NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
577175 |
2mj9   |
19712 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mj9
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 584
_Distance_constraint_stats_list.Viol_count 852
_Distance_constraint_stats_list.Viol_total 448.136
_Distance_constraint_stats_list.Viol_max 0.231
_Distance_constraint_stats_list.Viol_rms 0.0270
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0526
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLU 0.000 0.000 . 0 "[ . 1]"
1 4 GLY 0.000 0.000 . 0 "[ . 1]"
1 5 THR 0.000 0.000 . 0 "[ . 1]"
1 6 PHE 0.008 0.007 9 0 "[ . 1]"
1 7 THR 0.016 0.008 1 0 "[ . 1]"
1 8 SER 0.169 0.027 2 0 "[ . 1]"
1 9 ASP 3.724 0.147 1 0 "[ . 1]"
1 10 LEU 2.671 0.144 6 0 "[ . 1]"
1 11 SER 3.458 0.231 6 0 "[ . 1]"
1 12 LYS 5.850 0.194 1 0 "[ . 1]"
1 13 GLN 4.932 0.209 6 0 "[ . 1]"
1 14 MET 6.243 0.231 6 0 "[ . 1]"
1 15 GLU 1.953 0.144 6 0 "[ . 1]"
1 16 GLU 5.031 0.209 6 0 "[ . 1]"
1 17 GLU 3.882 0.113 1 0 "[ . 1]"
1 18 DAL 0.515 0.064 6 0 "[ . 1]"
1 19 VAL 2.487 0.092 8 0 "[ . 1]"
1 20 ARG 0.525 0.034 9 0 "[ . 1]"
1 21 LEU 4.021 0.130 7 0 "[ . 1]"
1 22 TYR 5.572 0.187 2 0 "[ . 1]"
1 23 ILE 4.574 0.187 2 0 "[ . 1]"
1 24 GLN 3.598 0.130 7 0 "[ . 1]"
1 25 TRP 6.363 0.134 1 0 "[ . 1]"
1 26 LEU 2.266 0.096 4 0 "[ . 1]"
1 27 LYS 1.061 0.100 5 0 "[ . 1]"
1 28 GLU 0.288 0.028 8 0 "[ . 1]"
1 29 GLY 1.951 0.156 7 0 "[ . 1]"
1 30 GLY 2.333 0.187 2 0 "[ . 1]"
1 31 PRO 6.292 0.187 2 0 "[ . 1]"
1 32 SER 0.000 0.000 . 0 "[ . 1]"
1 33 SER 0.069 0.010 4 0 "[ . 1]"
1 34 GLY 0.000 0.000 . 0 "[ . 1]"
1 35 ARG 0.765 0.054 6 0 "[ . 1]"
1 36 PRO 1.017 0.104 4 0 "[ . 1]"
1 37 PRO 1.004 0.104 4 0 "[ . 1]"
1 38 PRO 0.943 0.046 1 0 "[ . 1]"
1 39 SER 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU HA 1 4 GLY H 1.800 . 5.000 2.904 2.192 3.569 . 0 0 "[ . 1]" 1
2 1 5 THR H 1 5 THR MG 1.800 . 5.000 3.372 2.012 3.901 . 0 0 "[ . 1]" 1
3 1 5 THR HA 1 5 THR MG 1.800 . 4.500 2.359 2.058 3.226 . 0 0 "[ . 1]" 1
4 1 5 THR HA 1 6 PHE H 1.800 . 5.000 2.776 2.160 3.555 . 0 0 "[ . 1]" 1
5 1 5 THR HB 1 6 PHE QE 1.800 . 6.500 5.421 3.795 6.318 . 0 0 "[ . 1]" 1
6 1 6 PHE HA 1 6 PHE QD 1.800 . 4.500 3.679 3.591 3.726 . 0 0 "[ . 1]" 1
7 1 6 PHE HB2 1 7 THR HB 1.800 . 6.000 5.501 5.027 6.007 0.007 9 0 "[ . 1]" 1
8 1 6 PHE HB2 1 7 THR HG1 1.800 . 6.000 4.192 3.048 5.106 . 0 0 "[ . 1]" 1
9 1 6 PHE QD 1 7 THR MG 1.800 . 6.500 4.161 1.953 5.372 . 0 0 "[ . 1]" 1
10 1 6 PHE QD 1 10 LEU MD1 1.800 . 7.000 4.908 2.441 6.759 . 0 0 "[ . 1]" 1
11 1 6 PHE QD 1 10 LEU MD2 1.800 . 7.500 5.357 3.620 7.096 . 0 0 "[ . 1]" 1
12 1 6 PHE QE 1 7 THR HA 1.800 . 6.500 5.488 4.719 6.072 . 0 0 "[ . 1]" 1
13 1 6 PHE QE 1 10 LEU MD1 1.800 . 7.500 5.572 3.723 7.501 0.001 1 0 "[ . 1]" 1
14 1 7 THR HA 1 7 THR MG 1.800 . 4.500 2.340 2.039 3.191 . 0 0 "[ . 1]" 1
15 1 7 THR HA 1 8 SER HA 1.800 . 5.500 4.528 4.357 5.314 . 0 0 "[ . 1]" 1
16 1 7 THR HA 1 10 LEU MD1 1.800 . 5.500 3.198 1.870 5.330 . 0 0 "[ . 1]" 1
17 1 7 THR HB 1 10 LEU MD1 1.800 . 5.500 3.506 1.950 4.482 . 0 0 "[ . 1]" 1
18 1 7 THR HB 1 10 LEU MD2 1.800 . 5.500 3.682 2.432 5.195 . 0 0 "[ . 1]" 1
19 1 7 THR MG 1 8 SER HA 1.800 . 6.000 4.484 3.515 5.859 . 0 0 "[ . 1]" 1
20 1 7 THR MG 1 10 LEU QB 1.800 . 5.500 4.431 3.307 5.508 0.008 1 0 "[ . 1]" 1
21 1 8 SER H 1 8 SER HB3 1.800 . 4.000 3.485 2.728 3.912 . 0 0 "[ . 1]" 1
22 1 8 SER H 1 10 LEU QB 1.800 . 5.500 4.752 4.084 5.512 0.012 6 0 "[ . 1]" 1
23 1 8 SER HA 1 9 ASP H 1.800 . 5.000 3.409 2.881 3.573 . 0 0 "[ . 1]" 1
24 1 8 SER HA 1 10 LEU H 1.800 . 5.500 3.696 3.415 4.003 . 0 0 "[ . 1]" 1
25 1 8 SER HA 1 10 LEU MD1 1.800 . 6.000 3.237 2.716 3.935 . 0 0 "[ . 1]" 1
26 1 8 SER HA 1 11 SER HB2 1.800 . 5.000 5.014 5.006 5.027 0.027 2 0 "[ . 1]" 1
27 1 8 SER HA 1 11 SER HB3 1.800 . 5.000 4.247 3.787 4.552 . 0 0 "[ . 1]" 1
28 1 8 SER HB2 1 10 LEU MD2 1.800 . 6.500 5.755 5.050 6.514 0.014 8 0 "[ . 1]" 1
29 1 9 ASP HA 1 10 LEU H 1.800 . 3.500 2.874 2.801 2.959 . 0 0 "[ . 1]" 1
30 1 9 ASP HA 1 10 LEU QB 1.800 . 5.000 5.097 5.080 5.115 0.115 3 0 "[ . 1]" 1
31 1 9 ASP HA 1 12 LYS HB2 1.800 . 5.000 3.836 3.789 3.873 . 0 0 "[ . 1]" 1
32 1 9 ASP HA 1 12 LYS HB3 1.800 . 5.000 5.120 5.114 5.126 0.126 1 0 "[ . 1]" 1
33 1 9 ASP HA 1 12 LYS QD 1.800 . 5.000 5.017 5.002 5.028 0.028 3 0 "[ . 1]" 1
34 1 9 ASP HA 1 12 LYS QE 1.800 . 6.000 5.135 4.873 5.309 . 0 0 "[ . 1]" 1
35 1 9 ASP HA 1 14 MET HG2 1.800 . 6.000 6.138 6.133 6.147 0.147 1 0 "[ . 1]" 1
36 1 9 ASP HB2 1 10 LEU H 1.800 . 5.000 4.213 4.016 4.425 . 0 0 "[ . 1]" 1
37 1 9 ASP HB3 1 10 LEU H 1.800 . 5.000 4.409 4.140 4.637 . 0 0 "[ . 1]" 1
38 1 10 LEU H 1 10 LEU QB 1.800 . 4.500 3.120 3.073 3.166 . 0 0 "[ . 1]" 1
39 1 10 LEU H 1 10 LEU MD1 1.800 . 4.500 1.914 1.869 1.956 . 0 0 "[ . 1]" 1
40 1 10 LEU H 1 10 LEU MD2 1.800 . 5.000 2.674 1.938 3.982 . 0 0 "[ . 1]" 1
41 1 10 LEU HA 1 10 LEU MD1 1.800 . 4.500 3.379 3.319 3.443 . 0 0 "[ . 1]" 1
42 1 10 LEU HA 1 10 LEU MD2 1.800 . 4.500 3.649 3.420 4.118 . 0 0 "[ . 1]" 1
43 1 10 LEU HA 1 13 GLN H 1.800 . 4.500 3.675 3.641 3.708 . 0 0 "[ . 1]" 1
44 1 10 LEU HA 1 13 GLN QG 1.800 . 5.000 5.006 5.001 5.013 0.013 6 0 "[ . 1]" 1
45 1 10 LEU HA 1 14 MET QB 1.800 . 5.000 1.772 1.767 1.783 0.033 5 0 "[ . 1]" 1
46 1 10 LEU HA 1 14 MET HG2 1.800 . 5.000 1.818 1.795 1.834 0.005 8 0 "[ . 1]" 1
47 1 10 LEU HA 1 14 MET HG3 1.800 . 5.000 3.334 3.313 3.352 . 0 0 "[ . 1]" 1
48 1 10 LEU QB 1 10 LEU MD1 1.800 . 4.500 2.226 2.119 2.422 . 0 0 "[ . 1]" 1
49 1 10 LEU QB 1 10 LEU MD2 1.800 . 4.500 2.254 2.021 2.394 . 0 0 "[ . 1]" 1
50 1 10 LEU QB 1 13 GLN H 1.800 . 6.000 5.208 5.180 5.236 . 0 0 "[ . 1]" 1
51 1 10 LEU QB 1 13 GLN QB 1.800 . 6.000 5.145 5.083 5.214 . 0 0 "[ . 1]" 1
52 1 10 LEU QB 1 14 MET H 1.800 . 5.500 4.016 3.991 4.040 . 0 0 "[ . 1]" 1
53 1 10 LEU QB 1 14 MET QB 1.800 . 6.000 2.722 2.666 2.780 . 0 0 "[ . 1]" 1
54 1 10 LEU QB 1 14 MET HG2 1.800 . 6.000 2.057 1.984 2.127 . 0 0 "[ . 1]" 1
55 1 10 LEU QB 1 14 MET HG3 1.800 . 5.500 3.395 3.331 3.447 . 0 0 "[ . 1]" 1
