Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
585955 | 2mum RC | 25221 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mum
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 662
_Distance_constraint_stats_list.Viol_count 326
_Distance_constraint_stats_list.Viol_total 410.707
_Distance_constraint_stats_list.Viol_max 0.281
_Distance_constraint_stats_list.Viol_rms 0.0129
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0630
_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 THR 0.042 0.042 4 0 "[ . 1 . 2]"
1 2 LEU 0.514 0.159 1 0 "[ . 1 . 2]"
1 3 TYR 3.048 0.205 14 0 "[ . 1 . 2]"
1 4 CYS 0.402 0.080 15 0 "[ . 1 . 2]"
1 5 PHE 0.863 0.140 17 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLN 1.164 0.140 17 0 "[ . 1 . 2]"
1 8 ARG 0.528 0.106 19 0 "[ . 1 . 2]"
1 9 VAL 0.665 0.108 12 0 "[ . 1 . 2]"
1 10 SER 0.075 0.053 20 0 "[ . 1 . 2]"
1 11 PHE 0.167 0.157 13 0 "[ . 1 . 2]"
1 12 GLY 0.157 0.157 13 0 "[ . 1 . 2]"
1 13 GLU 0.413 0.123 6 0 "[ . 1 . 2]"
1 14 MET 1.415 0.152 12 0 "[ . 1 . 2]"
1 15 VAL 1.411 0.177 20 0 "[ . 1 . 2]"
1 16 ALA 0.214 0.118 17 0 "[ . 1 . 2]"
1 17 CYS 0.182 0.072 15 0 "[ . 1 . 2]"
1 18 ASP 0.226 0.104 20 0 "[ . 1 . 2]"
1 19 GLY 0.357 0.103 4 0 "[ . 1 . 2]"
1 20 PRO 0.062 0.041 16 0 "[ . 1 . 2]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 CYS 0.388 0.124 11 0 "[ . 1 . 2]"
1 23 LYS 0.662 0.160 10 0 "[ . 1 . 2]"
1 24 TYR 1.463 0.160 10 0 "[ . 1 . 2]"
1 25 GLU 0.320 0.074 1 0 "[ . 1 . 2]"
1 26 TRP 1.318 0.118 17 0 "[ . 1 . 2]"
1 27 PHE 0.970 0.177 20 0 "[ . 1 . 2]"
1 28 HIS 5.809 0.281 8 0 "[ . 1 . 2]"
1 29 TYR 2.754 0.152 12 0 "[ . 1 . 2]"
1 30 ASP 1.151 0.136 7 0 "[ . 1 . 2]"
1 31 CYS 3.791 0.281 8 0 "[ . 1 . 2]"
1 32 VAL 0.114 0.057 9 0 "[ . 1 . 2]"
1 33 ASN 0.640 0.136 7 0 "[ . 1 . 2]"
1 34 LEU 1.114 0.141 12 0 "[ . 1 . 2]"
1 35 LYS 0.369 0.192 12 0 "[ . 1 . 2]"
1 36 GLU 1.245 0.192 12 0 "[ . 1 . 2]"
1 37 PRO 0.155 0.117 1 0 "[ . 1 . 2]"
1 38 PRO 0.368 0.092 16 0 "[ . 1 . 2]"
1 39 LYS 0.545 0.201 16 0 "[ . 1 . 2]"
1 40 GLY 0.030 0.024 14 0 "[ . 1 . 2]"
1 41 THR 0.093 0.093 19 0 "[ . 1 . 2]"
1 42 TRP 0.733 0.086 8 0 "[ . 1 . 2]"
1 43 TYR 1.096 0.104 20 0 "[ . 1 . 2]"
1 44 CYS 0.080 0.029 16 0 "[ . 1 . 2]"
1 45 PRO 0.099 0.057 9 0 "[ . 1 . 2]"
1 46 GLU 0.998 0.209 9 0 "[ . 1 . 2]"
1 47 CYS 1.066 0.209 9 0 "[ . 1 . 2]"
1 48 LYS 0.393 0.095 19 0 "[ . 1 . 2]"
1 49 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLU 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 THR HA 1 1 THR MG 3.000 . 3.500 2.395 2.298 3.269 . 0 0 "[ . 1 . 2]" 1
2 1 1 THR HA 1 2 LEU H 3.000 . 3.500 2.319 2.150 3.205 . 0 0 "[ . 1 . 2]" 1
3 1 1 THR HA 1 2 LEU QB 4.000 . 5.000 4.193 3.746 4.977 . 0 0 "[ . 1 . 2]" 1
4 1 1 THR HA 1 3 TYR H 4.000 . 6.000 5.211 4.555 5.988 . 0 0 "[ . 1 . 2]" 1
5 1 1 THR HB 1 2 LEU H 4.000 . 5.000 3.640 2.129 4.425 . 0 0 "[ . 1 . 2]" 1
6 1 1 THR HB 1 3 TYR QE 4.000 . 5.000 3.039 2.016 5.042 0.042 4 0 "[ . 1 . 2]" 1
7 1 1 THR MG 1 2 LEU H 4.000 . 5.000 4.023 3.308 4.409 . 0 0 "[ . 1 . 2]" 1
8 1 1 THR MG 1 3 TYR QD 4.000 . 5.000 3.860 3.146 4.617 . 0 0 "[ . 1 . 2]" 1
9 1 1 THR MG 1 3 TYR QE 4.000 . 5.000 2.922 2.201 4.440 . 0 0 "[ . 1 . 2]" 1
10 1 2 LEU H 1 2 LEU HB2 3.000 . 3.500 2.819 2.387 3.298 . 0 0 "[ . 1 . 2]" 1
11 1 2 LEU H 1 2 LEU QB 3.000 . 3.500 2.411 2.242 2.812 . 0 0 "[ . 1 . 2]" 1
12 1 2 LEU H 1 2 LEU HB3 3.000 . 3.500 2.644 2.445 3.081 . 0 0 "[ . 1 . 2]" 1
13 1 2 LEU H 1 2 LEU QD 4.000 . 5.000 3.882 3.729 4.060 . 0 0 "[ . 1 . 2]" 1
14 1 2 LEU H 1 2 LEU HG 4.000 . 6.000 4.614 4.442 5.195 . 0 0 "[ . 1 . 2]" 1
15 1 2 LEU H 1 3 TYR H 4.000 . 5.000 3.993 3.728 4.423 . 0 0 "[ . 1 . 2]" 1
16 1 2 LEU HA 1 2 LEU MD1 4.000 . 5.000 2.648 2.081 3.889 . 0 0 "[ . 1 . 2]" 1
17 1 2 LEU HA 1 2 LEU QD 3.000 . 3.500 2.267 1.994 2.909 . 0 0 "[ . 1 . 2]" 1
18 1 2 LEU HA 1 2 LEU MD2 4.000 . 5.000 3.389 2.031 3.993 . 0 0 "[ . 1 . 2]" 1
19 1 2 LEU HA 1 3 TYR H 3.000 . 3.500 2.235 2.144 2.338 . 0 0 "[ . 1 . 2]" 1
20 1 2 LEU HA 1 3 TYR QD 4.000 . 5.000 4.798 4.313 5.159 0.159 1 0 "[ . 1 . 2]" 1
21 1 2 LEU HA 1 9 VAL HA 4.000 . 5.000 3.560 2.428 4.730 . 0 0 "[ . 1 . 2]" 1
22 1 2 LEU HA 1 9 VAL MG1 4.000 . 5.000 3.891 2.538 5.108 0.108 12 0 "[ . 1 . 2]" 1
23 1 2 LEU QB 1 3 TYR QD 4.000 . 6.000 5.059 4.854 5.286 . 0 0 "[ . 1 . 2]" 1
24 1 2 LEU QB 1 7 GLN HB3 4.000 . 6.000 5.630 4.979 6.061 0.061 6 0 "[ . 1 . 2]" 1
25 1 2 LEU QD 1 3 TYR H 4.000 . 5.000 3.165 2.270 3.697 . 0 0 "[ . 1 . 2]" 1
26 1 2 LEU QD 1 3 TYR QD 4.000 . 6.000 4.954 4.213 5.308 . 0 0 "[ . 1 . 2]" 1
27 1 2 LEU QD 1 7 GLN HA 4.000 . 5.000 3.098 2.348 4.098 . 0 0 "[ . 1 . 2]" 1
28 1 2 LEU QD 1 8 ARG H 4.000 . 5.000 2.824 2.263 3.399 . 0 0 "[ . 1 . 2]" 1
29 1 2 LEU QD 1 8 ARG HA 4.000 . 5.000 2.828 2.525 3.493 . 0 0 "[ . 1 . 2]" 1
30 1 2 LEU QD 1 9 VAL H 4.000 . 5.000 3.162 2.744 3.438 . 0 0 "[ . 1 . 2]" 1
31 1 2 LEU QD 1 9 VAL HA 4.000 . 5.000 2.867 1.921 3.740 . 0 0 "[ . 1 . 2]" 1
32 1 2 LEU QD 1 9 VAL MG1 3.000 . 3.500 2.227 2.067 2.641 . 0 0 "[ . 1 . 2]" 1
33 1 2 LEU MD1 1 7 GLN HA 4.000 . 6.000 3.640 2.570 5.269 . 0 0 "[ . 1 . 2]" 1
34 1 2 LEU MD2 1 7 GLN HA 4.000 . 6.000 4.120 2.357 5.359 . 0 0 "[ . 1 . 2]" 1
35 1 2 LEU HG 1 3 TYR H 4.000 . 6.000 4.359 3.453 5.752 . 0 0 "[ . 1 . 2]" 1
36 1 2 LEU HG 1 7 GLN HA 4.000 . 6.000 4.487 3.520 5.991 . 0 0 "[ . 1 . 2]" 1
37 1 2 LEU HG 1 8 ARG H 4.000 . 6.000 4.604 3.655 5.988 . 0 0 "[ . 1 . 2]" 1
38 1 3 TYR H 1 3 TYR HB2 4.000 . 5.000 2.829 2.740 2.943 . 0 0 "[ . 1 . 2]" 1
39 1 3 TYR H 1 3 TYR HB3 4.000 . 5.000 3.892 3.836 3.955 . 0 0 "[ . 1 . 2]" 1
40 1 3 TYR H 1 3 TYR QD 4.000 . 5.000 3.617 3.297 3.944 . 0 0 "[ . 1 . 2]" 1
41 1 3 TYR H 1 4 CYS H 4.000 . 5.000 4.177 4.086 4.279 . 0 0 "[ . 1 . 2]" 1
42 1 3 TYR H 1 4 CYS HB3 4.000 . 6.000 5.039 4.789 5.243 . 0 0 "[ . 1 . 2]" 1
43 1 3 TYR H 1 7 GLN HA 4.000 . 6.000 5.301 4.850 5.798 . 0 0 "[ . 1 . 2]" 1
44 1 3 TYR H 1 28 HIS HE1 4.000 . 5.000 5.028 4.684 5.205 0.205 14 0 "[ . 1 . 2]" 1
45 1 3 TYR HA 1 3 TYR QD 3.000 . 3.500 2.564 2.102 2.878 . 0 0 "[ . 1 . 2]" 1
46 1 3 TYR HA 1 4 CYS H 3.000 . 3.500 2.145 2.089 2.188 . 0 0 "[ . 1 . 2]" 1
47 1 3 TYR HA 1 4 CYS HA 4.000 . 5.000 4.420 4.368 4.504 . 0 0 "[ . 1 . 2]" 1
48 1 3 TYR HA 1 7 GLN HE21 4.000 . 5.000 4.871 4.312 5.055 0.055 18 0 "[ . 1 . 2]" 1
49 1 3 TYR HA 1 7 GLN HE22 4.000 . 5.000 3.448 2.808 3.725 . 0 0 "[ . 1 . 2]" 1
50 1 3 TYR HA 1 24 TYR QE 4.000 . 5.000 4.023 3.132 5.043 0.043 15 0 "[ . 1 . 2]" 1
51 1 3 TYR HB2 1 4 CYS H 4.000 . 5.000 4.193 3.973 4.308 . 0 0 "[ . 1 . 2]" 1
52 1 3 TYR HB2 1 4 CYS HB2 4.000 . 5.000 4.976 4.867 5.063 0.063 13 0 "[ . 1 . 2]" 1
53 1 3 TYR HB2 1 26 TRP HB2 4.000 . 5.000 2.006 1.766 2.473 0.034 14 0 "[ . 1 . 2]" 1
54 1 3 TYR HB2 1 26 TRP HD1 4.000 . 5.000 3.658 3.148 4.227 . 0 0 "[ . 1 . 2]" 1
55 1 3 TYR HB3 1 4 CYS H 4.000 . 5.000 3.317 2.975 3.459 . 0 0 "[ . 1 . 2]" 1
56 1 3 TYR HB3 1 24 TYR H 4.000 . 6.000 4.676 4.309 5.177 . 0 0 "[ . 1 . 2]" 1
57 1 3 TYR HB3 1 24 TYR QD 4.000 . 5.000 2.866 2.110 3.835 . 0 0 "[ . 1 . 2]" 1
58 1 3 TYR HB3 1 25 GLU H 4.000 . 6.000 4.048 3.483 4.651 . 0 0 "[ . 1 . 2]" 1
