 10 TRP 2.485 0.139 14 0 "[ . 1 . 2 . ]"
1 11 ILE 3.087 0.095 5 0 "[ . 1 . 2 . ]"
1 12 CYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 13 ASN 0.130 0.045 11 0 "[ . 1 . 2 . ]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 15 GLU 1.211 0.126 5 0 "[ . 1 . 2 . ]"
1 16 LEU 2.055 0.106 19 0 "[ . 1 . 2 . ]"
1 17 GLY 0.212 0.059 24 0 "[ . 1 . 2 . ]"
1 18 ASN 0.768 0.227 8 0 "[ . 1 . 2 . ]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 20 ARG 0.768 0.227 8 0 "[ . 1 . 2 . ]"
1 21 PHE 0.312 0.048 18 0 "[ . 1 . 2 . ]"
1 22 ARG 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 23 ALA 1.203 0.104 16 0 "[ . 1 . 2 . ]"
1 24 CYS 3.004 0.172 9 0 "[ . 1 . 2 . ]"
1 25 GLY 1.772 0.172 9 0 "[ . 1 . 2 . ]"
1 26 CYS 0.734 0.070 19 0 "[ . 1 . 2 . ]"
1 27 THR 0.087 0.053 14 0 "[ . 1 . 2 . ]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 29 GLU 0.480 0.063 19 0 "[ . 1 . 2 . ]"
1 30 LEU 0.917 0.095 5 0 "[ . 1 . 2 . ]"
1 31 GLU 0.919 0.084 7 0 "[ . 1 . 2 . ]"
1 32 ASN 2.875 0.139 14 0 "[ . 1 . 2 . ]"
1 33 VAL 4.080 0.214 25 0 "[ . 1 . 2 . ]"
1 34 HIS 3.589 0.080 22 0 "[ . 1 . 2 . ]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 36 SER 0.088 0.028 13 0 "[ . 1 . 2 . ]"
1 37 CYS 3.713 0.079 7 0 "[ . 1 . 2 . ]"
1 38 LEU 7.152 0.214 25 0 "[ . 1 . 2 . ]"
1 39 SER 0.092 0.019 21 0 "[ . 1 . 2 . ]"
1 40 THR 0.744 0.079 7 0 "[ . 1 . 2 . ]"
1 41 TRP 3.012 0.093 15 0 "[ . 1 . 2 . ]"
1 42 LEU 0.054 0.019 21 0 "[ . 1 . 2 . ]"
1 43 THR 0.319 0.042 13 0 "[ . 1 . 2 . ]"
1 44 ILE 0.075 0.028 5 0 "[ . 1 . 2 . ]"
1 45 SER 0.483 0.067 16 0 "[ . 1 . 2 . ]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 47 ASN 0.621 0.066 18 0 "[ . 1 . 2 . ]"
1 48 THR 0.621 0.066 18 0 "[ . 1 . 2 . ]"
1 49 ALA 0.009 0.009 27 0 "[ . 1 . 2 . ]"
1 50 CYS 1.226 0.088 19 0 "[ . 1 . 2 . ]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 53 CYS 0.083 0.023 25 0 "[ . 1 . 2 . ]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 55 VAL 0.766 0.084 16 0 "[ . 1 . 2 . ]"
1 56 VAL 0.009 0.009 27 0 "[ . 1 . 2 . ]"
1 57 TYR 1.027 0.074 17 0 "[ . 1 . 2 . ]"
1 58 ASN 0.877 0.074 17 0 "[ . 1 . 2 . ]"
1 59 THR 0.091 0.048 18 0 "[ . 1 . 2 . ]"
1 60 ARG 0.000 0.000 . 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 1 MET HA 1 1 MET ME 5.000 . 6.000 4.111 2.140 4.993 . 0 0 "[ . 1 . 2 . ]" 1
2 1 1 MET QB 1 1 MET ME 4.000 . 4.750 2.811 1.808 3.445 . 0 0 "[ . 1 . 2 . ]" 1
3 1 2 GLU H 1 2 GLU QB 3.000 . 3.500 2.429 1.942 3.171 . 0 0 "[ . 1 . 2 . ]" 1
4 1 2 GLU H 1 2 GLU QG 4.000 . 4.750 3.188 1.836 4.121 . 0 0 "[ . 1 . 2 . ]" 1
5 1 3 ASP H 1 3 ASP HA 3.000 . 3.500 2.727 2.353 2.994 . 0 0 "[ . 1 . 2 . ]" 1
6 1 3 ASP H 1 3 ASP QB 3.000 . 3.500 2.615 2.123 3.131 . 0 0 "[ . 1 . 2 . ]" 1
7 1 4 GLU H 1 4 GLU HA 3.000 . 3.500 2.901 2.368 3.003 . 0 0 "[ . 1 . 2 . ]" 1
8 1 4 GLU H 1 4 GLU QB 3.000 . 3.500 2.590 2.217 3.172 . 0 0 "[ . 1 . 2 . ]" 1
9 1 4 GLU H 1 4 GLU QG 4.000 . 4.750 2.578 1.881 3.700 . 0 0 "[ . 1 . 2 . ]" 1
10 1 5 ASP H 1 5 ASP HA 3.000 . 3.500 2.735 2.363 3.003 . 0 0 "[ . 1 . 2 . ]" 1
11 1 5 ASP H 1 5 ASP QB 3.000 . 3.500 2.500 1.931 3.074 . 0 0 "[ . 1 . 2 . ]" 1
12 1 6 VAL H 1 6 VAL HA 3.000 . 3.500 2.985 2.922 3.004 . 0 0 "[ . 1 . 2 . ]" 1
13 1 6 VAL H 1 6 VAL HB 3.000 . 3.500 2.502 2.173 2.730 . 0 0 "[ . 1 . 2 . ]" 1
14 1 6 VAL H 1 6 VAL MG1 4.000 . 4.750 3.784 3.638 3.902 . 0 0 "[ . 1 . 2 . ]" 1
15 1 6 VAL H 1 6 VAL MG2 3.000 . 3.500 2.504 1.845 2.874 . 0 0 "[ . 1 . 2 . ]" 1
16 1 6 VAL HA 1 6 VAL HB 3.000 . 3.500 3.032 3.021 3.039 . 0 0 "[ . 1 . 2 . ]" 1
17 1 8 VAL H 1 8 VAL HB 4.000 . 4.750 2.752 2.590 2.961 . 0 0 "[ . 1 . 2 . ]" 1
18 1 8 VAL H 1 8 VAL MG2 4.000 . 4.750 2.462 1.846 2.655 . 0 0 "[ . 1 . 2 . ]" 1
19 1 8 VAL HA 1 8 VAL HB 3.000 . 3.500 3.018 2.984 3.032 . 0 0 "[ . 1 . 2 . ]" 1
20 1 9 CYS H 1 9 CYS HB3 3.000 . 3.500 2.272 2.130 2.368 . 0 0 "[ . 1 . 2 . ]" 1
21 1 9 CYS H 1 9 CYS HB2 3.000 . 3.500 2.633 2.529 2.792 . 0 0 "[ . 1 . 2 . ]" 1
22 1 9 CYS HA 1 9 CYS HB2 3.000 . 3.500 2.405 2.343 2.440 . 0 0 "[ . 1 . 2 . ]" 1
23 1 10 TRP H 1 10 TRP HB3 3.000 . 3.500 2.418 2.327 2.492 . 0 0 "[ . 1 . 2 . ]" 1
24 1 10 TRP H 1 10 TRP HB2 4.000 . 4.750 3.510 3.499 3.526 . 0 0 "[ . 1 . 2 . ]" 1
25 1 10 TRP H 1 10 TRP HD1 3.000 . 3.500 1.965 1.870 2.090 . 0 0 "[ . 1 . 2 . ]" 1
26 1 10 TRP H 1 10 TRP HE3 5.000 . 6.000 5.038 4.895 5.214 . 0 0 "[ . 1 . 2 . ]" 1
27 1 10 TRP HA 1 10 TRP HB3 3.000 . 3.500 2.463 2.436 2.487 . 0 0 "[ . 1 . 2 . ]" 1
28 1 10 TRP HA 1 10 TRP HB2 3.000 . 3.500 2.479 2.460 2.509 . 0 0 "[ . 1 . 2 . ]" 1
29 1 10 TRP HA 1 10 TRP HD1 4.000 . 4.750 4.321 4.267 4.382 . 0 0 "[ . 1 . 2 . ]" 1
30 1 10 TRP HA 1 10 TRP HE3 4.000 . 4.750 4.327 4.234 4.394 . 0 0 "[ . 1 . 2 . ]" 1
31 1 10 TRP HB3 1 10 TRP HD1 3.000 . 3.500 2.661 2.621 2.707 . 0 0 "[ . 1 . 2 . ]" 1
32 1 10 TRP HB3 1 10 TRP HE3 4.000 . 4.750 4.137 4.099 4.179 . 0 0 "[ . 1 . 2 . ]" 1
33 1 10 TRP HB2 1 10 TRP HE3 3.000 . 3.500 2.609 2.558 2.672 . 0 0 "[ . 1 . 2 . ]" 1
34 1 11 ILE H 1 11 ILE HB 3.000 . 3.500 2.502 2.379 2.563 . 0 0 "[ . 1 . 2 . ]" 1
35 1 11 ILE H 1 11 ILE HG13 3.000 . 3.500 1.957 1.859 2.194 . 0 0 "[ . 1 . 2 . ]" 1
36 1 11 ILE H 1 11 ILE HG12 4.000 . 4.750 3.004 2.827 3.275 . 0 0 "[ . 1 . 2 . ]" 1
37 1 11 ILE H 1 11 ILE MD 5.000 . 6.000 3.578 3.349 3.699 . 0 0 "[ . 1 . 2 . ]" 1
38 1 11 ILE HA 1 11 ILE HG13 4.000 . 4.750 3.270 3.088 3.385 . 0 0 "[ . 1 . 2 . ]" 1
39 1 11 ILE HA 1 11 ILE HG12 4.000 . 4.750 2.485 2.380 2.618 . 0 0 "[ . 1 . 2 . ]" 1
40 1 12 CYS H 1 12 CYS HB3 4.000 . 4.750 2.752 2.624 2.902 . 0 0 "[ . 1 . 2 . ]" 1
41 1 12 CYS H 1 12 CYS HB2 4.000 . 4.750 3.628 3.607 3.658 . 0 0 "[ . 1 . 2 . ]" 1
42 1 12 CYS HA 1 12 CYS HB3 3.000 . 3.500 2.480 2.423 2.552 . 0 0 "[ . 1 . 2 . ]" 1
43 1 12 CYS HA 1 12 CYS HB2 3.000 . 3.500 2.466 2.396 2.517 . 0 0 "[ . 1 . 2 . ]" 1
44 1 13 ASN H 1 13 ASN HA 3.000 . 3.500 2.365 2.360 2.370 . 0 0 "[ . 1 . 2 . ]" 1
45 1 14 GLU H 1 14 GLU QB 3.000 . 3.500 2.511 2.361 2.785 . 0 0 "[ . 1 . 2 . ]" 1
46 1 14 GLU H 1 14 GLU QG 4.000 . 4.750 3.977 3.854 4.101 . 0 0 "[ . 1 . 2 . ]" 1
47 1 14 GLU HA 1 14 GLU QG 3.000 . 3.500 2.607 2.448 3.127 . 0 0 "[ . 1 . 2 . ]" 1
48 1 15 GLU H 1 15 GLU QB 3.000 . 3.500 2.041 1.916 2.608 . 0 0 "[ . 1 . 2 . ]" 1
49 1 15 GLU H 1 15 GLU QG 4.000 . 4.750 3.031 1.847 3.618 . 0 0 "[ . 1 . 2 . ]" 1
50 1 16 LEU H 1 16 LEU HB3 4.000 . 4.750 3.221 2.938 3.576 . 0 0 "[ . 1 . 2 . ]" 1
51 1 16 LEU H 1 16 LEU HB2 4.000 . 4.750 3.653 3.432 3.851 . 0 0 "[ . 1 . 2 . ]" 1
52 1 16 LEU H 1 16 LEU HG 4.000 . 4.750 2.421 2.001 3.585 . 0 0 "[ . 1 . 2 . ]" 1
53 1 16 LEU H 1 16 LEU MD1 5.000 . 6.000 3.585 1.794 3.971 0.006 24 0 "[ . 1 . 2 . ]" 1
54 1 16 LEU H 1 16 LEU MD2 5.000 . 6.000 1.822 1.694 1.916 0.106 19 0 "[ . 1 . 2 . ]" 1
55 1 16 LEU HA 1 16 LEU HB3 3.000 . 3.500 2.377 2.250 2.554 . 0 0 "[ . 1 . 2 . ]" 1
56 1 16 LEU HA 1 16 LEU HG 4.000 . 4.750 3.708 3.596 4.188 . 0 0 "[ . 1 . 2 . ]" 1
57 1 16 LEU HB3 1 16 LEU HG 3.000 . 3.500 2.974 2.437 3.033 . 0 0 "[ . 1 . 2 . ]" 1
58 1 16 LEU HB2 1 16 LEU HG 3.000 . 3.500 2.585 2.444 2.683 . 0 0 "[ . 1 . 2 . ]" 1
59 1 19 GLU H 1 19 GLU QB 3.000 . 3.500 2.065 1.933 2.195 . 0 0 "[ . 1 . 2 . ]" 1
60 1 20 ARG H 1 20 ARG QG 4.000 . 4.750 3.164 1.863 3.999 . 0 0 "[ . 1 . 2 . ]" 1
61 1 20 ARG HA 1 20 ARG QD 4.000 . 4.750 3.139 1.941 4.131 . 0 0 "[ . 1 . 2 . ]" 1
62 1 21 PHE H 1 21 PHE HB3 4.000 . 4.750 2.686 2.618 2.751 . 0 0 "[ . 1 . 2 . ]" 1
63 1 21 PHE H 1 21 PHE HB2 3.000 . 3.500 3.369 3.272 3.475 . 0 0 "[ . 1 . 2 . ]" 1
64 1 21 PHE H 1 21 PHE QD 4.000 . 4.750 4.243 4.234 4.264 . 0 0 "[ . 1 . 2 . ]" 1
65 1 21 PHE HA 1 21 PHE HB2 3.000 . 3.500 2.409 2.360 2.438 . 0 0 "[ . 1 . 2 . ]" 1
66 1 21 PHE HA 1 21 PHE QD 3.000 . 3.500 2.062 1.969 2.231 . 0 0 "[ . 1 . 2 . ]" 1
67 1 21 PHE HA 1 21 PHE QE 5.000 . 6.000 4.427 4.349 4.593 . 0 0 "[ . 1 . 2 . ]" 1
68 1 21 PHE HB3 1 21 PHE QD 3.000 . 3.500 2.475 2.395 2.533 . 0 0 "[ . 1 . 2 . ]" 1
69 1 21 PHE HB2 1 21 PHE QD 3.000 . 3.500 2.761 2.736 2.784 . 0 0 "[ . 1 . 2 . ]" 1
70 1 22 ARG H 1 22 ARG QB 3.000 . 3.500 2.127 1.938 2.471 . 0 0 "[ . 1 . 2 . ]" 1
71 1 22 ARG H 1 22 ARG QG 4.000 . 4.750 3.164 1.919 3.993 . 0 0 "[ . 1 . 2 . ]" 1
72 1 22 ARG HA 1 22 ARG QD 4.000 . 4.750 3.200 2.029 4.160 . 0 0 "[ . 1 . 2 . ]" 1
73 1 24 CYS H 1 24 CYS HB3 4.000 . 4.750 3.046 2.300 3.537 . 0 0 "[ . 1 . 2 . ]" 1
74 1 24 CYS H 1 24 CYS HB2 4.000 . 4.750 3.585 2.833 3.921 . 0 0 "[ . 1 . 2 . ]" 1
75 1 24 CYS HA 1 24 CYS HB2 3.000 . 3.500 2.403 2.259 2.778 . 0 0 "[ . 1 . 2 . ]" 1
76 1 26 CYS H 1 26 CYS HB3 4.000 . 4.750 3.558 3.302 4.001 . 0 0 "[ . 1 . 2 . ]" 1
77 1 26 CYS H 1 26 CYS HB2 3.000 . 3.500 2.352 1.963 2.984 . 0 0 "[ . 1 . 2 . ]" 1
78 1 26 CYS HA 1 26 CYS HB3 3.000 . 3.500 2.685 2.448 2.806 . 0 0 "[ . 1 . 2 . ]" 1
79 1 27 THR H 1 27 THR HB 4.000 . 4.750 3.130 2.452 3.779 . 0 0 "[ . 1 . 2 . ]" 1
80 1 27 THR H 1 27 THR MG 4.000 . 4.750 3.158 1.902 3.899 . 0 0 "[ . 1 . 2 . ]" 1
81 1 29 GLU H 1 29 GLU QB 3.000 . 3.500 2.216 2.101 2.699 . 0 0 "[ . 1 . 2 . ]" 1
82 1 29 GLU H 1 29 GLU QG 4.000 . 4.750 2.731 1.863 3.955 . 0 0 "[ . 1 . 2 . ]" 1
83 1 30 LEU H 1 30 LEU HG 4.000 . 4.750 4.391 3.201 4.598 . 0 0 "[ . 1 . 2 . ]" 1
84 1 30 LEU H 1 30 LEU MD1 5.000 . 6.000 3.996 2.051 4.198 . 0 0 "[ . 1 . 2 . ]" 1
85 1 30 LEU H 1 30 LEU MD2 5.000 . 6.000 3.402 3.001 4.133 . 0 0 "[ . 1 . 2 . ]" 1
86 1 30 LEU H 1 30 LEU QB 3.000 . 3.500 2.047 1.963 2.193 . 0 0 "[ . 1 . 2 . ]" 1
87 1 30 LEU HA 1 30 LEU HG 4.000 . 4.750 3.450 2.029 3.603 . 0 0 "[ . 1 . 2 . ]" 1
88 1 30 LEU HA 1 30 LEU MD2 4.000 . 4.750 1.941 1.780 3.330 0.020 2 0 "[ . 1 . 2 . ]" 1
89 1 31 GLU H 1 31 GLU QG 4.000 . 4.750 3.128 2.107 4.018 . 0 0 "[ . 1 . 2 . ]" 1
90 1 31 GLU HA 1 31 GLU QG 3.000 . 3.500 2.203 1.911 3.160 . 0 0 "[ . 1 . 2 . ]" 1
91 1 32 ASN H 1 32 ASN HB3 4.000 . 4.750 3.669 3.566 3.795 . 0 0 "[ . 1 . 2 . ]" 1
92 1 32 ASN H 1 32 ASN HB2 3.000 . 3.500 2.547 2.267 2.820 . 0 0 "[ . 1 . 2 . ]" 1
93 1 32 ASN H 1 32 ASN QD 3.000 . 3.500 2.827 2.283 3.132 . 0 0 "[ . 1 . 2 . ]" 1
94 1 32 ASN HA 1 32 ASN HB3 3.000 . 3.500 2.427 2.355 2.572 . 0 0 "[ . 1 . 2 . ]" 1
95 1 33 VAL H 1 33 VAL HB 3.000 . 3.500 3.365 3.198 3.466 . 0 0 "[ . 1 . 2 . ]" 1
96 1 33 VAL H 1 33 VAL MG1 4.000 . 4.750 2.077 1.913 2.239 . 0 0 "[ . 1 . 2 . ]" 1
97 1 34 HIS H 1 34 HIS HB3 4.000 . 4.750 3.473 3.351 3.577 . 0 0 "[ . 1 . 2 . ]" 1
98 1 34 HIS H 1 34 HIS HB2 4.000 . 4.750 2.191 1.946 2.526 . 0 0 "[ . 1 . 2 . ]" 1
99 1 34 HIS HA 1 34 HIS HD2 4.000 . 4.750 2.559 2.218 3.061 . 0 0 "[ . 1 . 2 . ]" 1
100 1 34 HIS HB3 1 34 HIS HD2 4.000 . 4.750 3.187 2.943 3.358 . 0 0 "[ . 1 . 2 . ]" 1
101 1 34 HIS HB2 1 34 HIS HD2 4.000 . 4.750 3.990 3.970 4.006 . 0 0 "[ . 1 . 2 . ]" 1
102 1 35 ARG H 1 35 ARG HB3 3.000 . 3.500 2.503 2.227 3.013 . 0 0 "[ . 1 . 2 . ]" 1
103 1 35 ARG H 1 35 ARG HB2 3.000 . 3.500 2.394 1.996 2.670 . 0 0 "[ . 1 . 2 . ]" 1
104 1 35 ARG H 1 35 ARG QD 5.000 . 6.000 4.396 3.961 4.815 . 0 0 "[ . 1 . 2 . ]" 1
105 1 35 ARG HA 1 35 ARG HB2 3.000 . 3.500 2.516 2.392 2.772 . 0 0 "[ . 1 . 2 . ]" 1