56 1 10 LEU QB 1 15 GLU HA 1.800 . 5.000 5.122 5.095 5.144 0.144 6 0 "[ . 1]" 1
57 1 10 LEU MD1 1 11 SER HB3 1.800 . 4.500 4.049 2.996 4.530 0.030 2 0 "[ . 1]" 1
58 1 10 LEU MD1 1 14 MET QB 1.800 . 6.000 4.148 3.881 4.631 . 0 0 "[ . 1]" 1
59 1 10 LEU MD1 1 14 MET HG2 1.800 . 6.000 4.199 3.832 4.388 . 0 0 "[ . 1]" 1
60 1 10 LEU MD1 1 14 MET HG3 1.800 . 6.000 5.546 5.265 5.689 . 0 0 "[ . 1]" 1
61 1 10 LEU MD2 1 11 SER HB2 1.800 . 6.000 3.313 2.536 4.969 . 0 0 "[ . 1]" 1
62 1 10 LEU MD2 1 14 MET QB 1.800 . 6.000 4.640 4.612 4.668 . 0 0 "[ . 1]" 1
63 1 10 LEU MD2 1 14 MET ME 1.800 . 6.000 4.740 2.807 5.524 . 0 0 "[ . 1]" 1
64 1 10 LEU MD2 1 15 GLU HG3 1.800 . 5.000 4.497 4.216 5.030 0.030 8 0 "[ . 1]" 1
65 1 11 SER HA 1 12 LYS H 1.800 . 6.000 3.446 3.439 3.452 . 0 0 "[ . 1]" 1
66 1 11 SER HA 1 12 LYS HB2 1.800 . 6.000 5.474 5.442 5.500 . 0 0 "[ . 1]" 1
67 1 11 SER HA 1 14 MET H 1.800 . 4.500 4.719 4.705 4.731 0.231 6 0 "[ . 1]" 1
68 1 11 SER HB2 1 12 LYS H 1.800 . 4.500 4.069 4.020 4.140 . 0 0 "[ . 1]" 1
69 1 11 SER HB2 1 12 LYS HD3 1.800 . 5.000 5.019 5.010 5.025 0.025 2 0 "[ . 1]" 1
70 1 11 SER HB3 1 12 LYS H 1.800 . 5.000 2.842 2.786 2.917 . 0 0 "[ . 1]" 1
71 1 11 SER HB3 1 13 GLN H 1.800 . 6.000 4.577 4.546 4.612 . 0 0 "[ . 1]" 1
72 1 11 SER HB3 1 14 MET H 1.800 . 5.500 5.591 5.565 5.608 0.108 1 0 "[ . 1]" 1
73 1 12 LYS H 1 12 LYS HB2 1.800 . 3.500 2.377 2.368 2.391 . 0 0 "[ . 1]" 1
74 1 12 LYS H 1 12 LYS HB3 1.800 . 3.500 3.559 3.547 3.571 0.071 3 0 "[ . 1]" 1
75 1 12 LYS H 1 12 LYS HG2 1.800 . 5.000 4.518 4.492 4.552 . 0 0 "[ . 1]" 1
76 1 12 LYS H 1 12 LYS HG3 1.800 . 5.000 3.396 3.347 3.449 . 0 0 "[ . 1]" 1
77 1 12 LYS H 1 13 GLN QB 1.800 . 4.300 3.741 3.682 4.129 . 0 0 "[ . 1]" 1
78 1 12 LYS HA 1 12 LYS QD 1.800 . 4.500 3.900 3.876 3.939 . 0 0 "[ . 1]" 1
79 1 12 LYS HA 1 12 LYS QE 1.800 . 5.000 4.366 4.308 4.467 . 0 0 "[ . 1]" 1
80 1 12 LYS HA 1 12 LYS HG2 1.800 . 4.000 2.882 2.868 2.916 . 0 0 "[ . 1]" 1
81 1 12 LYS HA 1 12 LYS HG3 1.800 . 4.000 2.299 2.265 2.333 . 0 0 "[ . 1]" 1
82 1 12 LYS HA 1 15 GLU H 1.800 . 4.500 4.315 4.287 4.368 . 0 0 "[ . 1]" 1
83 1 12 LYS HB2 1 12 LYS QE 1.800 . 6.000 2.387 2.271 2.525 . 0 0 "[ . 1]" 1
84 1 12 LYS HB2 1 13 GLN H 1.800 . 5.000 3.205 3.155 3.265 . 0 0 "[ . 1]" 1
85 1 12 LYS HB2 1 13 GLN QB 1.800 . 5.500 3.994 3.893 4.722 . 0 0 "[ . 1]" 1
86 1 12 LYS HB3 1 13 GLN H 1.800 . 4.300 3.814 3.758 3.872 . 0 0 "[ . 1]" 1
87 1 12 LYS HB3 1 13 GLN QB 1.800 . 5.500 4.214 4.085 5.026 . 0 0 "[ . 1]" 1
88 1 12 LYS HB3 1 16 GLU H 1.800 . 5.000 5.156 5.138 5.187 0.187 8 0 "[ . 1]" 1
89 1 12 LYS QD 1 12 LYS QE 1.800 . 3.500 2.070 2.023 2.090 . 0 0 "[ . 1]" 1
90 1 12 LYS QE 1 12 LYS HG2 1.800 . 5.000 2.366 2.209 2.667 . 0 0 "[ . 1]" 1
91 1 12 LYS QE 1 12 LYS HG3 1.800 . 4.500 3.316 3.294 3.437 . 0 0 "[ . 1]" 1
92 1 12 LYS HG2 1 16 GLU QB 1.800 . 5.500 5.532 5.498 5.547 0.047 2 0 "[ . 1]" 1
93 1 12 LYS HG3 1 13 GLN H 1.800 . 4.500 4.682 4.672 4.694 0.194 1 0 "[ . 1]" 1
94 1 13 GLN H 1 13 GLN QG 1.800 . 4.500 3.876 2.382 4.084 . 0 0 "[ . 1]" 1
95 1 13 GLN HA 1 13 GLN QG 1.800 . 4.500 2.607 2.385 3.009 . 0 0 "[ . 1]" 1
96 1 13 GLN HA 1 14 MET H 1.800 . 3.500 3.550 3.546 3.553 0.053 4 0 "[ . 1]" 1
97 1 13 GLN HA 1 16 GLU H 1.800 . 4.500 3.609 3.582 3.633 . 0 0 "[ . 1]" 1
98 1 13 GLN HA 1 16 GLU HA 1.800 . 5.300 5.372 5.361 5.382 0.082 3 0 "[ . 1]" 1
99 1 13 GLN HA 1 16 GLU QB 1.800 . 5.000 2.509 2.497 2.523 . 0 0 "[ . 1]" 1
100 1 13 GLN HA 1 16 GLU HG3 1.800 . 5.000 4.482 4.418 4.564 . 0 0 "[ . 1]" 1
101 1 13 GLN QB 1 16 GLU H 1.800 . 4.500 4.684 4.674 4.709 0.209 6 0 "[ . 1]" 1
102 1 13 GLN QG 1 14 MET H 1.800 . 5.300 3.716 3.701 3.745 . 0 0 "[ . 1]" 1
103 1 14 MET H 1 14 MET HG2 1.800 . 4.300 3.295 3.277 3.315 . 0 0 "[ . 1]" 1
104 1 14 MET H 1 14 MET HG3 1.800 . 4.300 4.171 4.157 4.182 . 0 0 "[ . 1]" 1
105 1 14 MET H 1 15 GLU H 1.800 . 5.000 1.899 1.886 1.906 . 0 0 "[ . 1]" 1
106 1 14 MET HA 1 14 MET HG2 1.800 . 4.000 3.793 3.782 3.804 . 0 0 "[ . 1]" 1
107 1 14 MET HA 1 14 MET HG3 1.800 . 4.000 3.261 3.251 3.272 . 0 0 "[ . 1]" 1
108 1 14 MET HA 1 15 GLU H 1.800 . 3.500 3.377 3.360 3.390 . 0 0 "[ . 1]" 1
109 1 14 MET HA 1 15 GLU HA 1.800 . 5.000 4.579 4.566 4.591 . 0 0 "[ . 1]" 1
110 1 14 MET HA 1 16 GLU H 1.800 . 6.000 4.203 4.141 4.246 . 0 0 "[ . 1]" 1
111 1 14 MET HA 1 17 GLU H 1.800 . 4.500 3.468 3.422 3.502 . 0 0 "[ . 1]" 1
112 1 14 MET HA 1 17 GLU HB2 1.800 . 5.000 4.954 4.874 4.999 . 0 0 "[ . 1]" 1
113 1 14 MET HA 1 17 GLU HG3 1.800 . 4.300 4.246 4.083 4.305 0.005 6 0 "[ . 1]" 1
114 1 14 MET HG2 1 15 GLU H 1.800 . 5.300 3.169 3.090 3.238 . 0 0 "[ . 1]" 1
115 1 14 MET HG3 1 15 GLU H 1.800 . 5.300 3.850 3.822 3.889 . 0 0 "[ . 1]" 1
116 1 14 MET HG3 1 17 GLU HG3 1.800 . 5.000 5.097 5.085 5.108 0.108 3 0 "[ . 1]" 1
117 1 15 GLU H 1 15 GLU HG2 1.800 . 4.500 4.510 4.479 4.526 0.026 4 0 "[ . 1]" 1
118 1 15 GLU H 1 15 GLU HG3 1.800 . 4.500 3.915 3.768 4.013 . 0 0 "[ . 1]" 1
119 1 15 GLU H 1 19 VAL MG2 1.800 . 6.300 5.247 5.181 5.310 . 0 0 "[ . 1]" 1
120 1 15 GLU HA 1 16 GLU H 1.800 . 5.000 3.559 3.553 3.571 . 0 0 "[ . 1]" 1
121 1 15 GLU HA 1 19 VAL MG2 1.800 . 5.500 3.641 3.469 3.755 . 0 0 "[ . 1]" 1
122 1 15 GLU QB 1 19 VAL MG1 1.800 . 5.500 5.551 5.537 5.564 0.064 5 0 "[ . 1]" 1
123 1 15 GLU QB 1 19 VAL MG2 1.800 . 5.500 3.141 3.105 3.175 . 0 0 "[ . 1]" 1
124 1 15 GLU HG3 1 19 VAL MG2 1.800 . 5.500 4.378 4.080 4.668 . 0 0 "[ . 1]" 1
125 1 16 GLU H 1 16 GLU HG2 1.800 . 4.300 4.316 4.309 4.328 0.028 10 0 "[ . 1]" 1
126 1 16 GLU H 1 16 GLU HG3 1.800 . 4.300 3.493 3.471 3.511 . 0 0 "[ . 1]" 1
127 1 16 GLU H 1 19 VAL H 1.800 . 5.000 4.671 4.653 4.689 . 0 0 "[ . 1]" 1
128 1 16 GLU H 1 19 VAL MG2 1.800 . 5.000 4.453 4.359 4.527 . 0 0 "[ . 1]" 1
129 1 16 GLU HA 1 16 GLU HG2 1.800 . 3.500 2.434 2.421 2.459 . 0 0 "[ . 1]" 1
130 1 16 GLU HA 1 16 GLU HG3 1.800 . 3.500 2.525 2.487 2.550 . 0 0 "[ . 1]" 1
131 1 16 GLU HA 1 17 GLU H 1.800 . 5.000 3.481 3.475 3.489 . 0 0 "[ . 1]" 1