59 1 3 TYR HB3 1 26 TRP H 4.000 . 5.000 3.443 2.931 4.216 . 0 0 "[ . 1 . 2]" 1
60 1 3 TYR HB3 1 26 TRP HB2 4.000 . 5.000 3.607 3.312 4.189 . 0 0 "[ . 1 . 2]" 1
61 1 3 TYR QD 1 26 TRP H 4.000 . 5.000 3.391 1.936 3.932 . 0 0 "[ . 1 . 2]" 1
62 1 3 TYR QD 1 26 TRP HB2 4.000 . 5.000 2.349 1.990 2.761 . 0 0 "[ . 1 . 2]" 1
63 1 3 TYR QD 1 26 TRP HB3 4.000 . 5.000 3.803 3.308 4.004 . 0 0 "[ . 1 . 2]" 1
64 1 3 TYR QD 1 26 TRP HD1 4.000 . 5.000 2.143 1.799 3.015 0.001 15 0 "[ . 1 . 2]" 1
65 1 3 TYR QE 1 26 TRP HB2 4.000 . 5.000 4.592 4.023 5.033 0.033 17 0 "[ . 1 . 2]" 1
66 1 3 TYR QE 1 26 TRP HB3 4.000 . 6.000 5.847 5.028 6.113 0.113 17 0 "[ . 1 . 2]" 1
67 1 3 TYR QE 1 26 TRP HD1 4.000 . 5.000 3.078 2.385 3.691 . 0 0 "[ . 1 . 2]" 1
68 1 4 CYS H 1 7 GLN HE21 4.000 . 5.000 3.836 3.102 4.366 . 0 0 "[ . 1 . 2]" 1
69 1 4 CYS H 1 7 GLN HE22 4.000 . 5.000 3.065 2.527 3.411 . 0 0 "[ . 1 . 2]" 1
70 1 4 CYS H 1 7 GLN QG 4.000 . 5.000 4.347 3.844 4.982 . 0 0 "[ . 1 . 2]" 1
71 1 4 CYS H 1 24 TYR HB3 4.000 . 6.000 4.364 3.469 5.167 . 0 0 "[ . 1 . 2]" 1
72 1 4 CYS HA 1 5 PHE H 4.000 . 5.000 2.420 2.351 2.512 . 0 0 "[ . 1 . 2]" 1
73 1 4 CYS HA 1 24 TYR HB2 4.000 . 6.000 4.778 3.797 5.582 . 0 0 "[ . 1 . 2]" 1
74 1 4 CYS HA 1 24 TYR QD 4.000 . 5.000 3.092 2.423 3.949 . 0 0 "[ . 1 . 2]" 1
75 1 4 CYS HA 1 27 PHE HA 4.000 . 5.000 4.222 3.846 4.632 . 0 0 "[ . 1 . 2]" 1
76 1 4 CYS HA 1 27 PHE QD 4.000 . 5.000 3.497 2.929 4.240 . 0 0 "[ . 1 . 2]" 1
77 1 4 CYS HB2 1 5 PHE H 4.000 . 5.000 3.947 3.878 4.102 . 0 0 "[ . 1 . 2]" 1
78 1 4 CYS HB2 1 6 CYS H 4.000 . 5.000 4.518 4.352 4.782 . 0 0 "[ . 1 . 2]" 1
79 1 4 CYS HB2 1 8 ARG QB 4.000 . 6.000 4.611 3.962 5.143 . 0 0 "[ . 1 . 2]" 1
80 1 4 CYS HB2 1 27 PHE HA 4.000 . 5.000 3.255 2.867 3.570 . 0 0 "[ . 1 . 2]" 1
81 1 4 CYS HB2 1 28 HIS H 4.000 . 5.000 4.448 3.897 4.955 . 0 0 "[ . 1 . 2]" 1
82 1 4 CYS HB2 1 28 HIS HE1 4.000 . 5.000 2.446 2.078 2.821 . 0 0 "[ . 1 . 2]" 1
83 1 4 CYS HB3 1 5 PHE H 4.000 . 5.000 3.648 3.495 3.824 . 0 0 "[ . 1 . 2]" 1
84 1 4 CYS HB3 1 6 CYS H 4.000 . 5.000 3.336 3.082 3.675 . 0 0 "[ . 1 . 2]" 1
85 1 4 CYS HB3 1 7 GLN H 4.000 . 5.000 2.566 2.226 2.990 . 0 0 "[ . 1 . 2]" 1
86 1 4 CYS HB3 1 8 ARG H 4.000 . 6.000 2.482 2.033 2.767 . 0 0 "[ . 1 . 2]" 1
87 1 4 CYS HB3 1 28 HIS H 4.000 . 6.000 5.806 5.324 6.080 0.080 15 0 "[ . 1 . 2]" 1
88 1 4 CYS HB3 1 28 HIS HE1 4.000 . 5.000 2.811 2.593 3.020 . 0 0 "[ . 1 . 2]" 1
89 1 5 PHE H 1 5 PHE QD 4.000 . 5.000 4.238 4.202 4.278 . 0 0 "[ . 1 . 2]" 1
90 1 5 PHE H 1 6 CYS H 3.000 . 3.500 2.704 2.550 2.837 . 0 0 "[ . 1 . 2]" 1
91 1 5 PHE H 1 6 CYS HB3 4.000 . 6.000 5.056 4.922 5.223 . 0 0 "[ . 1 . 2]" 1
92 1 5 PHE H 1 24 TYR QD 4.000 . 5.000 4.111 3.383 4.551 . 0 0 "[ . 1 . 2]" 1
93 1 5 PHE H 1 27 PHE QD 4.000 . 5.000 3.986 3.443 4.663 . 0 0 "[ . 1 . 2]" 1
94 1 5 PHE H 1 27 PHE QE 4.000 . 5.000 2.336 1.756 3.523 0.044 16 0 "[ . 1 . 2]" 1
95 1 5 PHE HA 1 5 PHE QD 4.000 . 5.000 2.713 2.309 2.941 . 0 0 "[ . 1 . 2]" 1
96 1 5 PHE HA 1 7 GLN H 4.000 . 5.000 3.838 3.639 4.051 . 0 0 "[ . 1 . 2]" 1
97 1 5 PHE HA 1 7 GLN HE21 4.000 . 5.000 4.140 3.064 5.140 0.140 17 0 "[ . 1 . 2]" 1
98 1 5 PHE HA 1 7 GLN HE22 4.000 . 6.000 5.137 4.427 5.699 . 0 0 "[ . 1 . 2]" 1
99 1 5 PHE HA 1 7 GLN QG 4.000 . 5.000 4.104 3.510 4.433 . 0 0 "[ . 1 . 2]" 1
100 1 5 PHE HA 1 24 TYR QD 4.000 . 5.000 4.140 3.401 5.013 0.013 3 0 "[ . 1 . 2]" 1
101 1 5 PHE HA 1 24 TYR QE 4.000 . 5.000 3.388 2.686 4.037 . 0 0 "[ . 1 . 2]" 1
102 1 5 PHE QB 1 6 CYS H 4.000 . 5.000 2.720 2.528 2.914 . 0 0 "[ . 1 . 2]" 1
103 1 5 PHE QB 1 6 CYS HA 4.000 . 5.000 4.350 4.175 4.433 . 0 0 "[ . 1 . 2]" 1
104 1 5 PHE QB 1 24 TYR QE 4.000 . 5.000 4.518 3.588 5.121 0.121 8 0 "[ . 1 . 2]" 1
105 1 5 PHE QD 1 6 CYS HA 4.000 . 5.000 3.996 3.361 4.525 . 0 0 "[ . 1 . 2]" 1
106 1 5 PHE QD 1 24 TYR QE 4.000 . 5.000 3.877 2.258 5.000 0.000 8 0 "[ . 1 . 2]" 1
107 1 6 CYS H 1 6 CYS HB3 4.000 . 5.000 2.538 2.449 2.624 . 0 0 "[ . 1 . 2]" 1
108 1 6 CYS H 1 7 GLN H 3.000 . 3.500 2.528 2.414 2.631 . 0 0 "[ . 1 . 2]" 1
109 1 6 CYS H 1 7 GLN HA 4.000 . 5.000 4.654 4.506 4.815 . 0 0 "[ . 1 . 2]" 1
110 1 6 CYS H 1 7 GLN QG 4.000 . 5.000 4.766 4.458 4.963 . 0 0 "[ . 1 . 2]" 1
111 1 7 GLN H 1 7 GLN HE21 4.000 . 5.000 4.278 2.795 5.091 0.091 13 0 "[ . 1 . 2]" 1
112 1 7 GLN H 1 7 GLN HE22 4.000 . 6.000 4.959 4.357 5.450 . 0 0 "[ . 1 . 2]" 1
113 1 7 GLN H 1 7 GLN QG 4.000 . 5.000 2.790 2.550 2.920 . 0 0 "[ . 1 . 2]" 1
114 1 7 GLN H 1 8 ARG H 4.000 . 5.000 3.363 3.118 3.659 . 0 0 "[ . 1 . 2]" 1
115 1 7 GLN HA 1 7 GLN HE21 4.000 . 5.000 4.147 2.596 4.790 . 0 0 "[ . 1 . 2]" 1
116 1 7 GLN HA 1 7 GLN HE22 4.000 . 5.000 4.206 3.397 4.694 . 0 0 "[ . 1 . 2]" 1
117 1 7 GLN HA 1 8 ARG H 3.000 . 3.500 2.234 2.114 2.403 . 0 0 "[ . 1 . 2]" 1
118 1 7 GLN HB2 1 8 ARG H 4.000 . 5.000 4.538 4.470 4.575 . 0 0 "[ . 1 . 2]" 1
119 1 7 GLN HB3 1 8 ARG H 4.000 . 5.000 4.066 3.768 4.285 . 0 0 "[ . 1 . 2]" 1
120 1 7 GLN HB3 1 8 ARG HA 4.000 . 5.000 4.715 4.585 4.934 . 0 0 "[ . 1 . 2]" 1
121 1 7 GLN HE21 1 24 TYR QD 4.000 . 5.000 4.499 3.616 5.118 0.118 3 0 "[ . 1 . 2]" 1
122 1 7 GLN HE21 1 24 TYR QE 4.000 . 5.000 2.484 1.977 3.102 . 0 0 "[ . 1 . 2]" 1
123 1 7 GLN HE22 1 24 TYR QE 4.000 . 5.000 2.198 1.806 3.094 . 0 0 "[ . 1 . 2]" 1
124 1 7 GLN QG 1 8 ARG H 4.000 . 6.000 4.823 4.713 4.917 . 0 0 "[ . 1 . 2]" 1
125 1 7 GLN QG 1 24 TYR QE 4.000 . 5.000 4.047 3.517 4.598 . 0 0 "[ . 1 . 2]" 1
126 1 8 ARG H 1 8 ARG QG 4.000 . 5.000 4.269 3.471 4.518 . 0 0 "[ . 1 . 2]" 1
127 1 8 ARG H 1 28 HIS HE1 4.000 . 5.000 2.978 2.469 3.655 . 0 0 "[ . 1 . 2]" 1
128 1 8 ARG HA 1 8 ARG HG2 4.000 . 5.000 3.281 2.425 3.886 . 0 0 "[ . 1 . 2]" 1
129 1 8 ARG HA 1 8 ARG HG3 4.000 . 5.000 3.058 2.564 3.804 . 0 0 "[ . 1 . 2]" 1
130 1 8 ARG HA 1 9 VAL H 3.000 . 3.500 2.303 2.230 2.424 . 0 0 "[ . 1 . 2]" 1
131 1 8 ARG HA 1 9 VAL MG1 4.000 . 5.000 3.690 3.498 3.860 . 0 0 "[ . 1 . 2]" 1
132 1 8 ARG HA 1 28 HIS HE1 4.000 . 6.000 4.705 4.348 5.374 . 0 0 "[ . 1 . 2]" 1
133 1 8 ARG QB 1 9 VAL H 3.000 . 3.500 3.452 2.595 3.606 0.106 19 0 "[ . 1 . 2]" 1
134 1 8 ARG QB 1 28 HIS HE1 4.000 . 5.000 2.802 2.110 3.790 . 0 0 "[ . 1 . 2]" 1
135 1 8 ARG QD 1 9 VAL H 4.000 . 5.000 3.357 1.790 4.524 0.010 4 0 "[ . 1 . 2]" 1
136 1 8 ARG QG 1 9 VAL MG2 4.000 . 5.000 3.065 2.609 5.036 0.036 8 0 "[ . 1 . 2]" 1
137 1 8 ARG HG2 1 9 VAL H 4.000 . 5.000 3.226 2.296 4.783 . 0 0 "[ . 1 . 2]" 1
138 1 8 ARG HG3 1 9 VAL H 4.000 . 5.000 2.996 2.213 4.809 . 0 0 "[ . 1 . 2]" 1
139 1 9 VAL H 1 9 VAL HB 4.000 . 5.000 3.657 3.623 3.693 . 0 0 "[ . 1 . 2]" 1
140 1 9 VAL H 1 9 VAL MG1 3.000 . 3.500 2.294 2.128 2.458 . 0 0 "[ . 1 . 2]" 1
141 1 9 VAL H 1 9 VAL MG2 3.000 . 3.500 2.088 1.947 2.242 . 0 0 "[ . 1 . 2]" 1
142 1 9 VAL HA 1 9 VAL MG1 3.000 . 3.500 2.389 2.329 2.432 . 0 0 "[ . 1 . 2]" 1
143 1 9 VAL HA 1 10 SER H 3.000 . 3.500 2.347 2.200 2.600 . 0 0 "[ . 1 . 2]" 1
144 1 9 VAL HA 1 10 SER HA 4.000 . 6.000 4.454 4.372 4.563 . 0 0 "[ . 1 . 2]" 1
145 1 9 VAL HB 1 10 SER H 3.000 . 3.500 2.542 2.036 2.878 . 0 0 "[ . 1 . 2]" 1
146 1 9 VAL HB 1 10 SER QB 4.000 . 6.000 4.692 3.819 5.148 . 0 0 "[ . 1 . 2]" 1
