NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
370693 |
1bym   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bym
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 816
_Distance_constraint_stats_list.Viol_count 1242
_Distance_constraint_stats_list.Viol_total 1265.138
_Distance_constraint_stats_list.Viol_max 0.329
_Distance_constraint_stats_list.Viol_rms 0.0207
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0509
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ILE 0.123 0.062 7 0 "[ . 1 . 2]"
1 4 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LEU 0.160 0.050 17 0 "[ . 1 . 2]"
1 7 ASP 0.242 0.050 17 0 "[ . 1 . 2]"
1 8 GLU 0.165 0.064 16 0 "[ . 1 . 2]"
1 9 LEU 0.116 0.064 16 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.011 0.006 17 0 "[ . 1 . 2]"
1 12 GLY 0.011 0.006 17 0 "[ . 1 . 2]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ALA 0.007 0.007 18 0 "[ . 1 . 2]"
1 17 ALA 0.116 0.050 10 0 "[ . 1 . 2]"
1 18 ALA 0.059 0.044 12 0 "[ . 1 . 2]"
1 19 PRO 0.054 0.054 10 0 "[ . 1 . 2]"
1 20 GLY 0.216 0.055 16 0 "[ . 1 . 2]"
1 21 THR 0.296 0.097 16 0 "[ . 1 . 2]"
1 22 ARG 0.012 0.007 5 0 "[ . 1 . 2]"
1 23 VAL 4.864 0.272 17 0 "[ . 1 . 2]"
1 24 ILE 6.767 0.329 12 0 "[ . 1 . 2]"
1 25 ASP 0.701 0.056 2 0 "[ . 1 . 2]"
1 26 ALA 0.674 0.138 8 0 "[ . 1 . 2]"
1 27 ALA 0.623 0.196 14 0 "[ . 1 . 2]"
1 28 THR 0.831 0.091 1 0 "[ . 1 . 2]"
1 29 SER 0.188 0.056 12 0 "[ . 1 . 2]"
1 30 MET 0.531 0.082 15 0 "[ . 1 . 2]"
1 31 PRO 0.168 0.086 4 0 "[ . 1 . 2]"
1 32 ARG 0.413 0.091 1 0 "[ . 1 . 2]"
1 33 LYS 0.502 0.070 4 0 "[ . 1 . 2]"
1 34 VAL 1.887 0.188 11 0 "[ . 1 . 2]"
1 35 ARG 3.226 0.262 18 0 "[ . 1 . 2]"
1 36 ILE 7.756 0.323 12 0 "[ . 1 . 2]"
1 37 VAL 0.327 0.045 5 0 "[ . 1 . 2]"
1 38 GLN 0.783 0.137 5 0 "[ . 1 . 2]"
1 39 ILE 0.005 0.005 15 0 "[ . 1 . 2]"
1 40 ASN 0.352 0.137 5 0 "[ . 1 . 2]"
1 41 GLU 0.128 0.048 2 0 "[ . 1 . 2]"
1 42 ILE 0.760 0.064 6 0 "[ . 1 . 2]"
1 43 PHE 0.918 0.115 2 0 "[ . 1 . 2]"
1 44 GLN 0.371 0.073 8 0 "[ . 1 . 2]"
1 45 VAL 0.487 0.194 8 0 "[ . 1 . 2]"
1 46 GLU 0.593 0.194 8 0 "[ . 1 . 2]"
1 47 THR 0.531 0.078 7 0 "[ . 1 . 2]"
1 48 ASP 0.526 0.073 8 0 "[ . 1 . 2]"
1 49 GLN 0.471 0.072 18 0 "[ . 1 . 2]"
1 50 PHE 0.841 0.051 13 0 "[ . 1 . 2]"
1 51 THR 0.403 0.028 4 0 "[ . 1 . 2]"
1 52 GLN 1.902 0.085 2 0 "[ . 1 . 2]"
1 53 LEU 2.598 0.085 2 0 "[ . 1 . 2]"
1 54 LEU 1.456 0.062 13 0 "[ . 1 . 2]"
1 55 ASP 0.881 0.051 11 0 "[ . 1 . 2]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASP 0.039 0.013 12 0 "[ . 1 . 2]"
1 58 ILE 1.029 0.238 9 0 "[ . 1 . 2]"
1 59 ARG 1.168 0.098 15 0 "[ . 1 . 2]"
1 60 VAL 3.539 0.223 19 0 "[ . 1 . 2]"
1 61 GLY 1.034 0.127 12 0 "[ . 1 . 2]"
1 62 SER 2.692 0.223 19 0 "[ . 1 . 2]"
1 63 GLU 0.439 0.060 2 0 "[ . 1 . 2]"
1 64 VAL 4.717 0.219 2 0 "[ . 1 . 2]"
1 65 GLU 3.389 0.159 10 0 "[ . 1 . 2]"
1 66 ILE 5.115 0.230 2 0 "[ . 1 . 2]"
1 67 VAL 0.502 0.086 4 0 "[ . 1 . 2]"
1 68 ASP 0.045 0.033 19 0 "[ . 1 . 2]"
1 69 ARG 1.909 0.091 20 0 "[ . 1 . 2]"
1 70 ASP 0.024 0.012 11 0 "[ . 1 . 2]"
1 71 GLY 0.779 0.078 10 0 "[ . 1 . 2]"
1 72 HIS 1.248 0.079 12 0 "[ . 1 . 2]"
1 73 ILE 0.603 0.174 12 0 "[ . 1 . 2]"
1 74 THR 0.120 0.035 15 0 "[ . 1 . 2]"
1 75 LEU 4.336 0.219 2 0 "[ . 1 . 2]"
1 76 SER 0.130 0.037 4 0 "[ . 1 . 2]"
1 77 HIS 1.834 0.104 11 0 "[ . 1 . 2]"
1 78 ASN 0.041 0.041 8 0 "[ . 1 . 2]"
1 79 GLY 0.294 0.047 7 0 "[ . 1 . 2]"
1 80 LYS 0.395 0.047 7 0 "[ . 1 . 2]"
1 81 ASP 0.537 0.071 4 0 "[ . 1 . 2]"
1 82 VAL 0.132 0.127 2 0 "[ . 1 . 2]"
1 83 GLU 0.140 0.127 2 0 "[ . 1 . 2]"
1 84 LEU 0.413 0.108 6 0 "[ . 1 . 2]"
1 85 LEU 0.541 0.089 14 0 "[ . 1 . 2]"
1 86 ASP 0.256 0.082 9 0 "[ . 1 . 2]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.235 0.031 14 0 "[ . 1 . 2]"
1 89 ALA 5.569 0.263 17 0 "[ . 1 . 2]"
1 90 HIS 0.181 0.062 19 0 "[ . 1 . 2]"
1 91 THR 1.233 0.076 11 0 "[ . 1 . 2]"
1 92 ILE 7.614 0.195 17 0 "[ . 1 . 2]"
1 93 ARG 0.347 0.064 9 0 "[ . 1 . 2]"
1 94 ILE 6.932 0.323 12 0 "[ . 1 . 2]"
1 95 GLU 0.053 0.021 17 0 "[ . 1 . 2]"
1 96 GLU 0.259 0.068 6 0 "[ . 1 . 2]"
1 97 LEU 0.138 0.048 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASN HA 1 2 PRO QD 1.800 . 4.600 2.462 1.909 3.466 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO QB 1 3 ILE H 1.800 . 6.300 3.140 1.888 4.023 . 0 0 "[ . 1 . 2]" 1
3 1 2 PRO QD 1 3 ILE H 1.800 . 4.600 3.038 2.456 4.136 . 0 0 "[ . 1 . 2]" 1
4 1 3 ILE HA 1 3 ILE MG 1.800 . 6.400 2.517 2.119 3.198 . 0 0 "[ . 1 . 2]" 1
5 1 3 ILE HA 1 4 PRO HD3 1.800 . 3.500 2.378 2.173 3.034 . 0 0 "[ . 1 . 2]" 1
6 1 3 ILE HA 1 4 PRO HD2 1.800 . 3.500 2.152 1.990 2.577 . 0 0 "[ . 1 . 2]" 1
7 1 3 ILE H 1 3 ILE HB 1.800 . 3.500 2.814 2.312 3.562 0.062 7 0 "[ . 1 . 2]" 1
8 1 3 ILE H 1 3 ILE HG13 1.800 . 5.000 3.170 2.067 4.720 . 0 0 "[ . 1 . 2]" 1
9 1 3 ILE H 1 3 ILE HG12 1.800 . 5.000 3.482 1.935 4.802 . 0 0 "[ . 1 . 2]" 1
10 1 3 ILE H 1 3 ILE MG 1.800 . 4.600 3.132 1.829 3.871 . 0 0 "[ . 1 . 2]" 1
11 1 4 PRO HA 1 4 PRO HD3 1.800 . 5.000 3.663 3.647 3.686 . 0 0 "[ . 1 . 2]" 1
12 1 4 PRO QB 1 5 GLY H 1.800 . 4.600 2.884 1.900 3.853 . 0 0 "[ . 1 . 2]" 1
13 1 4 PRO QG 1 5 GLY H 1.800 . 6.300 3.104 1.831 4.777 . 0 0 "[ . 1 . 2]" 1
14 1 5 GLY QA 1 6 LEU H 1.800 . 3.800 2.380 2.157 2.937 . 0 0 "[ . 1 . 2]" 1
15 1 5 GLY H 1 6 LEU H 1.800 . 5.000 3.563 1.867 4.698 . 0 0 "[ . 1 . 2]" 1
16 1 6 LEU HA 1 6 LEU MD2 1.800 . 6.400 3.200 2.018 3.927 . 0 0 "[ . 1 . 2]" 1