106 1 35 ARG HA 1 35 ARG QD 4.000 . 4.750 3.627 3.099 4.027 . 0 0 "[ . 1 . 2 . ]" 1
107 1 35 ARG HB3 1 35 ARG QD 3.000 . 3.500 2.712 2.269 3.071 . 0 0 "[ . 1 . 2 . ]" 1
108 1 37 CYS H 1 37 CYS HB3 3.000 . 3.500 2.847 2.605 3.347 . 0 0 "[ . 1 . 2 . ]" 1
109 1 37 CYS H 1 37 CYS HB2 4.000 . 4.750 3.564 3.441 3.580 . 0 0 "[ . 1 . 2 . ]" 1
110 1 38 LEU H 1 38 LEU HA 3.000 . 3.500 2.923 2.901 2.939 . 0 0 "[ . 1 . 2 . ]" 1
111 1 38 LEU H 1 38 LEU HB3 3.000 . 3.500 2.237 2.196 2.288 . 0 0 "[ . 1 . 2 . ]" 1
112 1 38 LEU H 1 38 LEU HB2 4.000 . 4.750 2.771 2.695 2.855 . 0 0 "[ . 1 . 2 . ]" 1
113 1 38 LEU H 1 38 LEU HG 4.000 . 4.750 4.235 4.177 4.287 . 0 0 "[ . 1 . 2 . ]" 1
114 1 38 LEU H 1 38 LEU MD1 5.000 . 6.000 4.069 4.037 4.097 . 0 0 "[ . 1 . 2 . ]" 1
115 1 38 LEU H 1 38 LEU MD2 5.000 . 6.000 4.233 4.162 4.276 . 0 0 "[ . 1 . 2 . ]" 1
116 1 38 LEU HA 1 38 LEU HG 4.000 . 4.750 3.412 3.313 3.463 . 0 0 "[ . 1 . 2 . ]" 1
117 1 38 LEU HA 1 38 LEU MD1 4.000 . 4.750 1.893 1.807 2.073 . 0 0 "[ . 1 . 2 . ]" 1
118 1 38 LEU HA 1 38 LEU MD2 4.000 . 4.750 3.744 3.698 3.817 . 0 0 "[ . 1 . 2 . ]" 1
119 1 38 LEU HB3 1 38 LEU HG 3.000 . 3.500 2.387 2.364 2.434 . 0 0 "[ . 1 . 2 . ]" 1
120 1 38 LEU HB2 1 38 LEU HG 3.000 . 3.500 3.026 3.019 3.034 . 0 0 "[ . 1 . 2 . ]" 1
121 1 39 SER H 1 39 SER HA 3.000 . 3.500 2.801 2.788 2.821 . 0 0 "[ . 1 . 2 . ]" 1
122 1 39 SER H 1 39 SER QB 3.000 . 3.500 2.123 2.040 2.171 . 0 0 "[ . 1 . 2 . ]" 1
123 1 40 THR H 1 40 THR HA 3.000 . 3.500 2.937 2.909 2.954 . 0 0 "[ . 1 . 2 . ]" 1
124 1 40 THR H 1 40 THR HB 4.000 . 4.750 2.579 2.277 3.555 . 0 0 "[ . 1 . 2 . ]" 1
125 1 41 TRP H 1 41 TRP HB3 3.000 . 3.500 2.163 2.072 2.257 . 0 0 "[ . 1 . 2 . ]" 1
126 1 41 TRP H 1 41 TRP HB2 3.000 . 3.500 2.734 2.630 2.840 . 0 0 "[ . 1 . 2 . ]" 1
127 1 41 TRP H 1 41 TRP HD1 5.000 . 6.000 5.088 5.004 5.167 . 0 0 "[ . 1 . 2 . ]" 1
128 1 41 TRP H 1 41 TRP HE3 5.000 . 6.000 4.194 3.935 4.413 . 0 0 "[ . 1 . 2 . ]" 1
129 1 41 TRP HA 1 41 TRP HD1 4.000 . 4.750 3.036 2.895 3.172 . 0 0 "[ . 1 . 2 . ]" 1
130 1 41 TRP HA 1 41 TRP HE3 5.000 . 6.000 4.871 4.785 4.963 . 0 0 "[ . 1 . 2 . ]" 1
131 1 41 TRP HB3 1 41 TRP HE3 4.000 . 4.750 2.551 2.497 2.576 . 0 0 "[ . 1 . 2 . ]" 1
132 1 41 TRP HB2 1 41 TRP HD1 3.000 . 3.500 2.724 2.698 2.793 . 0 0 "[ . 1 . 2 . ]" 1
133 1 41 TRP HB2 1 41 TRP HE3 4.000 . 4.750 4.080 4.013 4.107 . 0 0 "[ . 1 . 2 . ]" 1
134 1 42 LEU H 1 42 LEU HB3 3.000 . 3.500 2.568 2.531 2.625 . 0 0 "[ . 1 . 2 . ]" 1
135 1 42 LEU H 1 42 LEU HB2 4.000 . 4.750 3.547 3.533 3.563 . 0 0 "[ . 1 . 2 . ]" 1
136 1 42 LEU H 1 42 LEU HG 3.000 . 3.500 1.818 1.793 1.843 0.007 24 0 "[ . 1 . 2 . ]" 1
137 1 42 LEU H 1 42 LEU MD1 5.000 . 6.000 3.474 3.425 3.504 . 0 0 "[ . 1 . 2 . ]" 1
138 1 42 LEU H 1 42 LEU MD2 5.000 . 6.000 2.867 2.767 2.992 . 0 0 "[ . 1 . 2 . ]" 1
139 1 42 LEU HA 1 42 LEU HG 4.000 . 4.750 3.544 3.533 3.566 . 0 0 "[ . 1 . 2 . ]" 1
140 1 42 LEU HB3 1 42 LEU HG 3.000 . 3.500 2.688 2.644 2.721 . 0 0 "[ . 1 . 2 . ]" 1
141 1 43 THR H 1 43 THR HA 3.000 . 3.500 2.879 2.843 2.909 . 0 0 "[ . 1 . 2 . ]" 1
142 1 43 THR H 1 43 THR HB 3.000 . 3.500 2.348 2.142 2.782 . 0 0 "[ . 1 . 2 . ]" 1
143 1 43 THR H 1 43 THR MG 4.000 . 4.750 3.675 3.628 3.708 . 0 0 "[ . 1 . 2 . ]" 1
144 1 43 THR HA 1 43 THR MG 3.000 . 3.500 2.406 2.145 2.575 . 0 0 "[ . 1 . 2 . ]" 1
145 1 44 ILE H 1 44 ILE HA 3.000 . 3.500 2.914 2.868 2.932 . 0 0 "[ . 1 . 2 . ]" 1
146 1 44 ILE H 1 44 ILE HB 3.000 . 3.500 2.287 2.124 2.434 . 0 0 "[ . 1 . 2 . ]" 1
147 1 44 ILE H 1 44 ILE MG 4.000 . 4.750 3.679 3.611 3.719 . 0 0 "[ . 1 . 2 . ]" 1
148 1 44 ILE H 1 44 ILE QG 4.000 . 4.750 2.452 1.908 3.211 . 0 0 "[ . 1 . 2 . ]" 1
149 1 44 ILE HA 1 44 ILE HB 3.000 . 3.500 3.031 3.012 3.041 . 0 0 "[ . 1 . 2 . ]" 1
150 1 44 ILE HA 1 44 ILE QG 3.000 . 3.500 2.330 2.073 2.472 . 0 0 "[ . 1 . 2 . ]" 1
151 1 44 ILE HB 1 44 ILE MD 3.000 . 3.500 2.100 1.893 2.353 . 0 0 "[ . 1 . 2 . ]" 1
152 1 44 ILE QG 1 44 ILE MG 3.000 . 3.500 2.077 1.865 2.322 . 0 0 "[ . 1 . 2 . ]" 1
153 1 46 ARG H 1 46 ARG QG 4.000 . 4.750 3.863 2.915 4.295 . 0 0 "[ . 1 . 2 . ]" 1
154 1 46 ARG H 1 46 ARG QD 5.000 . 6.000 4.570 2.906 5.222 . 0 0 "[ . 1 . 2 . ]" 1
155 1 46 ARG HA 1 46 ARG QG 3.000 . 3.500 2.144 1.896 2.641 . 0 0 "[ . 1 . 2 . ]" 1
156 1 46 ARG HA 1 46 ARG QD 4.000 . 4.750 3.501 2.283 4.117 . 0 0 "[ . 1 . 2 . ]" 1
157 1 46 ARG QB 1 46 ARG QD 3.000 . 3.500 2.064 1.894 2.353 . 0 0 "[ . 1 . 2 . ]" 1
158 1 47 ASN H 1 47 ASN HB3 4.000 . 4.750 3.611 3.397 3.758 . 0 0 "[ . 1 . 2 . ]" 1
159 1 47 ASN H 1 47 ASN HB2 3.000 . 3.500 2.413 2.181 2.569 . 0 0 "[ . 1 . 2 . ]" 1
160 1 47 ASN HA 1 47 ASN HB3 3.000 . 3.500 2.632 2.497 2.760 . 0 0 "[ . 1 . 2 . ]" 1
161 1 47 ASN HB3 1 47 ASN QD 3.000 . 3.500 2.697 2.232 3.099 . 0 0 "[ . 1 . 2 . ]" 1
162 1 47 ASN HB2 1 47 ASN QD 3.000 . 3.500 2.560 2.234 3.114 . 0 0 "[ . 1 . 2 . ]" 1
163 1 50 CYS H 1 50 CYS HB3 3.000 . 3.500 2.462 2.259 2.597 . 0 0 "[ . 1 . 2 . ]" 1
164 1 50 CYS H 1 50 CYS HB2 3.000 . 3.500 2.419 2.303 2.626 . 0 0 "[ . 1 . 2 . ]" 1
165 1 51 GLN H 1 51 GLN QB 3.000 . 3.500 2.377 2.102 2.706 . 0 0 "[ . 1 . 2 . ]" 1
166 1 51 GLN H 1 51 GLN QG 3.000 . 3.500 2.300 1.858 3.024 . 0 0 "[ . 1 . 2 . ]" 1
167 1 52 ILE H 1 52 ILE HB 3.000 . 3.500 2.361 2.182 2.570 . 0 0 "[ . 1 . 2 . ]" 1
168 1 52 ILE H 1 52 ILE MD 5.000 . 6.000 3.316 2.508 3.841 . 0 0 "[ . 1 . 2 . ]" 1
169 1 52 ILE H 1 52 ILE QG 4.000 . 4.750 2.220 1.854 2.699 . 0 0 "[ . 1 . 2 . ]" 1
170 1 52 ILE HA 1 52 ILE MG 3.000 . 3.500 2.376 2.225 2.544 . 0 0 "[ . 1 . 2 . ]" 1
171 1 52 ILE HA 1 52 ILE MD 4.000 . 4.750 2.720 1.836 3.886 . 0 0 "[ . 1 . 2 . ]" 1
172 1 52 ILE HA 1 52 ILE QG 3.000 . 3.500 2.656 2.251 3.065 . 0 0 "[ . 1 . 2 . ]" 1
173 1 53 CYS H 1 53 CYS HB3 4.000 . 4.750 3.025 2.831 3.288 . 0 0 "[ . 1 . 2 . ]" 1
174 1 53 CYS H 1 53 CYS HB2 4.000 . 4.750 3.666 3.621 3.720 . 0 0 "[ . 1 . 2 . ]" 1
175 1 53 CYS HA 1 53 CYS HB3 3.000 . 3.500 2.429 2.352 2.499 . 0 0 "[ . 1 . 2 . ]" 1
176 1 53 CYS HA 1 53 CYS HB2 3.000 . 3.500 2.525 2.452 2.615 . 0 0 "[ . 1 . 2 . ]" 1
177 1 55 VAL H 1 55 VAL HB 3.000 . 3.500 2.463 2.197 2.667 . 0 0 "[ . 1 . 2 . ]" 1
178 1 55 VAL H 1 55 VAL MG2 3.000 . 3.500 2.365 1.868 2.699 . 0 0 "[ . 1 . 2 . ]" 1
179 1 55 VAL HA 1 55 VAL MG1 3.000 . 3.500 2.299 2.173 2.501 . 0 0 "[ . 1 . 2 . ]" 1
180 1 55 VAL HA 1 55 VAL MG2 3.000 . 3.500 2.435 2.248 2.536 . 0 0 "[ . 1 . 2 . ]" 1
181 1 56 VAL H 1 56 VAL HB 3.000 . 3.500 2.489 2.264 2.694 . 0 0 "[ . 1 . 2 . ]" 1
182 1 56 VAL H 1 56 VAL MG2 3.000 . 3.500 2.066 1.840 2.407 . 0 0 "[ . 1 . 2 . ]" 1
183 1 56 VAL HA 1 56 VAL HB 3.000 . 3.500 3.027 3.007 3.036 . 0 0 "[ . 1 . 2 . ]" 1
184 1 56 VAL HA 1 56 VAL MG2 3.000 . 3.500 2.388 2.260 2.509 . 0 0 "[ . 1 . 2 . ]" 1
185 1 57 TYR H 1 57 TYR HB3 4.000 . 4.750 3.531 3.519 3.545 . 0 0 "[ . 1 . 2 . ]" 1
186 1 57 TYR H 1 57 TYR HB2 4.000 . 4.750 2.433 2.351 2.539 . 0 0 "[ . 1 . 2 . ]" 1
187 1 57 TYR H 1 57 TYR QD 3.000 . 3.500 2.943 2.702 3.029 . 0 0 "[ . 1 . 2 . ]" 1
188 1 57 TYR H 1 57 TYR QE 4.000 . 4.750 4.237 4.094 4.282 . 0 0 "[ . 1 . 2 . ]" 1
189 1 57 TYR HA 1 57 TYR QD 3.000 . 3.500 1.971 1.839 2.255 . 0 0 "[ . 1 . 2 . ]" 1
190 1 57 TYR HA 1 57 TYR QE 5.000 . 6.000 4.267 4.162 4.381 . 0 0 "[ . 1 . 2 . ]" 1
191 1 57 TYR HB3 1 57 TYR QD 3.000 . 3.500 2.741 2.621 2.784 . 0 0 "[ . 1 . 2 . ]" 1
192 1 57 TYR HB2 1 57 TYR QD 3.000 . 3.500 2.355 2.303 2.410 . 0 0 "[ . 1 . 2 . ]" 1
193 1 59 THR H 1 59 THR HB 4.000 . 4.750 3.632 3.463 3.836 . 0 0 "[ . 1 . 2 . ]" 1
194 1 60 ARG H 1 60 ARG QG 4.000 . 4.750 3.572 1.844 4.274 . 0 0 "[ . 1 . 2 . ]" 1
195 1 1 MET HA 1 2 GLU H 3.000 . 3.500 2.861 2.212 3.538 0.038 9 0 "[ . 1 . 2 . ]" 1
196 1 1 MET QB 1 2 GLU H 4.000 . 4.750 3.304 1.844 4.009 . 0 0 "[ . 1 . 2 . ]" 1
197 1 1 MET QG 1 2 GLU H 5.000 . 6.000 3.719 2.101 4.761 . 0 0 "[ . 1 . 2 . ]" 1
198 1 2 GLU H 1 3 ASP H 4.000 . 4.750 3.301 1.898 4.690 . 0 0 "[ . 1 . 2 . ]" 1
199 1 2 GLU HA 1 3 ASP H 3.000 . 3.500 3.187 2.332 3.570 0.070 26 0 "[ . 1 . 2 . ]" 1
200 1 2 GLU QB 1 3 ASP H 3.000 . 3.500 2.410 1.844 3.171 . 0 0 "[ . 1 . 2 . ]" 1
201 1 3 ASP HA 1 4 GLU H 3.000 . 3.500 2.960 2.340 3.558 0.058 2 0 "[ . 1 . 2 . ]" 1
202 1 3 ASP HA 1 4 GLU QG 4.000 . 4.750 3.789 3.146 4.349 . 0 0 "[ . 1 . 2 . ]" 1
203 1 3 ASP QB 1 4 GLU H 3.000 . 3.500 2.354 1.791 3.141 0.009 14 0 "[ . 1 . 2 . ]" 1
204 1 4 GLU H 1 5 ASP H 4.000 . 4.750 3.632 1.878 4.702 . 0 0 "[ . 1 . 2 . ]" 1
205 1 4 GLU HA 1 5 ASP H 4.000 . 4.750 3.024 2.243 3.594 . 0 0 "[ . 1 . 2 . ]" 1
206 1 4 GLU QB 1 5 ASP H 3.000 . 3.500 2.356 1.800 3.167 0.000 21 0 "[ . 1 . 2 . ]" 1
207 1 4 GLU QG 1 5 ASP H 4.000 . 4.750 3.810 2.649 4.231 . 0 0 "[ . 1 . 2 . ]" 1
208 1 5 ASP H 1 6 VAL H 4.000 . 4.750 4.393 3.830 4.701 . 0 0 "[ . 1 . 2 . ]" 1
209 1 5 ASP HA 1 6 VAL H 3.000 . 3.500 2.350 2.212 2.777 . 0 0 "[ . 1 . 2 . ]" 1
210 1 5 ASP HA 1 6 VAL HB 4.000 . 4.750 4.649 4.392 4.817 0.067 5 0 "[ . 1 . 2 . ]" 1
211 1 5 ASP HA 1 6 VAL MG2 5.000 . 6.000 3.457 3.022 3.898 . 0 0 "[ . 1 . 2 . ]" 1
212 1 5 ASP QB 1 6 VAL H 4.000 . 4.750 3.286 1.906 3.971 . 0 0 "[ . 1 . 2 . ]" 1
213 1 6 VAL H 1 7 PRO QD 5.000 . 6.000 4.152 3.813 4.417 . 0 0 "[ . 1 . 2 . ]" 1
214 1 6 VAL HA 1 7 PRO QD 3.000 . 3.500 1.935 1.885 2.062 . 0 0 "[ . 1 . 2 . ]" 1
215 1 6 VAL HB 1 7 PRO QD 4.000 . 4.750 4.092 3.674 4.292 . 0 0 "[ . 1 . 2 . ]" 1
216 1 6 VAL MG1 1 7 PRO QD 4.000 . 4.750 2.313 1.728 2.943 0.072 24 0 "[ . 1 . 2 . ]" 1
217 1 6 VAL MG2 1 7 PRO QD 5.000 . 6.000 3.519 3.119 3.761 . 0 0 "[ . 1 . 2 . ]" 1
218 1 7 PRO HA 1 8 VAL H 3.000 . 3.500 2.385 2.225 2.466 . 0 0 "[ . 1 . 2 . ]" 1
219 1 7 PRO QB 1 8 VAL H 3.000 . 3.500 2.744 2.692 3.046 . 0 0 "[ . 1 . 2 . ]" 1
220 1 7 PRO QG 1 8 VAL H 4.000 . 4.750 4.295 4.270 4.431 . 0 0 "[ . 1 . 2 . ]" 1
221 1 8 VAL HA 1 9 CYS H 3.000 . 3.500 2.257 2.196 2.308 . 0 0 "[ . 1 . 2 . ]" 1
222 1 8 VAL HB 1 9 CYS H 4.000 . 4.750 3.889 3.579 3.990 . 0 0 "[ . 1 . 2 . ]" 1
223 1 8 VAL MG1 1 9 CYS H 4.000 . 4.750 2.324 2.023 2.760 . 0 0 "[ . 1 . 2 . ]" 1
224 1 8 VAL MG2 1 9 CYS H 5.000 . 6.000 4.182 4.045 4.303 . 0 0 "[ . 1 . 2 . ]" 1
225 1 9 CYS H 1 10 TRP H 5.000 . 6.000 4.482 4.396 4.569 . 0 0 "[ . 1 . 2 . ]" 1
226 1 9 CYS HA 1 10 TRP H 3.000 . 3.500 2.189 2.173 2.211 . 0 0 "[ . 1 . 2 . ]" 1
227 1 9 CYS HA 1 10 TRP HD1 5.000 . 6.000 3.331 3.117 3.534 . 0 0 "[ . 1 . 2 . ]" 1
228 1 9 CYS HB3 1 10 TRP H 4.000 . 4.750 4.410 4.292 4.538 . 0 0 "[ . 1 . 2 . ]" 1
229 1 9 CYS HB2 1 10 TRP H 4.000 . 4.750 4.337 4.248 4.419 . 0 0 "[ . 1 . 2 . ]" 1
230 1 10 TRP H 1 11 ILE H 3.000 . 3.500 2.740 2.602 2.908 . 0 0 "[ . 1 . 2 . ]" 1
231 1 10 TRP H 1 11 ILE HG13 5.000 . 6.000 3.702 3.496 3.908 . 0 0 "[ . 1 . 2 . ]" 1
232 1 10 TRP HA 1 11 ILE H 4.000 . 4.750 3.461 3.397 3.498 . 0 0 "[ . 1 . 2 . ]" 1
233 1 10 TRP HB3 1 11 ILE H 4.000 . 4.750 4.175 4.089 4.271 . 0 0 "[ . 1 . 2 . ]" 1
234 1 10 TRP HB2 1 11 ILE H 4.000 . 4.750 4.080 3.984 4.167 . 0 0 "[ . 1 . 2 . ]" 1
235 1 10 TRP HD1 1 11 ILE H 5.000 . 6.000 3.866 3.630 4.168 . 0 0 "[ . 1 . 2 . ]" 1
236 1 10 TRP HE3 1 11 ILE HA 3.000 . 3.500 3.149 2.906 3.499 . 0 0 "[ . 1 . 2 . ]" 1
