NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
490167 |
2kqf   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kqf
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 76
_Distance_constraint_stats_list.Viol_count 93
_Distance_constraint_stats_list.Viol_total 66.280
_Distance_constraint_stats_list.Viol_max 0.232
_Distance_constraint_stats_list.Viol_rms 0.0281
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.0713
_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 17 TYR 0.429 0.090 8 0 "[ . 1]"
1 19 PHE 0.000 0.000 . 0 "[ . 1]"
1 20 THR 0.179 0.179 2 0 "[ . 1]"
1 21 LEU 0.805 0.113 10 0 "[ . 1]"
1 22 ARG 2.034 0.232 2 0 "[ . 1]"
1 23 ALA 0.000 0.000 . 0 "[ . 1]"
1 24 ILE 0.558 0.099 3 0 "[ . 1]"
1 26 VAL 0.796 0.134 5 0 "[ . 1]"
1 41 TRP 0.580 0.097 6 0 "[ . 1]"
1 73 HIS 0.016 0.016 9 0 "[ . 1]"
1 77 VAL 1.231 0.144 3 0 "[ . 1]"
1 80 ILE 0.000 0.000 . 0 "[ . 1]"
2 2 TRP 1.555 0.134 5 0 "[ . 1]"
2 4 SER 0.379 0.099 3 0 "[ . 1]"
2 5 HIS 0.000 0.000 . 0 "[ . 1]"
2 8 GLY 0.000 0.000 . 0 "[ . 1]"
2 9 GLY 0.016 0.016 9 0 "[ . 1]"
2 10 GLU 1.381 0.179 2 0 "[ . 1]"
2 11 THR 0.099 0.050 2 0 "[ . 1]"
2 12 ARG 0.833 0.232 2 0 "[ . 1]"
2 13 LEU 2.365 0.144 3 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 80 ILE MD 2 13 LEU HG 4.820 . 6.000 2.096 1.851 3.894 . 0 0 "[ . 1]" 1
2 1 80 ILE MD 2 13 LEU MD1 3.650 . 6.000 2.647 2.309 2.796 . 0 0 "[ . 1]" 1
3 1 80 ILE MD 2 13 LEU MD2 4.650 . 6.000 2.332 2.248 2.393 . 0 0 "[ . 1]" 1
4 1 80 ILE HB 2 13 LEU MD1 4.480 . 6.000 2.600 2.219 4.017 . 0 0 "[ . 1]" 1
5 1 80 ILE MG 2 13 LEU HG 4.456 . 6.000 2.658 2.335 4.528 . 0 0 "[ . 1]" 1
6 1 80 ILE MG 2 13 LEU MD1 3.038 . 6.000 2.425 2.177 2.846 . 0 0 "[ . 1]" 1
7 1 80 ILE MG 2 13 LEU MD2 4.741 . 6.000 3.576 2.166 3.837 . 0 0 "[ . 1]" 1
8 1 21 LEU HG 2 13 LEU MD1 4.396 . 6.000 6.041 5.622 6.113 0.113 10 0 "[ . 1]" 1
9 1 21 LEU HB2 2 13 LEU MD1 4.465 . 6.000 4.310 3.295 4.481 . 0 0 "[ . 1]" 1
10 1 21 LEU HB3 2 13 LEU MD2 4.994 . 6.000 3.213 2.805 5.241 . 0 0 "[ . 1]" 1
11 1 21 LEU HB3 2 13 LEU MD1 4.454 . 6.000 5.090 4.576 5.238 . 0 0 "[ . 1]" 1
12 1 21 LEU HB2 2 13 LEU MD2 4.844 . 6.000 2.192 1.891 4.480 . 0 0 "[ . 1]" 1
13 1 20 THR MG 2 12 ARG HA 3.813 . 6.000 3.215 2.880 3.413 . 0 0 "[ . 1]" 1
14 1 20 THR MG 2 12 ARG QB 3.380 . 6.000 2.050 1.977 2.199 . 0 0 "[ . 1]" 1
15 1 20 THR MG 2 12 ARG QD 2.907 . 6.000 3.783 2.984 4.735 . 0 0 "[ . 1]" 1
16 1 20 THR MG 2 13 LEU H 4.994 . 6.000 4.536 4.404 4.804 . 0 0 "[ . 1]" 1
17 1 20 THR MG 2 10 GLU QG 3.200 . 6.000 4.614 3.458 5.723 . 0 0 "[ . 1]" 1
18 1 20 THR MG 2 10 GLU HB3 3.380 . 6.000 4.239 3.670 5.359 . 0 0 "[ . 1]" 1
19 1 20 THR MG 2 10 GLU HB2 3.380 . 6.000 5.419 4.980 6.179 0.179 2 0 "[ . 1]" 1
20 1 77 VAL HA 2 11 THR MG 4.972 . 6.000 5.229 4.891 5.517 . 0 0 "[ . 1]" 1
21 1 77 VAL HA 2 13 LEU MD1 4.064 . 6.000 2.241 1.984 3.916 . 0 0 "[ . 1]" 1
22 1 77 VAL MG1 2 13 LEU MD1 3.554 . 6.000 1.999 1.776 3.659 0.024 7 0 "[ . 1]" 1
23 1 77 VAL MG1 2 13 LEU HG 4.989 . 6.000 3.926 2.532 4.188 . 0 0 "[ . 1]" 1
24 1 77 VAL MG1 2 11 THR MG 1.800 . 2.500 2.462 2.393 2.550 0.050 2 0 "[ . 1]" 1
25 1 77 VAL MG2 2 13 LEU MD2 4.791 . 6.000 2.204 2.009 3.166 . 0 0 "[ . 1]" 1
26 1 77 VAL MG2 2 13 LEU MD1 3.532 . 6.000 3.013 2.683 3.822 . 0 0 "[ . 1]" 1
27 1 77 VAL MG2 2 11 THR MG 3.055 . 6.000 2.592 2.140 3.042 . 0 0 "[ . 1]" 1
28 1 77 VAL MG2 2 11 THR HA 4.346 . 6.000 4.764 4.497 5.502 . 0 0 "[ . 1]" 1
29 1 77 VAL MG2 2 11 THR HB 4.714 . 6.000 2.731 2.018 4.523 . 0 0 "[ . 1]" 1
30 1 17 TYR HB2 2 13 LEU QB 4.978 . 6.000 2.341 2.084 3.755 . 0 0 "[ . 1]" 1
31 1 17 TYR HB3 2 13 LEU QB 4.885 . 6.000 3.899 3.624 5.286 . 0 0 "[ . 1]" 1
32 1 17 TYR QE 2 13 LEU HG 4.504 . 6.000 4.710 4.520 5.466 . 0 0 "[ . 1]" 1
33 1 17 TYR HD2 2 13 LEU HG 3.730 . 6.000 5.608 3.272 6.090 0.090 8 0 "[ . 1]" 1
34 1 17 TYR HD2 2 13 LEU MD1 4.527 . 6.000 5.072 2.240 5.866 . 0 0 "[ . 1]" 1
35 1 17 TYR HB3 2 13 LEU MD1 5.000 . 6.000 5.104 3.794 5.375 . 0 0 "[ . 1]" 1
36 1 17 TYR QE 2 13 LEU MD1 4.840 . 6.000 2.936 2.582 4.011 . 0 0 "[ . 1]" 1
37 1 19 PHE QE 2 13 LEU HG 4.652 . 6.000 3.140 2.801 5.129 . 0 0 "[ . 1]" 1
38 1 19 PHE QE 2 13 LEU MD1 4.697 . 6.000 3.960 2.517 4.207 . 0 0 "[ . 1]" 1
39 1 19 PHE QD 2 13 LEU HG 4.666 . 6.000 4.563 4.258 5.662 . 0 0 "[ . 1]" 1
40 1 19 PHE QD 2 13 LEU MD1 4.712 . 6.000 4.956 3.078 5.252 . 0 0 "[ . 1]" 1
41 1 19 PHE H 2 13 LEU HG 4.283 . 6.000 5.549 5.395 5.704 . 0 0 "[ . 1]" 1
42 1 19 PHE H 2 13 LEU MD1 4.712 . 6.000 5.347 3.069 5.959 . 0 0 "[ . 1]" 1
43 1 22 ARG HA 2 10 GLU HA 2.800 . 4.300 4.413 4.362 4.477 0.177 1 0 "[ . 1]" 1
44 1 22 ARG HA 2 10 GLU QG 4.940 . 6.000 5.085 3.992 5.649 . 0 0 "[ . 1]" 1
45 1 22 ARG HA 2 10 GLU QB 4.930 . 6.000 5.686 5.184 6.040 0.040 3 0 "[ . 1]" 1
46 1 22 ARG HA 2 12 ARG QB 4.900 . 6.000 6.070 5.869 6.232 0.232 2 0 "[ . 1]" 1
47 1 77 VAL H 2 13 LEU HG 3.534 . 6.000 6.108 6.060 6.144 0.144 3 0 "[ . 1]" 1
48 1 77 VAL H 2 13 LEU MD1 3.731 . 6.000 4.629 4.418 5.885 . 0 0 "[ . 1]" 1
49 1 77 VAL H 2 13 LEU MD2 4.823 . 6.000 3.986 3.780 4.711 . 0 0 "[ . 1]" 1
50 1 21 LEU H 2 13 LEU HG 4.879 . 6.000 5.304 4.456 5.627 . 0 0 "[ . 1]" 1
51 1 21 LEU H 2 11 THR MG 4.754 . 6.000 5.533 4.624 6.016 0.016 4 0 "[ . 1]" 1
52 1 21 LEU H 2 12 ARG HA 3.999 . 6.000 2.289 2.053 2.679 . 0 0 "[ . 1]" 1
53 1 21 LEU H 2 13 LEU MD1 4.320 . 6.000 4.976 3.790 5.231 . 0 0 "[ . 1]" 1
54 1 21 LEU H 2 13 LEU MD2 5.000 . 6.000 2.981 2.558 5.379 . 0 0 "[ . 1]" 1
55 1 17 TYR H 2 13 LEU HG 4.547 . 6.000 5.246 5.006 5.699 . 0 0 "[ . 1]" 1
56 1 73 HIS HD2 2 9 GLY QA 4.790 . 6.000 4.785 3.066 6.016 0.016 9 0 "[ . 1]" 1
57 1 24 ILE MG 2 4 SER HA 4.800 . 6.000 5.170 3.757 6.011 0.011 6 0 "[ . 1]" 1
58 1 24 ILE MG 2 4 SER QB 4.800 . 6.000 5.590 3.529 6.099 0.099 3 0 "[ . 1]" 1
59 1 24 ILE MG 2 2 TRP HE3 4.930 . 6.000 3.507 2.647 4.546 . 0 0 "[ . 1]" 1
60 1 24 ILE MG 2 2 TRP HZ3 4.900 . 6.000 3.579 2.594 4.450 . 0 0 "[ . 1]" 1
61 1 24 ILE MG 2 2 TRP HZ2 4.850 . 6.000 3.399 2.481 4.232 . 0 0 "[ . 1]" 1
62 1 24 ILE MG 2 2 TRP HD1 4.850 . 6.000 4.294 3.391 5.519 . 0 0 "[ . 1]" 1
63 1 24 ILE MD 2 2 TRP QB 4.270 . 6.000 3.807 2.772 5.092 . 0 0 "[ . 1]" 1
64 1 24 ILE MD 2 2 TRP HD1 4.900 . 6.000 5.476 4.708 6.053 0.053 1 0 "[ . 1]" 1
65 1 24 ILE MD 2 2 TRP HE3 4.930 . 6.000 3.314 2.080 4.437 . 0 0 "[ . 1]" 1
66 1 24 ILE MD 2 2 TRP HZ2 4.900 . 6.000 4.948 2.610 6.057 0.057 6 0 "[ . 1]" 1
67 1 24 ILE MD 2 2 TRP HZ3 4.930 . 6.000 3.599 2.377 4.810 . 0 0 "[ . 1]" 1
68 1 24 ILE MG 2 5 HIS QB 4.810 . 6.000 4.104 2.772 5.504 . 0 0 "[ . 1]" 1
69 1 26 VAL MG1 2 2 TRP QB 4.450 . 6.000 3.157 2.074 3.874 . 0 0 "[ . 1]" 1
70 1 26 VAL MG1 2 2 TRP HZ3 4.950 . 6.000 6.028 5.904 6.103 0.103 10 0 "[ . 1]" 1
71 1 26 VAL MG2 2 2 TRP QB 4.880 . 6.000 5.394 4.069 6.134 0.134 5 0 "[ . 1]" 1
72 1 23 ALA MB 2 5 HIS QB 4.750 . 6.000 5.143 2.849 5.603 . 0 0 "[ . 1]" 1
73 1 23 ALA MB 2 8 GLY QA 4.190 . 6.000 3.944 3.060 5.007 . 0 0 "[ . 1]" 1
74 1 41 TRP HH2 2 2 TRP HH2 4.950 . 6.000 2.722 1.797 5.540 0.003 7 0 "[ . 1]" 1
75 1 41 TRP HH2 2 2 TRP HZ3 4.950 . 6.000 3.834 3.613 4.229 . 0 0 "[ . 1]" 1
76 1 41 TRP HZ2 2 2 TRP HZ3 4.900 . 6.000 6.048 5.914 6.097 0.097 6 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 1041
_Distance_constraint_stats_list.Viol_count 1688
_Distance_constraint_stats_list.Viol_total 1345.940
_Distance_constraint_stats_list.Viol_max 0.365
_Distance_constraint_stats_list.Viol_rms 0.0392
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0129
_Distance_constraint_stats_list.Viol_average_violations_only 0.0797
_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 3 SER 0.000 0.000 . 0 "[ . 1]"
1 4 MET 0.000 0.000 . 0 "[ . 1]"
1 5 ARG 0.000 0.000 . 0 "[ . 1]"
1 6 PRO 4.850 0.310 9 0 "[ . 1]"
1 7 PRO 3.684 0.165 4 0 "[ . 1]"
1 8 ILE 6.561 0.182 4 0 "[ . 1]"
1 9 ILE 3.085 0.162 3 0 "[ . 1]"
1 10 ILE 2.893 0.203 6 0 "[ . 1]"
1 11 HIS 1.676 0.124 4 0 "[ . 1]"
1 12 ARG 2.960 0.165 9 0 "[ . 1]"
1 13 ALA 0.247 0.048 9 0 "[ . 1]"
1 15 LYS 0.122 0.062 7 0 "[ . 1]"
1 16 LYS 1.316 0.125 10 0 "[ . 1]"
1 17 TYR 2.603 0.142 9 0 "[ . 1]"
1 18 GLY 7.183 0.365 9 0 "[ . 1]"
1 19 PHE 13.396 0.280 8 0 "[ . 1]"
1 20 THR 4.931 0.221 2 0 "[ . 1]"
1 21 LEU 4.208 0.360 8 0 "[ . 1]"
1 22 ARG 1.053 0.172 4 0 "[ . 1]"
1 23 ALA 0.335 0.082 5 0 "[ . 1]"
1 24 ILE 0.452 0.090 2 0 "[ . 1]"
1 25 ARG 1.039 0.166 1 0 "[ . 1]"
1 26 VAL 1.508 0.153 4 0 "[ . 1]"
1 27 TYR 0.245 0.059 9 0 "[ . 1]"
1 28 MET 0.000 0.000 . 0 "[ . 1]"
1 30 ASP 0.000 0.000 . 0 "[ . 1]"
1 31 SER 0.097 0.049 4 0 "[ . 1]"
1 32 ASP 0.214 0.072 6 0 "[ . 1]"
1 33 VAL 2.589 0.143 3 0 "[ . 1]"
1 34 TYR 1.898 0.143 3 0 "[ . 1]"
1 35 THR 2.283 0.165 6 0 "[ . 1]"
1 36 VAL 1.106 0.165 6 0 "[ . 1]"
1 37 HIS 0.346 0.079 1 0 "[ . 1]"
1 38 HIS 1.475 0.172 10 0 "[ . 1]"
1 39 MET 0.702 0.114 7 0 "[ . 1]"
1 40 VAL 2.436 0.126 1 0 "[ . 1]"
1 41 TRP 3.537 0.197 7 0 "[ . 1]"
1 42 HIS 5.160 0.210 8 0 "[ . 1]"
1 43 VAL 7.751 0.215 4 0 "[ . 1]"
1 44 GLU 6.466 0.294 8 0 "[ . 1]"
1 45 ASP 0.000 0.000 . 0 "[ . 1]"
1 46 GLY 0.007 0.007 10 0 "[ . 1]"
1 47 GLY 1.023 0.111 8 0 "[ . 1]"
1 48 PRO 5.685 0.365 9 0 "[ . 1]"
1 49 ALA 5.408 0.236 4 0 "[ . 1]"
1 50 SER 2.977 0.185 4 0 "[ . 1]"
1 51 GLU 3.016 0.133 5 0 "[ . 1]"
1 52 ALA 1.667 0.133 5 0 "[ . 1]"
1 53 GLY 1.331 0.106 2 0 "[ . 1]"
1 54 LEU 3.400 0.196 5 0 "[ . 1]"
1 55 ARG 1.321 0.196 5 0 "[ . 1]"
1 56 GLN 3.709 0.164 2 0 "[ . 1]"
1 57 GLY 0.508 0.078 3 0 "[ . 1]"
1 58 ASP 2.519 0.235 3 0 "[ . 1]"
1 59 LEU 0.953 0.087 8 0 "[ . 1]"
1 60 ILE 1.505 0.084 1 0 "[ . 1]"
1 61 THR 0.892 0.110 4 0 "[ . 1]"
1 62 HIS 1.324 0.146 1 0 "[ . 1]"
1 63 VAL 4.257 0.160 3 0 "[ . 1]"
1 64 ASN 1.151 0.126 5 0 "[ . 1]"
1 65 GLY 1.218 0.160 3 0 "[ . 1]"
1 66 GLU 6.999 0.338 3 0 "[ . 1]"
1 67 PRO 2.966 0.278 6 0 "[ . 1]"
1 68 VAL 3.514 0.204 1 0 "[ . 1]"
1 69 HIS 2.631 0.204 1 0 "[ . 1]"
1 70 GLY 0.000 0.000 . 0 "[ . 1]"
1 71 LEU 0.874 0.137 2 0 "[ . 1]"
1 72 VAL 0.999 0.086 7 0 "[ . 1]"
1 73 HIS 3.310 0.321 2 0 "[ . 1]"
1 74 THR 3.671 0.321 2 0 "[ . 1]"
1 75 GLU 1.562 0.096 8 0 "[ . 1]"
1 76 VAL 7.148 0.360 8 0 "[ . 1]"
1 77 VAL 6.163 0.229 4 0 "[ . 1]"
1 78 GLU 2.894 0.142 1 0 "[ . 1]"
1 79 LEU 2.153 0.142 1 0 "[ . 1]"
1 80 ILE 3.410 0.162 2 0 "[ . 1]"
1 81 LEU 0.432 0.050 2 0 "[ . 1]"
1 82 LYS 3.718 0.199 6 0 "[ . 1]"
1 83 SER 1.622 0.143 7 0 "[ . 1]"
1 84 GLY 0.539 0.135 4 0 "[ . 1]"
1 85 ASN 1.582 0.211 1 0 "[ . 1]"
1 86 LYS 3.729 0.211 1 0 "[ . 1]"
1 87 VAL 3.893 0.124 4 0 "[ . 1]"
1 88 ALA 6.340 0.167 9 0 "[ . 1]"
1 89 ILE 2.016 0.167 9 0 "[ . 1]"
1 90 SER 2.573 0.146 1 0 "[ . 1]"
1 91 THR 1.939 0.110 4 0 "[ . 1]"
1 92 THR 2.697 0.235 3 0 "[ . 1]"
1 93 PRO 4.460 0.213 2 0 "[ . 1]"
1 94 LEU 2.242 0.168 1 0 "[ . 1]"
1 95 GLU 0.591 0.125 1 0 "[ . 1]"
1 96 ASN 0.246 0.078 10 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 91 THR HA 1 91 THR HB 2.497 . 3.277 2.478 2.442 2.536 . 0 0 "[ . 1]" 2
2 1 91 THR HB 1 91 THR MG 2.228 . 2.848 2.131 2.126 2.136 . 0 0 "[ . 1]" 2
3 1 35 THR HB 1 36 VAL H 2.597 . 3.440 3.546 3.469 3.605 0.165 6 0 "[ . 1]" 2
4 1 20 THR HB 1 42 HIS HB2 2.686 . 3.588 3.456 3.399 3.504 . 0 0 "[ . 1]" 2
5 1 20 THR HB 1 42 HIS HB3 2.547 . 3.358 3.336 3.136 3.403 0.045 4 0 "[ . 1]" 2
6 1 20 THR HB 1 20 THR MG 2.285 . 2.938 2.130 2.122 2.136 . 0 0 "[ . 1]" 2
7 1 61 THR MG 1 92 THR HB 1.987 . 2.480 2.403 2.207 2.498 0.018 8 0 "[ . 1]" 2
8 1 35 THR HB 1 35 THR MG 2.058 . 2.587 2.133 2.131 2.135 . 0 0 "[ . 1]" 2
9 1 77 VAL H 1 77 VAL HA 2.368 . 3.069 2.749 2.739 2.766 . 0 0 "[ . 1]" 2
10 1 76 VAL H 1 76 VAL HA 2.319 . 2.991 2.834 2.827 2.844 . 0 0 "[ . 1]" 2