17 1 6 LEU HA 1 7 ASP H 1.800 . 3.500 2.929 2.245 3.550 0.050 17 0 "[ . 1 . 2]" 1
18 1 6 LEU H 1 6 LEU QB 1.800 . 4.600 2.577 1.920 3.323 . 0 0 "[ . 1 . 2]" 1
19 1 6 LEU QB 1 7 ASP H 1.800 . 6.000 2.935 1.861 4.046 . 0 0 "[ . 1 . 2]" 1
20 1 6 LEU H 1 6 LEU MD1 1.800 . 6.400 3.641 2.375 4.730 . 0 0 "[ . 1 . 2]" 1
21 1 6 LEU H 1 7 ASP H 1.800 . 5.000 3.410 1.823 4.702 . 0 0 "[ . 1 . 2]" 1
22 1 6 LEU H 1 8 GLU H 1.800 . 6.000 5.132 3.497 5.984 . 0 0 "[ . 1 . 2]" 1
23 1 7 ASP HA 1 8 GLU H 1.800 . 3.500 2.894 2.211 3.535 0.035 10 0 "[ . 1 . 2]" 1
24 1 7 ASP HA 1 9 LEU H 1.800 . 5.000 4.262 3.259 5.002 0.002 7 0 "[ . 1 . 2]" 1
25 1 7 ASP H 1 7 ASP QB 1.800 . 3.800 2.551 2.036 3.188 . 0 0 "[ . 1 . 2]" 1
26 1 7 ASP QB 1 8 GLU H 1.800 . 6.300 3.413 1.852 4.066 . 0 0 "[ . 1 . 2]" 1
27 1 7 ASP H 1 8 GLU H 1.800 . 5.000 3.313 2.063 4.506 . 0 0 "[ . 1 . 2]" 1
28 1 8 GLU HA 1 9 LEU H 1.800 . 3.500 2.874 2.348 3.564 0.064 16 0 "[ . 1 . 2]" 1
29 1 8 GLU QB 1 9 LEU H 1.800 . 6.300 3.653 1.818 4.047 . 0 0 "[ . 1 . 2]" 1
30 1 8 GLU H 1 8 GLU QG 1.800 . 6.300 3.194 1.955 4.069 . 0 0 "[ . 1 . 2]" 1
31 1 8 GLU QG 1 9 LEU H 1.800 . 7.400 4.116 2.172 4.837 . 0 0 "[ . 1 . 2]" 1
32 1 9 LEU HA 1 10 GLY H 1.800 . 5.000 2.805 2.216 3.591 . 0 0 "[ . 1 . 2]" 1
33 1 9 LEU HA 1 9 LEU MD2 1.800 . 4.600 3.072 1.974 3.820 . 0 0 "[ . 1 . 2]" 1
34 1 9 LEU H 1 9 LEU HB3 1.800 . 3.500 2.877 2.222 3.463 . 0 0 "[ . 1 . 2]" 1
35 1 9 LEU H 1 9 LEU HB2 1.800 . 3.500 2.432 1.941 3.524 0.024 7 0 "[ . 1 . 2]" 1
36 1 10 GLY QA 1 11 VAL H 1.800 . 6.300 2.397 2.190 2.847 . 0 0 "[ . 1 . 2]" 1
37 1 11 VAL HA 1 11 VAL QG 1.800 . 6.500 2.172 2.010 2.378 . 0 0 "[ . 1 . 2]" 1
38 1 11 VAL HA 1 12 GLY H 1.800 . 3.500 2.875 2.211 3.506 0.006 17 0 "[ . 1 . 2]" 1
39 1 11 VAL HB 1 12 GLY H 1.800 . 5.000 3.621 1.871 4.679 . 0 0 "[ . 1 . 2]" 1
40 1 11 VAL H 1 11 VAL QG 1.800 . 8.700 2.188 1.860 2.852 . 0 0 "[ . 1 . 2]" 1
41 1 12 GLY QA 1 13 ASN H 1.800 . 6.300 2.495 2.164 2.926 . 0 0 "[ . 1 . 2]" 1
42 1 15 ASP HA 1 16 ALA H 1.800 . 5.000 2.669 2.210 3.587 . 0 0 "[ . 1 . 2]" 1
43 1 15 ASP QB 1 16 ALA H 1.800 . 4.600 3.248 1.942 4.055 . 0 0 "[ . 1 . 2]" 1
44 1 16 ALA HA 1 17 ALA H 1.800 . 3.500 2.821 2.218 3.507 0.007 18 0 "[ . 1 . 2]" 1
45 1 16 ALA H 1 16 ALA MB 1.800 . 4.600 2.366 1.938 2.835 . 0 0 "[ . 1 . 2]" 1
46 1 17 ALA HA 1 18 ALA H 1.800 . 3.500 2.783 2.219 3.544 0.044 12 0 "[ . 1 . 2]" 1
47 1 17 ALA H 1 17 ALA MB 1.800 . 4.600 2.541 2.065 2.856 . 0 0 "[ . 1 . 2]" 1
48 1 17 ALA MB 1 18 ALA H 1.800 . 6.400 3.141 1.808 3.724 . 0 0 "[ . 1 . 2]" 1
49 1 17 ALA H 1 18 ALA H 1.800 . 5.000 3.197 1.851 4.401 . 0 0 "[ . 1 . 2]" 1
50 1 18 ALA HA 1 19 PRO HD3 1.800 . 3.500 2.272 2.153 3.308 . 0 0 "[ . 1 . 2]" 1
51 1 18 ALA HA 1 19 PRO HD2 1.800 . 3.500 2.404 2.074 2.676 . 0 0 "[ . 1 . 2]" 1
52 1 17 ALA H 1 18 ALA MB 1.800 . 7.600 4.331 3.403 5.084 . 0 0 "[ . 1 . 2]" 1
53 1 18 ALA H 1 18 ALA MB 1.800 . 4.600 2.733 1.959 2.856 . 0 0 "[ . 1 . 2]" 1
54 1 18 ALA MB 1 19 PRO HD3 1.800 . 4.600 3.406 2.952 3.858 . 0 0 "[ . 1 . 2]" 1
55 1 18 ALA MB 1 19 PRO HD2 1.800 . 4.600 2.505 1.917 3.963 . 0 0 "[ . 1 . 2]" 1
56 1 18 ALA MB 1 93 ARG HD3 1.800 . 8.600 5.353 2.917 6.727 . 0 0 "[ . 1 . 2]" 1
57 1 18 ALA MB 1 93 ARG HD2 1.800 . 8.600 5.942 3.634 7.056 . 0 0 "[ . 1 . 2]" 1
58 1 19 PRO HA 1 20 GLY H 1.800 . 2.900 2.546 2.217 2.954 0.054 10 0 "[ . 1 . 2]" 1
59 1 19 PRO QB 1 37 VAL MG2 1.800 . 7.800 4.451 2.247 5.687 . 0 0 "[ . 1 . 2]" 1
60 1 19 PRO HB3 1 20 GLY H 1.800 . 5.000 4.583 4.153 4.707 . 0 0 "[ . 1 . 2]" 1
61 1 19 PRO HB2 1 20 GLY H 1.800 . 5.000 4.244 3.693 4.371 . 0 0 "[ . 1 . 2]" 1
62 1 20 GLY HA3 1 37 VAL MG2 1.800 . 6.400 3.975 2.307 5.321 . 0 0 "[ . 1 . 2]" 1
63 1 20 GLY HA3 1 21 THR H 1.800 . 3.500 3.021 2.199 3.531 0.031 20 0 "[ . 1 . 2]" 1
64 1 20 GLY HA2 1 37 VAL MG2 1.800 . 6.400 3.687 3.090 4.857 . 0 0 "[ . 1 . 2]" 1
65 1 20 GLY HA2 1 21 THR H 1.800 . 3.500 2.468 2.194 3.555 0.055 16 0 "[ . 1 . 2]" 1
66 1 17 ALA H 1 20 GLY H 1.800 . 6.000 5.578 4.662 6.050 0.050 10 0 "[ . 1 . 2]" 1
67 1 20 GLY H 1 21 THR H 1.800 . 5.000 4.003 2.734 4.557 . 0 0 "[ . 1 . 2]" 1
68 1 20 GLY H 1 37 VAL MG2 1.800 . 6.400 5.015 2.686 5.364 . 0 0 "[ . 1 . 2]" 1
69 1 21 THR HA 1 21 THR MG 1.800 . 4.600 2.326 2.034 2.546 . 0 0 "[ . 1 . 2]" 1
70 1 21 THR HA 1 22 ARG H 1.800 . 3.500 2.913 2.241 3.507 0.007 5 0 "[ . 1 . 2]" 1
71 1 21 THR H 1 21 THR HB 1.800 . 3.500 2.688 2.269 3.597 0.097 16 0 "[ . 1 . 2]" 1
72 1 21 THR HB 1 26 ALA MB 1.800 . 6.400 3.556 2.492 4.535 . 0 0 "[ . 1 . 2]" 1
73 1 21 THR HB 1 94 ILE MD 1.800 . 4.600 3.367 2.243 3.795 . 0 0 "[ . 1 . 2]" 1
74 1 21 THR MG 1 22 ARG H 1.800 . 6.400 3.250 1.826 4.365 . 0 0 "[ . 1 . 2]" 1
75 1 21 THR MG 1 25 ASP HB3 1.800 . 6.400 2.353 1.772 3.462 0.028 11 0 "[ . 1 . 2]" 1
76 1 21 THR MG 1 25 ASP HB2 1.800 . 6.400 3.074 1.881 4.231 . 0 0 "[ . 1 . 2]" 1
77 1 21 THR MG 1 26 ALA MB 1.800 . 4.800 2.636 1.764 3.020 0.036 10 0 "[ . 1 . 2]" 1
78 1 21 THR MG 1 26 ALA H 1.800 . 6.400 3.562 2.354 4.714 . 0 0 "[ . 1 . 2]" 1
79 1 21 THR MG 1 94 ILE MD 1.800 . 6.000 3.696 2.857 4.029 . 0 0 "[ . 1 . 2]" 1
80 1 21 THR MG 1 94 ILE QG 1.800 . 8.200 4.017 3.090 5.893 . 0 0 "[ . 1 . 2]" 1
81 1 21 THR H 1 22 ARG H 1.800 . 5.000 3.124 1.822 4.577 . 0 0 "[ . 1 . 2]" 1
82 1 21 THR H 1 37 VAL MG2 1.800 . 6.500 4.695 4.064 5.469 . 0 0 "[ . 1 . 2]" 1
83 1 22 ARG HA 1 23 VAL H 1.800 . 2.900 2.256 2.203 2.502 . 0 0 "[ . 1 . 2]" 1
84 1 22 ARG QB 1 22 ARG QD 1.800 . 7.700 2.169 1.908 2.693 . 0 0 "[ . 1 . 2]" 1