237 1 10 TRP HE3 1 11 ILE HG13 5.000 . 6.000 4.257 3.708 4.774 . 0 0 "[ . 1 . 2 . ]" 1
238 1 10 TRP HE3 1 11 ILE HG12 5.000 . 6.000 3.341 3.108 3.610 . 0 0 "[ . 1 . 2 . ]" 1
239 1 10 TRP HE3 1 11 ILE MD 5.000 . 6.000 4.823 4.640 5.009 . 0 0 "[ . 1 . 2 . ]" 1
240 1 10 TRP HZ2 1 11 ILE MD 5.000 . 6.000 2.386 2.074 2.779 . 0 0 "[ . 1 . 2 . ]" 1
241 1 10 TRP HZ3 1 11 ILE HA 5.000 . 6.000 3.740 3.447 4.129 . 0 0 "[ . 1 . 2 . ]" 1
242 1 10 TRP HZ3 1 11 ILE HG13 5.000 . 6.000 4.893 4.395 5.542 . 0 0 "[ . 1 . 2 . ]" 1
243 1 10 TRP HZ3 1 11 ILE HG12 5.000 . 6.000 3.287 2.947 3.867 . 0 0 "[ . 1 . 2 . ]" 1
244 1 10 TRP HZ3 1 11 ILE MD 5.000 . 6.000 4.333 3.960 4.655 . 0 0 "[ . 1 . 2 . ]" 1
245 1 10 TRP HH2 1 11 ILE MD 5.000 . 6.000 3.264 2.927 3.559 . 0 0 "[ . 1 . 2 . ]" 1
246 1 11 ILE H 1 12 CYS H 3.000 . 3.500 2.731 2.644 2.810 . 0 0 "[ . 1 . 2 . ]" 1
247 1 11 ILE H 1 12 CYS HB3 5.000 . 6.000 5.375 5.166 5.588 . 0 0 "[ . 1 . 2 . ]" 1
248 1 11 ILE HA 1 12 CYS H 4.000 . 4.750 3.602 3.595 3.612 . 0 0 "[ . 1 . 2 . ]" 1
249 1 11 ILE HB 1 12 CYS H 3.000 . 3.500 2.160 2.116 2.225 . 0 0 "[ . 1 . 2 . ]" 1
250 1 11 ILE HB 1 12 CYS HB3 5.000 . 6.000 3.706 3.518 3.903 . 0 0 "[ . 1 . 2 . ]" 1
251 1 11 ILE HG13 1 12 CYS H 5.000 . 6.000 3.912 3.787 4.120 . 0 0 "[ . 1 . 2 . ]" 1
252 1 11 ILE HG12 1 12 CYS H 5.000 . 6.000 4.660 4.553 4.754 . 0 0 "[ . 1 . 2 . ]" 1
253 1 11 ILE MG 1 12 CYS H 4.000 . 4.750 3.278 3.049 3.375 . 0 0 "[ . 1 . 2 . ]" 1
254 1 11 ILE MG 1 12 CYS HB3 5.000 . 6.000 3.505 3.127 3.637 . 0 0 "[ . 1 . 2 . ]" 1
255 1 11 ILE MG 1 12 CYS HB2 5.000 . 6.000 4.891 4.530 5.015 . 0 0 "[ . 1 . 2 . ]" 1
256 1 12 CYS H 1 13 ASN H 3.000 . 3.500 2.315 2.236 2.384 . 0 0 "[ . 1 . 2 . ]" 1
257 1 12 CYS HA 1 13 ASN H 4.000 . 4.750 3.318 3.281 3.370 . 0 0 "[ . 1 . 2 . ]" 1
258 1 12 CYS HB3 1 13 ASN H 5.000 . 6.000 4.317 4.175 4.431 . 0 0 "[ . 1 . 2 . ]" 1
259 1 12 CYS HB2 1 13 ASN H 4.000 . 4.750 4.302 4.206 4.395 . 0 0 "[ . 1 . 2 . ]" 1
260 1 13 ASN H 1 14 GLU H 3.000 . 3.500 2.910 2.724 3.147 . 0 0 "[ . 1 . 2 . ]" 1
261 1 13 ASN HA 1 14 GLU H 4.000 . 4.750 2.691 2.444 2.860 . 0 0 "[ . 1 . 2 . ]" 1
262 1 13 ASN QB 1 14 GLU H 5.000 . 6.000 3.925 3.854 3.974 . 0 0 "[ . 1 . 2 . ]" 1
263 1 14 GLU H 1 15 GLU H 5.000 . 6.000 4.310 3.946 4.423 . 0 0 "[ . 1 . 2 . ]" 1
264 1 14 GLU HA 1 15 GLU H 3.000 . 3.500 2.229 2.197 2.260 . 0 0 "[ . 1 . 2 . ]" 1
265 1 14 GLU QB 1 15 GLU H 4.000 . 4.750 3.784 3.709 3.912 . 0 0 "[ . 1 . 2 . ]" 1
266 1 14 GLU QG 1 15 GLU H 3.000 . 3.500 2.641 2.307 3.124 . 0 0 "[ . 1 . 2 . ]" 1
267 1 14 GLU QG 1 15 GLU HA 4.000 . 4.750 4.212 4.100 4.277 . 0 0 "[ . 1 . 2 . ]" 1
268 1 15 GLU H 1 16 LEU H 5.000 . 6.000 4.644 4.612 4.664 . 0 0 "[ . 1 . 2 . ]" 1
269 1 15 GLU HA 1 16 LEU H 3.000 . 3.500 2.226 2.194 2.255 . 0 0 "[ . 1 . 2 . ]" 1
270 1 15 GLU HA 1 16 LEU MD1 5.000 . 6.000 4.872 2.173 5.133 . 0 0 "[ . 1 . 2 . ]" 1
271 1 15 GLU HA 1 16 LEU MD2 5.000 . 6.000 2.608 2.400 3.186 . 0 0 "[ . 1 . 2 . ]" 1
272 1 15 GLU QB 1 16 LEU H 5.000 . 6.000 3.216 2.588 3.492 . 0 0 "[ . 1 . 2 . ]" 1
273 1 15 GLU QG 1 16 LEU H 4.000 . 4.750 3.480 3.151 4.275 . 0 0 "[ . 1 . 2 . ]" 1
274 1 16 LEU H 1 17 GLY H 4.000 . 4.750 1.908 1.777 2.223 0.023 2 0 "[ . 1 . 2 . ]" 1
275 1 16 LEU HA 1 17 GLY H 4.000 . 4.750 3.444 3.264 3.520 . 0 0 "[ . 1 . 2 . ]" 1
276 1 16 LEU HB3 1 17 GLY H 4.000 . 4.750 4.220 4.044 4.556 . 0 0 "[ . 1 . 2 . ]" 1
277 1 16 LEU HB2 1 17 GLY H 4.000 . 4.750 3.845 3.323 4.322 . 0 0 "[ . 1 . 2 . ]" 1
278 1 16 LEU HG 1 17 GLY H 5.000 . 6.000 2.543 1.960 5.013 . 0 0 "[ . 1 . 2 . ]" 1
279 1 16 LEU MD1 1 17 GLY H 5.000 . 6.000 3.982 3.562 4.497 . 0 0 "[ . 1 . 2 . ]" 1
280 1 16 LEU MD2 1 17 GLY H 5.000 . 6.000 2.961 1.781 3.709 0.019 5 0 "[ . 1 . 2 . ]" 1
281 1 17 GLY H 1 18 ASN H 4.000 . 4.750 3.111 2.625 3.257 . 0 0 "[ . 1 . 2 . ]" 1
282 1 17 GLY QA 1 18 ASN H 4.000 . 4.750 2.846 2.808 2.909 . 0 0 "[ . 1 . 2 . ]" 1
283 1 18 ASN H 1 19 GLU H 4.000 . 4.750 2.254 1.874 2.830 . 0 0 "[ . 1 . 2 . ]" 1
284 1 18 ASN HA 1 19 GLU H 4.000 . 4.750 2.761 2.462 3.014 . 0 0 "[ . 1 . 2 . ]" 1
285 1 18 ASN QB 1 19 GLU H 5.000 . 6.000 4.006 3.832 4.101 . 0 0 "[ . 1 . 2 . ]" 1
286 1 18 ASN QD 1 19 GLU H 5.000 . 6.000 4.570 2.894 5.355 . 0 0 "[ . 1 . 2 . ]" 1
287 1 19 GLU H 1 20 ARG H 4.000 . 4.750 4.443 4.310 4.569 . 0 0 "[ . 1 . 2 . ]" 1
288 1 19 GLU HA 1 20 ARG H 3.000 . 3.500 2.238 2.183 2.274 . 0 0 "[ . 1 . 2 . ]" 1
289 1 19 GLU QB 1 20 ARG H 5.000 . 6.000 3.829 3.449 4.005 . 0 0 "[ . 1 . 2 . ]" 1
290 1 19 GLU QG 1 20 ARG H 5.000 . 6.000 3.640 2.785 4.509 . 0 0 "[ . 1 . 2 . ]" 1
291 1 20 ARG H 1 21 PHE H 5.000 . 6.000 4.252 4.216 4.289 . 0 0 "[ . 1 . 2 . ]" 1
292 1 20 ARG HA 1 21 PHE H 3.000 . 3.500 2.285 2.258 2.303 . 0 0 "[ . 1 . 2 . ]" 1
293 1 20 ARG QB 1 21 PHE H 4.000 . 4.750 3.877 3.756 4.032 . 0 0 "[ . 1 . 2 . ]" 1
294 1 20 ARG QG 1 21 PHE H 5.000 . 6.000 3.964 3.410 4.793 . 0 0 "[ . 1 . 2 . ]" 1
295 1 20 ARG QD 1 21 PHE H 5.000 . 6.000 4.837 3.628 5.415 . 0 0 "[ . 1 . 2 . ]" 1
296 1 21 PHE HA 1 22 ARG H 3.000 . 3.500 2.283 2.226 2.309 . 0 0 "[ . 1 . 2 . ]" 1
297 1 21 PHE HB3 1 22 ARG H 4.000 . 4.750 4.526 4.428 4.580 . 0 0 "[ . 1 . 2 . ]" 1
298 1 21 PHE HB2 1 22 ARG H 4.000 . 4.750 4.527 4.443 4.581 . 0 0 "[ . 1 . 2 . ]" 1
299 1 21 PHE QD 1 22 ARG H 3.000 . 3.500 2.531 2.132 2.696 . 0 0 "[ . 1 . 2 . ]" 1
300 1 21 PHE QE 1 22 ARG H 5.000 . 6.000 4.453 4.017 4.577 . 0 0 "[ . 1 . 2 . ]" 1
301 1 22 ARG HA 1 23 ALA H 3.000 . 3.500 2.319 2.236 2.369 . 0 0 "[ . 1 . 2 . ]" 1
302 1 22 ARG QB 1 23 ALA H 4.000 . 4.750 3.889 3.707 4.054 . 0 0 "[ . 1 . 2 . ]" 1
303 1 22 ARG QG 1 23 ALA H 5.000 . 6.000 4.095 3.129 4.712 . 0 0 "[ . 1 . 2 . ]" 1
304 1 23 ALA H 1 24 CYS H 3.000 . 3.500 2.076 1.836 3.142 . 0 0 "[ . 1 . 2 . ]" 1
305 1 23 ALA HA 1 24 CYS H 4.000 . 4.750 3.412 3.307 3.548 . 0 0 "[ . 1 . 2 . ]" 1
306 1 23 ALA MB 1 24 CYS H 4.000 . 4.750 3.001 1.870 3.292 . 0 0 "[ . 1 . 2 . ]" 1
307 1 23 ALA MB 1 24 CYS HB2 5.000 . 6.000 3.685 2.873 4.163 . 0 0 "[ . 1 . 2 . ]" 1
308 1 24 CYS H 1 25 GLY H 5.000 . 6.000 4.353 4.247 4.528 . 0 0 "[ . 1 . 2 . ]" 1
309 1 24 CYS HA 1 25 GLY H 4.000 . 4.750 2.515 2.302 2.848 . 0 0 "[ . 1 . 2 . ]" 1
310 1 24 CYS HB3 1 25 GLY H 4.000 . 4.750 3.573 2.082 4.265 . 0 0 "[ . 1 . 2 . ]" 1
311 1 24 CYS HB2 1 25 GLY H 3.000 . 3.500 3.562 3.509 3.672 0.172 9 0 "[ . 1 . 2 . ]" 1
312 1 25 GLY QA 1 26 CYS H 3.000 . 3.500 2.667 2.504 2.881 . 0 0 "[ . 1 . 2 . ]" 1
313 1 26 CYS H 1 27 THR H 4.000 . 4.750 4.333 3.601 4.728 . 0 0 "[ . 1 . 2 . ]" 1
314 1 26 CYS HA 1 27 THR H 3.000 . 3.500 2.986 2.678 3.460 . 0 0 "[ . 1 . 2 . ]" 1
315 1 26 CYS HB3 1 27 THR H 3.000 . 3.500 1.947 1.747 2.256 0.053 14 0 "[ . 1 . 2 . ]" 1
316 1 26 CYS HB2 1 27 THR H 4.000 . 4.750 3.075 1.911 3.689 . 0 0 "[ . 1 . 2 . ]" 1
317 1 27 THR H 1 28 GLY H 5.000 . 6.000 2.225 1.862 2.647 . 0 0 "[ . 1 . 2 . ]" 1
318 1 27 THR HA 1 28 GLY H 4.000 . 4.750 3.236 3.020 3.470 . 0 0 "[ . 1 . 2 . ]" 1
319 1 27 THR HB 1 28 GLY H 4.000 . 4.750 3.961 3.155 4.591 . 0 0 "[ . 1 . 2 . ]" 1
320 1 27 THR MG 1 28 GLY H 5.000 . 6.000 4.029 2.811 4.469 . 0 0 "[ . 1 . 2 . ]" 1
321 1 28 GLY H 1 29 GLU H 5.000 . 6.000 3.491 2.692 4.273 . 0 0 "[ . 1 . 2 . ]" 1
322 1 28 GLY QA 1 29 GLU H 4.000 . 4.750 2.346 2.117 2.581 . 0 0 "[ . 1 . 2 . ]" 1
323 1 29 GLU H 1 30 LEU H 4.000 . 4.750 2.984 2.615 3.278 . 0 0 "[ . 1 . 2 . ]" 1
324 1 29 GLU HA 1 30 LEU H 4.000 . 4.750 3.574 3.519 3.600 . 0 0 "[ . 1 . 2 . ]" 1
325 1 29 GLU QB 1 30 LEU H 4.000 . 4.750 3.083 1.993 3.535 . 0 0 "[ . 1 . 2 . ]" 1
326 1 29 GLU QB 1 30 LEU MD2 5.000 . 6.000 4.436 4.267 4.527 . 0 0 "[ . 1 . 2 . ]" 1
327 1 29 GLU QG 1 30 LEU H 4.000 . 4.750 2.012 1.737 3.446 0.063 19 0 "[ . 1 . 2 . ]" 1
328 1 29 GLU QG 1 30 LEU MD1 5.000 . 6.000 4.300 1.824 4.528 . 0 0 "[ . 1 . 2 . ]" 1
329 1 29 GLU QG 1 30 LEU MD2 5.000 . 6.000 2.914 2.593 4.470 . 0 0 "[ . 1 . 2 . ]" 1
330 1 30 LEU HA 1 31 GLU H 3.000 . 3.500 3.465 3.376 3.545 0.045 1 0 "[ . 1 . 2 . ]" 1
331 1 30 LEU HG 1 31 GLU H 5.000 . 6.000 5.361 4.817 5.619 . 0 0 "[ . 1 . 2 . ]" 1
332 1 30 LEU MD1 1 31 GLU H 5.000 . 6.000 3.969 3.598 4.151 . 0 0 "[ . 1 . 2 . ]" 1
333 1 30 LEU QB 1 31 GLU H 5.000 . 6.000 2.993 2.595 3.193 . 0 0 "[ . 1 . 2 . ]" 1
334 1 31 GLU H 1 32 ASN H 3.000 . 3.500 2.767 2.526 2.988 . 0 0 "[ . 1 . 2 . ]" 1
335 1 31 GLU HA 1 32 ASN H 5.000 . 6.000 3.571 3.481 3.605 . 0 0 "[ . 1 . 2 . ]" 1
336 1 31 GLU QB 1 32 ASN H 5.000 . 6.000 2.575 2.180 2.919 . 0 0 "[ . 1 . 2 . ]" 1
337 1 31 GLU QG 1 32 ASN H 5.000 . 6.000 4.250 3.247 4.509 . 0 0 "[ . 1 . 2 . ]" 1
338 1 32 ASN H 1 33 VAL H 4.000 . 4.750 4.363 4.226 4.485 . 0 0 "[ . 1 . 2 . ]" 1
339 1 32 ASN HA 1 33 VAL H 3.000 . 3.500 2.227 2.209 2.257 . 0 0 "[ . 1 . 2 . ]" 1
340 1 32 ASN HB3 1 33 VAL H 4.000 . 4.750 3.634 3.581 3.706 . 0 0 "[ . 1 . 2 . ]" 1
341 1 32 ASN HB2 1 33 VAL H 5.000 . 6.000 4.253 4.142 4.432 . 0 0 "[ . 1 . 2 . ]" 1
342 1 33 VAL HA 1 34 HIS H 3.000 . 3.500 2.236 2.202 2.277 . 0 0 "[ . 1 . 2 . ]" 1
343 1 33 VAL HB 1 34 HIS H 4.000 . 4.750 4.116 3.981 4.304 . 0 0 "[ . 1 . 2 . ]" 1
344 1 33 VAL MG1 1 34 HIS H 5.000 . 6.000 3.977 3.765 4.118 . 0 0 "[ . 1 . 2 . ]" 1
345 1 33 VAL MG2 1 34 HIS H 4.000 . 4.750 2.380 2.116 2.643 . 0 0 "[ . 1 . 2 . ]" 1
346 1 33 VAL MG2 1 34 HIS HB2 5.000 . 6.000 3.459 3.264 3.655 . 0 0 "[ . 1 . 2 . ]" 1
347 1 34 HIS H 1 35 ARG H 5.000 . 6.000 4.566 4.464 4.618 . 0 0 "[ . 1 . 2 . ]" 1
348 1 34 HIS HA 1 35 ARG H 3.000 . 3.500 2.232 2.210 2.256 . 0 0 "[ . 1 . 2 . ]" 1
349 1 34 HIS HB3 1 35 ARG H 4.000 . 4.750 3.570 3.388 3.839 . 0 0 "[ . 1 . 2 . ]" 1
350 1 34 HIS HB2 1 35 ARG H 5.000 . 6.000 4.397 4.178 4.577 . 0 0 "[ . 1 . 2 . ]" 1
351 1 34 HIS HD2 1 35 ARG H 5.000 . 6.000 4.167 3.610 4.889 . 0 0 "[ . 1 . 2 . ]" 1
352 1 35 ARG H 1 36 SER H 4.000 . 4.750 2.600 2.506 2.736 . 0 0 "[ . 1 . 2 . ]" 1
353 1 35 ARG HA 1 36 SER H 5.000 . 6.000 3.433 3.420 3.445 . 0 0 "[ . 1 . 2 . ]" 1
354 1 35 ARG HB3 1 36 SER H 4.000 . 4.750 3.116 2.996 3.313 . 0 0 "[ . 1 . 2 . ]" 1
355 1 35 ARG HB2 1 36 SER H 5.000 . 6.000 4.051 3.676 4.248 . 0 0 "[ . 1 . 2 . ]" 1
356 1 35 ARG QG 1 36 SER H 5.000 . 6.000 4.060 3.668 4.615 . 0 0 "[ . 1 . 2 . ]" 1
357 1 35 ARG QD 1 36 SER H 5.000 . 6.000 5.253 4.468 5.417 . 0 0 "[ . 1 . 2 . ]" 1
358 1 36 SER H 1 37 CYS H 4.000 . 4.750 2.818 2.665 2.922 . 0 0 "[ . 1 . 2 . ]" 1
359 1 36 SER HA 1 37 CYS H 5.000 . 6.000 3.605 3.586 3.617 . 0 0 "[ . 1 . 2 . ]" 1
360 1 36 SER QB 1 37 CYS H 4.000 . 4.750 2.397 2.020 3.064 . 0 0 "[ . 1 . 2 . ]" 1
361 1 37 CYS H 1 38 LEU H 4.000 . 4.750 2.559 2.447 2.630 . 0 0 "[ . 1 . 2 . ]" 1
362 1 37 CYS HA 1 38 LEU H 4.000 . 4.750 3.526 3.493 3.572 . 0 0 "[ . 1 . 2 . ]" 1
363 1 37 CYS HB3 1 38 LEU H 4.000 . 4.750 4.249 4.009 4.408 . 0 0 "[ . 1 . 2 . ]" 1
364 1 37 CYS HB2 1 38 LEU H 4.000 . 4.750 3.817 3.534 3.943 . 0 0 "[ . 1 . 2 . ]" 1
365 1 38 LEU H 1 39 SER H 3.000 . 3.500 2.744 2.674 2.818 . 0 0 "[ . 1 . 2 . ]" 1
366 1 38 LEU HA 1 39 SER H 4.000 . 4.750 3.591 3.583 3.600 . 0 0 "[ . 1 . 2 . ]" 1
