NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
383037 |
1jt8   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jt8
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 636
_Distance_constraint_stats_list.Viol_count 433
_Distance_constraint_stats_list.Viol_total 227.043
_Distance_constraint_stats_list.Viol_max 0.370
_Distance_constraint_stats_list.Viol_rms 0.0198
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0524
_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 3 GLU 0.000 0.000 . 0 "[ . 1]"
1 4 GLN 0.000 0.000 . 0 "[ . 1]"
1 5 GLN 0.000 0.000 . 0 "[ . 1]"
1 6 GLN 0.000 0.000 . 0 "[ . 1]"
1 7 GLU 0.000 0.000 . 0 "[ . 1]"
1 8 GLN 0.000 0.000 . 0 "[ . 1]"
1 9 GLN 0.501 0.087 7 0 "[ . 1]"
1 10 ILE 0.501 0.087 7 0 "[ . 1]"
1 11 ARG 1.619 0.370 10 0 "[ . 1]"
1 12 VAL 2.117 0.370 10 0 "[ . 1]"
1 13 ARG 0.480 0.364 10 0 "[ . 1]"
1 14 ILE 0.000 0.000 . 0 "[ . 1]"
1 17 LYS 0.057 0.018 1 0 "[ . 1]"
1 18 GLU 0.100 0.043 7 0 "[ . 1]"
1 19 GLU 0.000 0.000 . 0 "[ . 1]"
1 20 ASN 0.000 0.000 . 0 "[ . 1]"
1 21 GLU 0.000 0.000 . 0 "[ . 1]"
1 22 ILE 0.012 0.006 2 0 "[ . 1]"
1 23 LEU 0.380 0.053 6 0 "[ . 1]"
1 24 GLY 0.301 0.074 7 0 "[ . 1]"
1 25 ILE 0.189 0.110 6 0 "[ . 1]"
1 26 ILE 0.805 0.114 9 0 "[ . 1]"
1 27 GLU 0.286 0.114 9 0 "[ . 1]"
1 28 GLN 0.062 0.036 1 0 "[ . 1]"
1 29 MET 0.000 0.000 . 0 "[ . 1]"
1 30 LEU 0.014 0.010 3 0 "[ . 1]"
1 33 SER 0.012 0.006 7 0 "[ . 1]"
1 34 ARG 0.398 0.056 5 0 "[ . 1]"
1 35 VAL 0.499 0.077 6 0 "[ . 1]"
1 36 ARG 1.169 0.116 2 0 "[ . 1]"
1 37 VAL 2.268 0.155 2 0 "[ . 1]"
1 38 ARG 2.090 0.223 4 0 "[ . 1]"
1 39 CYS 1.532 0.223 4 0 "[ . 1]"
1 40 LEU 1.246 0.130 6 0 "[ . 1]"
1 41 ASP 0.000 0.000 . 0 "[ . 1]"
1 42 GLY 1.246 0.130 6 0 "[ . 1]"
1 43 LYS 1.462 0.112 9 0 "[ . 1]"
1 44 THR 1.124 0.107 10 0 "[ . 1]"
1 45 ARG 0.825 0.136 3 0 "[ . 1]"
1 46 LEU 0.273 0.083 6 0 "[ . 1]"
1 47 GLY 0.090 0.050 6 0 "[ . 1]"
1 48 ARG 1.699 0.148 4 0 "[ . 1]"
1 49 ILE 0.717 0.079 6 0 "[ . 1]"
1 52 ARG 0.000 0.000 . 0 "[ . 1]"
1 53 LEU 0.000 0.000 . 0 "[ . 1]"
1 54 LYS 0.000 0.000 . 0 "[ . 1]"
1 55 ASN 0.063 0.036 4 0 "[ . 1]"
1 56 ARG 0.098 0.036 4 0 "[ . 1]"
1 57 ILE 0.263 0.059 5 0 "[ . 1]"
1 58 TRP 0.352 0.059 5 0 "[ . 1]"
1 59 VAL 0.000 0.000 . 0 "[ . 1]"
1 60 ARG 0.009 0.006 2 0 "[ . 1]"
1 61 GLU 0.049 0.023 7 0 "[ . 1]"
1 62 GLY 0.156 0.087 9 0 "[ . 1]"
1 63 ASP 0.240 0.087 9 0 "[ . 1]"
1 64 VAL 0.383 0.110 6 0 "[ . 1]"
1 65 VAL 0.494 0.074 7 0 "[ . 1]"
1 66 ILE 0.375 0.053 6 0 "[ . 1]"
1 67 VAL 0.403 0.078 9 0 "[ . 1]"
1 68 LYS 2.430 0.317 8 0 "[ . 1]"
1 69 PRO 0.581 0.104 9 0 "[ . 1]"
1 70 TRP 3.007 0.224 10 0 "[ . 1]"
1 71 GLU 0.305 0.051 5 0 "[ . 1]"
1 72 VAL 0.244 0.051 5 0 "[ . 1]"
1 73 GLN 0.199 0.046 2 0 "[ . 1]"
1 74 GLY 0.167 0.046 2 0 "[ . 1]"
1 75 ASP 0.429 0.087 8 0 "[ . 1]"
1 76 GLN 0.344 0.074 4 0 "[ . 1]"
1 77 LYS 2.165 0.224 10 0 "[ . 1]"
1 78 CYS 0.828 0.104 9 0 "[ . 1]"
1 79 ASP 3.735 0.317 8 0 "[ . 1]"
1 80 ILE 1.187 0.091 5 0 "[ . 1]"
1 81 ILE 0.391 0.078 9 0 "[ . 1]"
1 82 TRP 0.093 0.058 4 0 "[ . 1]"
1 84 TYR 0.170 0.039 4 0 "[ . 1]"
1 85 THR 0.000 0.000 . 0 "[ . 1]"
1 87 THR 0.000 0.000 . 0 "[ . 1]"
1 88 GLN 0.011 0.011 7 0 "[ . 1]"
1 89 VAL 0.017 0.011 7 0 "[ . 1]"
1 90 GLU 0.005 0.005 7 0 "[ . 1]"
1 91 TRP 0.148 0.029 4 0 "[ . 1]"
1 92 LEU 0.000 0.000 . 0 "[ . 1]"
1 93 LYS 0.005 0.005 7 0 "[ . 1]"
1 94 ARG 0.107 0.107 6 0 "[ . 1]"
1 95 LYS 0.000 0.000 . 0 "[ . 1]"
1 96 GLY 0.000 0.000 . 0 "[ . 1]"
1 97 TYR 0.327 0.107 6 0 "[ . 1]"
1 98 LEU 0.195 0.097 6 0 "[ . 1]"
1 99 ASP 0.063 0.019 4 0 "[ . 1]"
1 100 GLU 0.015 0.015 2 0 "[ . 1]"
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 3 GLU H 1 3 GLU HB3 2.000 . 4.000 3.312 2.769 3.920 . 0 0 "[ . 1]" 1
2 1 3 GLU H 1 3 GLU HB2 2.000 . 4.000 2.779 2.210 3.947 . 0 0 "[ . 1]" 1
3 1 3 GLU H 1 3 GLU QG 2.000 . 5.000 3.715 2.271 4.261 . 0 0 "[ . 1]" 1
4 1 4 GLN H 1 4 GLN HB3 2.000 . 4.000 3.387 2.629 3.859 . 0 0 "[ . 1]" 1
5 1 4 GLN H 1 4 GLN HB2 2.000 . 4.000 3.118 2.141 3.972 . 0 0 "[ . 1]" 1
6 1 4 GLN H 1 4 GLN QG 2.000 . 5.000 3.373 2.113 4.408 . 0 0 "[ . 1]" 1
7 1 6 GLN H 1 6 GLN HB3 2.000 . 4.000 3.311 2.552 3.779 . 0 0 "[ . 1]" 1
8 1 6 GLN H 1 6 GLN HB2 2.000 . 4.000 2.908 2.184 3.635 . 0 0 "[ . 1]" 1
9 1 6 GLN H 1 6 GLN QG 2.000 . 5.000 3.754 1.985 4.343 . 0 0 "[ . 1]" 1
10 1 5 GLN HA 1 6 GLN H 2.000 . 4.000 2.615 2.177 3.591 . 0 0 "[ . 1]" 1
11 1 5 GLN HB3 1 6 GLN H 2.000 . 5.000 3.362 2.204 4.685 . 0 0 "[ . 1]" 1
12 1 5 GLN HB2 1 6 GLN H 2.000 . 5.000 3.765 2.488 4.566 . 0 0 "[ . 1]" 1
13 1 7 GLU H 1 7 GLU HB3 2.000 . 4.000 3.131 2.576 3.753 . 0 0 "[ . 1]" 1
14 1 7 GLU H 1 7 GLU HB2 2.000 . 4.000 2.937 2.414 3.697 . 0 0 "[ . 1]" 1
15 1 7 GLU H 1 7 GLU QG 2.000 . 5.000 3.522 1.943 4.267 . 0 0 "[ . 1]" 1
16 1 6 GLN HA 1 7 GLU H 2.000 . 4.000 2.736 2.174 3.592 . 0 0 "[ . 1]" 1
17 1 6 GLN HB3 1 7 GLU H 2.000 . 5.000 3.722 2.098 4.391 . 0 0 "[ . 1]" 1
18 1 6 GLN HB2 1 7 GLU H 2.000 . 5.000 3.850 2.371 4.683 . 0 0 "[ . 1]" 1
19 1 8 GLN H 1 8 GLN HB3 2.000 . 4.000 3.220 2.511 3.801 . 0 0 "[ . 1]" 1
20 1 8 GLN H 1 8 GLN HB2 2.000 . 4.000 2.996 2.293 3.894 . 0 0 "[ . 1]" 1
21 1 8 GLN H 1 8 GLN QG 2.000 . 5.000 3.306 2.026 4.277 . 0 0 "[ . 1]" 1
22 1 7 GLU HA 1 8 GLN H 2.000 . 4.000 2.857 2.187 3.593 . 0 0 "[ . 1]" 1
23 1 7 GLU HB3 1 8 GLN H 2.000 . 5.000 2.949 1.894 4.227 . 0 0 "[ . 1]" 1
24 1 7 GLU HB2 1 8 GLN H 2.000 . 5.000 3.740 3.074 4.462 . 0 0 "[ . 1]" 1
25 1 9 GLN H 1 9 GLN HB3 2.000 . 4.000 3.347 3.088 3.616 . 0 0 "[ . 1]" 1
26 1 9 GLN H 1 9 GLN HB2 2.000 . 4.000 2.660 2.118 3.965 . 0 0 "[ . 1]" 1
27 1 9 GLN H 1 9 GLN QG 2.000 . 5.000 3.372 2.045 4.045 . 0 0 "[ . 1]" 1
28 1 8 GLN HA 1 9 GLN H 2.000 . 4.000 2.539 2.181 3.584 . 0 0 "[ . 1]" 1
29 1 8 GLN HB3 1 9 GLN H 2.000 . 5.000 3.700 2.365 4.505 . 0 0 "[ . 1]" 1
30 1 8 GLN HB2 1 9 GLN H 2.000 . 5.000 4.052 2.647 4.572 . 0 0 "[ . 1]" 1
31 1 9 GLN HA 1 10 ILE H 2.000 . 3.000 2.668 2.264 3.059 0.059 3 0 "[ . 1]" 1
32 1 10 ILE H 1 10 ILE HB 2.000 . 4.000 3.264 2.468 3.748 . 0 0 "[ . 1]" 1
33 1 10 ILE H 1 10 ILE MG 2.000 . 3.000 2.100 1.915 2.333 . 0 0 "[ . 1]" 1
34 1 9 GLN QG 1 10 ILE H 2.000 . 5.000 3.444 2.179 4.565 . 0 0 "[ . 1]" 1
35 1 9 GLN HB3 1 10 ILE H 2.000 . 4.000 3.299 2.065 4.087 0.087 7 0 "[ . 1]" 1
36 1 9 GLN HB2 1 10 ILE H 2.000 . 4.000 3.659 1.854 4.057 0.057 7 0 "[ . 1]" 1
37 1 10 ILE HA 1 11 ARG H 2.000 . 4.000 2.631 2.200 3.548 . 0 0 "[ . 1]" 1
38 1 10 ILE MG 1 11 ARG H 2.000 . 5.000 3.960 3.581 4.150 . 0 0 "[ . 1]" 1
39 1 11 ARG HA 1 12 VAL H 2.000 . 3.000 2.937 2.257 3.370 0.370 10 0 "[ . 1]" 1
40 1 11 ARG HB3 1 12 VAL H 2.000 . 4.000 3.293 1.857 4.091 0.091 3 0 "[ . 1]" 1
41 1 11 ARG HB2 1 12 VAL H 2.000 . 4.000 3.617 2.519 4.071 0.071 1 0 "[ . 1]" 1
42 1 12 VAL H 1 12 VAL HB 2.000 . 4.000 3.034 2.372 4.018 0.018 4 0 "[ . 1]" 1
43 1 12 VAL H 1 12 VAL MG1 2.000 . 4.000 2.565 2.328 3.287 . 0 0 "[ . 1]" 1
44 1 12 VAL HA 1 12 VAL MG2 2.000 . 4.000 2.533 2.009 3.212 . 0 0 "[ . 1]" 1
45 1 12 VAL HA 1 12 VAL MG1 2.000 . 4.000 2.793 2.099 3.194 . 0 0 "[ . 1]" 1
46 1 12 VAL HA 1 13 ARG H 2.000 . 3.000 2.680 2.272 3.364 0.364 10 0 "[ . 1]" 1
47 1 13 ARG H 1 13 ARG QB 2.000 . 4.000 2.963 2.285 3.493 . 0 0 "[ . 1]" 1
48 1 13 ARG H 1 13 ARG QG 2.000 . 5.000 3.669 2.503 4.246 . 0 0 "[ . 1]" 1
49 1 12 VAL HB 1 13 ARG H 2.000 . 4.000 3.094 1.700 4.068 0.068 6 0 "[ . 1]" 1
50 1 12 VAL MG1 1 13 ARG H 2.000 . 4.000 3.033 1.913 3.508 . 0 0 "[ . 1]" 1
51 1 12 VAL MG2 1 13 ARG H 2.000 . 4.000 2.341 1.876 3.350 . 0 0 "[ . 1]" 1
52 1 14 ILE H 1 14 ILE HB 2.000 . 4.000 3.221 2.537 3.938 . 0 0 "[ . 1]" 1
53 1 14 ILE H 1 14 ILE MG 2.000 . 4.000 2.241 2.013 2.768 . 0 0 "[ . 1]" 1
54 1 13 ARG HA 1 14 ILE H 2.000 . 4.000 2.814 2.197 3.585 . 0 0 "[ . 1]" 1
55 1 13 ARG QB 1 14 ILE H 2.000 . 5.000 3.049 1.913 4.025 . 0 0 "[ . 1]" 1
56 1 13 ARG QG 1 14 ILE H 2.000 . 5.000 3.752 2.282 4.458 . 0 0 "[ . 1]" 1
57 1 14 ILE HA 1 14 ILE MG 2.000 . 4.000 2.924 2.219 3.217 . 0 0 "[ . 1]" 1
58 1 17 LYS H 1 18 GLU H 2.000 . 3.000 2.715 2.225 3.018 0.018 1 0 "[ . 1]" 1
59 1 18 GLU H 1 18 GLU HB3 2.000 . 4.000 3.438 2.672 4.043 0.043 7 0 "[ . 1]" 1
60 1 18 GLU H 1 18 GLU HB2 2.000 . 4.000 2.687 2.104 3.920 . 0 0 "[ . 1]" 1
61 1 17 LYS HA 1 18 GLU H 2.000 . 4.000 2.907 2.446 3.589 . 0 0 "[ . 1]" 1
62 1 17 LYS HB3 1 18 GLU H 2.000 . 5.000 4.239 2.274 4.637 . 0 0 "[ . 1]" 1
63 1 17 LYS HB2 1 18 GLU H 2.000 . 5.000 4.312 3.725 4.633 . 0 0 "[ . 1]" 1
64 1 19 GLU H 1 19 GLU HB3 2.000 . 4.000 3.444 3.060 3.699 . 0 0 "[ . 1]" 1
65 1 19 GLU H 1 19 GLU HB2 2.000 . 4.000 2.502 2.172 3.265 . 0 0 "[ . 1]" 1