132 1 16 GLU HA 1 19 VAL H 1.800 . 4.500 3.969 3.931 4.056 . 0 0 "[ . 1]" 1
133 1 16 GLU HA 1 19 VAL HB 1.800 . 4.500 3.765 3.683 3.908 . 0 0 "[ . 1]" 1
134 1 16 GLU HA 1 19 VAL MG2 1.800 . 5.000 3.192 3.124 3.257 . 0 0 "[ . 1]" 1
135 1 16 GLU HG3 1 17 GLU H 1.800 . 5.000 5.003 4.975 5.011 0.011 1 0 "[ . 1]" 1
136 1 16 GLU HG3 1 19 VAL MG2 1.800 . 5.000 5.038 5.030 5.048 0.048 8 0 "[ . 1]" 1
137 1 17 GLU H 1 17 GLU HB2 1.800 . 3.500 3.583 3.577 3.591 0.091 10 0 "[ . 1]" 1
138 1 17 GLU H 1 19 VAL H 1.800 . 5.000 3.892 3.797 3.981 . 0 0 "[ . 1]" 1
139 1 17 GLU HA 1 17 GLU HG3 1.800 . 3.500 3.597 3.580 3.613 0.113 1 0 "[ . 1]" 1
140 1 17 GLU HA 1 19 VAL MG1 1.800 . 6.500 5.877 5.718 6.019 . 0 0 "[ . 1]" 1
141 1 17 GLU HA 1 19 VAL MG2 1.800 . 6.500 5.374 5.302 5.422 . 0 0 "[ . 1]" 1
142 1 17 GLU HA 1 20 ARG H 1.800 . 4.500 3.041 2.973 3.131 . 0 0 "[ . 1]" 1
143 1 17 GLU HA 1 20 ARG HA 1.800 . 5.300 4.898 4.748 5.042 . 0 0 "[ . 1]" 1
144 1 17 GLU HA 1 20 ARG QB 1.800 . 4.500 2.536 2.210 2.959 . 0 0 "[ . 1]" 1
145 1 17 GLU HA 1 20 ARG HD3 1.800 . 5.000 4.698 4.286 4.970 . 0 0 "[ . 1]" 1
146 1 17 GLU HA 1 21 LEU H 1.800 . 5.000 4.298 4.135 4.487 . 0 0 "[ . 1]" 1
147 1 17 GLU HA 1 21 LEU MD1 1.800 . 5.000 4.941 4.836 5.007 0.007 9 0 "[ . 1]" 1
148 1 17 GLU HA 1 21 LEU MD2 1.800 . 5.000 5.009 4.992 5.017 0.017 5 0 "[ . 1]" 1
149 1 17 GLU HG2 1 21 LEU H 1.800 . 5.300 5.388 5.383 5.399 0.099 3 0 "[ . 1]" 1
150 1 17 GLU HG3 1 20 ARG H 1.800 . 5.000 4.987 4.900 5.010 0.010 6 0 "[ . 1]" 1
151 1 17 GLU HG3 1 21 LEU H 1.800 . 5.000 4.485 4.383 4.539 . 0 0 "[ . 1]" 1
152 1 17 GLU HG3 1 21 LEU MD1 1.800 . 5.300 2.719 2.527 2.962 . 0 0 "[ . 1]" 1
153 1 17 GLU HG3 1 21 LEU MD2 1.800 . 5.300 4.521 4.261 4.715 . 0 0 "[ . 1]" 1
154 1 18 DAL HA 1 19 VAL H 1.800 . 3.500 2.747 2.695 2.819 . 0 0 "[ . 1]" 1
155 1 18 DAL HA 1 21 LEU H 1.800 . 4.500 4.551 4.530 4.564 0.064 6 0 "[ . 1]" 1
156 1 19 VAL H 1 19 VAL HB 1.800 . 3.500 2.538 2.480 2.590 . 0 0 "[ . 1]" 1
157 1 19 VAL H 1 19 VAL MG1 1.800 . 4.500 3.757 3.751 3.759 . 0 0 "[ . 1]" 1
158 1 19 VAL H 1 19 VAL MG2 1.800 . 4.500 2.180 2.081 2.342 . 0 0 "[ . 1]" 1
159 1 19 VAL H 1 23 ILE MD 1.800 . 6.500 6.395 6.329 6.491 . 0 0 "[ . 1]" 1
160 1 19 VAL HA 1 19 VAL MG1 1.800 . 4.500 2.307 2.266 2.387 . 0 0 "[ . 1]" 1
161 1 19 VAL HA 1 19 VAL MG2 1.800 . 4.500 2.396 2.257 2.454 . 0 0 "[ . 1]" 1
162 1 19 VAL HA 1 20 ARG H 1.800 . 3.500 3.508 3.501 3.514 0.014 8 0 "[ . 1]" 1
163 1 19 VAL HA 1 20 ARG HA 1.800 . 5.300 4.785 4.774 4.794 . 0 0 "[ . 1]" 1
164 1 19 VAL HA 1 22 TYR H 3.000 . 3.500 3.161 3.121 3.215 . 0 0 "[ . 1]" 1
165 1 19 VAL HA 1 22 TYR HA 1.800 . 5.000 4.811 4.763 4.858 . 0 0 "[ . 1]" 1
166 1 19 VAL HA 1 22 TYR HB3 1.800 . 4.000 1.848 1.797 1.894 0.003 1 0 "[ . 1]" 1
167 1 19 VAL HA 1 22 TYR QD 1.800 . 4.500 2.280 2.266 2.293 . 0 0 "[ . 1]" 1
168 1 19 VAL HA 1 22 TYR QE 1.800 . 4.500 4.571 4.560 4.576 0.076 5 0 "[ . 1]" 1
169 1 19 VAL HA 1 23 ILE H 1.800 . 5.000 3.061 3.015 3.121 . 0 0 "[ . 1]" 1
170 1 19 VAL HA 1 23 ILE MD 1.800 . 5.000 4.234 4.143 4.326 . 0 0 "[ . 1]" 1
171 1 19 VAL HA 1 23 ILE MG 1.800 . 7.000 5.504 5.432 5.593 . 0 0 "[ . 1]" 1
172 1 19 VAL HA 1 26 LEU MD1 1.800 . 7.000 6.348 6.234 6.679 . 0 0 "[ . 1]" 1
173 1 19 VAL HB 1 20 ARG H 1.800 . 6.000 2.768 2.702 2.823 . 0 0 "[ . 1]" 1
174 1 19 VAL MG1 1 20 ARG H 1.800 . 4.500 3.666 3.593 3.750 . 0 0 "[ . 1]" 1
175 1 19 VAL MG1 1 20 ARG HA 1.800 . 5.500 3.677 3.560 3.749 . 0 0 "[ . 1]" 1
176 1 19 VAL MG1 1 20 ARG HD3 1.800 . 6.000 5.330 4.462 6.007 0.007 5 0 "[ . 1]" 1
177 1 19 VAL MG1 1 22 TYR H 1.800 . 6.000 4.565 4.532 4.613 . 0 0 "[ . 1]" 1
178 1 19 VAL MG1 1 22 TYR HB3 1.800 . 5.300 3.539 3.507 3.585 . 0 0 "[ . 1]" 1
179 1 19 VAL MG1 1 22 TYR QD 1.800 . 5.500 2.737 2.663 2.826 . 0 0 "[ . 1]" 1
180 1 19 VAL MG1 1 22 TYR QE 1.800 . 6.000 3.936 3.849 4.048 . 0 0 "[ . 1]" 1
181 1 19 VAL MG1 1 23 ILE H 1.800 . 6.000 3.464 3.439 3.496 . 0 0 "[ . 1]" 1
182 1 19 VAL MG1 1 23 ILE HA 1.800 . 6.300 4.467 4.401 4.535 . 0 0 "[ . 1]" 1
183 1 19 VAL MG1 1 23 ILE HB 1.800 . 5.500 3.480 3.403 3.576 . 0 0 "[ . 1]" 1
184 1 19 VAL MG1 1 23 ILE HG12 1.800 . 5.000 1.991 1.936 2.131 . 0 0 "[ . 1]" 1
185 1 19 VAL MG1 1 23 ILE HG13 1.800 . 5.000 2.074 1.947 2.222 . 0 0 "[ . 1]" 1
186 1 19 VAL MG2 1 20 ARG H 1.800 . 4.500 3.830 3.772 3.902 . 0 0 "[ . 1]" 1
187 1 19 VAL MG2 1 20 ARG HA 1.800 . 6.000 5.390 5.363 5.420 . 0 0 "[ . 1]" 1
188 1 19 VAL MG2 1 21 LEU H 1.800 . 6.000 5.278 5.231 5.347 . 0 0 "[ . 1]" 1
189 1 19 VAL MG2 1 22 TYR HB2 1.800 . 5.300 4.626 4.472 4.732 . 0 0 "[ . 1]" 1
190 1 19 VAL MG2 1 22 TYR HB3 1.800 . 5.300 3.758 3.638 3.817 . 0 0 "[ . 1]" 1
191 1 19 VAL MG2 1 22 TYR QD 1.800 . 5.500 3.147 3.007 3.246 . 0 0 "[ . 1]" 1
192 1 19 VAL MG2 1 22 TYR QE 1.800 . 5.500 4.380 4.257 4.502 . 0 0 "[ . 1]" 1
193 1 19 VAL MG2 1 23 ILE H 1.800 . 6.000 4.910 4.894 4.927 . 0 0 "[ . 1]" 1
194 1 19 VAL MG2 1 23 ILE HA 1.800 . 6.300 6.380 6.369 6.392 0.092 8 0 "[ . 1]" 1
195 1 19 VAL MG2 1 23 ILE HB 1.800 . 6.000 5.743 5.699 5.800 . 0 0 "[ . 1]" 1
196 1 19 VAL MG2 1 23 ILE HG12 1.800 . 5.000 4.153 4.123 4.187 . 0 0 "[ . 1]" 1
197 1 19 VAL MG2 1 23 ILE HG13 1.800 . 5.500 4.617 4.526 4.700 . 0 0 "[ . 1]" 1
198 1 20 ARG H 1 20 ARG HG2 1.800 . 3.500 2.473 2.052 3.048 . 0 0 "[ . 1]" 1
199 1 20 ARG H 1 20 ARG HG3 1.800 . 3.500 3.019 2.331 3.321 . 0 0 "[ . 1]" 1
200 1 20 ARG H 1 21 LEU H 1.800 . 3.500 2.576 2.533 2.615 . 0 0 "[ . 1]" 1
201 1 20 ARG H 1 21 LEU HB2 1.800 . 5.000 5.017 4.991 5.034 0.034 9 0 "[ . 1]" 1
202 1 20 ARG H 1 21 LEU MD2 1.800 . 5.000 4.944 4.781 5.020 0.020 7 0 "[ . 1]" 1
203 1 20 ARG H 1 21 LEU HG 1.800 . 5.000 4.181 3.968 4.371 . 0 0 "[ . 1]" 1
204 1 20 ARG HA 1 20 ARG HD2 1.800 . 5.000 3.856 2.790 4.360 . 0 0 "[ . 1]" 1
205 1 20 ARG HA 1 20 ARG HD3 1.800 . 5.000 3.243 2.647 4.124 . 0 0 "[ . 1]" 1
206 1 20 ARG HA 1 20 ARG HG2 1.800 . 4.000 2.600 2.375 2.825 . 0 0 "[ . 1]" 1
207 1 20 ARG HA 1 20 ARG HG3 1.800 . 4.000 3.705 3.390 3.860 . 0 0 "[ . 1]" 1