11 1 74 THR HA 1 74 THR HB 2.244 . 2.874 2.383 2.362 2.404 . 0 0 "[ . 1]" 2
12 1 77 VAL HA 1 77 VAL HB 2.209 . 2.819 3.004 3.001 3.007 0.188 3 0 "[ . 1]" 2
13 1 76 VAL HA 1 79 LEU HB2 2.313 . 2.982 2.407 2.285 2.534 . 0 0 "[ . 1]" 2
14 1 76 VAL HA 1 76 VAL HB 2.454 . 3.207 2.520 2.494 2.541 . 0 0 "[ . 1]" 2
15 1 74 THR HB 1 74 THR MG 1.990 . 2.485 2.135 2.130 2.140 . 0 0 "[ . 1]" 2
16 1 61 THR HB 1 61 THR MG 2.140 . 2.712 2.136 2.134 2.138 . 0 0 "[ . 1]" 2
17 1 77 VAL HA 1 77 VAL MG1 1.914 . 2.372 2.409 2.387 2.464 0.092 5 0 "[ . 1]" 2
18 1 77 VAL HA 1 77 VAL MG2 2.050 . 2.576 2.394 2.326 2.462 . 0 0 "[ . 1]" 2
19 1 76 VAL HA 1 76 VAL MG1 2.178 . 2.771 2.224 2.185 2.265 . 0 0 "[ . 1]" 2
20 1 74 THR HA 1 77 VAL H 2.592 . 3.432 3.497 3.445 3.534 0.102 2 0 "[ . 1]" 2
21 1 80 ILE H 1 80 ILE HA 2.406 . 3.130 2.830 2.819 2.843 . 0 0 "[ . 1]" 2
22 1 48 PRO HA 1 48 PRO HB2 2.368 . 3.069 2.974 2.965 2.984 . 0 0 "[ . 1]" 2
23 1 74 THR HA 1 77 VAL HB 2.150 . 2.728 2.598 2.517 2.672 . 0 0 "[ . 1]" 2
24 1 74 THR HA 1 74 THR MG 2.139 . 2.711 2.480 2.426 2.519 . 0 0 "[ . 1]" 2
25 1 80 ILE HA 1 80 ILE MG 1.960 . 2.440 2.483 2.461 2.511 0.071 5 0 "[ . 1]" 2
26 1 71 LEU QD 1 76 VAL HA 2.071 . 2.607 2.692 2.635 2.744 0.137 2 0 "[ . 1]" 2
27 1 74 THR HA 1 77 VAL MG2 2.409 . 3.134 2.581 2.449 2.752 . 0 0 "[ . 1]" 2
28 1 40 VAL H 1 40 VAL HA 2.215 . 2.828 2.855 2.851 2.860 0.032 2 0 "[ . 1]" 2
29 1 60 ILE HA 1 61 THR H 2.310 . 2.977 2.126 2.117 2.134 . 0 0 "[ . 1]" 2
30 1 50 SER H 1 50 SER HB3 2.534 . 3.337 3.452 3.416 3.522 0.185 4 0 "[ . 1]" 2
31 1 50 SER H 1 50 SER HB2 2.499 . 3.280 2.143 2.108 2.266 . 0 0 "[ . 1]" 2
32 1 33 VAL HA 1 34 TYR H 2.011 . 2.517 2.101 2.067 2.157 . 0 0 "[ . 1]" 2
33 1 83 SER H 1 83 SER HB2 2.547 . 3.358 2.467 2.308 2.527 . 0 0 "[ . 1]" 2
34 1 67 PRO HA 1 67 PRO QB 2.229 . 2.850 2.186 2.172 2.239 . 0 0 "[ . 1]" 2
35 1 83 SER HB2 1 87 VAL HB 2.568 . 3.392 3.368 3.143 3.413 0.021 2 0 "[ . 1]" 2
36 1 33 VAL HA 1 33 VAL HB 2.437 . 3.179 2.378 2.329 2.442 . 0 0 "[ . 1]" 2
37 1 60 ILE HA 1 60 ILE HB 2.406 . 3.130 3.025 3.022 3.028 . 0 0 "[ . 1]" 2
38 1 83 SER HB3 1 87 VAL MG2 2.563 . 3.384 2.857 2.750 2.969 . 0 0 "[ . 1]" 2
39 1 33 VAL HA 1 33 VAL MG2 1.951 . 2.427 2.444 2.395 2.492 0.065 8 0 "[ . 1]" 2
40 1 60 ILE HA 1 60 ILE MG 1.948 . 2.422 2.451 2.426 2.474 0.052 10 0 "[ . 1]" 2
41 1 63 VAL HA 1 64 ASN H 2.495 . 3.273 2.120 2.106 2.133 . 0 0 "[ . 1]" 2
42 1 91 THR HA 1 92 THR H 2.247 . 2.878 2.557 2.471 2.672 . 0 0 "[ . 1]" 2
43 1 78 GLU HA 1 81 LEU H 2.621 . 3.480 3.320 3.242 3.477 . 0 0 "[ . 1]" 2
44 1 8 ILE HA 1 9 ILE H 1.942 . 2.413 2.142 2.125 2.157 . 0 0 "[ . 1]" 2
45 1 35 THR HA 1 36 VAL H 2.307 . 2.972 2.151 2.129 2.172 . 0 0 "[ . 1]" 2
46 1 51 GLU H 1 51 GLU HA 2.268 . 2.911 2.821 2.815 2.828 . 0 0 "[ . 1]" 2
47 1 51 GLU HA 1 52 ALA H 2.682 . 3.581 3.432 3.402 3.457 . 0 0 "[ . 1]" 2
48 1 78 GLU H 1 78 GLU HA 2.202 . 2.808 2.805 2.792 2.820 0.012 8 0 "[ . 1]" 2
49 1 17 TYR HA 1 17 TYR QD 2.505 . 3.290 2.964 2.845 3.074 . 0 0 "[ . 1]" 2
50 1 17 TYR HA 1 17 TYR HB2 2.590 . 3.428 3.020 3.017 3.022 . 0 0 "[ . 1]" 2
51 1 6 PRO HA 1 6 PRO HB2 2.558 . 3.376 2.853 2.813 2.879 . 0 0 "[ . 1]" 2
52 1 68 VAL HA 1 68 VAL HB 2.240 . 2.867 2.444 2.418 2.464 . 0 0 "[ . 1]" 2
53 1 78 GLU HA 1 78 GLU HG2 2.325 . 3.001 2.227 2.126 2.361 . 0 0 "[ . 1]" 2
54 1 6 PRO HA 1 6 PRO HB3 2.519 . 3.312 2.265 2.261 2.268 . 0 0 "[ . 1]" 2
55 1 87 VAL HA 1 87 VAL HB 2.521 . 3.316 2.475 2.462 2.492 . 0 0 "[ . 1]" 2
56 1 8 ILE HA 1 8 ILE HB 2.293 . 2.950 2.994 2.987 3.002 0.052 4 0 "[ . 1]" 2
57 1 20 THR HA 1 20 THR MG 2.552 . 3.366 2.475 2.411 2.499 . 0 0 "[ . 1]" 2
58 1 68 VAL HA 1 71 LEU HG 2.394 . 3.110 2.249 2.106 2.323 . 0 0 "[ . 1]" 2
59 1 8 ILE HA 1 8 ILE HG13 2.331 . 3.010 2.990 2.744 3.157 0.147 2 0 "[ . 1]" 2
60 1 8 ILE HA 1 8 ILE HG12 2.440 . 3.184 2.937 2.732 3.145 . 0 0 "[ . 1]" 2
61 1 61 THR MG 1 91 THR HA 2.466 . 3.226 3.300 3.267 3.336 0.110 4 0 "[ . 1]" 2
62 1 91 THR HA 1 91 THR MG 2.260 . 2.899 2.335 2.278 2.391 . 0 0 "[ . 1]" 2
63 1 72 VAL HA 1 72 VAL MG2 2.643 . 3.516 2.141 2.106 2.185 . 0 0 "[ . 1]" 2
64 1 35 THR HA 1 35 THR MG 2.176 . 2.768 2.146 2.133 2.169 . 0 0 "[ . 1]" 2
65 1 10 ILE HA 1 10 ILE MG 2.242 . 2.870 2.277 2.253 2.327 . 0 0 "[ . 1]" 2
66 1 87 VAL HA 1 87 VAL MG2 2.360 . 3.056 2.368 2.349 2.384 . 0 0 "[ . 1]" 2
67 1 8 ILE HA 1 8 ILE MG 2.069 . 2.604 2.232 2.213 2.269 . 0 0 "[ . 1]" 2
68 1 63 VAL HA 1 63 VAL MG2 1.952 . 2.428 2.398 2.304 2.428 0.000 3 0 "[ . 1]" 2
69 1 68 VAL HA 1 68 VAL QG 1.923 . 2.385 2.331 2.297 2.361 . 0 0 "[ . 1]" 2
70 1 10 ILE HA 1 10 ILE HG12 2.469 . 3.231 3.103 3.067 3.166 . 0 0 "[ . 1]" 2
71 1 19 PHE HA 1 20 THR H 2.309 . 2.976 2.107 2.050 2.138 . 0 0 "[ . 1]" 2
72 1 56 GLN HA 1 57 GLY H 2.091 . 2.638 2.198 2.147 2.234 . 0 0 "[ . 1]" 2
73 1 81 LEU H 1 81 LEU HA 2.370 . 3.072 2.800 2.789 2.809 . 0 0 "[ . 1]" 2
74 1 82 LYS H 1 82 LYS HA 2.176 . 2.768 2.778 2.768 2.786 0.018 5 0 "[ . 1]" 2
75 1 56 GLN H 1 56 GLN HA 2.556 . 3.373 2.742 2.732 2.751 . 0 0 "[ . 1]" 2
76 1 19 PHE HA 1 44 GLU H 2.646 . 3.521 3.055 3.007 3.118 . 0 0 "[ . 1]" 2
77 1 75 GLU HA 1 78 GLU H 2.637 . 3.506 3.441 3.374 3.524 0.018 8 0 "[ . 1]" 2
78 1 83 SER H 1 83 SER HA 2.366 . 3.066 2.763 2.749 2.778 . 0 0 "[ . 1]" 2
79 1 79 LEU H 1 79 LEU HA 2.254 . 2.889 2.770 2.764 2.777 . 0 0 "[ . 1]" 2
80 1 75 GLU H 1 75 GLU HA 2.492 . 3.268 2.836 2.827 2.843 . 0 0 "[ . 1]" 2
81 1 19 PHE HA 1 43 VAL HA 2.582 . 3.415 1.854 1.763 1.924 . 0 0 "[ . 1]" 2
82 1 3 SER HA 1 3 SER QB 2.235 . 2.860 2.366 2.296 2.518 . 0 0 "[ . 1]" 2
83 1 19 PHE HA 1 19 PHE HB3 2.435 . 3.176 2.515 2.496 2.525 . 0 0 "[ . 1]" 2
84 1 69 HIS HA 1 69 HIS HB3 2.369 . 3.071 2.567 2.516 2.619 . 0 0 "[ . 1]" 2
85 1 19 PHE HA 1 19 PHE HB2 2.521 . 3.316 2.334 2.316 2.342 . 0 0 "[ . 1]" 2
86 1 75 GLU HA 1 75 GLU HB2 2.372 . 3.075 2.975 2.965 2.988 . 0 0 "[ . 1]" 2
87 1 75 GLU HA 1 75 GLU QG 2.010 . 2.515 2.218 2.171 2.259 . 0 0 "[ . 1]" 2
88 1 51 GLU HA 1 51 GLU QB 1.884 . 2.328 2.359 2.316 2.391 0.063 5 0 "[ . 1]" 2
89 1 56 GLN HA 1 56 GLN HG2 2.388 . 3.101 3.174 3.068 3.261 0.160 8 0 "[ . 1]" 2
90 1 75 GLU HA 1 75 GLU HB3 2.036 . 2.554 2.622 2.598 2.642 0.088 1 0 "[ . 1]" 2
91 1 82 LYS HA 1 82 LYS HB2 1.912 . 2.369 2.553 2.525 2.568 0.199 6 0 "[ . 1]" 2
92 1 15 LYS HA 1 15 LYS HB2 2.131 . 2.699 2.661 2.626 2.701 0.002 5 0 "[ . 1]" 2
93 1 56 GLN HA 1 56 GLN HB3 2.300 . 2.961 3.009 3.003 3.015 0.054 2 0 "[ . 1]" 2
94 1 81 LEU HA 1 81 LEU HB3 2.088 . 2.633 2.453 2.408 2.480 . 0 0 "[ . 1]" 2
95 1 81 LEU HA 1 81 LEU MD2 1.926 . 2.390 2.143 2.073 2.211 . 0 0 "[ . 1]" 2
96 1 79 LEU HA 1 79 LEU QD 1.907 . 2.362 1.892 1.862 1.983 . 0 0 "[ . 1]" 2
97 1 40 VAL MG2 1 56 GLN HA 2.164 . 2.749 2.512 2.377 2.624 . 0 0 "[ . 1]" 2
98 1 64 ASN H 1 64 ASN HA 2.479 . 3.247 2.278 2.274 2.285 . 0 0 "[ . 1]" 2
99 1 86 LYS HA 1 87 VAL H 1.944 . 2.416 2.500 2.467 2.537 0.121 9 0 "[ . 1]" 2
100 1 58 ASP HA 1 59 LEU H 2.592 . 3.432 2.254 2.199 2.313 . 0 0 "[ . 1]" 2
101 1 64 ASN HA 1 88 ALA H 2.494 . 3.271 3.089 2.961 3.261 . 0 0 "[ . 1]" 2
102 1 94 LEU HA 1 95 GLU H 2.356 . 3.050 2.376 2.308 2.430 . 0 0 "[ . 1]" 2
103 1 54 LEU HA 1 55 ARG H 2.019 . 2.529 2.082 2.059 2.116 . 0 0 "[ . 1]" 2
104 1 17 TYR QE 1 86 LYS HA 2.635 . 3.503 2.180 1.995 2.363 . 0 0 "[ . 1]" 2
105 1 11 HIS HA 1 11 HIS HB2 2.418 . 3.149 2.497 2.457 2.567 . 0 0 "[ . 1]" 2
106 1 64 ASN HA 1 64 ASN QB 2.290 . 2.945 2.525 2.479 2.538 . 0 0 "[ . 1]" 2
107 1 85 ASN HA 1 85 ASN QB 2.406 . 3.130 2.176 2.162 2.180 . 0 0 "[ . 1]" 2
108 1 45 ASP HA 1 45 ASP QB 2.110 . 2.667 2.186 2.181 2.189 . 0 0 "[ . 1]" 2
109 1 62 HIS HA 1 62 HIS HB3 2.494 . 3.271 2.476 2.449 2.529 . 0 0 "[ . 1]" 2
110 1 34 TYR HA 1 34 TYR HB2 2.661 . 3.546 2.458 2.382 2.507 . 0 0 "[ . 1]" 2
111 1 95 GLU HA 1 95 GLU HB2 2.304 . 2.967 2.375 2.351 2.411 . 0 0 "[ . 1]" 2
112 1 44 GLU HA 1 44 GLU QG 2.359 . 3.054 2.286 2.171 2.422 . 0 0 "[ . 1]" 2
113 1 86 LYS HA 1 86 LYS HB3 2.316 . 2.986 2.380 2.347 2.405 . 0 0 "[ . 1]" 2
114 1 34 TYR HA 1 34 TYR HB3 2.602 . 3.448 2.456 2.410 2.524 . 0 0 "[ . 1]" 2
115 1 11 HIS HA 1 86 LYS HB3 2.637 . 3.506 2.281 2.087 2.426 . 0 0 "[ . 1]" 2
116 1 95 GLU HA 1 95 GLU HB3 2.167 . 2.754 2.533 2.503 2.554 . 0 0 "[ . 1]" 2
117 1 5 ARG HA 1 5 ARG QB 2.323 . 2.997 2.410 2.395 2.431 . 0 0 "[ . 1]" 2
118 1 55 ARG HA 1 55 ARG QB 2.159 . 2.742 2.176 2.156 2.184 . 0 0 "[ . 1]" 2
119 1 86 LYS HA 1 86 LYS HB2 2.290 . 2.945 2.467 2.434 2.498 . 0 0 "[ . 1]" 2
120 1 71 LEU HA 1 71 LEU HB3 2.528 . 3.327 2.505 2.480 2.537 . 0 0 "[ . 1]" 2
121 1 64 ASN HA 1 88 ALA MB 2.297 . 2.957 2.034 1.929 2.278 . 0 0 "[ . 1]" 2
122 1 49 ALA HA 1 49 ALA MB 1.995 . 2.493 2.076 2.069 2.082 . 0 0 "[ . 1]" 2
123 1 12 ARG HA 1 12 ARG HB2 2.076 . 2.615 2.507 2.465 2.603 . 0 0 "[ . 1]" 2
124 1 71 LEU HA 1 71 LEU QD 2.346 . 3.034 2.017 1.983 2.061 . 0 0 "[ . 1]" 2
125 1 10 ILE MG 1 49 ALA HA 2.173 . 2.763 2.672 2.490 2.787 0.024 6 0 "[ . 1]" 2
126 1 62 HIS HA 1 68 VAL QG 2.195 . 2.797 2.400 2.231 2.514 . 0 0 "[ . 1]" 2
127 1 39 MET HA 1 59 LEU QD 2.572 . 3.399 3.444 3.398 3.486 0.087 8 0 "[ . 1]" 2
128 1 54 LEU HA 1 54 LEU MD2 2.113 . 2.671 2.460 2.209 2.814 0.143 9 0 "[ . 1]" 2
129 1 21 LEU HA 1 22 ARG H 2.355 . 3.048 2.278 2.247 2.311 . 0 0 "[ . 1]" 2
130 1 66 GLU HA 1 66 GLU HB3 2.575 . 3.404 2.966 2.917 2.995 . 0 0 "[ . 1]" 2
131 1 93 PRO HD2 1 93 PRO HG3 2.198 . 2.802 2.951 2.943 2.957 0.155 5 0 "[ . 1]" 2
132 1 21 LEU HA 1 21 LEU HB3 2.509 . 3.296 2.972 2.952 2.988 . 0 0 "[ . 1]" 2
133 1 52 ALA HA 1 52 ALA MB 1.975 . 2.462 2.119 2.107 2.130 . 0 0 "[ . 1]" 2
134 1 13 ALA HA 1 13 ALA MB 2.147 . 2.723 2.129 2.122 2.135 . 0 0 "[ . 1]" 2
135 1 21 LEU HA 1 21 LEU MD1 2.351 . 3.042 1.751 1.735 1.778 . 0 0 "[ . 1]" 2
136 1 59 LEU HA 1 60 ILE MD 2.545 . 3.355 2.832 2.770 2.937 . 0 0 "[ . 1]" 2
137 1 6 PRO HD3 1 93 PRO HD2 2.068 . 2.603 2.772 2.743 2.816 0.213 2 0 "[ . 1]" 2
138 1 67 PRO HD2 1 67 PRO QG 2.271 . 2.916 2.175 2.166 2.184 . 0 0 "[ . 1]" 2
139 1 67 PRO HD3 1 67 PRO QG 2.244 . 2.874 2.225 2.170 2.244 . 0 0 "[ . 1]" 2
140 1 7 PRO HB3 1 88 ALA HA 2.605 . 3.453 3.561 3.535 3.579 0.126 6 0 "[ . 1]" 2
141 1 88 ALA HA 1 88 ALA MB 2.213 . 2.825 2.124 2.120 2.128 . 0 0 "[ . 1]" 2
142 1 9 ILE MD 1 88 ALA HA 2.543 . 3.351 2.110 2.063 2.174 . 0 0 "[ . 1]" 2
143 1 21 LEU H 1 21 LEU HB2 2.643 . 3.516 2.433 2.395 2.507 . 0 0 "[ . 1]" 2
144 1 57 GLY H 1 57 GLY HA3 2.565 . 3.388 2.910 2.895 2.920 . 0 0 "[ . 1]" 2
145 1 57 GLY H 1 57 GLY HA2 2.517 . 3.309 2.342 2.331 2.352 . 0 0 "[ . 1]" 2
146 1 53 GLY HA3 1 54 LEU H 2.547 . 3.358 3.193 3.130 3.248 . 0 0 "[ . 1]" 2
147 1 53 GLY H 1 53 GLY HA3 2.238 . 2.864 2.939 2.933 2.946 0.082 2 0 "[ . 1]" 2
148 1 54 LEU HA 1 54 LEU HB3 2.640 . 3.511 2.978 2.959 3.005 . 0 0 "[ . 1]" 2
149 1 54 LEU HA 1 54 LEU HB2 2.673 . 3.566 2.630 2.563 2.669 . 0 0 "[ . 1]" 2
150 1 5 ARG QD 1 5 ARG HG2 1.948 . 2.422 2.319 2.268 2.377 . 0 0 "[ . 1]" 2
151 1 55 ARG QD 1 55 ARG HG2 2.050 . 2.575 2.364 2.323 2.415 . 0 0 "[ . 1]" 2
152 1 12 ARG HB3 1 12 ARG HD2 2.464 . 3.223 3.145 3.090 3.240 0.017 8 0 "[ . 1]" 2
153 1 12 ARG HB3 1 12 ARG HD3 2.256 . 2.892 2.473 2.416 2.570 . 0 0 "[ . 1]" 2
154 1 8 ILE MG 1 53 GLY HA2 2.726 . 3.655 3.678 3.648 3.713 0.058 2 0 "[ . 1]" 2
155 1 8 ILE MG 1 53 GLY HA3 2.764 . 3.719 2.419 2.345 2.497 . 0 0 "[ . 1]" 2
156 1 12 ARG HD2 1 12 ARG HG3 2.396 . 3.113 2.406 2.382 2.427 . 0 0 "[ . 1]" 2
157 1 12 ARG HD3 1 12 ARG HG3 2.434 . 3.174 3.006 3.000 3.009 . 0 0 "[ . 1]" 2
158 1 25 ARG HB3 1 25 ARG HD3 2.610 . 3.462 3.097 2.431 3.628 0.166 1 0 "[ . 1]" 2