85 1 22 ARG QB 1 22 ARG QG 1.800 . 4.800 2.069 2.012 2.108 . 0 0 "[ . 1 . 2]" 1
86 1 22 ARG H 1 22 ARG QB 1.800 . 3.800 2.833 2.049 3.384 . 0 0 "[ . 1 . 2]" 1
87 1 22 ARG QB 1 23 VAL H 1.800 . 4.600 3.258 2.446 3.709 . 0 0 "[ . 1 . 2]" 1
88 1 22 ARG QB 1 24 ILE MD 1.800 . 5.800 2.959 1.848 4.292 . 0 0 "[ . 1 . 2]" 1
89 1 22 ARG QB 1 24 ILE H 1.800 . 7.400 3.910 2.376 5.905 . 0 0 "[ . 1 . 2]" 1
90 1 22 ARG QB 1 25 ASP H 1.800 . 7.400 3.315 1.867 6.050 . 0 0 "[ . 1 . 2]" 1
91 1 22 ARG HD3 1 24 ILE MD 1.800 . 7.600 4.641 2.345 6.184 . 0 0 "[ . 1 . 2]" 1
92 1 22 ARG HD2 1 24 ILE MD 1.800 . 7.600 4.239 2.331 5.906 . 0 0 "[ . 1 . 2]" 1
93 1 22 ARG H 1 22 ARG QG 1.800 . 4.600 2.797 1.824 4.086 . 0 0 "[ . 1 . 2]" 1
94 1 22 ARG QG 1 23 VAL H 1.800 . 6.300 4.049 3.425 4.654 . 0 0 "[ . 1 . 2]" 1
95 1 23 VAL HA 1 23 VAL QG 1.800 . 5.500 2.115 1.939 2.323 . 0 0 "[ . 1 . 2]" 1
96 1 23 VAL HA 1 26 ALA MB 1.800 . 4.600 3.524 2.556 3.729 . 0 0 "[ . 1 . 2]" 1
97 1 23 VAL HA 1 26 ALA H 1.800 . 5.000 3.850 3.269 4.267 . 0 0 "[ . 1 . 2]" 1
98 1 23 VAL HA 1 66 ILE MD 1.800 . 7.400 2.571 1.781 4.434 0.019 12 0 "[ . 1 . 2]" 1
99 1 23 VAL HA 1 94 ILE MG 1.800 . 6.400 3.046 1.919 3.897 . 0 0 "[ . 1 . 2]" 1
100 1 23 VAL H 1 23 VAL HB 1.800 . 3.500 2.457 2.013 3.536 0.036 17 0 "[ . 1 . 2]" 1
101 1 23 VAL HB 1 24 ILE H 1.800 . 5.000 3.599 1.905 4.652 . 0 0 "[ . 1 . 2]" 1
102 1 23 VAL HB 1 94 ILE QG 1.800 . 4.600 3.605 2.733 3.950 . 0 0 "[ . 1 . 2]" 1
103 1 23 VAL HB 1 94 ILE MG 1.800 . 6.400 2.778 1.711 4.095 0.089 14 0 "[ . 1 . 2]" 1
104 1 23 VAL QG 1 26 ALA MB 1.800 . 7.800 4.115 3.462 4.455 . 0 0 "[ . 1 . 2]" 1
105 1 23 VAL H 1 23 VAL QG 1.800 . 6.500 2.251 1.683 2.744 0.117 17 0 "[ . 1 . 2]" 1
106 1 23 VAL QG 1 24 ILE H 1.800 . 8.700 2.486 1.640 3.665 0.160 9 0 "[ . 1 . 2]" 1
107 1 23 VAL QG 1 66 ILE MD 1.800 . 6.700 1.954 1.570 3.405 0.230 2 0 "[ . 1 . 2]" 1
108 1 23 VAL QG 1 94 ILE HG13 1.800 . 8.700 3.277 1.715 4.777 0.085 3 0 "[ . 1 . 2]" 1
109 1 23 VAL QG 1 94 ILE MG 1.800 . 7.900 2.095 1.528 3.165 0.272 17 0 "[ . 1 . 2]" 1
110 1 23 VAL QG 1 92 ILE HB 1.800 . 8.700 4.150 2.565 4.984 . 0 0 "[ . 1 . 2]" 1
111 1 23 VAL H 1 24 ILE H 1.800 . 5.000 3.608 2.688 4.708 . 0 0 "[ . 1 . 2]" 1
112 1 23 VAL H 1 92 ILE HB 1.800 . 5.000 5.014 4.315 5.146 0.146 17 0 "[ . 1 . 2]" 1
113 1 23 VAL H 1 93 ARG HA 1.800 . 5.000 4.579 3.799 5.007 0.007 8 0 "[ . 1 . 2]" 1
114 1 24 ILE HA 1 24 ILE MD 1.800 . 6.400 3.904 3.305 4.139 . 0 0 "[ . 1 . 2]" 1
115 1 24 ILE HA 1 24 ILE MG 1.800 . 4.600 2.313 2.039 2.680 . 0 0 "[ . 1 . 2]" 1
116 1 24 ILE HA 1 25 ASP H 1.800 . 3.500 3.402 3.021 3.544 0.044 1 0 "[ . 1 . 2]" 1
117 1 24 ILE HB 1 24 ILE MD 1.800 . 3.800 2.334 1.897 3.192 . 0 0 "[ . 1 . 2]" 1
118 1 24 ILE H 1 24 ILE HB 1.800 . 4.000 3.746 3.515 3.969 . 0 0 "[ . 1 . 2]" 1
119 1 24 ILE HB 1 25 ASP H 1.800 . 5.000 4.026 3.459 4.555 . 0 0 "[ . 1 . 2]" 1
120 1 24 ILE H 1 24 ILE MD 1.800 . 6.400 3.666 1.746 4.851 0.054 3 0 "[ . 1 . 2]" 1
121 1 24 ILE MD 1 25 ASP H 1.800 . 6.400 3.560 1.793 4.984 0.007 5 0 "[ . 1 . 2]" 1
122 1 24 ILE MD 1 89 ALA MB 1.800 . 5.800 2.947 1.766 3.925 0.034 4 0 "[ . 1 . 2]" 1
123 1 24 ILE MD 1 90 HIS HA 1.800 . 4.600 2.390 1.738 3.365 0.062 19 0 "[ . 1 . 2]" 1
124 1 24 ILE MD 1 24 ILE MG 1.800 . 4.800 2.280 1.471 3.222 0.329 12 0 "[ . 1 . 2]" 1
125 1 24 ILE HG13 1 24 ILE MG 1.800 . 3.800 2.963 2.486 3.190 . 0 0 "[ . 1 . 2]" 1
126 1 24 ILE HG12 1 24 ILE MG 1.800 . 3.800 2.309 1.927 3.191 . 0 0 "[ . 1 . 2]" 1
127 1 24 ILE H 1 24 ILE MG 1.800 . 6.400 2.576 1.750 3.428 0.050 3 0 "[ . 1 . 2]" 1
128 1 24 ILE MG 1 89 ALA MB 1.800 . 7.500 1.587 1.537 1.717 0.263 17 0 "[ . 1 . 2]" 1
129 1 24 ILE H 1 25 ASP H 1.800 . 2.900 2.404 1.810 2.956 0.056 2 0 "[ . 1 . 2]" 1
130 1 25 ASP H 1 25 ASP HA 1.800 . 3.000 2.936 2.894 2.996 . 0 0 "[ . 1 . 2]" 1
131 1 25 ASP HA 1 26 ALA H 1.800 . 3.500 3.458 3.404 3.538 0.038 17 0 "[ . 1 . 2]" 1
132 1 25 ASP H 1 25 ASP HB3 1.800 . 3.500 3.205 2.999 3.421 . 0 0 "[ . 1 . 2]" 1
133 1 25 ASP HB3 1 26 ALA H 1.800 . 3.500 3.321 2.791 3.519 0.019 5 0 "[ . 1 . 2]" 1
134 1 25 ASP H 1 25 ASP HB2 1.800 . 3.500 2.133 1.952 2.785 . 0 0 "[ . 1 . 2]" 1
135 1 25 ASP HB2 1 26 ALA H 1.800 . 3.500 3.392 2.987 3.509 0.009 14 0 "[ . 1 . 2]" 1
136 1 23 VAL QG 1 25 ASP H 1.800 . 8.700 4.081 3.171 4.984 . 0 0 "[ . 1 . 2]" 1
137 1 24 ILE QG 1 25 ASP H 1.800 . 6.000 2.410 1.797 3.397 0.003 16 0 "[ . 1 . 2]" 1
138 1 25 ASP H 1 26 ALA MB 1.800 . 5.000 3.864 3.449 4.077 . 0 0 "[ . 1 . 2]" 1
139 1 25 ASP H 1 26 ALA H 1.800 . 2.900 2.282 1.784 2.510 0.016 4 0 "[ . 1 . 2]" 1
140 1 26 ALA HA 1 27 ALA H 1.800 . 3.500 3.418 3.302 3.513 0.013 8 0 "[ . 1 . 2]" 1
141 1 26 ALA H 1 26 ALA MB 1.800 . 3.800 2.156 2.038 2.319 . 0 0 "[ . 1 . 2]" 1
142 1 26 ALA MB 1 34 VAL MG1 1.800 . 8.000 2.194 1.662 2.959 0.138 8 0 "[ . 1 . 2]" 1
143 1 26 ALA MB 1 34 VAL MG2 1.800 . 8.000 3.148 2.330 4.204 . 0 0 "[ . 1 . 2]" 1
144 1 26 ALA MB 1 94 ILE MD 1.800 . 4.800 2.569 2.045 3.148 . 0 0 "[ . 1 . 2]" 1
145 1 26 ALA MB 1 94 ILE HG13 1.800 . 6.400 3.875 2.942 4.548 . 0 0 "[ . 1 . 2]" 1
146 1 26 ALA MB 1 94 ILE HG12 1.800 . 6.400 3.969 3.240 5.029 . 0 0 "[ . 1 . 2]" 1
147 1 27 ALA HA 1 66 ILE MD 1.800 . 4.600 3.201 2.712 3.685 . 0 0 "[ . 1 . 2]" 1
148 1 27 ALA H 1 27 ALA HA 1.800 . 2.900 2.886 2.801 2.937 0.037 16 0 "[ . 1 . 2]" 1
149 1 27 ALA HA 1 28 THR H 1.800 . 2.900 2.436 2.217 2.913 0.013 19 0 "[ . 1 . 2]" 1