208 1 20 ARG HA 1 21 LEU H 1.800 . 5.000 3.534 3.525 3.539 . 0 0 "[ . 1]" 1
209 1 20 ARG HA 1 23 ILE H 1.800 . 4.500 3.943 3.886 3.997 . 0 0 "[ . 1]" 1
210 1 20 ARG HA 1 23 ILE HG12 1.800 . 5.300 4.462 4.372 4.521 . 0 0 "[ . 1]" 1
211 1 20 ARG HA 1 23 ILE HG13 1.800 . 4.500 4.147 4.047 4.213 . 0 0 "[ . 1]" 1
212 1 20 ARG HA 1 23 ILE MG 1.800 . 4.300 4.313 4.306 4.322 0.022 6 0 "[ . 1]" 1
213 1 20 ARG QB 1 20 ARG HD2 1.800 . 4.500 2.380 2.047 3.266 . 0 0 "[ . 1]" 1
214 1 20 ARG QB 1 20 ARG HD3 1.800 . 4.500 2.603 1.974 3.279 . 0 0 "[ . 1]" 1
215 1 20 ARG QB 1 21 LEU H 1.800 . 4.500 2.638 2.595 2.669 . 0 0 "[ . 1]" 1
216 1 20 ARG HG2 1 21 LEU H 1.800 . 5.000 4.471 4.146 4.797 . 0 0 "[ . 1]" 1
217 1 20 ARG HG3 1 21 LEU H 1.800 . 6.000 4.594 4.219 4.806 . 0 0 "[ . 1]" 1
218 1 21 LEU H 1 21 LEU HB2 1.800 . 3.500 2.603 2.550 2.671 . 0 0 "[ . 1]" 1
219 1 21 LEU H 1 21 LEU HB3 1.800 . 4.000 3.660 3.648 3.670 . 0 0 "[ . 1]" 1
220 1 21 LEU H 1 21 LEU MD1 1.800 . 4.500 3.685 3.600 3.802 . 0 0 "[ . 1]" 1
221 1 21 LEU H 1 21 LEU MD2 1.800 . 4.500 3.290 3.140 3.368 . 0 0 "[ . 1]" 1
222 1 21 LEU H 1 21 LEU HG 1.800 . 3.500 2.256 2.085 2.424 . 0 0 "[ . 1]" 1
223 1 21 LEU H 1 24 GLN H 1.800 . 5.000 4.140 4.104 4.158 . 0 0 "[ . 1]" 1
224 1 21 LEU HA 1 21 LEU MD1 1.800 . 5.000 3.867 3.820 3.905 . 0 0 "[ . 1]" 1
225 1 21 LEU HA 1 21 LEU MD2 1.800 . 4.500 2.072 1.947 2.285 . 0 0 "[ . 1]" 1
226 1 21 LEU HA 1 21 LEU HG 1.800 . 4.300 3.193 3.164 3.251 . 0 0 "[ . 1]" 1
227 1 21 LEU HA 1 24 GLN H 1.800 . 5.000 2.937 2.910 2.953 . 0 0 "[ . 1]" 1
228 1 21 LEU HA 1 24 GLN HB2 1.800 . 4.500 2.231 2.134 2.372 . 0 0 "[ . 1]" 1
229 1 21 LEU HA 1 24 GLN HB3 1.800 . 4.500 2.047 1.894 2.121 . 0 0 "[ . 1]" 1
230 1 21 LEU HA 1 24 GLN QG 1.800 . 4.500 3.324 3.249 3.420 . 0 0 "[ . 1]" 1
231 1 21 LEU HA 1 25 TRP H 1.800 . 5.000 3.676 3.608 3.729 . 0 0 "[ . 1]" 1
232 1 21 LEU HB3 1 24 GLN H 1.800 . 5.000 4.849 4.823 4.867 . 0 0 "[ . 1]" 1
233 1 21 LEU MD1 1 24 GLN HB2 1.800 . 5.500 5.557 5.550 5.563 0.063 5 0 "[ . 1]" 1
234 1 21 LEU MD1 1 24 GLN HB3 1.800 . 5.500 5.150 5.009 5.217 . 0 0 "[ . 1]" 1
235 1 21 LEU MD1 1 24 GLN QG 1.800 . 5.300 5.329 5.321 5.336 0.036 8 0 "[ . 1]" 1
236 1 21 LEU MD1 1 38 PRO HA 1.800 . 6.500 6.524 6.515 6.532 0.032 5 0 "[ . 1]" 1
237 1 21 LEU MD2 1 24 GLN HB3 1.800 . 5.500 3.337 3.173 3.587 . 0 0 "[ . 1]" 1
238 1 21 LEU MD2 1 24 GLN QG 1.800 . 5.500 3.253 3.175 3.406 . 0 0 "[ . 1]" 1
239 1 21 LEU HG 1 24 GLN H 1.800 . 5.500 5.615 5.601 5.630 0.130 7 0 "[ . 1]" 1
240 1 21 LEU HG 1 24 GLN HB2 1.800 . 5.500 5.143 5.095 5.191 . 0 0 "[ . 1]" 1
241 1 22 TYR H 1 22 TYR HB2 1.800 . 3.500 2.813 2.780 2.834 . 0 0 "[ . 1]" 1
242 1 22 TYR H 1 22 TYR HB3 1.800 . 3.500 2.206 2.196 2.215 . 0 0 "[ . 1]" 1
243 1 22 TYR H 1 22 TYR QD 1.800 . 4.000 4.066 4.061 4.071 0.071 6 0 "[ . 1]" 1
244 1 22 TYR H 1 22 TYR QE 1.800 . 6.000 6.060 6.053 6.067 0.067 6 0 "[ . 1]" 1
245 1 22 TYR H 1 23 ILE H 1.800 . 3.500 2.454 2.418 2.476 . 0 0 "[ . 1]" 1
246 1 22 TYR HA 1 22 TYR QD 1.800 . 4.500 2.370 2.336 2.403 . 0 0 "[ . 1]" 1
247 1 22 TYR HA 1 22 TYR QE 1.800 . 5.000 4.646 4.615 4.675 . 0 0 "[ . 1]" 1
248 1 22 TYR HA 1 23 ILE H 1.800 . 3.500 3.507 3.503 3.511 0.011 6 0 "[ . 1]" 1
249 1 22 TYR HA 1 25 TRP H 1.800 . 4.500 3.189 3.162 3.229 . 0 0 "[ . 1]" 1
250 1 22 TYR HA 1 25 TRP HB3 1.800 . 4.000 2.491 2.464 2.520 . 0 0 "[ . 1]" 1
251 1 22 TYR HA 1 25 TRP HE3 1.800 . 4.000 3.984 3.842 4.012 0.012 7 0 "[ . 1]" 1
252 1 22 TYR HA 1 26 LEU H 1.800 . 4.300 4.318 4.314 4.324 0.024 6 0 "[ . 1]" 1
253 1 22 TYR HA 1 38 PRO HD3 1.800 . 4.500 3.296 3.205 3.381 . 0 0 "[ . 1]" 1
254 1 22 TYR HA 1 38 PRO HG2 1.800 . 4.000 2.453 2.351 2.511 . 0 0 "[ . 1]" 1
255 1 22 TYR HA 1 38 PRO HG3 1.800 . 4.500 1.796 1.782 1.819 0.018 2 0 "[ . 1]" 1
256 1 22 TYR HB2 1 22 TYR QE 1.800 . 4.500 4.471 4.468 4.474 . 0 0 "[ . 1]" 1
257 1 22 TYR HB2 1 23 ILE H 1.800 . 4.000 3.821 3.802 3.856 . 0 0 "[ . 1]" 1
258 1 22 TYR HB2 1 23 ILE MD 1.800 . 5.500 5.516 5.511 5.522 0.022 1 0 "[ . 1]" 1
259 1 22 TYR HB2 1 23 ILE MG 1.800 . 6.500 6.682 6.678 6.687 0.187 2 0 "[ . 1]" 1
260 1 22 TYR HB2 1 25 TRP H 1.800 . 5.500 5.378 5.356 5.412 . 0 0 "[ . 1]" 1
261 1 22 TYR HB2 1 25 TRP HB3 1.800 . 5.000 4.693 4.659 4.739 . 0 0 "[ . 1]" 1
262 1 22 TYR HB2 1 26 LEU MD1 1.800 . 6.500 6.163 6.060 6.503 0.003 4 0 "[ . 1]" 1
263 1 22 TYR HB3 1 22 TYR QE 1.800 . 4.300 4.335 4.334 4.337 0.037 2 0 "[ . 1]" 1
264 1 22 TYR HB3 1 23 ILE H 1.800 . 3.500 2.443 2.411 2.496 . 0 0 "[ . 1]" 1
265 1 22 TYR HB3 1 23 ILE MD 1.800 . 5.500 4.382 4.348 4.412 . 0 0 "[ . 1]" 1
266 1 22 TYR HB3 1 23 ILE HG13 1.800 . 5.500 4.932 4.919 4.956 . 0 0 "[ . 1]" 1
267 1 22 TYR HB3 1 23 ILE MG 1.800 . 6.000 5.520 5.499 5.544 . 0 0 "[ . 1]" 1
268 1 22 TYR HB3 1 26 LEU MD1 1.800 . 6.500 5.712 5.598 6.077 . 0 0 "[ . 1]" 1
269 1 22 TYR QD 1 23 ILE H 1.800 . 5.500 3.542 3.514 3.592 . 0 0 "[ . 1]" 1
270 1 22 TYR QD 1 23 ILE HA 1.800 . 5.000 4.183 4.161 4.201 . 0 0 "[ . 1]" 1
271 1 22 TYR QD 1 23 ILE HB 1.800 . 6.000 5.167 5.140 5.197 . 0 0 "[ . 1]" 1
272 1 22 TYR QD 1 23 ILE MD 1.800 . 5.000 3.376 3.289 3.458 . 0 0 "[ . 1]" 1
273 1 22 TYR QD 1 23 ILE HG13 1.800 . 6.000 4.519 4.493 4.554 . 0 0 "[ . 1]" 1
274 1 22 TYR QD 1 25 TRP HD1 1.800 . 6.000 6.051 6.044 6.061 0.061 4 0 "[ . 1]" 1
275 1 22 TYR QD 1 25 TRP HE3 1.800 . 4.500 2.695 2.503 2.795 . 0 0 "[ . 1]" 1
276 1 22 TYR QD 1 25 TRP HZ3 1.800 . 4.500 4.100 3.863 4.191 . 0 0 "[ . 1]" 1
277 1 22 TYR QD 1 26 LEU H 1.800 . 6.300 4.561 4.513 4.627 . 0 0 "[ . 1]" 1
278 1 22 TYR QD 1 26 LEU MD1 1.800 . 5.500 4.188 4.096 4.462 . 0 0 "[ . 1]" 1
279 1 22 TYR QD 1 26 LEU MD2 1.800 . 6.000 4.451 4.411 4.490 . 0 0 "[ . 1]" 1
280 1 22 TYR QD 1 26 LEU HG 1.800 . 5.200 3.535 3.462 3.624 . 0 0 "[ . 1]" 1
281 1 22 TYR QD 1 37 PRO HB2 1.800 . 6.000 4.577 4.458 4.680 . 0 0 "[ . 1]" 1
282 1 22 TYR QD 1 37 PRO HB3 1.800 . 4.500 3.981 3.828 4.100 . 0 0 "[ . 1]" 1