66 1 19 GLU H 1 19 GLU HG3 2.000 . 5.000 3.830 3.040 4.781 . 0 0 "[ . 1]" 1
67 1 19 GLU H 1 19 GLU HG2 2.000 . 5.000 4.188 3.178 4.901 . 0 0 "[ . 1]" 1
68 1 18 GLU HA 1 19 GLU H 2.000 . 4.000 2.934 2.187 3.597 . 0 0 "[ . 1]" 1
69 1 18 GLU HB3 1 19 GLU H 2.000 . 5.000 2.954 1.891 4.340 . 0 0 "[ . 1]" 1
70 1 18 GLU HB2 1 19 GLU H 2.000 . 5.000 3.422 2.202 4.458 . 0 0 "[ . 1]" 1
71 1 19 GLU HA 1 19 GLU HG3 2.000 . 5.000 2.627 2.053 3.572 . 0 0 "[ . 1]" 1
72 1 19 GLU HA 1 19 GLU HG2 2.000 . 5.000 2.750 1.975 3.395 . 0 0 "[ . 1]" 1
73 1 20 ASN H 1 20 ASN HB3 2.000 . 4.000 3.484 2.897 3.989 . 0 0 "[ . 1]" 1
74 1 20 ASN H 1 20 ASN HB2 2.000 . 4.000 3.004 2.147 3.931 . 0 0 "[ . 1]" 1
75 1 20 ASN HA 1 21 GLU H 2.000 . 4.000 2.853 2.189 3.602 . 0 0 "[ . 1]" 1
76 1 22 ILE H 1 22 ILE MG 2.000 . 4.000 3.366 3.323 3.441 . 0 0 "[ . 1]" 1
77 1 22 ILE H 1 23 LEU H 2.000 . 6.000 4.609 4.564 4.658 . 0 0 "[ . 1]" 1
78 1 22 ILE H 1 22 ILE QG 2.000 . 6.000 2.882 1.781 4.016 . 0 0 "[ . 1]" 1
79 1 22 ILE H 1 22 ILE MD 2.000 . 6.000 2.951 2.190 3.635 . 0 0 "[ . 1]" 1
80 1 22 ILE H 1 68 LYS HA 2.000 . 4.000 3.781 3.689 3.895 . 0 0 "[ . 1]" 1
81 1 22 ILE H 1 67 VAL H 2.000 . 4.000 3.929 3.805 4.006 0.006 2 0 "[ . 1]" 1
82 1 22 ILE HA 1 22 ILE MG 2.000 . 4.000 2.420 1.928 2.836 . 0 0 "[ . 1]" 1
83 1 22 ILE HA 1 22 ILE QG 2.000 . 6.000 2.713 1.930 3.437 . 0 0 "[ . 1]" 1
84 1 22 ILE HA 1 22 ILE MD 2.000 . 6.000 3.132 2.084 4.103 . 0 0 "[ . 1]" 1
85 1 22 ILE HA 1 23 LEU H 2.000 . 4.000 2.488 2.451 2.507 . 0 0 "[ . 1]" 1
86 1 22 ILE HB 1 23 LEU H 2.000 . 6.000 3.440 2.666 4.271 . 0 0 "[ . 1]" 1
87 1 22 ILE MG 1 23 LEU H 2.000 . 4.000 2.659 2.064 3.288 . 0 0 "[ . 1]" 1
88 1 22 ILE QG 1 23 LEU H 2.000 . 6.000 3.755 3.111 4.327 . 0 0 "[ . 1]" 1
89 1 22 ILE MD 1 23 LEU H 2.000 . 6.000 4.639 4.095 4.842 . 0 0 "[ . 1]" 1
90 1 23 LEU H 1 23 LEU HG 2.000 . 6.000 3.458 1.927 4.942 . 0 0 "[ . 1]" 1
91 1 23 LEU H 1 23 LEU QD 2.000 . 6.000 2.681 1.695 3.938 . 0 0 "[ . 1]" 1
92 1 23 LEU H 1 23 LEU QB 2.000 . 6.000 2.906 2.500 3.253 . 0 0 "[ . 1]" 1
93 1 23 LEU H 1 40 LEU H 2.000 . 4.000 3.430 2.940 3.786 . 0 0 "[ . 1]" 1
94 1 23 LEU HA 1 67 VAL H 2.000 . 4.000 2.954 2.621 3.364 . 0 0 "[ . 1]" 1
95 1 23 LEU HA 1 66 ILE HA 2.000 . 4.000 2.848 2.575 3.221 . 0 0 "[ . 1]" 1
96 1 23 LEU HA 1 89 VAL HA 2.000 . 6.000 5.670 4.826 6.005 0.005 6 0 "[ . 1]" 1
97 1 23 LEU HA 1 23 LEU QD 2.000 . 6.000 2.754 1.804 3.440 . 0 0 "[ . 1]" 1
98 1 23 LEU HA 1 23 LEU QB 2.000 . 6.000 2.291 2.158 2.542 . 0 0 "[ . 1]" 1
99 1 23 LEU HA 1 24 GLY H 2.000 . 3.000 2.279 2.235 2.337 . 0 0 "[ . 1]" 1
100 1 23 LEU QD 1 24 GLY H 2.000 . 6.000 3.402 2.155 4.364 . 0 0 "[ . 1]" 1
101 1 23 LEU HG 1 24 GLY H 2.000 . 6.000 4.917 3.737 5.826 . 0 0 "[ . 1]" 1
102 1 23 LEU QB 1 24 GLY H 2.000 . 6.000 3.434 3.295 3.639 . 0 0 "[ . 1]" 1
103 1 24 GLY H 1 66 ILE HA 2.000 . 4.000 3.153 2.939 3.348 . 0 0 "[ . 1]" 1
104 1 24 GLY H 1 65 VAL H 2.000 . 4.000 4.029 3.992 4.074 0.074 7 0 "[ . 1]" 1
105 1 24 GLY HA3 1 39 CYS HA 2.000 . 4.000 2.890 2.497 3.550 . 0 0 "[ . 1]" 1
106 1 24 GLY HA2 1 39 CYS HA 2.000 . 4.000 1.973 1.899 2.150 . 0 0 "[ . 1]" 1
107 1 24 GLY HA3 1 25 ILE H 2.000 . 4.000 2.774 2.744 2.857 . 0 0 "[ . 1]" 1
108 1 24 GLY HA2 1 25 ILE H 2.000 . 4.000 2.318 2.261 2.367 . 0 0 "[ . 1]" 1
109 1 25 ILE H 1 39 CYS HA 2.000 . 5.000 3.325 3.058 3.651 . 0 0 "[ . 1]" 1
110 1 25 ILE H 1 25 ILE HB 2.000 . 4.000 3.470 2.802 3.792 . 0 0 "[ . 1]" 1
111 1 25 ILE H 1 25 ILE MG 2.000 . 6.000 2.661 1.954 3.786 . 0 0 "[ . 1]" 1
112 1 25 ILE H 1 25 ILE QG 2.000 . 6.000 2.464 1.891 4.146 . 0 0 "[ . 1]" 1
113 1 25 ILE H 1 25 ILE MD 2.000 . 6.000 3.485 1.969 4.440 . 0 0 "[ . 1]" 1
114 1 25 ILE H 1 38 ARG H 2.000 . 4.000 3.216 2.884 3.505 . 0 0 "[ . 1]" 1
115 1 25 ILE HA 1 64 VAL HA 2.000 . 3.000 2.471 2.123 2.928 . 0 0 "[ . 1]" 1
116 1 25 ILE HA 1 65 VAL H 2.000 . 4.000 2.782 2.479 3.151 . 0 0 "[ . 1]" 1
117 1 25 ILE HA 1 25 ILE MG 2.000 . 6.000 2.489 1.976 3.223 . 0 0 "[ . 1]" 1
118 1 25 ILE HA 1 25 ILE QG 2.000 . 6.000 3.090 2.239 3.459 . 0 0 "[ . 1]" 1
119 1 25 ILE HA 1 25 ILE MD 2.000 . 6.000 3.755 3.295 4.141 . 0 0 "[ . 1]" 1
120 1 25 ILE HB 1 64 VAL HA 2.000 . 5.000 4.004 3.395 4.511 . 0 0 "[ . 1]" 1
121 1 25 ILE HA 1 64 VAL HB 2.000 . 5.000 4.886 4.722 5.110 0.110 6 0 "[ . 1]" 1
122 1 26 ILE H 1 64 VAL HA 2.000 . 4.000 3.349 2.916 3.750 . 0 0 "[ . 1]" 1
123 1 25 ILE HA 1 26 ILE H 2.000 . 3.000 2.249 2.186 2.301 . 0 0 "[ . 1]" 1
124 1 25 ILE HB 1 26 ILE H 2.000 . 5.000 3.424 2.914 4.311 . 0 0 "[ . 1]" 1
125 1 25 ILE MG 1 26 ILE H 2.000 . 6.000 3.798 2.939 4.187 . 0 0 "[ . 1]" 1
126 1 25 ILE QG 1 26 ILE H 2.000 . 6.000 3.904 2.556 4.642 . 0 0 "[ . 1]" 1
127 1 25 ILE MD 1 26 ILE H 2.000 . 6.000 4.162 2.841 4.960 . 0 0 "[ . 1]" 1
128 1 26 ILE HA 1 37 VAL HA 2.000 . 3.000 2.617 2.475 2.749 . 0 0 "[ . 1]" 1
129 1 26 ILE H 1 26 ILE HB 2.000 . 4.000 3.077 2.344 3.702 . 0 0 "[ . 1]" 1
130 1 26 ILE H 1 26 ILE MG 2.000 . 4.000 2.693 2.165 2.998 . 0 0 "[ . 1]" 1
131 1 26 ILE HA 1 26 ILE MG 2.000 . 4.000 2.697 2.214 3.174 . 0 0 "[ . 1]" 1
132 1 26 ILE HA 1 27 GLU H 2.000 . 3.000 2.199 2.135 2.280 . 0 0 "[ . 1]" 1
133 1 26 ILE HB 1 27 GLU H 2.000 . 4.000 3.350 2.469 4.114 0.114 9 0 "[ . 1]" 1
134 1 26 ILE MG 1 27 GLU H 2.000 . 4.000 3.191 2.818 3.360 . 0 0 "[ . 1]" 1
135 1 27 GLU H 1 27 GLU HB3 2.000 . 4.000 3.528 2.925 3.840 . 0 0 "[ . 1]" 1
136 1 27 GLU H 1 27 GLU HB2 2.000 . 4.000 2.878 2.666 3.833 . 0 0 "[ . 1]" 1
137 1 27 GLU H 1 27 GLU HG3 2.000 . 5.000 4.140 3.711 4.871 . 0 0 "[ . 1]" 1
138 1 27 GLU H 1 27 GLU HG2 2.000 . 5.000 4.250 2.050 4.960 . 0 0 "[ . 1]" 1
139 1 27 GLU H 1 37 VAL HA 2.000 . 4.000 3.504 3.244 3.770 . 0 0 "[ . 1]" 1
140 1 27 GLU H 1 36 ARG H 2.000 . 4.000 3.452 3.103 3.831 . 0 0 "[ . 1]" 1
141 1 27 GLU HA 1 27 GLU HG3 2.000 . 5.000 2.850 2.011 4.186 . 0 0 "[ . 1]" 1
142 1 27 GLU HA 1 27 GLU HG2 2.000 . 5.000 2.634 1.985 3.531 . 0 0 "[ . 1]" 1
143 1 28 GLN H 1 28 GLN HB3 2.000 . 4.000 2.984 2.517 3.836 . 0 0 "[ . 1]" 1
144 1 28 GLN H 1 28 GLN HB2 2.000 . 4.000 3.051 2.242 3.636 . 0 0 "[ . 1]" 1
145 1 28 GLN H 1 28 GLN HG3 2.000 . 5.000 4.298 1.992 5.036 0.036 1 0 "[ . 1]" 1
146 1 28 GLN H 1 28 GLN HG2 2.000 . 5.000 4.063 2.266 5.011 0.011 9 0 "[ . 1]" 1
147 1 28 GLN HA 1 28 GLN HG3 2.000 . 5.000 3.182 2.368 3.645 . 0 0 "[ . 1]" 1
148 1 28 GLN HA 1 28 GLN HG2 2.000 . 5.000 2.857 1.961 3.975 . 0 0 "[ . 1]" 1
149 1 29 MET H 1 29 MET HB3 2.000 . 4.000 3.158 2.638 3.549 . 0 0 "[ . 1]" 1
150 1 29 MET H 1 29 MET HB2 2.000 . 4.000 2.626 2.130 3.630 . 0 0 "[ . 1]" 1
151 1 29 MET H 1 29 MET HG3 2.000 . 6.000 4.058 2.198 4.754 . 0 0 "[ . 1]" 1
152 1 29 MET H 1 29 MET HG2 2.000 . 6.000 4.315 2.474 5.259 . 0 0 "[ . 1]" 1
153 1 28 GLN HA 1 29 MET H 2.000 . 4.000 2.272 2.172 2.524 . 0 0 "[ . 1]" 1
154 1 28 GLN HB3 1 29 MET H 2.000 . 5.000 4.115 3.018 4.472 . 0 0 "[ . 1]" 1
155 1 28 GLN HB2 1 29 MET H 2.000 . 5.000 4.303 3.023 4.691 . 0 0 "[ . 1]" 1
156 1 30 LEU H 1 30 LEU HB3 2.000 . 4.000 3.704 3.367 4.003 0.003 6 0 "[ . 1]" 1
157 1 30 LEU H 1 30 LEU HB2 2.000 . 4.000 2.807 2.237 4.010 0.010 3 0 "[ . 1]" 1
158 1 30 LEU H 1 30 LEU MD1 2.000 . 5.000 3.543 2.180 4.129 . 0 0 "[ . 1]" 1
159 1 30 LEU H 1 30 LEU MD2 2.000 . 5.000 3.883 2.979 4.203 . 0 0 "[ . 1]" 1
160 1 30 LEU HA 1 30 LEU MD1 2.000 . 5.000 3.365 1.877 3.986 . 0 0 "[ . 1]" 1
161 1 30 LEU HA 1 30 LEU MD2 2.000 . 5.000 2.530 2.011 3.732 . 0 0 "[ . 1]" 1
162 1 33 SER HA 1 34 ARG H 2.000 . 4.000 3.473 3.232 3.593 . 0 0 "[ . 1]" 1
163 1 33 SER HB3 1 34 ARG H 2.000 . 4.000 3.262 2.367 4.003 0.003 5 0 "[ . 1]" 1
164 1 33 SER HB2 1 34 ARG H 2.000 . 4.000 3.366 2.566 4.006 0.006 7 0 "[ . 1]" 1
165 1 34 ARG H 1 34 ARG HB3 2.000 . 4.000 3.198 2.529 3.697 . 0 0 "[ . 1]" 1
166 1 34 ARG H 1 34 ARG HB2 2.000 . 4.000 3.289 2.367 3.901 . 0 0 "[ . 1]" 1
167 1 34 ARG H 1 34 ARG HG3 2.000 . 5.000 3.487 2.522 4.699 . 0 0 "[ . 1]" 1
168 1 34 ARG H 1 34 ARG HG2 2.000 . 5.000 2.910 1.923 4.407 . 0 0 "[ . 1]" 1
169 1 34 ARG HA 1 49 ILE H 2.000 . 4.000 3.812 3.420 4.009 0.009 9 0 "[ . 1]" 1
170 1 34 ARG HA 1 48 ARG HA 2.000 . 3.000 2.957 2.635 3.041 0.041 10 0 "[ . 1]" 1
171 1 34 ARG HA 1 48 ARG HB3 2.000 . 5.000 4.695 4.344 4.944 . 0 0 "[ . 1]" 1
172 1 34 ARG HA 1 48 ARG HB2 2.000 . 5.000 4.944 4.757 5.016 0.016 6 0 "[ . 1]" 1
173 1 34 ARG HB3 1 48 ARG HA 2.000 . 5.000 4.259 3.689 5.009 0.009 6 0 "[ . 1]" 1
174 1 34 ARG HB2 1 48 ARG HA 2.000 . 5.000 4.448 3.796 5.019 0.019 8 0 "[ . 1]" 1
175 1 34 ARG HA 1 35 VAL H 2.000 . 3.000 2.317 2.180 2.411 . 0 0 "[ . 1]" 1