150 1 24 ILE HA 1 27 ALA MB 1.800 . 6.400 2.552 1.916 3.212 . 0 0 "[ . 1 . 2]" 1
151 1 27 ALA H 1 27 ALA MB 1.800 . 3.900 2.033 1.908 2.175 . 0 0 "[ . 1 . 2]" 1
152 1 27 ALA MB 1 66 ILE MD 1.800 . 5.800 2.223 1.604 3.550 0.196 14 0 "[ . 1 . 2]" 1
153 1 27 ALA MB 1 66 ILE MG 1.800 . 7.800 3.348 1.943 4.136 . 0 0 "[ . 1 . 2]" 1
154 1 27 ALA MB 1 68 ASP HB3 1.800 . 5.800 3.591 2.091 4.696 . 0 0 "[ . 1 . 2]" 1
155 1 27 ALA MB 1 68 ASP HB2 1.800 . 5.800 2.976 1.825 4.216 . 0 0 "[ . 1 . 2]" 1
156 1 27 ALA MB 1 68 ASP H 1.800 . 6.400 2.680 1.841 3.270 . 0 0 "[ . 1 . 2]" 1
157 1 27 ALA MB 1 73 ILE MD 1.800 . 4.800 3.123 2.982 3.293 . 0 0 "[ . 1 . 2]" 1
158 1 27 ALA MB 1 73 ILE QG 1.800 . 7.800 3.350 2.202 4.249 . 0 0 "[ . 1 . 2]" 1
159 1 28 THR HA 1 28 THR MG 1.800 . 4.600 2.677 1.900 3.193 . 0 0 "[ . 1 . 2]" 1
160 1 28 THR H 1 28 THR HA 1.800 . 2.900 2.749 2.357 2.983 0.083 1 0 "[ . 1 . 2]" 1
161 1 28 THR HA 1 29 SER H 1.800 . 3.500 2.561 2.232 3.542 0.042 19 0 "[ . 1 . 2]" 1
162 1 28 THR HA 1 30 MET H 1.800 . 5.000 4.319 3.255 4.993 . 0 0 "[ . 1 . 2]" 1
163 1 28 THR HA 1 32 ARG H 1.800 . 6.000 5.965 5.518 6.091 0.091 1 0 "[ . 1 . 2]" 1
164 1 28 THR HA 1 68 ASP QB 1.800 . 6.400 3.666 2.831 4.502 . 0 0 "[ . 1 . 2]" 1
165 1 28 THR H 1 28 THR HB 1.800 . 3.500 3.042 2.239 3.565 0.065 11 0 "[ . 1 . 2]" 1
166 1 28 THR HB 1 29 SER H 1.800 . 5.000 3.660 2.197 4.550 . 0 0 "[ . 1 . 2]" 1
167 1 28 THR H 1 28 THR MG 1.800 . 4.600 3.359 1.959 3.921 . 0 0 "[ . 1 . 2]" 1
168 1 28 THR MG 1 29 SER H 1.800 . 4.600 2.594 1.786 3.470 0.014 11 0 "[ . 1 . 2]" 1
169 1 28 THR MG 1 30 MET H 1.800 . 6.400 3.899 1.968 5.216 . 0 0 "[ . 1 . 2]" 1
170 1 28 THR H 1 66 ILE MD 1.800 . 7.600 4.999 3.587 5.713 . 0 0 "[ . 1 . 2]" 1
171 1 28 THR H 1 68 ASP H 1.800 . 5.000 3.734 2.178 5.012 0.012 13 0 "[ . 1 . 2]" 1
172 1 29 SER H 1 30 MET H 1.800 . 3.500 3.183 2.699 3.556 0.056 12 0 "[ . 1 . 2]" 1
173 1 30 MET HA 1 30 MET QG 1.800 . 6.400 2.395 1.909 3.318 . 0 0 "[ . 1 . 2]" 1
174 1 30 MET H 1 30 MET HA 1.800 . 2.900 2.779 2.364 2.982 0.082 15 0 "[ . 1 . 2]" 1
175 1 30 MET HA 1 31 PRO HD3 1.800 . 3.700 2.447 2.179 3.195 . 0 0 "[ . 1 . 2]" 1
176 1 30 MET HA 1 31 PRO HD2 1.800 . 3.700 2.468 1.961 2.668 . 0 0 "[ . 1 . 2]" 1
177 1 30 MET H 1 30 MET QG 1.800 . 6.300 2.994 1.910 4.057 . 0 0 "[ . 1 . 2]" 1
178 1 30 MET QG 1 31 PRO QD 1.800 . 8.900 3.221 1.911 3.969 . 0 0 "[ . 1 . 2]" 1
179 1 30 MET H 1 67 VAL QG 1.800 . 8.700 5.924 4.987 6.426 . 0 0 "[ . 1 . 2]" 1
180 1 31 PRO QB 1 32 ARG H 1.800 . 4.600 3.594 1.843 4.007 . 0 0 "[ . 1 . 2]" 1
181 1 32 ARG QB 1 33 LYS H 1.800 . 5.000 3.018 1.813 3.844 . 0 0 "[ . 1 . 2]" 1
182 1 32 ARG HA 1 32 ARG QG 1.800 . 4.600 2.480 1.924 3.352 . 0 0 "[ . 1 . 2]" 1
183 1 32 ARG H 1 32 ARG HG3 1.800 . 5.000 3.939 1.978 4.810 . 0 0 "[ . 1 . 2]" 1
184 1 32 ARG H 1 32 ARG HG2 1.800 . 5.000 3.735 2.617 4.893 . 0 0 "[ . 1 . 2]" 1
185 1 32 ARG H 1 66 ILE H 1.800 . 5.000 4.876 4.525 5.032 0.032 11 0 "[ . 1 . 2]" 1
186 1 32 ARG H 1 67 VAL HA 1.800 . 5.000 4.650 3.851 5.033 0.033 12 0 "[ . 1 . 2]" 1
187 1 32 ARG H 1 67 VAL QG 1.800 . 8.700 4.228 3.139 5.367 . 0 0 "[ . 1 . 2]" 1
188 1 33 LYS HA 1 97 LEU QD 1.800 . 8.700 5.156 3.679 6.117 . 0 0 "[ . 1 . 2]" 1
189 1 33 LYS HA 1 33 LYS QD 1.800 . 6.000 3.634 2.172 4.157 . 0 0 "[ . 1 . 2]" 1
190 1 33 LYS HA 1 33 LYS QG 1.800 . 6.400 2.296 1.926 3.304 . 0 0 "[ . 1 . 2]" 1
191 1 33 LYS H 1 33 LYS HA 1.800 . 2.900 2.899 2.738 2.970 0.070 4 0 "[ . 1 . 2]" 1
192 1 33 LYS HA 1 34 VAL H 1.800 . 2.900 2.299 2.199 2.688 . 0 0 "[ . 1 . 2]" 1
193 1 33 LYS HA 1 65 GLU HA 1.800 . 3.500 3.238 2.960 3.546 0.046 10 0 "[ . 1 . 2]" 1
194 1 33 LYS HA 1 66 ILE H 1.800 . 5.000 4.340 3.601 4.765 . 0 0 "[ . 1 . 2]" 1
195 1 33 LYS QB 1 33 LYS QD 1.800 . 6.000 2.063 1.923 2.246 . 0 0 "[ . 1 . 2]" 1
196 1 33 LYS QB 1 34 VAL H 1.800 . 6.300 3.757 3.135 4.046 . 0 0 "[ . 1 . 2]" 1
197 1 33 LYS H 1 33 LYS HB3 1.800 . 3.500 3.055 2.353 3.524 0.024 5 0 "[ . 1 . 2]" 1
198 1 33 LYS H 1 33 LYS HB2 1.800 . 3.500 2.555 1.942 3.520 0.020 6 0 "[ . 1 . 2]" 1
199 1 33 LYS QD 1 33 LYS QE 1.800 . 4.900 2.076 2.045 2.112 . 0 0 "[ . 1 . 2]" 1
200 1 33 LYS QE 1 33 LYS HG3 1.800 . 6.400 2.612 1.969 3.440 . 0 0 "[ . 1 . 2]" 1
201 1 33 LYS QE 1 33 LYS HG2 1.800 . 6.400 2.515 1.939 3.218 . 0 0 "[ . 1 . 2]" 1
202 1 33 LYS QD 1 33 LYS QG 1.800 . 5.000 2.069 2.044 2.103 . 0 0 "[ . 1 . 2]" 1
203 1 33 LYS QG 1 34 VAL H 1.800 . 7.400 3.650 1.945 4.501 . 0 0 "[ . 1 . 2]" 1
204 1 33 LYS H 1 34 VAL H 1.800 . 5.000 4.137 2.551 4.639 . 0 0 "[ . 1 . 2]" 1
205 1 34 VAL H 1 34 VAL HA 1.800 . 3.000 2.985 2.962 3.002 0.002 1 0 "[ . 1 . 2]" 1
206 1 34 VAL HA 1 35 ARG H 1.800 . 2.900 2.813 2.671 2.946 0.046 12 0 "[ . 1 . 2]" 1
207 1 34 VAL H 1 34 VAL HB 1.800 . 4.000 3.627 3.232 3.913 . 0 0 "[ . 1 . 2]" 1
208 1 34 VAL HB 1 35 ARG H 1.800 . 3.000 2.013 1.820 2.293 . 0 0 "[ . 1 . 2]" 1
209 1 34 VAL HB 1 94 ILE HB 1.800 . 5.000 4.264 3.485 5.001 0.001 5 0 "[ . 1 . 2]" 1
210 1 34 VAL HB 1 94 ILE MD 1.800 . 4.600 2.751 1.819 3.865 . 0 0 "[ . 1 . 2]" 1
211 1 34 VAL MG1 1 94 ILE MD 1.800 . 4.800 3.064 2.771 3.251 . 0 0 "[ . 1 . 2]" 1
212 1 34 VAL MG1 1 34 VAL MG2 1.800 . 4.800 1.984 1.879 2.040 . 0 0 "[ . 1 . 2]" 1
213 1 34 VAL H 1 34 VAL MG1 1.800 . 4.600 3.104 2.285 3.789 . 0 0 "[ . 1 . 2]" 1
214 1 34 VAL MG1 1 35 ARG H 1.800 . 4.600 3.276 2.496 3.758 . 0 0 "[ . 1 . 2]" 1
215 1 34 VAL MG2 1 66 ILE QG 1.800 . 9.100 2.053 1.612 4.458 0.188 11 0 "[ . 1 . 2]" 1