283 1 22 TYR QD 1 38 PRO HG3 1.800 . 5.500 3.291 3.281 3.301 . 0 0 "[ . 1]" 1
284 1 22 TYR QE 1 23 ILE H 1.800 . 6.000 5.164 5.131 5.190 . 0 0 "[ . 1]" 1
285 1 22 TYR QE 1 23 ILE HA 1.800 . 5.500 4.724 4.674 4.771 . 0 0 "[ . 1]" 1
286 1 22 TYR QE 1 23 ILE HB 1.800 . 6.500 6.419 6.373 6.468 . 0 0 "[ . 1]" 1
287 1 22 TYR QE 1 23 ILE MD 1.800 . 5.500 3.280 3.153 3.402 . 0 0 "[ . 1]" 1
288 1 22 TYR QE 1 23 ILE HG13 1.800 . 7.000 5.461 5.394 5.539 . 0 0 "[ . 1]" 1
289 1 22 TYR QE 1 25 TRP HE3 1.800 . 4.000 2.859 2.757 2.967 . 0 0 "[ . 1]" 1
290 1 22 TYR QE 1 25 TRP HH2 1.800 . 5.000 4.517 4.286 4.639 . 0 0 "[ . 1]" 1
291 1 22 TYR QE 1 25 TRP HZ3 1.800 . 4.000 2.534 2.235 2.698 . 0 0 "[ . 1]" 1
292 1 22 TYR QE 1 26 LEU H 1.800 . 6.300 5.414 5.364 5.486 . 0 0 "[ . 1]" 1
293 1 22 TYR QE 1 26 LEU MD1 1.800 . 5.300 3.148 3.041 3.381 . 0 0 "[ . 1]" 1
294 1 22 TYR QE 1 26 LEU MD2 1.800 . 5.500 3.433 3.366 3.490 . 0 0 "[ . 1]" 1
295 1 22 TYR QE 1 26 LEU HG 1.800 . 5.200 2.965 2.899 3.043 . 0 0 "[ . 1]" 1
296 1 22 TYR QE 1 37 PRO HB2 1.800 . 4.700 4.521 4.210 4.700 0.000 7 0 "[ . 1]" 1
297 1 22 TYR QE 1 37 PRO HB3 1.800 . 4.500 3.712 3.290 4.050 . 0 0 "[ . 1]" 1
298 1 22 TYR QE 1 37 PRO HG3 1.800 . 6.000 5.410 5.174 5.647 . 0 0 "[ . 1]" 1
299 1 22 TYR QE 1 38 PRO HG3 1.800 . 5.500 5.538 5.530 5.546 0.046 1 0 "[ . 1]" 1
300 1 23 ILE H 1 23 ILE HB 1.800 . 3.500 2.450 2.438 2.468 . 0 0 "[ . 1]" 1
301 1 23 ILE H 1 23 ILE HG12 1.800 . 4.000 2.234 2.207 2.250 . 0 0 "[ . 1]" 1
302 1 23 ILE H 1 23 ILE HG13 1.800 . 4.000 3.523 3.500 3.541 . 0 0 "[ . 1]" 1
303 1 23 ILE H 1 23 ILE MG 1.800 . 5.000 3.728 3.725 3.734 . 0 0 "[ . 1]" 1
304 1 23 ILE H 1 24 GLN H 1.800 . 3.500 2.447 2.422 2.466 . 0 0 "[ . 1]" 1
305 1 23 ILE H 1 24 GLN HB2 1.800 . 6.000 4.733 4.680 4.841 . 0 0 "[ . 1]" 1
306 1 23 ILE H 1 24 GLN HB3 1.800 . 6.000 4.790 4.663 4.860 . 0 0 "[ . 1]" 1
307 1 23 ILE H 1 25 TRP H 1.800 . 5.000 4.058 4.013 4.097 . 0 0 "[ . 1]" 1
308 1 23 ILE H 1 26 LEU HG 1.800 . 6.000 5.310 5.277 5.417 . 0 0 "[ . 1]" 1
309 1 23 ILE HA 1 23 ILE MD 1.800 . 4.500 2.201 2.168 2.238 . 0 0 "[ . 1]" 1
310 1 23 ILE HA 1 23 ILE HG12 1.800 . 4.300 2.850 2.842 2.860 . 0 0 "[ . 1]" 1
311 1 23 ILE HA 1 23 ILE MG 1.800 . 4.300 2.349 2.321 2.418 . 0 0 "[ . 1]" 1
312 1 23 ILE HA 1 24 GLN H 1.800 . 3.500 3.502 3.494 3.509 0.009 8 0 "[ . 1]" 1
313 1 23 ILE HA 1 24 GLN HA 1.800 . 5.000 4.814 4.810 4.818 . 0 0 "[ . 1]" 1
314 1 23 ILE HA 1 26 LEU H 1.800 . 4.500 3.107 3.073 3.135 . 0 0 "[ . 1]" 1
315 1 23 ILE HA 1 26 LEU HA 1.800 . 5.500 4.913 4.896 4.927 . 0 0 "[ . 1]" 1
316 1 23 ILE HA 1 26 LEU HB3 1.800 . 3.500 3.519 3.503 3.525 0.025 7 0 "[ . 1]" 1
317 1 23 ILE HA 1 26 LEU MD1 1.800 . 4.500 2.941 2.856 3.207 . 0 0 "[ . 1]" 1
318 1 23 ILE HA 1 26 LEU MD2 1.800 . 4.500 4.580 4.566 4.595 0.095 4 0 "[ . 1]" 1
319 1 23 ILE HA 1 26 LEU HG 1.800 . 3.500 3.361 3.348 3.374 . 0 0 "[ . 1]" 1
320 1 23 ILE HA 1 27 LYS H 1.800 . 4.000 4.016 4.010 4.019 0.019 8 0 "[ . 1]" 1
321 1 23 ILE HB 1 23 ILE MD 1.800 . 4.500 3.219 3.211 3.224 . 0 0 "[ . 1]" 1
322 1 23 ILE HB 1 24 GLN H 1.800 . 4.500 2.878 2.856 2.901 . 0 0 "[ . 1]" 1
323 1 23 ILE MD 1 24 GLN H 1.800 . 5.500 4.819 4.808 4.834 . 0 0 "[ . 1]" 1
324 1 23 ILE MD 1 26 LEU H 1.800 . 5.500 4.822 4.789 4.859 . 0 0 "[ . 1]" 1
325 1 23 ILE MD 1 27 LYS QE 1.800 . 7.000 5.842 4.600 6.801 . 0 0 "[ . 1]" 1
326 1 23 ILE HG12 1 24 GLN H 1.800 . 6.500 4.313 4.298 4.326 . 0 0 "[ . 1]" 1
327 1 23 ILE HG13 1 23 ILE MG 1.800 . 4.500 2.419 2.402 2.479 . 0 0 "[ . 1]" 1
328 1 23 ILE HG13 1 24 GLN H 1.800 . 5.000 5.041 5.033 5.050 0.050 6 0 "[ . 1]" 1
329 1 23 ILE MG 1 24 GLN H 1.800 . 4.500 3.645 3.601 3.687 . 0 0 "[ . 1]" 1
330 1 23 ILE MG 1 24 GLN HB2 1.800 . 5.500 4.765 4.720 4.815 . 0 0 "[ . 1]" 1
331 1 23 ILE MG 1 27 LYS QD 1.800 . 5.500 2.994 2.118 4.247 . 0 0 "[ . 1]" 1
332 1 23 ILE MG 1 27 LYS QE 1.800 . 5.000 3.302 2.017 4.304 . 0 0 "[ . 1]" 1
333 1 24 GLN H 1 24 GLN HB2 1.800 . 3.500 2.485 2.435 2.591 . 0 0 "[ . 1]" 1
334 1 24 GLN H 1 24 GLN HB3 1.800 . 3.500 2.597 2.495 2.648 . 0 0 "[ . 1]" 1
335 1 24 GLN H 1 24 GLN QG 1.800 . 4.500 4.050 4.031 4.059 . 0 0 "[ . 1]" 1
336 1 24 GLN H 1 25 TRP HB2 1.800 . 5.000 4.995 4.968 5.007 0.007 4 0 "[ . 1]" 1
337 1 24 GLN H 1 26 LEU H 1.800 . 5.000 3.599 3.586 3.630 . 0 0 "[ . 1]" 1
338 1 24 GLN H 1 27 LYS QD 1.800 . 6.000 4.384 3.626 5.611 . 0 0 "[ . 1]" 1
339 1 24 GLN HA 1 24 GLN QG 1.800 . 4.500 2.675 2.394 2.806 . 0 0 "[ . 1]" 1
340 1 24 GLN HA 1 25 TRP H 1.800 . 5.000 3.525 3.519 3.530 . 0 0 "[ . 1]" 1
341 1 24 GLN HA 1 25 TRP HB2 1.800 . 6.000 5.971 5.963 5.987 . 0 0 "[ . 1]" 1
342 1 24 GLN HA 1 28 GLU HG2 1.800 . 6.000 5.233 5.052 5.348 . 0 0 "[ . 1]" 1
343 1 24 GLN HB2 1 25 TRP H 1.800 . 4.000 3.632 3.584 3.719 . 0 0 "[ . 1]" 1
344 1 24 GLN HB2 1 27 LYS H 1.800 . 5.000 5.090 5.080 5.100 0.100 5 0 "[ . 1]" 1
345 1 24 GLN HB3 1 25 TRP H 1.800 . 5.000 2.356 2.321 2.380 . 0 0 "[ . 1]" 1
346 1 24 GLN HB3 1 27 LYS H 1.800 . 5.000 4.915 4.899 4.946 . 0 0 "[ . 1]" 1
347 1 24 GLN HE21 1 27 LYS QB 1.800 . 5.000 2.756 2.165 3.307 . 0 0 "[ . 1]" 1
348 1 24 GLN HE21 1 28 GLU HG2 1.800 . 5.000 3.518 2.966 3.803 . 0 0 "[ . 1]" 1
349 1 24 GLN HE21 1 28 GLU HG3 1.800 . 5.500 4.171 2.695 4.821 . 0 0 "[ . 1]" 1
350 1 24 GLN HE22 1 28 GLU HG2 1.800 . 5.000 4.509 3.036 5.003 0.003 3 0 "[ . 1]" 1
351 1 24 GLN QG 1 25 TRP H 1.800 . 5.000 3.788 3.658 4.050 . 0 0 "[ . 1]" 1
352 1 24 GLN QG 1 27 LYS QB 1.800 . 5.000 3.265 2.988 3.398 . 0 0 "[ . 1]" 1
353 1 24 GLN QG 1 28 GLU H 1.800 . 5.000 5.021 5.016 5.028 0.028 8 0 "[ . 1]" 1
354 1 25 TRP H 1 25 TRP HB2 1.800 . 3.500 2.610 2.599 2.638 . 0 0 "[ . 1]" 1
355 1 25 TRP H 1 25 TRP HB3 1.800 . 3.500 2.393 2.353 2.412 . 0 0 "[ . 1]" 1
356 1 25 TRP H 1 25 TRP HD1 1.800 . 5.000 5.014 5.004 5.022 0.022 1 0 "[ . 1]" 1
357 1 25 TRP H 1 25 TRP HE3 1.800 . 5.000 4.465 4.422 4.487 . 0 0 "[ . 1]" 1
358 1 25 TRP H 1 26 LEU H 1.800 . 3.500 2.566 2.556 2.575 . 0 0 "[ . 1]" 1
359 1 25 TRP HA 1 25 TRP HD1 1.800 . 4.000 3.078 3.030 3.094 . 0 0 "[ . 1]" 1