159 1 54 LEU HB2 1 54 LEU MD1 2.401 . 3.122 2.348 2.251 2.412 . 0 0 "[ . 1]" 2
160 1 89 ILE H 1 89 ILE HB 2.429 . 3.166 2.944 2.881 3.018 . 0 0 "[ . 1]" 2
161 1 81 LEU H 1 81 LEU HB2 2.396 . 3.113 2.565 2.512 2.677 . 0 0 "[ . 1]" 2
162 1 94 LEU H 1 94 LEU HB2 2.541 . 3.348 3.237 3.063 3.318 . 0 0 "[ . 1]" 2
163 1 79 LEU HB2 1 80 ILE H 2.615 . 3.470 3.244 3.208 3.333 . 0 0 "[ . 1]" 2
164 1 79 LEU H 1 79 LEU HB2 2.257 . 2.894 2.067 2.056 2.094 . 0 0 "[ . 1]" 2
165 1 79 LEU H 1 79 LEU HB3 2.452 . 3.204 3.201 3.141 3.227 0.023 2 0 "[ . 1]" 2
166 1 19 PHE HB3 1 19 PHE QD 2.670 . 3.561 2.545 2.518 2.582 . 0 0 "[ . 1]" 2
167 1 17 TYR HB2 1 19 PHE QD 2.412 . 3.139 2.339 2.192 2.422 . 0 0 "[ . 1]" 2
168 1 17 TYR HB3 1 19 PHE QD 2.513 . 3.303 2.842 2.484 3.061 . 0 0 "[ . 1]" 2
169 1 79 LEU HA 1 79 LEU HB3 2.454 . 3.207 2.906 2.888 2.935 . 0 0 "[ . 1]" 2
170 1 82 LYS HB3 1 82 LYS QE 2.342 . 3.028 2.685 2.544 2.780 . 0 0 "[ . 1]" 2
171 1 86 LYS HD3 1 86 LYS QE 2.007 . 2.511 2.170 2.164 2.174 . 0 0 "[ . 1]" 2
172 1 86 LYS QE 1 86 LYS HG2 2.223 . 2.841 2.476 2.383 2.575 . 0 0 "[ . 1]" 2
173 1 79 LEU QD 1 82 LYS QE 2.570 . 3.396 2.367 2.155 2.762 . 0 0 "[ . 1]" 2
174 1 86 LYS QE 1 86 LYS HG3 2.251 . 2.884 2.879 2.694 2.943 0.059 10 0 "[ . 1]" 2
175 1 40 VAL MG1 1 58 ASP HB2 2.538 . 3.343 2.957 2.873 3.026 . 0 0 "[ . 1]" 2
176 1 58 ASP HB3 1 91 THR MG 2.692 . 3.598 2.389 2.330 2.470 . 0 0 "[ . 1]" 2
177 1 58 ASP HB3 1 60 ILE MD 2.748 . 3.692 3.684 3.619 3.718 0.026 7 0 "[ . 1]" 2
178 1 59 LEU QB 1 92 THR MG 2.499 . 3.280 1.821 1.745 1.851 . 0 0 "[ . 1]" 2
179 1 71 LEU HB2 1 71 LEU QD 2.138 . 2.709 2.345 2.320 2.379 . 0 0 "[ . 1]" 2
180 1 81 LEU HB2 1 81 LEU MD1 2.072 . 2.609 2.298 2.271 2.319 . 0 0 "[ . 1]" 2
181 1 89 ILE HB 1 89 ILE HG13 2.377 . 3.083 2.559 2.531 2.593 . 0 0 "[ . 1]" 2
182 1 71 LEU HB3 1 71 LEU QD 2.088 . 2.633 2.107 2.075 2.129 . 0 0 "[ . 1]" 2
183 1 89 ILE HB 1 89 ILE MD 2.210 . 2.820 2.347 2.306 2.379 . 0 0 "[ . 1]" 2
184 1 94 LEU HB2 1 94 LEU MD1 1.998 . 2.497 2.053 1.900 2.147 . 0 0 "[ . 1]" 2
185 1 80 ILE HB 1 81 LEU H 2.464 . 3.223 2.503 2.473 2.552 . 0 0 "[ . 1]" 2
186 1 60 ILE H 1 60 ILE HB 2.558 . 3.376 2.460 2.434 2.487 . 0 0 "[ . 1]" 2
187 1 9 ILE HB 1 9 ILE HG12 2.066 . 2.599 2.505 2.467 2.534 . 0 0 "[ . 1]" 2
188 1 80 ILE HB 1 80 ILE MG 1.952 . 2.428 2.110 2.104 2.117 . 0 0 "[ . 1]" 2
189 1 60 ILE HB 1 60 ILE MG 1.969 . 2.454 2.130 2.128 2.133 . 0 0 "[ . 1]" 2
190 1 8 ILE HB 1 8 ILE MG 1.853 . 2.282 2.120 2.104 2.124 . 0 0 "[ . 1]" 2
191 1 9 ILE H 1 9 ILE HB 2.163 . 2.748 2.817 2.808 2.835 0.087 9 0 "[ . 1]" 2
192 1 51 GLU H 1 51 GLU HG3 2.585 . 3.420 3.034 2.394 3.487 0.067 4 0 "[ . 1]" 2
193 1 64 ASN QB 1 64 ASN HD21 2.301 . 2.963 2.162 2.139 2.202 . 0 0 "[ . 1]" 2
194 1 66 GLU HG2 1 79 LEU QD 2.632 . 3.498 2.473 2.190 2.722 . 0 0 "[ . 1]" 2
195 1 55 ARG H 1 55 ARG QB 2.359 . 3.054 2.842 2.761 3.022 . 0 0 "[ . 1]" 2
196 1 55 ARG QB 1 55 ARG QD 2.365 . 3.064 2.452 2.301 2.548 . 0 0 "[ . 1]" 2
197 1 56 GLN HB3 1 56 GLN HG2 1.994 . 2.491 2.299 2.263 2.361 . 0 0 "[ . 1]" 2
198 1 20 THR MG 1 41 TRP HB2 2.649 . 3.526 2.696 2.572 2.839 . 0 0 "[ . 1]" 2
199 1 7 PRO HB2 1 88 ALA MB 2.454 . 3.207 1.989 1.910 2.041 . 0 0 "[ . 1]" 2
200 1 10 ILE MG 1 48 PRO HB2 2.449 . 3.198 3.227 3.181 3.282 0.084 2 0 "[ . 1]" 2
201 1 33 VAL HB 1 33 VAL MG1 1.864 . 2.298 2.124 2.109 2.129 . 0 0 "[ . 1]" 2
202 1 93 PRO HB3 1 94 LEU MD1 2.089 . 2.634 2.737 2.701 2.784 0.150 1 0 "[ . 1]" 2
203 1 37 HIS HB2 1 59 LEU QD 2.423 . 3.157 3.170 3.080 3.236 0.079 1 0 "[ . 1]" 2
204 1 40 VAL H 1 40 VAL HB 2.420 . 3.152 2.831 2.780 2.889 . 0 0 "[ . 1]" 2
205 1 11 HIS H 1 11 HIS HB2 2.519 . 3.312 3.227 3.145 3.322 0.010 1 0 "[ . 1]" 2
206 1 66 GLU H 1 66 GLU HB3 2.449 . 3.198 3.054 2.920 3.222 0.024 9 0 "[ . 1]" 2
207 1 76 VAL HB 1 77 VAL H 2.484 . 3.255 3.424 3.375 3.484 0.229 4 0 "[ . 1]" 2
208 1 80 ILE H 1 80 ILE HG13 2.552 . 3.366 2.557 2.478 2.650 . 0 0 "[ . 1]" 2
209 1 75 GLU HB2 1 76 VAL H 2.558 . 3.376 2.833 2.763 2.886 . 0 0 "[ . 1]" 2
210 1 78 GLU HB3 1 79 LEU H 2.513 . 3.303 3.307 3.096 3.363 0.060 8 0 "[ . 1]" 2
211 1 5 ARG QB 1 5 ARG QD 2.580 . 3.412 2.215 2.180 2.243 . 0 0 "[ . 1]" 2
212 1 6 PRO HB2 1 6 PRO HG2 1.914 . 2.372 2.296 2.285 2.303 . 0 0 "[ . 1]" 2
213 1 28 MET HB2 1 28 MET QG 1.877 . 2.318 2.205 2.122 2.294 . 0 0 "[ . 1]" 2
214 1 71 LEU HB3 1 75 GLU HB2 2.629 . 3.493 2.262 2.189 2.388 . 0 0 "[ . 1]" 2
215 1 21 LEU MD1 1 38 HIS HB3 2.495 . 3.273 2.107 2.047 2.258 . 0 0 "[ . 1]" 2
216 1 38 HIS HB3 1 60 ILE MD 2.643 . 3.516 3.461 3.263 3.558 0.042 4 0 "[ . 1]" 2
217 1 40 VAL HB 1 60 ILE MD 1.976 . 2.464 2.498 2.468 2.523 0.059 6 0 "[ . 1]" 2
218 1 12 ARG HB3 1 12 ARG HG2 2.532 . 3.333 2.397 2.351 2.419 . 0 0 "[ . 1]" 2
219 1 12 ARG HB2 1 12 ARG HG2 2.532 . 3.333 3.004 2.999 3.008 . 0 0 "[ . 1]" 2
220 1 39 MET QG 1 59 LEU QD 2.597 . 3.440 2.185 1.900 3.463 0.023 7 0 "[ . 1]" 2
221 1 68 VAL HB 1 68 VAL QG 1.926 . 2.390 1.894 1.891 1.896 . 0 0 "[ . 1]" 2
222 1 68 VAL HB 1 76 VAL MG1 2.336 . 3.018 2.275 2.111 2.581 . 0 0 "[ . 1]" 2
223 1 78 GLU HA 1 78 GLU HB2 2.426 . 3.162 2.991 2.976 3.002 . 0 0 "[ . 1]" 2
224 1 78 GLU HA 1 78 GLU HB3 2.409 . 3.134 2.599 2.577 2.643 . 0 0 "[ . 1]" 2
225 1 6 PRO HD3 1 6 PRO HG3 2.530 . 3.330 2.309 2.300 2.320 . 0 0 "[ . 1]" 2
226 1 48 PRO HB2 1 48 PRO HG3 2.536 . 3.340 2.999 2.996 3.005 . 0 0 "[ . 1]" 2
227 1 82 LYS QD 1 82 LYS QE 2.122 . 2.685 2.078 2.027 2.092 . 0 0 "[ . 1]" 2
228 1 86 LYS HD2 1 86 LYS QE 2.332 . 3.012 2.362 2.324 2.403 . 0 0 "[ . 1]" 2
229 1 8 ILE HB 1 8 ILE HG12 2.220 . 2.836 2.969 2.891 3.018 0.182 4 0 "[ . 1]" 2
230 1 21 LEU HB3 1 21 LEU MD2 2.076 . 2.615 2.714 2.673 2.744 0.129 2 0 "[ . 1]" 2
231 1 9 ILE MD 1 9 ILE HG13 2.188 . 2.787 2.117 2.115 2.120 . 0 0 "[ . 1]" 2
232 1 21 LEU MD1 1 22 ARG H 2.549 . 3.361 2.981 2.807 3.109 . 0 0 "[ . 1]" 2
233 1 55 ARG QD 1 55 ARG HG3 2.287 . 2.941 2.172 2.166 2.179 . 0 0 "[ . 1]" 2
234 1 16 LYS QE 1 16 LYS HG3 2.626 . 3.488 2.521 2.324 3.228 . 0 0 "[ . 1]" 2
235 1 15 LYS QD 1 15 LYS HG3 1.806 . 2.214 2.174 2.162 2.178 . 0 0 "[ . 1]" 2
236 1 21 LEU MD1 1 60 ILE QG 2.370 . 3.072 2.542 2.444 2.742 . 0 0 "[ . 1]" 2
237 1 21 LEU MD1 1 21 LEU HG 2.180 . 2.774 2.126 2.121 2.128 . 0 0 "[ . 1]" 2
238 1 21 LEU HB3 1 21 LEU HG 2.076 . 2.615 2.235 2.224 2.257 . 0 0 "[ . 1]" 2
239 1 81 LEU HB3 1 81 LEU MD1 2.033 . 2.550 2.417 2.370 2.453 . 0 0 "[ . 1]" 2
240 1 54 LEU HB3 1 54 LEU MD1 1.970 . 2.455 2.372 2.310 2.488 0.033 8 0 "[ . 1]" 2
241 1 54 LEU MD1 1 54 LEU MD2 1.846 . 2.272 2.062 2.057 2.066 . 0 0 "[ . 1]" 2
242 1 54 LEU MD1 1 54 LEU HG 2.273 . 2.919 2.124 2.122 2.127 . 0 0 "[ . 1]" 2
243 1 20 THR MG 1 21 LEU H 2.454 . 3.207 3.016 2.946 3.095 . 0 0 "[ . 1]" 2
244 1 40 VAL MG2 1 41 TRP H 2.332 . 3.012 3.077 3.047 3.094 0.082 9 0 "[ . 1]" 2
245 1 81 LEU H 1 81 LEU MD2 2.530 . 3.330 3.245 3.006 3.352 0.022 10 0 "[ . 1]" 2
246 1 74 THR H 1 74 THR MG 2.387 . 3.099 1.850 1.737 1.966 . 0 0 "[ . 1]" 2
247 1 54 LEU MD2 1 55 ARG H 2.437 . 3.179 2.270 2.044 2.618 . 0 0 "[ . 1]" 2
248 1 77 VAL H 1 77 VAL MG2 2.075 . 2.613 1.987 1.833 2.104 . 0 0 "[ . 1]" 2
249 1 76 VAL H 1 76 VAL MG1 2.247 . 2.878 2.473 2.398 2.559 . 0 0 "[ . 1]" 2
250 1 34 TYR QD 1 36 VAL QG 2.325 . 3.001 2.725 2.456 2.913 . 0 0 "[ . 1]" 2
251 1 72 VAL HB 1 72 VAL MG2 2.102 . 2.654 2.120 2.112 2.125 . 0 0 "[ . 1]" 2
252 1 40 VAL HB 1 40 VAL MG2 2.071 . 2.607 2.118 2.112 2.124 . 0 0 "[ . 1]" 2
253 1 77 VAL HB 1 77 VAL MG1 1.751 . 2.134 2.117 2.099 2.124 . 0 0 "[ . 1]" 2
254 1 43 VAL HB 1 43 VAL MG1 1.877 . 2.317 2.104 2.100 2.110 . 0 0 "[ . 1]" 2
255 1 77 VAL HB 1 77 VAL MG2 1.982 . 2.473 2.113 2.095 2.129 . 0 0 "[ . 1]" 2
256 1 76 VAL HB 1 76 VAL MG2 1.990 . 2.485 2.092 2.086 2.099 . 0 0 "[ . 1]" 2
257 1 76 VAL HB 1 76 VAL MG1 2.132 . 2.700 2.115 2.111 2.117 . 0 0 "[ . 1]" 2
258 1 81 LEU HB3 1 81 LEU MD2 1.835 . 2.256 2.294 2.275 2.306 0.050 2 0 "[ . 1]" 2
259 1 54 LEU HB3 1 54 LEU MD2 1.906 . 2.360 2.372 2.220 2.453 0.093 4 0 "[ . 1]" 2
260 1 21 LEU HB3 1 77 VAL MG2 2.340 . 3.024 2.890 2.851 2.932 . 0 0 "[ . 1]" 2
261 1 71 LEU HB3 1 76 VAL MG1 2.416 . 3.146 2.682 2.561 2.813 . 0 0 "[ . 1]" 2
262 1 77 VAL MG1 1 77 VAL MG2 1.904 . 2.357 2.074 1.985 2.097 . 0 0 "[ . 1]" 2
263 1 71 LEU QD 1 76 VAL MG1 1.884 . 2.327 2.207 2.146 2.294 . 0 0 "[ . 1]" 2
264 1 40 VAL MG2 1 54 LEU MD1 2.468 . 3.229 2.625 2.483 2.743 . 0 0 "[ . 1]" 2
265 1 40 VAL H 1 40 VAL MG1 2.306 . 2.971 1.829 1.665 1.981 . 0 0 "[ . 1]" 2
266 1 10 ILE MG 1 11 HIS H 2.343 . 3.029 1.882 1.813 1.930 . 0 0 "[ . 1]" 2
267 1 87 VAL H 1 87 VAL MG1 2.197 . 2.800 2.708 2.654 2.746 . 0 0 "[ . 1]" 2
268 1 52 ALA H 1 52 ALA MB 1.929 . 2.394 2.164 2.117 2.211 . 0 0 "[ . 1]" 2
269 1 88 ALA H 1 88 ALA MB 2.167 . 2.754 2.294 2.274 2.310 . 0 0 "[ . 1]" 2
270 1 33 VAL MG2 1 34 TYR H 2.426 . 3.162 2.583 2.312 2.797 . 0 0 "[ . 1]" 2
271 1 52 ALA MB 1 53 GLY H 2.592 . 3.432 2.837 2.754 2.900 . 0 0 "[ . 1]" 2
272 1 10 ILE HA 1 52 ALA MB 2.376 . 3.082 2.443 2.308 2.617 . 0 0 "[ . 1]" 2
273 1 49 ALA HA 1 52 ALA MB 2.521 . 3.316 2.275 2.145 2.416 . 0 0 "[ . 1]" 2
274 1 19 PHE HB3 1 49 ALA MB 2.501 . 3.283 2.387 2.360 2.425 . 0 0 "[ . 1]" 2
275 1 13 ALA MB 1 48 PRO HG3 2.640 . 3.511 3.508 3.351 3.559 0.048 9 0 "[ . 1]" 2
276 1 40 VAL HB 1 40 VAL MG1 2.096 . 2.645 2.110 2.084 2.123 . 0 0 "[ . 1]" 2
277 1 10 ILE MG 1 48 PRO HB3 2.515 . 3.306 2.416 2.318 2.557 . 0 0 "[ . 1]" 2
278 1 5 ARG HG2 1 61 THR MG 2.295 . 2.953 2.167 2.112 2.280 . 0 0 "[ . 1]" 2
279 1 7 PRO QG 1 88 ALA MB 2.198 . 2.802 2.946 2.918 2.967 0.165 4 0 "[ . 1]" 2
280 1 63 VAL HB 1 63 VAL MG2 1.891 . 2.338 2.110 2.093 2.126 . 0 0 "[ . 1]" 2
281 1 87 VAL HB 1 87 VAL MG1 2.136 . 2.706 2.122 2.116 2.127 . 0 0 "[ . 1]" 2
282 1 72 VAL MG1 1 74 THR MG 2.188 . 2.787 2.851 2.801 2.873 0.086 7 0 "[ . 1]" 2
283 1 10 ILE HB 1 10 ILE MG 1.849 . 2.276 2.113 2.105 2.125 . 0 0 "[ . 1]" 2
284 1 10 ILE HB 1 87 VAL MG1 2.045 . 2.568 2.555 2.474 2.596 0.028 3 0 "[ . 1]" 2
285 1 9 ILE MD 1 88 ALA MB 2.083 . 2.626 2.005 1.965 2.053 . 0 0 "[ . 1]" 2
286 1 43 VAL MG2 1 49 ALA MB 2.013 . 2.519 1.790 1.758 1.854 . 0 0 "[ . 1]" 2
287 1 87 VAL MG1 1 87 VAL MG2 1.827 . 2.244 2.066 2.038 2.089 . 0 0 "[ . 1]" 2
288 1 40 VAL MG1 1 54 LEU MD1 2.301 . 2.963 3.044 3.007 3.089 0.126 1 0 "[ . 1]" 2
289 1 72 VAL H 1 72 VAL MG1 2.147 . 2.723 2.636 2.466 2.739 0.016 6 0 "[ . 1]" 2
290 1 80 ILE MG 1 81 LEU H 2.649 . 3.526 2.923 2.838 3.018 . 0 0 "[ . 1]" 2
291 1 72 VAL MG1 1 74 THR H 2.568 . 3.392 1.842 1.734 1.965 0.010 1 0 "[ . 1]" 2
292 1 49 ALA H 1 49 ALA MB 2.101 . 2.653 2.019 2.007 2.031 . 0 0 "[ . 1]" 2
293 1 80 ILE H 1 80 ILE MG 2.643 . 3.516 3.664 3.646 3.678 0.162 2 0 "[ . 1]" 2
294 1 72 VAL MG1 1 75 GLU H 2.106 . 2.660 1.885 1.801 1.994 . 0 0 "[ . 1]" 2
295 1 19 PHE QD 1 49 ALA MB 2.190 . 2.789 2.450 2.372 2.559 . 0 0 "[ . 1]" 2
296 1 17 TYR QE 1 80 ILE MG 2.427 . 3.164 2.506 2.366 2.580 . 0 0 "[ . 1]" 2
297 1 19 PHE HB2 1 49 ALA MB 2.610 . 3.462 3.584 3.547 3.638 0.176 2 0 "[ . 1]" 2
298 1 72 VAL HB 1 72 VAL MG1 2.113 . 2.671 2.116 2.111 2.122 . 0 0 "[ . 1]" 2
299 1 72 VAL MG1 1 75 GLU HB2 2.440 . 3.184 2.432 2.234 2.571 . 0 0 "[ . 1]" 2
300 1 72 VAL MG1 1 75 GLU QG 2.010 . 2.515 1.925 1.844 2.047 . 0 0 "[ . 1]" 2
301 1 89 ILE HB 1 89 ILE MG 1.839 . 2.262 2.121 2.118 2.124 . 0 0 "[ . 1]" 2
302 1 80 ILE HG12 1 80 ILE MG 1.828 . 2.246 2.233 2.212 2.251 0.005 10 0 "[ . 1]" 2
303 1 9 ILE HB 1 9 ILE MG 1.870 . 2.307 2.129 2.127 2.131 . 0 0 "[ . 1]" 2
304 1 8 ILE MG 1 52 ALA MB 1.741 . 2.120 2.125 2.056 2.174 0.054 3 0 "[ . 1]" 2