147 1 9 VAL MG1 1 10 SER H 4.000 . 5.000 3.730 3.544 3.890 . 0 0 "[ . 1 . 2]" 1
148 1 9 VAL MG2 1 10 SER H 4.000 . 5.000 3.524 3.065 3.863 . 0 0 "[ . 1 . 2]" 1
149 1 9 VAL MG2 1 11 PHE QB 4.000 . 5.000 3.053 2.014 4.831 . 0 0 "[ . 1 . 2]" 1
150 1 9 VAL MG2 1 11 PHE QD 4.000 . 5.000 3.612 1.804 5.010 0.010 20 0 "[ . 1 . 2]" 1
151 1 10 SER H 1 10 SER QB 3.000 . 3.500 2.529 2.256 2.834 . 0 0 "[ . 1 . 2]" 1
152 1 10 SER H 1 11 PHE H 4.000 . 6.000 3.925 2.788 4.549 . 0 0 "[ . 1 . 2]" 1
153 1 10 SER HA 1 11 PHE H 3.000 . 3.500 2.331 2.152 2.659 . 0 0 "[ . 1 . 2]" 1
154 1 10 SER QB 1 11 PHE H 4.000 . 5.000 3.755 2.832 4.067 . 0 0 "[ . 1 . 2]" 1
155 1 10 SER QB 1 26 TRP HE3 4.000 . 6.000 4.311 3.232 5.324 . 0 0 "[ . 1 . 2]" 1
156 1 10 SER QB 1 26 TRP HZ3 4.000 . 6.000 5.257 3.112 6.053 0.053 20 0 "[ . 1 . 2]" 1
157 1 11 PHE H 1 11 PHE QD 4.000 . 5.000 3.836 1.823 4.339 . 0 0 "[ . 1 . 2]" 1
158 1 11 PHE H 1 12 GLY H 4.000 . 6.000 4.002 2.498 4.471 . 0 0 "[ . 1 . 2]" 1
159 1 11 PHE HA 1 11 PHE QD 4.000 . 5.000 2.929 2.321 3.788 . 0 0 "[ . 1 . 2]" 1
160 1 11 PHE HA 1 12 GLY H 3.000 . 3.500 2.329 2.092 3.378 . 0 0 "[ . 1 . 2]" 1
161 1 11 PHE QB 1 12 GLY H 4.000 . 5.000 3.809 3.213 4.088 . 0 0 "[ . 1 . 2]" 1
162 1 11 PHE QB 1 13 GLU H 4.000 . 5.000 4.312 2.715 4.778 . 0 0 "[ . 1 . 2]" 1
163 1 11 PHE QD 1 12 GLY H 4.000 . 5.000 4.281 3.527 4.857 . 0 0 "[ . 1 . 2]" 1
164 1 11 PHE QD 1 12 GLY QA 4.000 . 5.000 4.243 3.863 5.157 0.157 13 0 "[ . 1 . 2]" 1
165 1 12 GLY H 1 13 GLU H 4.000 . 5.000 2.811 2.100 3.078 . 0 0 "[ . 1 . 2]" 1
166 1 12 GLY QA 1 13 GLU H 3.000 . 3.500 2.902 2.838 2.948 . 0 0 "[ . 1 . 2]" 1
167 1 12 GLY HA2 1 13 GLU H 4.000 . 5.000 3.411 3.255 3.493 . 0 0 "[ . 1 . 2]" 1
168 1 12 GLY HA3 1 13 GLU H 4.000 . 5.000 3.148 3.012 3.323 . 0 0 "[ . 1 . 2]" 1
169 1 13 GLU H 1 13 GLU QB 3.000 . 3.500 2.798 2.431 3.278 . 0 0 "[ . 1 . 2]" 1
170 1 13 GLU H 1 13 GLU QG 4.000 . 5.000 2.852 1.900 3.500 . 0 0 "[ . 1 . 2]" 1
171 1 13 GLU HA 1 14 MET H 3.000 . 3.500 2.253 2.138 2.514 . 0 0 "[ . 1 . 2]" 1
172 1 13 GLU HA 1 14 MET QG 4.000 . 5.000 4.141 3.753 5.123 0.123 6 0 "[ . 1 . 2]" 1
173 1 13 GLU HA 1 29 TYR QD 4.000 . 5.000 3.298 2.324 4.658 . 0 0 "[ . 1 . 2]" 1
174 1 13 GLU QB 1 14 MET H 4.000 . 5.000 3.549 2.890 4.028 . 0 0 "[ . 1 . 2]" 1
175 1 13 GLU QB 1 29 TYR H 4.000 . 5.000 2.663 1.754 3.719 0.046 4 0 "[ . 1 . 2]" 1
176 1 13 GLU QB 1 29 TYR QB 4.000 . 5.000 2.536 1.911 3.526 . 0 0 "[ . 1 . 2]" 1
177 1 13 GLU QB 1 29 TYR QD 4.000 . 5.000 2.102 1.742 2.893 0.058 11 0 "[ . 1 . 2]" 1
178 1 13 GLU QB 1 29 TYR QE 4.000 . 5.000 3.773 3.063 4.280 . 0 0 "[ . 1 . 2]" 1
179 1 13 GLU HB2 1 14 MET H 4.000 . 5.000 4.127 3.065 4.535 . 0 0 "[ . 1 . 2]" 1
180 1 13 GLU HB3 1 14 MET H 4.000 . 5.000 4.042 2.989 4.705 . 0 0 "[ . 1 . 2]" 1
181 1 13 GLU HG2 1 14 MET H 4.000 . 6.000 4.988 4.370 5.296 . 0 0 "[ . 1 . 2]" 1
182 1 13 GLU HG3 1 14 MET H 4.000 . 6.000 5.225 4.260 5.963 . 0 0 "[ . 1 . 2]" 1
183 1 14 MET H 1 14 MET QB 3.000 . 3.500 2.930 2.421 3.374 . 0 0 "[ . 1 . 2]" 1
184 1 14 MET H 1 14 MET HG2 4.000 . 5.000 3.336 1.968 4.491 . 0 0 "[ . 1 . 2]" 1
185 1 14 MET H 1 14 MET HG3 4.000 . 5.000 3.202 2.508 4.829 . 0 0 "[ . 1 . 2]" 1
186 1 14 MET H 1 29 TYR QE 4.000 . 5.000 2.832 2.224 3.614 . 0 0 "[ . 1 . 2]" 1
187 1 14 MET HA 1 15 VAL MG1 4.000 . 5.000 3.724 3.459 4.007 . 0 0 "[ . 1 . 2]" 1
188 1 14 MET HA 1 28 HIS HA 4.000 . 5.000 2.808 1.990 3.374 . 0 0 "[ . 1 . 2]" 1
189 1 14 MET HA 1 29 TYR H 4.000 . 5.000 4.193 3.255 4.710 . 0 0 "[ . 1 . 2]" 1
190 1 14 MET HA 1 29 TYR QB 4.000 . 6.000 5.810 5.072 6.152 0.152 12 0 "[ . 1 . 2]" 1
191 1 14 MET HA 1 29 TYR QD 4.000 . 5.000 3.982 3.381 5.130 0.130 15 0 "[ . 1 . 2]" 1
192 1 14 MET QB 1 26 TRP HZ3 3.000 . 3.500 2.576 1.942 3.493 . 0 0 "[ . 1 . 2]" 1
193 1 14 MET HB2 1 26 TRP HZ3 4.000 . 5.000 2.971 2.431 3.620 . 0 0 "[ . 1 . 2]" 1
194 1 14 MET HB3 1 26 TRP HZ3 4.000 . 5.000 3.372 1.966 4.910 . 0 0 "[ . 1 . 2]" 1
195 1 14 MET QG 1 26 TRP HE3 4.000 . 6.000 3.784 2.357 5.720 . 0 0 "[ . 1 . 2]" 1
196 1 14 MET QG 1 26 TRP HH2 4.000 . 6.000 4.927 4.030 6.107 0.107 18 0 "[ . 1 . 2]" 1
197 1 14 MET QG 1 26 TRP HZ3 4.000 . 6.000 3.146 2.095 4.540 . 0 0 "[ . 1 . 2]" 1
198 1 15 VAL HA 1 15 VAL MG1 3.000 . 3.500 3.281 3.262 3.293 . 0 0 "[ . 1 . 2]" 1
199 1 15 VAL HA 1 16 ALA H 4.000 . 5.000 2.145 2.103 2.169 . 0 0 "[ . 1 . 2]" 1
200 1 15 VAL HA 1 16 ALA MB 4.000 . 5.000 3.987 3.898 4.066 . 0 0 "[ . 1 . 2]" 1
201 1 15 VAL HA 1 29 TYR QD 4.000 . 5.000 4.908 4.743 5.077 0.077 8 0 "[ . 1 . 2]" 1
202 1 15 VAL HA 1 29 TYR QE 3.000 . 3.500 3.447 3.066 3.590 0.090 5 0 "[ . 1 . 2]" 1
203 1 15 VAL HB 1 29 TYR HA 4.000 . 5.000 4.164 3.688 4.766 . 0 0 "[ . 1 . 2]" 1
204 1 15 VAL HB 1 29 TYR QD 4.000 . 5.000 3.543 2.934 3.860 . 0 0 "[ . 1 . 2]" 1
205 1 15 VAL HB 1 29 TYR QE 3.000 . 3.500 2.931 1.923 3.436 . 0 0 "[ . 1 . 2]" 1
206 1 15 VAL HB 1 34 LEU QD 4.000 . 5.000 3.310 2.649 4.153 . 0 0 "[ . 1 . 2]" 1
207 1 15 VAL MG1 1 27 PHE HB2 4.000 . 5.000 2.099 1.800 2.333 0.000 15 0 "[ . 1 . 2]" 1
208 1 15 VAL MG1 1 27 PHE HB3 4.000 . 5.000 2.766 2.467 2.952 . 0 0 "[ . 1 . 2]" 1
209 1 15 VAL MG1 1 28 HIS HA 4.000 . 5.000 3.001 2.673 4.005 . 0 0 "[ . 1 . 2]" 1
210 1 15 VAL MG1 1 29 TYR HA 4.000 . 5.000 2.931 2.474 3.305 . 0 0 "[ . 1 . 2]" 1
211 1 15 VAL MG1 1 29 TYR QD 4.000 . 5.000 3.422 2.321 3.919 . 0 0 "[ . 1 . 2]" 1
212 1 15 VAL MG1 1 29 TYR QE 4.000 . 5.000 3.795 3.090 4.261 . 0 0 "[ . 1 . 2]" 1
213 1 15 VAL MG1 1 32 VAL MG2 4.000 . 5.000 2.161 1.780 2.598 0.020 2 0 "[ . 1 . 2]" 1
214 1 15 VAL MG1 1 34 LEU QD 4.000 . 5.000 2.574 1.940 3.113 . 0 0 "[ . 1 . 2]" 1
215 1 15 VAL MG1 1 42 TRP HE3 4.000 . 5.000 4.039 3.548 4.533 . 0 0 "[ . 1 . 2]" 1
216 1 15 VAL MG1 1 42 TRP HZ3 4.000 . 5.000 3.345 2.649 4.380 . 0 0 "[ . 1 . 2]" 1
217 1 15 VAL MG2 1 16 ALA H 4.000 . 6.000 2.803 2.691 2.927 . 0 0 "[ . 1 . 2]" 1
218 1 15 VAL MG2 1 16 ALA MB 4.000 . 5.000 4.081 4.003 4.169 . 0 0 "[ . 1 . 2]" 1
219 1 15 VAL MG2 1 27 PHE H 4.000 . 5.000 4.707 4.417 4.969 . 0 0 "[ . 1 . 2]" 1
220 1 15 VAL MG2 1 27 PHE HB2 4.000 . 5.000 3.970 3.082 4.263 . 0 0 "[ . 1 . 2]" 1
221 1 15 VAL MG2 1 27 PHE HB3 4.000 . 5.000 4.936 4.307 5.177 0.177 20 0 "[ . 1 . 2]" 1
222 1 15 VAL MG2 1 29 TYR QE 4.000 . 5.000 3.675 3.310 4.270 . 0 0 "[ . 1 . 2]" 1
223 1 15 VAL MG2 1 32 VAL MG1 4.000 . 5.000 4.599 3.755 4.981 . 0 0 "[ . 1 . 2]" 1
224 1 15 VAL MG2 1 38 PRO HD2 4.000 . 6.000 3.087 2.361 3.912 . 0 0 "[ . 1 . 2]" 1
225 1 15 VAL MG2 1 38 PRO HG3 4.000 . 5.000 2.937 1.786 5.092 0.092 16 0 "[ . 1 . 2]" 1
226 1 15 VAL MG2 1 42 TRP QB 4.000 . 5.000 2.922 2.563 3.407 . 0 0 "[ . 1 . 2]" 1
227 1 15 VAL MG2 1 42 TRP HD1 4.000 . 5.000 4.325 3.791 4.899 . 0 0 "[ . 1 . 2]" 1
228 1 15 VAL MG2 1 42 TRP HE3 4.000 . 5.000 2.766 2.320 2.979 . 0 0 "[ . 1 . 2]" 1
229 1 15 VAL MG2 1 42 TRP HH2 4.000 . 5.000 4.410 3.836 4.897 . 0 0 "[ . 1 . 2]" 1
230 1 15 VAL MG2 1 42 TRP HZ3 4.000 . 5.000 3.589 3.200 4.004 . 0 0 "[ . 1 . 2]" 1
231 1 16 ALA H 1 16 ALA MB 3.000 . 3.500 2.322 2.281 2.367 . 0 0 "[ . 1 . 2]" 1
232 1 16 ALA HA 1 17 CYS H 3.000 . 3.500 2.238 2.137 2.488 . 0 0 "[ . 1 . 2]" 1