367 1 38 LEU HB3 1 39 SER H 3.000 . 3.500 2.261 2.208 2.342 . 0 0 "[ . 1 . 2 . ]" 1
368 1 38 LEU HB2 1 39 SER H 4.000 . 4.750 3.736 3.700 3.794 . 0 0 "[ . 1 . 2 . ]" 1
369 1 38 LEU HG 1 39 SER H 5.000 . 6.000 2.768 2.659 2.887 . 0 0 "[ . 1 . 2 . ]" 1
370 1 38 LEU MD1 1 39 SER H 5.000 . 6.000 3.719 3.617 3.875 . 0 0 "[ . 1 . 2 . ]" 1
371 1 38 LEU MD2 1 39 SER H 5.000 . 6.000 3.946 3.809 4.029 . 0 0 "[ . 1 . 2 . ]" 1
372 1 39 SER H 1 40 THR H 4.000 . 4.750 2.831 2.750 2.906 . 0 0 "[ . 1 . 2 . ]" 1
373 1 39 SER HA 1 40 THR H 4.000 . 4.750 3.553 3.521 3.579 . 0 0 "[ . 1 . 2 . ]" 1
374 1 39 SER QB 1 40 THR H 4.000 . 4.750 2.829 2.425 3.499 . 0 0 "[ . 1 . 2 . ]" 1
375 1 40 THR H 1 41 TRP H 4.000 . 4.750 2.422 2.327 2.541 . 0 0 "[ . 1 . 2 . ]" 1
376 1 40 THR H 1 41 TRP HB3 5.000 . 6.000 4.238 4.123 4.391 . 0 0 "[ . 1 . 2 . ]" 1
377 1 40 THR H 1 41 TRP HB2 5.000 . 6.000 5.006 4.897 5.197 . 0 0 "[ . 1 . 2 . ]" 1
378 1 40 THR HA 1 41 TRP H 4.000 . 4.750 3.553 3.525 3.575 . 0 0 "[ . 1 . 2 . ]" 1
379 1 40 THR HB 1 41 TRP H 4.000 . 4.750 3.755 3.481 3.935 . 0 0 "[ . 1 . 2 . ]" 1
380 1 40 THR MG 1 41 TRP H 5.000 . 6.000 2.198 1.788 3.901 0.012 21 0 "[ . 1 . 2 . ]" 1
381 1 41 TRP H 1 42 LEU H 4.000 . 4.750 2.893 2.779 2.990 . 0 0 "[ . 1 . 2 . ]" 1
382 1 41 TRP H 1 42 LEU HB3 5.000 . 6.000 5.373 5.229 5.489 . 0 0 "[ . 1 . 2 . ]" 1
383 1 41 TRP H 1 42 LEU MD2 5.000 . 6.000 4.217 4.050 4.384 . 0 0 "[ . 1 . 2 . ]" 1
384 1 41 TRP HA 1 42 LEU H 5.000 . 6.000 3.598 3.589 3.610 . 0 0 "[ . 1 . 2 . ]" 1
385 1 41 TRP HB3 1 42 LEU H 4.000 . 4.750 2.373 2.303 2.492 . 0 0 "[ . 1 . 2 . ]" 1
386 1 41 TRP HB2 1 42 LEU H 4.000 . 4.750 3.798 3.761 3.842 . 0 0 "[ . 1 . 2 . ]" 1
387 1 41 TRP HD1 1 42 LEU H 5.000 . 6.000 5.062 4.941 5.175 . 0 0 "[ . 1 . 2 . ]" 1
388 1 41 TRP HE3 1 42 LEU H 5.000 . 6.000 2.176 1.984 2.401 . 0 0 "[ . 1 . 2 . ]" 1
389 1 41 TRP HE3 1 42 LEU HA 4.000 . 4.750 3.472 3.181 3.687 . 0 0 "[ . 1 . 2 . ]" 1
390 1 41 TRP HE3 1 42 LEU HB3 5.000 . 6.000 2.521 2.343 2.872 . 0 0 "[ . 1 . 2 . ]" 1
391 1 41 TRP HE3 1 42 LEU HG 4.000 . 4.750 3.483 3.222 3.731 . 0 0 "[ . 1 . 2 . ]" 1
392 1 41 TRP HE3 1 42 LEU MD1 5.000 . 6.000 4.691 4.526 4.912 . 0 0 "[ . 1 . 2 . ]" 1
393 1 41 TRP HE3 1 42 LEU MD2 4.000 . 4.750 3.016 2.869 3.267 . 0 0 "[ . 1 . 2 . ]" 1
394 1 41 TRP HZ3 1 42 LEU HB2 5.000 . 6.000 4.260 3.922 4.811 . 0 0 "[ . 1 . 2 . ]" 1
395 1 41 TRP HZ3 1 42 LEU MD2 4.000 . 4.750 3.478 3.079 3.913 . 0 0 "[ . 1 . 2 . ]" 1
396 1 42 LEU H 1 43 THR H 4.000 . 4.750 2.772 2.708 2.845 . 0 0 "[ . 1 . 2 . ]" 1
397 1 42 LEU HA 1 43 THR H 4.000 . 4.750 3.526 3.490 3.564 . 0 0 "[ . 1 . 2 . ]" 1
398 1 42 LEU HB3 1 43 THR H 4.000 . 4.750 4.071 3.952 4.140 . 0 0 "[ . 1 . 2 . ]" 1
399 1 42 LEU HB2 1 43 THR H 4.000 . 4.750 3.738 3.533 3.918 . 0 0 "[ . 1 . 2 . ]" 1
400 1 42 LEU HG 1 43 THR H 4.000 . 4.750 2.196 1.965 2.320 . 0 0 "[ . 1 . 2 . ]" 1
401 1 43 THR MG 1 44 ILE HA 5.000 . 6.000 3.569 3.181 4.392 . 0 0 "[ . 1 . 2 . ]" 1
402 1 43 THR MG 1 44 ILE MD 5.000 . 6.000 3.846 2.958 4.165 . 0 0 "[ . 1 . 2 . ]" 1
403 1 44 ILE H 1 45 SER H 3.000 . 3.500 2.510 2.381 2.741 . 0 0 "[ . 1 . 2 . ]" 1
404 1 44 ILE HA 1 45 SER H 4.000 . 4.750 3.555 3.471 3.586 . 0 0 "[ . 1 . 2 . ]" 1
405 1 44 ILE HB 1 45 SER H 4.000 . 4.750 2.610 2.352 2.998 . 0 0 "[ . 1 . 2 . ]" 1
406 1 44 ILE MG 1 45 SER QB 5.000 . 6.000 3.821 3.226 4.418 . 0 0 "[ . 1 . 2 . ]" 1
407 1 45 SER H 1 46 ARG H 4.000 . 4.750 2.453 2.216 2.584 . 0 0 "[ . 1 . 2 . ]" 1
408 1 45 SER HA 1 46 ARG H 3.000 . 3.500 3.359 3.207 3.483 . 0 0 "[ . 1 . 2 . ]" 1
409 1 45 SER QB 1 46 ARG H 5.000 . 6.000 3.321 2.841 3.827 . 0 0 "[ . 1 . 2 . ]" 1
410 1 46 ARG H 1 47 ASN H 3.000 . 3.500 3.049 2.805 3.392 . 0 0 "[ . 1 . 2 . ]" 1
411 1 46 ARG HA 1 47 ASN H 3.000 . 3.500 2.565 2.413 2.874 . 0 0 "[ . 1 . 2 . ]" 1
412 1 46 ARG QB 1 47 ASN H 4.000 . 4.750 3.988 3.894 4.073 . 0 0 "[ . 1 . 2 . ]" 1
413 1 46 ARG QG 1 47 ASN H 4.000 . 4.750 4.109 3.765 4.283 . 0 0 "[ . 1 . 2 . ]" 1
414 1 47 ASN H 1 48 THR H 5.000 . 6.000 3.620 2.025 4.549 . 0 0 "[ . 1 . 2 . ]" 1
415 1 47 ASN HA 1 48 THR H 3.000 . 3.500 2.817 2.239 3.566 0.066 18 0 "[ . 1 . 2 . ]" 1
416 1 47 ASN HB3 1 48 THR H 4.000 . 4.750 2.876 2.348 3.320 . 0 0 "[ . 1 . 2 . ]" 1
417 1 47 ASN HB2 1 48 THR H 5.000 . 6.000 3.437 2.164 4.313 . 0 0 "[ . 1 . 2 . ]" 1
418 1 48 THR H 1 49 ALA H 3.000 . 3.500 2.358 1.844 3.380 . 0 0 "[ . 1 . 2 . ]" 1
419 1 48 THR H 1 49 ALA MB 5.000 . 6.000 4.349 3.779 5.108 . 0 0 "[ . 1 . 2 . ]" 1
420 1 48 THR HA 1 49 ALA H 4.000 . 4.750 3.500 3.375 3.585 . 0 0 "[ . 1 . 2 . ]" 1
421 1 48 THR HB 1 49 ALA H 4.000 . 4.750 3.958 2.727 4.454 . 0 0 "[ . 1 . 2 . ]" 1
422 1 48 THR MG 1 49 ALA H 5.000 . 6.000 3.854 3.427 4.210 . 0 0 "[ . 1 . 2 . ]" 1
423 1 49 ALA H 1 50 CYS H 4.000 . 4.750 4.361 4.250 4.442 . 0 0 "[ . 1 . 2 . ]" 1
424 1 49 ALA HA 1 50 CYS H 3.000 . 3.500 2.264 2.194 2.333 . 0 0 "[ . 1 . 2 . ]" 1
425 1 49 ALA MB 1 50 CYS H 4.000 . 4.750 2.952 2.741 3.181 . 0 0 "[ . 1 . 2 . ]" 1
426 1 50 CYS H 1 51 GLN H 5.000 . 6.000 4.625 4.481 4.710 . 0 0 "[ . 1 . 2 . ]" 1
427 1 50 CYS HA 1 51 GLN H 3.000 . 3.500 2.255 2.208 2.342 . 0 0 "[ . 1 . 2 . ]" 1
428 1 50 CYS HB3 1 51 GLN H 5.000 . 6.000 4.166 3.815 4.370 . 0 0 "[ . 1 . 2 . ]" 1
429 1 50 CYS HB2 1 51 GLN H 5.000 . 6.000 4.271 3.950 4.514 . 0 0 "[ . 1 . 2 . ]" 1
430 1 51 GLN H 1 52 ILE H 4.000 . 4.750 2.440 2.164 2.700 . 0 0 "[ . 1 . 2 . ]" 1
431 1 51 GLN H 1 52 ILE QG 5.000 . 6.000 3.459 3.175 3.861 . 0 0 "[ . 1 . 2 . ]" 1
432 1 51 GLN HA 1 52 ILE H 4.000 . 4.750 3.368 3.225 3.517 . 0 0 "[ . 1 . 2 . ]" 1
433 1 51 GLN QB 1 52 ILE H 5.000 . 6.000 3.513 2.814 3.916 . 0 0 "[ . 1 . 2 . ]" 1
434 1 51 GLN QG 1 52 ILE H 5.000 . 6.000 3.317 1.853 4.520 . 0 0 "[ . 1 . 2 . ]" 1
435 1 52 ILE H 1 53 CYS H 3.000 . 3.500 2.568 2.186 3.007 . 0 0 "[ . 1 . 2 . ]" 1
436 1 52 ILE HA 1 53 CYS H 4.000 . 4.750 3.581 3.559 3.601 . 0 0 "[ . 1 . 2 . ]" 1
437 1 52 ILE HB 1 53 CYS H 3.000 . 3.500 2.433 2.204 2.635 . 0 0 "[ . 1 . 2 . ]" 1
438 1 52 ILE MG 1 53 CYS H 4.000 . 4.750 3.259 2.832 3.499 . 0 0 "[ . 1 . 2 . ]" 1
439 1 52 ILE MG 1 53 CYS HA 5.000 . 6.000 3.753 3.476 3.974 . 0 0 "[ . 1 . 2 . ]" 1
440 1 52 ILE MG 1 53 CYS HB3 5.000 . 6.000 3.189 2.752 3.569 . 0 0 "[ . 1 . 2 . ]" 1
441 1 52 ILE MG 1 53 CYS HB2 5.000 . 6.000 4.658 4.286 4.989 . 0 0 "[ . 1 . 2 . ]" 1
442 1 52 ILE MD 1 53 CYS H 5.000 . 6.000 4.405 3.861 4.632 . 0 0 "[ . 1 . 2 . ]" 1
443 1 52 ILE QG 1 53 CYS H 4.000 . 4.750 3.977 3.748 4.219 . 0 0 "[ . 1 . 2 . ]" 1
444 1 53 CYS H 1 54 GLY H 3.000 . 3.500 1.952 1.880 2.106 . 0 0 "[ . 1 . 2 . ]" 1
445 1 53 CYS H 1 54 GLY QA 5.000 . 6.000 4.006 3.929 4.145 . 0 0 "[ . 1 . 2 . ]" 1
446 1 53 CYS HA 1 54 GLY H 5.000 . 6.000 3.456 3.411 3.469 . 0 0 "[ . 1 . 2 . ]" 1
447 1 53 CYS HB3 1 54 GLY H 5.000 . 6.000 4.192 4.072 4.343 . 0 0 "[ . 1 . 2 . ]" 1
448 1 53 CYS HB2 1 54 GLY H 5.000 . 6.000 3.994 3.880 4.087 . 0 0 "[ . 1 . 2 . ]" 1
449 1 54 GLY H 1 55 VAL H 3.000 . 3.500 2.386 2.293 2.566 . 0 0 "[ . 1 . 2 . ]" 1
450 1 54 GLY H 1 55 VAL HA 5.000 . 6.000 5.074 5.023 5.242 . 0 0 "[ . 1 . 2 . ]" 1
451 1 54 GLY H 1 55 VAL HB 5.000 . 6.000 4.516 4.276 4.766 . 0 0 "[ . 1 . 2 . ]" 1
452 1 54 GLY H 1 55 VAL MG2 5.000 . 6.000 3.573 3.132 4.115 . 0 0 "[ . 1 . 2 . ]" 1
453 1 54 GLY QA 1 55 VAL H 4.000 . 4.750 2.797 2.659 2.943 . 0 0 "[ . 1 . 2 . ]" 1
454 1 55 VAL HA 1 56 VAL H 2.500 . 2.800 2.259 2.200 2.323 . 0 0 "[ . 1 . 2 . ]" 1
455 1 55 VAL HB 1 56 VAL H 4.000 . 4.750 4.125 3.954 4.281 . 0 0 "[ . 1 . 2 . ]" 1
456 1 55 VAL MG1 1 56 VAL H 4.000 . 4.750 2.526 2.052 2.951 . 0 0 "[ . 1 . 2 . ]" 1
457 1 55 VAL MG2 1 56 VAL H 5.000 . 6.000 4.079 3.699 4.309 . 0 0 "[ . 1 . 2 . ]" 1
458 1 56 VAL HA 1 57 TYR H 3.000 . 3.500 2.297 2.245 2.349 . 0 0 "[ . 1 . 2 . ]" 1
459 1 56 VAL HA 1 57 TYR QD 5.000 . 6.000 4.259 3.938 4.509 . 0 0 "[ . 1 . 2 . ]" 1
460 1 56 VAL HA 1 57 TYR QE 5.000 . 6.000 4.859 4.468 5.233 . 0 0 "[ . 1 . 2 . ]" 1
461 1 56 VAL HB 1 57 TYR H 4.000 . 4.750 3.899 3.599 4.203 . 0 0 "[ . 1 . 2 . ]" 1
462 1 56 VAL MG1 1 57 TYR H 4.000 . 4.750 2.080 1.877 2.387 . 0 0 "[ . 1 . 2 . ]" 1
463 1 56 VAL MG2 1 57 TYR H 5.000 . 6.000 4.022 3.830 4.213 . 0 0 "[ . 1 . 2 . ]" 1
464 1 57 TYR H 1 58 ASN H 5.000 . 6.000 2.984 2.491 3.843 . 0 0 "[ . 1 . 2 . ]" 1
465 1 57 TYR HA 1 58 ASN H 3.000 . 3.500 3.234 2.513 3.574 0.074 17 0 "[ . 1 . 2 . ]" 1
466 1 57 TYR HB3 1 58 ASN H 4.000 . 4.750 3.902 3.383 4.451 . 0 0 "[ . 1 . 2 . ]" 1
467 1 57 TYR HB2 1 58 ASN H 4.000 . 4.750 3.125 2.253 4.416 . 0 0 "[ . 1 . 2 . ]" 1
468 1 57 TYR QD 1 58 ASN H 4.000 . 4.750 4.215 3.982 4.296 . 0 0 "[ . 1 . 2 . ]" 1
469 1 58 ASN H 1 59 THR H 4.000 . 4.750 3.723 2.679 4.648 . 0 0 "[ . 1 . 2 . ]" 1
470 1 58 ASN HA 1 59 THR H 3.000 . 3.500 2.387 2.201 2.850 . 0 0 "[ . 1 . 2 . ]" 1
471 1 58 ASN HA 1 59 THR MG 5.000 . 6.000 3.915 3.494 4.347 . 0 0 "[ . 1 . 2 . ]" 1
472 1 58 ASN QB 1 59 THR H 4.000 . 4.750 3.877 3.373 4.037 . 0 0 "[ . 1 . 2 . ]" 1
473 1 59 THR H 1 60 ARG H 5.000 . 6.000 4.486 4.183 4.639 . 0 0 "[ . 1 . 2 . ]" 1
474 1 59 THR HA 1 60 ARG H 3.000 . 3.500 2.276 2.208 2.477 . 0 0 "[ . 1 . 2 . ]" 1
475 1 59 THR HB 1 60 ARG H 5.000 . 6.000 3.264 2.546 3.715 . 0 0 "[ . 1 . 2 . ]" 1
476 1 59 THR MG 1 60 ARG H 5.000 . 6.000 4.046 3.102 4.301 . 0 0 "[ . 1 . 2 . ]" 1
477 1 8 VAL MG1 1 10 TRP H 5.000 . 6.000 4.986 4.886 5.034 . 0 0 "[ . 1 . 2 . ]" 1
478 1 9 CYS HA 1 11 ILE H 4.000 . 4.750 3.615 3.492 3.765 . 0 0 "[ . 1 . 2 . ]" 1
479 1 11 ILE HB 1 13 ASN H 5.000 . 6.000 4.235 4.153 4.306 . 0 0 "[ . 1 . 2 . ]" 1
480 1 15 GLU HA 1 17 GLY H 5.000 . 6.000 3.753 3.604 4.081 . 0 0 "[ . 1 . 2 . ]" 1
481 1 15 GLU QB 1 17 GLY H 4.000 . 4.750 3.644 2.605 4.176 . 0 0 "[ . 1 . 2 . ]" 1
482 1 15 GLU QG 1 17 GLY H 4.000 . 4.750 3.984 3.510 4.320 . 0 0 "[ . 1 . 2 . ]" 1
483 1 17 GLY QA 1 19 GLU H 5.000 . 6.000 4.735 4.457 5.285 . 0 0 "[ . 1 . 2 . ]" 1
484 1 18 ASN H 1 20 ARG H 5.000 . 6.000 5.888 5.640 6.227 0.227 8 0 "[ . 1 . 2 . ]" 1
485 1 21 PHE HB3 1 23 ALA MB 5.000 . 6.000 4.150 4.005 4.371 . 0 0 "[ . 1 . 2 . ]" 1
486 1 21 PHE HZ 1 23 ALA HA 4.000 . 4.750 4.085 3.480 4.581 . 0 0 "[ . 1 . 2 . ]" 1
487 1 21 PHE HZ 1 23 ALA MB 4.000 . 4.750 2.417 2.140 2.980 . 0 0 "[ . 1 . 2 . ]" 1
488 1 21 PHE QD 1 23 ALA HA 5.000 . 6.000 4.512 4.165 4.874 . 0 0 "[ . 1 . 2 . ]" 1
489 1 21 PHE QD 1 23 ALA MB 4.000 . 4.750 3.203 3.037 3.346 . 0 0 "[ . 1 . 2 . ]" 1
490 1 21 PHE QE 1 23 ALA H 5.000 . 6.000 4.568 4.124 4.934 . 0 0 "[ . 1 . 2 . ]" 1
491 1 21 PHE QE 1 23 ALA HA 4.000 . 4.750 3.397 2.995 3.877 . 0 0 "[ . 1 . 2 . ]" 1
492 1 21 PHE QE 1 23 ALA MB 4.000 . 4.750 2.629 2.463 2.881 . 0 0 "[ . 1 . 2 . ]" 1
493 1 28 GLY QA 1 30 LEU H 5.000 . 6.000 3.915 3.248 4.448 . 0 0 "[ . 1 . 2 . ]" 1
494 1 29 GLU H 1 31 GLU H 5.000 . 6.000 4.094 3.768 4.435 . 0 0 "[ . 1 . 2 . ]" 1
495 1 29 GLU HA 1 31 GLU H 5.000 . 6.000 4.034 3.484 4.804 . 0 0 "[ . 1 . 2 . ]" 1
496 1 30 LEU H 1 32 ASN H 5.000 . 6.000 4.585 3.833 5.130 . 0 0 "[ . 1 . 2 . ]" 1
497 1 30 LEU HA 1 32 ASN H 5.000 . 6.000 4.173 3.304 4.762 . 0 0 "[ . 1 . 2 . ]" 1