176 1 34 ARG HB3 1 35 VAL H 2.000 . 4.000 3.585 2.567 4.056 0.056 5 0 "[ . 1]" 1
177 1 34 ARG HB2 1 35 VAL H 2.000 . 4.000 3.230 2.574 4.053 0.053 6 0 "[ . 1]" 1
178 1 34 ARG HG3 1 35 VAL H 2.000 . 5.000 4.100 3.087 4.990 . 0 0 "[ . 1]" 1
179 1 34 ARG HG2 1 35 VAL H 2.000 . 5.000 4.113 2.111 4.690 . 0 0 "[ . 1]" 1
180 1 35 VAL H 1 35 VAL HB 2.000 . 4.000 3.192 2.183 3.858 . 0 0 "[ . 1]" 1
181 1 35 VAL H 1 35 VAL MG1 2.000 . 4.000 3.229 3.027 3.403 . 0 0 "[ . 1]" 1
182 1 35 VAL H 1 35 VAL MG2 2.000 . 4.000 2.563 1.875 3.371 . 0 0 "[ . 1]" 1
183 1 35 VAL H 1 47 GLY H 2.000 . 4.000 3.656 3.371 4.050 0.050 6 0 "[ . 1]" 1
184 1 35 VAL H 1 48 ARG HA 2.000 . 4.000 3.724 3.160 3.946 . 0 0 "[ . 1]" 1
185 1 35 VAL HA 1 35 VAL MG1 2.000 . 4.000 2.452 2.114 2.847 . 0 0 "[ . 1]" 1
186 1 35 VAL HA 1 35 VAL MG2 2.000 . 4.000 2.729 1.946 3.184 . 0 0 "[ . 1]" 1
187 1 35 VAL HB 1 35 VAL MG1 2.000 . 3.000 2.125 2.099 2.137 . 0 0 "[ . 1]" 1
188 1 35 VAL HB 1 35 VAL MG2 2.000 . 3.000 2.130 2.106 2.141 . 0 0 "[ . 1]" 1
189 1 35 VAL HA 1 36 ARG H 2.000 . 3.000 2.416 2.381 2.443 . 0 0 "[ . 1]" 1
190 1 36 ARG H 1 36 ARG HB3 2.000 . 4.000 3.202 2.532 3.670 . 0 0 "[ . 1]" 1
191 1 36 ARG H 1 36 ARG HB2 2.000 . 4.000 3.507 2.921 3.728 . 0 0 "[ . 1]" 1
192 1 36 ARG H 1 36 ARG HG3 2.000 . 5.000 2.667 1.974 4.865 . 0 0 "[ . 1]" 1
193 1 36 ARG H 1 36 ARG HG2 2.000 . 5.000 2.728 2.117 4.508 . 0 0 "[ . 1]" 1
194 1 35 VAL HB 1 36 ARG H 2.000 . 4.000 2.942 2.153 4.077 0.077 6 0 "[ . 1]" 1
195 1 35 VAL MG1 1 36 ARG H 2.000 . 4.000 2.831 1.944 3.480 . 0 0 "[ . 1]" 1
196 1 35 VAL MG2 1 36 ARG H 2.000 . 4.000 3.305 2.963 3.461 . 0 0 "[ . 1]" 1
197 1 36 ARG HA 1 37 VAL H 2.000 . 3.000 2.243 2.192 2.288 . 0 0 "[ . 1]" 1
198 1 36 ARG HB3 1 37 VAL H 2.000 . 4.000 4.023 3.888 4.067 0.067 1 0 "[ . 1]" 1
199 1 36 ARG HB2 1 37 VAL H 2.000 . 4.000 3.524 3.305 4.116 0.116 2 0 "[ . 1]" 1
200 1 37 VAL H 1 37 VAL HB 2.000 . 4.000 2.916 2.343 3.808 . 0 0 "[ . 1]" 1
201 1 37 VAL H 1 37 VAL MG1 2.000 . 4.000 3.075 2.095 3.536 . 0 0 "[ . 1]" 1
202 1 37 VAL H 1 37 VAL MG2 2.000 . 4.000 3.177 1.902 3.477 . 0 0 "[ . 1]" 1
203 1 37 VAL HA 1 37 VAL MG1 2.000 . 4.000 2.691 1.850 3.024 . 0 0 "[ . 1]" 1
204 1 37 VAL HA 1 37 VAL MG2 2.000 . 4.000 2.437 1.963 3.068 . 0 0 "[ . 1]" 1
205 1 37 VAL H 1 47 GLY H 2.000 . 4.000 3.494 3.117 3.769 . 0 0 "[ . 1]" 1
206 1 37 VAL H 1 46 LEU HA 2.000 . 4.000 2.687 2.378 3.318 . 0 0 "[ . 1]" 1
207 1 37 VAL H 1 45 ARG H 2.000 . 4.000 4.082 4.003 4.136 0.136 3 0 "[ . 1]" 1
208 1 26 ILE HB 1 37 VAL QG 2.000 . 6.000 3.025 2.119 3.521 . 0 0 "[ . 1]" 1
209 1 26 ILE HA 1 37 VAL HB 2.000 . 5.000 3.555 1.684 4.568 . 0 0 "[ . 1]" 1
210 1 26 ILE HB 1 37 VAL HA 2.000 . 5.000 4.920 4.440 5.063 0.063 2 0 "[ . 1]" 1
211 1 37 VAL HA 1 38 ARG H 2.000 . 3.000 2.183 2.133 2.265 . 0 0 "[ . 1]" 1
212 1 38 ARG H 1 38 ARG HB3 2.000 . 4.000 3.337 3.231 3.497 . 0 0 "[ . 1]" 1
213 1 38 ARG H 1 38 ARG HB2 2.000 . 4.000 3.516 2.750 3.738 . 0 0 "[ . 1]" 1
214 1 37 VAL HB 1 38 ARG H 2.000 . 4.000 3.771 2.882 4.155 0.155 2 0 "[ . 1]" 1
215 1 37 VAL QG 1 38 ARG H 2.000 . 4.000 2.316 2.044 2.897 . 0 0 "[ . 1]" 1
216 1 26 ILE HA 1 38 ARG H 2.000 . 4.000 4.024 3.970 4.078 0.078 3 0 "[ . 1]" 1
217 1 38 ARG HA 1 44 THR HA 2.000 . 3.000 2.712 2.465 2.872 . 0 0 "[ . 1]" 1
218 1 38 ARG HA 1 44 THR HB 2.000 . 5.000 4.924 4.464 5.046 0.046 5 0 "[ . 1]" 1
219 1 38 ARG HA 1 44 THR HG1 2.000 . 6.000 2.554 2.355 3.050 . 0 0 "[ . 1]" 1
220 1 38 ARG HA 1 39 CYS H 2.000 . 3.000 2.333 2.291 2.366 . 0 0 "[ . 1]" 1
221 1 38 ARG HB3 1 39 CYS H 2.000 . 4.000 3.893 3.282 4.071 0.071 7 0 "[ . 1]" 1
222 1 38 ARG HB2 1 39 CYS H 2.000 . 4.000 3.358 3.053 4.223 0.223 4 0 "[ . 1]" 1
223 1 39 CYS H 1 39 CYS HB3 2.000 . 4.000 3.116 2.655 3.903 . 0 0 "[ . 1]" 1
224 1 39 CYS H 1 39 CYS HB2 2.000 . 4.000 3.612 2.989 3.912 . 0 0 "[ . 1]" 1
225 1 39 CYS H 1 44 THR HA 2.000 . 4.000 2.856 2.733 3.035 . 0 0 "[ . 1]" 1
226 1 39 CYS H 1 43 LYS H 2.000 . 4.000 4.078 4.009 4.112 0.112 9 0 "[ . 1]" 1
227 1 39 CYS HA 1 40 LEU H 2.000 . 4.000 2.249 2.192 2.286 . 0 0 "[ . 1]" 1
228 1 40 LEU H 1 40 LEU HB3 2.000 . 4.000 3.049 2.283 3.432 . 0 0 "[ . 1]" 1
229 1 40 LEU H 1 40 LEU HB2 2.000 . 4.000 2.324 2.213 2.725 . 0 0 "[ . 1]" 1
230 1 40 LEU H 1 40 LEU HG 2.000 . 5.000 4.360 3.439 4.700 . 0 0 "[ . 1]" 1
231 1 40 LEU H 1 40 LEU MD1 2.000 . 5.000 3.871 3.523 4.103 . 0 0 "[ . 1]" 1
232 1 40 LEU H 1 40 LEU MD2 2.000 . 5.000 3.899 3.226 4.203 . 0 0 "[ . 1]" 1
233 1 40 LEU HA 1 40 LEU MD1 2.000 . 5.000 2.178 1.594 3.711 . 0 0 "[ . 1]" 1
234 1 40 LEU HA 1 40 LEU MD2 2.000 . 5.000 2.999 1.923 3.895 . 0 0 "[ . 1]" 1
235 1 24 GLY HA3 1 40 LEU H 2.000 . 5.000 4.377 4.072 4.941 . 0 0 "[ . 1]" 1
236 1 24 GLY HA2 1 40 LEU H 2.000 . 5.000 3.202 3.008 3.476 . 0 0 "[ . 1]" 1
237 1 40 LEU H 1 41 ASP H 2.000 . 5.000 4.427 4.403 4.462 . 0 0 "[ . 1]" 1
238 1 41 ASP H 1 42 GLY H 2.000 . 5.000 2.080 2.054 2.124 . 0 0 "[ . 1]" 1
239 1 40 LEU HB3 1 42 GLY H 2.000 . 5.000 4.371 4.051 5.063 0.063 7 0 "[ . 1]" 1
240 1 40 LEU HB2 1 42 GLY H 2.000 . 5.000 5.097 5.040 5.130 0.130 6 0 "[ . 1]" 1
241 1 40 LEU HG 1 42 GLY H 2.000 . 5.000 4.407 3.679 5.078 0.078 9 0 "[ . 1]" 1
242 1 40 LEU QD 1 42 GLY H 2.000 . 5.000 2.939 2.414 3.266 . 0 0 "[ . 1]" 1
243 1 42 GLY H 1 43 LYS H 2.000 . 4.000 3.075 3.018 3.129 . 0 0 "[ . 1]" 1
244 1 42 GLY QA 1 43 LYS H 2.000 . 4.000 2.717 2.641 2.753 . 0 0 "[ . 1]" 1
245 1 43 LYS H 1 43 LYS HB3 2.000 . 4.000 3.496 3.243 3.752 . 0 0 "[ . 1]" 1
246 1 43 LYS H 1 43 LYS HB2 2.000 . 4.000 2.894 2.778 3.090 . 0 0 "[ . 1]" 1
247 1 43 LYS H 1 43 LYS HG3 2.000 . 6.000 4.586 4.220 4.945 . 0 0 "[ . 1]" 1
248 1 43 LYS H 1 43 LYS HG2 2.000 . 6.000 5.027 4.024 5.211 . 0 0 "[ . 1]" 1
249 1 43 LYS HA 1 43 LYS HG3 2.000 . 6.000 2.299 1.909 3.484 . 0 0 "[ . 1]" 1
250 1 43 LYS HA 1 43 LYS HG2 2.000 . 6.000 3.311 2.583 3.550 . 0 0 "[ . 1]" 1
251 1 43 LYS HA 1 44 THR H 2.000 . 3.000 2.251 2.220 2.316 . 0 0 "[ . 1]" 1
252 1 43 LYS HB3 1 44 THR H 2.000 . 4.000 3.053 2.722 3.438 . 0 0 "[ . 1]" 1
253 1 43 LYS HB2 1 44 THR H 2.000 . 4.000 4.068 4.016 4.107 0.107 10 0 "[ . 1]" 1
254 1 44 THR H 1 44 THR HB 2.000 . 4.000 3.174 3.019 3.327 . 0 0 "[ . 1]" 1
255 1 44 THR H 1 44 THR HG1 2.000 . 4.000 2.608 2.396 2.831 . 0 0 "[ . 1]" 1
256 1 43 LYS QG 1 44 THR H 2.000 . 4.000 2.592 1.922 3.744 . 0 0 "[ . 1]" 1
257 1 44 THR H 1 76 GLN H 2.000 . 5.000 4.279 4.162 4.444 . 0 0 "[ . 1]" 1
258 1 44 THR HA 1 44 THR HG1 2.000 . 4.000 2.149 2.037 2.279 . 0 0 "[ . 1]" 1
259 1 38 ARG HB3 1 44 THR HA 2.000 . 5.000 4.859 4.659 5.061 0.061 4 0 "[ . 1]" 1
260 1 38 ARG HB2 1 44 THR HA 2.000 . 5.000 4.930 4.760 5.032 0.032 4 0 "[ . 1]" 1
261 1 44 THR HA 1 45 ARG H 2.000 . 3.000 2.214 2.184 2.235 . 0 0 "[ . 1]" 1
262 1 44 THR HG1 1 45 ARG H 2.000 . 4.000 3.024 2.945 3.112 . 0 0 "[ . 1]" 1
263 1 38 ARG HA 1 45 ARG H 2.000 . 4.000 3.402 3.054 3.686 . 0 0 "[ . 1]" 1
264 1 45 ARG HA 1 76 GLN H 2.000 . 4.000 3.082 2.989 3.225 . 0 0 "[ . 1]" 1
265 1 45 ARG HA 1 46 LEU H 2.000 . 3.000 2.341 2.302 2.388 . 0 0 "[ . 1]" 1
266 1 45 ARG QB 1 46 LEU H 2.000 . 3.000 2.427 2.340 2.594 . 0 0 "[ . 1]" 1
267 1 46 LEU H 1 46 LEU HB3 2.000 . 4.000 3.525 3.045 3.735 . 0 0 "[ . 1]" 1
268 1 46 LEU H 1 46 LEU HB2 2.000 . 4.000 2.855 2.260 3.708 . 0 0 "[ . 1]" 1
269 1 46 LEU H 1 46 LEU MD1 2.000 . 5.000 3.177 2.119 3.895 . 0 0 "[ . 1]" 1
270 1 46 LEU H 1 46 LEU MD2 2.000 . 5.000 3.071 2.106 4.150 . 0 0 "[ . 1]" 1
271 1 46 LEU H 1 77 LYS HA 2.000 . 4.000 2.515 2.371 2.683 . 0 0 "[ . 1]" 1
272 1 46 LEU H 1 47 GLY H 2.000 . 5.000 4.429 4.340 4.489 . 0 0 "[ . 1]" 1
273 1 36 ARG HA 1 46 LEU HA 2.000 . 3.000 2.477 2.172 2.641 . 0 0 "[ . 1]" 1
274 1 46 LEU HA 1 46 LEU MD1 2.000 . 5.000 3.192 1.834 4.159 . 0 0 "[ . 1]" 1
275 1 46 LEU HA 1 46 LEU MD2 2.000 . 5.000 3.210 2.173 3.731 . 0 0 "[ . 1]" 1
276 1 36 ARG HA 1 46 LEU HB3 2.000 . 5.000 3.846 3.072 4.526 . 0 0 "[ . 1]" 1
277 1 36 ARG HA 1 46 LEU HB2 2.000 . 5.000 4.722 4.015 5.054 0.054 10 0 "[ . 1]" 1
278 1 36 ARG HB3 1 46 LEU HA 2.000 . 5.000 4.615 3.913 5.083 0.083 6 0 "[ . 1]" 1
279 1 36 ARG HB2 1 46 LEU HA 2.000 . 5.000 4.773 4.216 5.011 0.011 7 0 "[ . 1]" 1
280 1 46 LEU HA 1 47 GLY H 2.000 . 3.000 2.254 2.240 2.267 . 0 0 "[ . 1]" 1
281 1 46 LEU QB 1 47 GLY H 2.000 . 4.000 3.344 3.189 3.480 . 0 0 "[ . 1]" 1
282 1 36 ARG HA 1 47 GLY H 2.000 . 4.000 3.345 2.999 3.581 . 0 0 "[ . 1]" 1
283 1 47 GLY H 1 48 ARG H 2.000 . 5.000 4.588 4.539 4.611 . 0 0 "[ . 1]" 1
284 1 47 GLY H 1 78 CYS H 2.000 . 5.000 4.914 4.654 5.027 0.027 5 0 "[ . 1]" 1
285 1 47 GLY HA3 1 48 ARG H 2.000 . 4.000 2.966 2.762 3.133 . 0 0 "[ . 1]" 1