233 1 16 ALA HA 1 26 TRP HA 4.000 . 5.000 2.817 2.482 3.103 . 0 0 "[ . 1 . 2]" 1
234 1 16 ALA HA 1 27 PHE H 4.000 . 5.000 3.602 3.226 3.985 . 0 0 "[ . 1 . 2]" 1
235 1 16 ALA MB 1 17 CYS H 4.000 . 5.000 2.802 2.318 3.413 . 0 0 "[ . 1 . 2]" 1
236 1 16 ALA MB 1 26 TRP HA 4.000 . 5.000 3.998 3.704 4.249 . 0 0 "[ . 1 . 2]" 1
237 1 16 ALA MB 1 26 TRP HD1 4.000 . 6.000 5.675 4.953 6.043 0.043 17 0 "[ . 1 . 2]" 1
238 1 16 ALA MB 1 26 TRP HE1 4.000 . 6.000 5.083 4.515 5.681 . 0 0 "[ . 1 . 2]" 1
239 1 16 ALA MB 1 26 TRP HH2 4.000 . 5.000 3.803 2.920 4.890 . 0 0 "[ . 1 . 2]" 1
240 1 16 ALA MB 1 26 TRP HZ2 4.000 . 5.000 4.320 3.572 5.118 0.118 17 0 "[ . 1 . 2]" 1
241 1 16 ALA MB 1 26 TRP HZ3 4.000 . 5.000 3.555 2.488 4.983 . 0 0 "[ . 1 . 2]" 1
242 1 17 CYS H 1 17 CYS HB2 4.000 . 5.000 3.070 2.624 3.411 . 0 0 "[ . 1 . 2]" 1
243 1 17 CYS H 1 17 CYS QB 3.000 . 3.500 2.410 2.240 2.674 . 0 0 "[ . 1 . 2]" 1
244 1 17 CYS H 1 17 CYS HB3 4.000 . 5.000 2.526 2.350 2.795 . 0 0 "[ . 1 . 2]" 1
245 1 17 CYS H 1 18 ASP H 4.000 . 6.000 4.393 3.944 4.612 . 0 0 "[ . 1 . 2]" 1
246 1 17 CYS H 1 25 GLU HA 4.000 . 5.000 3.228 2.422 3.675 . 0 0 "[ . 1 . 2]" 1
247 1 17 CYS H 1 26 TRP H 4.000 . 6.000 4.781 4.491 5.285 . 0 0 "[ . 1 . 2]" 1
248 1 17 CYS H 1 26 TRP HA 4.000 . 5.000 3.946 3.649 4.450 . 0 0 "[ . 1 . 2]" 1
249 1 17 CYS H 1 27 PHE H 4.000 . 6.000 4.881 3.934 5.868 . 0 0 "[ . 1 . 2]" 1
250 1 17 CYS H 1 42 TRP HE3 4.000 . 5.000 3.933 3.362 4.583 . 0 0 "[ . 1 . 2]" 1
251 1 17 CYS H 1 42 TRP HZ3 4.000 . 5.000 4.404 3.627 5.072 0.072 15 0 "[ . 1 . 2]" 1
252 1 17 CYS HA 1 18 ASP H 3.000 . 3.500 2.222 2.128 2.323 . 0 0 "[ . 1 . 2]" 1
253 1 17 CYS HA 1 42 TRP QB 4.000 . 5.000 2.946 2.651 3.525 . 0 0 "[ . 1 . 2]" 1
254 1 17 CYS HA 1 42 TRP HE3 3.000 . 3.500 2.367 1.795 2.956 0.005 6 0 "[ . 1 . 2]" 1
255 1 17 CYS QB 1 19 GLY H 4.000 . 6.000 4.643 4.145 5.140 . 0 0 "[ . 1 . 2]" 1
256 1 17 CYS QB 1 42 TRP HE3 4.000 . 5.000 2.416 1.920 3.072 . 0 0 "[ . 1 . 2]" 1
257 1 17 CYS QB 1 42 TRP HZ3 4.000 . 5.000 2.442 2.053 2.914 . 0 0 "[ . 1 . 2]" 1
258 1 17 CYS QB 1 44 CYS H 4.000 . 5.000 3.162 2.578 3.738 . 0 0 "[ . 1 . 2]" 1
259 1 18 ASP H 1 18 ASP HB2 4.000 . 5.000 2.674 2.326 3.288 . 0 0 "[ . 1 . 2]" 1
260 1 18 ASP H 1 18 ASP QB 3.000 . 3.500 2.439 2.228 2.600 . 0 0 "[ . 1 . 2]" 1
261 1 18 ASP H 1 18 ASP HB3 4.000 . 5.000 3.223 2.422 3.784 . 0 0 "[ . 1 . 2]" 1
262 1 18 ASP H 1 19 GLY H 4.000 . 5.000 4.058 3.749 4.324 . 0 0 "[ . 1 . 2]" 1
263 1 18 ASP H 1 42 TRP H 4.000 . 5.000 3.740 2.866 4.710 . 0 0 "[ . 1 . 2]" 1
264 1 18 ASP H 1 42 TRP HE3 4.000 . 5.000 4.376 3.734 5.016 0.016 16 0 "[ . 1 . 2]" 1
265 1 18 ASP H 1 43 TYR HA 4.000 . 5.000 3.728 3.059 5.037 0.037 11 0 "[ . 1 . 2]" 1
266 1 18 ASP H 1 43 TYR QD 4.000 . 5.000 4.689 3.794 5.104 0.104 20 0 "[ . 1 . 2]" 1
267 1 18 ASP QB 1 19 GLY H 4.000 . 5.000 3.821 3.523 4.052 . 0 0 "[ . 1 . 2]" 1
268 1 18 ASP QB 1 42 TRP H 4.000 . 5.000 3.873 2.719 4.917 . 0 0 "[ . 1 . 2]" 1
269 1 18 ASP HB2 1 19 GLY H 4.000 . 5.000 4.505 4.431 4.563 . 0 0 "[ . 1 . 2]" 1
270 1 18 ASP HB3 1 19 GLY H 4.000 . 5.000 4.155 3.688 4.546 . 0 0 "[ . 1 . 2]" 1
271 1 19 GLY H 1 22 CYS HB2 4.000 . 5.000 4.144 3.358 4.622 . 0 0 "[ . 1 . 2]" 1
272 1 19 GLY H 1 22 CYS HB3 4.000 . 5.000 3.544 3.089 4.013 . 0 0 "[ . 1 . 2]" 1
273 1 19 GLY H 1 43 TYR QE 4.000 . 6.000 5.593 5.232 5.816 . 0 0 "[ . 1 . 2]" 1
274 1 19 GLY HA2 1 20 PRO HD2 4.000 . 5.000 2.455 1.974 2.896 . 0 0 "[ . 1 . 2]" 1
275 1 19 GLY HA2 1 20 PRO HD3 4.000 . 5.000 2.332 1.975 2.725 . 0 0 "[ . 1 . 2]" 1
276 1 19 GLY HA2 1 21 ASN H 4.000 . 5.000 4.201 3.600 4.665 . 0 0 "[ . 1 . 2]" 1
277 1 19 GLY HA2 1 43 TYR QD 4.000 . 5.000 3.968 3.494 4.646 . 0 0 "[ . 1 . 2]" 1
278 1 19 GLY HA2 1 43 TYR QE 4.000 . 5.000 3.513 2.975 3.890 . 0 0 "[ . 1 . 2]" 1
279 1 19 GLY HA3 1 20 PRO HD2 4.000 . 5.000 3.344 2.704 3.786 . 0 0 "[ . 1 . 2]" 1
280 1 19 GLY HA3 1 20 PRO HD3 4.000 . 5.000 3.779 3.451 4.226 . 0 0 "[ . 1 . 2]" 1
281 1 19 GLY HA3 1 21 ASN H 4.000 . 5.000 3.954 3.577 4.325 . 0 0 "[ . 1 . 2]" 1
282 1 19 GLY HA3 1 22 CYS H 4.000 . 6.000 5.116 4.596 5.785 . 0 0 "[ . 1 . 2]" 1
283 1 19 GLY HA3 1 22 CYS HB3 4.000 . 5.000 3.170 2.550 4.204 . 0 0 "[ . 1 . 2]" 1
284 1 19 GLY HA3 1 43 TYR QD 4.000 . 5.000 4.480 3.813 4.979 . 0 0 "[ . 1 . 2]" 1
285 1 19 GLY HA3 1 43 TYR QE 4.000 . 5.000 4.826 4.001 5.103 0.103 4 0 "[ . 1 . 2]" 1
286 1 19 GLY HA3 1 47 CYS HB3 4.000 . 6.000 3.920 3.077 4.544 . 0 0 "[ . 1 . 2]" 1
287 1 20 PRO HA 1 22 CYS H 4.000 . 6.000 5.333 4.564 6.041 0.041 16 0 "[ . 1 . 2]" 1
288 1 20 PRO QB 1 21 ASN H 4.000 . 5.000 2.698 2.214 3.367 . 0 0 "[ . 1 . 2]" 1
289 1 20 PRO QD 1 21 ASN H 4.000 . 5.000 2.770 2.371 3.099 . 0 0 "[ . 1 . 2]" 1
290 1 20 PRO QD 1 43 TYR QE 4.000 . 5.000 3.597 2.703 4.551 . 0 0 "[ . 1 . 2]" 1
291 1 20 PRO HD2 1 21 ASN H 4.000 . 5.000 2.824 2.393 3.198 . 0 0 "[ . 1 . 2]" 1
292 1 20 PRO HD3 1 21 ASN H 4.000 . 5.000 4.041 3.839 4.344 . 0 0 "[ . 1 . 2]" 1
293 1 20 PRO QG 1 21 ASN H 4.000 . 5.000 3.065 2.031 3.860 . 0 0 "[ . 1 . 2]" 1
294 1 21 ASN H 1 21 ASN HB2 4.000 . 5.000 3.032 2.423 3.759 . 0 0 "[ . 1 . 2]" 1
295 1 21 ASN H 1 21 ASN QB 3.000 . 3.500 2.597 2.390 3.052 . 0 0 "[ . 1 . 2]" 1
296 1 21 ASN H 1 21 ASN HB3 4.000 . 5.000 3.116 2.537 3.773 . 0 0 "[ . 1 . 2]" 1
297 1 21 ASN H 1 22 CYS H 4.000 . 5.000 4.013 3.611 4.436 . 0 0 "[ . 1 . 2]" 1
298 1 21 ASN HA 1 22 CYS H 3.000 . 3.500 2.214 2.151 2.387 . 0 0 "[ . 1 . 2]" 1
299 1 21 ASN HB2 1 22 CYS H 4.000 . 5.000 4.364 3.285 4.624 . 0 0 "[ . 1 . 2]" 1
300 1 21 ASN HB3 1 22 CYS H 4.000 . 5.000 4.291 3.834 4.642 . 0 0 "[ . 1 . 2]" 1
301 1 22 CYS H 1 22 CYS HB2 3.000 . 3.500 3.419 3.288 3.519 0.019 4 0 "[ . 1 . 2]" 1
302 1 22 CYS H 1 22 CYS HB3 3.000 . 3.500 3.138 2.927 3.265 . 0 0 "[ . 1 . 2]" 1
303 1 22 CYS H 1 23 LYS H 4.000 . 5.000 3.596 3.087 3.917 . 0 0 "[ . 1 . 2]" 1
304 1 22 CYS HA 1 23 LYS H 3.000 . 3.500 2.222 2.148 2.316 . 0 0 "[ . 1 . 2]" 1
305 1 22 CYS HA 1 24 TYR H 4.000 . 5.000 3.415 3.100 3.779 . 0 0 "[ . 1 . 2]" 1
306 1 22 CYS HB2 1 23 LYS H 4.000 . 5.000 4.559 4.370 4.654 . 0 0 "[ . 1 . 2]" 1
307 1 22 CYS HB2 1 25 GLU H 4.000 . 6.000 5.445 5.156 5.943 . 0 0 "[ . 1 . 2]" 1
308 1 22 CYS HB3 1 23 LYS H 4.000 . 5.000 4.421 4.380 4.478 . 0 0 "[ . 1 . 2]" 1
309 1 22 CYS HB3 1 24 TYR H 4.000 . 5.000 4.852 4.517 5.124 0.124 11 0 "[ . 1 . 2]" 1
310 1 22 CYS HB3 1 25 GLU H 4.000 . 5.000 4.329 3.922 4.820 . 0 0 "[ . 1 . 2]" 1
311 1 22 CYS HB3 1 25 GLU HA 4.000 . 5.000 4.136 3.346 4.627 . 0 0 "[ . 1 . 2]" 1
312 1 23 LYS H 1 23 LYS QB 3.000 . 3.500 2.497 2.239 2.812 . 0 0 "[ . 1 . 2]" 1
313 1 23 LYS H 1 23 LYS QD 4.000 . 5.000 3.910 1.680 4.858 0.120 19 0 "[ . 1 . 2]" 1
314 1 23 LYS H 1 23 LYS HG2 4.000 . 5.000 3.498 1.965 4.695 . 0 0 "[ . 1 . 2]" 1
315 1 23 LYS H 1 23 LYS QG 4.000 . 5.000 3.198 1.947 4.110 . 0 0 "[ . 1 . 2]" 1
316 1 23 LYS H 1 23 LYS HG3 4.000 . 5.000 3.976 3.081 4.628 . 0 0 "[ . 1 . 2]" 1
317 1 23 LYS H 1 24 TYR H 3.000 . 3.500 2.349 2.195 2.680 . 0 0 "[ . 1 . 2]" 1
318 1 23 LYS H 1 24 TYR QD 4.000 . 5.000 4.268 2.875 5.036 0.036 7 0 "[ . 1 . 2]" 1