216 1 34 VAL MG2 1 94 ILE HB 1.800 . 6.400 4.587 3.741 5.344 . 0 0 "[ . 1 . 2]" 1
217 1 34 VAL MG2 1 94 ILE HG13 1.800 . 6.400 4.327 3.404 5.021 . 0 0 "[ . 1 . 2]" 1
218 1 34 VAL H 1 34 VAL MG2 1.800 . 4.600 2.047 1.666 2.425 0.134 16 0 "[ . 1 . 2]" 1
219 1 34 VAL MG2 1 35 ARG H 1.800 . 4.600 3.095 2.302 3.857 . 0 0 "[ . 1 . 2]" 1
220 1 34 VAL H 1 64 VAL H 1.800 . 5.000 4.485 4.120 4.948 . 0 0 "[ . 1 . 2]" 1
221 1 34 VAL H 1 65 GLU HA 1.800 . 5.000 1.845 1.755 2.119 0.045 3 0 "[ . 1 . 2]" 1
222 1 35 ARG HA 1 35 ARG QD 1.800 . 6.300 4.059 3.542 4.368 . 0 0 "[ . 1 . 2]" 1
223 1 35 ARG HA 1 35 ARG QG 1.800 . 6.400 2.812 2.607 3.376 . 0 0 "[ . 1 . 2]" 1
224 1 35 ARG H 1 35 ARG HA 1.800 . 2.900 2.890 2.867 2.932 0.032 13 0 "[ . 1 . 2]" 1
225 1 35 ARG HA 1 36 ILE H 1.800 . 3.500 2.312 2.216 2.478 . 0 0 "[ . 1 . 2]" 1
226 1 35 ARG HA 1 64 VAL H 1.800 . 3.500 2.170 1.721 2.541 0.079 17 0 "[ . 1 . 2]" 1
227 1 35 ARG QB 1 36 ILE H 1.800 . 4.600 3.430 2.532 3.767 . 0 0 "[ . 1 . 2]" 1
228 1 35 ARG H 1 35 ARG HB3 1.800 . 3.700 2.966 2.752 3.458 . 0 0 "[ . 1 . 2]" 1
229 1 35 ARG QB 1 37 VAL MG1 1.800 . 7.800 4.069 3.722 4.886 . 0 0 "[ . 1 . 2]" 1
230 1 35 ARG HB3 1 65 GLU HA 1.800 . 6.300 6.124 5.177 6.398 0.098 13 0 "[ . 1 . 2]" 1
231 1 35 ARG HB3 1 97 LEU QD 1.800 . 8.700 3.259 2.040 4.328 . 0 0 "[ . 1 . 2]" 1
232 1 35 ARG H 1 35 ARG HB2 1.800 . 3.700 3.726 3.611 3.962 0.262 18 0 "[ . 1 . 2]" 1
233 1 35 ARG HB2 1 65 GLU HA 1.800 . 6.300 5.902 5.672 6.459 0.159 10 0 "[ . 1 . 2]" 1
234 1 35 ARG HB2 1 97 LEU QD 1.800 . 8.700 3.470 2.358 5.549 . 0 0 "[ . 1 . 2]" 1
235 1 35 ARG QG 1 37 VAL MG1 1.800 . 7.800 3.004 2.440 4.000 . 0 0 "[ . 1 . 2]" 1
236 1 35 ARG H 1 35 ARG QG 1.800 . 4.600 3.683 2.335 4.150 . 0 0 "[ . 1 . 2]" 1
237 1 35 ARG QG 1 36 ILE H 1.800 . 5.600 2.607 1.932 3.941 . 0 0 "[ . 1 . 2]" 1
238 1 35 ARG QG 1 65 GLU QB 1.800 . 8.800 6.991 6.886 7.086 . 0 0 "[ . 1 . 2]" 1
239 1 35 ARG H 1 95 GLU QB 1.800 . 6.300 4.508 3.925 5.219 . 0 0 "[ . 1 . 2]" 1
240 1 35 ARG H 1 95 GLU H 1.800 . 3.500 2.797 2.340 3.470 . 0 0 "[ . 1 . 2]" 1
241 1 35 ARG H 1 97 LEU H 1.800 . 5.000 4.340 3.290 4.996 . 0 0 "[ . 1 . 2]" 1
242 1 36 ILE HA 1 36 ILE MD 1.800 . 6.400 3.571 2.063 3.907 . 0 0 "[ . 1 . 2]" 1
243 1 36 ILE HA 1 36 ILE QG 1.800 . 4.600 2.711 2.507 3.355 . 0 0 "[ . 1 . 2]" 1
244 1 36 ILE HA 1 36 ILE MG 1.800 . 4.600 2.103 1.953 2.211 . 0 0 "[ . 1 . 2]" 1
245 1 36 ILE HA 1 37 VAL H 1.800 . 2.900 2.341 2.227 2.516 . 0 0 "[ . 1 . 2]" 1
246 1 36 ILE HA 1 94 ILE HA 1.800 . 2.900 1.937 1.755 2.532 0.045 17 0 "[ . 1 . 2]" 1
247 1 36 ILE HA 1 94 ILE MG 1.800 . 4.600 2.276 1.891 2.735 . 0 0 "[ . 1 . 2]" 1
248 1 36 ILE HB 1 36 ILE MD 1.800 . 6.400 2.586 2.353 3.194 . 0 0 "[ . 1 . 2]" 1
249 1 36 ILE HB 1 60 VAL HA 1.800 . 5.000 2.209 1.727 2.855 0.073 17 0 "[ . 1 . 2]" 1
250 1 36 ILE HB 1 60 VAL HB 1.800 . 2.800 2.176 1.841 2.804 0.004 17 0 "[ . 1 . 2]" 1
251 1 36 ILE HB 1 61 GLY H 1.800 . 3.500 3.109 2.361 3.627 0.127 12 0 "[ . 1 . 2]" 1
252 1 36 ILE HB 1 62 SER H 1.800 . 3.500 2.523 1.788 3.496 0.012 13 0 "[ . 1 . 2]" 1
253 1 36 ILE MD 1 94 ILE MG 1.800 . 5.800 2.238 1.560 2.826 0.240 13 0 "[ . 1 . 2]" 1
254 1 36 ILE H 1 36 ILE HG13 1.800 . 3.500 2.095 1.838 3.357 . 0 0 "[ . 1 . 2]" 1
255 1 36 ILE H 1 36 ILE HG12 1.800 . 3.500 2.478 1.745 3.335 0.055 15 0 "[ . 1 . 2]" 1
256 1 36 ILE QG 1 60 VAL HB 1.800 . 4.500 4.004 3.277 4.122 . 0 0 "[ . 1 . 2]" 1
257 1 36 ILE MG 1 37 VAL H 1.800 . 4.600 2.217 1.755 2.593 0.045 5 0 "[ . 1 . 2]" 1
258 1 36 ILE MG 1 60 VAL HA 1.800 . 4.600 1.911 1.661 3.427 0.139 12 0 "[ . 1 . 2]" 1
259 1 36 ILE MD 1 36 ILE MG 1.800 . 4.800 1.795 1.698 2.242 0.102 9 0 "[ . 1 . 2]" 1
260 1 36 ILE MG 1 94 ILE MD 1.800 . 6.000 3.990 3.907 4.104 . 0 0 "[ . 1 . 2]" 1
261 1 36 ILE MG 1 94 ILE MG 1.800 . 5.800 1.560 1.477 1.639 0.323 12 0 "[ . 1 . 2]" 1
262 1 36 ILE H 1 36 ILE MG 1.800 . 4.600 3.727 3.619 3.787 . 0 0 "[ . 1 . 2]" 1
263 1 36 ILE MG 1 38 GLN H 1.800 . 4.600 2.634 2.062 2.900 . 0 0 "[ . 1 . 2]" 1
264 1 36 ILE MG 1 60 VAL MG1 1.800 . 5.800 2.979 2.101 3.308 . 0 0 "[ . 1 . 2]" 1
265 1 36 ILE MG 1 60 VAL H 1.800 . 4.700 3.678 3.608 3.988 . 0 0 "[ . 1 . 2]" 1
266 1 36 ILE MG 1 61 GLY H 1.800 . 4.600 3.400 2.935 3.812 . 0 0 "[ . 1 . 2]" 1
267 1 36 ILE MG 1 62 SER H 1.800 . 6.400 4.075 3.437 4.878 . 0 0 "[ . 1 . 2]" 1
268 1 36 ILE MG 1 94 ILE HA 1.800 . 7.600 3.022 2.718 3.584 . 0 0 "[ . 1 . 2]" 1
269 1 36 ILE H 1 62 SER H 1.800 . 5.000 3.152 2.308 4.222 . 0 0 "[ . 1 . 2]" 1
270 1 36 ILE H 1 63 GLU HA 1.800 . 5.000 4.226 3.588 4.544 . 0 0 "[ . 1 . 2]" 1
271 1 36 ILE H 1 92 ILE QG 1.800 . 6.300 5.677 5.469 5.761 . 0 0 "[ . 1 . 2]" 1
272 1 37 VAL HA 1 38 GLN H 1.800 . 3.500 3.408 3.151 3.543 0.043 14 0 "[ . 1 . 2]" 1
273 1 37 VAL HA 1 37 VAL MG1 1.800 . 4.600 2.328 2.145 2.494 . 0 0 "[ . 1 . 2]" 1
274 1 37 VAL HB 1 38 GLN H 1.800 . 5.000 4.091 3.631 4.449 . 0 0 "[ . 1 . 2]" 1
275 1 37 VAL MG1 1 38 GLN H 1.800 . 6.400 3.985 3.636 4.272 . 0 0 "[ . 1 . 2]" 1
276 1 37 VAL MG1 1 95 GLU H 1.800 . 6.400 3.410 2.853 4.067 . 0 0 "[ . 1 . 2]" 1
277 1 37 VAL MG2 1 94 ILE HA 1.800 . 4.600 2.580 2.031 3.590 . 0 0 "[ . 1 . 2]" 1
278 1 37 VAL H 1 37 VAL MG2 1.800 . 4.600 2.110 1.837 2.311 . 0 0 "[ . 1 . 2]" 1
279 1 37 VAL MG1 1 37 VAL MG2 1.800 . 4.800 1.997 1.891 2.079 . 0 0 "[ . 1 . 2]" 1
280 1 37 VAL MG2 1 38 GLN H 1.800 . 4.600 2.337 1.820 3.065 . 0 0 "[ . 1 . 2]" 1