286 1 47 GLY HA2 1 48 ARG H 2.000 . 4.000 2.208 2.140 2.282 . 0 0 "[ . 1]" 1
287 1 48 ARG H 1 48 ARG HB3 2.000 . 4.000 3.134 2.936 3.398 . 0 0 "[ . 1]" 1
288 1 48 ARG H 1 48 ARG HB2 2.000 . 4.000 3.614 2.392 3.800 . 0 0 "[ . 1]" 1
289 1 48 ARG H 1 48 ARG QG 2.000 . 5.000 2.205 1.866 3.686 . 0 0 "[ . 1]" 1
290 1 48 ARG HA 1 48 ARG QG 2.000 . 5.000 3.196 2.098 3.366 . 0 0 "[ . 1]" 1
291 1 48 ARG H 1 79 ASP HA 2.000 . 4.000 2.670 2.551 2.773 . 0 0 "[ . 1]" 1
292 1 48 ARG HA 1 79 ASP HA 2.000 . 5.000 5.120 5.095 5.148 0.148 4 0 "[ . 1]" 1
293 1 48 ARG HA 1 49 ILE H 2.000 . 3.000 2.246 2.178 2.318 . 0 0 "[ . 1]" 1
294 1 49 ILE H 1 49 ILE HB 2.000 . 4.000 2.883 2.278 3.852 . 0 0 "[ . 1]" 1
295 1 49 ILE H 1 49 ILE MG 2.000 . 4.000 3.118 2.905 3.302 . 0 0 "[ . 1]" 1
296 1 49 ILE HA 1 49 ILE MG 2.000 . 4.000 2.762 2.196 3.039 . 0 0 "[ . 1]" 1
297 1 48 ARG HB3 1 49 ILE H 2.000 . 4.000 3.907 2.855 4.037 0.037 2 0 "[ . 1]" 1
298 1 48 ARG HB2 1 49 ILE H 2.000 . 4.000 3.086 2.804 4.079 0.079 6 0 "[ . 1]" 1
299 1 49 ILE HA 1 80 ILE H 2.000 . 4.000 4.031 3.938 4.078 0.078 4 0 "[ . 1]" 1
300 1 52 ARG H 1 52 ARG HB3 2.000 . 4.000 3.375 2.733 3.628 . 0 0 "[ . 1]" 1
301 1 52 ARG H 1 52 ARG HB2 2.000 . 4.000 2.287 2.117 2.606 . 0 0 "[ . 1]" 1
302 1 52 ARG H 1 52 ARG QG 2.000 . 5.000 3.089 2.056 4.085 . 0 0 "[ . 1]" 1
303 1 52 ARG HA 1 52 ARG QG 2.000 . 5.000 2.244 2.072 2.608 . 0 0 "[ . 1]" 1
304 1 52 ARG HA 1 53 LEU H 2.000 . 4.000 3.566 3.545 3.590 . 0 0 "[ . 1]" 1
305 1 53 LEU H 1 53 LEU HB3 2.000 . 4.000 3.399 2.460 3.632 . 0 0 "[ . 1]" 1
306 1 53 LEU H 1 53 LEU HB2 2.000 . 4.000 2.285 2.093 2.655 . 0 0 "[ . 1]" 1
307 1 53 LEU H 1 53 LEU MD1 2.000 . 5.000 3.157 2.160 4.128 . 0 0 "[ . 1]" 1
308 1 53 LEU H 1 53 LEU MD2 2.000 . 5.000 3.797 2.328 4.213 . 0 0 "[ . 1]" 1
309 1 53 LEU HA 1 53 LEU MD1 2.000 . 5.000 3.088 1.877 3.777 . 0 0 "[ . 1]" 1
310 1 53 LEU HA 1 53 LEU MD2 2.000 . 5.000 2.860 1.829 3.855 . 0 0 "[ . 1]" 1
311 1 53 LEU HA 1 54 LYS H 2.000 . 4.000 3.561 3.546 3.587 . 0 0 "[ . 1]" 1
312 1 53 LEU HB3 1 54 LYS H 2.000 . 4.000 3.281 2.565 3.728 . 0 0 "[ . 1]" 1
313 1 53 LEU HB2 1 54 LYS H 2.000 . 4.000 3.014 2.483 3.895 . 0 0 "[ . 1]" 1
314 1 54 LYS H 1 54 LYS HB3 2.000 . 4.000 3.240 2.854 3.619 . 0 0 "[ . 1]" 1
315 1 54 LYS H 1 54 LYS HB2 2.000 . 4.000 2.222 2.084 2.465 . 0 0 "[ . 1]" 1
316 1 53 LEU H 1 54 LYS H 2.000 . 4.000 2.737 2.649 2.899 . 0 0 "[ . 1]" 1
317 1 54 LYS HA 1 55 ASN H 2.000 . 4.000 3.557 3.507 3.591 . 0 0 "[ . 1]" 1
318 1 54 LYS HB3 1 55 ASN H 2.000 . 4.000 3.012 2.440 3.629 . 0 0 "[ . 1]" 1
319 1 54 LYS HB2 1 55 ASN H 2.000 . 4.000 3.294 2.420 3.703 . 0 0 "[ . 1]" 1
320 1 55 ASN H 1 55 ASN HB3 2.000 . 4.000 3.321 2.688 3.630 . 0 0 "[ . 1]" 1
321 1 55 ASN H 1 55 ASN HB2 2.000 . 4.000 2.445 2.138 3.685 . 0 0 "[ . 1]" 1
322 1 55 ASN HA 1 56 ARG H 2.000 . 4.000 3.485 3.289 3.567 . 0 0 "[ . 1]" 1
323 1 56 ARG H 1 56 ARG HB3 2.000 . 4.000 3.116 2.610 3.665 . 0 0 "[ . 1]" 1
324 1 56 ARG H 1 56 ARG HB2 2.000 . 4.000 2.372 2.120 2.675 . 0 0 "[ . 1]" 1
325 1 55 ASN HB3 1 56 ARG H 2.000 . 4.000 3.603 2.772 4.036 0.036 4 0 "[ . 1]" 1
326 1 55 ASN HB2 1 56 ARG H 2.000 . 4.000 3.369 2.670 4.008 0.008 1 0 "[ . 1]" 1
327 1 56 ARG HA 1 57 ILE H 2.000 . 4.000 3.503 3.062 3.604 . 0 0 "[ . 1]" 1
328 1 57 ILE H 1 57 ILE HB 2.000 . 4.000 3.243 2.365 3.853 . 0 0 "[ . 1]" 1
329 1 57 ILE H 1 57 ILE MG 2.000 . 4.000 2.361 1.973 3.001 . 0 0 "[ . 1]" 1
330 1 56 ARG HB3 1 57 ILE H 2.000 . 4.000 2.865 2.096 4.023 0.023 5 0 "[ . 1]" 1
331 1 56 ARG HB2 1 57 ILE H 2.000 . 5.000 3.386 2.401 4.515 . 0 0 "[ . 1]" 1
332 1 56 ARG QG 1 57 ILE H 2.000 . 5.000 4.150 3.337 4.511 . 0 0 "[ . 1]" 1
333 1 57 ILE HA 1 57 ILE MG 2.000 . 4.000 2.838 2.248 3.210 . 0 0 "[ . 1]" 1
334 1 58 TRP H 1 58 TRP HB3 2.000 . 4.000 3.407 3.059 4.037 0.037 1 0 "[ . 1]" 1
335 1 58 TRP H 1 58 TRP HB2 2.000 . 4.000 2.918 2.385 3.318 . 0 0 "[ . 1]" 1
336 1 58 TRP HA 1 58 TRP HB3 2.000 . 3.000 2.860 2.570 3.017 0.017 2 0 "[ . 1]" 1
337 1 58 TRP HA 1 58 TRP HB2 2.000 . 3.000 2.797 2.592 3.024 0.024 3 0 "[ . 1]" 1
338 1 58 TRP HB3 1 58 TRP HD1 2.000 . 4.000 3.001 2.582 3.852 . 0 0 "[ . 1]" 1
339 1 58 TRP HB2 1 58 TRP HD1 2.000 . 4.000 3.668 2.745 3.879 . 0 0 "[ . 1]" 1
340 1 58 TRP HA 1 58 TRP HD1 2.000 . 4.000 3.082 1.897 4.015 0.015 10 0 "[ . 1]" 1
341 1 57 ILE HA 1 58 TRP H 2.000 . 4.000 2.419 2.166 3.597 . 0 0 "[ . 1]" 1
342 1 57 ILE HB 1 58 TRP H 2.000 . 4.000 3.658 2.793 4.059 0.059 5 0 "[ . 1]" 1
343 1 58 TRP H 1 58 TRP QB 2.000 . 6.000 2.720 2.333 3.131 . 0 0 "[ . 1]" 1
344 1 58 TRP HA 1 59 VAL H 2.000 . 4.000 2.775 2.187 3.596 . 0 0 "[ . 1]" 1
345 1 59 VAL H 1 59 VAL MG1 2.000 . 4.000 2.653 2.190 3.334 . 0 0 "[ . 1]" 1
346 1 59 VAL H 1 59 VAL MG2 2.000 . 4.000 2.141 1.875 3.265 . 0 0 "[ . 1]" 1
347 1 59 VAL HA 1 59 VAL MG1 2.000 . 4.000 2.359 2.174 2.878 . 0 0 "[ . 1]" 1
348 1 59 VAL HA 1 59 VAL MG2 2.000 . 4.000 3.093 2.138 3.210 . 0 0 "[ . 1]" 1
349 1 59 VAL HA 1 60 ARG H 2.000 . 4.000 2.585 2.204 3.606 . 0 0 "[ . 1]" 1
350 1 60 ARG H 1 60 ARG HB3 2.000 . 4.000 3.244 2.645 3.695 . 0 0 "[ . 1]" 1
351 1 60 ARG H 1 60 ARG HB2 2.000 . 4.000 2.635 2.156 3.760 . 0 0 "[ . 1]" 1
352 1 60 ARG HA 1 61 GLU H 2.000 . 4.000 3.162 2.298 3.603 . 0 0 "[ . 1]" 1
353 1 61 GLU H 1 61 GLU HB3 2.000 . 4.000 3.536 2.603 3.802 . 0 0 "[ . 1]" 1
354 1 61 GLU H 1 61 GLU HB2 2.000 . 4.000 3.139 2.357 4.023 0.023 7 0 "[ . 1]" 1
355 1 60 ARG HB3 1 61 GLU H 2.000 . 4.000 2.632 2.010 3.487 . 0 0 "[ . 1]" 1
356 1 60 ARG HB2 1 61 GLU H 2.000 . 4.000 3.209 1.906 4.006 0.006 2 0 "[ . 1]" 1
357 1 62 GLY H 1 63 ASP H 2.000 . 3.000 2.850 2.644 3.087 0.087 9 0 "[ . 1]" 1
358 1 62 GLY HA3 1 63 ASP H 2.000 . 4.000 3.550 3.479 3.594 . 0 0 "[ . 1]" 1
359 1 62 GLY HA2 1 63 ASP H 2.000 . 4.000 2.409 2.266 2.546 . 0 0 "[ . 1]" 1
360 1 63 ASP H 1 63 ASP HB3 2.000 . 4.000 3.429 2.865 3.900 . 0 0 "[ . 1]" 1
361 1 63 ASP H 1 63 ASP HB2 2.000 . 4.000 2.611 2.250 2.958 . 0 0 "[ . 1]" 1
362 1 63 ASP HA 1 63 ASP HB3 2.000 . 3.000 2.760 2.369 3.017 0.017 7 0 "[ . 1]" 1
363 1 63 ASP HA 1 63 ASP HB2 2.000 . 3.000 2.879 2.590 3.030 0.030 8 0 "[ . 1]" 1
364 1 64 VAL H 1 64 VAL MG1 2.000 . 5.000 2.937 1.750 3.905 . 0 0 "[ . 1]" 1
365 1 64 VAL H 1 64 VAL MG2 2.000 . 5.000 2.726 1.917 3.837 . 0 0 "[ . 1]" 1
366 1 64 VAL HA 1 64 VAL MG1 2.000 . 4.000 2.564 2.079 3.212 . 0 0 "[ . 1]" 1
367 1 64 VAL HA 1 64 VAL MG2 2.000 . 4.000 2.664 2.364 3.188 . 0 0 "[ . 1]" 1
368 1 64 VAL HB 1 64 VAL MG1 2.000 . 4.000 2.142 2.132 2.150 . 0 0 "[ . 1]" 1
369 1 64 VAL HB 1 64 VAL MG2 2.000 . 4.000 2.144 2.127 2.154 . 0 0 "[ . 1]" 1
370 1 64 VAL HA 1 64 VAL QG 2.000 . 4.000 2.190 2.030 2.446 . 0 0 "[ . 1]" 1
371 1 64 VAL QG 1 92 LEU QD 2.000 . 7.000 2.984 1.794 3.454 . 0 0 "[ . 1]" 1
372 1 63 ASP HA 1 64 VAL H 2.000 . 4.000 2.472 2.458 2.486 . 0 0 "[ . 1]" 1
373 1 64 VAL HA 1 89 VAL QG 2.000 . 6.000 3.299 2.143 3.843 . 0 0 "[ . 1]" 1
374 1 64 VAL HA 1 65 VAL H 2.000 . 3.000 2.217 2.180 2.255 . 0 0 "[ . 1]" 1
375 1 64 VAL HB 1 65 VAL H 2.000 . 4.000 3.674 2.759 4.070 0.070 5 0 "[ . 1]" 1
376 1 64 VAL QG 1 65 VAL H 2.000 . 4.000 2.528 2.287 3.291 . 0 0 "[ . 1]" 1
377 1 65 VAL H 1 65 VAL MG1 2.000 . 5.000 3.004 2.780 3.315 . 0 0 "[ . 1]" 1
378 1 65 VAL H 1 65 VAL MG2 2.000 . 5.000 2.606 2.171 3.950 . 0 0 "[ . 1]" 1
379 1 65 VAL HA 1 65 VAL MG1 2.000 . 4.000 2.477 2.258 3.115 . 0 0 "[ . 1]" 1
380 1 65 VAL HA 1 65 VAL MG2 2.000 . 4.000 2.993 2.133 3.211 . 0 0 "[ . 1]" 1
381 1 65 VAL HB 1 65 VAL MG1 2.000 . 4.000 2.126 2.101 2.147 . 0 0 "[ . 1]" 1
382 1 65 VAL HB 1 65 VAL MG2 2.000 . 4.000 2.148 2.141 2.153 . 0 0 "[ . 1]" 1
383 1 65 VAL HA 1 66 ILE H 2.000 . 3.000 2.292 2.219 2.353 . 0 0 "[ . 1]" 1
384 1 65 VAL HB 1 66 ILE H 2.000 . 5.000 3.023 2.575 4.385 . 0 0 "[ . 1]" 1
385 1 66 ILE HA 1 92 LEU QD 2.000 . 5.000 3.277 2.136 3.769 . 0 0 "[ . 1]" 1
386 1 66 ILE H 1 66 ILE MG 2.000 . 4.000 2.263 1.978 2.777 . 0 0 "[ . 1]" 1
387 1 23 LEU HA 1 66 ILE HB 2.000 . 5.000 4.775 4.141 5.044 0.044 9 0 "[ . 1]" 1
388 1 23 LEU HB3 1 66 ILE HA 2.000 . 5.000 4.621 3.676 5.053 0.053 6 0 "[ . 1]" 1
389 1 23 LEU HB2 1 66 ILE HA 2.000 . 5.000 4.713 3.593 5.032 0.032 7 0 "[ . 1]" 1
390 1 66 ILE HA 1 67 VAL H 2.000 . 3.000 2.353 2.297 2.418 . 0 0 "[ . 1]" 1
391 1 67 VAL H 1 68 LYS H 2.000 . 5.000 4.497 4.475 4.517 . 0 0 "[ . 1]" 1
392 1 67 VAL H 1 67 VAL MG1 2.000 . 4.000 2.318 1.938 2.448 . 0 0 "[ . 1]" 1
393 1 67 VAL H 1 67 VAL MG2 2.000 . 4.000 2.745 2.345 3.128 . 0 0 "[ . 1]" 1
394 1 67 VAL H 1 67 VAL HB 2.000 . 4.000 3.861 3.723 3.924 . 0 0 "[ . 1]" 1