498 1 33 VAL MG1 1 35 ARG HA 5.000 . 6.000 4.006 3.559 4.436 . 0 0 "[ . 1 . 2 . ]" 1
499 1 34 HIS H 1 36 SER H 5.000 . 6.000 5.202 5.092 5.347 . 0 0 "[ . 1 . 2 . ]" 1
500 1 34 HIS HA 1 36 SER H 5.000 . 6.000 3.517 3.424 3.594 . 0 0 "[ . 1 . 2 . ]" 1
501 1 34 HIS HB3 1 36 SER H 5.000 . 6.000 2.623 2.473 2.723 . 0 0 "[ . 1 . 2 . ]" 1
502 1 34 HIS HB2 1 36 SER H 5.000 . 6.000 3.891 3.382 4.233 . 0 0 "[ . 1 . 2 . ]" 1
503 1 34 HIS HD2 1 36 SER H 5.000 . 6.000 4.690 3.950 5.303 . 0 0 "[ . 1 . 2 . ]" 1
504 1 35 ARG H 1 37 CYS H 5.000 . 6.000 4.928 4.731 5.060 . 0 0 "[ . 1 . 2 . ]" 1
505 1 35 ARG HA 1 37 CYS H 5.000 . 6.000 4.976 4.739 5.131 . 0 0 "[ . 1 . 2 . ]" 1
506 1 36 SER H 1 38 LEU H 5.000 . 6.000 3.771 3.638 3.963 . 0 0 "[ . 1 . 2 . ]" 1
507 1 36 SER HA 1 38 LEU H 5.000 . 6.000 4.589 4.425 4.802 . 0 0 "[ . 1 . 2 . ]" 1
508 1 37 CYS H 1 39 SER H 5.000 . 6.000 4.698 4.577 4.787 . 0 0 "[ . 1 . 2 . ]" 1
509 1 38 LEU H 1 40 THR H 4.000 . 4.750 3.830 3.633 3.994 . 0 0 "[ . 1 . 2 . ]" 1
510 1 38 LEU H 1 40 THR MG 5.000 . 6.000 3.853 3.529 4.997 . 0 0 "[ . 1 . 2 . ]" 1
511 1 38 LEU HA 1 40 THR H 5.000 . 6.000 4.270 4.101 4.490 . 0 0 "[ . 1 . 2 . ]" 1
512 1 39 SER H 1 41 TRP H 4.000 . 4.750 4.192 4.075 4.336 . 0 0 "[ . 1 . 2 . ]" 1
513 1 40 THR H 1 42 LEU H 5.000 . 6.000 4.424 4.328 4.535 . 0 0 "[ . 1 . 2 . ]" 1
514 1 40 THR HA 1 42 LEU H 5.000 . 6.000 4.903 4.825 4.958 . 0 0 "[ . 1 . 2 . ]" 1
515 1 41 TRP H 1 43 THR H 5.000 . 6.000 3.895 3.722 4.073 . 0 0 "[ . 1 . 2 . ]" 1
516 1 44 ILE MG 1 46 ARG H 5.000 . 6.000 4.611 4.329 4.976 . 0 0 "[ . 1 . 2 . ]" 1
517 1 45 SER QB 1 47 ASN H 5.000 . 6.000 4.171 3.327 5.118 . 0 0 "[ . 1 . 2 . ]" 1
518 1 45 SER QB 1 47 ASN QD 5.000 . 6.000 3.047 1.932 4.482 . 0 0 "[ . 1 . 2 . ]" 1
519 1 47 ASN HA 1 49 ALA H 4.000 . 4.750 3.884 3.607 4.292 . 0 0 "[ . 1 . 2 . ]" 1
520 1 47 ASN HB3 1 49 ALA H 4.000 . 4.750 3.277 2.326 4.141 . 0 0 "[ . 1 . 2 . ]" 1
521 1 50 CYS HA 1 52 ILE H 5.000 . 6.000 3.699 3.402 4.073 . 0 0 "[ . 1 . 2 . ]" 1
522 1 50 CYS HB3 1 52 ILE H 5.000 . 6.000 3.821 3.368 4.483 . 0 0 "[ . 1 . 2 . ]" 1
523 1 51 GLN H 1 53 CYS H 5.000 . 6.000 4.590 4.291 4.956 . 0 0 "[ . 1 . 2 . ]" 1
524 1 51 GLN HA 1 53 CYS H 5.000 . 6.000 4.511 4.286 4.864 . 0 0 "[ . 1 . 2 . ]" 1
525 1 52 ILE H 1 54 GLY H 4.000 . 4.750 3.431 3.149 3.836 . 0 0 "[ . 1 . 2 . ]" 1
526 1 52 ILE H 1 54 GLY QA 5.000 . 6.000 4.875 4.687 5.154 . 0 0 "[ . 1 . 2 . ]" 1
527 1 52 ILE HB 1 54 GLY H 4.000 . 4.750 4.255 4.039 4.465 . 0 0 "[ . 1 . 2 . ]" 1
528 1 52 ILE MG 1 54 GLY H 5.000 . 6.000 4.846 4.513 5.012 . 0 0 "[ . 1 . 2 . ]" 1
529 1 53 CYS HB3 1 55 VAL MG2 5.000 . 6.000 3.733 3.365 4.016 . 0 0 "[ . 1 . 2 . ]" 1
530 1 53 CYS HB2 1 55 VAL MG2 4.000 . 4.750 2.730 2.199 3.018 . 0 0 "[ . 1 . 2 . ]" 1
531 1 56 VAL MG1 1 58 ASN H 5.000 . 6.000 2.667 1.842 4.069 . 0 0 "[ . 1 . 2 . ]" 1
532 1 56 VAL MG2 1 58 ASN H 5.000 . 6.000 4.785 4.417 5.025 . 0 0 "[ . 1 . 2 . ]" 1
533 1 57 TYR HB3 1 59 THR MG 5.000 . 6.000 2.801 2.102 3.955 . 0 0 "[ . 1 . 2 . ]" 1
534 1 9 CYS HA 1 12 CYS H 5.000 . 6.000 4.969 4.850 5.103 . 0 0 "[ . 1 . 2 . ]" 1
535 1 10 TRP HA 1 13 ASN QD 5.000 . 6.000 4.223 2.821 5.345 . 0 0 "[ . 1 . 2 . ]" 1
536 1 16 LEU HG 1 19 GLU H 5.000 . 6.000 3.308 2.230 3.886 . 0 0 "[ . 1 . 2 . ]" 1
537 1 16 LEU MD1 1 19 GLU H 5.000 . 6.000 2.384 1.834 4.678 . 0 0 "[ . 1 . 2 . ]" 1
538 1 16 LEU MD1 1 19 GLU QB 5.000 . 6.000 2.225 1.804 4.093 . 0 0 "[ . 1 . 2 . ]" 1
539 1 16 LEU MD2 1 19 GLU H 5.000 . 6.000 4.332 2.797 4.868 . 0 0 "[ . 1 . 2 . ]" 1
540 1 27 THR H 1 30 LEU QB 4.000 . 4.750 4.084 3.329 4.361 . 0 0 "[ . 1 . 2 . ]" 1
541 1 28 GLY H 1 31 GLU QB 5.000 . 6.000 3.172 2.220 4.592 . 0 0 "[ . 1 . 2 . ]" 1
542 1 28 GLY H 1 31 GLU QG 4.000 . 4.750 3.171 1.861 4.116 . 0 0 "[ . 1 . 2 . ]" 1
543 1 28 GLY QA 1 31 GLU H 5.000 . 6.000 3.655 3.153 4.210 . 0 0 "[ . 1 . 2 . ]" 1
544 1 28 GLY QA 1 31 GLU QG 5.000 . 6.000 3.491 2.696 4.777 . 0 0 "[ . 1 . 2 . ]" 1
545 1 29 GLU HA 1 32 ASN QD 4.000 . 4.750 4.166 3.644 4.278 . 0 0 "[ . 1 . 2 . ]" 1
546 1 30 LEU MD2 1 33 VAL MG1 5.000 . 6.000 4.150 3.886 4.189 . 0 0 "[ . 1 . 2 . ]" 1
547 1 34 HIS H 1 37 CYS H 5.000 . 6.000 5.044 4.765 5.242 . 0 0 "[ . 1 . 2 . ]" 1
548 1 34 HIS HA 1 37 CYS H 5.000 . 6.000 4.861 4.678 4.975 . 0 0 "[ . 1 . 2 . ]" 1
549 1 34 HIS HB3 1 37 CYS H 3.000 . 3.500 2.695 2.317 3.170 . 0 0 "[ . 1 . 2 . ]" 1
550 1 34 HIS HB3 1 37 CYS HB3 5.000 . 6.000 4.688 4.287 5.260 . 0 0 "[ . 1 . 2 . ]" 1
551 1 34 HIS HB3 1 37 CYS HB2 5.000 . 6.000 5.402 4.778 6.029 0.029 15 0 "[ . 1 . 2 . ]" 1
552 1 34 HIS HB2 1 37 CYS H 3.000 . 3.500 3.129 2.570 3.505 0.005 11 0 "[ . 1 . 2 . ]" 1
553 1 34 HIS HB2 1 37 CYS HB3 4.000 . 4.750 4.442 3.599 4.803 0.053 2 0 "[ . 1 . 2 . ]" 1
554 1 34 HIS HB2 1 37 CYS HB2 4.000 . 4.750 4.697 4.198 4.778 0.028 17 0 "[ . 1 . 2 . ]" 1
555 1 34 HIS HD2 1 37 CYS H 5.000 . 6.000 5.782 5.135 6.072 0.072 15 0 "[ . 1 . 2 . ]" 1
556 1 35 ARG HA 1 38 LEU H 4.000 . 4.750 3.745 3.540 3.843 . 0 0 "[ . 1 . 2 . ]" 1
557 1 35 ARG HA 1 38 LEU HB3 4.000 . 4.750 2.686 2.455 2.889 . 0 0 "[ . 1 . 2 . ]" 1
558 1 35 ARG HA 1 38 LEU HB2 5.000 . 6.000 4.304 4.034 4.535 . 0 0 "[ . 1 . 2 . ]" 1
559 1 36 SER H 1 39 SER QB 5.000 . 6.000 4.857 4.566 5.175 . 0 0 "[ . 1 . 2 . ]" 1
560 1 36 SER HA 1 39 SER H 5.000 . 6.000 4.620 4.433 4.733 . 0 0 "[ . 1 . 2 . ]" 1
561 1 37 CYS HA 1 40 THR H 5.000 . 6.000 3.770 3.642 3.883 . 0 0 "[ . 1 . 2 . ]" 1
562 1 37 CYS HA 1 40 THR HB 5.000 . 6.000 3.961 3.604 4.484 . 0 0 "[ . 1 . 2 . ]" 1
563 1 37 CYS HA 1 40 THR MG 5.000 . 6.000 2.095 1.721 3.862 0.079 7 0 "[ . 1 . 2 . ]" 1
564 1 38 LEU H 1 41 TRP HE3 5.000 . 6.000 5.718 5.388 5.907 . 0 0 "[ . 1 . 2 . ]" 1
565 1 38 LEU HA 1 41 TRP H 4.000 . 4.750 3.302 3.177 3.442 . 0 0 "[ . 1 . 2 . ]" 1
566 1 38 LEU HA 1 41 TRP HB3 4.000 . 4.750 2.194 2.041 2.321 . 0 0 "[ . 1 . 2 . ]" 1
567 1 38 LEU HA 1 41 TRP HB2 4.000 . 4.750 3.482 3.242 3.778 . 0 0 "[ . 1 . 2 . ]" 1
568 1 38 LEU HA 1 41 TRP HD1 5.000 . 6.000 5.697 5.546 5.840 . 0 0 "[ . 1 . 2 . ]" 1
569 1 38 LEU HA 1 41 TRP HE3 5.000 . 6.000 2.880 2.572 3.065 . 0 0 "[ . 1 . 2 . ]" 1
570 1 38 LEU HG 1 41 TRP HE3 5.000 . 6.000 4.138 3.841 4.419 . 0 0 "[ . 1 . 2 . ]" 1
571 1 38 LEU MD1 1 41 TRP H 5.000 . 6.000 4.090 3.927 4.277 . 0 0 "[ . 1 . 2 . ]" 1
572 1 38 LEU MD1 1 41 TRP HB3 5.000 . 6.000 2.971 2.789 3.204 . 0 0 "[ . 1 . 2 . ]" 1
573 1 38 LEU MD1 1 41 TRP HB2 5.000 . 6.000 4.357 4.172 4.595 . 0 0 "[ . 1 . 2 . ]" 1
574 1 38 LEU MD1 1 41 TRP HE3 4.000 . 4.750 1.783 1.707 1.902 0.093 15 0 "[ . 1 . 2 . ]" 1
575 1 38 LEU MD1 1 41 TRP HZ3 5.000 . 6.000 2.468 2.018 2.787 . 0 0 "[ . 1 . 2 . ]" 1
576 1 38 LEU MD2 1 41 TRP HE3 5.000 . 6.000 4.319 4.228 4.514 . 0 0 "[ . 1 . 2 . ]" 1
577 1 39 SER H 1 42 LEU MD1 5.000 . 6.000 5.036 5.015 5.074 . 0 0 "[ . 1 . 2 . ]" 1
578 1 39 SER H 1 42 LEU MD2 5.000 . 6.000 3.278 3.184 3.392 . 0 0 "[ . 1 . 2 . ]" 1
579 1 39 SER HA 1 42 LEU H 5.000 . 6.000 4.221 4.051 4.311 . 0 0 "[ . 1 . 2 . ]" 1
580 1 39 SER HA 1 42 LEU HB3 4.000 . 4.750 4.681 4.540 4.769 0.019 21 0 "[ . 1 . 2 . ]" 1
581 1 39 SER HA 1 42 LEU HB2 5.000 . 6.000 5.042 4.917 5.120 . 0 0 "[ . 1 . 2 . ]" 1
582 1 39 SER HA 1 42 LEU MD1 5.000 . 6.000 2.729 2.608 2.838 . 0 0 "[ . 1 . 2 . ]" 1
583 1 40 THR H 1 43 THR H 5.000 . 6.000 4.747 4.554 4.842 . 0 0 "[ . 1 . 2 . ]" 1
584 1 40 THR HA 1 43 THR H 3.000 . 3.500 3.491 3.326 3.542 0.042 13 0 "[ . 1 . 2 . ]" 1
585 1 41 TRP H 1 44 ILE MD 5.000 . 6.000 4.169 3.408 4.851 . 0 0 "[ . 1 . 2 . ]" 1
586 1 41 TRP HA 1 44 ILE H 4.000 . 4.750 3.439 3.321 3.563 . 0 0 "[ . 1 . 2 . ]" 1
587 1 41 TRP HA 1 44 ILE HB 5.000 . 6.000 2.996 2.633 3.383 . 0 0 "[ . 1 . 2 . ]" 1
588 1 41 TRP HD1 1 44 ILE HB 4.000 . 4.750 4.603 4.256 4.778 0.028 5 0 "[ . 1 . 2 . ]" 1
589 1 42 LEU HA 1 45 SER H 5.000 . 6.000 3.382 3.179 3.696 . 0 0 "[ . 1 . 2 . ]" 1
590 1 43 THR HA 1 46 ARG H 4.000 . 4.750 3.633 3.389 3.866 . 0 0 "[ . 1 . 2 . ]" 1
591 1 43 THR HB 1 46 ARG H 5.000 . 6.000 5.292 5.078 5.464 . 0 0 "[ . 1 . 2 . ]" 1
592 1 43 THR MG 1 46 ARG H 5.000 . 6.000 4.668 4.439 4.984 . 0 0 "[ . 1 . 2 . ]" 1
593 1 50 CYS H 1 53 CYS H 5.000 . 6.000 5.558 5.283 5.929 . 0 0 "[ . 1 . 2 . ]" 1
594 1 50 CYS HB3 1 53 CYS H 4.000 . 4.750 3.316 2.981 3.834 . 0 0 "[ . 1 . 2 . ]" 1
595 1 50 CYS HB2 1 53 CYS H 5.000 . 6.000 4.645 4.403 4.892 . 0 0 "[ . 1 . 2 . ]" 1
596 1 51 GLN HA 1 54 GLY H 5.000 . 6.000 3.702 3.405 3.905 . 0 0 "[ . 1 . 2 . ]" 1
597 1 52 ILE H 1 55 VAL H 5.000 . 6.000 4.974 4.630 5.479 . 0 0 "[ . 1 . 2 . ]" 1
598 1 26 CYS HB3 1 30 LEU H 5.000 . 6.000 3.832 2.614 4.754 . 0 0 "[ . 1 . 2 . ]" 1
599 1 26 CYS HB3 1 30 LEU QB 4.000 . 4.750 2.763 2.326 3.395 . 0 0 "[ . 1 . 2 . ]" 1
600 1 26 CYS HB2 1 30 LEU MD1 5.000 . 6.000 3.378 2.554 4.181 . 0 0 "[ . 1 . 2 . ]" 1
601 1 26 CYS HB2 1 30 LEU QB 4.000 . 4.750 1.886 1.780 2.140 0.020 9 0 "[ . 1 . 2 . ]" 1
602 1 27 THR HA 1 31 GLU QB 5.000 . 6.000 4.655 3.411 5.324 . 0 0 "[ . 1 . 2 . ]" 1
603 1 27 THR HA 1 31 GLU QG 4.000 . 4.750 3.593 2.488 4.278 . 0 0 "[ . 1 . 2 . ]" 1
604 1 33 VAL MG2 1 37 CYS H 5.000 . 6.000 4.838 4.400 5.031 . 0 0 "[ . 1 . 2 . ]" 1
605 1 34 HIS H 1 38 LEU HB2 5.000 . 6.000 4.442 4.137 4.835 . 0 0 "[ . 1 . 2 . ]" 1
606 1 34 HIS HB3 1 38 LEU H 5.000 . 6.000 4.112 3.580 4.830 . 0 0 "[ . 1 . 2 . ]" 1
607 1 34 HIS HB2 1 38 LEU H 4.000 . 4.750 3.825 3.655 4.036 . 0 0 "[ . 1 . 2 . ]" 1
608 1 35 ARG HA 1 39 SER H 5.000 . 6.000 2.964 2.686 3.222 . 0 0 "[ . 1 . 2 . ]" 1
609 1 36 SER HA 1 40 THR H 4.000 . 4.750 4.416 4.240 4.535 . 0 0 "[ . 1 . 2 . ]" 1
610 1 37 CYS HA 1 41 TRP H 5.000 . 6.000 3.680 3.477 3.823 . 0 0 "[ . 1 . 2 . ]" 1
611 1 37 CYS HB3 1 41 TRP HB3 5.000 . 6.000 6.035 5.834 6.073 0.073 5 0 "[ . 1 . 2 . ]" 1
612 1 38 LEU HA 1 42 LEU H 4.000 . 4.750 3.582 3.445 3.701 . 0 0 "[ . 1 . 2 . ]" 1
613 1 38 LEU HG 1 42 LEU H 5.000 . 6.000 4.708 4.496 4.863 . 0 0 "[ . 1 . 2 . ]" 1
614 1 38 LEU MD1 1 42 LEU H 5.000 . 6.000 2.867 2.671 3.042 . 0 0 "[ . 1 . 2 . ]" 1
615 1 39 SER HA 1 43 THR H 4.000 . 4.750 4.591 4.185 4.762 0.012 22 0 "[ . 1 . 2 . ]" 1
616 1 40 THR MG 1 44 ILE MD 5.000 . 6.000 3.177 2.352 4.167 . 0 0 "[ . 1 . 2 . ]" 1
617 1 41 TRP HA 1 45 SER H 4.000 . 4.750 3.984 3.691 4.332 . 0 0 "[ . 1 . 2 . ]" 1
618 1 41 TRP HD1 1 45 SER QB 4.000 . 4.750 3.841 3.312 4.245 . 0 0 "[ . 1 . 2 . ]" 1
619 1 41 TRP HE1 1 45 SER QB 5.000 . 6.000 3.296 2.786 3.603 . 0 0 "[ . 1 . 2 . ]" 1
620 1 41 TRP HE3 1 45 SER H 5.000 . 6.000 6.002 5.851 6.067 0.067 16 0 "[ . 1 . 2 . ]" 1
621 1 42 LEU HA 1 46 ARG H 5.000 . 6.000 3.869 3.432 4.307 . 0 0 "[ . 1 . 2 . ]" 1
622 1 50 CYS HA 1 54 GLY H 5.000 . 6.000 4.977 4.810 5.217 . 0 0 "[ . 1 . 2 . ]" 1
623 1 50 CYS HB3 1 54 GLY H 4.000 . 4.750 3.141 2.772 3.473 . 0 0 "[ . 1 . 2 . ]" 1
624 1 50 CYS HB2 1 54 GLY H 5.000 . 6.000 4.804 4.502 5.071 . 0 0 "[ . 1 . 2 . ]" 1
625 1 6 VAL H 1 15 GLU QG 5.000 . 6.000 4.751 4.161 5.457 . 0 0 "[ . 1 . 2 . ]" 1
626 1 6 VAL MG1 1 15 GLU QG 5.000 . 6.000 1.975 1.728 3.581 0.072 3 0 "[ . 1 . 2 . ]" 1
627 1 6 VAL MG1 1 17 GLY H 5.000 . 6.000 2.363 1.741 2.821 0.059 24 0 "[ . 1 . 2 . ]" 1