360 1 25 TRP HA 1 25 TRP HE1 1.800 . 5.000 5.100 5.091 5.107 0.107 3 0 "[ . 1]" 1
361 1 25 TRP HA 1 25 TRP HE3 1.800 . 5.000 4.710 4.683 4.780 . 0 0 "[ . 1]" 1
362 1 25 TRP HA 1 26 LEU H 1.800 . 3.500 3.466 3.461 3.476 . 0 0 "[ . 1]" 1
363 1 25 TRP HA 1 30 GLY H 1.800 . 5.000 4.415 4.367 4.443 . 0 0 "[ . 1]" 1
364 1 25 TRP HA 1 38 PRO HD3 1.800 . 5.500 4.752 4.652 4.859 . 0 0 "[ . 1]" 1
365 1 25 TRP HB2 1 25 TRP HD1 1.800 . 4.000 2.712 2.707 2.725 . 0 0 "[ . 1]" 1
366 1 25 TRP HB2 1 25 TRP HE3 1.800 . 4.000 4.039 4.032 4.043 0.043 8 0 "[ . 1]" 1
367 1 25 TRP HB2 1 26 LEU H 1.800 . 4.000 4.010 4.001 4.018 0.018 3 0 "[ . 1]" 1
368 1 25 TRP HB2 1 28 GLU HG3 1.800 . 6.000 5.980 5.885 6.009 0.009 3 0 "[ . 1]" 1
369 1 25 TRP HB2 1 38 PRO HB3 1.800 . 4.500 4.508 4.456 4.523 0.023 3 0 "[ . 1]" 1
370 1 25 TRP HB2 1 38 PRO HG2 1.800 . 4.500 4.511 4.501 4.520 0.020 1 0 "[ . 1]" 1
371 1 25 TRP HB2 1 38 PRO HG3 1.800 . 4.500 3.161 3.123 3.214 . 0 0 "[ . 1]" 1
372 1 25 TRP HB3 1 25 TRP HD1 1.800 . 4.000 3.835 3.832 3.839 . 0 0 "[ . 1]" 1
373 1 25 TRP HB3 1 25 TRP HE1 1.800 . 5.300 5.239 5.236 5.240 . 0 0 "[ . 1]" 1
374 1 25 TRP HB3 1 25 TRP HE3 1.800 . 4.000 2.475 2.470 2.477 . 0 0 "[ . 1]" 1
375 1 25 TRP HB3 1 25 TRP HZ3 1.800 . 5.300 4.870 4.863 4.872 . 0 0 "[ . 1]" 1
376 1 25 TRP HB3 1 26 LEU H 1.800 . 4.000 2.788 2.743 2.806 . 0 0 "[ . 1]" 1
377 1 25 TRP HB3 1 38 PRO HD2 1.800 . 5.000 3.142 3.073 3.191 . 0 0 "[ . 1]" 1
378 1 25 TRP HB3 1 38 PRO HD3 1.800 . 4.500 2.999 2.940 3.088 . 0 0 "[ . 1]" 1
379 1 25 TRP HB3 1 38 PRO HG2 1.800 . 5.000 4.140 4.084 4.179 . 0 0 "[ . 1]" 1
380 1 25 TRP HD1 1 26 LEU MD2 1.800 . 6.500 5.861 5.657 5.921 . 0 0 "[ . 1]" 1
381 1 25 TRP HD1 1 35 ARG QB 1.800 . 3.500 3.331 2.519 3.533 0.033 5 0 "[ . 1]" 1
382 1 25 TRP HD1 1 35 ARG QD 1.800 . 5.000 3.701 2.863 4.884 . 0 0 "[ . 1]" 1
383 1 25 TRP HD1 1 35 ARG HG2 1.800 . 3.500 3.271 2.405 3.523 0.023 3 0 "[ . 1]" 1
384 1 25 TRP HD1 1 35 ARG HG3 1.800 . 3.500 2.418 1.931 3.507 0.007 8 0 "[ . 1]" 1
385 1 25 TRP HD1 1 37 PRO HA 1.800 . 5.300 3.492 3.119 3.962 . 0 0 "[ . 1]" 1
386 1 25 TRP HD1 1 38 PRO HD2 1.800 . 5.000 4.620 4.502 4.816 . 0 0 "[ . 1]" 1
387 1 25 TRP HD1 1 38 PRO HG3 1.800 . 5.300 5.254 5.222 5.284 . 0 0 "[ . 1]" 1
388 1 25 TRP HE1 1 31 PRO HA 1.800 . 5.000 5.033 5.022 5.039 0.039 10 0 "[ . 1]" 1
389 1 25 TRP HE1 1 35 ARG H 1.800 . 5.000 3.928 3.730 4.110 . 0 0 "[ . 1]" 1
390 1 25 TRP HE1 1 35 ARG HA 1.800 . 5.500 4.454 3.997 4.728 . 0 0 "[ . 1]" 1
391 1 25 TRP HE1 1 35 ARG QB 1.800 . 3.500 3.053 1.991 3.510 0.010 10 0 "[ . 1]" 1
392 1 25 TRP HE1 1 35 ARG QD 1.800 . 5.500 4.269 3.759 5.294 . 0 0 "[ . 1]" 1
393 1 25 TRP HE1 1 35 ARG HG2 1.800 . 5.000 2.991 2.433 4.399 . 0 0 "[ . 1]" 1
394 1 25 TRP HE1 1 35 ARG HG3 1.800 . 5.000 2.728 2.196 4.145 . 0 0 "[ . 1]" 1
395 1 25 TRP HE1 1 36 PRO HA 1.800 . 5.000 3.751 3.260 4.214 . 0 0 "[ . 1]" 1
396 1 25 TRP HE1 1 37 PRO HA 1.800 . 5.300 3.130 2.872 3.530 . 0 0 "[ . 1]" 1
397 1 25 TRP HE1 1 37 PRO QD 1.800 . 5.300 3.217 2.240 4.229 . 0 0 "[ . 1]" 1
398 1 25 TRP HE1 1 38 PRO HD3 1.800 . 5.000 4.559 4.520 4.621 . 0 0 "[ . 1]" 1
399 1 25 TRP HE3 1 26 LEU H 1.800 . 4.500 3.228 3.177 3.251 . 0 0 "[ . 1]" 1
400 1 25 TRP HE3 1 26 LEU HA 1.800 . 3.500 3.390 3.341 3.511 0.011 4 0 "[ . 1]" 1
401 1 25 TRP HE3 1 26 LEU HB2 1.800 . 5.000 3.692 3.584 3.722 . 0 0 "[ . 1]" 1
402 1 25 TRP HE3 1 26 LEU HB3 1.800 . 4.500 4.554 4.543 4.596 0.096 4 0 "[ . 1]" 1
403 1 25 TRP HE3 1 26 LEU MD1 1.800 . 5.000 3.706 3.664 3.847 . 0 0 "[ . 1]" 1
404 1 25 TRP HE3 1 26 LEU MD2 1.800 . 4.300 2.426 2.376 2.483 . 0 0 "[ . 1]" 1
405 1 25 TRP HE3 1 26 LEU HG 1.800 . 3.500 2.037 1.992 2.176 . 0 0 "[ . 1]" 1
406 1 25 TRP HE3 1 30 GLY HA2 1.800 . 4.300 4.313 4.304 4.320 0.020 1 0 "[ . 1]" 1
407 1 25 TRP HE3 1 30 GLY HA3 1.800 . 5.000 3.333 3.306 3.478 . 0 0 "[ . 1]" 1
408 1 25 TRP HE3 1 31 PRO HD2 1.800 . 5.000 5.058 5.048 5.080 0.080 4 0 "[ . 1]" 1
409 1 25 TRP HE3 1 31 PRO HD3 1.800 . 6.000 4.109 3.906 4.161 . 0 0 "[ . 1]" 1
410 1 25 TRP HE3 1 31 PRO QG 1.800 . 6.000 5.671 5.357 5.740 . 0 0 "[ . 1]" 1
411 1 25 TRP HE3 1 37 PRO HB2 1.800 . 5.300 5.245 5.130 5.327 0.027 4 0 "[ . 1]" 1
412 1 25 TRP HE3 1 37 PRO QD 3.000 3.000 6.500 6.119 5.736 6.513 0.013 4 0 "[ . 1]" 1
413 1 25 TRP HH2 1 26 LEU MD2 1.800 . 5.000 3.322 3.195 3.369 . 0 0 "[ . 1]" 1
414 1 25 TRP HH2 1 30 GLY HA2 1.800 . 5.000 4.594 4.533 4.617 . 0 0 "[ . 1]" 1
415 1 25 TRP HH2 1 30 GLY HA3 1.800 . 5.000 3.256 3.225 3.440 . 0 0 "[ . 1]" 1
416 1 25 TRP HH2 1 31 PRO HA 1.800 . 4.000 3.820 3.774 3.866 . 0 0 "[ . 1]" 1
417 1 25 TRP HH2 1 31 PRO HB2 1.800 . 5.300 4.289 3.959 4.378 . 0 0 "[ . 1]" 1
418 1 25 TRP HH2 1 31 PRO HB3 1.800 . 5.300 2.729 2.426 2.819 . 0 0 "[ . 1]" 1
419 1 25 TRP HH2 1 31 PRO HD2 1.800 . 3.500 3.630 3.625 3.634 0.134 1 0 "[ . 1]" 1
420 1 25 TRP HH2 1 31 PRO HD3 1.800 . 3.500 1.918 1.900 2.010 . 0 0 "[ . 1]" 1
421 1 25 TRP HH2 1 31 PRO QG 1.800 . 4.000 2.830 2.419 2.944 . 0 0 "[ . 1]" 1
422 1 25 TRP HH2 1 37 PRO HB2 1.800 . 5.300 4.688 4.555 4.895 . 0 0 "[ . 1]" 1
423 1 25 TRP HH2 1 37 PRO HB3 1.800 . 6.000 3.248 3.177 3.308 . 0 0 "[ . 1]" 1
424 1 25 TRP HH2 1 37 PRO QD 1.800 . 4.500 4.200 3.914 4.506 0.006 4 0 "[ . 1]" 1
425 1 25 TRP HH2 1 37 PRO HG2 1.800 . 4.500 4.406 4.056 4.530 0.030 8 0 "[ . 1]" 1
426 1 25 TRP HH2 1 37 PRO HG3 1.800 . 5.000 2.793 2.626 2.888 . 0 0 "[ . 1]" 1
427 1 25 TRP HZ2 1 26 LEU MD2 1.800 . 6.500 4.558 4.352 4.625 . 0 0 "[ . 1]" 1
428 1 25 TRP HZ2 1 30 GLY HA2 1.800 . 5.000 3.588 3.475 3.628 . 0 0 "[ . 1]" 1
429 1 25 TRP HZ2 1 30 GLY HA3 1.800 . 5.000 3.236 3.197 3.432 . 0 0 "[ . 1]" 1
430 1 25 TRP HZ2 1 31 PRO HA 1.800 . 3.500 3.026 3.001 3.055 . 0 0 "[ . 1]" 1
431 1 25 TRP HZ2 1 31 PRO HB2 1.800 . 5.000 4.953 4.745 4.999 . 0 0 "[ . 1]" 1
432 1 25 TRP HZ2 1 31 PRO HB3 1.800 . 5.000 3.512 3.236 3.584 . 0 0 "[ . 1]" 1
433 1 25 TRP HZ2 1 31 PRO HD2 1.800 . 4.500 4.544 4.540 4.551 0.051 4 0 "[ . 1]" 1