395 1 67 VAL HA 1 67 VAL MG1 2.000 . 4.000 2.685 2.491 2.917 . 0 0 "[ . 1]" 1
396 1 67 VAL HA 1 67 VAL MG2 2.000 . 4.000 3.105 3.004 3.169 . 0 0 "[ . 1]" 1
397 1 67 VAL HB 1 67 VAL MG1 2.000 . 4.000 2.137 2.124 2.147 . 0 0 "[ . 1]" 1
398 1 67 VAL HB 1 67 VAL MG2 2.000 . 4.000 2.142 2.130 2.152 . 0 0 "[ . 1]" 1
399 1 68 LYS H 1 68 LYS HB3 2.000 . 4.000 3.214 2.313 3.728 . 0 0 "[ . 1]" 1
400 1 68 LYS H 1 68 LYS HB2 2.000 . 4.000 2.666 2.275 3.742 . 0 0 "[ . 1]" 1
401 1 67 VAL HA 1 68 LYS H 2.000 . 3.000 2.215 2.175 2.267 . 0 0 "[ . 1]" 1
402 1 67 VAL QG 1 68 LYS H 2.000 . 4.000 2.773 2.463 3.053 . 0 0 "[ . 1]" 1
403 1 67 VAL HB 1 68 LYS H 2.000 . 4.000 2.785 2.623 3.142 . 0 0 "[ . 1]" 1
404 1 68 LYS HA 1 79 ASP H 2.000 . 4.000 4.220 4.153 4.317 0.317 8 0 "[ . 1]" 1
405 1 68 LYS H 1 79 ASP H 2.000 . 4.000 2.097 2.038 2.252 . 0 0 "[ . 1]" 1
406 1 68 LYS H 1 80 ILE HA 2.000 . 4.000 3.951 3.612 4.091 0.091 5 0 "[ . 1]" 1
407 1 68 LYS HA 1 69 PRO QD 2.000 . 4.000 1.850 1.791 1.872 . 0 0 "[ . 1]" 1
408 1 69 PRO HA 1 78 CYS HA 2.000 . 4.000 3.649 3.571 3.724 . 0 0 "[ . 1]" 1
409 1 69 PRO HA 1 70 TRP H 2.000 . 4.000 2.182 2.144 2.211 . 0 0 "[ . 1]" 1
410 1 70 TRP H 1 78 CYS HA 2.000 . 4.000 3.828 3.670 3.898 . 0 0 "[ . 1]" 1
411 1 70 TRP H 1 70 TRP HB3 2.000 . 4.000 3.726 3.702 3.744 . 0 0 "[ . 1]" 1
412 1 70 TRP H 1 70 TRP HB2 2.000 . 4.000 2.532 2.491 2.555 . 0 0 "[ . 1]" 1
413 1 70 TRP HA 1 70 TRP HB3 2.000 . 3.000 2.549 2.532 2.562 . 0 0 "[ . 1]" 1
414 1 70 TRP HA 1 70 TRP HB2 2.000 . 3.000 3.009 3.005 3.013 0.013 8 0 "[ . 1]" 1
415 1 70 TRP HB3 1 70 TRP HD1 2.000 . 4.000 3.756 3.752 3.761 . 0 0 "[ . 1]" 1
416 1 70 TRP HB2 1 70 TRP HD1 2.000 . 4.000 3.007 2.960 3.077 . 0 0 "[ . 1]" 1
417 1 70 TRP HA 1 70 TRP HD1 2.000 . 4.000 2.794 2.743 2.824 . 0 0 "[ . 1]" 1
418 1 69 PRO HA 1 70 TRP HD1 2.000 . 5.000 3.087 3.051 3.133 . 0 0 "[ . 1]" 1
419 1 70 TRP HD1 1 79 ASP HA 2.000 . 6.000 5.968 5.871 6.031 0.031 7 0 "[ . 1]" 1
420 1 70 TRP HD1 1 77 LYS HA 2.000 . 6.000 5.338 5.260 5.421 . 0 0 "[ . 1]" 1
421 1 70 TRP HE1 1 79 ASP HA 2.000 . 4.000 4.000 3.890 4.093 0.093 7 0 "[ . 1]" 1
422 1 70 TRP HE1 1 78 CYS HA 2.000 . 4.000 2.750 2.605 2.868 . 0 0 "[ . 1]" 1
423 1 69 PRO HA 1 70 TRP HE1 2.000 . 6.000 5.181 5.134 5.232 . 0 0 "[ . 1]" 1
424 1 70 TRP HE1 1 79 ASP HB3 2.000 . 6.000 3.724 3.137 4.155 . 0 0 "[ . 1]" 1
425 1 70 TRP HE1 1 79 ASP HB2 2.000 . 6.000 2.901 2.347 4.517 . 0 0 "[ . 1]" 1
426 1 70 TRP HE1 1 80 ILE H 2.000 . 6.000 6.056 6.037 6.072 0.072 8 0 "[ . 1]" 1
427 1 70 TRP HE1 1 79 ASP H 2.000 . 6.000 2.598 2.474 2.689 . 0 0 "[ . 1]" 1
428 1 70 TRP H 1 70 TRP HE1 2.000 . 6.000 5.029 4.937 5.098 . 0 0 "[ . 1]" 1
429 1 70 TRP HE1 1 77 LYS HA 2.000 . 6.000 6.202 6.185 6.224 0.224 10 0 "[ . 1]" 1
430 1 68 LYS HB3 1 70 TRP HE1 2.000 . 6.000 3.437 2.565 4.510 . 0 0 "[ . 1]" 1
431 1 68 LYS HB2 1 70 TRP HE1 2.000 . 6.000 3.724 2.744 4.796 . 0 0 "[ . 1]" 1
432 1 70 TRP HZ2 1 78 CYS HA 2.000 . 5.000 4.983 4.874 5.031 0.031 3 0 "[ . 1]" 1
433 1 70 TRP HZ2 1 79 ASP HB3 2.000 . 6.000 4.107 2.384 4.754 . 0 0 "[ . 1]" 1
434 1 70 TRP HZ2 1 79 ASP HB2 2.000 . 6.000 3.170 2.679 4.207 . 0 0 "[ . 1]" 1
435 1 71 GLU H 1 71 GLU HB3 2.000 . 4.000 3.495 2.798 4.028 0.028 8 0 "[ . 1]" 1
436 1 71 GLU H 1 71 GLU HB2 2.000 . 4.000 3.377 2.702 3.647 . 0 0 "[ . 1]" 1
437 1 71 GLU H 1 71 GLU QG 2.000 . 5.000 2.525 1.982 4.008 . 0 0 "[ . 1]" 1
438 1 71 GLU HA 1 71 GLU QG 2.000 . 5.000 2.744 2.121 3.364 . 0 0 "[ . 1]" 1
439 1 70 TRP HA 1 71 GLU H 2.000 . 4.000 2.359 2.324 2.432 . 0 0 "[ . 1]" 1
440 1 72 VAL H 1 72 VAL MG1 2.000 . 5.000 3.029 2.152 3.983 . 0 0 "[ . 1]" 1
441 1 72 VAL H 1 72 VAL MG2 2.000 . 5.000 3.555 2.191 4.004 . 0 0 "[ . 1]" 1
442 1 71 GLU HA 1 72 VAL H 2.000 . 4.000 2.580 2.169 3.048 . 0 0 "[ . 1]" 1
443 1 71 GLU HB3 1 72 VAL H 2.000 . 4.000 2.914 1.841 4.051 0.051 5 0 "[ . 1]" 1
444 1 71 GLU HB2 1 72 VAL H 2.000 . 4.000 3.188 2.563 4.048 0.048 6 0 "[ . 1]" 1
445 1 71 GLU QG 1 72 VAL H 2.000 . 6.000 3.830 2.407 4.526 . 0 0 "[ . 1]" 1
446 1 72 VAL HA 1 72 VAL MG1 2.000 . 5.000 2.835 2.168 3.189 . 0 0 "[ . 1]" 1
447 1 72 VAL HA 1 72 VAL MG2 2.000 . 5.000 2.488 2.258 3.125 . 0 0 "[ . 1]" 1
448 1 72 VAL HB 1 72 VAL MG1 2.000 . 4.000 2.122 2.103 2.146 . 0 0 "[ . 1]" 1
449 1 72 VAL HB 1 72 VAL MG2 2.000 . 4.000 2.143 2.123 2.150 . 0 0 "[ . 1]" 1
450 1 73 GLN H 1 73 GLN HB3 2.000 . 4.000 3.240 2.583 4.020 0.020 1 0 "[ . 1]" 1
451 1 73 GLN H 1 73 GLN HB2 2.000 . 4.000 3.410 2.523 3.687 . 0 0 "[ . 1]" 1
452 1 73 GLN H 1 73 GLN QG 2.000 . 5.000 2.229 2.010 2.550 . 0 0 "[ . 1]" 1
453 1 72 VAL HA 1 73 GLN H 2.000 . 4.000 2.881 2.179 3.585 . 0 0 "[ . 1]" 1
454 1 72 VAL HB 1 73 GLN H 2.000 . 5.000 3.344 1.908 4.417 . 0 0 "[ . 1]" 1
455 1 72 VAL MG1 1 73 GLN H 2.000 . 6.000 3.402 1.815 4.291 . 0 0 "[ . 1]" 1
456 1 72 VAL MG2 1 73 GLN H 2.000 . 6.000 3.063 1.975 3.654 . 0 0 "[ . 1]" 1
457 1 73 GLN HA 1 73 GLN QG 2.000 . 5.000 2.861 2.213 3.319 . 0 0 "[ . 1]" 1
458 1 73 GLN HA 1 74 GLY H 2.000 . 4.000 2.442 2.166 2.971 . 0 0 "[ . 1]" 1
459 1 73 GLN HB3 1 74 GLY H 2.000 . 4.000 3.178 1.902 4.046 0.046 2 0 "[ . 1]" 1
460 1 73 GLN HB2 1 74 GLY H 2.000 . 4.000 3.096 2.573 4.027 0.027 8 0 "[ . 1]" 1
461 1 73 GLN QG 1 74 GLY H 2.000 . 5.000 3.988 3.824 4.214 . 0 0 "[ . 1]" 1
462 1 75 ASP H 1 75 ASP HB3 2.000 . 4.000 3.541 3.107 3.786 . 0 0 "[ . 1]" 1
463 1 75 ASP H 1 75 ASP HB2 2.000 . 4.000 3.741 3.077 4.087 0.087 8 0 "[ . 1]" 1
464 1 74 GLY HA3 1 75 ASP H 2.000 . 5.000 2.970 2.598 3.491 . 0 0 "[ . 1]" 1
465 1 74 GLY HA2 1 75 ASP H 2.000 . 5.000 3.436 3.028 3.589 . 0 0 "[ . 1]" 1
466 1 75 ASP HA 1 76 GLN H 2.000 . 4.000 2.451 2.266 2.663 . 0 0 "[ . 1]" 1
467 1 75 ASP HB3 1 76 GLN H 2.000 . 4.000 3.702 2.712 4.035 0.035 1 0 "[ . 1]" 1
468 1 75 ASP HB2 1 76 GLN H 2.000 . 4.000 3.312 2.510 4.058 0.058 10 0 "[ . 1]" 1
469 1 76 GLN H 1 77 LYS H 2.000 . 5.000 4.580 4.517 4.626 . 0 0 "[ . 1]" 1
470 1 76 GLN HA 1 77 LYS H 2.000 . 4.000 2.289 2.247 2.346 . 0 0 "[ . 1]" 1
471 1 76 GLN HB3 1 77 LYS H 2.000 . 4.000 3.086 2.664 3.899 . 0 0 "[ . 1]" 1
472 1 76 GLN HB2 1 77 LYS H 2.000 . 4.000 3.826 2.496 4.074 0.074 4 0 "[ . 1]" 1
473 1 77 LYS H 1 77 LYS HB3 2.000 . 4.000 3.402 2.757 3.710 . 0 0 "[ . 1]" 1
474 1 77 LYS H 1 77 LYS HB2 2.000 . 4.000 2.477 2.311 2.787 . 0 0 "[ . 1]" 1
475 1 77 LYS HA 1 78 CYS H 2.000 . 3.000 2.409 2.372 2.466 . 0 0 "[ . 1]" 1
476 1 47 GLY HA3 1 78 CYS H 2.000 . 5.000 4.599 3.987 4.924 . 0 0 "[ . 1]" 1
477 1 47 GLY HA2 1 78 CYS H 2.000 . 5.000 2.930 2.424 3.247 . 0 0 "[ . 1]" 1
478 1 78 CYS HA 1 79 ASP HB3 2.000 . 6.000 5.049 4.504 5.288 . 0 0 "[ . 1]" 1
479 1 78 CYS HA 1 79 ASP HB2 2.000 . 6.000 4.646 4.232 5.845 . 0 0 "[ . 1]" 1
480 1 78 CYS H 1 78 CYS HB3 2.000 . 4.000 3.235 2.847 3.428 . 0 0 "[ . 1]" 1
481 1 78 CYS H 1 78 CYS HB2 2.000 . 4.000 3.939 3.898 3.972 . 0 0 "[ . 1]" 1
482 1 78 CYS HA 1 78 CYS HB3 2.000 . 3.000 2.507 2.396 2.776 . 0 0 "[ . 1]" 1
483 1 78 CYS HA 1 78 CYS HB2 2.000 . 3.000 2.416 2.241 2.516 . 0 0 "[ . 1]" 1
484 1 69 PRO HB3 1 78 CYS HA 2.000 . 6.000 5.877 5.816 5.937 . 0 0 "[ . 1]" 1
485 1 69 PRO HB2 1 78 CYS HA 2.000 . 6.000 6.058 6.021 6.104 0.104 9 0 "[ . 1]" 1
486 1 69 PRO HA 1 78 CYS HB3 2.000 . 5.000 3.944 3.702 4.467 . 0 0 "[ . 1]" 1
487 1 69 PRO HA 1 78 CYS HB2 2.000 . 5.000 4.336 3.554 4.609 . 0 0 "[ . 1]" 1
488 1 78 CYS HA 1 79 ASP H 2.000 . 3.000 2.294 2.260 2.348 . 0 0 "[ . 1]" 1
489 1 78 CYS HB3 1 79 ASP H 2.000 . 4.000 3.945 3.827 4.067 0.067 7 0 "[ . 1]" 1
490 1 78 CYS HB2 1 79 ASP H 2.000 . 4.000 2.723 2.631 2.946 . 0 0 "[ . 1]" 1
491 1 79 ASP H 1 79 ASP HB3 2.000 . 4.000 3.017 2.399 3.473 . 0 0 "[ . 1]" 1
492 1 79 ASP H 1 79 ASP HB2 2.000 . 4.000 2.901 2.454 3.859 . 0 0 "[ . 1]" 1
493 1 67 VAL HA 1 79 ASP H 2.000 . 5.000 3.911 3.823 4.070 . 0 0 "[ . 1]" 1
494 1 79 ASP HA 1 80 ILE H 2.000 . 3.000 2.237 2.209 2.278 . 0 0 "[ . 1]" 1
495 1 79 ASP HB3 1 80 ILE H 2.000 . 5.000 4.121 3.952 4.494 . 0 0 "[ . 1]" 1
496 1 79 ASP HB2 1 80 ILE H 2.000 . 5.000 4.363 3.551 4.627 . 0 0 "[ . 1]" 1
497 1 80 ILE H 1 80 ILE MG 2.000 . 4.000 3.028 2.761 3.289 . 0 0 "[ . 1]" 1
498 1 80 ILE HA 1 80 ILE MG 2.000 . 4.000 2.311 2.022 2.935 . 0 0 "[ . 1]" 1
499 1 67 VAL HB 1 80 ILE HA 2.000 . 5.000 3.742 2.945 4.151 . 0 0 "[ . 1]" 1
500 1 67 VAL HA 1 80 ILE HB 2.000 . 5.000 4.408 3.957 4.867 . 0 0 "[ . 1]" 1
501 1 67 VAL HA 1 81 ILE H 2.000 . 4.000 4.033 3.939 4.078 0.078 9 0 "[ . 1]" 1
502 1 80 ILE HA 1 81 ILE H 2.000 . 3.000 2.174 2.131 2.237 . 0 0 "[ . 1]" 1
503 1 80 ILE HB 1 81 ILE H 2.000 . 5.000 2.838 2.228 4.352 . 0 0 "[ . 1]" 1