281 1 37 VAL H 1 38 GLN H 1.800 . 2.900 1.868 1.791 2.103 0.009 7 0 "[ . 1 . 2]" 1
282 1 37 VAL H 1 94 ILE HA 1.800 . 3.500 2.519 2.054 2.904 . 0 0 "[ . 1 . 2]" 1
283 1 37 VAL H 1 95 GLU H 1.800 . 5.000 4.685 4.213 5.021 0.021 17 0 "[ . 1 . 2]" 1
284 1 38 GLN HA 1 39 ILE H 1.800 . 2.900 2.217 2.201 2.320 . 0 0 "[ . 1 . 2]" 1
285 1 38 GLN HA 1 40 ASN H 1.800 . 3.500 3.511 3.429 3.637 0.137 5 0 "[ . 1 . 2]" 1
286 1 38 GLN QB 1 39 ILE H 1.800 . 6.300 3.640 3.144 3.993 . 0 0 "[ . 1 . 2]" 1
287 1 38 GLN HG3 1 39 ILE H 1.800 . 5.000 4.064 3.251 5.005 0.005 15 0 "[ . 1 . 2]" 1
288 1 38 GLN HG2 1 39 ILE H 1.800 . 5.000 3.931 2.851 4.781 . 0 0 "[ . 1 . 2]" 1
289 1 38 GLN H 1 93 ARG H 1.800 . 3.500 3.454 3.248 3.540 0.040 8 0 "[ . 1 . 2]" 1
290 1 39 ILE HA 1 92 ILE HA 1.800 . 3.500 2.239 1.802 2.650 . 0 0 "[ . 1 . 2]" 1
291 1 39 ILE HA 1 39 ILE MD 1.800 . 7.600 3.407 2.385 3.879 . 0 0 "[ . 1 . 2]" 1
292 1 39 ILE HA 1 39 ILE MG 1.800 . 4.600 3.059 2.208 3.198 . 0 0 "[ . 1 . 2]" 1
293 1 39 ILE HB 1 39 ILE MD 1.800 . 4.600 2.221 1.906 3.177 . 0 0 "[ . 1 . 2]" 1
294 1 39 ILE H 1 39 ILE HB 1.800 . 3.500 2.719 2.084 3.050 . 0 0 "[ . 1 . 2]" 1
295 1 39 ILE HB 1 40 ASN H 1.800 . 5.000 4.150 3.194 4.529 . 0 0 "[ . 1 . 2]" 1
296 1 39 ILE H 1 39 ILE MD 1.800 . 6.400 4.226 2.509 4.568 . 0 0 "[ . 1 . 2]" 1
297 1 39 ILE MD 1 40 ASN H 1.800 . 6.400 5.134 4.146 5.363 . 0 0 "[ . 1 . 2]" 1
298 1 39 ILE MD 1 59 ARG HA 1.800 . 4.600 2.870 2.102 3.758 . 0 0 "[ . 1 . 2]" 1
299 1 39 ILE QG 1 92 ILE H 1.800 . 6.400 4.592 3.311 5.478 . 0 0 "[ . 1 . 2]" 1
300 1 39 ILE HG13 1 39 ILE MG 1.800 . 4.600 3.051 2.499 3.195 . 0 0 "[ . 1 . 2]" 1
301 1 39 ILE H 1 39 ILE HG13 1.800 . 5.000 4.160 1.850 4.660 . 0 0 "[ . 1 . 2]" 1
302 1 39 ILE H 1 39 ILE HG12 1.800 . 5.000 4.272 3.392 4.578 . 0 0 "[ . 1 . 2]" 1
303 1 39 ILE HG12 1 39 ILE MG 1.800 . 6.400 2.222 1.893 3.183 . 0 0 "[ . 1 . 2]" 1
304 1 39 ILE H 1 40 ASN H 1.800 . 3.000 2.323 1.944 2.780 . 0 0 "[ . 1 . 2]" 1
305 1 40 ASN H 1 40 ASN QB 1.800 . 3.800 2.529 1.936 3.290 . 0 0 "[ . 1 . 2]" 1
306 1 40 ASN QB 1 41 GLU H 1.800 . 4.600 3.072 1.819 4.051 . 0 0 "[ . 1 . 2]" 1
307 1 40 ASN H 1 41 GLU H 1.800 . 5.000 4.289 2.677 4.710 . 0 0 "[ . 1 . 2]" 1
308 1 41 GLU HA 1 41 GLU QG 1.800 . 6.300 2.524 1.991 3.306 . 0 0 "[ . 1 . 2]" 1
309 1 41 GLU HA 1 42 ILE H 1.800 . 2.900 2.479 2.203 2.835 . 0 0 "[ . 1 . 2]" 1
310 1 41 GLU HA 1 43 PHE H 1.800 . 3.500 3.334 3.067 3.548 0.048 2 0 "[ . 1 . 2]" 1
311 1 41 GLU H 1 41 GLU QB 1.800 . 3.800 2.864 2.178 3.369 . 0 0 "[ . 1 . 2]" 1
312 1 41 GLU QB 1 42 ILE H 1.800 . 6.400 3.783 2.136 4.073 . 0 0 "[ . 1 . 2]" 1
313 1 41 GLU H 1 41 GLU QG 1.800 . 4.600 3.399 2.042 4.158 . 0 0 "[ . 1 . 2]" 1
314 1 41 GLU QG 1 42 ILE H 1.800 . 7.600 3.791 2.898 4.497 . 0 0 "[ . 1 . 2]" 1
315 1 41 GLU H 1 42 ILE H 1.800 . 5.000 3.431 2.180 4.411 . 0 0 "[ . 1 . 2]" 1
316 1 41 GLU H 1 43 PHE H 1.800 . 5.000 4.810 3.851 5.016 0.016 18 0 "[ . 1 . 2]" 1
317 1 42 ILE HA 1 42 ILE HB 1.800 . 3.000 2.804 2.397 3.033 0.033 2 0 "[ . 1 . 2]" 1
318 1 42 ILE HA 1 42 ILE MD 1.800 . 4.600 3.232 1.896 3.906 . 0 0 "[ . 1 . 2]" 1
319 1 42 ILE HA 1 42 ILE MG 1.800 . 4.600 2.305 2.148 2.472 . 0 0 "[ . 1 . 2]" 1
320 1 42 ILE HB 1 42 ILE MD 1.800 . 4.600 2.406 1.890 3.194 . 0 0 "[ . 1 . 2]" 1
321 1 42 ILE H 1 42 ILE HB 1.800 . 3.500 3.010 2.392 3.564 0.064 6 0 "[ . 1 . 2]" 1
322 1 42 ILE HB 1 43 PHE H 1.800 . 5.000 3.874 2.473 4.523 . 0 0 "[ . 1 . 2]" 1
323 1 42 ILE MD 1 43 PHE H 1.800 . 6.400 4.339 2.778 5.350 . 0 0 "[ . 1 . 2]" 1
324 1 42 ILE H 1 42 ILE HG13 1.800 . 3.500 2.483 1.832 3.539 0.039 17 0 "[ . 1 . 2]" 1
325 1 42 ILE H 1 42 ILE HG12 1.800 . 3.500 2.739 1.942 3.512 0.012 9 0 "[ . 1 . 2]" 1
326 1 42 ILE H 1 42 ILE MG 1.800 . 4.600 3.133 1.906 3.881 . 0 0 "[ . 1 . 2]" 1
327 1 43 PHE H 1 43 PHE HA 1.800 . 2.900 2.814 2.404 2.989 0.089 4 0 "[ . 1 . 2]" 1
328 1 43 PHE HA 1 44 GLN H 1.800 . 3.500 2.644 2.213 3.572 0.072 9 0 "[ . 1 . 2]" 1
329 1 43 PHE QB 1 44 GLN H 1.800 . 4.600 3.048 1.798 4.012 0.002 7 0 "[ . 1 . 2]" 1
330 1 43 PHE H 1 43 PHE HB3 1.800 . 3.500 3.107 2.177 3.615 0.115 2 0 "[ . 1 . 2]" 1
331 1 43 PHE H 1 43 PHE HB2 1.800 . 3.500 2.515 1.960 3.573 0.073 2 0 "[ . 1 . 2]" 1
332 1 43 PHE H 1 43 PHE QD 1.800 . 6.700 3.200 1.858 4.515 . 0 0 "[ . 1 . 2]" 1
333 1 44 GLN HA 1 44 GLN QG 1.800 . 4.600 2.220 1.916 3.297 . 0 0 "[ . 1 . 2]" 1
334 1 44 GLN HA 1 45 VAL H 1.800 . 3.500 2.947 2.327 3.573 0.073 8 0 "[ . 1 . 2]" 1
335 1 44 GLN QB 1 45 VAL H 1.800 . 3.800 2.448 1.880 3.260 . 0 0 "[ . 1 . 2]" 1
336 1 44 GLN H 1 44 GLN HB3 1.800 . 3.500 3.291 2.349 3.538 0.038 17 0 "[ . 1 . 2]" 1
337 1 44 GLN H 1 44 GLN HB2 1.800 . 3.500 2.457 1.974 3.524 0.024 5 0 "[ . 1 . 2]" 1
338 1 44 GLN H 1 44 GLN QG 1.800 . 4.600 3.393 2.044 4.168 . 0 0 "[ . 1 . 2]" 1
339 1 44 GLN QG 1 45 VAL H 1.800 . 6.300 3.447 1.768 4.521 0.032 16 0 "[ . 1 . 2]" 1
340 1 44 GLN H 1 45 VAL H 1.800 . 5.000 3.763 1.801 4.707 . 0 0 "[ . 1 . 2]" 1
341 1 45 VAL HA 1 45 VAL QG 1.800 . 6.500 2.187 1.997 2.460 . 0 0 "[ . 1 . 2]" 1
342 1 45 VAL HA 1 46 GLU H 1.800 . 3.500 3.112 2.337 3.527 0.027 17 0 "[ . 1 . 2]" 1
343 1 45 VAL H 1 45 VAL HB 1.800 . 3.700 3.129 2.339 3.736 0.036 17 0 "[ . 1 . 2]" 1
344 1 44 GLN QB 1 45 VAL QG 1.800 . 6.700 3.386 2.083 4.305 . 0 0 "[ . 1 . 2]" 1
345 1 44 GLN QG 1 45 VAL QG 1.800 . 7.800 4.040 2.520 4.977 . 0 0 "[ . 1 . 2]" 1
346 1 45 VAL H 1 45 VAL QG 1.800 . 6.500 2.347 1.816 3.063 . 0 0 "[ . 1 . 2]" 1