305 1 8 ILE HG12 1 8 ILE MG 2.004 . 2.506 2.127 1.936 2.274 . 0 0 "[ . 1]" 2
306 1 9 ILE HG13 1 9 ILE MG 2.017 . 2.526 2.418 2.351 2.454 . 0 0 "[ . 1]" 2
307 1 10 ILE MD 1 49 ALA MB 2.144 . 2.719 2.284 2.176 2.346 . 0 0 "[ . 1]" 2
308 1 49 ALA MB 1 54 LEU MD1 2.049 . 2.574 1.971 1.894 2.027 . 0 0 "[ . 1]" 2
309 1 80 ILE H 1 80 ILE MD 2.437 . 3.179 3.158 3.026 3.205 0.026 5 0 "[ . 1]" 2
310 1 19 PHE QE 1 80 ILE MD 2.310 . 2.977 2.917 2.860 2.977 0.000 6 0 "[ . 1]" 2
311 1 10 ILE MD 1 49 ALA HA 2.590 . 3.428 3.504 3.486 3.523 0.095 3 0 "[ . 1]" 2
312 1 77 VAL HA 1 80 ILE MD 2.610 . 3.462 2.436 2.283 2.562 . 0 0 "[ . 1]" 2
313 1 80 ILE MD 1 80 ILE HG12 1.767 . 2.157 2.111 2.108 2.114 . 0 0 "[ . 1]" 2
314 1 24 ILE MD 1 24 ILE QG 2.097 . 2.647 1.887 1.881 1.890 . 0 0 "[ . 1]" 2
315 1 10 ILE HB 1 10 ILE MD 1.757 . 2.143 2.176 2.139 2.199 0.056 2 0 "[ . 1]" 2
316 1 10 ILE MD 1 10 ILE MG 1.856 . 2.286 2.413 2.363 2.489 0.203 6 0 "[ . 1]" 2
317 1 10 ILE MD 1 54 LEU MD1 2.300 . 2.961 2.559 2.322 2.807 . 0 0 "[ . 1]" 2
318 1 60 ILE QG 1 89 ILE MD 2.136 . 2.706 1.863 1.829 1.907 . 0 0 "[ . 1]" 2
319 1 8 ILE MD 1 8 ILE HG13 1.875 . 2.314 2.103 2.068 2.117 . 0 0 "[ . 1]" 2
320 1 8 ILE MD 1 8 ILE HG12 1.904 . 2.357 2.104 2.070 2.116 . 0 0 "[ . 1]" 2
321 1 19 PHE QE 1 60 ILE MD 2.590 . 3.428 3.406 3.341 3.465 0.037 8 0 "[ . 1]" 2
322 1 9 ILE MG 1 10 ILE H 2.682 . 3.581 3.309 3.221 3.403 . 0 0 "[ . 1]" 2
323 1 9 ILE MG 1 86 LYS QE 2.655 . 3.536 3.550 3.382 3.635 0.099 3 0 "[ . 1]" 2
324 1 48 PRO HB2 1 48 PRO HG2 2.454 . 3.207 2.343 2.339 2.353 . 0 0 "[ . 1]" 2
325 1 63 VAL MG2 1 79 LEU HB3 1.972 . 2.458 2.458 2.391 2.484 0.026 10 0 "[ . 1]" 2
326 1 6 PRO HD2 1 6 PRO HG3 2.530 . 3.330 2.994 2.989 2.998 . 0 0 "[ . 1]" 2
327 1 80 ILE HA 1 80 ILE HB 2.877 . 3.912 3.005 3.000 3.010 . 0 0 "[ . 1]" 2
328 1 8 ILE H 1 8 ILE HG12 2.833 . 3.836 3.282 3.177 3.388 . 0 0 "[ . 1]" 2
329 1 55 ARG H 1 55 ARG HG3 2.772 . 3.732 1.881 1.750 2.025 0.062 10 0 "[ . 1]" 2
330 1 55 ARG H 1 55 ARG HG2 2.823 . 3.819 3.173 3.053 3.386 . 0 0 "[ . 1]" 2
331 1 10 ILE HB 1 87 VAL H 2.837 . 3.843 3.396 3.252 3.485 . 0 0 "[ . 1]" 2
332 1 81 LEU HB2 1 82 LYS H 2.772 . 3.732 2.657 2.570 2.780 . 0 0 "[ . 1]" 2
333 1 81 LEU HA 1 81 LEU HB2 2.814 . 3.804 3.020 3.015 3.024 . 0 0 "[ . 1]" 2
334 1 78 GLU HA 1 81 LEU HB2 2.726 . 3.655 2.604 2.491 2.779 . 0 0 "[ . 1]" 2
335 1 81 LEU HB3 1 82 LYS H 2.877 . 3.912 3.730 3.622 3.807 . 0 0 "[ . 1]" 2
336 1 19 PHE HB3 1 54 LEU MD1 2.810 . 3.797 2.972 2.826 3.081 . 0 0 "[ . 1]" 2
337 1 19 PHE HB3 1 20 THR H 2.862 . 3.886 3.893 3.851 3.939 0.053 2 0 "[ . 1]" 2
338 1 17 TYR HB2 1 49 ALA MB 2.801 . 3.782 3.888 3.839 3.924 0.142 9 0 "[ . 1]" 2
339 1 10 ILE MG 1 17 TYR HB2 2.792 . 3.767 3.297 3.224 3.448 . 0 0 "[ . 1]" 2
340 1 58 ASP H 1 58 ASP HB2 2.847 . 3.860 2.631 2.334 3.004 . 0 0 "[ . 1]" 2
341 1 58 ASP H 1 58 ASP HB3 2.797 . 3.775 2.993 2.904 3.154 . 0 0 "[ . 1]" 2
342 1 58 ASP HB2 1 91 THR MG 2.695 . 3.603 3.542 3.476 3.620 0.017 6 0 "[ . 1]" 2
343 1 10 ILE HG12 1 17 TYR HB3 2.741 . 3.680 3.211 3.027 3.424 . 0 0 "[ . 1]" 2
344 1 79 LEU HB3 1 80 ILE H 2.452 . 3.204 2.779 2.735 2.823 . 0 0 "[ . 1]" 2
345 1 25 ARG HB3 1 25 ARG HD2 2.745 . 3.687 2.809 2.302 3.756 0.069 8 0 "[ . 1]" 2
346 1 21 LEU HB3 1 76 VAL MG2 2.719 . 3.643 2.463 2.376 2.625 . 0 0 "[ . 1]" 2
347 1 21 LEU HB2 1 76 VAL MG2 2.276 . 2.924 3.246 3.206 3.284 0.360 8 0 "[ . 1]" 2
348 1 28 MET HA 1 28 MET QG 2.784 . 3.753 2.679 2.366 3.071 . 0 0 "[ . 1]" 2
349 1 58 ASP HA 1 58 ASP HB3 2.797 . 3.775 2.968 2.955 2.989 . 0 0 "[ . 1]" 2
350 1 11 HIS HA 1 86 LYS HA 2.686 . 3.588 2.535 2.425 2.673 . 0 0 "[ . 1]" 2
351 1 11 HIS HA 1 86 LYS HB2 2.702 . 3.615 3.144 3.075 3.223 . 0 0 "[ . 1]" 2
352 1 10 ILE MG 1 11 HIS HA 2.819 . 3.812 3.547 3.500 3.575 . 0 0 "[ . 1]" 2
353 1 79 LEU HA 1 79 LEU HB2 2.314 . 2.983 2.795 2.761 2.811 . 0 0 "[ . 1]" 2
354 1 5 ARG QD 1 5 ARG HG3 2.361 . 3.058 2.372 2.317 2.418 . 0 0 "[ . 1]" 2
355 1 7 PRO HB3 1 8 ILE H 2.695 . 3.603 3.690 3.626 3.732 0.129 10 0 "[ . 1]" 2
356 1 72 VAL H 1 75 GLU HB2 2.823 . 3.819 2.131 2.057 2.236 . 0 0 "[ . 1]" 2
357 1 73 HIS HB2 1 74 THR MG 2.682 . 3.581 3.806 3.732 3.902 0.321 2 0 "[ . 1]" 2
358 1 23 ALA MB 1 73 HIS HB3 2.768 . 3.726 3.733 3.561 3.808 0.082 5 0 "[ . 1]" 2
359 1 89 ILE MD 1 89 ILE HG13 1.833 . 2.253 2.114 2.112 2.118 . 0 0 "[ . 1]" 2
360 1 89 ILE MD 1 89 ILE HG12 1.794 . 2.196 2.109 2.106 2.113 . 0 0 "[ . 1]" 2
361 1 43 VAL HB 1 43 VAL MG2 1.804 . 2.211 2.120 2.117 2.123 . 0 0 "[ . 1]" 2
362 1 28 MET HB3 1 28 MET QG 1.904 . 2.357 2.294 2.136 2.336 . 0 0 "[ . 1]" 2
363 1 11 HIS HA 1 11 HIS HB3 2.418 . 3.149 3.037 3.031 3.041 . 0 0 "[ . 1]" 2
364 1 10 ILE HG12 1 49 ALA HA 2.266 . 2.908 1.850 1.812 1.925 . 0 0 "[ . 1]" 2
365 1 48 PRO HA 1 48 PRO HB3 2.215 . 2.828 2.289 2.273 2.304 . 0 0 "[ . 1]" 2
366 1 60 ILE MD 1 60 ILE QG 1.851 . 2.279 1.884 1.880 1.886 . 0 0 "[ . 1]" 2
367 1 8 ILE HB 1 8 ILE MD 1.875 . 2.314 2.295 2.226 2.352 0.038 2 0 "[ . 1]" 2
368 1 7 PRO HB3 1 88 ALA MB 1.878 . 2.319 2.035 1.939 2.135 . 0 0 "[ . 1]" 2
369 1 69 HIS HA 1 69 HIS HB2 2.369 . 3.071 2.994 2.980 3.008 . 0 0 "[ . 1]" 2
370 1 12 ARG HD2 1 12 ARG HG2 2.396 . 3.113 3.007 3.000 3.010 . 0 0 "[ . 1]" 2
371 1 12 ARG HD3 1 12 ARG HG2 2.434 . 3.174 2.468 2.447 2.503 . 0 0 "[ . 1]" 2
372 1 17 TYR HA 1 17 TYR HB3 2.797 . 3.775 2.392 2.380 2.401 . 0 0 "[ . 1]" 2
373 1 43 VAL MG1 1 56 GLN HA 2.667 . 3.556 2.350 2.240 2.424 . 0 0 "[ . 1]" 2
374 1 19 PHE HB2 1 43 VAL MG1 2.797 . 3.775 3.913 3.880 3.944 0.169 9 0 "[ . 1]" 2
375 1 21 LEU HG 1 76 VAL MG2 2.293 . 2.950 1.944 1.888 2.031 . 0 0 "[ . 1]" 2
376 1 10 ILE HG12 1 49 ALA MB 2.144 . 2.719 1.848 1.809 1.894 . 0 0 "[ . 1]" 2
377 1 56 GLN HA 1 56 GLN HG3 2.388 . 3.101 2.382 2.326 2.475 . 0 0 "[ . 1]" 2
378 1 56 GLN HA 1 56 GLN HB2 2.300 . 2.961 2.490 2.457 2.514 . 0 0 "[ . 1]" 2
379 1 78 GLU HA 1 78 GLU HG3 2.325 . 3.001 3.042 2.959 3.130 0.129 1 0 "[ . 1]" 2
380 1 77 VAL HA 1 80 ILE HB 2.209 . 2.819 2.851 2.826 2.874 0.055 8 0 "[ . 1]" 2
381 1 6 PRO HD2 1 6 PRO HG2 2.165 . 2.751 2.309 2.300 2.318 . 0 0 "[ . 1]" 2
382 1 6 PRO HD3 1 6 PRO HG2 1.882 . 2.325 2.616 2.607 2.635 0.310 9 0 "[ . 1]" 2
383 1 7 PRO HB3 1 7 PRO QG 2.233 . 2.856 2.181 2.178 2.185 . 0 0 "[ . 1]" 2
384 1 6 PRO HD3 1 93 PRO HG3 2.273 . 2.919 2.916 2.809 2.987 0.068 7 0 "[ . 1]" 2
385 1 12 ARG HB2 1 12 ARG HD3 2.256 . 2.892 2.872 2.783 2.919 0.027 1 0 "[ . 1]" 2
386 1 12 ARG HB2 1 12 ARG HD2 2.464 . 3.223 2.436 2.388 2.477 . 0 0 "[ . 1]" 2
387 1 80 ILE HA 1 80 ILE HG13 1.960 . 2.440 2.470 2.445 2.521 0.081 4 0 "[ . 1]" 2
388 1 76 VAL MG1 1 76 VAL MG2 1.884 . 2.327 2.061 2.051 2.072 . 0 0 "[ . 1]" 2
389 1 60 ILE HB 1 60 ILE MD 1.969 . 2.454 2.312 2.273 2.339 . 0 0 "[ . 1]" 2
390 1 9 ILE HB 1 9 ILE HG13 2.163 . 2.748 2.408 2.385 2.440 . 0 0 "[ . 1]" 2
391 1 20 THR MG 1 41 TRP HB3 2.667 . 3.556 2.327 2.225 2.452 . 0 0 "[ . 1]" 2
392 1 30 ASP HA 1 30 ASP QB 2.632 . 3.498 2.374 2.181 2.471 . 0 0 "[ . 1]" 2
393 1 15 LYS HB3 1 15 LYS HG2 2.081 . 2.622 2.369 2.295 2.413 . 0 0 "[ . 1]" 2
394 1 16 LYS QE 1 16 LYS HG2 2.626 . 3.488 2.534 2.256 3.182 . 0 0 "[ . 1]" 2
395 1 44 GLU H 1 44 GLU HA 2.776 . 3.739 2.815 2.799 2.832 . 0 0 "[ . 1]" 2
396 1 81 LEU H 1 81 LEU HG 2.365 . 3.064 2.123 1.976 2.209 . 0 0 "[ . 1]" 2
397 1 27 TYR H 1 27 TYR QD 2.965 . 4.064 2.590 2.232 4.123 0.059 9 0 "[ . 1]" 2
398 1 27 TYR HB2 1 27 TYR QD 2.651 . 3.530 2.530 2.403 2.696 . 0 0 "[ . 1]" 2
399 1 34 TYR HB2 1 34 TYR QD 2.771 . 3.731 2.403 2.331 2.517 . 0 0 "[ . 1]" 2
400 1 34 TYR HB3 1 34 TYR QD 2.707 . 3.623 2.404 2.307 2.505 . 0 0 "[ . 1]" 2
401 1 17 TYR HB2 1 17 TYR QD 2.540 . 3.347 2.429 2.398 2.466 . 0 0 "[ . 1]" 2
402 1 19 PHE HB2 1 19 PHE QD 2.578 . 3.409 2.264 2.251 2.282 . 0 0 "[ . 1]" 2
403 1 17 TYR HB3 1 17 TYR QD 2.548 . 3.359 2.373 2.354 2.391 . 0 0 "[ . 1]" 2
404 1 10 ILE MG 1 17 TYR QD 2.190 . 2.790 1.999 1.922 2.063 . 0 0 "[ . 1]" 2
405 1 19 PHE QD 1 54 LEU MD1 2.780 . 3.746 3.021 2.966 3.062 . 0 0 "[ . 1]" 2
406 1 73 HIS HD2 1 74 THR HA 3.034 . 4.185 3.527 3.128 3.740 . 0 0 "[ . 1]" 2
407 1 73 HIS HB2 1 73 HIS HD2 2.987 . 4.102 3.865 3.747 3.958 . 0 0 "[ . 1]" 2
408 1 17 TYR HB2 1 19 PHE QE 3.042 . 4.199 2.142 2.031 2.306 . 0 0 "[ . 1]" 2
409 1 17 TYR HB3 1 19 PHE QE 3.077 . 4.261 2.537 2.416 2.639 . 0 0 "[ . 1]" 2
410 1 19 PHE QE 1 80 ILE HG12 3.018 . 4.156 4.143 3.994 4.204 0.048 6 0 "[ . 1]" 2
411 1 73 HIS HD2 1 74 THR MG 2.638 . 3.508 3.045 2.248 3.558 0.050 6 0 "[ . 1]" 2
412 1 41 TRP HB3 1 41 TRP HD1 2.849 . 3.863 2.525 2.512 2.535 . 0 0 "[ . 1]" 2
413 1 41 TRP HB2 1 41 TRP HD1 2.707 . 3.623 3.484 3.434 3.567 . 0 0 "[ . 1]" 2
414 1 20 THR MG 1 41 TRP HD1 2.423 . 3.157 3.112 3.013 3.207 0.050 6 0 "[ . 1]" 2
415 1 41 TRP HB3 1 41 TRP HE3 3.087 . 4.278 4.213 4.192 4.220 . 0 0 "[ . 1]" 2
416 1 39 MET HB3 1 41 TRP HE3 2.994 . 4.115 3.849 2.852 4.156 0.041 1 0 "[ . 1]" 2
417 1 26 VAL MG1 1 37 HIS HD2 2.403 . 3.125 2.943 2.507 3.082 . 0 0 "[ . 1]" 2
418 1 12 ARG H 1 17 TYR QE 2.384 . 3.095 3.135 3.072 3.192 0.097 8 0 "[ . 1]" 2
419 1 42 HIS HD2 1 44 GLU QG 3.018 . 4.156 3.701 3.206 4.130 . 0 0 "[ . 1]" 2
420 1 68 VAL HB 1 69 HIS HD2 3.180 . 4.444 4.528 4.510 4.550 0.106 10 0 "[ . 1]" 2
421 1 62 HIS HD2 1 67 PRO QB 3.010 . 4.142 3.027 2.592 3.572 . 0 0 "[ . 1]" 2
422 1 12 ARG HB2 1 17 TYR QE 2.629 . 3.493 2.872 2.737 2.965 . 0 0 "[ . 1]" 2
423 1 34 TYR QE 1 36 VAL QG 2.099 . 2.650 2.206 1.980 2.467 . 0 0 "[ . 1]" 2
424 1 68 VAL QG 1 69 HIS HD2 2.226 . 2.845 2.099 2.036 2.132 . 0 0 "[ . 1]" 2
425 1 17 TYR QE 1 87 VAL MG1 2.513 . 3.302 2.988 2.746 3.310 0.008 3 0 "[ . 1]" 2
426 1 62 HIS HB3 1 62 HIS HD2 2.972 . 4.076 2.814 2.695 2.890 . 0 0 "[ . 1]" 2
427 1 17 TYR H 1 17 TYR QD 2.871 . 3.901 2.206 2.111 2.369 . 0 0 "[ . 1]" 2
428 1 62 HIS HD2 1 67 PRO HD3 3.328 . 4.713 2.081 1.984 2.199 . 0 0 "[ . 1]" 2
429 1 62 HIS HB2 1 62 HIS HD2 3.298 . 4.657 3.889 3.787 3.927 . 0 0 "[ . 1]" 2
430 1 11 HIS HD2 1 86 LYS HB3 3.298 . 4.657 2.170 2.047 2.382 . 0 0 "[ . 1]" 2
431 1 26 VAL H 1 37 HIS HD2 3.313 . 4.685 4.079 3.259 4.661 . 0 0 "[ . 1]" 2
432 1 39 MET HB2 1 41 TRP HZ3 3.361 . 4.773 4.350 3.428 4.887 0.114 7 0 "[ . 1]" 2
433 1 17 TYR QD 1 48 PRO HB3 3.158 . 4.404 4.447 4.206 4.530 0.126 5 0 "[ . 1]" 2
434 1 10 ILE MD 1 17 TYR QD 2.754 . 3.702 2.986 2.690 3.177 . 0 0 "[ . 1]" 2
435 1 19 PHE QE 1 21 LEU MD1 2.219 . 2.834 2.241 2.104 2.450 . 0 0 "[ . 1]" 2
436 1 19 PHE QE 1 89 ILE MD 2.219 . 2.834 2.329 2.235 2.395 . 0 0 "[ . 1]" 2
437 1 19 PHE QD 1 40 VAL MG2 2.345 . 3.032 2.348 2.288 2.440 . 0 0 "[ . 1]" 2
438 1 27 TYR HB3 1 27 TYR QD 2.651 . 3.530 2.318 2.274 2.383 . 0 0 "[ . 1]" 2
439 1 11 HIS HB2 1 11 HIS HD2 2.573 . 3.400 3.008 2.883 3.154 . 0 0 "[ . 1]" 2
440 1 73 HIS HD2 1 77 VAL MG2 2.638 . 3.508 3.239 2.601 3.601 0.093 3 0 "[ . 1]" 2
441 1 41 TRP H 1 42 HIS H 2.860 . 3.882 2.533 2.500 2.583 . 0 0 "[ . 1]" 2
442 1 21 LEU HA 1 41 TRP H 3.157 . 4.403 3.708 3.576 3.847 . 0 0 "[ . 1]" 2
443 1 40 VAL HA 1 41 TRP H 2.483 . 3.253 2.072 2.056 2.090 . 0 0 "[ . 1]" 2
444 1 41 TRP H 1 41 TRP HB3 2.848 . 3.862 2.845 2.765 2.915 . 0 0 "[ . 1]" 2
445 1 41 TRP H 1 41 TRP HB2 2.813 . 3.802 2.183 2.122 2.221 . 0 0 "[ . 1]" 2
446 1 22 ARG HB2 1 41 TRP H 3.651 . 5.317 3.062 2.937 3.286 . 0 0 "[ . 1]" 2
447 1 20 THR MG 1 41 TRP H 3.328 . 4.713 3.336 3.217 3.492 . 0 0 "[ . 1]" 2
448 1 21 LEU MD1 1 41 TRP H 3.705 . 5.421 4.287 4.144 4.425 . 0 0 "[ . 1]" 2
449 1 19 PHE QD 1 21 LEU H 3.651 . 5.317 4.485 4.311 4.591 . 0 0 "[ . 1]" 2