504 1 80 ILE MG 1 81 ILE H 2.000 . 4.000 3.156 2.530 3.415 . 0 0 "[ . 1]" 1
505 1 81 ILE H 1 81 ILE MG 2.000 . 4.000 2.943 2.140 3.324 . 0 0 "[ . 1]" 1
506 1 81 ILE HA 1 81 ILE MG 2.000 . 4.000 2.640 2.226 3.210 . 0 0 "[ . 1]" 1
507 1 81 ILE HB 1 82 TRP H 2.000 . 5.000 4.011 3.297 4.571 . 0 0 "[ . 1]" 1
508 1 81 ILE MG 1 82 TRP H 2.000 . 5.000 3.665 2.913 4.158 . 0 0 "[ . 1]" 1
509 1 82 TRP H 1 82 TRP HB3 2.000 . 4.000 2.497 2.203 3.231 . 0 0 "[ . 1]" 1
510 1 82 TRP H 1 82 TRP HB2 2.000 . 4.000 3.483 3.142 3.730 . 0 0 "[ . 1]" 1
511 1 82 TRP HA 1 82 TRP HB3 2.000 . 3.000 2.724 2.314 2.990 . 0 0 "[ . 1]" 1
512 1 82 TRP HA 1 82 TRP HB2 2.000 . 3.000 2.349 2.239 2.620 . 0 0 "[ . 1]" 1
513 1 82 TRP HB3 1 82 TRP HD1 2.000 . 4.000 3.594 2.623 3.889 . 0 0 "[ . 1]" 1
514 1 82 TRP HB2 1 82 TRP HD1 2.000 . 4.000 2.997 2.542 3.866 . 0 0 "[ . 1]" 1
515 1 82 TRP HA 1 82 TRP HD1 2.000 . 4.000 3.723 3.052 4.058 0.058 4 0 "[ . 1]" 1
516 1 84 TYR H 1 84 TYR HB3 2.000 . 4.000 3.549 2.645 4.039 0.039 4 0 "[ . 1]" 1
517 1 84 TYR H 1 84 TYR HB2 2.000 . 4.000 3.260 2.578 3.839 . 0 0 "[ . 1]" 1
518 1 84 TYR HA 1 84 TYR HB3 2.000 . 3.000 2.663 2.324 3.025 0.025 1 0 "[ . 1]" 1
519 1 84 TYR HA 1 84 TYR HB2 2.000 . 3.000 2.853 2.524 3.026 0.026 2 0 "[ . 1]" 1
520 1 85 THR H 1 85 THR HB 2.000 . 4.000 3.332 2.437 3.842 . 0 0 "[ . 1]" 1
521 1 85 THR H 1 85 THR HG1 2.000 . 4.000 2.388 2.063 2.910 . 0 0 "[ . 1]" 1
522 1 85 THR HA 1 85 THR HG1 2.000 . 4.000 2.431 2.157 2.662 . 0 0 "[ . 1]" 1
523 1 87 THR H 1 87 THR HB 2.000 . 4.000 3.470 2.813 3.892 . 0 0 "[ . 1]" 1
524 1 87 THR H 1 87 THR HG1 2.000 . 4.000 2.597 1.904 2.942 . 0 0 "[ . 1]" 1
525 1 87 THR HA 1 87 THR HG1 2.000 . 4.000 2.251 1.996 2.772 . 0 0 "[ . 1]" 1
526 1 88 GLN H 1 89 VAL H 2.000 . 3.000 2.351 1.887 3.011 0.011 7 0 "[ . 1]" 1
527 1 87 THR HA 1 88 GLN H 2.000 . 4.000 2.637 2.174 3.572 . 0 0 "[ . 1]" 1
528 1 89 VAL H 1 90 GLU H 2.000 . 3.000 2.710 2.556 2.889 . 0 0 "[ . 1]" 1
529 1 88 GLN HA 1 89 VAL H 2.000 . 4.000 3.481 2.947 3.607 . 0 0 "[ . 1]" 1
530 1 88 GLN HB3 1 89 VAL H 2.000 . 5.000 2.981 2.014 4.322 . 0 0 "[ . 1]" 1
531 1 88 GLN HB2 1 89 VAL H 2.000 . 5.000 3.491 2.751 4.240 . 0 0 "[ . 1]" 1
532 1 89 VAL H 1 89 VAL MG1 2.000 . 5.000 3.587 2.347 3.798 . 0 0 "[ . 1]" 1
533 1 89 VAL H 1 89 VAL MG2 2.000 . 5.000 2.254 1.897 3.326 . 0 0 "[ . 1]" 1
534 1 23 LEU HA 1 89 VAL QG 2.000 . 6.000 4.189 3.655 4.448 . 0 0 "[ . 1]" 1
535 1 25 ILE HA 1 89 VAL QG 2.000 . 6.000 3.717 1.824 4.425 . 0 0 "[ . 1]" 1
536 1 25 ILE MG 1 89 VAL QG 2.000 . 7.000 2.907 1.708 4.080 . 0 0 "[ . 1]" 1
537 1 89 VAL HA 1 92 LEU QD 2.000 . 5.000 2.001 1.790 2.609 . 0 0 "[ . 1]" 1
538 1 89 VAL HA 1 89 VAL MG1 2.000 . 5.000 2.396 2.179 2.942 . 0 0 "[ . 1]" 1
539 1 89 VAL HA 1 89 VAL MG2 2.000 . 5.000 2.364 1.968 3.201 . 0 0 "[ . 1]" 1
540 1 89 VAL HB 1 89 VAL MG1 2.000 . 5.000 2.133 2.110 2.152 . 0 0 "[ . 1]" 1
541 1 89 VAL HB 1 89 VAL MG2 2.000 . 5.000 2.146 2.123 2.158 . 0 0 "[ . 1]" 1
542 1 90 GLU H 1 91 TRP H 2.000 . 4.000 2.750 2.631 2.901 . 0 0 "[ . 1]" 1
543 1 90 GLU H 1 90 GLU HB3 2.000 . 4.000 3.249 2.628 3.630 . 0 0 "[ . 1]" 1
544 1 90 GLU H 1 90 GLU HB2 2.000 . 4.000 2.468 2.159 3.652 . 0 0 "[ . 1]" 1
545 1 90 GLU H 1 90 GLU HG3 2.000 . 5.000 3.319 2.348 4.487 . 0 0 "[ . 1]" 1
546 1 90 GLU H 1 90 GLU HG2 2.000 . 5.000 3.769 2.091 4.716 . 0 0 "[ . 1]" 1
547 1 89 VAL HA 1 90 GLU H 2.000 . 4.000 3.550 3.532 3.566 . 0 0 "[ . 1]" 1
548 1 89 VAL HB 1 90 GLU H 2.000 . 5.000 2.932 2.682 3.698 . 0 0 "[ . 1]" 1
549 1 89 VAL MG1 1 90 GLU H 2.000 . 6.000 3.520 2.546 4.084 . 0 0 "[ . 1]" 1
550 1 89 VAL MG2 1 90 GLU H 2.000 . 6.000 3.782 2.049 4.287 . 0 0 "[ . 1]" 1
551 1 90 GLU HA 1 90 GLU HG3 2.000 . 5.000 2.822 2.156 3.679 . 0 0 "[ . 1]" 1
552 1 90 GLU HA 1 90 GLU HG2 2.000 . 5.000 2.854 2.261 3.776 . 0 0 "[ . 1]" 1
553 1 91 TRP H 1 92 LEU H 2.000 . 4.000 2.770 2.641 2.883 . 0 0 "[ . 1]" 1
554 1 91 TRP H 1 91 TRP HB3 2.000 . 4.000 2.869 2.149 3.478 . 0 0 "[ . 1]" 1
555 1 91 TRP H 1 91 TRP HB2 2.000 . 4.000 2.408 2.080 3.065 . 0 0 "[ . 1]" 1
556 1 90 GLU HA 1 91 TRP H 2.000 . 4.000 3.565 3.538 3.595 . 0 0 "[ . 1]" 1
557 1 90 GLU HB3 1 91 TRP H 2.000 . 5.000 3.194 2.542 4.016 . 0 0 "[ . 1]" 1
558 1 90 GLU HB2 1 91 TRP H 2.000 . 5.000 3.111 2.359 3.850 . 0 0 "[ . 1]" 1
559 1 91 TRP HA 1 91 TRP HB3 2.000 . 3.000 2.926 2.721 3.029 0.029 4 0 "[ . 1]" 1
560 1 91 TRP HA 1 91 TRP HB2 2.000 . 3.000 2.646 2.293 2.965 . 0 0 "[ . 1]" 1
561 1 91 TRP HB3 1 91 TRP HD1 2.000 . 4.000 3.578 2.725 3.881 . 0 0 "[ . 1]" 1
562 1 91 TRP HB2 1 91 TRP HD1 2.000 . 4.000 3.126 2.527 3.875 . 0 0 "[ . 1]" 1
563 1 91 TRP HA 1 91 TRP HD1 2.000 . 4.000 3.082 2.182 4.018 0.018 2 0 "[ . 1]" 1
564 1 12 VAL MG1 1 91 TRP HE1 2.000 . 6.000 3.423 2.228 4.883 . 0 0 "[ . 1]" 1
565 1 12 VAL MG2 1 91 TRP HE1 2.000 . 6.000 3.650 2.221 5.017 . 0 0 "[ . 1]" 1
566 1 12 VAL QG 1 91 TRP HZ2 2.000 . 6.000 2.513 1.855 3.845 . 0 0 "[ . 1]" 1
567 1 12 VAL QG 1 91 TRP HH2 2.000 . 6.000 3.634 2.401 4.280 . 0 0 "[ . 1]" 1
568 1 92 LEU H 1 93 LYS H 2.000 . 4.000 2.736 2.663 2.876 . 0 0 "[ . 1]" 1
569 1 89 VAL HA 1 92 LEU H 2.000 . 4.000 3.381 3.053 3.678 . 0 0 "[ . 1]" 1
570 1 91 TRP HA 1 92 LEU H 2.000 . 4.000 3.583 3.558 3.615 . 0 0 "[ . 1]" 1
571 1 92 LEU H 1 92 LEU HB3 2.000 . 4.000 3.284 2.754 3.623 . 0 0 "[ . 1]" 1
572 1 92 LEU H 1 92 LEU HB2 2.000 . 4.000 2.894 2.268 3.665 . 0 0 "[ . 1]" 1
573 1 91 TRP HB3 1 92 LEU H 2.000 . 5.000 2.618 2.257 3.054 . 0 0 "[ . 1]" 1
574 1 91 TRP HB2 1 92 LEU H 2.000 . 5.000 3.432 2.645 4.096 . 0 0 "[ . 1]" 1
575 1 92 LEU H 1 92 LEU MD1 2.000 . 6.000 3.085 2.269 3.489 . 0 0 "[ . 1]" 1
576 1 92 LEU H 1 92 LEU MD2 2.000 . 6.000 3.532 2.899 4.199 . 0 0 "[ . 1]" 1
577 1 23 LEU HA 1 92 LEU QD 2.000 . 6.000 3.333 2.485 4.382 . 0 0 "[ . 1]" 1
578 1 92 LEU HA 1 92 LEU MD1 2.000 . 5.000 3.711 3.251 3.864 . 0 0 "[ . 1]" 1
579 1 92 LEU HA 1 92 LEU MD2 2.000 . 5.000 3.153 2.071 4.016 . 0 0 "[ . 1]" 1
580 1 93 LYS H 1 94 ARG H 2.000 . 4.000 2.775 2.651 2.843 . 0 0 "[ . 1]" 1
581 1 92 LEU HA 1 93 LYS H 2.000 . 4.000 3.556 3.536 3.587 . 0 0 "[ . 1]" 1
582 1 93 LYS H 1 93 LYS HB3 2.000 . 4.000 3.347 2.289 3.595 . 0 0 "[ . 1]" 1
583 1 93 LYS H 1 93 LYS HB2 2.000 . 4.000 2.317 2.103 3.568 . 0 0 "[ . 1]" 1
584 1 92 LEU HB3 1 93 LYS H 2.000 . 5.000 3.791 3.507 4.161 . 0 0 "[ . 1]" 1
585 1 92 LEU HB2 1 93 LYS H 2.000 . 5.000 3.079 2.614 3.710 . 0 0 "[ . 1]" 1
586 1 90 GLU HA 1 93 LYS H 2.000 . 4.000 3.570 3.350 4.005 0.005 7 0 "[ . 1]" 1
587 1 94 ARG H 1 95 LYS H 2.000 . 4.000 2.727 2.670 2.844 . 0 0 "[ . 1]" 1
588 1 91 TRP HA 1 94 ARG H 2.000 . 4.000 3.646 3.451 3.965 . 0 0 "[ . 1]" 1
589 1 93 LYS HA 1 94 ARG H 2.000 . 4.000 3.583 3.552 3.597 . 0 0 "[ . 1]" 1
590 1 94 ARG H 1 94 ARG HB3 2.000 . 4.000 3.325 2.726 3.627 . 0 0 "[ . 1]" 1
591 1 94 ARG H 1 94 ARG HB2 2.000 . 4.000 2.272 2.093 2.546 . 0 0 "[ . 1]" 1
592 1 93 LYS HB3 1 94 ARG H 2.000 . 5.000 3.080 2.765 3.717 . 0 0 "[ . 1]" 1
593 1 93 LYS HB2 1 94 ARG H 2.000 . 5.000 2.876 2.481 3.919 . 0 0 "[ . 1]" 1
594 1 95 LYS H 1 96 GLY H 2.000 . 4.000 2.675 2.616 2.703 . 0 0 "[ . 1]" 1
595 1 92 LEU HA 1 95 LYS H 2.000 . 4.000 3.474 3.232 3.761 . 0 0 "[ . 1]" 1
596 1 94 ARG HA 1 95 LYS H 2.000 . 4.000 3.537 3.527 3.544 . 0 0 "[ . 1]" 1
597 1 95 LYS H 1 95 LYS HB3 2.000 . 4.000 3.132 2.615 3.598 . 0 0 "[ . 1]" 1
598 1 95 LYS H 1 95 LYS HB2 2.000 . 4.000 2.243 2.088 2.478 . 0 0 "[ . 1]" 1
599 1 94 ARG HB3 1 95 LYS H 2.000 . 4.000 3.124 2.611 3.652 . 0 0 "[ . 1]" 1
600 1 94 ARG HB2 1 95 LYS H 2.000 . 4.000 3.095 2.604 3.773 . 0 0 "[ . 1]" 1
601 1 96 GLY H 1 97 TYR H 2.000 . 4.000 2.687 2.603 3.002 . 0 0 "[ . 1]" 1
602 1 95 LYS HA 1 96 GLY H 2.000 . 4.000 3.551 3.493 3.565 . 0 0 "[ . 1]" 1
603 1 95 LYS HB3 1 96 GLY H 2.000 . 4.000 3.107 2.764 3.715 . 0 0 "[ . 1]" 1
604 1 95 LYS HB2 1 96 GLY H 2.000 . 4.000 3.450 2.878 3.967 . 0 0 "[ . 1]" 1
605 1 93 LYS HA 1 96 GLY H 2.000 . 4.000 3.340 3.139 3.411 . 0 0 "[ . 1]" 1
606 1 96 GLY H 1 97 TYR QE 2.000 . 5.000 4.885 4.773 4.925 . 0 0 "[ . 1]" 1
607 1 97 TYR H 1 98 LEU H 2.000 . 4.000 2.741 2.590 2.864 . 0 0 "[ . 1]" 1
608 1 94 ARG HA 1 97 TYR H 2.000 . 4.000 3.525 3.334 4.107 0.107 6 0 "[ . 1]" 1
609 1 97 TYR H 1 97 TYR HB3 2.000 . 4.000 3.548 2.941 3.622 . 0 0 "[ . 1]" 1
610 1 97 TYR H 1 97 TYR HB2 2.000 . 4.000 2.939 2.781 3.659 . 0 0 "[ . 1]" 1
611 1 96 GLY HA3 1 97 TYR H 2.000 . 4.000 2.800 2.662 2.865 . 0 0 "[ . 1]" 1
612 1 96 GLY HA2 1 97 TYR H 2.000 . 4.000 3.565 3.543 3.620 . 0 0 "[ . 1]" 1
613 1 97 TYR HA 1 97 TYR HB3 2.000 . 3.000 2.341 2.322 2.363 . 0 0 "[ . 1]" 1