628 1 6 VAL MG1 1 18 ASN H 5.000 . 6.000 4.529 3.733 4.993 . 0 0 "[ . 1 . 2 . ]" 1
629 1 7 PRO HA 1 16 LEU MD2 5.000 . 6.000 4.182 3.715 4.518 . 0 0 "[ . 1 . 2 . ]" 1
630 1 7 PRO QB 1 16 LEU MD2 4.000 . 4.750 2.868 2.144 3.366 . 0 0 "[ . 1 . 2 . ]" 1
631 1 7 PRO QG 1 16 LEU MD1 4.000 . 4.750 3.140 2.656 3.570 . 0 0 "[ . 1 . 2 . ]" 1
632 1 7 PRO QG 1 16 LEU MD2 5.000 . 6.000 2.922 1.795 3.371 0.005 24 0 "[ . 1 . 2 . ]" 1
633 1 7 PRO QD 1 16 LEU H 5.000 . 6.000 4.051 3.705 4.260 . 0 0 "[ . 1 . 2 . ]" 1
634 1 7 PRO HA 1 32 ASN QD 5.000 . 6.000 3.596 2.671 4.142 . 0 0 "[ . 1 . 2 . ]" 1
635 1 7 PRO QB 1 32 ASN QD 4.000 . 4.750 2.037 1.690 2.393 0.110 10 0 "[ . 1 . 2 . ]" 1
636 1 7 PRO QG 1 32 ASN QD 4.000 . 4.750 3.240 2.313 3.780 . 0 0 "[ . 1 . 2 . ]" 1
637 1 8 VAL HB 1 13 ASN H 5.000 . 6.000 5.893 5.487 6.045 0.045 11 0 "[ . 1 . 2 . ]" 1
638 1 8 VAL MG1 1 13 ASN QB 5.000 . 6.000 3.791 3.249 4.314 . 0 0 "[ . 1 . 2 . ]" 1
639 1 8 VAL HB 1 14 GLU H 5.000 . 6.000 4.606 4.128 4.903 . 0 0 "[ . 1 . 2 . ]" 1
640 1 8 VAL MG1 1 14 GLU H 5.000 . 6.000 2.150 1.830 2.408 . 0 0 "[ . 1 . 2 . ]" 1
641 1 8 VAL MG2 1 14 GLU H 5.000 . 6.000 4.906 4.614 5.058 . 0 0 "[ . 1 . 2 . ]" 1
642 1 8 VAL HA 1 15 GLU H 5.000 . 6.000 3.931 2.952 4.215 . 0 0 "[ . 1 . 2 . ]" 1
643 1 8 VAL HA 1 15 GLU HA 3.000 . 3.500 1.794 1.674 1.847 0.126 5 0 "[ . 1 . 2 . ]" 1
644 1 8 VAL MG1 1 15 GLU H 5.000 . 6.000 2.460 2.166 2.620 . 0 0 "[ . 1 . 2 . ]" 1
645 1 8 VAL MG1 1 15 GLU HA 4.000 . 4.750 2.581 2.183 3.130 . 0 0 "[ . 1 . 2 . ]" 1
646 1 8 VAL MG1 1 15 GLU QB 4.000 . 4.750 3.427 2.649 3.557 . 0 0 "[ . 1 . 2 . ]" 1
647 1 8 VAL MG1 1 15 GLU QG 4.000 . 4.750 2.925 2.334 3.637 . 0 0 "[ . 1 . 2 . ]" 1
648 1 8 VAL MG2 1 15 GLU HA 5.000 . 6.000 2.568 2.151 3.749 . 0 0 "[ . 1 . 2 . ]" 1
649 1 8 VAL MG2 1 15 GLU QG 5.000 . 6.000 2.064 1.689 4.324 0.111 15 0 "[ . 1 . 2 . ]" 1
650 1 8 VAL H 1 16 LEU MD1 5.000 . 6.000 4.817 4.215 5.011 . 0 0 "[ . 1 . 2 . ]" 1
651 1 8 VAL H 1 16 LEU MD2 5.000 . 6.000 3.247 2.823 4.611 . 0 0 "[ . 1 . 2 . ]" 1
652 1 8 VAL HA 1 16 LEU H 4.000 . 4.750 2.853 2.610 3.745 . 0 0 "[ . 1 . 2 . ]" 1
653 1 8 VAL HA 1 16 LEU MD1 5.000 . 6.000 4.258 2.514 4.547 . 0 0 "[ . 1 . 2 . ]" 1
654 1 8 VAL HA 1 16 LEU MD2 5.000 . 6.000 2.016 1.762 3.999 0.038 18 0 "[ . 1 . 2 . ]" 1
655 1 8 VAL MG1 1 16 LEU H 5.000 . 6.000 4.318 4.043 5.060 . 0 0 "[ . 1 . 2 . ]" 1
656 1 8 VAL HA 1 17 GLY H 5.000 . 6.000 4.496 4.158 5.353 . 0 0 "[ . 1 . 2 . ]" 1
657 1 8 VAL H 1 32 ASN HB3 5.000 . 6.000 4.519 3.733 5.197 . 0 0 "[ . 1 . 2 . ]" 1
658 1 8 VAL H 1 32 ASN HB2 5.000 . 6.000 3.525 2.696 4.216 . 0 0 "[ . 1 . 2 . ]" 1
659 1 8 VAL H 1 32 ASN QD 5.000 . 6.000 3.752 2.733 4.641 . 0 0 "[ . 1 . 2 . ]" 1
660 1 8 VAL HA 1 34 HIS HE1 5.000 . 6.000 4.767 4.256 5.226 . 0 0 "[ . 1 . 2 . ]" 1
661 1 8 VAL MG1 1 34 HIS HE1 5.000 . 6.000 4.315 3.784 4.998 . 0 0 "[ . 1 . 2 . ]" 1
662 1 9 CYS H 1 14 GLU H 4.000 . 4.750 2.657 2.295 2.880 . 0 0 "[ . 1 . 2 . ]" 1
663 1 9 CYS H 1 14 GLU QB 4.000 . 4.750 3.832 3.634 4.098 . 0 0 "[ . 1 . 2 . ]" 1
664 1 9 CYS H 1 14 GLU QG 5.000 . 6.000 4.435 4.105 4.683 . 0 0 "[ . 1 . 2 . ]" 1
665 1 9 CYS HB3 1 14 GLU H 4.000 . 4.750 2.396 2.091 2.946 . 0 0 "[ . 1 . 2 . ]" 1
666 1 9 CYS HB3 1 14 GLU QB 5.000 . 6.000 3.016 2.752 3.450 . 0 0 "[ . 1 . 2 . ]" 1
667 1 9 CYS HB2 1 14 GLU H 4.000 . 4.750 4.005 3.662 4.489 . 0 0 "[ . 1 . 2 . ]" 1
668 1 9 CYS H 1 15 GLU H 5.000 . 6.000 4.531 3.678 4.746 . 0 0 "[ . 1 . 2 . ]" 1
669 1 9 CYS H 1 15 GLU HA 4.000 . 4.750 3.414 2.249 3.587 . 0 0 "[ . 1 . 2 . ]" 1
670 1 9 CYS H 1 16 LEU HG 5.000 . 6.000 4.831 4.509 5.605 . 0 0 "[ . 1 . 2 . ]" 1
671 1 9 CYS H 1 16 LEU MD1 5.000 . 6.000 3.881 2.044 4.233 . 0 0 "[ . 1 . 2 . ]" 1
672 1 9 CYS H 1 16 LEU MD2 5.000 . 6.000 2.203 1.792 4.063 0.008 17 0 "[ . 1 . 2 . ]" 1
673 1 9 CYS HA 1 16 LEU MD1 5.000 . 6.000 3.372 2.472 3.756 . 0 0 "[ . 1 . 2 . ]" 1
674 1 9 CYS HA 1 16 LEU MD2 5.000 . 6.000 2.830 2.440 4.383 . 0 0 "[ . 1 . 2 . ]" 1
675 1 9 CYS HB3 1 16 LEU H 5.000 . 6.000 5.773 5.294 6.017 0.017 19 0 "[ . 1 . 2 . ]" 1
676 1 9 CYS HB3 1 16 LEU MD1 5.000 . 6.000 4.516 2.605 4.863 . 0 0 "[ . 1 . 2 . ]" 1
677 1 9 CYS HB3 1 16 LEU MD2 5.000 . 6.000 3.498 2.898 5.062 . 0 0 "[ . 1 . 2 . ]" 1
678 1 9 CYS HB2 1 16 LEU MD1 5.000 . 6.000 3.164 1.776 3.511 0.024 24 0 "[ . 1 . 2 . ]" 1
679 1 9 CYS HB2 1 16 LEU MD2 5.000 . 6.000 2.751 2.125 4.290 . 0 0 "[ . 1 . 2 . ]" 1
680 1 9 CYS H 1 17 GLY H 5.000 . 6.000 5.798 5.514 6.017 0.017 25 0 "[ . 1 . 2 . ]" 1
681 1 9 CYS H 1 33 VAL HA 5.000 . 6.000 4.472 4.194 4.728 . 0 0 "[ . 1 . 2 . ]" 1
682 1 9 CYS HA 1 33 VAL HA 3.000 . 3.500 2.098 1.927 2.323 . 0 0 "[ . 1 . 2 . ]" 1
683 1 9 CYS HB3 1 33 VAL HA 4.000 . 4.750 4.176 3.833 4.484 . 0 0 "[ . 1 . 2 . ]" 1
684 1 9 CYS H 1 34 HIS HE1 4.000 . 4.750 3.483 2.720 4.057 . 0 0 "[ . 1 . 2 . ]" 1
685 1 9 CYS HA 1 34 HIS H 3.000 . 3.500 3.338 3.029 3.580 0.080 22 0 "[ . 1 . 2 . ]" 1
686 1 9 CYS HA 1 34 HIS HE1 5.000 . 6.000 5.488 4.676 6.011 0.011 7 0 "[ . 1 . 2 . ]" 1
687 1 9 CYS HB3 1 34 HIS H 3.000 . 3.500 3.527 3.400 3.560 0.060 13 0 "[ . 1 . 2 . ]" 1
688 1 9 CYS HB3 1 34 HIS HE1 3.000 . 3.500 3.148 2.304 3.521 0.021 23 0 "[ . 1 . 2 . ]" 1
689 1 9 CYS HB2 1 34 HIS HD2 5.000 . 6.000 4.619 4.338 4.787 . 0 0 "[ . 1 . 2 . ]" 1
690 1 9 CYS HB2 1 34 HIS HE1 4.000 . 4.750 3.481 2.771 4.073 . 0 0 "[ . 1 . 2 . ]" 1
691 1 9 CYS HB2 1 34 HIS HE2 5.000 . 6.000 4.592 4.115 5.001 . 0 0 "[ . 1 . 2 . ]" 1
692 1 10 TRP HD1 1 30 LEU HA 4.000 . 4.750 2.473 1.915 2.747 . 0 0 "[ . 1 . 2 . ]" 1
693 1 10 TRP HD1 1 30 LEU MD1 4.000 . 4.750 3.753 3.301 4.052 . 0 0 "[ . 1 . 2 . ]" 1
694 1 10 TRP HD1 1 30 LEU MD2 5.000 . 6.000 3.239 2.956 4.354 . 0 0 "[ . 1 . 2 . ]" 1
695 1 10 TRP HD1 1 30 LEU QB 5.000 . 6.000 4.584 4.040 4.831 . 0 0 "[ . 1 . 2 . ]" 1
696 1 10 TRP HE1 1 30 LEU HA 4.000 . 4.750 2.927 2.406 3.320 . 0 0 "[ . 1 . 2 . ]" 1
697 1 10 TRP HE1 1 30 LEU HG 5.000 . 6.000 4.796 2.521 5.467 . 0 0 "[ . 1 . 2 . ]" 1
698 1 10 TRP HE1 1 30 LEU MD2 5.000 . 6.000 2.562 2.123 2.992 . 0 0 "[ . 1 . 2 . ]" 1
699 1 10 TRP HE1 1 30 LEU QB 5.000 . 6.000 4.683 3.256 5.151 . 0 0 "[ . 1 . 2 . ]" 1
700 1 10 TRP HZ2 1 30 LEU HA 5.000 . 6.000 4.984 4.681 5.275 . 0 0 "[ . 1 . 2 . ]" 1
701 1 10 TRP HD1 1 32 ASN H 4.000 . 4.750 4.206 3.696 4.535 . 0 0 "[ . 1 . 2 . ]" 1
702 1 10 TRP HD1 1 32 ASN HA 5.000 . 6.000 5.590 5.137 6.008 0.008 7 0 "[ . 1 . 2 . ]" 1
703 1 10 TRP HD1 1 32 ASN HB3 5.000 . 6.000 6.077 6.031 6.139 0.139 14 0 "[ . 1 . 2 . ]" 1
704 1 10 TRP H 1 33 VAL HA 3.000 . 3.500 3.461 3.232 3.590 0.090 7 0 "[ . 1 . 2 . ]" 1
705 1 10 TRP HD1 1 33 VAL HA 5.000 . 6.000 3.521 3.120 3.881 . 0 0 "[ . 1 . 2 . ]" 1
706 1 10 TRP HD1 1 33 VAL HB 3.000 . 3.500 2.481 1.960 3.118 . 0 0 "[ . 1 . 2 . ]" 1
707 1 10 TRP HD1 1 33 VAL MG1 5.000 . 6.000 4.023 3.408 4.671 . 0 0 "[ . 1 . 2 . ]" 1
708 1 10 TRP HD1 1 33 VAL MG2 4.000 . 4.750 3.489 3.108 3.933 . 0 0 "[ . 1 . 2 . ]" 1
709 1 10 TRP HE1 1 33 VAL HB 4.000 . 4.750 1.956 1.830 2.217 . 0 0 "[ . 1 . 2 . ]" 1
710 1 10 TRP HE1 1 33 VAL MG1 5.000 . 6.000 2.773 2.049 3.340 . 0 0 "[ . 1 . 2 . ]" 1
711 1 10 TRP HE1 1 33 VAL MG2 5.000 . 6.000 2.164 1.875 2.625 . 0 0 "[ . 1 . 2 . ]" 1
712 1 10 TRP HZ2 1 33 VAL HB 5.000 . 6.000 4.598 4.346 4.914 . 0 0 "[ . 1 . 2 . ]" 1
713 1 10 TRP HZ2 1 33 VAL MG1 5.000 . 6.000 4.292 3.931 4.582 . 0 0 "[ . 1 . 2 . ]" 1
714 1 10 TRP HZ2 1 33 VAL MG2 5.000 . 6.000 3.121 2.723 3.372 . 0 0 "[ . 1 . 2 . ]" 1
715 1 10 TRP HE1 1 34 HIS H 5.000 . 6.000 5.448 4.982 5.787 . 0 0 "[ . 1 . 2 . ]" 1
716 1 10 TRP HE1 1 38 LEU HB2 5.000 . 6.000 4.161 3.602 4.877 . 0 0 "[ . 1 . 2 . ]" 1
717 1 10 TRP HZ2 1 38 LEU MD1 5.000 . 6.000 2.270 1.859 2.629 . 0 0 "[ . 1 . 2 . ]" 1
718 1 10 TRP HZ2 1 38 LEU MD2 5.000 . 6.000 2.724 2.227 3.002 . 0 0 "[ . 1 . 2 . ]" 1
719 1 10 TRP HZ3 1 41 TRP HE1 5.000 . 6.000 4.999 4.546 5.652 . 0 0 "[ . 1 . 2 . ]" 1
720 1 10 TRP HZ3 1 41 TRP HZ2 5.000 . 6.000 4.064 3.716 4.397 . 0 0 "[ . 1 . 2 . ]" 1
721 1 10 TRP HH2 1 41 TRP HE1 5.000 . 6.000 4.967 4.508 5.670 . 0 0 "[ . 1 . 2 . ]" 1
722 1 10 TRP HH2 1 41 TRP HE3 5.000 . 6.000 3.827 3.551 4.244 . 0 0 "[ . 1 . 2 . ]" 1
723 1 10 TRP HH2 1 41 TRP HZ2 5.000 . 6.000 3.559 3.102 4.156 . 0 0 "[ . 1 . 2 . ]" 1
724 1 10 TRP HH2 1 41 TRP HZ3 4.000 . 4.750 3.085 2.695 3.579 . 0 0 "[ . 1 . 2 . ]" 1
725 1 10 TRP HH2 1 41 TRP HH2 5.000 . 6.000 2.928 2.592 3.358 . 0 0 "[ . 1 . 2 . ]" 1
726 1 11 ILE MD 1 21 PHE QE 5.000 . 6.000 4.285 4.125 4.463 . 0 0 "[ . 1 . 2 . ]" 1
727 1 11 ILE MD 1 30 LEU MD2 5.000 . 6.000 4.156 3.988 4.187 . 0 0 "[ . 1 . 2 . ]" 1
728 1 11 ILE H 1 33 VAL HA 5.000 . 6.000 4.416 4.294 4.593 . 0 0 "[ . 1 . 2 . ]" 1
729 1 11 ILE H 1 33 VAL MG2 5.000 . 6.000 3.366 3.021 3.572 . 0 0 "[ . 1 . 2 . ]" 1
730 1 11 ILE HG13 1 33 VAL MG1 5.000 . 6.000 4.707 4.279 4.985 . 0 0 "[ . 1 . 2 . ]" 1
731 1 11 ILE HG13 1 33 VAL MG2 5.000 . 6.000 2.259 1.976 2.619 . 0 0 "[ . 1 . 2 . ]" 1
732 1 11 ILE MD 1 33 VAL HB 5.000 . 6.000 4.004 3.789 4.198 . 0 0 "[ . 1 . 2 . ]" 1
733 1 11 ILE MD 1 33 VAL MG1 5.000 . 6.000 3.840 3.557 4.112 . 0 0 "[ . 1 . 2 . ]" 1
734 1 11 ILE MD 1 33 VAL MG2 5.000 . 6.000 1.958 1.797 2.124 0.003 12 0 "[ . 1 . 2 . ]" 1
735 1 11 ILE HG13 1 34 HIS H 5.000 . 6.000 4.590 4.109 5.225 . 0 0 "[ . 1 . 2 . ]" 1
736 1 11 ILE MD 1 34 HIS H 5.000 . 6.000 4.254 3.771 4.674 . 0 0 "[ . 1 . 2 . ]" 1
737 1 11 ILE HB 1 37 CYS HB3 4.000 . 4.750 4.774 4.459 4.825 0.075 22 0 "[ . 1 . 2 . ]" 1
738 1 11 ILE HB 1 37 CYS HB2 4.000 . 4.750 3.531 3.082 3.746 . 0 0 "[ . 1 . 2 . ]" 1
739 1 11 ILE MG 1 37 CYS HB3 5.000 . 6.000 4.072 3.439 4.328 . 0 0 "[ . 1 . 2 . ]" 1
740 1 11 ILE MG 1 37 CYS HB2 4.000 . 4.750 2.615 1.949 2.905 . 0 0 "[ . 1 . 2 . ]" 1
741 1 11 ILE MD 1 37 CYS H 5.000 . 6.000 4.619 4.412 4.852 . 0 0 "[ . 1 . 2 . ]" 1
742 1 11 ILE MD 1 37 CYS HA 5.000 . 6.000 4.725 4.520 4.965 . 0 0 "[ . 1 . 2 . ]" 1
743 1 11 ILE MD 1 37 CYS HB3 5.000 . 6.000 4.773 4.448 4.982 . 0 0 "[ . 1 . 2 . ]" 1
744 1 11 ILE MD 1 37 CYS HB2 5.000 . 6.000 3.553 2.932 3.837 . 0 0 "[ . 1 . 2 . ]" 1
745 1 11 ILE MD 1 38 LEU H 5.000 . 6.000 2.997 2.744 3.245 . 0 0 "[ . 1 . 2 . ]" 1
746 1 11 ILE MD 1 38 LEU HA 5.000 . 6.000 1.881 1.777 2.051 0.023 4 0 "[ . 1 . 2 . ]" 1
747 1 11 ILE MD 1 38 LEU HB3 5.000 . 6.000 3.107 2.979 3.251 . 0 0 "[ . 1 . 2 . ]" 1
748 1 11 ILE MD 1 38 LEU HB2 5.000 . 6.000 1.759 1.705 1.883 0.095 5 0 "[ . 1 . 2 . ]" 1
749 1 11 ILE MD 1 38 LEU HG 5.000 . 6.000 3.743 3.607 3.919 . 0 0 "[ . 1 . 2 . ]" 1
750 1 11 ILE MD 1 38 LEU MD1 5.000 . 6.000 1.841 1.710 2.065 0.090 27 0 "[ . 1 . 2 . ]" 1
751 1 11 ILE MD 1 38 LEU MD2 5.000 . 6.000 2.687 2.460 2.992 . 0 0 "[ . 1 . 2 . ]" 1
752 1 11 ILE MD 1 39 SER H 5.000 . 6.000 4.385 4.275 4.519 . 0 0 "[ . 1 . 2 . ]" 1
753 1 11 ILE MG 1 41 TRP HB2 5.000 . 6.000 2.810 2.434 3.126 . 0 0 "[ . 1 . 2 . ]" 1
754 1 11 ILE MG 1 41 TRP HE1 5.000 . 6.000 4.351 3.965 4.715 . 0 0 "[ . 1 . 2 . ]" 1
755 1 11 ILE MD 1 41 TRP H 5.000 . 6.000 4.294 4.110 4.495 . 0 0 "[ . 1 . 2 . ]" 1