347 1 45 VAL QG 1 46 GLU H 1.800 . 8.700 3.029 1.606 3.719 0.194 8 0 "[ . 1 . 2]" 1
348 1 45 VAL QG 1 47 THR H 1.800 . 10.100 4.734 2.217 5.516 . 0 0 "[ . 1 . 2]" 1
349 1 45 VAL H 1 46 GLU H 1.800 . 3.500 2.612 1.823 3.514 0.014 18 0 "[ . 1 . 2]" 1
350 1 46 GLU HA 1 46 GLU QG 1.800 . 4.600 2.235 1.906 3.294 . 0 0 "[ . 1 . 2]" 1
351 1 46 GLU HA 1 47 THR H 1.800 . 3.500 2.703 2.218 3.578 0.078 7 0 "[ . 1 . 2]" 1
352 1 46 GLU QB 1 47 THR H 1.800 . 4.600 3.005 1.912 3.907 . 0 0 "[ . 1 . 2]" 1
353 1 46 GLU H 1 46 GLU HB3 1.800 . 3.500 3.196 2.319 3.545 0.045 7 0 "[ . 1 . 2]" 1
354 1 46 GLU H 1 46 GLU HB2 1.800 . 3.500 2.430 2.022 3.524 0.024 5 0 "[ . 1 . 2]" 1
355 1 46 GLU H 1 46 GLU QG 1.800 . 4.600 3.555 2.125 4.168 . 0 0 "[ . 1 . 2]" 1
356 1 46 GLU QG 1 47 THR H 1.800 . 6.300 3.363 2.056 4.633 . 0 0 "[ . 1 . 2]" 1
357 1 46 GLU H 1 47 THR H 1.800 . 5.000 3.921 1.914 4.706 . 0 0 "[ . 1 . 2]" 1
358 1 47 THR HA 1 48 ASP H 1.800 . 3.500 3.087 2.222 3.573 0.073 8 0 "[ . 1 . 2]" 1
359 1 47 THR H 1 47 THR MG 1.800 . 6.400 3.320 2.203 4.044 . 0 0 "[ . 1 . 2]" 1
360 1 47 THR MG 1 48 ASP QB 1.800 . 7.800 4.688 3.489 5.604 . 0 0 "[ . 1 . 2]" 1
361 1 47 THR MG 1 50 PHE QD 1.800 . 7.500 2.943 1.750 4.012 0.050 11 0 "[ . 1 . 2]" 1
362 1 47 THR MG 1 50 PHE QE 1.800 . 6.500 3.505 1.865 5.038 . 0 0 "[ . 1 . 2]" 1
363 1 48 ASP HA 1 49 GLN H 1.800 . 3.500 3.189 2.714 3.572 0.072 18 0 "[ . 1 . 2]" 1
364 1 48 ASP HA 1 51 THR H 1.800 . 5.000 4.293 3.244 5.014 0.014 10 0 "[ . 1 . 2]" 1
365 1 48 ASP H 1 48 ASP QB 1.800 . 3.800 2.739 1.922 3.439 . 0 0 "[ . 1 . 2]" 1
366 1 48 ASP QB 1 49 GLN H 1.800 . 4.600 2.236 1.829 3.153 . 0 0 "[ . 1 . 2]" 1
367 1 48 ASP H 1 49 GLN H 1.800 . 5.000 3.968 2.490 4.681 . 0 0 "[ . 1 . 2]" 1
368 1 49 GLN HA 1 49 GLN QG 1.800 . 4.600 2.316 1.943 3.299 . 0 0 "[ . 1 . 2]" 1
369 1 49 GLN HA 1 50 PHE H 1.800 . 3.500 3.494 3.381 3.551 0.051 13 0 "[ . 1 . 2]" 1
370 1 49 GLN HA 1 52 GLN QB 1.800 . 4.600 3.639 2.753 4.186 . 0 0 "[ . 1 . 2]" 1
371 1 49 GLN QB 1 50 PHE H 1.800 . 4.600 2.952 2.568 3.539 . 0 0 "[ . 1 . 2]" 1
372 1 49 GLN H 1 49 GLN HB3 1.800 . 3.500 2.970 2.194 3.515 0.015 9 0 "[ . 1 . 2]" 1
373 1 49 GLN H 1 49 GLN HB2 1.800 . 3.500 2.317 1.947 3.528 0.028 14 0 "[ . 1 . 2]" 1
374 1 49 GLN H 1 49 GLN QG 1.800 . 4.600 3.248 1.927 3.990 . 0 0 "[ . 1 . 2]" 1
375 1 49 GLN QG 1 50 PHE H 1.800 . 6.300 4.053 1.838 4.626 . 0 0 "[ . 1 . 2]" 1
376 1 49 GLN H 1 50 PHE H 1.800 . 3.500 2.733 2.476 3.032 . 0 0 "[ . 1 . 2]" 1
377 1 50 PHE HA 1 50 PHE QD 1.800 . 5.700 3.189 2.309 3.540 . 0 0 "[ . 1 . 2]" 1
378 1 50 PHE HA 1 53 LEU H 1.800 . 3.500 3.445 3.211 3.550 0.050 2 0 "[ . 1 . 2]" 1
379 1 50 PHE HA 1 54 LEU H 1.800 . 5.000 4.698 4.305 5.049 0.049 1 0 "[ . 1 . 2]" 1
380 1 47 THR H 1 50 PHE QB 1.800 . 6.400 4.711 3.241 5.313 . 0 0 "[ . 1 . 2]" 1
381 1 50 PHE H 1 50 PHE HB3 1.800 . 3.500 2.041 1.941 2.227 . 0 0 "[ . 1 . 2]" 1
382 1 50 PHE HB3 1 51 THR H 1.800 . 5.000 2.968 2.371 3.533 . 0 0 "[ . 1 . 2]" 1
383 1 50 PHE H 1 50 PHE HB2 1.800 . 3.500 3.042 2.724 3.346 . 0 0 "[ . 1 . 2]" 1
384 1 50 PHE HB2 1 51 THR H 1.800 . 5.000 4.131 3.777 4.428 . 0 0 "[ . 1 . 2]" 1
385 1 50 PHE H 1 50 PHE QD 1.800 . 5.900 3.542 2.864 4.118 . 0 0 "[ . 1 . 2]" 1
386 1 50 PHE QD 1 51 THR MG 1.800 . 5.500 2.723 2.310 3.654 . 0 0 "[ . 1 . 2]" 1
387 1 50 PHE QD 1 53 LEU QB 1.800 . 8.800 4.314 2.958 5.535 . 0 0 "[ . 1 . 2]" 1
388 1 50 PHE QD 1 53 LEU MD1 1.800 . 5.500 2.395 1.829 3.266 . 0 0 "[ . 1 . 2]" 1
389 1 50 PHE QD 1 53 LEU MD2 1.800 . 6.500 3.507 1.935 4.553 . 0 0 "[ . 1 . 2]" 1
390 1 50 PHE QD 1 53 LEU HG 1.800 . 5.700 4.084 2.736 4.894 . 0 0 "[ . 1 . 2]" 1
391 1 50 PHE QD 1 54 LEU QD 1.800 . 8.000 3.836 3.132 4.718 . 0 0 "[ . 1 . 2]" 1
392 1 50 PHE QE 1 51 THR MG 1.800 . 5.500 2.807 1.974 3.916 . 0 0 "[ . 1 . 2]" 1
393 1 50 PHE QE 1 53 LEU MD1 1.800 . 5.500 3.319 2.468 3.827 . 0 0 "[ . 1 . 2]" 1
394 1 50 PHE QE 1 54 LEU QD 1.800 . 6.900 2.346 1.784 3.139 0.016 20 0 "[ . 1 . 2]" 1
395 1 51 THR HA 1 51 THR MG 1.800 . 4.600 2.083 1.940 2.209 . 0 0 "[ . 1 . 2]" 1
396 1 51 THR HA 1 52 GLN H 1.800 . 3.500 3.499 3.450 3.526 0.026 5 0 "[ . 1 . 2]" 1
397 1 51 THR HA 1 54 LEU HB3 1.800 . 3.500 2.513 1.842 3.324 . 0 0 "[ . 1 . 2]" 1
398 1 51 THR HA 1 54 LEU HB2 1.800 . 3.500 3.164 2.322 3.503 0.003 6 0 "[ . 1 . 2]" 1
399 1 51 THR H 1 51 THR HB 1.800 . 3.500 3.445 3.254 3.528 0.028 4 0 "[ . 1 . 2]" 1
400 1 51 THR HB 1 52 GLN H 1.800 . 3.500 3.488 3.368 3.526 0.026 20 0 "[ . 1 . 2]" 1
401 1 51 THR H 1 51 THR MG 1.800 . 6.400 2.719 2.426 3.143 . 0 0 "[ . 1 . 2]" 1
402 1 51 THR MG 1 52 GLN H 1.800 . 6.400 4.234 4.120 4.349 . 0 0 "[ . 1 . 2]" 1
403 1 51 THR H 1 52 GLN H 1.800 . 3.500 2.828 2.655 2.957 . 0 0 "[ . 1 . 2]" 1
404 1 52 GLN HA 1 52 GLN HG3 1.800 . 3.500 2.612 2.142 3.482 . 0 0 "[ . 1 . 2]" 1
405 1 52 GLN HA 1 52 GLN HG2 1.800 . 3.500 2.869 2.079 3.566 0.066 20 0 "[ . 1 . 2]" 1
406 1 52 GLN HA 1 53 LEU H 1.800 . 3.500 3.562 3.484 3.585 0.085 2 0 "[ . 1 . 2]" 1
407 1 52 GLN HA 1 55 ASP HB3 1.800 . 3.500 3.147 2.513 3.510 0.010 17 0 "[ . 1 . 2]" 1
408 1 52 GLN HA 1 55 ASP HB2 1.800 . 3.500 3.423 3.027 3.504 0.004 15 0 "[ . 1 . 2]" 1
409 1 52 GLN HA 1 55 ASP H 1.800 . 3.500 3.502 3.342 3.530 0.030 16 0 "[ . 1 . 2]" 1
410 1 52 GLN QB 1 52 GLN QG 1.800 . 4.900 2.081 2.016 2.108 . 0 0 "[ . 1 . 2]" 1
411 1 52 GLN QB 1 53 LEU H 1.800 . 4.600 2.257 1.916 2.858 . 0 0 "[ . 1 . 2]" 1
412 1 52 GLN QB 1 82 VAL QG 1.800 . 8.700 4.718 3.211 5.310 . 0 0 "[ . 1 . 2]" 1