614 1 97 TYR HA 1 97 TYR HB2 2.000 . 3.000 2.964 2.573 3.015 0.015 3 0 "[ . 1]" 1
615 1 97 TYR HA 1 97 TYR QD 2.000 . 4.000 2.398 2.128 3.686 . 0 0 "[ . 1]" 1
616 1 97 TYR HA 1 97 TYR QE 2.000 . 6.000 4.682 4.469 5.597 . 0 0 "[ . 1]" 1
617 1 98 LEU H 1 99 ASP H 2.000 . 4.000 2.799 2.696 2.971 . 0 0 "[ . 1]" 1
618 1 95 LYS HA 1 98 LEU H 2.000 . 4.000 3.603 3.330 3.789 . 0 0 "[ . 1]" 1
619 1 98 LEU H 1 98 LEU HB3 2.000 . 4.000 2.618 2.343 2.992 . 0 0 "[ . 1]" 1
620 1 98 LEU H 1 98 LEU HB2 2.000 . 4.000 3.042 2.088 3.656 . 0 0 "[ . 1]" 1
621 1 98 LEU H 1 98 LEU MD1 2.000 . 5.000 3.914 3.680 4.150 . 0 0 "[ . 1]" 1
622 1 98 LEU H 1 98 LEU MD2 2.000 . 5.000 3.470 2.777 4.184 . 0 0 "[ . 1]" 1
623 1 97 TYR HB3 1 98 LEU H 2.000 . 4.000 3.857 3.670 4.097 0.097 6 0 "[ . 1]" 1
624 1 97 TYR HB2 1 98 LEU H 2.000 . 4.000 2.615 2.296 3.569 . 0 0 "[ . 1]" 1
625 1 99 ASP H 1 100 GLU H 2.000 . 4.000 2.693 2.615 2.787 . 0 0 "[ . 1]" 1
626 1 99 ASP H 1 99 ASP HB3 2.000 . 4.000 2.797 2.254 3.442 . 0 0 "[ . 1]" 1
627 1 99 ASP H 1 99 ASP HB2 2.000 . 4.000 2.512 2.094 3.658 . 0 0 "[ . 1]" 1
628 1 98 LEU MD1 1 99 ASP H 2.000 . 5.000 2.900 2.376 4.165 . 0 0 "[ . 1]" 1
629 1 98 LEU MD2 1 99 ASP H 2.000 . 5.000 3.844 3.520 4.115 . 0 0 "[ . 1]" 1
630 1 98 LEU HB3 1 99 ASP H 2.000 . 4.000 3.180 2.202 4.019 0.019 4 0 "[ . 1]" 1
631 1 98 LEU HB2 1 99 ASP H 2.000 . 4.000 3.731 3.220 3.911 . 0 0 "[ . 1]" 1
632 1 96 GLY QA 1 99 ASP H 2.000 . 5.000 3.684 3.550 3.966 . 0 0 "[ . 1]" 1
633 1 100 GLU H 1 100 GLU QB 2.000 . 4.000 2.246 2.177 2.350 . 0 0 "[ . 1]" 1
634 1 99 ASP HA 1 100 GLU H 2.000 . 4.000 3.563 3.531 3.592 . 0 0 "[ . 1]" 1
635 1 99 ASP HB3 1 100 GLU H 2.000 . 4.000 2.828 2.477 3.976 . 0 0 "[ . 1]" 1
636 1 99 ASP HB2 1 100 GLU H 2.000 . 4.000 3.658 2.812 4.015 0.015 2 0 "[ . 1]" 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 164
_Distance_constraint_stats_list.Viol_count 493
_Distance_constraint_stats_list.Viol_total 315.155
_Distance_constraint_stats_list.Viol_max 0.250
_Distance_constraint_stats_list.Viol_rms 0.0429
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0192
_Distance_constraint_stats_list.Viol_average_violations_only 0.0639
_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 22 ILE 1.237 0.100 3 0 "[ . 1]"
1 23 LEU 7.679 0.250 4 0 "[ . 1]"
1 24 GLY 0.224 0.040 8 0 "[ . 1]"
1 25 ILE 0.908 0.080 8 0 "[ . 1]"
1 26 ILE 1.503 0.096 1 0 "[ . 1]"
1 27 GLU 0.978 0.082 9 0 "[ . 1]"
1 35 VAL 0.688 0.114 9 0 "[ . 1]"
1 36 ARG 0.978 0.082 9 0 "[ . 1]"
1 37 VAL 0.789 0.090 7 0 "[ . 1]"
1 38 ARG 0.908 0.080 8 0 "[ . 1]"
1 39 CYS 1.086 0.076 7 0 "[ . 1]"
1 40 LEU 7.679 0.250 4 0 "[ . 1]"
1 43 LYS 1.086 0.076 7 0 "[ . 1]"
1 44 THR 1.517 0.103 3 0 "[ . 1]"
1 45 ARG 0.789 0.090 7 0 "[ . 1]"
1 46 LEU 1.394 0.126 3 0 "[ . 1]"
1 47 GLY 0.688 0.114 9 0 "[ . 1]"
1 48 ARG 0.084 0.033 7 0 "[ . 1]"
1 63 ASP 1.503 0.096 1 0 "[ . 1]"
1 64 VAL 1.065 0.108 7 0 "[ . 1]"
1 65 VAL 0.224 0.040 8 0 "[ . 1]"
1 66 ILE 1.257 0.126 10 0 "[ . 1]"
1 67 VAL 1.237 0.100 3 0 "[ . 1]"
1 68 LYS 4.008 0.217 1 0 "[ . 1]"
1 70 TRP 5.630 0.232 6 0 "[ . 1]"
1 72 VAL 0.712 0.088 3 0 "[ . 1]"
1 75 ASP 0.712 0.088 3 0 "[ . 1]"
1 76 GLN 2.218 0.126 3 0 "[ . 1]"
1 77 LYS 5.630 0.232 6 0 "[ . 1]"
1 78 CYS 0.727 0.092 2 0 "[ . 1]"
1 79 ASP 4.008 0.217 1 0 "[ . 1]"
1 80 ILE 0.050 0.033 7 0 "[ . 1]"
1 81 ILE 1.257 0.126 10 0 "[ . 1]"
1 83 ARG 1.065 0.108 7 0 "[ . 1]"
1 88 GLN 0.154 0.065 7 0 "[ . 1]"
1 89 VAL 0.091 0.037 7 0 "[ . 1]"
1 90 GLU 0.010 0.010 7 0 "[ . 1]"
1 91 TRP 0.010 0.010 6 0 "[ . 1]"
1 92 LEU 0.244 0.065 7 0 "[ . 1]"
1 93 LYS 0.455 0.062 2 0 "[ . 1]"
1 94 ARG 0.017 0.010 7 0 "[ . 1]"
1 95 LYS 0.041 0.019 6 0 "[ . 1]"
1 96 GLY 0.090 0.036 7 0 "[ . 1]"
1 97 TYR 0.364 0.062 2 0 "[ . 1]"
1 98 LEU 0.007 0.007 4 0 "[ . 1]"
1 99 ASP 0.031 0.019 6 0 "[ . 1]"
1 100 GLU 0.000 0.000 . 0 "[ . 1]"
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 44 THR O 1 76 GLN H 2.150 . 2.350 2.433 2.401 2.453 0.103 3 0 "[ . 1]" 2
2 1 44 THR C 1 76 GLN N 4.350 4.150 4.550 4.519 4.450 4.568 0.018 7 0 "[ . 1]" 2
3 1 44 THR O 1 76 GLN N 3.140 2.940 3.340 3.334 3.260 3.379 0.039 6 0 "[ . 1]" 2
4 1 44 THR C 1 76 GLN H 3.380 3.180 3.580 3.635 3.603 3.661 0.081 3 0 "[ . 1]" 2
5 1 46 LEU H 1 76 GLN O 2.150 . 2.350 2.420 2.375 2.476 0.126 3 0 "[ . 1]" 2
6 1 46 LEU N 1 76 GLN C 4.350 4.150 4.550 4.395 4.348 4.452 . 0 0 "[ . 1]" 2
7 1 46 LEU N 1 76 GLN O 3.140 2.940 3.340 3.262 3.226 3.309 . 0 0 "[ . 1]" 2
8 1 46 LEU H 1 76 GLN C 3.380 3.180 3.580 3.524 3.478 3.566 . 0 0 "[ . 1]" 2
9 1 46 LEU O 1 78 CYS H 2.150 . 2.350 2.116 2.059 2.241 . 0 0 "[ . 1]" 2
10 1 46 LEU C 1 78 CYS N 4.350 4.150 4.550 4.082 4.058 4.114 0.092 2 0 "[ . 1]" 2
11 1 46 LEU O 1 78 CYS N 3.140 2.940 3.340 3.005 2.930 3.159 0.010 9 0 "[ . 1]" 2
12 1 46 LEU C 1 78 CYS H 3.380 3.180 3.580 3.255 3.231 3.307 . 0 0 "[ . 1]" 2
13 1 48 ARG H 1 78 CYS O 2.150 . 2.350 2.128 2.010 2.261 . 0 0 "[ . 1]" 2
14 1 48 ARG N 1 78 CYS C 4.350 4.150 4.550 4.177 4.126 4.230 0.024 4 0 "[ . 1]" 2
15 1 48 ARG N 1 78 CYS O 3.140 2.940 3.340 3.001 2.933 3.092 0.007 4 0 "[ . 1]" 2
16 1 48 ARG H 1 78 CYS C 3.380 3.180 3.580 3.263 3.181 3.339 . 0 0 "[ . 1]" 2
17 1 48 ARG O 1 80 ILE H 2.150 . 2.350 2.281 2.174 2.383 0.033 7 0 "[ . 1]" 2
18 1 48 ARG C 1 80 ILE N 4.350 4.150 4.550 4.303 4.162 4.441 . 0 0 "[ . 1]" 2
19 1 48 ARG O 1 80 ILE N 3.140 2.940 3.340 3.214 3.094 3.307 . 0 0 "[ . 1]" 2
20 1 48 ARG C 1 80 ILE H 3.380 3.180 3.580 3.335 3.201 3.481 . 0 0 "[ . 1]" 2
21 1 23 LEU H 1 40 LEU O 2.150 . 2.350 2.584 2.571 2.600 0.250 4 0 "[ . 1]" 2
22 1 23 LEU N 1 40 LEU C 4.350 4.150 4.550 4.461 4.393 4.534 . 0 0 "[ . 1]" 2
23 1 23 LEU N 1 40 LEU O 3.140 2.940 3.340 3.554 3.533 3.569 0.229 2 0 "[ . 1]" 2
24 1 23 LEU H 1 40 LEU C 3.380 3.180 3.580 3.480 3.402 3.557 . 0 0 "[ . 1]" 2
25 1 23 LEU O 1 40 LEU H 2.150 . 2.350 1.949 1.928 1.994 0.022 8 0 "[ . 1]" 2
26 1 23 LEU C 1 40 LEU N 4.350 4.150 4.550 4.001 3.989 4.013 0.161 4 0 "[ . 1]" 2
27 1 23 LEU O 1 40 LEU N 3.140 2.940 3.340 2.831 2.800 2.866 0.140 5 0 "[ . 1]" 2
28 1 23 LEU C 1 40 LEU H 3.380 3.180 3.580 3.127 3.102 3.154 0.078 7 0 "[ . 1]" 2
29 1 25 ILE H 1 38 ARG O 2.150 . 2.350 2.105 1.979 2.256 . 0 0 "[ . 1]" 2
30 1 25 ILE N 1 38 ARG C 4.350 4.150 4.550 4.167 4.130 4.270 0.020 3 0 "[ . 1]" 2
31 1 25 ILE N 1 38 ARG O 3.140 2.940 3.340 2.964 2.921 3.081 0.019 3 0 "[ . 1]" 2
32 1 25 ILE H 1 38 ARG C 3.380 3.180 3.580 3.306 3.175 3.431 0.005 3 0 "[ . 1]" 2
33 1 25 ILE O 1 38 ARG H 2.150 . 2.350 2.417 2.392 2.430 0.080 8 0 "[ . 1]" 2
34 1 25 ILE C 1 38 ARG N 4.350 4.150 4.550 4.481 4.431 4.544 . 0 0 "[ . 1]" 2
35 1 25 ILE O 1 38 ARG N 3.140 2.940 3.340 3.333 3.267 3.365 0.025 2 0 "[ . 1]" 2
36 1 25 ILE C 1 38 ARG H 3.380 3.180 3.580 3.564 3.498 3.614 0.034 8 0 "[ . 1]" 2
37 1 27 GLU H 1 36 ARG O 2.150 . 2.350 2.254 2.087 2.373 0.023 7 0 "[ . 1]" 2
38 1 27 GLU N 1 36 ARG C 4.350 4.150 4.550 4.251 4.122 4.393 0.028 9 0 "[ . 1]" 2
39 1 27 GLU N 1 36 ARG O 3.140 2.940 3.340 3.078 2.939 3.220 0.001 9 0 "[ . 1]" 2
40 1 27 GLU H 1 36 ARG C 3.380 3.180 3.580 3.368 3.216 3.457 . 0 0 "[ . 1]" 2
41 1 27 GLU O 1 36 ARG H 2.150 . 2.350 2.408 2.382 2.432 0.082 9 0 "[ . 1]" 2
42 1 27 GLU C 1 36 ARG N 4.350 4.150 4.550 4.477 4.413 4.554 0.004 7 0 "[ . 1]" 2
43 1 27 GLU O 1 36 ARG N 3.140 2.940 3.340 3.327 3.208 3.393 0.053 9 0 "[ . 1]" 2
44 1 27 GLU C 1 36 ARG H 3.380 3.180 3.580 3.583 3.483 3.616 0.036 2 0 "[ . 1]" 2
45 1 39 CYS H 1 43 LYS O 2.150 . 2.350 2.176 2.144 2.222 . 0 0 "[ . 1]" 2
46 1 39 CYS N 1 43 LYS C 4.350 4.150 4.550 4.130 4.095 4.197 0.055 10 0 "[ . 1]" 2
47 1 39 CYS N 1 43 LYS O 3.140 2.940 3.340 2.987 2.949 3.049 . 0 0 "[ . 1]" 2
48 1 39 CYS H 1 43 LYS C 3.380 3.180 3.580 3.335 3.281 3.402 . 0 0 "[ . 1]" 2
49 1 39 CYS O 1 43 LYS H 2.150 . 2.350 2.408 2.389 2.426 0.076 7 0 "[ . 1]" 2
50 1 39 CYS C 1 43 LYS N 4.350 4.150 4.550 4.206 4.164 4.250 . 0 0 "[ . 1]" 2
51 1 39 CYS O 1 43 LYS N 3.140 2.940 3.340 3.361 3.345 3.396 0.056 7 0 "[ . 1]" 2
52 1 39 CYS C 1 43 LYS H 3.380 3.180 3.580 3.286 3.224 3.331 . 0 0 "[ . 1]" 2
53 1 37 VAL H 1 45 ARG O 2.150 . 2.350 2.228 2.105 2.357 0.007 7 0 "[ . 1]" 2
54 1 37 VAL N 1 45 ARG C 4.350 4.150 4.550 4.227 4.091 4.505 0.059 2 0 "[ . 1]" 2
55 1 37 VAL N 1 45 ARG O 3.140 2.940 3.340 3.068 2.958 3.288 . 0 0 "[ . 1]" 2
56 1 37 VAL H 1 45 ARG C 3.380 3.180 3.580 3.326 3.211 3.568 . 0 0 "[ . 1]" 2
57 1 37 VAL O 1 45 ARG H 2.150 . 2.350 2.408 2.368 2.440 0.090 7 0 "[ . 1]" 2
58 1 37 VAL C 1 45 ARG N 4.350 4.150 4.550 4.390 4.241 4.563 0.013 7 0 "[ . 1]" 2