450 1 20 THR HA 1 21 LEU H 2.315 . 2.985 2.212 2.197 2.238 . 0 0 "[ . 1]" 2
451 1 21 LEU H 1 21 LEU HB3 2.753 . 3.700 2.957 2.894 3.026 . 0 0 "[ . 1]" 2
452 1 21 LEU H 1 21 LEU MD1 3.327 . 4.711 3.917 3.861 3.966 . 0 0 "[ . 1]" 2
453 1 21 LEU H 1 21 LEU MD2 3.130 . 4.355 4.117 4.060 4.224 . 0 0 "[ . 1]" 2
454 1 20 THR MG 1 41 TRP HE1 3.514 . 5.057 5.197 5.161 5.254 0.197 7 0 "[ . 1]" 2
455 1 22 ARG H 1 23 ALA H 3.648 . 5.312 4.588 4.504 4.639 . 0 0 "[ . 1]" 2
456 1 9 ILE H 1 89 ILE H 3.668 . 5.350 4.712 4.602 4.821 . 0 0 "[ . 1]" 2
457 1 88 ALA H 1 89 ILE H 3.380 . 4.808 4.127 4.050 4.180 . 0 0 "[ . 1]" 2
458 1 23 ALA H 1 24 ILE H 3.610 . 5.239 4.533 4.464 4.601 . 0 0 "[ . 1]" 2
459 1 63 VAL H 1 64 ASN H 3.255 . 4.579 4.024 3.962 4.117 . 0 0 "[ . 1]" 2
460 1 8 ILE H 1 9 ILE H 3.024 . 4.167 4.302 4.282 4.329 0.162 3 0 "[ . 1]" 2
461 1 87 VAL H 1 88 ALA H 3.322 . 4.702 4.280 4.254 4.307 . 0 0 "[ . 1]" 2
462 1 64 ASN H 1 65 GLY H 3.155 . 4.400 2.680 2.630 2.736 . 0 0 "[ . 1]" 2
463 1 64 ASN H 1 88 ALA H 3.024 . 4.167 3.470 3.389 3.560 . 0 0 "[ . 1]" 2
464 1 88 ALA H 1 88 ALA HA 2.851 . 3.867 2.927 2.919 2.934 . 0 0 "[ . 1]" 2
465 1 22 ARG HA 1 23 ALA H 2.341 . 3.026 2.221 2.172 2.292 . 0 0 "[ . 1]" 2
466 1 87 VAL HA 1 88 ALA H 2.131 . 2.699 2.210 2.184 2.232 . 0 0 "[ . 1]" 2
467 1 83 SER HB2 1 88 ALA H 3.574 . 5.171 4.668 4.591 4.922 . 0 0 "[ . 1]" 2
468 1 64 ASN H 1 64 ASN QB 2.791 . 3.765 2.990 2.913 3.071 . 0 0 "[ . 1]" 2
469 1 64 ASN QB 1 88 ALA H 3.501 . 5.033 3.648 3.281 3.888 . 0 0 "[ . 1]" 2
470 1 63 VAL HB 1 64 ASN H 3.334 . 4.724 4.324 4.277 4.375 . 0 0 "[ . 1]" 2
471 1 22 ARG QD 1 23 ALA H 3.562 . 5.148 3.596 3.377 3.762 . 0 0 "[ . 1]" 2
472 1 87 VAL HB 1 88 ALA H 2.871 . 3.902 3.998 3.983 4.018 0.116 9 0 "[ . 1]" 2
473 1 64 ASN H 1 88 ALA MB 2.637 . 3.506 2.612 2.514 2.669 . 0 0 "[ . 1]" 2
474 1 64 ASN H 1 87 VAL MG2 3.119 . 4.335 3.296 3.181 3.422 . 0 0 "[ . 1]" 2
475 1 9 ILE H 1 9 ILE HG13 2.724 . 3.652 3.399 3.347 3.443 . 0 0 "[ . 1]" 2
476 1 87 VAL MG2 1 88 ALA H 2.322 . 2.996 2.077 2.022 2.147 . 0 0 "[ . 1]" 2
477 1 63 VAL MG2 1 64 ASN H 2.483 . 3.253 2.866 2.610 3.070 . 0 0 "[ . 1]" 2
478 1 8 ILE MG 1 9 ILE H 2.370 . 3.072 3.038 2.982 3.090 0.018 7 0 "[ . 1]" 2
479 1 87 VAL MG1 1 88 ALA H 3.001 . 4.126 3.629 3.547 3.683 . 0 0 "[ . 1]" 2
480 1 26 VAL HA 1 27 TYR H 2.705 . 3.620 2.200 2.116 2.741 . 0 0 "[ . 1]" 2
481 1 27 TYR H 1 27 TYR HB3 2.989 . 4.105 3.553 3.519 3.603 . 0 0 "[ . 1]" 2
482 1 26 VAL MG2 1 27 TYR H 3.067 . 4.243 4.116 2.922 4.295 0.052 7 0 "[ . 1]" 2
483 1 26 VAL MG1 1 27 TYR H 3.351 . 4.755 3.854 3.386 3.979 . 0 0 "[ . 1]" 2
484 1 36 VAL H 1 37 HIS H 3.125 . 4.345 4.236 4.118 4.388 0.043 4 0 "[ . 1]" 2
485 1 10 ILE H 1 88 ALA H 3.604 . 5.228 5.136 5.077 5.210 . 0 0 "[ . 1]" 2
486 1 22 ARG H 1 41 TRP HE3 3.683 . 5.379 4.867 4.140 5.270 . 0 0 "[ . 1]" 2
487 1 11 HIS H 1 17 TYR QD 2.885 . 3.926 3.903 3.787 3.956 0.030 9 0 "[ . 1]" 2
488 1 37 HIS H 1 37 HIS HD2 3.225 . 4.525 4.123 3.373 4.550 0.025 2 0 "[ . 1]" 2
489 1 11 HIS H 1 17 TYR QE 3.660 . 5.334 5.275 4.999 5.415 0.081 10 0 "[ . 1]" 2
490 1 88 ALA HA 1 89 ILE H 2.161 . 2.745 2.234 2.211 2.253 . 0 0 "[ . 1]" 2
491 1 39 MET HA 1 40 VAL H 2.635 . 3.503 2.229 2.193 2.255 . 0 0 "[ . 1]" 2
492 1 11 HIS H 1 11 HIS HA 2.717 . 3.640 2.914 2.905 2.923 . 0 0 "[ . 1]" 2
493 1 8 ILE HA 1 89 ILE H 3.631 . 5.279 4.698 4.556 4.852 . 0 0 "[ . 1]" 2
494 1 22 ARG H 1 40 VAL HA 3.450 . 4.938 3.260 3.046 3.488 . 0 0 "[ . 1]" 2
495 1 10 ILE HA 1 11 HIS H 2.086 . 2.630 2.415 2.376 2.489 . 0 0 "[ . 1]" 2
496 1 10 ILE H 1 10 ILE HA 2.757 . 3.707 2.893 2.883 2.901 . 0 0 "[ . 1]" 2
497 1 12 ARG HA 1 13 ALA H 3.589 . 5.199 2.150 2.111 2.191 . 0 0 "[ . 1]" 2
498 1 22 ARG H 1 41 TRP HB3 3.452 . 4.942 4.440 4.373 4.521 . 0 0 "[ . 1]" 2
499 1 11 HIS H 1 11 HIS HB3 2.378 . 3.085 2.819 2.756 2.929 . 0 0 "[ . 1]" 2
500 1 37 HIS H 1 37 HIS HB2 3.159 . 4.406 2.539 2.467 2.601 . 0 0 "[ . 1]" 2
501 1 22 ARG H 1 41 TRP HB2 3.668 . 5.350 3.069 2.842 3.259 . 0 0 "[ . 1]" 2
502 1 11 HIS H 1 48 PRO HB3 3.626 . 5.269 4.107 3.901 4.332 . 0 0 "[ . 1]" 2
503 1 8 ILE HB 1 89 ILE H 2.862 . 3.886 3.777 3.681 3.911 0.025 2 0 "[ . 1]" 2
504 1 39 MET HB2 1 40 VAL H 3.430 . 4.900 4.050 3.818 4.367 . 0 0 "[ . 1]" 2
505 1 39 MET HB3 1 40 VAL H 3.302 . 4.665 3.049 2.822 3.934 . 0 0 "[ . 1]" 2
506 1 88 ALA MB 1 89 ILE H 2.569 . 3.394 3.529 3.497 3.561 0.167 9 0 "[ . 1]" 2
507 1 10 ILE H 1 10 ILE HB 2.314 . 2.983 2.659 2.632 2.676 . 0 0 "[ . 1]" 2
508 1 24 ILE QG 1 37 HIS H 2.821 . 3.816 3.178 2.787 3.792 . 0 0 "[ . 1]" 2
509 1 89 ILE H 1 89 ILE MG 2.620 . 3.478 1.882 1.791 1.926 . 0 0 "[ . 1]" 2
510 1 20 THR H 1 44 GLU H 3.410 . 4.863 4.937 4.898 4.956 0.093 4 0 "[ . 1]" 2
511 1 54 LEU H 1 55 ARG H 3.514 . 5.057 4.408 4.374 4.432 . 0 0 "[ . 1]" 2
512 1 42 HIS HD2 1 43 VAL H 3.456 . 4.949 3.187 2.920 3.652 . 0 0 "[ . 1]" 2
513 1 19 PHE QD 1 44 GLU H 3.594 . 5.209 5.287 5.276 5.300 0.091 8 0 "[ . 1]" 2
514 1 10 ILE H 1 86 LYS HA 3.629 . 5.275 4.885 4.821 4.952 . 0 0 "[ . 1]" 2
515 1 10 ILE H 1 88 ALA HA 2.883 . 3.922 3.767 3.705 3.810 . 0 0 "[ . 1]" 2
516 1 42 HIS HA 1 43 VAL H 2.154 . 2.734 2.143 2.128 2.180 . 0 0 "[ . 1]" 2
517 1 95 GLU HA 1 96 ASN H 2.115 . 2.674 2.402 2.317 2.569 . 0 0 "[ . 1]" 2
518 1 4 MET HA 1 5 ARG H 2.747 . 3.690 2.328 2.253 2.407 . 0 0 "[ . 1]" 2
519 1 43 VAL H 1 43 VAL HA 2.777 . 3.741 2.930 2.926 2.936 . 0 0 "[ . 1]" 2
520 1 43 VAL HA 1 44 GLU H 2.124 . 2.688 2.070 2.052 2.099 . 0 0 "[ . 1]" 2
521 1 55 ARG H 1 55 ARG QD 3.612 . 5.243 3.521 2.480 3.787 . 0 0 "[ . 1]" 2
522 1 42 HIS HB2 1 43 VAL H 3.098 . 4.297 4.389 4.365 4.416 0.119 1 0 "[ . 1]" 2
523 1 19 PHE HB3 1 44 GLU H 3.328 . 4.713 3.853 3.770 3.962 . 0 0 "[ . 1]" 2
524 1 37 HIS H 1 37 HIS HB3 3.100 . 4.301 3.712 3.667 3.744 . 0 0 "[ . 1]" 2
525 1 42 HIS HB3 1 43 VAL H 3.200 . 4.480 3.851 3.747 3.973 . 0 0 "[ . 1]" 2
526 1 96 ASN H 1 96 ASN QB 2.755 . 3.704 2.609 2.422 2.766 . 0 0 "[ . 1]" 2
527 1 19 PHE HB2 1 44 GLU H 3.215 . 4.507 4.622 4.533 4.749 0.242 2 0 "[ . 1]" 2
528 1 43 VAL H 1 56 GLN HG2 3.109 . 4.317 4.311 4.210 4.371 0.054 2 0 "[ . 1]" 2
529 1 44 GLU H 1 44 GLU QG 2.441 . 3.186 2.627 2.032 3.194 0.008 9 0 "[ . 1]" 2
530 1 5 ARG H 1 5 ARG QB 2.813 . 3.802 2.354 2.303 2.392 . 0 0 "[ . 1]" 2
531 1 36 VAL H 1 36 VAL HB 2.525 . 3.322 2.708 2.533 2.796 . 0 0 "[ . 1]" 2
532 1 43 VAL H 1 43 VAL HB 2.455 . 3.209 3.246 3.227 3.275 0.066 8 0 "[ . 1]" 2
533 1 95 GLU QG 1 96 ASN H 2.866 . 3.892 3.240 2.938 3.422 . 0 0 "[ . 1]" 2
534 1 43 VAL HB 1 44 GLU H 3.126 . 4.347 4.049 3.995 4.092 . 0 0 "[ . 1]" 2
535 1 44 GLU H 1 44 GLU HB3 2.462 . 3.220 3.447 3.334 3.514 0.294 8 0 "[ . 1]" 2
536 1 54 LEU HG 1 55 ARG H 2.766 . 3.722 3.771 3.570 3.918 0.196 5 0 "[ . 1]" 2
537 1 44 GLU H 1 49 ALA MB 3.532 . 5.091 4.467 4.438 4.521 . 0 0 "[ . 1]" 2
538 1 36 VAL H 1 36 VAL QG 2.622 . 3.481 2.052 1.957 2.262 . 0 0 "[ . 1]" 2
539 1 55 ARG H 1 91 THR MG 3.194 . 4.469 4.274 4.067 4.501 0.032 10 0 "[ . 1]" 2
540 1 43 VAL H 1 43 VAL MG2 3.055 . 4.222 3.846 3.800 3.871 . 0 0 "[ . 1]" 2
541 1 43 VAL MG2 1 44 GLU H 2.624 . 3.485 2.631 2.557 2.673 . 0 0 "[ . 1]" 2
542 1 43 VAL H 1 43 VAL MG1 2.698 . 3.608 2.164 2.087 2.234 . 0 0 "[ . 1]" 2
543 1 43 VAL MG1 1 44 GLU H 2.877 . 3.911 4.042 4.013 4.075 0.164 2 0 "[ . 1]" 2
544 1 54 LEU MD1 1 55 ARG H 3.359 . 4.770 4.759 4.696 4.826 0.056 8 0 "[ . 1]" 2
545 1 64 ASN H 1 66 GLU H 3.665 . 5.344 4.293 4.222 4.365 . 0 0 "[ . 1]" 2
546 1 89 ILE H 1 90 SER H 3.680 . 5.373 4.392 4.364 4.426 . 0 0 "[ . 1]" 2
547 1 63 VAL H 1 66 GLU H 2.538 . 3.343 2.311 2.273 2.349 . 0 0 "[ . 1]" 2
548 1 65 GLY H 1 66 GLU H 2.795 . 3.771 2.494 2.401 2.605 . 0 0 "[ . 1]" 2
549 1 62 HIS HD2 1 66 GLU H 3.271 . 4.608 3.937 3.443 4.277 . 0 0 "[ . 1]" 2
550 1 62 HIS HA 1 66 GLU H 2.968 . 4.069 3.907 3.795 4.000 . 0 0 "[ . 1]" 2
551 1 90 SER H 1 90 SER HA 2.882 . 3.920 2.915 2.909 2.923 . 0 0 "[ . 1]" 2
552 1 66 GLU H 1 66 GLU HA 2.564 . 3.386 2.875 2.862 2.891 . 0 0 "[ . 1]" 2
553 1 63 VAL HA 1 90 SER H 2.905 . 3.960 2.795 2.709 2.873 . 0 0 "[ . 1]" 2
554 1 90 SER H 1 90 SER HB2 2.902 . 3.955 2.337 2.232 2.537 . 0 0 "[ . 1]" 2
555 1 65 GLY HA2 1 66 GLU H 2.752 . 3.699 2.764 2.721 2.801 . 0 0 "[ . 1]" 2
556 1 66 GLU H 1 67 PRO HD2 2.908 . 3.965 4.199 4.171 4.243 0.278 6 0 "[ . 1]" 2
557 1 90 SER H 1 90 SER HB3 2.754 . 3.702 2.912 2.723 3.041 . 0 0 "[ . 1]" 2
558 1 65 GLY HA3 1 66 GLU H 2.822 . 3.817 3.503 3.489 3.521 . 0 0 "[ . 1]" 2
559 1 64 ASN QB 1 66 GLU H 3.048 . 4.209 4.298 4.194 4.335 0.126 5 0 "[ . 1]" 2
560 1 62 HIS HB2 1 90 SER H 3.013 . 4.148 3.790 3.698 3.978 . 0 0 "[ . 1]" 2
561 1 62 HIS HB2 1 66 GLU H 3.153 . 4.396 4.375 4.260 4.454 0.058 3 0 "[ . 1]" 2
562 1 62 HIS HB3 1 90 SER H 3.251 . 4.572 4.685 4.654 4.718 0.146 1 0 "[ . 1]" 2
563 1 62 HIS HB3 1 66 GLU H 2.450 . 3.200 2.732 2.595 2.796 . 0 0 "[ . 1]" 2
564 1 66 GLU H 1 66 GLU HB2 2.086 . 2.630 2.886 2.801 2.968 0.338 3 0 "[ . 1]" 2
565 1 7 PRO HB3 1 90 SER H 3.399 . 4.843 3.757 3.722 3.797 . 0 0 "[ . 1]" 2
566 1 89 ILE HG13 1 90 SER H 3.149 . 4.389 3.064 2.987 3.113 . 0 0 "[ . 1]" 2
567 1 60 ILE MG 1 90 SER H 2.360 . 3.056 3.117 3.091 3.140 0.084 1 0 "[ . 1]" 2
568 1 22 ARG H 1 39 MET H 2.982 . 4.094 3.334 3.215 3.415 . 0 0 "[ . 1]" 2
569 1 39 MET H 1 40 VAL H 3.484 . 5.001 4.290 4.214 4.324 . 0 0 "[ . 1]" 2
570 1 38 HIS H 1 39 MET H 3.336 . 4.727 4.347 4.326 4.364 . 0 0 "[ . 1]" 2
571 1 23 ALA H 1 39 MET H 3.692 . 5.396 5.093 4.987 5.210 . 0 0 "[ . 1]" 2
572 1 11 HIS H 1 12 ARG H 2.887 . 3.928 3.968 3.881 4.007 0.079 8 0 "[ . 1]" 2
573 1 95 GLU H 1 96 ASN H 3.629 . 5.275 4.337 4.306 4.358 . 0 0 "[ . 1]" 2
574 1 12 ARG H 1 86 LYS H 3.458 . 4.953 4.486 4.345 4.598 . 0 0 "[ . 1]" 2
575 1 38 HIS H 1 38 HIS HD2 3.272 . 4.610 3.972 3.830 4.132 . 0 0 "[ . 1]" 2
576 1 12 ARG H 1 86 LYS HA 2.631 . 3.497 2.782 2.724 2.939 . 0 0 "[ . 1]" 2
577 1 39 MET H 1 39 MET HA 2.780 . 3.746 2.914 2.892 2.922 . 0 0 "[ . 1]" 2
578 1 38 HIS HA 1 39 MET H 2.330 . 3.009 2.364 2.301 2.473 . 0 0 "[ . 1]" 2
579 1 11 HIS HA 1 12 ARG H 2.118 . 2.679 2.122 2.104 2.133 . 0 0 "[ . 1]" 2
580 1 16 LYS HA 1 17 TYR H 2.395 . 3.112 2.638 2.571 2.708 . 0 0 "[ . 1]" 2
581 1 17 TYR H 1 17 TYR HA 2.967 . 4.067 2.911 2.905 2.918 . 0 0 "[ . 1]" 2
582 1 37 HIS HA 1 38 HIS H 2.561 . 3.381 2.612 2.523 2.671 . 0 0 "[ . 1]" 2
583 1 93 PRO HA 1 94 LEU H 2.127 . 2.693 2.424 2.355 2.475 . 0 0 "[ . 1]" 2
584 1 12 ARG H 1 85 ASN HA 3.015 . 4.152 3.916 3.766 4.101 . 0 0 "[ . 1]" 2
585 1 95 GLU H 1 95 GLU HA 2.998 . 4.121 2.868 2.849 2.881 . 0 0 "[ . 1]" 2
586 1 17 TYR H 1 18 GLY HA2 3.527 . 5.082 4.499 4.412 4.559 . 0 0 "[ . 1]" 2
587 1 94 LEU H 1 94 LEU HA 2.645 . 3.519 2.812 2.803 2.824 . 0 0 "[ . 1]" 2
588 1 12 ARG H 1 12 ARG HA 2.637 . 3.506 2.814 2.806 2.827 . 0 0 "[ . 1]" 2
589 1 53 GLY HA2 1 54 LEU H 2.688 . 3.591 3.373 3.335 3.411 . 0 0 "[ . 1]" 2
590 1 54 LEU H 1 54 LEU HA 2.469 . 3.231 2.842 2.834 2.850 . 0 0 "[ . 1]" 2
591 1 17 TYR H 1 17 TYR HB2 3.049 . 4.211 2.660 2.637 2.701 . 0 0 "[ . 1]" 2
592 1 38 HIS H 1 38 HIS HB2 2.867 . 3.894 2.890 2.856 2.924 . 0 0 "[ . 1]" 2
593 1 38 HIS HB2 1 39 MET H 3.297 . 4.655 3.677 3.458 3.810 . 0 0 "[ . 1]" 2
594 1 17 TYR H 1 17 TYR HB3 2.838 . 3.845 3.685 3.667 3.697 . 0 0 "[ . 1]" 2
595 1 38 HIS H 1 38 HIS HB3 3.053 . 4.218 3.915 3.892 3.934 . 0 0 "[ . 1]" 2
596 1 37 HIS HB3 1 38 HIS H 3.175 . 4.435 1.962 1.896 2.054 0.019 7 0 "[ . 1]" 2
597 1 38 HIS HB3 1 39 MET H 3.164 . 4.415 2.550 2.314 2.688 . 0 0 "[ . 1]" 2
598 1 12 ARG H 1 12 ARG HD2 3.331 . 4.718 4.794 4.629 4.883 0.165 9 0 "[ . 1]" 2