319 1 23 LYS HA 1 23 LYS HG2 4.000 . 5.000 3.699 3.031 3.915 . 0 0 "[ . 1 . 2]" 1
320 1 23 LYS HA 1 23 LYS HG3 4.000 . 5.000 3.519 2.675 4.322 . 0 0 "[ . 1 . 2]" 1
321 1 23 LYS QB 1 23 LYS QE 4.000 . 5.000 2.835 1.919 3.914 . 0 0 "[ . 1 . 2]" 1
322 1 23 LYS QB 1 24 TYR H 4.000 . 5.000 3.131 2.521 3.677 . 0 0 "[ . 1 . 2]" 1
323 1 23 LYS QB 1 24 TYR QD 4.000 . 5.000 3.863 2.257 4.755 . 0 0 "[ . 1 . 2]" 1
324 1 23 LYS QB 1 24 TYR QE 4.000 . 5.000 4.314 3.012 5.160 0.160 10 0 "[ . 1 . 2]" 1
325 1 23 LYS QB 1 25 GLU H 4.000 . 5.000 4.706 4.454 4.886 . 0 0 "[ . 1 . 2]" 1
326 1 23 LYS QG 1 24 TYR QD 4.000 . 5.000 3.396 2.594 4.941 . 0 0 "[ . 1 . 2]" 1
327 1 23 LYS QG 1 24 TYR QE 4.000 . 5.000 3.739 3.140 4.886 . 0 0 "[ . 1 . 2]" 1
328 1 24 TYR H 1 24 TYR HB2 4.000 . 5.000 2.425 2.283 2.563 . 0 0 "[ . 1 . 2]" 1
329 1 24 TYR H 1 24 TYR HB3 4.000 . 5.000 3.623 3.556 3.698 . 0 0 "[ . 1 . 2]" 1
330 1 24 TYR H 1 24 TYR QD 4.000 . 5.000 3.043 2.206 3.463 . 0 0 "[ . 1 . 2]" 1
331 1 24 TYR H 1 24 TYR QE 4.000 . 6.000 4.784 4.441 5.165 . 0 0 "[ . 1 . 2]" 1
332 1 24 TYR H 1 25 GLU H 3.000 . 3.500 2.979 2.674 3.161 . 0 0 "[ . 1 . 2]" 1
333 1 24 TYR H 1 25 GLU HA 4.000 . 5.000 4.790 4.373 5.040 0.040 4 0 "[ . 1 . 2]" 1
334 1 24 TYR H 1 25 GLU QG 4.000 . 5.000 4.230 3.878 4.728 . 0 0 "[ . 1 . 2]" 1
335 1 24 TYR HA 1 24 TYR QD 3.000 . 3.500 2.445 1.960 3.129 . 0 0 "[ . 1 . 2]" 1
336 1 24 TYR HA 1 27 PHE QE 4.000 . 6.000 4.860 4.326 5.369 . 0 0 "[ . 1 . 2]" 1
337 1 24 TYR HB2 1 25 GLU H 4.000 . 5.000 4.150 4.078 4.243 . 0 0 "[ . 1 . 2]" 1
338 1 24 TYR HB3 1 27 PHE QE 4.000 . 5.000 2.947 2.090 3.731 . 0 0 "[ . 1 . 2]" 1
339 1 24 TYR QD 1 25 GLU H 4.000 . 5.000 4.889 4.566 5.074 0.074 1 0 "[ . 1 . 2]" 1
340 1 24 TYR QD 1 27 PHE QE 4.000 . 5.000 4.196 3.468 5.015 0.015 15 0 "[ . 1 . 2]" 1
341 1 25 GLU H 1 25 GLU HB3 4.000 . 5.000 3.299 2.506 3.641 . 0 0 "[ . 1 . 2]" 1
342 1 25 GLU H 1 25 GLU HG2 4.000 . 5.000 2.317 1.952 3.417 . 0 0 "[ . 1 . 2]" 1
343 1 25 GLU H 1 25 GLU QG 4.000 . 5.000 2.118 1.940 2.349 . 0 0 "[ . 1 . 2]" 1
344 1 25 GLU H 1 25 GLU HG3 4.000 . 5.000 3.200 2.021 3.621 . 0 0 "[ . 1 . 2]" 1
345 1 25 GLU H 1 27 PHE QE 4.000 . 6.000 5.351 4.685 5.828 . 0 0 "[ . 1 . 2]" 1
346 1 25 GLU HB2 1 26 TRP HD1 4.000 . 5.000 3.728 2.775 5.063 0.063 9 0 "[ . 1 . 2]" 1
347 1 25 GLU HB3 1 26 TRP H 4.000 . 5.000 3.750 3.458 4.148 . 0 0 "[ . 1 . 2]" 1
348 1 26 TRP H 1 26 TRP HB2 4.000 . 5.000 2.409 2.276 2.493 . 0 0 "[ . 1 . 2]" 1
349 1 26 TRP H 1 26 TRP HD1 4.000 . 5.000 2.874 2.404 3.298 . 0 0 "[ . 1 . 2]" 1
350 1 26 TRP HA 1 26 TRP HD1 4.000 . 5.000 4.219 3.857 4.429 . 0 0 "[ . 1 . 2]" 1
351 1 26 TRP HA 1 27 PHE H 3.000 . 3.500 2.110 2.067 2.153 . 0 0 "[ . 1 . 2]" 1
352 1 26 TRP HA 1 27 PHE QD 4.000 . 5.000 4.522 3.983 4.843 . 0 0 "[ . 1 . 2]" 1
353 1 26 TRP HB2 1 27 PHE H 4.000 . 5.000 4.283 4.104 4.521 . 0 0 "[ . 1 . 2]" 1
354 1 26 TRP HB3 1 27 PHE H 4.000 . 5.000 3.352 3.022 3.886 . 0 0 "[ . 1 . 2]" 1
355 1 26 TRP HZ3 1 27 PHE H 4.000 . 6.000 5.594 5.041 6.064 0.064 5 0 "[ . 1 . 2]" 1
356 1 27 PHE H 1 27 PHE HB2 4.000 . 5.000 2.730 2.535 2.836 . 0 0 "[ . 1 . 2]" 1
357 1 27 PHE H 1 27 PHE HB3 4.000 . 5.000 3.783 3.666 3.891 . 0 0 "[ . 1 . 2]" 1
358 1 27 PHE H 1 27 PHE QD 4.000 . 5.000 3.740 3.242 4.141 . 0 0 "[ . 1 . 2]" 1
359 1 27 PHE HA 1 27 PHE QD 4.000 . 6.000 2.701 2.461 3.092 . 0 0 "[ . 1 . 2]" 1
360 1 27 PHE HA 1 28 HIS H 3.000 . 3.500 2.448 2.157 2.534 . 0 0 "[ . 1 . 2]" 1
361 1 27 PHE HB2 1 28 HIS H 4.000 . 5.000 3.665 3.436 4.387 . 0 0 "[ . 1 . 2]" 1
362 1 27 PHE HB2 1 32 VAL MG1 4.000 . 5.000 3.413 2.778 4.101 . 0 0 "[ . 1 . 2]" 1
363 1 27 PHE HB2 1 32 VAL MG2 4.000 . 5.000 3.906 3.499 4.475 . 0 0 "[ . 1 . 2]" 1
364 1 27 PHE HB2 1 42 TRP HE3 4.000 . 6.000 4.758 4.381 5.095 . 0 0 "[ . 1 . 2]" 1
365 1 27 PHE HB2 1 42 TRP HZ3 4.000 . 5.000 2.888 2.179 3.742 . 0 0 "[ . 1 . 2]" 1
366 1 27 PHE HB3 1 28 HIS H 4.000 . 6.000 2.328 2.146 3.399 . 0 0 "[ . 1 . 2]" 1
367 1 27 PHE HB3 1 32 VAL MG1 4.000 . 5.000 2.665 2.339 3.288 . 0 0 "[ . 1 . 2]" 1
368 1 27 PHE HB3 1 32 VAL MG2 4.000 . 5.000 3.321 2.844 3.886 . 0 0 "[ . 1 . 2]" 1
369 1 27 PHE HB3 1 42 TRP HH2 4.000 . 5.000 3.618 2.976 4.449 . 0 0 "[ . 1 . 2]" 1
370 1 27 PHE QD 1 28 HIS H 4.000 . 5.000 3.147 2.704 3.580 . 0 0 "[ . 1 . 2]" 1
371 1 27 PHE QD 1 31 CYS HB3 4.000 . 5.000 3.669 2.293 4.249 . 0 0 "[ . 1 . 2]" 1
372 1 27 PHE QD 1 32 VAL MG1 4.000 . 5.000 3.054 2.472 3.609 . 0 0 "[ . 1 . 2]" 1
373 1 27 PHE QD 1 32 VAL MG2 4.000 . 5.000 4.443 3.782 4.932 . 0 0 "[ . 1 . 2]" 1
374 1 27 PHE QD 1 42 TRP HH2 4.000 . 5.000 3.070 2.128 4.136 . 0 0 "[ . 1 . 2]" 1
375 1 27 PHE QD 1 42 TRP HZ3 4.000 . 5.000 2.099 1.763 3.318 0.037 2 0 "[ . 1 . 2]" 1
376 1 27 PHE QE 1 44 CYS HB2 4.000 . 5.000 2.653 1.775 3.611 0.025 3 0 "[ . 1 . 2]" 1
377 1 27 PHE QE 1 45 PRO HD2 4.000 . 5.000 4.074 2.697 5.000 . 0 0 "[ . 1 . 2]" 1
378 1 28 HIS H 1 28 HIS HB2 4.000 . 5.000 3.591 3.525 3.659 . 0 0 "[ . 1 . 2]" 1
379 1 28 HIS H 1 28 HIS QB 3.000 . 3.500 3.188 2.964 3.267 . 0 0 "[ . 1 . 2]" 1
380 1 28 HIS H 1 28 HIS HB3 4.000 . 5.000 3.573 3.180 3.762 . 0 0 "[ . 1 . 2]" 1
381 1 28 HIS H 1 28 HIS HE1 4.000 . 5.000 4.267 3.769 4.522 . 0 0 "[ . 1 . 2]" 1
382 1 28 HIS H 1 31 CYS H 4.000 . 6.000 4.324 3.975 4.729 . 0 0 "[ . 1 . 2]" 1
383 1 28 HIS H 1 31 CYS HB2 4.000 . 5.000 3.475 2.978 4.381 . 0 0 "[ . 1 . 2]" 1
384 1 28 HIS H 1 31 CYS HB3 4.000 . 5.000 3.869 2.995 4.782 . 0 0 "[ . 1 . 2]" 1
385 1 28 HIS H 1 32 VAL MG1 4.000 . 6.000 3.883 3.455 5.093 . 0 0 "[ . 1 . 2]" 1
386 1 28 HIS HA 1 28 HIS HD2 4.000 . 6.000 4.828 4.762 4.932 . 0 0 "[ . 1 . 2]" 1
387 1 28 HIS HA 1 29 TYR H 3.000 . 3.500 2.226 2.138 2.316 . 0 0 "[ . 1 . 2]" 1
388 1 28 HIS HA 1 29 TYR QD 4.000 . 5.000 3.499 2.721 4.180 . 0 0 "[ . 1 . 2]" 1
389 1 28 HIS HA 1 30 ASP H 4.000 . 5.000 4.335 4.012 4.863 . 0 0 "[ . 1 . 2]" 1
390 1 28 HIS QB 1 29 TYR H 4.000 . 5.000 2.910 2.661 3.192 . 0 0 "[ . 1 . 2]" 1
391 1 28 HIS QB 1 30 ASP H 4.000 . 5.000 3.001 2.501 3.609 . 0 0 "[ . 1 . 2]" 1
392 1 28 HIS QB 1 30 ASP QB 4.000 . 5.000 3.554 2.282 4.389 . 0 0 "[ . 1 . 2]" 1
393 1 28 HIS QB 1 31 CYS H 4.000 . 5.000 3.412 3.201 3.554 . 0 0 "[ . 1 . 2]" 1
394 1 28 HIS QB 1 31 CYS HB3 4.000 . 6.000 5.055 3.750 5.682 . 0 0 "[ . 1 . 2]" 1
395 1 28 HIS HB2 1 29 TYR H 4.000 . 5.000 3.078 2.779 3.405 . 0 0 "[ . 1 . 2]" 1
396 1 28 HIS HB2 1 30 ASP H 4.000 . 5.000 3.045 2.524 3.690 . 0 0 "[ . 1 . 2]" 1
397 1 28 HIS HB2 1 31 CYS H 4.000 . 5.000 3.469 3.251 3.621 . 0 0 "[ . 1 . 2]" 1
398 1 28 HIS HB2 1 31 CYS HB2 4.000 . 5.000 3.949 3.604 4.271 . 0 0 "[ . 1 . 2]" 1
399 1 28 HIS HB3 1 29 TYR H 4.000 . 5.000 3.590 3.403 3.879 . 0 0 "[ . 1 . 2]" 1
400 1 28 HIS HB3 1 30 ASP H 4.000 . 5.000 4.571 4.055 5.102 0.102 4 0 "[ . 1 . 2]" 1
401 1 28 HIS HB3 1 31 CYS H 4.000 . 5.000 5.057 4.799 5.200 0.200 5 0 "[ . 1 . 2]" 1
402 1 28 HIS HB3 1 31 CYS HB2 4.000 . 5.000 5.107 5.005 5.281 0.281 8 0 "[ . 1 . 2]" 1
403 1 28 HIS HD2 1 31 CYS H 3.000 . 3.500 2.765 2.202 3.511 0.011 4 0 "[ . 1 . 2]" 1
404 1 29 TYR H 1 29 TYR HB2 4.000 . 5.000 2.375 2.289 2.496 . 0 0 "[ . 1 . 2]" 1