756 1 11 ILE MD 1 41 TRP HB3 5.000 . 6.000 2.865 2.734 3.058 . 0 0 "[ . 1 . 2 . ]" 1
757 1 11 ILE MD 1 41 TRP HB2 5.000 . 6.000 3.435 3.140 3.691 . 0 0 "[ . 1 . 2 . ]" 1
758 1 11 ILE MD 1 41 TRP HD1 5.000 . 6.000 4.813 4.617 5.008 . 0 0 "[ . 1 . 2 . ]" 1
759 1 11 ILE MD 1 41 TRP HE3 5.000 . 6.000 3.067 2.829 3.376 . 0 0 "[ . 1 . 2 . ]" 1
760 1 11 ILE MD 1 41 TRP HZ3 5.000 . 6.000 4.129 3.695 4.518 . 0 0 "[ . 1 . 2 . ]" 1
761 1 14 GLU H 1 34 HIS HE1 4.000 . 4.750 3.763 2.946 4.650 . 0 0 "[ . 1 . 2 . ]" 1
762 1 14 GLU QB 1 34 HIS HE1 3.000 . 3.500 2.191 1.845 2.933 . 0 0 "[ . 1 . 2 . ]" 1
763 1 14 GLU QB 1 34 HIS HE2 5.000 . 6.000 4.455 3.828 5.258 . 0 0 "[ . 1 . 2 . ]" 1
764 1 14 GLU QG 1 34 HIS HE1 4.000 . 4.750 2.125 1.855 2.766 . 0 0 "[ . 1 . 2 . ]" 1
765 1 15 GLU H 1 34 HIS HE1 5.000 . 6.000 4.360 3.854 4.898 . 0 0 "[ . 1 . 2 . ]" 1
766 1 15 GLU HA 1 34 HIS HE1 5.000 . 6.000 4.594 3.977 5.103 . 0 0 "[ . 1 . 2 . ]" 1
767 1 16 LEU MD1 1 32 ASN HA 5.000 . 6.000 3.025 2.597 4.969 . 0 0 "[ . 1 . 2 . ]" 1
768 1 16 LEU MD1 1 32 ASN HB3 5.000 . 6.000 2.061 1.744 3.756 0.056 1 0 "[ . 1 . 2 . ]" 1
769 1 16 LEU MD1 1 32 ASN HB2 5.000 . 6.000 3.102 2.468 4.102 . 0 0 "[ . 1 . 2 . ]" 1
770 1 16 LEU MD2 1 32 ASN H 5.000 . 6.000 5.047 4.970 5.079 . 0 0 "[ . 1 . 2 . ]" 1
771 1 16 LEU MD2 1 32 ASN HA 5.000 . 6.000 4.381 3.404 4.616 . 0 0 "[ . 1 . 2 . ]" 1
772 1 16 LEU MD2 1 32 ASN HB3 5.000 . 6.000 2.834 1.993 3.220 . 0 0 "[ . 1 . 2 . ]" 1
773 1 16 LEU MD2 1 32 ASN HB2 5.000 . 6.000 3.127 2.918 3.363 . 0 0 "[ . 1 . 2 . ]" 1
774 1 16 LEU MD2 1 32 ASN QD 5.000 . 6.000 4.459 4.346 4.507 . 0 0 "[ . 1 . 2 . ]" 1
775 1 16 LEU MD1 1 33 VAL H 5.000 . 6.000 2.707 2.430 4.271 . 0 0 "[ . 1 . 2 . ]" 1
776 1 16 LEU MD1 1 33 VAL HA 5.000 . 6.000 2.852 2.687 3.063 . 0 0 "[ . 1 . 2 . ]" 1
777 1 16 LEU MD1 1 33 VAL MG2 5.000 . 6.000 4.215 4.171 4.252 . 0 0 "[ . 1 . 2 . ]" 1
778 1 16 LEU MD2 1 33 VAL H 5.000 . 6.000 4.200 3.630 4.466 . 0 0 "[ . 1 . 2 . ]" 1
779 1 16 LEU MD2 1 33 VAL HA 5.000 . 6.000 3.353 2.866 4.364 . 0 0 "[ . 1 . 2 . ]" 1
780 1 16 LEU H 1 34 HIS HE1 5.000 . 6.000 4.669 4.371 5.021 . 0 0 "[ . 1 . 2 . ]" 1
781 1 16 LEU HA 1 34 HIS HD2 4.000 . 4.750 3.854 3.402 4.272 . 0 0 "[ . 1 . 2 . ]" 1
782 1 16 LEU HA 1 34 HIS HE1 4.000 . 4.750 3.893 2.855 4.629 . 0 0 "[ . 1 . 2 . ]" 1
783 1 16 LEU HA 1 34 HIS HE2 4.000 . 4.750 2.088 1.853 2.324 . 0 0 "[ . 1 . 2 . ]" 1
784 1 16 LEU HB3 1 34 HIS HD2 5.000 . 6.000 2.851 2.273 3.400 . 0 0 "[ . 1 . 2 . ]" 1
785 1 16 LEU HB3 1 34 HIS HE1 5.000 . 6.000 3.372 2.894 4.005 . 0 0 "[ . 1 . 2 . ]" 1
786 1 16 LEU HB3 1 34 HIS HE2 5.000 . 6.000 2.308 2.061 2.828 . 0 0 "[ . 1 . 2 . ]" 1
787 1 16 LEU HB2 1 34 HIS HD2 5.000 . 6.000 3.198 2.503 3.784 . 0 0 "[ . 1 . 2 . ]" 1
788 1 16 LEU HB2 1 34 HIS HE1 5.000 . 6.000 4.959 4.189 5.597 . 0 0 "[ . 1 . 2 . ]" 1
789 1 16 LEU HG 1 34 HIS H 5.000 . 6.000 5.884 3.797 6.064 0.064 19 0 "[ . 1 . 2 . ]" 1
790 1 16 LEU HG 1 34 HIS HD2 5.000 . 6.000 5.361 3.589 5.790 . 0 0 "[ . 1 . 2 . ]" 1
791 1 16 LEU HG 1 34 HIS HE1 5.000 . 6.000 5.710 5.191 6.057 0.057 19 0 "[ . 1 . 2 . ]" 1
792 1 16 LEU MD1 1 34 HIS H 5.000 . 6.000 3.271 2.787 3.537 . 0 0 "[ . 1 . 2 . ]" 1
793 1 16 LEU MD1 1 34 HIS HA 5.000 . 6.000 3.306 2.748 3.880 . 0 0 "[ . 1 . 2 . ]" 1
794 1 16 LEU MD1 1 34 HIS HD2 5.000 . 6.000 3.768 3.073 4.128 . 0 0 "[ . 1 . 2 . ]" 1
795 1 16 LEU MD1 1 34 HIS HE1 5.000 . 6.000 4.742 2.509 5.041 . 0 0 "[ . 1 . 2 . ]" 1
796 1 16 LEU MD1 1 34 HIS HE2 5.000 . 6.000 4.200 2.631 4.684 . 0 0 "[ . 1 . 2 . ]" 1
797 1 16 LEU MD2 1 34 HIS H 5.000 . 6.000 3.885 3.494 5.025 . 0 0 "[ . 1 . 2 . ]" 1
798 1 16 LEU MD2 1 34 HIS HA 5.000 . 6.000 4.758 4.272 5.034 . 0 0 "[ . 1 . 2 . ]" 1
799 1 16 LEU MD2 1 34 HIS HD2 5.000 . 6.000 4.521 3.951 5.040 . 0 0 "[ . 1 . 2 . ]" 1
800 1 16 LEU MD2 1 34 HIS HE1 5.000 . 6.000 3.450 2.722 5.048 . 0 0 "[ . 1 . 2 . ]" 1
801 1 16 LEU MD2 1 34 HIS HE2 5.000 . 6.000 3.632 2.621 4.605 . 0 0 "[ . 1 . 2 . ]" 1
802 1 19 GLU QB 1 34 HIS HD2 4.000 . 4.750 3.265 2.710 3.868 . 0 0 "[ . 1 . 2 . ]" 1
803 1 19 GLU QG 1 34 HIS HD2 5.000 . 6.000 2.837 1.842 4.516 . 0 0 "[ . 1 . 2 . ]" 1
804 1 21 PHE H 1 32 ASN HA 5.000 . 6.000 5.842 5.449 6.028 0.028 16 0 "[ . 1 . 2 . ]" 1
805 1 21 PHE H 1 33 VAL H 5.000 . 6.000 5.408 5.046 5.629 . 0 0 "[ . 1 . 2 . ]" 1
806 1 21 PHE HB3 1 33 VAL H 5.000 . 6.000 4.146 3.953 4.464 . 0 0 "[ . 1 . 2 . ]" 1
807 1 21 PHE HB3 1 33 VAL MG1 5.000 . 6.000 3.409 2.940 3.793 . 0 0 "[ . 1 . 2 . ]" 1
808 1 21 PHE HB2 1 33 VAL MG1 5.000 . 6.000 4.573 4.081 4.900 . 0 0 "[ . 1 . 2 . ]" 1
809 1 21 PHE QD 1 33 VAL H 5.000 . 6.000 4.303 4.089 4.503 . 0 0 "[ . 1 . 2 . ]" 1
810 1 21 PHE QD 1 33 VAL HB 5.000 . 6.000 5.196 4.910 5.361 . 0 0 "[ . 1 . 2 . ]" 1
811 1 21 PHE QD 1 33 VAL MG1 4.000 . 4.750 2.354 1.913 2.673 . 0 0 "[ . 1 . 2 . ]" 1
812 1 21 PHE QD 1 33 VAL MG2 4.000 . 4.750 3.260 2.921 3.510 . 0 0 "[ . 1 . 2 . ]" 1
813 1 21 PHE QE 1 33 VAL HB 5.000 . 6.000 5.370 5.142 5.411 . 0 0 "[ . 1 . 2 . ]" 1
814 1 21 PHE QE 1 33 VAL MG1 5.000 . 6.000 2.901 2.584 3.248 . 0 0 "[ . 1 . 2 . ]" 1
815 1 21 PHE QE 1 33 VAL MG2 5.000 . 6.000 2.953 2.617 3.308 . 0 0 "[ . 1 . 2 . ]" 1
816 1 21 PHE QD 1 34 HIS HA 5.000 . 6.000 4.073 3.738 4.552 . 0 0 "[ . 1 . 2 . ]" 1
817 1 21 PHE HB2 1 35 ARG H 5.000 . 6.000 3.594 3.295 3.943 . 0 0 "[ . 1 . 2 . ]" 1
818 1 21 PHE HB2 1 35 ARG HB2 5.000 . 6.000 2.081 1.869 2.363 . 0 0 "[ . 1 . 2 . ]" 1
819 1 21 PHE QD 1 35 ARG H 5.000 . 6.000 3.009 2.460 3.245 . 0 0 "[ . 1 . 2 . ]" 1
820 1 21 PHE QD 1 35 ARG HA 3.000 . 3.500 2.284 2.156 2.448 . 0 0 "[ . 1 . 2 . ]" 1
821 1 21 PHE QD 1 35 ARG HB3 4.000 . 4.750 4.029 3.521 4.285 . 0 0 "[ . 1 . 2 . ]" 1
822 1 21 PHE QD 1 35 ARG HB2 4.000 . 4.750 2.758 2.194 3.175 . 0 0 "[ . 1 . 2 . ]" 1
823 1 21 PHE QD 1 35 ARG QG 4.000 . 4.750 3.349 2.393 3.789 . 0 0 "[ . 1 . 2 . ]" 1
824 1 21 PHE QD 1 35 ARG QD 4.000 . 4.750 3.069 2.369 3.784 . 0 0 "[ . 1 . 2 . ]" 1
825 1 21 PHE QE 1 35 ARG H 5.000 . 6.000 4.652 4.286 4.911 . 0 0 "[ . 1 . 2 . ]" 1
826 1 21 PHE QE 1 35 ARG HA 4.000 . 4.750 2.321 2.026 2.577 . 0 0 "[ . 1 . 2 . ]" 1
827 1 21 PHE QE 1 35 ARG HB2 5.000 . 6.000 4.131 3.669 4.628 . 0 0 "[ . 1 . 2 . ]" 1
828 1 21 PHE QE 1 35 ARG QG 5.000 . 6.000 3.342 2.752 3.892 . 0 0 "[ . 1 . 2 . ]" 1
829 1 21 PHE QE 1 35 ARG QD 4.000 . 4.750 3.579 2.968 3.808 . 0 0 "[ . 1 . 2 . ]" 1
830 1 21 PHE HB2 1 36 SER H 5.000 . 6.000 5.847 5.641 6.028 0.028 13 0 "[ . 1 . 2 . ]" 1
831 1 21 PHE HZ 1 38 LEU HB3 4.000 . 4.750 4.026 3.812 4.307 . 0 0 "[ . 1 . 2 . ]" 1
832 1 21 PHE HZ 1 38 LEU MD1 4.000 . 4.750 3.951 3.850 3.983 . 0 0 "[ . 1 . 2 . ]" 1
833 1 21 PHE HZ 1 38 LEU MD2 4.000 . 4.750 2.645 2.129 2.931 . 0 0 "[ . 1 . 2 . ]" 1
834 1 21 PHE QD 1 38 LEU HB3 5.000 . 6.000 3.534 3.400 3.691 . 0 0 "[ . 1 . 2 . ]" 1
835 1 21 PHE QD 1 38 LEU HB2 5.000 . 6.000 4.514 4.324 4.740 . 0 0 "[ . 1 . 2 . ]" 1
836 1 21 PHE QD 1 38 LEU MD2 5.000 . 6.000 3.057 2.889 3.390 . 0 0 "[ . 1 . 2 . ]" 1
837 1 21 PHE QE 1 38 LEU HB3 5.000 . 6.000 1.959 1.855 2.142 . 0 0 "[ . 1 . 2 . ]" 1
838 1 21 PHE QE 1 38 LEU HB2 5.000 . 6.000 3.143 3.016 3.393 . 0 0 "[ . 1 . 2 . ]" 1
839 1 21 PHE QE 1 38 LEU MD1 5.000 . 6.000 3.624 3.553 3.752 . 0 0 "[ . 1 . 2 . ]" 1
840 1 21 PHE QE 1 38 LEU MD2 4.000 . 4.750 1.857 1.804 1.971 . 0 0 "[ . 1 . 2 . ]" 1
841 1 21 PHE QD 1 39 SER QB 5.000 . 6.000 4.769 4.698 4.800 . 0 0 "[ . 1 . 2 . ]" 1
842 1 21 PHE QD 1 58 ASN QB 5.000 . 6.000 4.733 4.578 4.802 . 0 0 "[ . 1 . 2 . ]" 1
843 1 21 PHE QE 1 58 ASN QB 5.000 . 6.000 4.010 3.707 4.619 . 0 0 "[ . 1 . 2 . ]" 1
844 1 21 PHE HZ 1 59 THR MG 5.000 . 6.000 2.389 1.752 3.385 0.048 18 0 "[ . 1 . 2 . ]" 1
845 1 21 PHE QD 1 59 THR HA 4.000 . 4.750 3.647 2.772 4.144 . 0 0 "[ . 1 . 2 . ]" 1
846 1 21 PHE QD 1 59 THR HB 5.000 . 6.000 5.297 5.115 5.372 . 0 0 "[ . 1 . 2 . ]" 1
847 1 21 PHE QD 1 59 THR MG 5.000 . 6.000 3.934 3.365 4.454 . 0 0 "[ . 1 . 2 . ]" 1
848 1 21 PHE QE 1 59 THR HA 4.000 . 4.750 2.754 2.290 3.392 . 0 0 "[ . 1 . 2 . ]" 1
849 1 21 PHE QE 1 59 THR MG 5.000 . 6.000 2.200 1.758 2.816 0.042 11 0 "[ . 1 . 2 . ]" 1
850 1 21 PHE QD 1 60 ARG H 5.000 . 6.000 4.650 2.937 5.369 . 0 0 "[ . 1 . 2 . ]" 1
851 1 21 PHE QE 1 60 ARG H 5.000 . 6.000 4.707 3.822 5.290 . 0 0 "[ . 1 . 2 . ]" 1
852 1 23 ALA H 1 31 GLU HA 5.000 . 6.000 5.951 5.518 6.084 0.084 7 0 "[ . 1 . 2 . ]" 1
853 1 23 ALA H 1 33 VAL MG1 5.000 . 6.000 3.901 3.358 4.242 . 0 0 "[ . 1 . 2 . ]" 1
854 1 23 ALA MB 1 33 VAL MG1 5.000 . 6.000 2.427 1.844 2.722 . 0 0 "[ . 1 . 2 . ]" 1
855 1 23 ALA MB 1 33 VAL MG2 5.000 . 6.000 3.798 3.379 4.116 . 0 0 "[ . 1 . 2 . ]" 1
856 1 23 ALA MB 1 38 LEU MD1 5.000 . 6.000 3.592 3.450 3.751 . 0 0 "[ . 1 . 2 . ]" 1
857 1 23 ALA MB 1 38 LEU MD2 5.000 . 6.000 1.853 1.696 2.113 0.104 16 0 "[ . 1 . 2 . ]" 1
858 1 23 ALA HA 1 57 TYR QD 5.000 . 6.000 3.194 3.128 3.308 . 0 0 "[ . 1 . 2 . ]" 1
859 1 23 ALA HA 1 57 TYR QE 5.000 . 6.000 5.386 5.305 5.432 . 0 0 "[ . 1 . 2 . ]" 1
860 1 23 ALA MB 1 57 TYR HB3 5.000 . 6.000 2.788 2.369 3.589 . 0 0 "[ . 1 . 2 . ]" 1
861 1 23 ALA MB 1 57 TYR HB2 5.000 . 6.000 4.178 3.786 5.008 . 0 0 "[ . 1 . 2 . ]" 1
862 1 23 ALA MB 1 57 TYR QD 4.000 . 4.750 2.425 1.969 3.283 . 0 0 "[ . 1 . 2 . ]" 1
863 1 23 ALA MB 1 57 TYR QE 5.000 . 6.000 3.953 3.544 4.419 . 0 0 "[ . 1 . 2 . ]" 1
864 1 23 ALA HA 1 58 ASN H 4.000 . 4.750 3.918 2.268 4.624 . 0 0 "[ . 1 . 2 . ]" 1
865 1 23 ALA HA 1 58 ASN QB 5.000 . 6.000 3.678 3.442 4.080 . 0 0 "[ . 1 . 2 . ]" 1
866 1 23 ALA MB 1 58 ASN H 5.000 . 6.000 4.736 3.682 5.029 . 0 0 "[ . 1 . 2 . ]" 1
867 1 24 CYS HB3 1 30 LEU MD1 4.000 . 4.750 2.146 1.705 4.031 0.095 5 0 "[ . 1 . 2 . ]" 1
868 1 24 CYS H 1 33 VAL MG1 5.000 . 6.000 4.509 3.290 5.001 . 0 0 "[ . 1 . 2 . ]" 1
869 1 24 CYS HB3 1 50 CYS HB3 4.000 . 4.750 4.505 4.065 4.838 0.088 19 0 "[ . 1 . 2 . ]" 1
870 1 24 CYS HB3 1 50 CYS HB2 4.000 . 4.750 3.531 2.926 4.578 . 0 0 "[ . 1 . 2 . ]" 1
871 1 24 CYS HB2 1 50 CYS HB2 4.000 . 4.750 2.333 1.837 3.828 . 0 0 "[ . 1 . 2 . ]" 1
872 1 24 CYS HA 1 55 VAL HB 4.000 . 4.750 2.125 1.831 3.034 . 0 0 "[ . 1 . 2 . ]" 1
873 1 24 CYS HA 1 55 VAL MG1 4.000 . 4.750 1.841 1.716 1.923 0.084 16 0 "[ . 1 . 2 . ]" 1
874 1 24 CYS HB3 1 55 VAL H 5.000 . 6.000 5.998 5.798 6.059 0.059 16 0 "[ . 1 . 2 . ]" 1
875 1 24 CYS HB3 1 55 VAL HB 4.000 . 4.750 4.182 4.030 4.351 . 0 0 "[ . 1 . 2 . ]" 1
876 1 24 CYS HB3 1 55 VAL MG1 5.000 . 6.000 4.245 3.911 4.550 . 0 0 "[ . 1 . 2 . ]" 1
877 1 24 CYS HB3 1 55 VAL MG2 5.000 . 6.000 4.883 4.463 5.027 . 0 0 "[ . 1 . 2 . ]" 1
878 1 24 CYS HB2 1 55 VAL HB 4.000 . 4.750 2.999 2.478 4.587 . 0 0 "[ . 1 . 2 . ]" 1
879 1 24 CYS HB2 1 55 VAL MG1 5.000 . 6.000 3.584 2.775 4.309 . 0 0 "[ . 1 . 2 . ]" 1
880 1 24 CYS HB2 1 57 TYR QD 4.000 . 4.750 3.746 3.235 4.170 . 0 0 "[ . 1 . 2 . ]" 1
881 1 24 CYS HB2 1 57 TYR QE 4.000 . 4.750 3.548 2.597 4.099 . 0 0 "[ . 1 . 2 . ]" 1
882 1 25 GLY H 1 50 CYS HB2 5.000 . 6.000 5.105 4.710 5.412 . 0 0 "[ . 1 . 2 . ]" 1
883 1 25 GLY H 1 53 CYS HB3 5.000 . 6.000 4.798 3.825 5.686 . 0 0 "[ . 1 . 2 . ]" 1