599 1 39 MET H 1 39 MET QG 3.218 . 4.513 3.478 3.083 4.198 . 0 0 "[ . 1]" 2
600 1 93 PRO HB2 1 94 LEU H 2.720 . 3.645 3.040 2.934 3.200 . 0 0 "[ . 1]" 2
601 1 12 ARG H 1 12 ARG HD3 3.336 . 4.727 4.816 4.771 4.871 0.144 5 0 "[ . 1]" 2
602 1 95 GLU H 1 95 GLU QG 3.121 . 4.338 3.263 3.163 3.399 . 0 0 "[ . 1]" 2
603 1 16 LYS HB2 1 17 TYR H 2.906 . 3.961 1.960 1.854 2.076 . 0 0 "[ . 1]" 2
604 1 16 LYS HB3 1 17 TYR H 3.076 . 4.259 3.371 3.271 3.522 . 0 0 "[ . 1]" 2
605 1 38 HIS H 1 60 ILE HB 3.597 . 5.214 4.088 3.888 4.228 . 0 0 "[ . 1]" 2
606 1 39 MET H 1 39 MET HB2 2.652 . 3.531 2.891 2.792 3.246 . 0 0 "[ . 1]" 2
607 1 93 PRO HB3 1 94 LEU H 2.815 . 3.805 2.620 2.558 2.713 . 0 0 "[ . 1]" 2
608 1 94 LEU H 1 94 LEU HB3 2.478 . 3.245 3.304 3.217 3.413 0.168 1 0 "[ . 1]" 2
609 1 12 ARG H 1 86 LYS HB3 3.190 . 4.462 3.522 3.294 3.686 . 0 0 "[ . 1]" 2
610 1 94 LEU HB3 1 95 GLU H 2.984 . 4.097 2.996 2.760 3.130 . 0 0 "[ . 1]" 2
611 1 16 LYS HG2 1 17 TYR H 3.318 . 4.694 4.436 4.254 4.606 . 0 0 "[ . 1]" 2
612 1 22 ARG HB2 1 39 MET H 3.472 . 4.979 4.145 3.921 4.254 . 0 0 "[ . 1]" 2
613 1 25 ARG HB2 1 26 VAL H 3.426 . 4.893 4.251 3.447 4.544 . 0 0 "[ . 1]" 2
614 1 94 LEU H 1 94 LEU HG 2.435 . 3.176 1.694 1.668 1.753 0.026 5 0 "[ . 1]" 2
615 1 12 ARG H 1 12 ARG HB2 2.368 . 3.069 2.392 2.257 2.463 . 0 0 "[ . 1]" 2
616 1 54 LEU H 1 54 LEU HB3 2.240 . 2.867 2.863 2.703 2.946 0.079 7 0 "[ . 1]" 2
617 1 21 LEU MD1 1 38 HIS H 3.674 . 5.362 4.873 4.737 5.053 . 0 0 "[ . 1]" 2
618 1 21 LEU MD1 1 39 MET H 2.862 . 3.886 2.788 2.691 2.966 . 0 0 "[ . 1]" 2
619 1 25 ARG HB3 1 26 VAL H 2.909 . 3.967 3.962 3.809 4.120 0.153 4 0 "[ . 1]" 2
620 1 54 LEU H 1 54 LEU HB2 2.286 . 2.939 2.282 2.223 2.365 . 0 0 "[ . 1]" 2
621 1 39 MET H 1 60 ILE MD 2.834 . 3.838 3.460 3.387 3.534 . 0 0 "[ . 1]" 2
622 1 26 VAL H 1 26 VAL MG1 2.888 . 3.931 2.697 2.593 2.800 . 0 0 "[ . 1]" 2
623 1 94 LEU H 1 94 LEU MD1 3.054 . 4.220 1.881 1.848 1.966 0.040 1 0 "[ . 1]" 2
624 1 94 LEU MD1 1 95 GLU H 3.098 . 4.297 4.297 4.154 4.422 0.125 1 0 "[ . 1]" 2
625 1 8 ILE MG 1 54 LEU H 2.546 . 3.356 2.194 1.966 2.344 . 0 0 "[ . 1]" 2
626 1 8 ILE H 1 89 ILE H 2.868 . 3.896 3.195 3.001 3.416 . 0 0 "[ . 1]" 2
627 1 56 GLN H 1 57 GLY H 3.488 . 5.009 4.608 4.563 4.641 . 0 0 "[ . 1]" 2
628 1 72 VAL H 1 76 VAL H 3.586 . 5.194 4.635 4.554 4.754 . 0 0 "[ . 1]" 2
629 1 69 HIS H 1 70 GLY H 3.446 . 4.931 4.216 4.190 4.267 . 0 0 "[ . 1]" 2
630 1 43 VAL H 1 56 GLN H 3.437 . 4.914 4.951 4.794 4.995 0.081 10 0 "[ . 1]" 2
631 1 74 THR H 1 76 VAL H 3.602 . 5.224 4.523 4.396 4.579 . 0 0 "[ . 1]" 2
632 1 68 VAL H 1 69 HIS H 2.526 . 3.323 2.101 2.082 2.114 . 0 0 "[ . 1]" 2
633 1 27 TYR QD 1 28 MET H 3.555 . 5.134 3.907 3.262 4.659 . 0 0 "[ . 1]" 2
634 1 69 HIS H 1 69 HIS HD2 3.420 . 4.882 2.452 2.296 2.706 . 0 0 "[ . 1]" 2
635 1 8 ILE H 1 88 ALA HA 3.397 . 4.840 4.259 4.118 4.393 . 0 0 "[ . 1]" 2
636 1 8 ILE H 1 90 SER HA 2.830 . 3.831 3.278 3.156 3.404 . 0 0 "[ . 1]" 2
637 1 7 PRO HA 1 8 ILE H 2.177 . 2.769 2.096 2.080 2.116 . 0 0 "[ . 1]" 2
638 1 55 ARG HA 1 56 GLN H 2.068 . 2.602 2.147 2.123 2.172 . 0 0 "[ . 1]" 2
639 1 68 VAL HA 1 69 HIS H 2.345 . 3.033 3.212 3.191 3.237 0.204 1 0 "[ . 1]" 2
640 1 8 ILE H 1 8 ILE HA 2.691 . 3.596 2.892 2.869 2.909 . 0 0 "[ . 1]" 2
641 1 74 THR HA 1 76 VAL H 3.342 . 4.738 4.355 4.306 4.429 . 0 0 "[ . 1]" 2
642 1 27 TYR HB2 1 28 MET H 3.397 . 4.840 4.208 3.929 4.512 . 0 0 "[ . 1]" 2
643 1 55 ARG QD 1 56 GLN H 3.222 . 4.519 4.328 4.049 4.566 0.047 10 0 "[ . 1]" 2
644 1 27 TYR HB3 1 28 MET H 3.516 . 5.061 3.129 2.600 3.862 . 0 0 "[ . 1]" 2
645 1 28 MET H 1 28 MET QG 3.305 . 4.670 2.800 2.256 3.933 . 0 0 "[ . 1]" 2
646 1 68 VAL HB 1 69 HIS H 3.168 . 4.422 4.120 4.079 4.174 . 0 0 "[ . 1]" 2
647 1 8 ILE H 1 8 ILE HB 2.270 . 2.914 2.732 2.689 2.761 . 0 0 "[ . 1]" 2
648 1 56 GLN H 1 56 GLN HB3 2.234 . 2.858 2.693 2.652 2.752 . 0 0 "[ . 1]" 2
649 1 67 PRO QB 1 69 HIS H 2.744 . 3.685 2.808 2.638 2.972 . 0 0 "[ . 1]" 2
650 1 8 ILE H 1 8 ILE HG13 2.385 . 3.096 1.809 1.769 1.855 . 0 0 "[ . 1]" 2
651 1 8 ILE H 1 89 ILE HG13 3.567 . 5.157 5.221 5.204 5.235 0.078 2 0 "[ . 1]" 2
652 1 8 ILE H 1 91 THR MG 2.978 . 4.087 4.145 4.114 4.185 0.098 3 0 "[ . 1]" 2
653 1 43 VAL MG2 1 56 GLN H 3.222 . 4.519 4.645 4.617 4.683 0.164 2 0 "[ . 1]" 2
654 1 8 ILE H 1 8 ILE MD 2.545 . 3.355 3.063 2.529 3.417 0.062 2 0 "[ . 1]" 2
655 1 43 VAL MG1 1 56 GLN H 2.595 . 3.437 2.562 2.502 2.620 . 0 0 "[ . 1]" 2
656 1 68 VAL QG 1 69 HIS H 2.612 . 3.465 2.668 2.596 2.725 . 0 0 "[ . 1]" 2
657 1 71 LEU H 1 72 VAL H 3.435 . 4.910 4.591 4.575 4.616 . 0 0 "[ . 1]" 2
658 1 61 THR H 1 62 HIS H 2.330 . 3.009 2.123 2.105 2.148 . 0 0 "[ . 1]" 2
659 1 72 VAL H 1 75 GLU H 3.211 . 4.500 3.668 3.547 3.794 . 0 0 "[ . 1]" 2
660 1 49 ALA H 1 50 SER H 2.587 . 3.424 3.094 3.039 3.151 . 0 0 "[ . 1]" 2
661 1 32 ASP H 1 33 VAL H 3.025 . 4.169 2.733 2.338 3.093 . 0 0 "[ . 1]" 2
662 1 70 GLY H 1 71 LEU H 3.143 . 4.378 2.307 2.241 2.369 . 0 0 "[ . 1]" 2
663 1 62 HIS H 1 90 SER H 2.695 . 3.603 3.438 3.380 3.551 . 0 0 "[ . 1]" 2
664 1 74 THR H 1 75 GLU H 2.866 . 3.893 2.534 2.431 2.597 . 0 0 "[ . 1]" 2
665 1 80 ILE H 1 81 LEU H 2.473 . 3.237 2.678 2.618 2.705 . 0 0 "[ . 1]" 2
666 1 49 ALA H 1 52 ALA H 3.488 . 5.009 4.877 4.812 4.964 . 0 0 "[ . 1]" 2
667 1 33 VAL H 1 34 TYR H 3.139 . 4.371 4.463 4.393 4.514 0.143 3 0 "[ . 1]" 2
668 1 79 LEU H 1 81 LEU H 3.362 . 4.775 4.384 4.322 4.467 . 0 0 "[ . 1]" 2
669 1 51 GLU H 1 53 GLY H 3.269 . 4.605 4.095 4.010 4.153 . 0 0 "[ . 1]" 2
670 1 19 PHE QD 1 49 ALA H 3.286 . 4.635 3.952 3.891 4.046 . 0 0 "[ . 1]" 2
671 1 33 VAL H 1 34 TYR QD 3.364 . 4.779 4.630 4.252 4.833 0.054 7 0 "[ . 1]" 2
672 1 27 TYR QD 1 33 VAL H 3.309 . 4.678 4.269 3.764 4.700 0.022 6 0 "[ . 1]" 2
673 1 34 TYR H 1 34 TYR QD 2.661 . 3.546 3.024 2.628 3.313 . 0 0 "[ . 1]" 2
674 1 75 GLU H 1 76 VAL H 2.437 . 3.180 2.634 2.613 2.677 . 0 0 "[ . 1]" 2
675 1 62 HIS H 1 91 THR HA 3.305 . 4.670 4.482 4.349 4.663 . 0 0 "[ . 1]" 2
676 1 62 HIS H 1 62 HIS HA 2.902 . 3.954 2.932 2.922 2.939 . 0 0 "[ . 1]" 2
677 1 59 LEU HA 1 60 ILE H 2.593 . 3.433 2.152 2.135 2.180 . 0 0 "[ . 1]" 2
678 1 48 PRO HA 1 49 ALA H 2.678 . 3.574 3.088 3.031 3.132 . 0 0 "[ . 1]" 2
679 1 32 ASP HA 1 33 VAL H 2.505 . 3.290 3.149 2.873 3.362 0.072 6 0 "[ . 1]" 2
680 1 68 VAL HA 1 71 LEU H 2.861 . 3.884 3.695 3.616 3.778 . 0 0 "[ . 1]" 2
681 1 49 ALA H 1 49 ALA HA 2.442 . 3.187 2.683 2.662 2.699 . 0 0 "[ . 1]" 2
682 1 33 VAL H 1 33 VAL HA 2.502 . 3.285 2.872 2.857 2.892 . 0 0 "[ . 1]" 2
683 1 70 GLY HA2 1 71 LEU H 3.055 . 4.221 3.372 3.342 3.395 . 0 0 "[ . 1]" 2
684 1 80 ILE HA 1 81 LEU H 3.116 . 4.330 3.570 3.559 3.578 . 0 0 "[ . 1]" 2
685 1 70 GLY HA3 1 71 LEU H 3.050 . 4.213 3.176 3.133 3.224 . 0 0 "[ . 1]" 2
686 1 62 HIS H 1 90 SER HB3 2.689 . 3.593 2.081 1.960 2.223 . 0 0 "[ . 1]" 2
687 1 74 THR HA 1 75 GLU H 3.162 . 4.411 3.440 3.405 3.459 . 0 0 "[ . 1]" 2
688 1 77 VAL HA 1 81 LEU H 3.291 . 4.645 4.156 4.040 4.234 . 0 0 "[ . 1]" 2
689 1 17 TYR HB2 1 49 ALA H 3.518 . 5.065 4.718 4.656 4.762 . 0 0 "[ . 1]" 2
690 1 48 PRO HB2 1 51 GLU H 3.689 . 5.390 5.125 5.036 5.210 . 0 0 "[ . 1]" 2
691 1 48 PRO HB2 1 49 ALA H 2.697 . 3.606 1.698 1.679 1.719 0.109 1 0 "[ . 1]" 2
692 1 17 TYR HB3 1 49 ALA H 3.623 . 5.264 3.723 3.535 3.853 . 0 0 "[ . 1]" 2
693 1 32 ASP QB 1 33 VAL H 3.086 . 4.276 3.637 3.083 3.967 . 0 0 "[ . 1]" 2
694 1 62 HIS H 1 62 HIS HB2 2.863 . 3.888 2.782 2.703 2.845 . 0 0 "[ . 1]" 2
695 1 72 VAL HB 1 75 GLU H 3.443 . 4.924 4.276 4.194 4.375 . 0 0 "[ . 1]" 2
696 1 51 GLU H 1 51 GLU QB 2.016 . 2.524 2.452 2.371 2.551 0.027 3 0 "[ . 1]" 2
697 1 48 PRO HG2 1 49 ALA H 3.076 . 4.259 3.958 3.945 3.975 . 0 0 "[ . 1]" 2
698 1 48 PRO HB3 1 49 ALA H 2.526 . 3.324 2.219 2.188 2.269 . 0 0 "[ . 1]" 2
699 1 68 VAL HB 1 71 LEU H 3.460 . 4.956 4.264 4.206 4.336 . 0 0 "[ . 1]" 2
700 1 62 HIS H 1 62 HIS HB3 3.003 . 4.130 3.855 3.802 3.893 . 0 0 "[ . 1]" 2
701 1 75 GLU H 1 75 GLU HB2 2.499 . 3.280 2.219 2.194 2.247 . 0 0 "[ . 1]" 2
702 1 75 GLU H 1 75 GLU QG 2.381 . 3.089 2.808 2.706 2.879 . 0 0 "[ . 1]" 2
703 1 33 VAL H 1 33 VAL HB 2.308 . 2.974 2.847 2.703 2.961 . 0 0 "[ . 1]" 2
704 1 33 VAL H 1 34 TYR HB3 3.702 . 5.415 5.214 4.927 5.432 0.017 3 0 "[ . 1]" 2
705 1 71 LEU H 1 71 LEU HB2 2.468 . 3.229 2.430 2.373 2.474 . 0 0 "[ . 1]" 2
706 1 33 VAL HB 1 34 TYR H 2.905 . 3.960 4.044 3.978 4.102 0.142 2 0 "[ . 1]" 2
707 1 34 TYR H 1 34 TYR HB3 2.981 . 4.092 3.379 3.298 3.479 . 0 0 "[ . 1]" 2
708 1 75 GLU HB3 1 76 VAL H 2.775 . 3.737 3.363 3.292 3.432 . 0 0 "[ . 1]" 2
709 1 75 GLU H 1 75 GLU HB3 2.586 . 3.422 3.504 3.488 3.518 0.096 8 0 "[ . 1]" 2
710 1 38 HIS HD2 1 76 VAL HB 3.147 . 4.385 4.523 4.474 4.557 0.172 10 0 "[ . 1]" 2
711 1 51 GLU H 1 52 ALA MB 2.961 . 4.057 4.164 4.134 4.190 0.133 5 0 "[ . 1]" 2
712 1 71 LEU H 1 71 LEU HG 2.309 . 2.975 2.597 2.498 2.712 . 0 0 "[ . 1]" 2
713 1 43 VAL MG2 1 51 GLU H 3.112 . 4.323 4.372 4.333 4.433 0.110 4 0 "[ . 1]" 2
714 1 10 ILE MG 1 49 ALA H 2.732 . 3.665 2.242 2.219 2.282 . 0 0 "[ . 1]" 2
715 1 43 VAL MG2 1 49 ALA H 3.053 . 4.218 3.562 3.398 3.716 . 0 0 "[ . 1]" 2
716 1 33 VAL H 1 33 VAL MG1 2.291 . 2.947 1.875 1.803 2.029 . 0 0 "[ . 1]" 2
717 1 61 THR MG 1 62 HIS H 2.952 . 4.041 3.757 3.661 3.808 . 0 0 "[ . 1]" 2
718 1 60 ILE MG 1 62 HIS H 2.328 . 3.006 2.736 2.634 2.804 . 0 0 "[ . 1]" 2
719 1 72 VAL MG1 1 76 VAL H 3.023 . 4.165 4.019 3.940 4.115 . 0 0 "[ . 1]" 2
720 1 71 LEU QD 1 76 VAL H 2.738 . 3.675 3.612 3.543 3.675 0.000 8 0 "[ . 1]" 2
721 1 60 ILE H 1 60 ILE MD 2.599 . 3.443 2.066 1.950 2.147 . 0 0 "[ . 1]" 2
722 1 10 ILE MD 1 49 ALA H 3.211 . 4.500 3.958 3.872 4.052 . 0 0 "[ . 1]" 2
723 1 71 LEU H 1 71 LEU QD 2.470 . 3.233 3.106 3.014 3.217 . 0 0 "[ . 1]" 2
724 1 76 VAL H 1 76 VAL MG2 2.651 . 3.529 1.926 1.846 2.040 . 0 0 "[ . 1]" 2
725 1 38 HIS HD2 1 76 VAL MG2 3.518 . 5.065 3.433 3.293 3.710 . 0 0 "[ . 1]" 2
726 1 49 ALA H 1 54 LEU MD1 3.411 . 4.866 4.799 4.678 4.868 0.002 1 0 "[ . 1]" 2
727 1 71 LEU H 1 76 VAL MG1 3.267 . 4.601 4.342 4.153 4.509 . 0 0 "[ . 1]" 2
728 1 38 HIS HD2 1 76 VAL MG1 3.116 . 4.330 2.038 1.980 2.109 . 0 0 "[ . 1]" 2
729 1 10 ILE H 1 87 VAL H 2.621 . 3.479 3.045 2.972 3.115 . 0 0 "[ . 1]" 2
730 1 63 VAL H 1 68 VAL H 3.217 . 4.511 4.334 4.232 4.438 . 0 0 "[ . 1]" 2
731 1 17 TYR QD 1 87 VAL H 3.480 . 4.994 4.200 4.029 4.441 . 0 0 "[ . 1]" 2
732 1 17 TYR QE 1 87 VAL H 2.873 . 3.905 3.804 3.621 3.918 0.013 6 0 "[ . 1]" 2
733 1 23 ALA HA 1 24 ILE H 2.595 . 3.437 2.225 2.167 2.262 . 0 0 "[ . 1]" 2
734 1 11 HIS HA 1 87 VAL H 2.880 . 3.917 4.016 3.994 4.041 0.124 4 0 "[ . 1]" 2
735 1 31 SER HA 1 32 ASP H 2.915 . 3.977 2.520 2.275 2.878 . 0 0 "[ . 1]" 2
736 1 57 GLY HA3 1 58 ASP H 3.541 . 5.108 3.450 3.331 3.546 . 0 0 "[ . 1]" 2
737 1 59 LEU H 1 91 THR HB 3.520 . 5.069 3.648 3.392 4.061 . 0 0 "[ . 1]" 2
738 1 63 VAL H 1 65 GLY HA2 3.592 . 5.204 4.612 4.479 4.698 . 0 0 "[ . 1]" 2
739 1 31 SER HB2 1 32 ASP H 3.454 . 4.945 2.898 2.168 3.858 . 0 0 "[ . 1]" 2
740 1 31 SER HB3 1 32 ASP H 3.161 . 4.410 2.769 1.863 3.724 0.049 4 0 "[ . 1]" 2
741 1 63 VAL H 1 90 SER HB3 3.492 . 5.017 5.065 4.983 5.118 0.101 4 0 "[ . 1]" 2
742 1 56 GLN HA 1 58 ASP H 3.185 . 4.453 3.696 3.246 4.381 . 0 0 "[ . 1]" 2
743 1 63 VAL H 1 64 ASN QB 3.450 . 4.938 4.805 4.758 4.879 . 0 0 "[ . 1]" 2
744 1 58 ASP HB2 1 59 LEU H 3.499 . 5.029 4.148 4.064 4.236 . 0 0 "[ . 1]" 2
745 1 62 HIS HB2 1 63 VAL H 2.901 . 3.953 3.705 3.569 3.819 . 0 0 "[ . 1]" 2
746 1 32 ASP H 1 32 ASP QB 3.093 . 4.289 2.277 2.134 2.399 . 0 0 "[ . 1]" 2
747 1 58 ASP HB3 1 59 LEU H 3.239 . 4.550 3.436 3.277 3.564 . 0 0 "[ . 1]" 2