405 1 29 TYR H 1 29 TYR QB 3.000 . 3.500 2.342 2.263 2.454 . 0 0 "[ . 1 . 2]" 1
406 1 29 TYR H 1 29 TYR HB3 4.000 . 5.000 3.583 3.554 3.621 . 0 0 "[ . 1 . 2]" 1
407 1 29 TYR H 1 29 TYR QD 3.000 . 3.500 2.240 1.738 3.134 0.062 9 0 "[ . 1 . 2]" 1
408 1 29 TYR H 1 29 TYR QE 4.000 . 6.000 4.378 4.104 4.652 . 0 0 "[ . 1 . 2]" 1
409 1 29 TYR H 1 30 ASP H 4.000 . 5.000 2.793 2.538 3.129 . 0 0 "[ . 1 . 2]" 1
410 1 29 TYR H 1 30 ASP QB 4.000 . 5.000 4.638 4.232 5.009 0.009 2 0 "[ . 1 . 2]" 1
411 1 29 TYR H 1 32 VAL MG2 4.000 . 5.000 4.143 3.827 4.555 . 0 0 "[ . 1 . 2]" 1
412 1 29 TYR HA 1 29 TYR QD 3.000 . 3.500 3.012 1.966 3.194 . 0 0 "[ . 1 . 2]" 1
413 1 29 TYR HA 1 29 TYR QE 4.000 . 5.000 4.640 4.322 4.776 . 0 0 "[ . 1 . 2]" 1
414 1 29 TYR HA 1 31 CYS H 4.000 . 5.000 4.383 4.185 4.609 . 0 0 "[ . 1 . 2]" 1
415 1 29 TYR HA 1 32 VAL H 4.000 . 5.000 3.684 3.432 3.908 . 0 0 "[ . 1 . 2]" 1
416 1 29 TYR HA 1 32 VAL MG2 3.000 . 3.500 2.275 1.812 2.710 . 0 0 "[ . 1 . 2]" 1
417 1 29 TYR HA 1 34 LEU H 4.000 . 5.000 3.400 2.909 3.920 . 0 0 "[ . 1 . 2]" 1
418 1 29 TYR HA 1 34 LEU HB2 4.000 . 5.000 2.872 2.244 3.941 . 0 0 "[ . 1 . 2]" 1
419 1 29 TYR HA 1 34 LEU HB3 4.000 . 5.000 4.123 2.681 4.897 . 0 0 "[ . 1 . 2]" 1
420 1 29 TYR HA 1 34 LEU QD 4.000 . 5.000 3.523 2.861 4.089 . 0 0 "[ . 1 . 2]" 1
421 1 29 TYR QB 1 30 ASP H 3.000 . 3.500 2.734 2.431 2.880 . 0 0 "[ . 1 . 2]" 1
422 1 29 TYR QB 1 34 LEU H 4.000 . 5.000 3.709 3.030 4.131 . 0 0 "[ . 1 . 2]" 1
423 1 29 TYR HB2 1 30 ASP H 4.000 . 5.000 2.835 2.493 2.989 . 0 0 "[ . 1 . 2]" 1
424 1 29 TYR HB3 1 30 ASP H 4.000 . 5.000 3.590 3.202 3.814 . 0 0 "[ . 1 . 2]" 1
425 1 29 TYR QD 1 30 ASP H 4.000 . 5.000 4.400 4.125 4.556 . 0 0 "[ . 1 . 2]" 1
426 1 29 TYR QD 1 32 VAL MG2 4.000 . 5.000 3.939 3.396 4.298 . 0 0 "[ . 1 . 2]" 1
427 1 29 TYR QD 1 34 LEU HB2 4.000 . 5.000 2.550 1.868 3.840 . 0 0 "[ . 1 . 2]" 1
428 1 29 TYR QD 1 34 LEU QB 4.000 . 5.000 2.118 1.829 2.610 . 0 0 "[ . 1 . 2]" 1
429 1 29 TYR QD 1 34 LEU HB3 4.000 . 5.000 2.500 2.018 3.583 . 0 0 "[ . 1 . 2]" 1
430 1 29 TYR QD 1 34 LEU QD 4.000 . 5.000 3.219 2.320 3.661 . 0 0 "[ . 1 . 2]" 1
431 1 29 TYR QD 1 35 LYS HA 4.000 . 5.000 4.387 3.070 5.053 0.053 15 0 "[ . 1 . 2]" 1
432 1 29 TYR QD 1 36 GLU HA 4.000 . 6.000 4.858 4.059 5.607 . 0 0 "[ . 1 . 2]" 1
433 1 29 TYR QD 1 37 PRO HD3 4.000 . 6.000 5.095 3.779 5.842 . 0 0 "[ . 1 . 2]" 1
434 1 29 TYR QE 1 34 LEU HB2 4.000 . 5.000 4.145 3.348 5.137 0.137 18 0 "[ . 1 . 2]" 1
435 1 29 TYR QE 1 34 LEU HB3 4.000 . 5.000 3.549 3.109 4.545 . 0 0 "[ . 1 . 2]" 1
436 1 29 TYR QE 1 34 LEU MD1 4.000 . 6.000 3.643 3.128 4.476 . 0 0 "[ . 1 . 2]" 1
437 1 29 TYR QE 1 34 LEU QD 4.000 . 5.000 3.286 2.308 3.705 . 0 0 "[ . 1 . 2]" 1
438 1 29 TYR QE 1 34 LEU MD2 4.000 . 6.000 4.550 2.316 5.345 . 0 0 "[ . 1 . 2]" 1
439 1 29 TYR QE 1 36 GLU H 4.000 . 5.000 4.672 3.817 5.132 0.132 15 0 "[ . 1 . 2]" 1
440 1 29 TYR QE 1 36 GLU HA 4.000 . 5.000 4.445 3.658 5.005 0.005 13 0 "[ . 1 . 2]" 1
441 1 29 TYR QE 1 37 PRO HA 4.000 . 5.000 2.061 1.770 2.904 0.030 13 0 "[ . 1 . 2]" 1
442 1 29 TYR QE 1 37 PRO HD2 4.000 . 6.000 4.806 3.781 5.519 . 0 0 "[ . 1 . 2]" 1
443 1 29 TYR QE 1 37 PRO HD3 4.000 . 6.000 3.820 2.105 4.936 . 0 0 "[ . 1 . 2]" 1
444 1 29 TYR QE 1 37 PRO QG 4.000 . 5.000 4.092 2.618 4.984 . 0 0 "[ . 1 . 2]" 1
445 1 30 ASP H 1 30 ASP QB 3.000 . 3.500 2.325 2.119 2.640 . 0 0 "[ . 1 . 2]" 1
446 1 30 ASP H 1 31 CYS H 3.000 . 3.500 2.746 2.527 2.954 . 0 0 "[ . 1 . 2]" 1
447 1 30 ASP H 1 32 VAL H 4.000 . 5.000 4.320 4.116 4.690 . 0 0 "[ . 1 . 2]" 1
448 1 30 ASP HA 1 33 ASN H 4.000 . 5.000 3.684 3.258 3.994 . 0 0 "[ . 1 . 2]" 1
449 1 30 ASP HA 1 33 ASN HA 4.000 . 5.000 3.625 2.913 4.238 . 0 0 "[ . 1 . 2]" 1
450 1 30 ASP HA 1 34 LEU H 4.000 . 5.000 4.602 3.243 5.126 0.126 3 0 "[ . 1 . 2]" 1
451 1 30 ASP QB 1 31 CYS H 4.000 . 5.000 2.876 2.267 3.545 . 0 0 "[ . 1 . 2]" 1
452 1 30 ASP QB 1 33 ASN H 4.000 . 5.000 4.990 4.813 5.136 0.136 7 0 "[ . 1 . 2]" 1
453 1 31 CYS H 1 31 CYS HB2 3.000 . 3.500 2.169 2.085 2.430 . 0 0 "[ . 1 . 2]" 1
454 1 31 CYS H 1 31 CYS HB3 4.000 . 5.000 3.116 2.535 3.479 . 0 0 "[ . 1 . 2]" 1
455 1 31 CYS H 1 32 VAL H 3.000 . 3.500 2.630 2.513 2.741 . 0 0 "[ . 1 . 2]" 1
456 1 31 CYS H 1 32 VAL MG1 4.000 . 5.000 4.380 3.851 4.774 . 0 0 "[ . 1 . 2]" 1
457 1 31 CYS H 1 32 VAL MG2 4.000 . 5.000 3.789 3.631 3.973 . 0 0 "[ . 1 . 2]" 1
458 1 31 CYS H 1 33 ASN H 4.000 . 5.000 3.806 3.574 4.025 . 0 0 "[ . 1 . 2]" 1
459 1 31 CYS HB2 1 32 VAL H 4.000 . 5.000 3.318 2.947 3.918 . 0 0 "[ . 1 . 2]" 1
460 1 31 CYS HB3 1 32 VAL H 4.000 . 5.000 2.876 2.342 3.431 . 0 0 "[ . 1 . 2]" 1
461 1 31 CYS HB3 1 32 VAL MG1 4.000 . 5.000 2.760 2.351 3.165 . 0 0 "[ . 1 . 2]" 1
462 1 32 VAL H 1 32 VAL MG1 4.000 . 5.000 2.617 2.340 2.931 . 0 0 "[ . 1 . 2]" 1
463 1 32 VAL H 1 32 VAL MG2 3.000 . 3.500 1.996 1.892 2.169 . 0 0 "[ . 1 . 2]" 1
464 1 32 VAL H 1 33 ASN H 3.000 . 3.500 2.384 2.164 2.562 . 0 0 "[ . 1 . 2]" 1
465 1 32 VAL H 1 33 ASN HA 4.000 . 5.000 4.565 4.308 4.743 . 0 0 "[ . 1 . 2]" 1
466 1 32 VAL H 1 34 LEU H 4.000 . 5.000 3.850 3.408 4.531 . 0 0 "[ . 1 . 2]" 1
467 1 32 VAL HA 1 32 VAL MG1 3.000 . 3.500 2.363 2.326 2.428 . 0 0 "[ . 1 . 2]" 1
468 1 32 VAL HA 1 33 ASN H 4.000 . 5.000 3.258 3.102 3.349 . 0 0 "[ . 1 . 2]" 1
469 1 32 VAL HB 1 33 ASN H 4.000 . 6.000 4.348 4.195 4.430 . 0 0 "[ . 1 . 2]" 1
470 1 32 VAL HB 1 34 LEU QD 4.000 . 5.000 3.479 2.979 4.117 . 0 0 "[ . 1 . 2]" 1
471 1 32 VAL HB 1 42 TRP HE1 4.000 . 6.000 4.492 3.980 5.404 . 0 0 "[ . 1 . 2]" 1
472 1 32 VAL HB 1 42 TRP HZ2 4.000 . 5.000 2.614 2.082 2.904 . 0 0 "[ . 1 . 2]" 1
473 1 32 VAL MG1 1 33 ASN H 4.000 . 5.000 4.280 4.152 4.429 . 0 0 "[ . 1 . 2]" 1
474 1 32 VAL MG1 1 34 LEU QD 4.000 . 6.000 3.919 3.636 4.356 . 0 0 "[ . 1 . 2]" 1
475 1 32 VAL MG1 1 42 TRP HE3 4.000 . 6.000 5.476 4.969 5.881 . 0 0 "[ . 1 . 2]" 1
476 1 32 VAL MG1 1 42 TRP HH2 4.000 . 5.000 2.015 1.781 2.348 0.019 6 0 "[ . 1 . 2]" 1
477 1 32 VAL MG1 1 42 TRP HZ2 4.000 . 5.000 2.643 1.881 3.629 . 0 0 "[ . 1 . 2]" 1
478 1 32 VAL MG1 1 45 PRO HD2 4.000 . 5.000 3.976 2.982 4.822 . 0 0 "[ . 1 . 2]" 1
479 1 32 VAL MG1 1 45 PRO HD3 4.000 . 5.000 4.015 2.937 5.057 0.057 9 0 "[ . 1 . 2]" 1
480 1 32 VAL MG2 1 33 ASN H 4.000 . 5.000 3.127 2.874 3.431 . 0 0 "[ . 1 . 2]" 1
481 1 32 VAL MG2 1 33 ASN HA 4.000 . 5.000 4.453 4.104 4.800 . 0 0 "[ . 1 . 2]" 1
482 1 32 VAL MG2 1 34 LEU H 4.000 . 5.000 2.337 1.998 3.406 . 0 0 "[ . 1 . 2]" 1
483 1 32 VAL MG2 1 34 LEU HA 4.000 . 6.000 4.174 3.698 4.556 . 0 0 "[ . 1 . 2]" 1
484 1 32 VAL MG2 1 34 LEU MD1 4.000 . 5.000 2.436 2.020 3.810 . 0 0 "[ . 1 . 2]" 1
485 1 32 VAL MG2 1 34 LEU QD 3.000 . 3.500 2.294 2.012 2.926 . 0 0 "[ . 1 . 2]" 1
486 1 32 VAL MG2 1 34 LEU MD2 4.000 . 5.000 3.484 2.746 3.795 . 0 0 "[ . 1 . 2]" 1
487 1 32 VAL MG2 1 34 LEU HG 4.000 . 5.000 2.444 1.789 4.453 0.011 9 0 "[ . 1 . 2]" 1
488 1 32 VAL MG2 1 42 TRP HE1 4.000 . 5.000 4.341 3.911 4.852 . 0 0 "[ . 1 . 2]" 1
489 1 32 VAL MG2 1 42 TRP HH2 4.000 . 5.000 3.380 2.670 3.965 . 0 0 "[ . 1 . 2]" 1
490 1 32 VAL MG2 1 42 TRP HZ2 4.000 . 5.000 3.002 2.076 3.575 . 0 0 "[ . 1 . 2]" 1