884 1 25 GLY H 1 55 VAL H 5.000 . 6.000 5.003 4.634 5.437 . 0 0 "[ . 1 . 2 . ]" 1
885 1 25 GLY H 1 55 VAL HB 3.000 . 3.500 3.168 2.713 3.524 0.024 15 0 "[ . 1 . 2 . ]" 1
886 1 25 GLY H 1 55 VAL MG2 4.000 . 4.750 2.356 1.839 3.275 . 0 0 "[ . 1 . 2 . ]" 1
887 1 25 GLY QA 1 55 VAL MG2 4.000 . 4.750 3.450 3.100 3.552 . 0 0 "[ . 1 . 2 . ]" 1
888 1 26 CYS H 1 50 CYS HB2 5.000 . 6.000 5.991 5.742 6.070 0.070 19 0 "[ . 1 . 2 . ]" 1
889 1 26 CYS H 1 53 CYS HB3 5.000 . 6.000 4.585 2.969 5.504 . 0 0 "[ . 1 . 2 . ]" 1
890 1 26 CYS H 1 53 CYS HB2 5.000 . 6.000 5.169 3.321 6.023 0.023 25 0 "[ . 1 . 2 . ]" 1
891 1 26 CYS HA 1 53 CYS HB2 5.000 . 6.000 4.328 3.247 5.137 . 0 0 "[ . 1 . 2 . ]" 1
892 1 26 CYS H 1 55 VAL MG2 5.000 . 6.000 4.167 2.642 4.765 . 0 0 "[ . 1 . 2 . ]" 1
893 1 30 LEU MD2 1 38 LEU MD1 5.000 . 6.000 4.147 3.999 4.188 . 0 0 "[ . 1 . 2 . ]" 1
894 1 30 LEU MD2 1 41 TRP HZ3 5.000 . 6.000 4.974 4.705 5.036 . 0 0 "[ . 1 . 2 . ]" 1
895 1 30 LEU MD1 1 52 ILE HB 5.000 . 6.000 4.895 3.456 5.037 . 0 0 "[ . 1 . 2 . ]" 1
896 1 33 VAL MG1 1 38 LEU MD2 4.000 . 4.750 1.776 1.675 1.939 0.125 11 0 "[ . 1 . 2 . ]" 1
897 1 33 VAL MG2 1 38 LEU MD2 5.000 . 6.000 1.737 1.586 2.002 0.214 25 0 "[ . 1 . 2 . ]" 1
898 1 38 LEU MD1 1 57 TYR QD 5.000 . 6.000 3.559 3.229 3.863 . 0 0 "[ . 1 . 2 . ]" 1
899 1 38 LEU MD1 1 57 TYR QE 5.000 . 6.000 3.520 2.910 3.892 . 0 0 "[ . 1 . 2 . ]" 1
900 1 38 LEU MD2 1 57 TYR HB3 5.000 . 6.000 3.489 3.222 3.600 . 0 0 "[ . 1 . 2 . ]" 1
901 1 38 LEU MD2 1 57 TYR HB2 5.000 . 6.000 4.969 4.705 5.041 . 0 0 "[ . 1 . 2 . ]" 1
902 1 38 LEU MD2 1 57 TYR QD 5.000 . 6.000 3.270 2.574 3.842 . 0 0 "[ . 1 . 2 . ]" 1
903 1 38 LEU MD2 1 57 TYR QE 5.000 . 6.000 3.994 3.335 4.468 . 0 0 "[ . 1 . 2 . ]" 1
904 1 39 SER HA 1 59 THR MG 5.000 . 6.000 2.773 1.965 4.064 . 0 0 "[ . 1 . 2 . ]" 1
905 1 41 TRP HE3 1 47 ASN QD 5.000 . 6.000 4.684 3.685 5.273 . 0 0 "[ . 1 . 2 . ]" 1
906 1 41 TRP HH2 1 50 CYS HA 4.000 . 4.750 4.676 4.040 4.815 0.065 26 0 "[ . 1 . 2 . ]" 1
907 1 41 TRP HE3 1 57 TYR QD 5.000 . 6.000 5.272 5.049 5.394 . 0 0 "[ . 1 . 2 . ]" 1
908 1 42 LEU HA 1 47 ASN H 4.000 . 4.750 3.125 2.678 3.640 . 0 0 "[ . 1 . 2 . ]" 1
909 1 42 LEU HA 1 47 ASN QD 5.000 . 6.000 3.247 2.016 4.530 . 0 0 "[ . 1 . 2 . ]" 1
910 1 42 LEU MD1 1 47 ASN H 5.000 . 6.000 3.452 3.148 3.828 . 0 0 "[ . 1 . 2 . ]" 1
911 1 42 LEU MD2 1 47 ASN H 5.000 . 6.000 5.020 4.935 5.044 . 0 0 "[ . 1 . 2 . ]" 1
912 1 42 LEU MD2 1 47 ASN HB3 5.000 . 6.000 4.537 4.137 5.028 . 0 0 "[ . 1 . 2 . ]" 1
913 1 42 LEU MD2 1 47 ASN HB2 5.000 . 6.000 4.215 3.882 4.600 . 0 0 "[ . 1 . 2 . ]" 1
914 1 42 LEU HG 1 57 TYR QE 5.000 . 6.000 5.190 4.808 5.371 . 0 0 "[ . 1 . 2 . ]" 1
915 1 42 LEU MD1 1 57 TYR HB3 5.000 . 6.000 4.248 3.759 4.598 . 0 0 "[ . 1 . 2 . ]" 1
916 1 42 LEU MD1 1 57 TYR QD 5.000 . 6.000 2.864 2.535 3.117 . 0 0 "[ . 1 . 2 . ]" 1
917 1 42 LEU MD1 1 57 TYR QE 5.000 . 6.000 4.013 3.549 4.362 . 0 0 "[ . 1 . 2 . ]" 1
918 1 42 LEU MD2 1 57 TYR QD 5.000 . 6.000 2.292 1.959 2.639 . 0 0 "[ . 1 . 2 . ]" 1
919 1 42 LEU MD2 1 57 TYR QE 4.000 . 4.750 3.211 2.899 3.488 . 0 0 "[ . 1 . 2 . ]" 1
920 1 47 ASN HB3 1 57 TYR QD 4.000 . 4.750 4.163 4.068 4.257 . 0 0 "[ . 1 . 2 . ]" 1
921 1 47 ASN HB3 1 57 TYR QE 3.000 . 3.500 1.891 1.841 1.997 . 0 0 "[ . 1 . 2 . ]" 1
922 1 47 ASN HB2 1 57 TYR QD 5.000 . 6.000 4.444 3.812 4.945 . 0 0 "[ . 1 . 2 . ]" 1
923 1 47 ASN HB2 1 57 TYR QE 3.000 . 3.500 2.745 2.119 3.117 . 0 0 "[ . 1 . 2 . ]" 1
924 1 48 THR HB 1 56 VAL MG1 5.000 . 6.000 3.495 2.934 4.064 . 0 0 "[ . 1 . 2 . ]" 1
925 1 48 THR HB 1 56 VAL MG2 5.000 . 6.000 4.789 4.277 5.018 . 0 0 "[ . 1 . 2 . ]" 1
926 1 48 THR HA 1 57 TYR QD 4.000 . 4.750 2.345 1.874 2.725 . 0 0 "[ . 1 . 2 . ]" 1
927 1 48 THR HA 1 57 TYR QE 5.000 . 6.000 3.423 2.856 3.836 . 0 0 "[ . 1 . 2 . ]" 1
928 1 48 THR HB 1 57 TYR QD 5.000 . 6.000 4.553 4.102 5.035 . 0 0 "[ . 1 . 2 . ]" 1
929 1 48 THR MG 1 57 TYR QD 5.000 . 6.000 4.207 3.449 4.466 . 0 0 "[ . 1 . 2 . ]" 1
930 1 48 THR MG 1 57 TYR QE 5.000 . 6.000 4.425 4.233 4.534 . 0 0 "[ . 1 . 2 . ]" 1
931 1 49 ALA MB 1 54 GLY H 5.000 . 6.000 4.886 4.604 5.013 . 0 0 "[ . 1 . 2 . ]" 1
932 1 49 ALA HA 1 56 VAL HA 3.000 . 3.500 1.861 1.791 1.992 0.009 27 0 "[ . 1 . 2 . ]" 1
933 1 49 ALA HA 1 56 VAL MG1 5.000 . 6.000 3.308 3.212 3.453 . 0 0 "[ . 1 . 2 . ]" 1
934 1 49 ALA HA 1 56 VAL MG2 5.000 . 6.000 3.785 3.638 3.968 . 0 0 "[ . 1 . 2 . ]" 1
935 1 49 ALA MB 1 56 VAL HA 3.000 . 3.500 1.908 1.807 2.131 . 0 0 "[ . 1 . 2 . ]" 1
936 1 49 ALA H 1 57 TYR QD 5.000 . 6.000 3.892 3.112 4.559 . 0 0 "[ . 1 . 2 . ]" 1
937 1 49 ALA H 1 57 TYR QE 4.000 . 4.750 2.823 2.237 3.510 . 0 0 "[ . 1 . 2 . ]" 1
938 1 49 ALA HA 1 57 TYR H 3.000 . 3.500 2.391 1.994 2.708 . 0 0 "[ . 1 . 2 . ]" 1
939 1 49 ALA HA 1 57 TYR QD 4.000 . 4.750 3.423 3.293 3.557 . 0 0 "[ . 1 . 2 . ]" 1
940 1 49 ALA HA 1 57 TYR QE 5.000 . 6.000 3.446 3.121 3.807 . 0 0 "[ . 1 . 2 . ]" 1
941 1 49 ALA MB 1 57 TYR H 4.000 . 4.750 3.495 3.309 3.721 . 0 0 "[ . 1 . 2 . ]" 1
942 1 49 ALA MB 1 57 TYR QD 5.000 . 6.000 4.455 4.372 4.490 . 0 0 "[ . 1 . 2 . ]" 1
943 1 49 ALA MB 1 57 TYR QE 5.000 . 6.000 4.210 4.106 4.341 . 0 0 "[ . 1 . 2 . ]" 1
944 1 50 CYS H 1 55 VAL H 4.000 . 4.750 3.394 2.989 4.018 . 0 0 "[ . 1 . 2 . ]" 1
945 1 50 CYS HB3 1 55 VAL H 4.000 . 4.750 2.299 1.865 2.797 . 0 0 "[ . 1 . 2 . ]" 1
946 1 50 CYS HB2 1 55 VAL H 4.000 . 4.750 3.916 3.463 4.465 . 0 0 "[ . 1 . 2 . ]" 1
947 1 50 CYS H 1 56 VAL H 5.000 . 6.000 4.737 4.506 5.100 . 0 0 "[ . 1 . 2 . ]" 1
948 1 50 CYS H 1 56 VAL HA 4.000 . 4.750 3.436 3.300 3.558 . 0 0 "[ . 1 . 2 . ]" 1
949 1 50 CYS H 1 56 VAL MG1 5.000 . 6.000 5.039 4.999 5.088 . 0 0 "[ . 1 . 2 . ]" 1
950 1 50 CYS H 1 56 VAL MG2 5.000 . 6.000 4.866 4.706 5.012 . 0 0 "[ . 1 . 2 . ]" 1
951 1 50 CYS H 1 57 TYR H 4.000 . 4.750 4.124 3.719 4.417 . 0 0 "[ . 1 . 2 . ]" 1
952 1 50 CYS H 1 57 TYR HB2 5.000 . 6.000 5.874 5.574 6.043 0.043 13 0 "[ . 1 . 2 . ]" 1
953 1 50 CYS H 1 57 TYR QD 4.000 . 4.750 3.591 3.234 4.211 . 0 0 "[ . 1 . 2 . ]" 1
954 1 50 CYS HA 1 57 TYR QD 5.000 . 6.000 4.774 4.328 5.283 . 0 0 "[ . 1 . 2 . ]" 1
955 1 50 CYS HA 1 57 TYR QE 4.000 . 4.750 2.617 2.046 3.517 . 0 0 "[ . 1 . 2 . ]" 1
956 1 50 CYS HB3 1 57 TYR QE 4.000 . 4.750 3.732 3.036 4.239 . 0 0 "[ . 1 . 2 . ]" 1
957 1 50 CYS HB2 1 57 TYR QD 5.000 . 6.000 3.861 3.559 4.406 . 0 0 "[ . 1 . 2 . ]" 1
958 1 50 CYS HB2 1 57 TYR QE 4.000 . 4.750 2.302 1.990 2.727 . 0 0 "[ . 1 . 2 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 20
_Distance_constraint_stats_list.Viol_count 217
_Distance_constraint_stats_list.Viol_total 292.539
_Distance_constraint_stats_list.Viol_max 0.214
_Distance_constraint_stats_list.Viol_rms 0.0380
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0187
_Distance_constraint_stats_list.Viol_average_violations_only 0.0481
_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 9 CYS 1.768 0.130 22 0 "[ . 1 . 2 . ]"
1 12 CYS 1.316 0.065 1 0 "[ . 1 . 2 . ]"
1 24 CYS 2.310 0.088 13 0 "[ . 1 . 2 . ]"
1 26 CYS 1.475 0.081 5 0 "[ . 1 . 2 . ]"
1 34 HIS 5.141 0.214 14 0 "[ . 1 . 2 . ]"
1 37 CYS 6.140 0.214 14 0 "[ . 1 . 2 . ]"
1 50 CYS 1.041 0.081 5 0 "[ . 1 . 2 . ]"
1 53 CYS 1.656 0.088 13 0 "[ . 1 . 2 . ]"
2 1 ZN 0.042 0.014 28 0 "[ . 1 . 2 . ]"
3 1 ZN 0.006 0.005 10 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 9 CYS SG 2 1 ZN ZN 2.300 2.200 2.400 2.323 2.199 2.411 0.011 1 0 "[ . 1 . 2 . ]" 2
2 1 12 CYS SG 2 1 ZN ZN 2.300 2.200 2.400 2.296 2.186 2.398 0.014 28 0 "[ . 1 . 2 . ]" 2
3 1 34 HIS ND1 2 1 ZN ZN 2.300 2.200 2.400 2.282 2.201 2.400 0.000 9 0 "[ . 1 . 2 . ]" 2
4 1 37 CYS SG 2 1 ZN ZN 2.300 2.200 2.400 2.321 2.193 2.404 0.007 15 0 "[ . 1 . 2 . ]" 2
5 1 9 CYS SG 1 12 CYS SG 3.750 3.550 3.950 3.631 3.516 3.901 0.034 13 0 "[ . 1 . 2 . ]" 2
6 1 9 CYS SG 1 34 HIS ND1 3.750 3.550 3.950 3.741 3.512 3.949 0.038 22 0 "[ . 1 . 2 . ]" 2
7 1 9 CYS SG 1 37 CYS SG 3.750 3.550 3.950 3.518 3.420 3.930 0.130 22 0 "[ . 1 . 2 . ]" 2
8 1 12 CYS SG 1 34 HIS ND1 3.750 3.550 3.950 3.542 3.485 3.783 0.065 1 0 "[ . 1 . 2 . ]" 2
9 1 12 CYS SG 1 37 CYS SG 3.750 3.550 3.950 3.872 3.543 4.003 0.053 22 0 "[ . 1 . 2 . ]" 2
10 1 34 HIS ND1 1 37 CYS SG 3.750 3.550 3.950 4.102 3.992 4.164 0.214 14 0 "[ . 1 . 2 . ]" 2
11 1 24 CYS SG 3 1 ZN ZN 2.300 2.200 2.400 2.283 2.201 2.398 . 0 0 "[ . 1 . 2 . ]" 2
12 1 26 CYS SG 3 1 ZN ZN 2.300 2.200 2.400 2.268 2.210 2.348 . 0 0 "[ . 1 . 2 . ]" 2
13 1 50 CYS SG 3 1 ZN ZN 2.300 2.200 2.400 2.303 2.203 2.405 0.005 10 0 "[ . 1 . 2 . ]" 2
14 1 53 CYS SG 3 1 ZN ZN 2.300 2.200 2.400 2.303 2.199 2.390 0.001 15 0 "[ . 1 . 2 . ]" 2
15 1 24 CYS SG 1 26 CYS SG 3.750 3.550 3.950 3.548 3.469 3.785 0.081 14 0 "[ . 1 . 2 . ]" 2
16 1 24 CYS SG 1 50 CYS SG 3.750 3.550 3.950 3.573 3.504 3.830 0.046 18 0 "[ . 1 . 2 . ]" 2
17 1 24 CYS SG 1 53 CYS SG 3.750 3.550 3.950 3.506 3.462 3.537 0.088 13 0 "[ . 1 . 2 . ]" 2
18 1 26 CYS SG 1 50 CYS SG 3.750 3.550 3.950 3.918 3.596 4.031 0.081 5 0 "[ . 1 . 2 . ]" 2
19 1 26 CYS SG 1 53 CYS SG 3.750 3.550 3.950 3.890 3.621 3.992 0.042 9 0 "[ . 1 . 2 . ]" 2
20 1 50 CYS SG 1 53 CYS SG 3.750 3.550 3.950 3.825 3.549 4.020 0.070 13 0 "[ . 1 . 2 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 109
_Distance_constraint_stats_list.Viol_total 109.170
_Distance_constraint_stats_list.Viol_max 0.222
_Distance_constraint_stats_list.Viol_rms 0.0247
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0116
_Distance_constraint_stats_list.Viol_average_violations_only 0.0358
_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 7 PRO 1.533 0.222 5 0 "[ . 1 . 2 . ]"
1 9 CYS 1.292 0.077 16 0 "[ . 1 . 2 . ]"
1 13 ASN 0.617 0.059 28 0 "[ . 1 . 2 . ]"
1 14 GLU 0.675 0.077 16 0 "[ . 1 . 2 . ]"
1 16 LEU 1.533 0.222 5 0 "[ . 1 . 2 . ]"
1 34 HIS 1.008 0.071 19 0 "[ . 1 . 2 . ]"
1 37 CYS 0.065 0.020 1 0 "[ . 1 . 2 . ]"
1 38 LEU 1.008 0.071 19 0 "[ . 1 . 2 . ]"
1 41 TRP 0.065 0.020 1 0 "[ . 1 . 2 . ]"
1 42 LEU 0.000 0.000 . 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 9 CYS H 1 14 GLU O 1.950 . 2.100 1.798 1.723 2.087 0.077 16 0 "[ . 1 . 2 . ]" 3
2 1 9 CYS N 1 14 GLU O 2.900 2.700 3.100 2.760 2.682 3.061 0.018 16 0 "[ . 1 . 2 . ]" 3
3 1 9 CYS O 1 13 ASN H 1.950 . 2.100 2.000 1.845 2.124 0.024 5 0 "[ . 1 . 2 . ]" 3
4 1 9 CYS O 1 13 ASN N 2.900 2.700 3.100 2.695 2.641 2.846 0.059 28 0 "[ . 1 . 2 . ]" 3
5 1 7 PRO O 1 16 LEU H 1.950 . 2.100 2.137 1.911 2.322 0.222 5 0 "[ . 1 . 2 . ]" 3
6 1 7 PRO O 1 16 LEU N 2.900 2.700 3.100 3.051 2.839 3.150 0.050 24 0 "[ . 1 . 2 . ]" 3
7 1 34 HIS O 1 38 LEU H 1.950 . 2.100 2.122 1.918 2.171 0.071 19 0 "[ . 1 . 2 . ]" 3
8 1 34 HIS O 1 38 LEU N 2.900 2.700 3.100 3.039 2.849 3.129 0.029 22 0 "[ . 1 . 2 . ]" 3
9 1 37 CYS O 1 41 TRP H 1.950 . 2.100 1.952 1.847 2.076 . 0 0 "[ . 1 . 2 . ]" 3
10 1 37 CYS O 1 41 TRP N 2.900 2.700 3.100 2.747 2.680 2.871 0.020 1 0 "[ . 1 . 2 . ]" 3
11 1 38 LEU O 1 42 LEU H 1.950 . 2.100 1.978 1.873 2.076 . 0 0 "[ . 1 . 2 . ]" 3
12 1 38 LEU O 1 42 LEU N 2.900 2.700 3.100 2.913 2.828 3.005 . 0 0 "[ . 1 . 2 . ]" 3
stop_
save_
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