748 1 62 HIS HB3 1 63 VAL H 2.613 . 3.467 2.566 2.456 2.655 . 0 0 "[ . 1]" 2
749 1 63 VAL H 1 63 VAL HB 2.470 . 3.233 3.315 3.299 3.342 0.109 10 0 "[ . 1]" 2
750 1 24 ILE H 1 24 ILE QG 2.794 . 3.770 2.318 2.115 2.402 . 0 0 "[ . 1]" 2
751 1 86 LYS HB2 1 87 VAL H 2.501 . 3.283 2.084 2.027 2.133 . 0 0 "[ . 1]" 2
752 1 24 ILE H 1 24 ILE MG 3.107 . 4.313 3.384 3.032 3.613 . 0 0 "[ . 1]" 2
753 1 24 ILE H 1 24 ILE MD 3.026 . 4.171 4.002 3.841 4.082 . 0 0 "[ . 1]" 2
754 1 63 VAL H 1 68 VAL QG 2.225 . 2.844 2.921 2.883 2.966 0.122 7 0 "[ . 1]" 2
755 1 40 VAL MG2 1 58 ASP H 3.362 . 4.775 4.060 3.904 4.191 . 0 0 "[ . 1]" 2
756 1 40 VAL MG1 1 58 ASP H 3.297 . 4.655 1.904 1.868 1.954 0.071 2 0 "[ . 1]" 2
757 1 51 GLU H 1 52 ALA H 2.363 . 3.061 2.540 2.489 2.574 . 0 0 "[ . 1]" 2
758 1 52 ALA H 1 53 GLY H 2.284 . 2.936 2.564 2.497 2.657 . 0 0 "[ . 1]" 2
759 1 75 GLU H 1 77 VAL H 3.029 . 4.176 4.151 4.087 4.194 0.018 9 0 "[ . 1]" 2
760 1 17 TYR QE 1 86 LYS H 3.464 . 4.964 3.573 3.257 3.825 . 0 0 "[ . 1]" 2
761 1 86 LYS H 1 86 LYS HA 2.461 . 3.218 2.859 2.843 2.866 . 0 0 "[ . 1]" 2
762 1 52 ALA H 1 52 ALA HA 2.224 . 2.842 2.823 2.793 2.846 0.004 8 0 "[ . 1]" 2
763 1 85 ASN HA 1 86 LYS H 2.625 . 3.487 3.191 3.086 3.326 . 0 0 "[ . 1]" 2
764 1 84 GLY HA2 1 86 LYS H 3.066 . 4.241 4.291 4.222 4.376 0.135 4 0 "[ . 1]" 2
765 1 84 GLY HA3 1 86 LYS H 3.430 . 4.900 3.351 3.276 3.426 . 0 0 "[ . 1]" 2
766 1 85 ASN QB 1 86 LYS H 2.757 . 3.707 3.865 3.807 3.918 0.211 1 0 "[ . 1]" 2
767 1 51 GLU HG2 1 52 ALA H 3.170 . 4.426 4.460 4.378 4.513 0.087 3 0 "[ . 1]" 2
768 1 51 GLU QB 1 52 ALA H 2.301 . 2.963 2.844 2.733 2.955 . 0 0 "[ . 1]" 2
769 1 77 VAL H 1 77 VAL HB 2.231 . 2.853 2.573 2.476 2.669 . 0 0 "[ . 1]" 2
770 1 86 LYS H 1 86 LYS HB3 2.709 . 3.626 3.506 3.449 3.576 . 0 0 "[ . 1]" 2
771 1 80 ILE H 1 80 ILE HB 2.086 . 2.630 2.281 2.252 2.303 . 0 0 "[ . 1]" 2
772 1 86 LYS H 1 86 LYS HG2 2.641 . 3.513 2.943 2.691 3.114 . 0 0 "[ . 1]" 2
773 1 86 LYS H 1 86 LYS HG3 2.854 . 3.872 2.897 2.609 3.193 . 0 0 "[ . 1]" 2
774 1 86 LYS H 1 87 VAL MG1 3.448 . 4.934 4.958 4.940 4.985 0.051 6 0 "[ . 1]" 2
775 1 76 VAL MG1 1 77 VAL H 2.935 . 4.012 3.926 3.868 3.981 . 0 0 "[ . 1]" 2
776 1 17 TYR H 1 19 PHE H 3.029 . 4.176 4.147 4.007 4.230 0.054 8 0 "[ . 1]" 2
777 1 16 LYS H 1 17 TYR H 3.476 . 4.986 4.358 4.336 4.377 . 0 0 "[ . 1]" 2
778 1 18 GLY H 1 19 PHE H 2.260 . 2.898 3.051 2.980 3.178 0.280 8 0 "[ . 1]" 2
779 1 19 PHE H 1 20 THR H 3.195 . 4.471 4.335 4.249 4.504 0.033 9 0 "[ . 1]" 2
780 1 81 LEU H 1 82 LYS H 2.482 . 3.252 2.665 2.630 2.729 . 0 0 "[ . 1]" 2
781 1 80 ILE H 1 82 LYS H 3.056 . 4.224 3.910 3.809 4.006 . 0 0 "[ . 1]" 2
782 1 79 LEU H 1 82 LYS H 3.406 . 4.856 4.653 4.596 4.718 . 0 0 "[ . 1]" 2
783 1 19 PHE H 1 19 PHE QD 2.587 . 3.424 2.499 1.958 2.831 . 0 0 "[ . 1]" 2
784 1 19 PHE H 1 19 PHE HA 2.578 . 3.409 2.864 2.852 2.892 . 0 0 "[ . 1]" 2
785 1 19 PHE H 1 20 THR HA 3.567 . 5.157 4.956 4.754 5.378 0.221 2 0 "[ . 1]" 2
786 1 18 GLY HA3 1 19 PHE H 2.516 . 3.308 3.395 3.016 3.541 0.233 10 0 "[ . 1]" 2
787 1 18 GLY HA2 1 19 PHE H 2.453 . 3.205 2.946 2.701 3.416 0.211 8 0 "[ . 1]" 2
788 1 15 LYS HA 1 16 LYS H 2.749 . 3.694 3.545 3.517 3.569 . 0 0 "[ . 1]" 2
789 1 80 ILE HA 1 82 LYS H 3.444 . 4.927 4.317 4.168 4.437 . 0 0 "[ . 1]" 2
790 1 74 THR HA 1 78 GLU H 2.950 . 4.038 3.933 3.834 4.001 . 0 0 "[ . 1]" 2
791 1 19 PHE H 1 19 PHE HB3 3.001 . 4.127 3.132 2.590 3.358 . 0 0 "[ . 1]" 2
792 1 17 TYR HB2 1 19 PHE H 3.196 . 4.473 3.525 3.002 3.779 . 0 0 "[ . 1]" 2
793 1 76 VAL HA 1 79 LEU H 2.730 . 3.662 3.344 3.285 3.419 . 0 0 "[ . 1]" 2
794 1 19 PHE H 1 19 PHE HB2 2.885 . 3.926 3.956 3.681 4.073 0.147 7 0 "[ . 1]" 2
795 1 78 GLU HG3 1 79 LEU H 3.196 . 4.473 4.561 4.494 4.615 0.142 1 0 "[ . 1]" 2
796 1 78 GLU H 1 78 GLU HG3 2.657 . 3.539 2.682 2.488 2.866 . 0 0 "[ . 1]" 2
797 1 82 LYS H 1 82 LYS HB2 2.109 . 2.665 2.212 2.187 2.242 . 0 0 "[ . 1]" 2
798 1 78 GLU H 1 78 GLU HB2 2.120 . 2.682 2.282 2.247 2.323 . 0 0 "[ . 1]" 2
799 1 19 PHE H 1 49 ALA MB 2.895 . 3.943 3.894 3.246 4.179 0.236 4 0 "[ . 1]" 2
800 1 16 LYS H 1 16 LYS HG3 2.622 . 3.481 3.228 2.732 3.495 0.014 5 0 "[ . 1]" 2
801 1 79 LEU H 1 79 LEU QD 2.329 . 3.007 3.038 3.010 3.068 0.061 3 0 "[ . 1]" 2
802 1 77 VAL MG2 1 78 GLU H 2.745 . 3.687 3.718 3.649 3.782 0.095 7 0 "[ . 1]" 2
803 1 20 THR H 1 21 LEU H 3.458 . 4.953 4.440 4.390 4.493 . 0 0 "[ . 1]" 2
804 1 20 THR H 1 42 HIS H 2.788 . 3.760 2.626 2.549 2.724 . 0 0 "[ . 1]" 2
805 1 19 PHE QD 1 20 THR H 2.934 . 4.010 3.563 3.409 3.685 . 0 0 "[ . 1]" 2
806 1 92 THR H 1 92 THR HA 2.860 . 3.882 2.946 2.942 2.953 . 0 0 "[ . 1]" 2
807 1 20 THR H 1 42 HIS HA 3.424 . 4.889 4.543 4.491 4.603 . 0 0 "[ . 1]" 2
808 1 58 ASP HA 1 92 THR H 3.114 . 4.326 4.502 4.444 4.561 0.235 3 0 "[ . 1]" 2
809 1 20 THR H 1 20 THR HB 2.440 . 3.184 2.481 2.441 2.516 . 0 0 "[ . 1]" 2
810 1 91 THR HB 1 92 THR H 2.356 . 3.050 2.239 2.076 2.414 . 0 0 "[ . 1]" 2
811 1 92 THR H 1 93 PRO HD2 3.645 . 5.306 4.952 4.873 5.008 . 0 0 "[ . 1]" 2
812 1 20 THR H 1 42 HIS HB2 3.187 . 4.457 4.628 4.600 4.667 0.210 8 0 "[ . 1]" 2
813 1 19 PHE HB2 1 20 THR H 2.616 . 3.471 2.674 2.599 2.782 . 0 0 "[ . 1]" 2
814 1 58 ASP HB2 1 92 THR H 3.545 . 5.116 5.102 4.957 5.187 0.071 2 0 "[ . 1]" 2
815 1 58 ASP HB3 1 92 THR H 3.127 . 4.350 4.150 3.979 4.238 . 0 0 "[ . 1]" 2
816 1 59 LEU QB 1 92 THR H 3.171 . 4.428 3.674 3.559 3.753 . 0 0 "[ . 1]" 2
817 1 20 THR H 1 20 THR MG 2.983 . 4.095 3.797 3.786 3.821 . 0 0 "[ . 1]" 2
818 1 59 LEU HG 1 92 THR H 3.301 . 4.663 4.667 4.538 4.738 0.075 7 0 "[ . 1]" 2
819 1 92 THR H 1 92 THR MG 2.409 . 3.134 1.943 1.883 2.104 . 0 0 "[ . 1]" 2
820 1 91 THR MG 1 92 THR H 2.688 . 3.591 3.633 3.577 3.667 0.076 2 0 "[ . 1]" 2
821 1 20 THR H 1 40 VAL MG2 2.961 . 4.057 2.717 2.538 2.851 . 0 0 "[ . 1]" 2
822 1 50 SER H 1 51 GLU H 2.395 . 3.112 2.864 2.778 2.958 . 0 0 "[ . 1]" 2
823 1 50 SER H 1 52 ALA H 3.271 . 4.608 3.807 3.739 3.922 . 0 0 "[ . 1]" 2
824 1 57 GLY H 1 58 ASP H 2.927 . 3.998 2.459 2.333 2.675 . 0 0 "[ . 1]" 2
825 1 61 THR H 1 91 THR HA 2.780 . 3.746 2.849 2.723 3.023 . 0 0 "[ . 1]" 2
826 1 91 THR H 1 91 THR HA 2.791 . 3.764 2.938 2.933 2.944 . 0 0 "[ . 1]" 2
827 1 90 SER HA 1 91 THR H 2.118 . 2.679 2.143 2.111 2.169 . 0 0 "[ . 1]" 2
828 1 41 TRP HA 1 57 GLY H 3.607 . 5.233 4.379 4.169 4.697 . 0 0 "[ . 1]" 2
829 1 61 THR H 1 61 THR HA 2.892 . 3.937 2.930 2.925 2.935 . 0 0 "[ . 1]" 2
830 1 71 LEU HA 1 72 VAL H 2.262 . 2.902 2.218 2.199 2.250 . 0 0 "[ . 1]" 2
831 1 7 PRO HA 1 91 THR H 2.834 . 3.838 3.490 3.388 3.588 . 0 0 "[ . 1]" 2
832 1 64 ASN HD22 1 87 VAL HA 3.295 . 4.652 3.914 3.592 4.640 . 0 0 "[ . 1]" 2
833 1 31 SER H 1 31 SER HA 2.758 . 3.709 2.853 2.840 2.867 . 0 0 "[ . 1]" 2
834 1 64 ASN HD21 1 87 VAL HA 3.476 . 4.986 4.949 4.644 5.027 0.041 3 0 "[ . 1]" 2
835 1 64 ASN HD22 1 83 SER HB3 3.234 . 4.541 3.879 3.622 4.259 . 0 0 "[ . 1]" 2
836 1 64 ASN HD22 1 83 SER HB2 3.254 . 4.577 2.699 2.491 3.064 . 0 0 "[ . 1]" 2
837 1 31 SER H 1 31 SER HB3 3.065 . 4.240 3.592 3.035 3.996 . 0 0 "[ . 1]" 2
838 1 31 SER H 1 31 SER HB2 2.855 . 3.874 3.128 2.460 3.922 0.048 6 0 "[ . 1]" 2
839 1 64 ASN HD21 1 83 SER HB2 3.456 . 4.949 2.792 2.282 2.997 . 0 0 "[ . 1]" 2
840 1 64 ASN HD21 1 83 SER HB3 3.476 . 4.986 4.444 3.938 4.635 . 0 0 "[ . 1]" 2
841 1 61 THR H 1 90 SER HB3 3.574 . 5.171 3.323 3.219 3.431 . 0 0 "[ . 1]" 2
842 1 90 SER HB3 1 91 THR H 3.040 . 4.195 4.108 4.012 4.211 0.016 3 0 "[ . 1]" 2
843 1 72 VAL H 1 72 VAL HB 3.269 . 4.605 2.308 2.254 2.415 . 0 0 "[ . 1]" 2
844 1 30 ASP QB 1 31 SER H 3.529 . 5.086 3.442 2.746 4.021 . 0 0 "[ . 1]" 2
845 1 72 VAL H 1 75 GLU QG 3.036 . 4.188 2.883 2.553 3.110 . 0 0 "[ . 1]" 2
846 1 48 PRO HB3 1 50 SER H 3.350 . 4.753 4.852 4.807 4.897 0.144 7 0 "[ . 1]" 2
847 1 56 GLN HG3 1 57 GLY H 2.982 . 4.094 2.735 2.629 2.898 . 0 0 "[ . 1]" 2
848 1 56 GLN HB2 1 57 GLY H 2.984 . 4.097 4.148 4.121 4.175 0.078 3 0 "[ . 1]" 2
849 1 60 ILE HB 1 61 THR H 3.295 . 4.652 4.256 4.225 4.294 . 0 0 "[ . 1]" 2
850 1 72 VAL H 1 75 GLU HB3 3.061 . 4.232 3.328 3.197 3.404 . 0 0 "[ . 1]" 2
851 1 71 LEU HB2 1 72 VAL H 3.116 . 4.330 4.044 3.959 4.142 . 0 0 "[ . 1]" 2
852 1 5 ARG QB 1 91 THR H 3.137 . 4.367 3.506 3.404 3.688 . 0 0 "[ . 1]" 2
853 1 71 LEU HB3 1 72 VAL H 2.651 . 3.529 2.972 2.857 3.066 . 0 0 "[ . 1]" 2
854 1 49 ALA MB 1 50 SER H 2.510 . 3.297 2.808 2.727 2.861 . 0 0 "[ . 1]" 2
855 1 61 THR H 1 61 THR MG 2.659 . 3.543 2.399 2.299 2.462 . 0 0 "[ . 1]" 2
856 1 61 THR H 1 91 THR MG 3.149 . 4.389 4.175 4.090 4.315 . 0 0 "[ . 1]" 2
857 1 60 ILE MG 1 61 THR H 2.524 . 3.320 2.726 2.668 2.773 . 0 0 "[ . 1]" 2
858 1 71 LEU QD 1 72 VAL H 2.695 . 3.603 3.336 3.238 3.407 . 0 0 "[ . 1]" 2
859 1 61 THR MG 1 91 THR H 3.529 . 5.086 5.087 5.058 5.121 0.035 2 0 "[ . 1]" 2
860 1 91 THR H 1 91 THR MG 2.608 . 3.458 2.669 2.601 2.767 . 0 0 "[ . 1]" 2
861 1 10 ILE MG 1 50 SER H 3.474 . 4.982 4.621 4.552 4.705 . 0 0 "[ . 1]" 2
862 1 43 VAL MG2 1 50 SER H 2.531 . 3.332 2.276 2.238 2.333 . 0 0 "[ . 1]" 2
863 1 64 ASN HD22 1 87 VAL MG2 3.109 . 4.317 3.590 3.278 3.818 . 0 0 "[ . 1]" 2
864 1 64 ASN HD21 1 87 VAL MG2 3.324 . 4.705 3.682 2.881 3.906 . 0 0 "[ . 1]" 2
865 1 40 VAL MG2 1 57 GLY H 2.817 . 3.809 3.054 2.808 3.228 . 0 0 "[ . 1]" 2
866 1 72 VAL H 1 76 VAL MG1 3.640 . 5.296 4.793 4.641 4.921 . 0 0 "[ . 1]" 2
867 1 26 VAL H 1 35 THR H 3.096 . 4.294 3.419 3.089 3.653 . 0 0 "[ . 1]" 2
868 1 42 HIS H 1 43 VAL H 3.271 . 4.608 4.112 4.065 4.184 . 0 0 "[ . 1]" 2
869 1 34 TYR QD 1 35 THR H 2.938 . 4.017 3.656 3.463 3.848 . 0 0 "[ . 1]" 2
870 1 41 TRP HD1 1 42 HIS H 3.387 . 4.821 4.839 4.665 4.910 0.089 7 0 "[ . 1]" 2
871 1 19 PHE QD 1 42 HIS H 3.406 . 4.856 4.828 4.710 4.889 0.033 7 0 "[ . 1]" 2
872 1 19 PHE HA 1 42 HIS H 3.269 . 4.605 4.324 4.193 4.443 . 0 0 "[ . 1]" 2
873 1 34 TYR HA 1 35 THR H 2.527 . 3.325 2.299 2.259 2.336 . 0 0 "[ . 1]" 2
874 1 20 THR HA 1 42 HIS H 3.494 . 5.020 4.566 4.493 4.658 . 0 0 "[ . 1]" 2
875 1 35 THR H 1 35 THR HA 2.997 . 4.120 2.945 2.932 2.955 . 0 0 "[ . 1]" 2
876 1 69 HIS HA 1 70 GLY H 2.965 . 4.064 2.242 2.212 2.264 . 0 0 "[ . 1]" 2
877 1 42 HIS H 1 42 HIS HA 2.610 . 3.462 2.900 2.886 2.911 . 0 0 "[ . 1]" 2
878 1 35 THR H 1 35 THR HB 3.031 . 4.179 3.256 3.110 3.371 . 0 0 "[ . 1]" 2
879 1 20 THR HB 1 42 HIS H 2.379 . 3.087 1.956 1.801 2.086 . 0 0 "[ . 1]" 2
880 1 69 HIS HB2 1 70 GLY H 3.567 . 5.157 4.554 4.521 4.580 . 0 0 "[ . 1]" 2
881 1 42 HIS H 1 42 HIS HB2 2.661 . 3.546 3.021 2.969 3.073 . 0 0 "[ . 1]" 2
882 1 42 HIS H 1 42 HIS HB3 2.564 . 3.386 3.170 3.078 3.216 . 0 0 "[ . 1]" 2
883 1 34 TYR HB2 1 35 THR H 2.817 . 3.809 2.743 2.588 2.859 . 0 0 "[ . 1]" 2
884 1 22 ARG QD 1 42 HIS H 3.490 . 5.013 5.118 5.061 5.185 0.172 4 0 "[ . 1]" 2
885 1 34 TYR HB3 1 35 THR H 3.002 . 4.129 3.943 3.790 4.074 . 0 0 "[ . 1]" 2
886 1 42 HIS H 1 56 GLN HG3 3.518 . 5.065 3.962 3.790 4.195 . 0 0 "[ . 1]" 2
887 1 20 THR MG 1 42 HIS H 2.895 . 3.943 3.578 3.459 3.708 . 0 0 "[ . 1]" 2
888 1 35 THR H 1 35 THR MG 3.073 . 4.253 3.662 3.492 3.795 . 0 0 "[ . 1]" 2
889 1 33 VAL MG2 1 35 THR H 3.268 . 4.603 4.601 4.474 4.651 0.048 1 0 "[ . 1]" 2
890 1 40 VAL MG2 1 42 HIS H 2.605 . 3.453 2.681 2.565 2.738 . 0 0 "[ . 1]" 2
891 1 81 LEU H 1 83 SER H 3.520 . 5.069 4.253 4.148 4.315 . 0 0 "[ . 1]" 2
892 1 82 LYS H 1 83 SER H 2.391 . 3.105 2.695 2.654 2.733 . 0 0 "[ . 1]" 2
893 1 64 ASN HD22 1 83 SER H 3.406 . 4.856 4.799 4.650 4.949 0.093 3 0 "[ . 1]" 2
894 1 83 SER H 1 84 GLY H 2.838 . 3.845 2.888 2.817 2.953 . 0 0 "[ . 1]" 2