491 1 33 ASN H 1 33 ASN HA 3.000 . 3.500 2.246 2.230 2.266 . 0 0 "[ . 1 . 2]" 1
492 1 33 ASN H 1 33 ASN HB2 4.000 . 5.000 3.424 3.032 3.646 . 0 0 "[ . 1 . 2]" 1
493 1 33 ASN H 1 33 ASN HB3 4.000 . 5.000 3.952 3.541 4.144 . 0 0 "[ . 1 . 2]" 1
494 1 33 ASN H 1 34 LEU H 3.000 . 3.500 2.758 2.608 3.106 . 0 0 "[ . 1 . 2]" 1
495 1 33 ASN HA 1 34 LEU H 3.000 . 3.500 2.946 2.346 3.184 . 0 0 "[ . 1 . 2]" 1
496 1 34 LEU H 1 34 LEU HB2 4.000 . 5.000 2.479 2.318 2.776 . 0 0 "[ . 1 . 2]" 1
497 1 34 LEU H 1 34 LEU HB3 4.000 . 5.000 3.500 2.528 3.846 . 0 0 "[ . 1 . 2]" 1
498 1 34 LEU H 1 34 LEU QD 4.000 . 5.000 3.402 3.187 3.830 . 0 0 "[ . 1 . 2]" 1
499 1 34 LEU H 1 34 LEU HG 4.000 . 5.000 3.033 2.493 4.599 . 0 0 "[ . 1 . 2]" 1
500 1 34 LEU H 1 36 GLU H 4.000 . 6.000 5.633 5.210 6.092 0.092 12 0 "[ . 1 . 2]" 1
501 1 34 LEU HA 1 34 LEU MD1 4.000 . 5.000 3.647 2.035 3.961 . 0 0 "[ . 1 . 2]" 1
502 1 34 LEU HA 1 34 LEU QD 3.000 . 3.500 2.061 2.006 2.143 . 0 0 "[ . 1 . 2]" 1
503 1 34 LEU HA 1 34 LEU MD2 4.000 . 5.000 2.348 2.012 3.952 . 0 0 "[ . 1 . 2]" 1
504 1 34 LEU HA 1 35 LYS H 4.000 . 5.000 2.181 2.115 2.263 . 0 0 "[ . 1 . 2]" 1
505 1 34 LEU HA 1 36 GLU H 4.000 . 5.000 3.497 2.984 3.896 . 0 0 "[ . 1 . 2]" 1
506 1 34 LEU QB 1 36 GLU H 4.000 . 5.000 3.283 2.526 4.630 . 0 0 "[ . 1 . 2]" 1
507 1 34 LEU QD 1 35 LYS H 4.000 . 5.000 3.532 3.082 3.763 . 0 0 "[ . 1 . 2]" 1
508 1 34 LEU QD 1 36 GLU H 4.000 . 5.000 3.701 3.144 4.012 . 0 0 "[ . 1 . 2]" 1
509 1 34 LEU QD 1 37 PRO HA 4.000 . 5.000 3.726 1.903 4.740 . 0 0 "[ . 1 . 2]" 1
510 1 34 LEU QD 1 38 PRO HD2 4.000 . 6.000 3.714 3.029 4.664 . 0 0 "[ . 1 . 2]" 1
511 1 34 LEU QD 1 38 PRO HD3 4.000 . 5.000 2.451 1.847 3.414 . 0 0 "[ . 1 . 2]" 1
512 1 34 LEU QD 1 42 TRP HD1 4.000 . 5.000 3.255 2.736 3.631 . 0 0 "[ . 1 . 2]" 1
513 1 34 LEU QD 1 42 TRP HE1 3.000 . 3.500 2.323 1.823 2.833 . 0 0 "[ . 1 . 2]" 1
514 1 34 LEU QD 1 42 TRP HH2 4.000 . 5.000 4.489 4.026 4.947 . 0 0 "[ . 1 . 2]" 1
515 1 34 LEU MD1 1 36 GLU H 4.000 . 6.000 4.668 3.275 5.190 . 0 0 "[ . 1 . 2]" 1
516 1 34 LEU MD1 1 38 PRO HD3 4.000 . 5.000 2.697 1.867 4.619 . 0 0 "[ . 1 . 2]" 1
517 1 34 LEU MD1 1 38 PRO HG3 4.000 . 5.000 2.750 2.002 4.297 . 0 0 "[ . 1 . 2]" 1
518 1 34 LEU MD1 1 42 TRP HD1 4.000 . 5.000 3.495 3.147 3.855 . 0 0 "[ . 1 . 2]" 1
519 1 34 LEU MD1 1 42 TRP HE1 4.000 . 5.000 2.547 1.831 2.950 . 0 0 "[ . 1 . 2]" 1
520 1 34 LEU MD2 1 36 GLU H 4.000 . 6.000 4.038 3.206 4.682 . 0 0 "[ . 1 . 2]" 1
521 1 34 LEU MD2 1 38 PRO HD3 4.000 . 5.000 3.872 2.169 5.063 0.063 15 0 "[ . 1 . 2]" 1
522 1 34 LEU MD2 1 38 PRO HG3 4.000 . 5.000 3.771 1.799 5.033 0.033 2 0 "[ . 1 . 2]" 1
523 1 34 LEU MD2 1 42 TRP HD1 4.000 . 5.000 4.067 2.903 5.023 0.023 3 0 "[ . 1 . 2]" 1
524 1 34 LEU MD2 1 42 TRP HE1 4.000 . 5.000 3.038 1.947 4.038 . 0 0 "[ . 1 . 2]" 1
525 1 34 LEU HG 1 36 GLU H 4.000 . 6.000 5.386 2.787 6.141 0.141 12 0 "[ . 1 . 2]" 1
526 1 35 LYS H 1 35 LYS QD 4.000 . 5.000 3.995 2.077 4.782 . 0 0 "[ . 1 . 2]" 1
527 1 35 LYS H 1 36 GLU H 3.000 . 3.500 2.315 1.608 2.646 0.192 12 0 "[ . 1 . 2]" 1
528 1 35 LYS HA 1 35 LYS QD 4.000 . 5.000 3.329 2.067 4.204 . 0 0 "[ . 1 . 2]" 1
529 1 35 LYS QB 1 35 LYS QD 3.000 . 3.500 2.367 2.146 2.871 . 0 0 "[ . 1 . 2]" 1
530 1 35 LYS QB 1 36 GLU H 4.000 . 5.000 3.028 2.498 3.743 . 0 0 "[ . 1 . 2]" 1
531 1 35 LYS QB 1 36 GLU QG 4.000 . 5.000 3.359 2.447 4.480 . 0 0 "[ . 1 . 2]" 1
532 1 35 LYS HB2 1 36 GLU H 4.000 . 5.000 3.588 2.572 4.178 . 0 0 "[ . 1 . 2]" 1
533 1 35 LYS HB3 1 36 GLU H 4.000 . 5.000 3.633 2.533 4.507 . 0 0 "[ . 1 . 2]" 1
534 1 36 GLU H 1 36 GLU HG2 4.000 . 5.000 3.284 2.154 4.534 . 0 0 "[ . 1 . 2]" 1
535 1 36 GLU H 1 36 GLU HG3 4.000 . 5.000 3.409 2.416 4.410 . 0 0 "[ . 1 . 2]" 1
536 1 36 GLU HA 1 37 PRO HD2 3.000 . 3.500 2.519 1.999 3.009 . 0 0 "[ . 1 . 2]" 1
537 1 36 GLU HA 1 37 PRO HD3 3.000 . 3.500 2.419 1.911 2.921 . 0 0 "[ . 1 . 2]" 1
538 1 36 GLU QB 1 37 PRO HD2 3.000 . 3.500 2.575 1.944 3.617 0.117 1 0 "[ . 1 . 2]" 1
539 1 37 PRO HA 1 38 PRO HD2 3.000 . 3.500 2.562 2.086 2.919 . 0 0 "[ . 1 . 2]" 1
540 1 37 PRO HA 1 38 PRO HD3 3.000 . 3.500 2.208 1.858 2.598 . 0 0 "[ . 1 . 2]" 1
541 1 37 PRO QB 1 38 PRO HD2 4.000 . 5.000 3.132 2.728 3.689 . 0 0 "[ . 1 . 2]" 1
542 1 37 PRO QB 1 38 PRO HD3 4.000 . 5.000 3.763 3.322 4.375 . 0 0 "[ . 1 . 2]" 1
543 1 38 PRO HA 1 39 LYS H 3.000 . 3.500 2.269 2.104 2.584 . 0 0 "[ . 1 . 2]" 1
544 1 38 PRO QB 1 39 LYS H 4.000 . 5.000 3.020 2.227 3.580 . 0 0 "[ . 1 . 2]" 1
545 1 38 PRO HB2 1 42 TRP HD1 4.000 . 5.000 3.964 2.873 5.002 0.002 14 0 "[ . 1 . 2]" 1
546 1 38 PRO HB3 1 42 TRP HD1 4.000 . 5.000 2.937 2.221 3.942 . 0 0 "[ . 1 . 2]" 1
547 1 38 PRO HG2 1 42 TRP HD1 4.000 . 5.000 3.937 2.113 4.990 . 0 0 "[ . 1 . 2]" 1
548 1 38 PRO HG3 1 42 TRP QB 4.000 . 5.000 3.095 2.129 4.059 . 0 0 "[ . 1 . 2]" 1
549 1 38 PRO HG3 1 42 TRP HD1 4.000 . 5.000 3.280 2.052 3.840 . 0 0 "[ . 1 . 2]" 1
550 1 38 PRO HG3 1 42 TRP HE1 4.000 . 5.000 4.448 3.734 5.061 0.061 2 0 "[ . 1 . 2]" 1
551 1 39 LYS H 1 39 LYS QG 4.000 . 5.000 2.759 1.892 4.078 . 0 0 "[ . 1 . 2]" 1
552 1 39 LYS H 1 40 GLY H 4.000 . 5.000 2.831 2.254 4.496 . 0 0 "[ . 1 . 2]" 1
553 1 39 LYS HA 1 39 LYS QD 4.000 . 5.000 3.746 2.075 4.620 . 0 0 "[ . 1 . 2]" 1
554 1 39 LYS HA 1 40 GLY H 3.000 . 3.500 3.177 2.160 3.524 0.024 14 0 "[ . 1 . 2]" 1
555 1 39 LYS HA 1 40 GLY QA 4.000 . 5.000 4.198 3.933 4.369 . 0 0 "[ . 1 . 2]" 1
556 1 39 LYS QB 1 39 LYS QD 2.000 . 2.700 2.382 2.162 2.901 0.201 16 0 "[ . 1 . 2]" 1
557 1 39 LYS QB 1 40 GLY H 4.000 . 5.000 3.444 2.663 4.033 . 0 0 "[ . 1 . 2]" 1
558 1 39 LYS HB2 1 40 GLY H 4.000 . 5.000 3.858 2.795 4.602 . 0 0 "[ . 1 . 2]" 1
559 1 39 LYS HB3 1 40 GLY H 4.000 . 5.000 4.086 2.712 4.516 . 0 0 "[ . 1 . 2]" 1
560 1 40 GLY QA 1 41 THR H 3.000 . 3.500 2.208 2.119 2.311 . 0 0 "[ . 1 . 2]" 1
561 1 40 GLY QA 1 41 THR HA 4.000 . 5.000 3.992 3.942 4.055 . 0 0 "[ . 1 . 2]" 1
562 1 41 THR H 1 41 THR HB 4.000 . 5.000 3.353 2.529 3.632 . 0 0 "[ . 1 . 2]" 1
563 1 41 THR H 1 41 THR MG 4.000 . 5.000 2.743 2.285 3.794 . 0 0 "[ . 1 . 2]" 1
564 1 41 THR HA 1 41 THR MG 3.000 . 3.500 2.373 2.324 2.464 . 0 0 "[ . 1 . 2]" 1
565 1 41 THR HA 1 42 TRP H 3.000 . 3.500 2.167 2.120 2.236 . 0 0 "[ . 1 . 2]" 1
566 1 41 THR HB 1 42 TRP H 4.000 . 5.000 3.852 3.383 4.406 . 0 0 "[ . 1 . 2]" 1
567 1 41 THR HB 1 43 TYR QD 4.000 . 5.000 4.256 3.583 5.093 0.093 19 0 "[ . 1 . 2]" 1
568 1 41 THR HB 1 43 TYR QE 4.000 . 5.000 3.041 2.186 4.334 . 0 0 "[ . 1 . 2]" 1
569 1 41 THR MG 1 42 TRP H 4.000 . 5.000 3.818 2.808 4.231 . 0 0 "[ . 1 . 2]" 1
570 1 41 THR MG 1 42 TRP HA 4.000 . 6.000 5.377 3.974 5.808 . 0 0 "[ . 1 . 2]" 1
571 1 42 TRP H 1 42 TRP HB2 4.000 . 5.000 2.708 2.516 3.076 . 0 0 "[ . 1 . 2]" 1
572 1 42 TRP H 1 42 TRP QB 3.000 . 3.500 2.322 2.257 2.543 . 0 0 "[ . 1 . 2]" 1
573 1 42 TRP H 1 42 TRP HB3 4.000 . 5.000 2.534 2.386 2.711 . 0 0 "[ . 1 . 2]" 1
574 1 42 TRP H 1 43 TYR H 4.000 . 5.000 4.442 4.012 4.611 . 0 0 "[ . 1 . 2]" 1
575 1 42 TRP HA 1 42 TRP HD1 4.000 . 5.000 2.891 2.656 3.076 . 0 0 "[ . 1 . 2]" 1
576 1 42 TRP HA 1 43 TYR H 3.000 . 3.500 2.182 2.083 2.268 . 0 0 "[ . 1 . 2]" 1