434 1 25 TRP HZ2 1 31 PRO HD3 1.800 . 5.000 3.271 3.251 3.292 . 0 0 "[ . 1]" 1
435 1 25 TRP HZ2 1 31 PRO QG 1.800 . 4.500 4.420 4.194 4.492 . 0 0 "[ . 1]" 1
436 1 25 TRP HZ2 1 37 PRO HA 1.800 . 6.000 3.825 3.743 3.897 . 0 0 "[ . 1]" 1
437 1 25 TRP HZ2 1 37 PRO HB2 1.800 . 5.300 4.674 4.363 5.117 . 0 0 "[ . 1]" 1
438 1 25 TRP HZ2 1 37 PRO HB3 1.800 . 6.000 3.342 3.054 3.757 . 0 0 "[ . 1]" 1
439 1 25 TRP HZ2 1 37 PRO QD 1.800 . 4.000 2.532 1.868 3.301 . 0 0 "[ . 1]" 1
440 1 25 TRP HZ2 1 37 PRO HG2 1.800 . 5.000 4.090 3.749 4.618 . 0 0 "[ . 1]" 1
441 1 25 TRP HZ2 1 37 PRO HG3 1.800 . 5.000 2.455 2.143 2.921 . 0 0 "[ . 1]" 1
442 1 25 TRP HZ3 1 26 LEU HA 1.800 . 5.000 4.252 4.203 4.371 . 0 0 "[ . 1]" 1
443 1 25 TRP HZ3 1 26 LEU MD1 1.800 . 5.500 3.351 3.308 3.429 . 0 0 "[ . 1]" 1
444 1 25 TRP HZ3 1 26 LEU MD2 1.800 . 4.300 1.896 1.875 1.996 . 0 0 "[ . 1]" 1
445 1 25 TRP HZ3 1 26 LEU HG 1.800 . 3.500 2.848 2.733 2.910 . 0 0 "[ . 1]" 1
446 1 25 TRP HZ3 1 30 GLY HA2 1.800 . 5.000 4.901 4.888 4.908 . 0 0 "[ . 1]" 1
447 1 25 TRP HZ3 1 30 GLY HA3 1.800 . 5.500 3.317 3.286 3.481 . 0 0 "[ . 1]" 1
448 1 25 TRP HZ3 1 31 PRO HD2 1.800 . 5.000 3.964 3.954 3.979 . 0 0 "[ . 1]" 1
449 1 25 TRP HZ3 1 31 PRO QG 1.800 . 6.000 3.802 3.405 3.891 . 0 0 "[ . 1]" 1
450 1 25 TRP HZ3 1 37 PRO HB2 1.800 . 5.300 4.958 4.882 5.017 . 0 0 "[ . 1]" 1
451 1 26 LEU H 1 26 LEU HB2 1.800 . 3.500 2.178 2.147 2.190 . 0 0 "[ . 1]" 1
452 1 26 LEU H 1 26 LEU HB3 1.800 . 3.500 3.462 3.427 3.472 . 0 0 "[ . 1]" 1
453 1 26 LEU H 1 26 LEU MD1 1.800 . 4.500 4.157 4.114 4.254 . 0 0 "[ . 1]" 1
454 1 26 LEU H 1 26 LEU MD2 1.800 . 4.500 3.634 3.558 3.654 . 0 0 "[ . 1]" 1
455 1 26 LEU H 1 26 LEU HG 1.800 . 4.300 3.202 3.149 3.323 . 0 0 "[ . 1]" 1
456 1 26 LEU H 1 27 LYS HA 1.800 . 5.000 4.899 4.892 4.925 . 0 0 "[ . 1]" 1
457 1 26 LEU H 1 28 GLU H 1.800 . 6.000 4.115 4.057 4.175 . 0 0 "[ . 1]" 1
458 1 26 LEU H 1 30 GLY H 1.800 . 5.000 4.364 4.296 4.674 . 0 0 "[ . 1]" 1
459 1 26 LEU HA 1 26 LEU MD1 1.800 . 4.500 3.687 3.617 3.713 . 0 0 "[ . 1]" 1
460 1 26 LEU HA 1 26 LEU MD2 1.800 . 4.500 1.827 1.790 1.843 0.010 4 0 "[ . 1]" 1
461 1 26 LEU HA 1 26 LEU HG 1.800 . 4.000 3.110 3.083 3.192 . 0 0 "[ . 1]" 1
462 1 26 LEU HA 1 27 LYS H 1.800 . 5.000 3.507 3.502 3.511 . 0 0 "[ . 1]" 1
463 1 26 LEU HA 1 27 LYS HA 1.800 . 5.000 4.905 4.896 4.919 . 0 0 "[ . 1]" 1
464 1 26 LEU HA 1 29 GLY H 1.800 . 4.500 2.716 2.681 2.789 . 0 0 "[ . 1]" 1
465 1 26 LEU HA 1 29 GLY HA3 1.800 . 5.500 4.813 4.782 4.882 . 0 0 "[ . 1]" 1
466 1 26 LEU HA 1 30 GLY H 1.800 . 4.000 2.255 2.143 2.695 . 0 0 "[ . 1]" 1
467 1 26 LEU HA 1 30 GLY HA2 1.800 . 4.500 3.793 3.641 3.865 . 0 0 "[ . 1]" 1
468 1 26 LEU HA 1 30 GLY HA3 1.800 . 4.500 3.030 2.728 3.109 . 0 0 "[ . 1]" 1
469 1 26 LEU HB2 1 27 LYS H 1.800 . 4.500 2.995 2.979 3.035 . 0 0 "[ . 1]" 1
470 1 26 LEU HB3 1 26 LEU MD1 1.800 . 4.500 2.256 2.199 2.278 . 0 0 "[ . 1]" 1
471 1 26 LEU HB3 1 26 LEU MD2 1.800 . 4.500 2.554 2.521 2.657 . 0 0 "[ . 1]" 1
472 1 26 LEU MD1 1 27 LYS QG 1.800 . 6.500 6.145 5.598 6.504 0.004 5 0 "[ . 1]" 1
473 1 26 LEU MD1 1 29 GLY HA2 1.800 . 5.300 5.343 5.336 5.352 0.052 4 0 "[ . 1]" 1
474 1 26 LEU MD2 1 27 LYS H 1.800 . 6.000 4.597 4.559 4.615 . 0 0 "[ . 1]" 1
475 1 26 LEU MD2 1 29 GLY H 1.800 . 5.500 3.809 3.777 3.843 . 0 0 "[ . 1]" 1
476 1 26 LEU MD2 1 29 GLY HA2 1.800 . 6.500 3.466 3.413 3.705 . 0 0 "[ . 1]" 1
477 1 26 LEU MD2 1 30 GLY H 1.800 . 5.500 3.060 2.995 3.390 . 0 0 "[ . 1]" 1
478 1 26 LEU MD2 1 30 GLY HA2 1.800 . 5.000 3.637 3.369 3.726 . 0 0 "[ . 1]" 1
479 1 26 LEU MD2 1 30 GLY HA3 1.800 . 5.000 2.259 1.931 2.370 . 0 0 "[ . 1]" 1
480 1 26 LEU MD2 1 31 PRO HD2 1.800 . 5.000 2.527 2.233 2.626 . 0 0 "[ . 1]" 1
481 1 26 LEU MD2 1 31 PRO HD3 1.800 . 5.000 2.372 2.023 2.486 . 0 0 "[ . 1]" 1
482 1 26 LEU MD2 1 31 PRO QG 1.800 . 5.500 3.199 2.828 3.314 . 0 0 "[ . 1]" 1
483 1 26 LEU HG 1 27 LYS H 1.800 . 5.000 4.911 4.886 5.003 0.003 4 0 "[ . 1]" 1
484 1 27 LYS H 1 27 LYS QD 1.800 . 4.500 3.591 2.823 4.477 . 0 0 "[ . 1]" 1
485 1 27 LYS H 1 28 GLU H 1.800 . 3.500 2.792 2.774 2.822 . 0 0 "[ . 1]" 1
486 1 27 LYS H 1 29 GLY H 1.800 . 5.000 3.981 3.958 3.999 . 0 0 "[ . 1]" 1
487 1 27 LYS H 1 30 GLY H 1.800 . 5.300 4.646 4.571 4.867 . 0 0 "[ . 1]" 1
488 1 27 LYS HA 1 27 LYS QD 1.800 . 4.500 3.516 2.684 3.982 . 0 0 "[ . 1]" 1
489 1 27 LYS HA 1 27 LYS QE 1.800 . 5.000 4.145 2.916 4.604 . 0 0 "[ . 1]" 1
490 1 27 LYS HA 1 27 LYS QG 1.800 . 4.500 2.085 2.003 2.231 . 0 0 "[ . 1]" 1
491 1 27 LYS HA 1 28 GLU H 1.800 . 3.500 3.487 3.469 3.502 0.002 4 0 "[ . 1]" 1
492 1 27 LYS HA 1 29 GLY H 1.800 . 4.500 4.397 4.367 4.425 . 0 0 "[ . 1]" 1
493 1 27 LYS QB 1 27 LYS QE 1.800 . 4.500 3.386 2.700 3.759 . 0 0 "[ . 1]" 1
494 1 27 LYS QD 1 27 LYS QE 1.800 . 3.500 2.034 1.990 2.067 . 0 0 "[ . 1]" 1
495 1 27 LYS QE 1 27 LYS QG 1.800 . 4.500 2.153 1.958 2.346 . 0 0 "[ . 1]" 1
496 1 28 GLU H 1 28 GLU HG2 1.800 . 4.000 2.455 2.062 2.661 . 0 0 "[ . 1]" 1
497 1 28 GLU H 1 28 GLU HG3 1.800 . 4.000 2.545 2.283 2.704 . 0 0 "[ . 1]" 1
498 1 28 GLU H 1 29 GLY H 1.800 . 3.500 2.207 2.158 2.295 . 0 0 "[ . 1]" 1
499 1 28 GLU H 1 30 GLY H 1.800 . 5.000 3.346 3.297 3.415 . 0 0 "[ . 1]" 1
500 1 28 GLU HA 1 28 GLU HG2 1.800 . 4.000 2.948 2.683 3.859 . 0 0 "[ . 1]" 1
501 1 28 GLU HA 1 28 GLU HG3 1.800 . 4.000 3.749 3.628 3.836 . 0 0 "[ . 1]" 1
502 1 28 GLU HA 1 29 GLY H 1.800 . 3.500 3.480 3.473 3.492 . 0 0 "[ . 1]" 1
503 1 28 GLU QB 1 29 GLY H 1.800 . 4.500 3.085 2.955 3.565 . 0 0 "[ . 1]" 1
504 1 28 GLU QB 1 30 GLY H 1.800 . 5.000 3.581 3.403 4.289 . 0 0 "[ . 1]" 1
505 1 28 GLU QB 1 33 SER HB2 1.800 . 5.500 3.115 2.525 4.544 . 0 0 "[ . 1]" 1
506 1 28 GLU HG2 1 29 GLY H 1.800 . 6.000 4.179 3.328 4.456 . 0 0 "[ . 1]" 1
507 1 28 GLU HG3 1 29 GLY H 1.800 . 5.000 3.747 2.222 4.213 . 0 0 "[ . 1]" 1
508 1 28 GLU HG3 1 33 SER HB2 1.800 . 5.000 4.903 4.569 5.010 0.010 5 0 "[ . 1]" 1
509 1 29 GLY H 1 30 GLY H 1.800 . 2.500 1.799 1.792 1.826 0.008 7 0 "[ . 1]" 1