895 1 83 SER H 1 83 SER HB3 2.259 . 2.897 2.576 2.511 2.765 . 0 0 "[ . 1]" 2
896 1 80 ILE HA 1 83 SER H 2.987 . 4.102 3.550 3.469 3.599 . 0 0 "[ . 1]" 2
897 1 82 LYS QD 1 83 SER H 3.052 . 4.216 4.300 4.243 4.359 0.143 7 0 "[ . 1]" 2
898 1 83 SER H 1 87 VAL MG2 2.920 . 3.986 4.035 4.017 4.062 0.076 6 0 "[ . 1]" 2
899 1 62 HIS HD2 1 68 VAL H 3.484 . 5.001 4.316 4.108 5.012 0.011 4 0 "[ . 1]" 2
900 1 62 HIS HA 1 68 VAL H 2.757 . 3.707 2.709 2.544 2.870 . 0 0 "[ . 1]" 2
901 1 67 PRO HA 1 68 VAL H 2.177 . 2.770 2.064 2.052 2.073 . 0 0 "[ . 1]" 2
902 1 67 PRO HD3 1 68 VAL H 3.607 . 5.233 5.223 5.166 5.263 0.030 6 0 "[ . 1]" 2
903 1 68 VAL H 1 68 VAL HB 3.010 . 4.143 3.681 3.670 3.689 . 0 0 "[ . 1]" 2
904 1 67 PRO QB 1 68 VAL H 2.702 . 3.614 3.216 3.122 3.317 . 0 0 "[ . 1]" 2
905 1 68 VAL H 1 68 VAL QG 2.200 . 2.805 1.919 1.897 1.947 . 0 0 "[ . 1]" 2
906 1 68 VAL H 1 76 VAL MG1 3.662 . 5.339 4.995 4.848 5.172 . 0 0 "[ . 1]" 2
907 1 17 TYR H 1 18 GLY H 2.527 . 3.325 2.334 2.237 2.400 . 0 0 "[ . 1]" 2
908 1 18 GLY H 1 19 PHE QD 3.172 . 4.430 4.145 4.026 4.384 . 0 0 "[ . 1]" 2
909 1 16 LYS HA 1 18 GLY H 2.956 . 4.048 3.989 3.930 4.037 . 0 0 "[ . 1]" 2
910 1 18 GLY H 1 18 GLY HA3 2.629 . 3.493 2.744 2.718 2.783 . 0 0 "[ . 1]" 2
911 1 18 GLY H 1 18 GLY HA2 2.461 . 3.218 2.257 2.247 2.266 . 0 0 "[ . 1]" 2
912 1 17 TYR HB2 1 18 GLY H 3.228 . 4.530 3.619 3.531 3.685 . 0 0 "[ . 1]" 2
913 1 16 LYS HB2 1 18 GLY H 2.662 . 3.548 2.383 2.256 2.508 . 0 0 "[ . 1]" 2
914 1 16 LYS HB3 1 18 GLY H 2.819 . 3.812 3.906 3.860 3.937 0.125 10 0 "[ . 1]" 2
915 1 47 GLY H 1 50 SER H 3.164 . 4.415 4.473 4.420 4.526 0.111 8 0 "[ . 1]" 2
916 1 47 GLY H 1 51 GLU H 3.404 . 4.853 3.617 3.447 3.845 . 0 0 "[ . 1]" 2
917 1 73 HIS HD2 1 74 THR H 3.431 . 4.903 4.001 3.520 4.289 . 0 0 "[ . 1]" 2
918 1 47 GLY H 1 47 GLY HA3 2.425 . 3.160 2.869 2.806 2.900 . 0 0 "[ . 1]" 2
919 1 74 THR H 1 74 THR HB 2.953 . 4.043 3.574 3.542 3.625 . 0 0 "[ . 1]" 2
920 1 73 HIS HA 1 74 THR H 3.233 . 4.539 3.525 3.512 3.547 . 0 0 "[ . 1]" 2
921 1 47 GLY H 1 47 GLY HA2 2.126 . 2.691 2.731 2.693 2.793 0.102 10 0 "[ . 1]" 2
922 1 74 THR H 1 74 THR HA 2.729 . 3.660 2.855 2.828 2.892 . 0 0 "[ . 1]" 2
923 1 46 GLY HA2 1 47 GLY H 2.630 . 3.494 3.352 3.154 3.501 0.007 10 0 "[ . 1]" 2
924 1 47 GLY H 1 48 PRO HD3 3.107 . 4.313 3.100 2.818 3.490 . 0 0 "[ . 1]" 2
925 1 73 HIS HB2 1 74 THR H 2.726 . 3.655 3.508 3.426 3.645 . 0 0 "[ . 1]" 2
926 1 73 HIS HB3 1 74 THR H 2.944 . 4.027 2.272 2.140 2.378 . 0 0 "[ . 1]" 2
927 1 72 VAL HB 1 74 THR H 3.437 . 4.914 4.732 4.643 4.822 . 0 0 "[ . 1]" 2
928 1 47 GLY H 1 51 GLU HG2 3.344 . 4.741 3.407 2.702 3.857 . 0 0 "[ . 1]" 2
929 1 44 GLU HB3 1 47 GLY H 3.265 . 4.598 4.392 4.108 4.628 0.030 7 0 "[ . 1]" 2
930 1 84 GLY H 1 84 GLY HA3 2.646 . 3.521 2.949 2.942 2.953 . 0 0 "[ . 1]" 2
931 1 53 GLY H 1 54 LEU H 2.189 . 2.788 2.036 1.983 2.087 . 0 0 "[ . 1]" 2
932 1 53 GLY H 1 53 GLY HA2 2.352 . 3.043 2.546 2.521 2.573 . 0 0 "[ . 1]" 2
933 1 51 GLU HA 1 53 GLY H 2.814 . 3.804 3.832 3.752 3.910 0.106 2 0 "[ . 1]" 2
934 1 51 GLU QB 1 53 GLY H 3.448 . 4.934 4.614 4.576 4.673 . 0 0 "[ . 1]" 2
935 1 53 GLY H 1 54 LEU HB2 3.241 . 4.554 4.190 4.078 4.337 . 0 0 "[ . 1]" 2
936 1 8 ILE MG 1 53 GLY H 3.164 . 4.415 3.219 3.131 3.273 . 0 0 "[ . 1]" 2
937 1 65 GLY H 1 65 GLY HA2 2.940 . 4.020 2.313 2.305 2.326 . 0 0 "[ . 1]" 2
938 1 65 GLY H 1 65 GLY HA3 2.903 . 3.956 2.863 2.840 2.887 . 0 0 "[ . 1]" 2
939 1 64 ASN QB 1 65 GLY H 3.626 . 5.269 3.772 3.727 3.808 . 0 0 "[ . 1]" 2
940 1 62 HIS HB3 1 65 GLY H 3.594 . 5.209 3.327 3.204 3.460 . 0 0 "[ . 1]" 2
941 1 74 THR H 1 75 GLU HB2 3.875 . 5.752 4.519 4.380 4.603 . 0 0 "[ . 1]" 2
942 1 74 THR H 1 75 GLU QG 3.762 . 5.531 4.475 4.322 4.636 . 0 0 "[ . 1]" 2
943 1 74 THR H 1 77 VAL HB 3.821 . 5.646 5.319 5.247 5.391 . 0 0 "[ . 1]" 2
944 1 18 GLY H 1 48 PRO HD3 3.837 . 5.678 5.928 5.852 6.043 0.365 9 0 "[ . 1]" 2
945 1 16 LYS H 1 18 GLY H 3.871 . 5.744 4.151 4.056 4.287 . 0 0 "[ . 1]" 2
946 1 16 LYS H 1 16 LYS QE 3.806 . 5.616 4.564 4.254 5.232 . 0 0 "[ . 1]" 2
947 1 12 ARG HD2 1 16 LYS H 3.708 . 5.427 5.423 5.293 5.475 0.048 9 0 "[ . 1]" 2
948 1 77 VAL HA 1 80 ILE H 2.664 . 3.551 3.612 3.561 3.641 0.090 10 0 "[ . 1]" 2
949 1 82 LYS H 1 82 LYS QE 3.849 . 5.701 4.174 4.039 4.326 . 0 0 "[ . 1]" 2
950 1 78 GLU HG2 1 82 LYS H 3.744 . 5.497 5.545 5.487 5.603 0.106 8 0 "[ . 1]" 2
951 1 62 HIS HA 1 69 HIS H 3.769 . 5.545 4.751 4.562 4.924 . 0 0 "[ . 1]" 2
952 1 69 HIS H 1 71 LEU HG 3.875 . 5.752 4.297 4.154 4.417 . 0 0 "[ . 1]" 2
953 1 71 LEU H 1 75 GLU HB2 3.728 . 5.465 5.409 5.296 5.473 0.008 10 0 "[ . 1]" 2
954 1 73 HIS HB2 1 75 GLU H 3.915 . 5.831 5.395 5.287 5.499 . 0 0 "[ . 1]" 2
955 1 63 VAL H 1 65 GLY HA3 3.741 . 5.490 5.612 5.567 5.650 0.160 3 0 "[ . 1]" 2
956 1 63 VAL H 1 66 GLU HA 3.715 . 5.440 4.454 4.392 4.573 . 0 0 "[ . 1]" 2
957 1 38 HIS HB2 1 60 ILE H 3.648 . 5.312 4.173 3.995 4.352 . 0 0 "[ . 1]" 2
958 1 38 HIS HB3 1 60 ILE H 3.802 . 5.609 4.993 4.743 5.153 . 0 0 "[ . 1]" 2
959 1 66 GLU H 1 79 LEU HG 3.769 . 5.545 5.591 5.547 5.632 0.087 5 0 "[ . 1]" 2
960 1 44 GLU H 1 54 LEU MD1 3.985 . 5.970 5.977 5.935 6.010 0.040 9 0 "[ . 1]" 2
961 1 64 ASN H 1 65 GLY HA3 3.751 . 5.510 5.285 5.248 5.331 . 0 0 "[ . 1]" 2
962 1 62 HIS HB2 1 64 ASN H 3.813 . 5.631 5.245 5.081 5.504 . 0 0 "[ . 1]" 2
963 1 40 VAL HB 1 41 TRP H 3.765 . 5.537 4.287 4.235 4.326 . 0 0 "[ . 1]" 2
964 1 22 ARG QD 1 41 TRP H 4.023 . 6.046 4.129 3.990 4.204 . 0 0 "[ . 1]" 2
965 1 39 MET HB3 1 41 TRP H 3.762 . 5.531 4.986 4.485 5.254 . 0 0 "[ . 1]" 2
966 1 41 TRP H 1 41 TRP HD1 3.858 . 5.718 5.255 5.208 5.291 . 0 0 "[ . 1]" 2
967 1 19 PHE H 1 54 LEU MD1 3.969 . 5.938 5.385 4.788 5.681 . 0 0 "[ . 1]" 2
968 1 71 LEU H 1 71 LEU HA 2.708 . 3.624 2.877 2.870 2.886 . 0 0 "[ . 1]" 2
969 1 72 VAL HA 1 73 HIS H 3.312 . 4.683 2.476 2.450 2.504 . 0 0 "[ . 1]" 2
970 1 11 HIS H 1 86 LYS HA 3.755 . 5.517 4.611 4.452 4.687 . 0 0 "[ . 1]" 2
971 1 72 VAL MG2 1 73 HIS H 3.930 . 5.860 1.970 1.942 2.034 0.058 4 0 "[ . 1]" 2
972 1 7 PRO HB2 1 90 SER H 3.692 . 5.396 5.426 5.397 5.450 0.054 4 0 "[ . 1]" 2
973 1 57 GLY H 1 58 ASP HB2 3.758 . 5.524 4.438 4.236 4.610 . 0 0 "[ . 1]" 2
974 1 40 VAL H 1 58 ASP H 3.985 . 5.970 3.444 2.996 3.825 . 0 0 "[ . 1]" 2
975 1 58 ASP H 1 59 LEU H 3.985 . 5.970 4.469 4.332 4.573 . 0 0 "[ . 1]" 2
976 1 59 LEU H 1 92 THR H 2.672 . 3.564 2.990 2.855 3.168 . 0 0 "[ . 1]" 2
977 1 59 LEU HG 1 60 ILE H 2.589 . 3.427 2.990 2.865 3.299 . 0 0 "[ . 1]" 2
978 1 40 VAL H 1 60 ILE H 3.939 . 5.879 4.185 4.120 4.268 . 0 0 "[ . 1]" 2
979 1 38 HIS H 1 60 ILE H 3.939 . 5.879 3.948 3.851 4.081 . 0 0 "[ . 1]" 2
980 1 22 ARG H 1 41 TRP H 3.325 . 4.707 2.757 2.666 2.833 . 0 0 "[ . 1]" 2
981 1 18 GLY H 1 49 ALA H 3.964 . 5.928 4.745 4.562 5.150 . 0 0 "[ . 1]" 2
982 1 65 GLY H 1 68 VAL QG 3.925 . 5.850 5.750 5.610 5.824 . 0 0 "[ . 1]" 2
983 1 65 GLY H 1 88 ALA MB 3.884 . 5.769 3.705 3.589 3.796 . 0 0 "[ . 1]" 2
984 1 62 HIS HB2 1 65 GLY H 3.738 . 5.484 4.256 4.125 4.378 . 0 0 "[ . 1]" 2
985 1 73 HIS H 1 74 THR H 3.817 . 5.639 2.994 2.946 3.028 . 0 0 "[ . 1]" 2
986 1 45 ASP QB 1 47 GLY H 3.708 . 5.427 4.935 4.762 5.187 . 0 0 "[ . 1]" 2
987 1 68 VAL H 1 69 HIS HD2 3.738 . 5.484 3.159 2.889 3.563 . 0 0 "[ . 1]" 2
988 1 68 VAL H 1 71 LEU HG 3.806 . 5.616 4.812 4.714 4.894 . 0 0 "[ . 1]" 2
989 1 62 HIS HB2 1 68 VAL H 3.875 . 5.752 5.584 5.466 5.741 . 0 0 "[ . 1]" 2
990 1 64 ASN H 1 90 SER H 3.711 . 5.433 4.021 3.936 4.192 . 0 0 "[ . 1]" 2
991 1 35 THR HB 1 37 HIS H 4.012 . 6.024 4.444 4.149 4.903 . 0 0 "[ . 1]" 2
992 1 17 TYR QD 1 18 GLY H 3.172 . 4.430 4.239 4.096 4.324 . 0 0 "[ . 1]" 2
993 1 31 SER HB2 1 33 VAL H 2.502 . 3.285 2.573 2.223 3.249 . 0 0 "[ . 1]" 2
994 1 82 LYS QG 1 83 SER H 3.052 . 4.216 4.019 3.908 4.098 . 0 0 "[ . 1]" 2
995 1 69 HIS H 1 69 HIS HB2 2.326 . 3.002 2.151 2.070 2.235 . 0 0 "[ . 1]" 2
996 1 69 HIS HB3 1 70 GLY H 3.567 . 5.157 3.989 3.914 4.039 . 0 0 "[ . 1]" 2
997 1 27 TYR H 1 27 TYR HB2 2.989 . 4.105 2.335 2.225 2.896 . 0 0 "[ . 1]" 2
998 1 77 VAL HB 1 78 GLU H 2.120 . 2.682 2.411 2.362 2.454 . 0 0 "[ . 1]" 2
999 1 51 GLU H 1 51 GLU HG2 2.016 . 2.524 2.402 2.261 2.545 0.021 3 0 "[ . 1]" 2
1000 1 66 GLU H 1 67 PRO HD3 2.908 . 3.965 3.965 3.668 4.066 0.101 1 0 "[ . 1]" 2
1001 1 12 ARG H 1 12 ARG HB3 2.368 . 3.069 2.595 2.510 2.810 . 0 0 "[ . 1]" 2
1002 1 78 GLU H 1 78 GLU HG2 2.657 . 3.539 3.551 3.451 3.618 0.079 4 0 "[ . 1]" 2
1003 1 50 SER HB2 1 51 GLU H 2.084 . 2.627 2.619 2.329 2.678 0.051 5 0 "[ . 1]" 2
1004 1 56 GLN H 1 56 GLN HB2 2.234 . 2.858 2.353 2.301 2.410 . 0 0 "[ . 1]" 2
1005 1 24 ILE H 1 36 VAL QG 3.026 . 4.171 3.766 3.595 3.956 . 0 0 "[ . 1]" 2
1006 1 37 HIS HB2 1 38 HIS H 2.867 . 3.894 3.231 3.143 3.342 . 0 0 "[ . 1]" 2
1007 1 35 THR MG 1 36 VAL H 2.622 . 3.481 2.976 2.680 3.180 . 0 0 "[ . 1]" 2
1008 1 76 VAL H 1 77 VAL H 2.284 . 2.936 2.624 2.595 2.661 . 0 0 "[ . 1]" 2
1009 1 92 THR H 1 93 PRO HD3 3.645 . 5.306 4.084 3.986 4.168 . 0 0 "[ . 1]" 2
1010 1 50 SER H 1 54 LEU MD1 3.734 . 5.477 4.852 4.734 4.965 . 0 0 "[ . 1]" 2
1011 1 64 ASN HD21 1 83 SER HA 3.456 . 4.949 3.286 3.144 3.491 . 0 0 "[ . 1]" 2
1012 1 64 ASN HD22 1 83 SER HA 3.254 . 4.577 2.999 2.844 3.131 . 0 0 "[ . 1]" 2
1013 1 83 SER H 1 87 VAL MG1 3.794 . 5.594 5.570 5.501 5.639 0.045 9 0 "[ . 1]" 2
1014 1 9 ILE MG 1 88 ALA H 2.894 . 3.941 4.012 3.979 4.033 0.092 3 0 "[ . 1]" 2
1015 1 68 VAL H 1 69 HIS HB2 3.518 . 5.065 3.952 3.812 4.081 . 0 0 "[ . 1]" 2
1016 1 41 TRP HB2 1 42 HIS H 2.564 . 3.386 3.465 3.418 3.565 0.179 1 0 "[ . 1]" 2
1017 1 41 TRP HB3 1 42 HIS H 2.661 . 3.546 2.556 2.449 2.627 . 0 0 "[ . 1]" 2
1018 1 82 LYS H 1 82 LYS HB3 2.109 . 2.665 2.709 2.665 2.744 0.079 6 0 "[ . 1]" 2
1019 1 78 GLU HB2 1 79 LEU H 2.098 . 2.648 2.627 2.572 2.664 0.016 5 0 "[ . 1]" 2
1020 1 64 ASN H 1 87 VAL MG1 3.718 . 5.446 5.212 5.114 5.346 . 0 0 "[ . 1]" 2
1021 1 21 LEU H 1 22 ARG H 3.230 . 4.534 3.955 3.880 4.034 . 0 0 "[ . 1]" 2
1022 1 34 TYR H 1 34 TYR HB2 3.003 . 4.130 3.934 3.867 4.015 . 0 0 "[ . 1]" 2
1023 1 56 GLN HG2 1 57 GLY H 2.982 . 4.094 2.956 2.731 3.256 . 0 0 "[ . 1]" 2
1024 1 82 LYS HB3 1 83 SER H 2.639 . 3.509 2.517 2.445 2.578 . 0 0 "[ . 1]" 2
1025 1 20 THR H 1 54 LEU MD1 3.944 . 5.888 5.415 5.302 5.539 . 0 0 "[ . 1]" 2
1026 1 95 GLU HB3 1 96 ASN H 2.866 . 3.892 3.875 3.700 3.970 0.078 10 0 "[ . 1]" 2
1027 1 95 GLU HB2 1 96 ASN H 2.866 . 3.892 2.503 2.221 2.666 . 0 0 "[ . 1]" 2
1028 1 38 HIS HD2 1 71 LEU HB2 3.147 . 4.385 3.381 3.149 3.553 . 0 0 "[ . 1]" 2
1029 1 63 VAL MG2 1 88 ALA H 2.894 . 3.941 4.021 3.985 4.041 0.100 6 0 "[ . 1]" 2
1030 1 56 GLN HB3 1 57 GLY H 2.984 . 4.097 3.955 3.838 4.081 . 0 0 "[ . 1]" 2
1031 1 10 ILE H 1 10 ILE MD 2.308 . 2.974 2.961 2.865 3.030 0.056 10 0 "[ . 1]" 2
1032 1 26 VAL HB 1 35 THR H 3.002 . 4.129 4.226 4.187 4.264 0.135 9 0 "[ . 1]" 2
1033 1 34 TYR H 1 35 THR H 3.762 . 5.531 4.344 4.279 4.383 . 0 0 "[ . 1]" 2
1034 1 17 TYR H 1 18 GLY HA3 3.527 . 5.082 4.963 4.912 5.007 . 0 0 "[ . 1]" 2
1035 1 24 ILE H 1 24 ILE HB 2.794 . 3.770 3.815 3.795 3.860 0.090 2 0 "[ . 1]" 2
1036 1 15 LYS QD 1 16 LYS H 2.339 . 3.023 2.947 2.696 3.085 0.062 7 0 "[ . 1]" 2
1037 1 12 ARG HG3 1 16 LYS H 3.139 . 4.371 3.276 3.097 3.451 . 0 0 "[ . 1]" 2
1038 1 19 PHE H 1 43 VAL MG2 2.967 . 4.067 4.036 3.413 4.282 0.215 4 0 "[ . 1]" 2
1039 1 10 ILE MG 1 17 TYR H 3.399 . 4.843 4.324 4.180 4.520 . 0 0 "[ . 1]" 2
1040 1 15 LYS HB2 1 16 LYS H 2.339 . 3.023 2.317 2.160 2.498 . 0 0 "[ . 1]" 2
1041 1 12 ARG HG2 1 16 LYS H 3.139 . 4.371 4.142 3.877 4.389 0.018 9 0 "[ . 1]" 2
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