577 1 42 TRP HA 1 43 TYR QD 4.000 . 5.000 3.717 3.299 4.655 . 0 0 "[ . 1 . 2]" 1
578 1 42 TRP QB 1 42 TRP HD1 3.000 . 3.500 2.766 2.672 2.898 . 0 0 "[ . 1 . 2]" 1
579 1 42 TRP QB 1 42 TRP HE3 3.000 . 3.500 2.440 2.354 2.504 . 0 0 "[ . 1 . 2]" 1
580 1 42 TRP QB 1 43 TYR H 4.000 . 5.000 3.786 3.527 3.973 . 0 0 "[ . 1 . 2]" 1
581 1 42 TRP HB2 1 42 TRP HE3 4.000 . 5.000 3.986 3.868 4.072 . 0 0 "[ . 1 . 2]" 1
582 1 42 TRP HB2 1 43 TYR H 4.000 . 5.000 4.299 4.016 4.508 . 0 0 "[ . 1 . 2]" 1
583 1 42 TRP HB3 1 42 TRP HE3 4.000 . 5.000 2.462 2.375 2.527 . 0 0 "[ . 1 . 2]" 1
584 1 42 TRP HB3 1 43 TYR H 4.000 . 5.000 4.207 3.853 4.439 . 0 0 "[ . 1 . 2]" 1
585 1 42 TRP HD1 1 43 TYR H 4.000 . 5.000 3.837 2.931 4.602 . 0 0 "[ . 1 . 2]" 1
586 1 42 TRP HE3 1 43 TYR HA 4.000 . 5.000 4.660 3.842 5.086 0.086 8 0 "[ . 1 . 2]" 1
587 1 42 TRP HE3 1 44 CYS H 4.000 . 5.000 4.229 3.772 4.861 . 0 0 "[ . 1 . 2]" 1
588 1 42 TRP HE3 1 44 CYS HB3 4.000 . 5.000 4.050 3.693 4.833 . 0 0 "[ . 1 . 2]" 1
589 1 42 TRP HH2 1 44 CYS HA 4.000 . 5.000 3.527 2.956 4.199 . 0 0 "[ . 1 . 2]" 1
590 1 42 TRP HH2 1 44 CYS HB3 4.000 . 5.000 3.421 2.696 3.964 . 0 0 "[ . 1 . 2]" 1
591 1 42 TRP HH2 1 45 PRO HD3 4.000 . 5.000 4.271 3.235 5.042 0.042 6 0 "[ . 1 . 2]" 1
592 1 42 TRP HZ3 1 44 CYS H 4.000 . 5.000 4.377 3.783 4.951 . 0 0 "[ . 1 . 2]" 1
593 1 42 TRP HZ3 1 44 CYS HB2 4.000 . 5.000 3.947 3.301 5.027 0.027 5 0 "[ . 1 . 2]" 1
594 1 43 TYR H 1 43 TYR HB2 4.000 . 5.000 2.528 2.398 2.740 . 0 0 "[ . 1 . 2]" 1
595 1 43 TYR H 1 44 CYS H 4.000 . 5.000 4.271 4.080 4.432 . 0 0 "[ . 1 . 2]" 1
596 1 43 TYR HA 1 43 TYR QD 4.000 . 5.000 2.950 2.145 3.228 . 0 0 "[ . 1 . 2]" 1
597 1 43 TYR HA 1 44 CYS H 3.000 . 3.500 2.160 2.095 2.274 . 0 0 "[ . 1 . 2]" 1
598 1 43 TYR HB2 1 44 CYS H 4.000 . 5.000 4.382 3.841 4.518 . 0 0 "[ . 1 . 2]" 1
599 1 43 TYR HB2 1 48 LYS H 4.000 . 5.000 4.551 4.050 5.062 0.062 1 0 "[ . 1 . 2]" 1
600 1 43 TYR HB2 1 48 LYS HA 4.000 . 5.000 3.884 3.051 4.817 . 0 0 "[ . 1 . 2]" 1
601 1 43 TYR HB2 1 48 LYS QB 4.000 . 5.000 2.969 2.092 4.918 . 0 0 "[ . 1 . 2]" 1
602 1 43 TYR HB3 1 47 CYS H 4.000 . 6.000 4.498 4.130 4.882 . 0 0 "[ . 1 . 2]" 1
603 1 43 TYR HB3 1 47 CYS HB3 4.000 . 5.000 2.975 2.595 3.861 . 0 0 "[ . 1 . 2]" 1
604 1 43 TYR HB3 1 48 LYS H 4.000 . 5.000 3.365 2.904 3.947 . 0 0 "[ . 1 . 2]" 1
605 1 43 TYR HB3 1 48 LYS HA 4.000 . 5.000 3.309 2.618 4.206 . 0 0 "[ . 1 . 2]" 1
606 1 43 TYR HB3 1 48 LYS QB 4.000 . 5.000 2.900 1.905 4.676 . 0 0 "[ . 1 . 2]" 1
607 1 43 TYR QD 1 44 CYS H 4.000 . 6.000 4.434 3.806 4.760 . 0 0 "[ . 1 . 2]" 1
608 1 43 TYR QD 1 47 CYS HB2 4.000 . 5.000 3.035 2.368 3.804 . 0 0 "[ . 1 . 2]" 1
609 1 43 TYR QD 1 47 CYS HB3 4.000 . 5.000 2.178 1.766 3.002 0.034 13 0 "[ . 1 . 2]" 1
610 1 43 TYR QD 1 48 LYS HA 4.000 . 6.000 4.205 3.346 4.968 . 0 0 "[ . 1 . 2]" 1
611 1 44 CYS H 1 44 CYS HB2 4.000 . 5.000 3.603 3.557 3.779 . 0 0 "[ . 1 . 2]" 1
612 1 44 CYS H 1 44 CYS HB3 4.000 . 5.000 2.470 2.354 2.889 . 0 0 "[ . 1 . 2]" 1
613 1 44 CYS H 1 47 CYS H 4.000 . 5.000 4.217 3.807 4.672 . 0 0 "[ . 1 . 2]" 1
614 1 44 CYS H 1 47 CYS HB2 4.000 . 5.000 2.984 2.448 3.419 . 0 0 "[ . 1 . 2]" 1
615 1 44 CYS H 1 47 CYS HB3 4.000 . 5.000 4.398 3.892 5.029 0.029 16 0 "[ . 1 . 2]" 1
616 1 44 CYS HB2 1 45 PRO HD2 4.000 . 5.000 2.097 1.920 2.407 . 0 0 "[ . 1 . 2]" 1
617 1 44 CYS HB2 1 45 PRO HD3 4.000 . 5.000 3.317 3.089 3.632 . 0 0 "[ . 1 . 2]" 1
618 1 44 CYS HB2 1 46 GLU H 4.000 . 5.000 3.969 3.274 4.883 . 0 0 "[ . 1 . 2]" 1
619 1 44 CYS HB3 1 45 PRO HD2 4.000 . 5.000 3.699 3.529 3.990 . 0 0 "[ . 1 . 2]" 1
620 1 44 CYS HB3 1 45 PRO HD3 4.000 . 5.000 4.468 4.180 4.832 . 0 0 "[ . 1 . 2]" 1
621 1 44 CYS HB3 1 47 CYS H 4.000 . 6.000 5.093 4.640 5.698 . 0 0 "[ . 1 . 2]" 1
622 1 45 PRO HA 1 48 LYS H 4.000 . 5.000 3.814 3.268 4.335 . 0 0 "[ . 1 . 2]" 1
623 1 45 PRO HA 1 48 LYS QB 4.000 . 5.000 3.406 2.183 4.739 . 0 0 "[ . 1 . 2]" 1
624 1 45 PRO HA 1 48 LYS QD 4.000 . 5.000 3.513 2.022 4.858 . 0 0 "[ . 1 . 2]" 1
625 1 45 PRO HA 1 49 ILE H 4.000 . 6.000 4.135 2.736 5.575 . 0 0 "[ . 1 . 2]" 1
626 1 45 PRO HD2 1 46 GLU H 4.000 . 5.000 3.652 3.062 4.320 . 0 0 "[ . 1 . 2]" 1
627 1 45 PRO HD3 1 46 GLU H 4.000 . 5.000 4.577 4.181 4.952 . 0 0 "[ . 1 . 2]" 1
628 1 45 PRO QG 1 46 GLU H 4.000 . 5.000 3.826 2.654 4.153 . 0 0 "[ . 1 . 2]" 1
629 1 46 GLU H 1 46 GLU QB 3.000 . 3.500 2.651 2.455 2.879 . 0 0 "[ . 1 . 2]" 1
630 1 46 GLU H 1 46 GLU HG2 4.000 . 5.000 3.331 2.059 3.799 . 0 0 "[ . 1 . 2]" 1
631 1 46 GLU H 1 46 GLU HG3 4.000 . 5.000 2.677 1.779 4.000 0.021 9 0 "[ . 1 . 2]" 1
632 1 46 GLU H 1 47 CYS H 3.000 . 3.500 2.743 2.552 2.915 . 0 0 "[ . 1 . 2]" 1
633 1 46 GLU H 1 47 CYS HA 4.000 . 6.000 5.380 5.203 5.531 . 0 0 "[ . 1 . 2]" 1
634 1 46 GLU H 1 48 LYS H 4.000 . 5.000 4.159 3.823 4.502 . 0 0 "[ . 1 . 2]" 1
635 1 46 GLU HA 1 48 LYS H 4.000 . 6.000 4.397 4.006 4.977 . 0 0 "[ . 1 . 2]" 1
636 1 46 GLU QB 1 47 CYS H 3.000 . 3.500 2.980 1.997 3.709 0.209 9 0 "[ . 1 . 2]" 1
637 1 46 GLU QG 1 47 CYS H 4.000 . 5.000 3.438 2.103 4.526 . 0 0 "[ . 1 . 2]" 1
638 1 47 CYS H 1 47 CYS HB2 3.000 . 3.500 2.455 2.361 2.552 . 0 0 "[ . 1 . 2]" 1
639 1 47 CYS H 1 47 CYS HB3 4.000 . 5.000 3.626 3.598 3.684 . 0 0 "[ . 1 . 2]" 1
640 1 47 CYS H 1 48 LYS H 3.000 . 3.500 2.569 2.305 2.861 . 0 0 "[ . 1 . 2]" 1
641 1 47 CYS HB2 1 48 LYS H 4.000 . 5.000 2.897 2.677 3.146 . 0 0 "[ . 1 . 2]" 1
642 1 47 CYS HB3 1 48 LYS H 4.000 . 5.000 3.792 3.514 4.019 . 0 0 "[ . 1 . 2]" 1
643 1 48 LYS H 1 48 LYS QB 3.000 . 3.500 2.420 2.219 2.820 . 0 0 "[ . 1 . 2]" 1
644 1 48 LYS H 1 48 LYS QD 4.000 . 5.000 4.221 3.214 4.791 . 0 0 "[ . 1 . 2]" 1
645 1 48 LYS H 1 48 LYS HG2 4.000 . 6.000 3.774 2.031 4.525 . 0 0 "[ . 1 . 2]" 1
646 1 48 LYS H 1 48 LYS QG 4.000 . 5.000 3.182 1.903 4.039 . 0 0 "[ . 1 . 2]" 1
647 1 48 LYS H 1 48 LYS HG3 4.000 . 6.000 3.719 1.911 4.580 . 0 0 "[ . 1 . 2]" 1
648 1 48 LYS HA 1 48 LYS QE 4.000 . 5.000 4.430 3.622 5.091 0.091 10 0 "[ . 1 . 2]" 1
649 1 48 LYS QB 1 48 LYS QD 2.000 . 2.700 2.358 2.154 2.795 0.095 19 0 "[ . 1 . 2]" 1
650 1 48 LYS QB 1 48 LYS QE 4.000 . 5.000 2.613 1.971 3.707 . 0 0 "[ . 1 . 2]" 1
651 1 48 LYS QB 1 49 ILE H 4.000 . 5.000 2.976 2.352 3.892 . 0 0 "[ . 1 . 2]" 1
652 1 48 LYS QD 1 49 ILE H 4.000 . 6.000 4.631 2.650 5.419 . 0 0 "[ . 1 . 2]" 1
653 1 48 LYS QG 1 49 ILE H 4.000 . 5.000 3.528 2.162 4.279 . 0 0 "[ . 1 . 2]" 1
654 1 49 ILE H 1 49 ILE HB 4.000 . 5.000 2.879 2.381 3.841 . 0 0 "[ . 1 . 2]" 1
655 1 49 ILE H 1 49 ILE MD 4.000 . 5.000 3.606 2.451 3.965 . 0 0 "[ . 1 . 2]" 1
656 1 49 ILE H 1 49 ILE HG12 4.000 . 5.000 3.075 1.984 4.203 . 0 0 "[ . 1 . 2]" 1
657 1 49 ILE H 1 49 ILE HG13 4.000 . 5.000 2.967 2.082 4.013 . 0 0 "[ . 1 . 2]" 1
658 1 49 ILE H 1 49 ILE MG 4.000 . 5.000 3.492 2.387 3.904 . 0 0 "[ . 1 . 2]" 1
659 1 49 ILE H 1 50 GLU H 4.000 . 5.000 2.439 2.098 2.817 . 0 0 "[ . 1 . 2]" 1
660 1 49 ILE HA 1 49 ILE MD 4.000 . 5.000 3.570 2.008 4.271 . 0 0 "[ . 1 . 2]" 1
661 1 49 ILE HA 1 49 ILE MG 3.000 . 3.500 2.466 2.311 2.647 . 0 0 "[ . 1 . 2]" 1
662 1 49 ILE QG 1 49 ILE MG 3.000 . 3.500 2.359 2.135 2.458 . 0 0 "[ . 1 . 2]" 1
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