59 1 37 VAL O 1 45 ARG N 3.140 2.940 3.340 3.256 3.178 3.368 0.028 7 0 "[ . 1]" 2
60 1 37 VAL C 1 45 ARG H 3.380 3.180 3.580 3.484 3.348 3.611 0.031 7 0 "[ . 1]" 2
61 1 35 VAL H 1 47 GLY O 2.150 . 2.350 2.208 2.069 2.304 . 0 0 "[ . 1]" 2
62 1 35 VAL N 1 47 GLY C 4.350 4.150 4.550 4.310 4.191 4.406 . 0 0 "[ . 1]" 2
63 1 35 VAL N 1 47 GLY O 3.140 2.940 3.340 3.154 2.975 3.276 . 0 0 "[ . 1]" 2
64 1 35 VAL H 1 47 GLY C 3.380 3.180 3.580 3.370 3.284 3.452 . 0 0 "[ . 1]" 2
65 1 35 VAL O 1 47 GLY H 2.150 . 2.350 2.297 2.118 2.377 0.027 9 0 "[ . 1]" 2
66 1 35 VAL C 1 47 GLY N 4.350 4.150 4.550 4.086 4.036 4.137 0.114 9 0 "[ . 1]" 2
67 1 35 VAL O 1 47 GLY N 3.140 2.940 3.340 3.029 2.928 3.122 0.012 6 0 "[ . 1]" 2
68 1 35 VAL C 1 47 GLY H 3.380 3.180 3.580 3.263 3.177 3.364 0.003 9 0 "[ . 1]" 2
69 1 64 VAL O 1 83 ARG H 2.150 . 2.350 2.322 2.140 2.374 0.024 7 0 "[ . 1]" 2
70 1 64 VAL C 1 83 ARG N 4.350 4.150 4.550 4.314 4.160 4.426 . 0 0 "[ . 1]" 2
71 1 64 VAL O 1 83 ARG N 3.140 2.940 3.340 3.119 2.953 3.218 . 0 0 "[ . 1]" 2
72 1 64 VAL C 1 83 ARG H 3.380 3.180 3.580 3.467 3.313 3.539 . 0 0 "[ . 1]" 2
73 1 64 VAL H 1 83 ARG O 2.150 . 2.350 2.421 2.389 2.458 0.108 7 0 "[ . 1]" 2
74 1 64 VAL N 1 83 ARG C 4.350 4.150 4.550 4.464 4.392 4.530 . 0 0 "[ . 1]" 2
75 1 64 VAL N 1 83 ARG O 3.140 2.940 3.340 3.268 3.192 3.322 . 0 0 "[ . 1]" 2
76 1 64 VAL H 1 83 ARG C 3.380 3.180 3.580 3.603 3.531 3.636 0.056 2 0 "[ . 1]" 2
77 1 66 ILE O 1 81 ILE H 2.150 . 2.350 2.367 2.247 2.417 0.067 4 0 "[ . 1]" 2
78 1 66 ILE C 1 81 ILE N 4.350 4.150 4.550 4.394 4.193 4.513 . 0 0 "[ . 1]" 2
79 1 66 ILE O 1 81 ILE N 3.140 2.940 3.340 3.263 3.049 3.340 0.000 4 0 "[ . 1]" 2
80 1 66 ILE C 1 81 ILE H 3.380 3.180 3.580 3.449 3.323 3.554 . 0 0 "[ . 1]" 2
81 1 66 ILE H 1 81 ILE O 2.150 . 2.350 2.443 2.380 2.476 0.126 10 0 "[ . 1]" 2
82 1 66 ILE N 1 81 ILE C 4.350 4.150 4.550 4.369 4.299 4.427 . 0 0 "[ . 1]" 2
83 1 66 ILE N 1 81 ILE O 3.140 2.940 3.340 3.308 3.247 3.338 . 0 0 "[ . 1]" 2
84 1 66 ILE H 1 81 ILE C 3.380 3.180 3.580 3.467 3.373 3.538 . 0 0 "[ . 1]" 2
85 1 68 LYS O 1 79 ASP H 2.150 . 2.350 2.533 2.475 2.567 0.217 1 0 "[ . 1]" 2
86 1 68 LYS C 1 79 ASP N 4.350 4.150 4.550 4.106 4.078 4.159 0.072 3 0 "[ . 1]" 2
87 1 68 LYS O 1 79 ASP N 3.140 2.940 3.340 3.356 3.318 3.377 0.037 6 0 "[ . 1]" 2
88 1 68 LYS C 1 79 ASP H 3.380 3.180 3.580 3.144 3.116 3.196 0.064 3 0 "[ . 1]" 2
89 1 68 LYS H 1 79 ASP O 2.150 . 2.350 2.310 2.264 2.362 0.012 1 0 "[ . 1]" 2
90 1 68 LYS N 1 79 ASP C 4.350 4.150 4.550 4.062 4.024 4.109 0.126 9 0 "[ . 1]" 2
91 1 68 LYS N 1 79 ASP O 3.140 2.940 3.340 3.102 3.057 3.154 . 0 0 "[ . 1]" 2
92 1 68 LYS H 1 79 ASP C 3.380 3.180 3.580 3.154 3.132 3.199 0.048 6 0 "[ . 1]" 2
93 1 70 TRP O 1 77 LYS H 2.150 . 2.350 2.471 2.452 2.493 0.143 2 0 "[ . 1]" 2
94 1 70 TRP C 1 77 LYS N 4.350 4.150 4.550 4.252 4.212 4.294 . 0 0 "[ . 1]" 2
95 1 70 TRP O 1 77 LYS N 3.140 2.940 3.340 3.446 3.388 3.479 0.139 2 0 "[ . 1]" 2
96 1 70 TRP C 1 77 LYS H 3.380 3.180 3.580 3.285 3.234 3.332 . 0 0 "[ . 1]" 2
97 1 70 TRP H 1 77 LYS O 2.150 . 2.350 2.344 2.249 2.383 0.033 3 0 "[ . 1]" 2
98 1 70 TRP N 1 77 LYS C 4.350 4.150 4.550 3.936 3.918 3.971 0.232 6 0 "[ . 1]" 2
99 1 70 TRP N 1 77 LYS O 3.140 2.940 3.340 2.827 2.816 2.847 0.124 8 0 "[ . 1]" 2
100 1 70 TRP H 1 77 LYS C 3.380 3.180 3.580 3.488 3.410 3.524 . 0 0 "[ . 1]" 2
101 1 72 VAL O 1 75 ASP H 2.150 . 2.350 2.420 2.381 2.438 0.088 3 0 "[ . 1]" 2
102 1 72 VAL C 1 75 ASP N 4.350 4.150 4.550 4.361 4.193 4.455 . 0 0 "[ . 1]" 2
103 1 72 VAL O 1 75 ASP N 3.140 2.940 3.340 3.267 3.032 3.345 0.005 6 0 "[ . 1]" 2
104 1 72 VAL C 1 75 ASP H 3.380 3.180 3.580 3.457 3.415 3.500 . 0 0 "[ . 1]" 2
105 1 22 ILE O 1 67 VAL H 2.150 . 2.350 2.310 2.199 2.397 0.047 8 0 "[ . 1]" 2
106 1 22 ILE C 1 67 VAL N 4.350 4.150 4.550 4.331 4.111 4.495 0.039 7 0 "[ . 1]" 2
107 1 22 ILE O 1 67 VAL N 3.140 2.940 3.340 3.255 3.128 3.375 0.035 8 0 "[ . 1]" 2
108 1 22 ILE C 1 67 VAL H 3.380 3.180 3.580 3.407 3.185 3.558 . 0 0 "[ . 1]" 2
109 1 22 ILE H 1 67 VAL O 2.150 . 2.350 2.422 2.376 2.450 0.100 3 0 "[ . 1]" 2
110 1 22 ILE N 1 67 VAL C 4.350 4.150 4.550 4.503 4.444 4.556 0.006 5 0 "[ . 1]" 2
111 1 22 ILE N 1 67 VAL O 3.140 2.940 3.340 3.351 3.279 3.376 0.036 9 0 "[ . 1]" 2
112 1 22 ILE H 1 67 VAL C 3.380 3.180 3.580 3.589 3.524 3.628 0.048 5 0 "[ . 1]" 2
113 1 24 GLY O 1 65 VAL H 2.150 . 2.350 2.177 2.083 2.376 0.026 7 0 "[ . 1]" 2
114 1 24 GLY C 1 65 VAL N 4.350 4.150 4.550 4.225 4.120 4.487 0.030 1 0 "[ . 1]" 2
115 1 24 GLY O 1 65 VAL N 3.140 2.940 3.340 3.051 2.966 3.282 . 0 0 "[ . 1]" 2
116 1 24 GLY C 1 65 VAL H 3.380 3.180 3.580 3.318 3.191 3.554 . 0 0 "[ . 1]" 2
117 1 24 GLY H 1 65 VAL O 2.150 . 2.350 2.322 2.108 2.390 0.040 8 0 "[ . 1]" 2
118 1 24 GLY N 1 65 VAL C 4.350 4.150 4.550 4.396 4.202 4.523 . 0 0 "[ . 1]" 2
119 1 24 GLY N 1 65 VAL O 3.140 2.940 3.340 3.208 3.019 3.301 . 0 0 "[ . 1]" 2
120 1 24 GLY H 1 65 VAL C 3.380 3.180 3.580 3.486 3.271 3.601 0.021 8 0 "[ . 1]" 2
121 1 26 ILE O 1 63 ASP H 2.150 . 2.350 2.408 2.382 2.431 0.081 3 0 "[ . 1]" 2
122 1 26 ILE C 1 63 ASP N 4.350 4.150 4.550 4.430 4.364 4.532 . 0 0 "[ . 1]" 2
123 1 26 ILE O 1 63 ASP N 3.140 2.940 3.340 3.346 3.190 3.402 0.062 4 0 "[ . 1]" 2
124 1 26 ILE C 1 63 ASP H 3.380 3.180 3.580 3.482 3.380 3.577 . 0 0 "[ . 1]" 2
125 1 26 ILE H 1 63 ASP O 2.150 . 2.350 2.135 2.003 2.226 . 0 0 "[ . 1]" 2
126 1 26 ILE N 1 63 ASP C 4.350 4.150 4.550 4.120 4.054 4.273 0.096 1 0 "[ . 1]" 2
127 1 26 ILE N 1 63 ASP O 3.140 2.940 3.340 3.012 2.920 3.176 0.020 9 0 "[ . 1]" 2
128 1 26 ILE H 1 63 ASP C 3.380 3.180 3.580 3.197 3.132 3.308 0.048 4 0 "[ . 1]" 2
129 1 88 GLN O 1 92 LEU H 2.150 . 2.350 2.305 2.096 2.415 0.065 7 0 "[ . 1]" 2
130 1 88 GLN C 1 92 LEU N 4.350 3.950 4.550 4.417 4.201 4.493 . 0 0 "[ . 1]" 2
131 1 88 GLN O 1 92 LEU N 3.140 2.740 3.340 3.265 3.048 3.369 0.029 7 0 "[ . 1]" 2
132 1 88 GLN C 1 92 LEU H 3.380 2.980 3.580 3.449 3.228 3.535 . 0 0 "[ . 1]" 2
133 1 89 VAL O 1 93 LYS H 2.150 . 2.350 1.963 1.780 2.062 . 0 0 "[ . 1]" 2
134 1 89 VAL C 1 93 LYS N 4.350 3.950 4.550 4.038 3.913 4.150 0.037 7 0 "[ . 1]" 2
135 1 89 VAL O 1 93 LYS N 3.140 2.740 3.340 2.872 2.711 2.982 0.029 7 0 "[ . 1]" 2
136 1 89 VAL C 1 93 LYS H 3.380 2.980 3.580 3.092 2.963 3.206 0.017 7 0 "[ . 1]" 2
137 1 90 GLU O 1 94 ARG H 2.150 . 2.350 2.115 1.858 2.348 . 0 0 "[ . 1]" 2
138 1 90 GLU C 1 94 ARG N 4.350 3.950 4.550 4.186 3.940 4.461 0.010 7 0 "[ . 1]" 2
139 1 90 GLU O 1 94 ARG N 3.140 2.740 3.340 3.063 2.768 3.317 . 0 0 "[ . 1]" 2
140 1 90 GLU C 1 94 ARG H 3.380 2.980 3.580 3.223 2.986 3.504 . 0 0 "[ . 1]" 2
141 1 91 TRP O 1 95 LYS H 2.150 . 2.350 2.198 1.964 2.360 0.010 6 0 "[ . 1]" 2
142 1 91 TRP C 1 95 LYS N 4.350 3.950 4.550 4.253 4.053 4.493 . 0 0 "[ . 1]" 2
143 1 91 TRP O 1 95 LYS N 3.140 2.740 3.340 3.107 2.882 3.333 . 0 0 "[ . 1]" 2
144 1 91 TRP C 1 95 LYS H 3.380 2.980 3.580 3.304 3.098 3.528 . 0 0 "[ . 1]" 2
145 1 92 LEU O 1 96 GLY H 2.150 . 2.350 2.309 2.063 2.386 0.036 7 0 "[ . 1]" 2
146 1 92 LEU C 1 96 GLY N 4.350 3.950 4.550 4.230 3.951 4.351 . 0 0 "[ . 1]" 2
147 1 92 LEU O 1 96 GLY N 3.140 2.740 3.340 3.109 2.850 3.207 . 0 0 "[ . 1]" 2
148 1 92 LEU C 1 96 GLY H 3.380 2.980 3.580 3.353 3.085 3.461 . 0 0 "[ . 1]" 2
149 1 93 LYS O 1 97 TYR H 2.150 . 2.350 2.386 2.369 2.412 0.062 2 0 "[ . 1]" 2
150 1 93 LYS C 1 97 TYR N 4.350 3.950 4.550 4.484 4.455 4.518 . 0 0 "[ . 1]" 2
151 1 93 LYS O 1 97 TYR N 3.140 2.740 3.340 3.312 3.287 3.343 0.003 10 0 "[ . 1]" 2
152 1 93 LYS C 1 97 TYR H 3.380 2.980 3.580 3.537 3.500 3.581 0.001 6 0 "[ . 1]" 2
153 1 94 ARG O 1 98 LEU H 2.150 . 2.350 2.196 2.032 2.357 0.007 4 0 "[ . 1]" 2
154 1 94 ARG C 1 98 LEU N 4.350 3.950 4.550 4.314 4.092 4.508 . 0 0 "[ . 1]" 2
155 1 94 ARG O 1 98 LEU N 3.140 2.740 3.340 3.147 2.943 3.332 . 0 0 "[ . 1]" 2
156 1 94 ARG C 1 98 LEU H 3.380 2.980 3.580 3.352 3.139 3.545 . 0 0 "[ . 1]" 2
157 1 95 LYS O 1 99 ASP H 2.150 . 2.350 2.141 1.949 2.343 . 0 0 "[ . 1]" 2
158 1 95 LYS C 1 99 ASP N 4.350 3.950 4.550 4.167 3.938 4.446 0.012 6 0 "[ . 1]" 2
159 1 95 LYS O 1 99 ASP N 3.140 2.740 3.340 3.069 2.898 3.318 . 0 0 "[ . 1]" 2
160 1 95 LYS C 1 99 ASP H 3.380 2.980 3.580 3.206 2.961 3.488 0.019 6 0 "[ . 1]" 2
161 1 96 GLY O 1 100 GLU H 2.150 . 2.350 2.127 1.953 2.291 . 0 0 "[ . 1]" 2
162 1 96 GLY C 1 100 GLU N 4.350 3.950 4.550 4.138 3.967 4.276 . 0 0 "[ . 1]" 2
163 1 96 GLY O 1 100 GLU N 3.140 2.740 3.340 3.035 2.875 3.181 . 0 0 "[ . 1]" 2
164 1 96 GLY C 1 100 GLU H 3.380 2.980 3.580 3.184 2.999 3.321 . 0 0 "[ . 1]" 2
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