510 1 29 GLY H 1 31 PRO HD3 1.800 . 5.500 5.647 5.629 5.656 0.156 7 0 "[ . 1]" 1
511 1 29 GLY H 1 33 SER HB2 1.800 . 5.500 4.743 4.117 5.510 0.010 4 0 "[ . 1]" 1
512 1 29 GLY HA2 1 32 SER QB 1.800 . 5.000 4.114 3.472 4.321 . 0 0 "[ . 1]" 1
513 1 29 GLY HA3 1 32 SER QB 1.800 . 4.500 3.049 2.902 3.202 . 0 0 "[ . 1]" 1
514 1 30 GLY H 1 31 PRO HD3 1.800 . 5.000 4.198 4.146 4.438 . 0 0 "[ . 1]" 1
515 1 30 GLY H 1 33 SER HB2 1.800 . 5.500 4.366 3.824 5.145 . 0 0 "[ . 1]" 1
516 1 30 GLY H 1 33 SER HB3 1.800 . 5.500 5.210 4.629 5.506 0.006 8 0 "[ . 1]" 1
517 1 30 GLY HA2 1 31 PRO HD2 1.800 . 3.800 3.838 3.822 3.906 0.106 4 0 "[ . 1]" 1
518 1 30 GLY HA2 1 31 PRO HD3 1.800 . 3.800 3.731 3.524 3.786 . 0 0 "[ . 1]" 1
519 1 30 GLY HA2 1 31 PRO QG 1.800 . 5.000 5.177 5.118 5.187 0.187 2 0 "[ . 1]" 1
520 1 30 GLY HA3 1 31 PRO HD2 1.800 . 3.500 2.549 2.452 2.572 . 0 0 "[ . 1]" 1
521 1 30 GLY HA3 1 31 PRO HD3 1.800 . 3.500 2.143 1.974 2.196 . 0 0 "[ . 1]" 1
522 1 31 PRO HA 1 31 PRO HD2 1.800 . 5.000 4.078 4.057 4.083 . 0 0 "[ . 1]" 1
523 1 31 PRO HA 1 32 SER H 1.800 . 5.500 2.685 2.565 2.802 . 0 0 "[ . 1]" 1
524 1 31 PRO HA 1 33 SER H 1.800 . 5.500 4.394 3.783 4.685 . 0 0 "[ . 1]" 1
525 1 31 PRO HA 1 35 ARG H 1.800 . 5.500 4.901 3.994 5.511 0.011 5 0 "[ . 1]" 1
526 1 31 PRO HB2 1 32 SER HA 1.800 . 5.500 4.833 4.738 4.931 . 0 0 "[ . 1]" 1
527 1 31 PRO HB3 1 31 PRO HD3 1.800 . 3.500 3.066 3.032 3.161 . 0 0 "[ . 1]" 1
528 1 31 PRO QG 1 32 SER HA 1.800 . 5.500 5.266 5.082 5.326 . 0 0 "[ . 1]" 1
529 1 32 SER HA 1 33 SER H 1.800 . 5.000 3.338 2.845 3.546 . 0 0 "[ . 1]" 1
530 1 32 SER HA 1 33 SER HA 1.800 . 5.500 4.672 4.347 4.838 . 0 0 "[ . 1]" 1
531 1 32 SER HA 1 34 GLY H 1.800 . 5.500 4.331 3.556 5.263 . 0 0 "[ . 1]" 1
532 1 33 SER H 1 33 SER HB3 1.800 . 3.500 3.038 2.708 3.508 0.008 4 0 "[ . 1]" 1
533 1 33 SER H 1 34 GLY HA2 1.800 . 5.500 4.694 3.961 5.073 . 0 0 "[ . 1]" 1
534 1 33 SER HB2 1 35 ARG H 1.800 . 5.500 4.910 4.254 5.502 0.002 4 0 "[ . 1]" 1
535 1 33 SER HB2 1 35 ARG QD 1.800 . 5.000 4.126 2.889 5.007 0.007 4 0 "[ . 1]" 1
536 1 33 SER HB3 1 34 GLY H 1.800 . 5.500 3.022 1.974 4.162 . 0 0 "[ . 1]" 1
537 1 33 SER HB3 1 35 ARG H 1.800 . 5.000 3.727 2.636 4.903 . 0 0 "[ . 1]" 1
538 1 33 SER HB3 1 35 ARG QD 1.800 . 5.000 3.003 1.933 3.928 . 0 0 "[ . 1]" 1
539 1 34 GLY H 1 35 ARG H 1.800 . 3.500 2.429 1.901 3.134 . 0 0 "[ . 1]" 1
540 1 34 GLY HA2 1 35 ARG H 1.800 . 3.500 2.844 2.394 3.377 . 0 0 "[ . 1]" 1
541 1 35 ARG H 1 35 ARG QD 1.800 . 5.000 3.887 3.341 4.503 . 0 0 "[ . 1]" 1
542 1 35 ARG H 1 35 ARG HG2 1.800 . 5.000 3.014 1.940 5.003 0.003 4 0 "[ . 1]" 1
543 1 35 ARG H 1 35 ARG HG3 1.800 . 5.000 3.991 3.444 4.595 . 0 0 "[ . 1]" 1
544 1 35 ARG H 1 36 PRO HD2 1.800 . 5.000 4.982 4.890 5.054 0.054 6 0 "[ . 1]" 1
545 1 35 ARG HA 1 35 ARG QD 1.800 . 4.500 3.815 2.674 4.491 . 0 0 "[ . 1]" 1
546 1 35 ARG HA 1 35 ARG HG2 1.800 . 4.000 3.573 3.545 3.607 . 0 0 "[ . 1]" 1
547 1 35 ARG HA 1 35 ARG HG3 1.800 . 4.000 3.522 2.272 4.044 0.044 3 0 "[ . 1]" 1
548 1 35 ARG HA 1 36 PRO HD2 1.800 . 5.000 2.628 2.227 2.992 . 0 0 "[ . 1]" 1
549 1 35 ARG HA 1 36 PRO HD3 1.800 . 5.000 2.157 1.981 2.278 . 0 0 "[ . 1]" 1
550 1 35 ARG HA 1 36 PRO QG 1.800 . 5.000 3.976 3.816 4.043 . 0 0 "[ . 1]" 1
551 1 35 ARG QB 1 35 ARG QD 1.800 . 4.500 2.187 1.967 2.414 . 0 0 "[ . 1]" 1
552 1 35 ARG QB 1 36 PRO HD2 1.800 . 4.500 2.528 1.927 4.099 . 0 0 "[ . 1]" 1
553 1 35 ARG QB 1 36 PRO HD3 1.800 . 5.000 3.371 2.708 4.305 . 0 0 "[ . 1]" 1
554 1 35 ARG HG2 1 36 PRO HD2 1.800 . 5.000 4.380 3.661 4.679 . 0 0 "[ . 1]" 1
555 1 35 ARG HG2 1 36 PRO HD3 1.800 . 5.300 5.143 4.905 5.311 0.011 10 0 "[ . 1]" 1
556 1 35 ARG HG3 1 36 PRO HD2 1.800 . 5.000 3.369 1.979 4.121 . 0 0 "[ . 1]" 1
557 1 35 ARG HG3 1 36 PRO HD3 1.800 . 5.300 4.544 3.448 5.301 0.001 2 0 "[ . 1]" 1
558 1 36 PRO HA 1 37 PRO QD 1.800 . 4.500 1.848 1.792 1.953 0.008 3 0 "[ . 1]" 1
559 1 36 PRO HA 1 37 PRO HG2 1.800 . 5.000 4.256 3.943 4.632 . 0 0 "[ . 1]" 1
560 1 36 PRO HA 1 37 PRO HG3 1.800 . 5.000 4.185 3.835 4.469 . 0 0 "[ . 1]" 1
561 1 36 PRO HB2 1 37 PRO QD 1.800 . 4.000 3.229 2.212 3.958 . 0 0 "[ . 1]" 1
562 1 36 PRO HB3 1 37 PRO QD 1.800 . 4.500 3.454 2.942 3.832 . 0 0 "[ . 1]" 1
563 1 36 PRO HD2 1 37 PRO QD 1.800 . 5.000 5.049 5.003 5.104 0.104 4 0 "[ . 1]" 1
564 1 36 PRO HD3 1 37 PRO QD 1.800 . 6.000 5.098 4.958 5.294 . 0 0 "[ . 1]" 1
565 1 36 PRO QG 1 37 PRO QD 1.800 . 4.500 4.270 3.787 4.558 0.058 2 0 "[ . 1]" 1
566 1 37 PRO HA 1 37 PRO QD 1.800 . 5.000 3.297 3.074 3.502 . 0 0 "[ . 1]" 1
567 1 37 PRO HA 1 38 PRO HD2 1.800 . 3.000 2.275 2.104 2.440 . 0 0 "[ . 1]" 1
568 1 37 PRO HA 1 38 PRO HD3 1.800 . 3.000 2.313 2.233 2.411 . 0 0 "[ . 1]" 1
569 1 37 PRO HA 1 38 PRO HG2 1.800 . 5.000 4.415 4.288 4.531 . 0 0 "[ . 1]" 1
570 1 37 PRO HA 1 38 PRO HG3 1.800 . 5.000 4.428 4.410 4.454 . 0 0 "[ . 1]" 1
571 1 37 PRO HB2 1 38 PRO HD2 1.800 . 3.500 3.151 2.951 3.320 . 0 0 "[ . 1]" 1
572 1 37 PRO HB2 1 38 PRO HD3 1.800 . 5.500 4.337 4.133 4.532 . 0 0 "[ . 1]" 1
573 1 37 PRO HB3 1 38 PRO HD2 1.800 . 3.500 2.827 2.678 3.015 . 0 0 "[ . 1]" 1
574 1 37 PRO HB3 1 38 PRO HD3 1.800 . 5.000 3.993 3.754 4.260 . 0 0 "[ . 1]" 1
575 1 38 PRO HA 1 38 PRO HD2 1.800 . 5.000 4.097 4.090 4.102 . 0 0 "[ . 1]" 1
576 1 38 PRO HA 1 38 PRO HD3 1.800 . 5.000 3.604 3.497 3.695 . 0 0 "[ . 1]" 1
577 1 38 PRO HA 1 39 SER H 1.800 . 3.000 2.683 2.674 2.699 . 0 0 "[ . 1]" 1
578 1 38 PRO HB2 1 38 PRO HD3 1.800 . 4.000 3.914 3.891 3.934 . 0 0 "[ . 1]" 1
579 1 38 PRO HB2 1 39 SER H 1.800 . 4.500 1.988 1.979 2.004 . 0 0 "[ . 1]" 1
580 1 38 PRO HB3 1 38 PRO HD3 1.800 . 3.500 2.970 2.945 2.994 . 0 0 "[ . 1]" 1
581 1 38 PRO HB3 1 39 SER H 1.800 . 4.500 3.186 3.110 3.244 . 0 0 "[ . 1]" 1
582 1 38 PRO HD2 1 39 SER H 1.800 . 5.500 5.312 5.243 5.382 . 0 0 "[ . 1]" 1
583 1 38 PRO HD3 1 39 SER H 1.800 . 5.500 5.351 5.313 5.381 . 0 0 "[ . 1]" 1
584 1 38 PRO HG3 1 39 SER H 1.800 . 5.500 4.579 4.557 4.600 . 0 0 "[ . 1]" 1
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