413 1 52 GLN HE21 1 82 VAL QG 1.800 . 10.100 5.652 3.504 7.169 . 0 0 "[ . 1 . 2]" 1
414 1 52 GLN H 1 52 GLN HG3 1.800 . 5.000 4.257 3.754 4.496 . 0 0 "[ . 1 . 2]" 1
415 1 52 GLN H 1 52 GLN HG2 1.800 . 5.000 4.362 3.443 4.547 . 0 0 "[ . 1 . 2]" 1
416 1 52 GLN H 1 53 LEU H 1.800 . 3.500 2.803 2.650 2.998 . 0 0 "[ . 1 . 2]" 1
417 1 53 LEU HA 1 53 LEU MD1 1.800 . 6.400 3.644 3.368 3.931 . 0 0 "[ . 1 . 2]" 1
418 1 53 LEU HA 1 53 LEU MD2 1.800 . 6.400 3.545 2.067 4.109 . 0 0 "[ . 1 . 2]" 1
419 1 53 LEU HA 1 54 LEU H 1.800 . 3.500 3.475 3.383 3.562 0.062 13 0 "[ . 1 . 2]" 1
420 1 53 LEU HA 1 55 ASP H 1.800 . 5.000 4.304 4.155 4.465 . 0 0 "[ . 1 . 2]" 1
421 1 53 LEU HA 1 56 ALA MB 1.800 . 4.600 2.961 2.587 3.184 . 0 0 "[ . 1 . 2]" 1
422 1 53 LEU HA 1 82 VAL QG 1.800 . 8.700 3.109 2.547 3.750 . 0 0 "[ . 1 . 2]" 1
423 1 53 LEU QB 1 56 ALA MB 1.800 . 5.800 4.166 3.999 4.255 . 0 0 "[ . 1 . 2]" 1
424 1 53 LEU QB 1 53 LEU MD1 1.800 . 4.900 2.047 1.878 2.155 . 0 0 "[ . 1 . 2]" 1
425 1 53 LEU QB 1 53 LEU MD2 1.800 . 4.900 2.005 1.861 2.274 . 0 0 "[ . 1 . 2]" 1
426 1 53 LEU QB 1 54 LEU H 1.800 . 4.600 3.175 2.307 3.755 . 0 0 "[ . 1 . 2]" 1
427 1 53 LEU H 1 53 LEU HB3 1.800 . 3.500 2.890 2.294 3.557 0.057 5 0 "[ . 1 . 2]" 1
428 1 53 LEU HB2 1 82 VAL QG 1.800 . 10.100 3.358 1.876 5.148 . 0 0 "[ . 1 . 2]" 1
429 1 53 LEU H 1 53 LEU HB2 1.800 . 3.500 3.129 2.402 3.539 0.039 2 0 "[ . 1 . 2]" 1
430 1 53 LEU H 1 53 LEU QD 1.800 . 6.500 2.663 2.114 2.904 . 0 0 "[ . 1 . 2]" 1
431 1 53 LEU MD2 1 84 LEU H 1.800 . 5.000 4.104 3.952 4.239 . 0 0 "[ . 1 . 2]" 1
432 1 53 LEU H 1 53 LEU HG 1.800 . 3.500 1.947 1.770 2.320 0.030 5 0 "[ . 1 . 2]" 1
433 1 53 LEU HG 1 82 VAL QG 1.800 . 10.100 4.087 3.552 5.010 . 0 0 "[ . 1 . 2]" 1
434 1 54 LEU HA 1 54 LEU QD 1.800 . 6.500 2.515 1.823 3.023 . 0 0 "[ . 1 . 2]" 1
435 1 54 LEU HA 1 55 ASP H 1.800 . 3.500 3.527 3.510 3.551 0.051 11 0 "[ . 1 . 2]" 1
436 1 54 LEU HA 1 57 ASP H 1.800 . 5.000 4.450 3.814 5.003 0.003 2 0 "[ . 1 . 2]" 1
437 1 54 LEU HA 1 58 ILE H 1.800 . 5.000 3.863 3.150 4.741 . 0 0 "[ . 1 . 2]" 1
438 1 54 LEU H 1 54 LEU QB 1.800 . 4.600 2.140 1.993 2.240 . 0 0 "[ . 1 . 2]" 1
439 1 54 LEU QB 1 55 ASP H 1.800 . 4.600 2.695 2.576 2.796 . 0 0 "[ . 1 . 2]" 1
440 1 54 LEU HB3 1 54 LEU QD 1.800 . 8.700 2.114 1.889 2.359 . 0 0 "[ . 1 . 2]" 1
441 1 54 LEU HB3 1 54 LEU HG 1.800 . 2.900 2.682 2.388 2.906 0.006 18 0 "[ . 1 . 2]" 1
442 1 54 LEU HB2 1 54 LEU QD 1.800 . 8.700 2.011 1.865 2.356 . 0 0 "[ . 1 . 2]" 1
443 1 54 LEU HB2 1 54 LEU HG 1.800 . 2.900 2.755 2.392 2.952 0.052 7 0 "[ . 1 . 2]" 1
444 1 54 LEU H 1 54 LEU QD 1.800 . 6.500 3.518 3.072 3.693 . 0 0 "[ . 1 . 2]" 1
445 1 54 LEU H 1 54 LEU HG 1.800 . 5.000 4.386 4.262 4.635 . 0 0 "[ . 1 . 2]" 1
446 1 54 LEU HG 1 55 ASP H 1.800 . 5.000 4.417 3.803 5.009 0.009 1 0 "[ . 1 . 2]" 1
447 1 54 LEU H 1 55 ASP H 1.800 . 3.500 2.416 2.170 2.647 . 0 0 "[ . 1 . 2]" 1
448 1 55 ASP QB 1 56 ALA H 1.800 . 4.600 3.165 2.944 3.424 . 0 0 "[ . 1 . 2]" 1
449 1 55 ASP H 1 56 ALA H 1.800 . 3.500 2.616 2.509 2.698 . 0 0 "[ . 1 . 2]" 1
450 1 55 ASP H 1 57 ASP H 1.800 . 5.000 4.527 4.344 4.785 . 0 0 "[ . 1 . 2]" 1
451 1 56 ALA H 1 56 ALA MB 1.800 . 3.800 2.099 1.958 2.272 . 0 0 "[ . 1 . 2]" 1
452 1 56 ALA MB 1 57 ASP H 1.800 . 4.600 3.459 3.338 3.607 . 0 0 "[ . 1 . 2]" 1
453 1 56 ALA MB 1 58 ILE HB 1.800 . 6.400 3.106 2.424 4.126 . 0 0 "[ . 1 . 2]" 1
454 1 56 ALA MB 1 58 ILE MD 1.800 . 4.800 2.795 1.887 3.166 . 0 0 "[ . 1 . 2]" 1
455 1 56 ALA MB 1 82 VAL QG 1.800 . 6.700 3.610 2.745 4.077 . 0 0 "[ . 1 . 2]" 1
456 1 56 ALA MB 1 58 ILE H 1.800 . 6.400 3.732 2.671 4.593 . 0 0 "[ . 1 . 2]" 1
457 1 56 ALA H 1 58 ILE H 1.800 . 5.000 4.198 3.485 4.840 . 0 0 "[ . 1 . 2]" 1
458 1 56 ALA H 1 57 ASP H 1.800 . 3.500 2.737 2.438 3.013 . 0 0 "[ . 1 . 2]" 1
459 1 57 ASP HA 1 58 ILE H 1.800 . 3.500 2.652 2.377 2.998 . 0 0 "[ . 1 . 2]" 1
460 1 57 ASP H 1 58 ILE H 1.800 . 3.500 3.153 2.816 3.513 0.013 12 0 "[ . 1 . 2]" 1
461 1 58 ILE HA 1 58 ILE MD 1.800 . 6.400 3.315 1.823 3.938 . 0 0 "[ . 1 . 2]" 1
462 1 58 ILE HA 1 58 ILE MG 1.800 . 4.000 2.838 2.299 3.193 . 0 0 "[ . 1 . 2]" 1
463 1 58 ILE HA 1 59 ARG H 1.800 . 3.500 2.810 2.291 3.561 0.061 2 0 "[ . 1 . 2]" 1
464 1 58 ILE HB 1 58 ILE MD 1.800 . 3.800 2.438 1.972 3.196 . 0 0 "[ . 1 . 2]" 1
465 1 58 ILE H 1 58 ILE HB 1.800 . 3.500 2.652 2.292 3.179 . 0 0 "[ . 1 . 2]" 1
466 1 53 LEU HA 1 58 ILE MD 1.800 . 6.400 4.797 2.929 5.317 . 0 0 "[ . 1 . 2]" 1
467 1 58 ILE H 1 58 ILE MD 1.800 . 6.400 4.209 3.716 4.547 . 0 0 "[ . 1 . 2]" 1
468 1 58 ILE MD 1 59 ARG H 1.800 . 4.700 3.664 3.095 4.005 . 0 0 "[ . 1 . 2]" 1
469 1 58 ILE MD 1 77 HIS HB3 1.800 . 6.400 4.963 3.470 5.359 . 0 0 "[ . 1 . 2]" 1
470 1 58 ILE MD 1 77 HIS HB2 1.800 . 6.400 4.920 2.494 5.364 . 0 0 "[ . 1 . 2]" 1
471 1 58 ILE H 1 58 ILE QG 1.800 . 4.600 3.518 2.429 4.148 . 0 0 "[ . 1 . 2]" 1
472 1 53 LEU MD2 1 58 ILE MG 1.800 . 8.000 4.919 4.057 5.548 . 0 0 "[ . 1 . 2]" 1
473 1 58 ILE MG 1 59 ARG H 1.800 . 4.600 2.565 1.739 3.784 0.061 2 0 "[ . 1 . 2]" 1
474 1 58 ILE MD 1 58 ILE MG 1.800 . 4.800 1.993 1.562 2.671 0.238 9 0 "[ . 1 . 2]" 1
475 1 58 ILE HG13 1 58 ILE MG 1.800 . 4.800 3.014 2.341 3.190 . 0 0 "[ . 1 . 2]" 1
476 1 58 ILE H 1 59 ARG H 1.800 . 5.000 3.919 2.099 4.629 . 0 0 "[ . 1 . 2]" 1
477 1 59 ARG HA 1 59 ARG QG 1.800 . 4.600 2.461 1.965 3.314 . 0 0 "[ . 1 . 2]" 1
478 1 59 ARG HA 1 60 VAL H 1.800 . 3.500 2.345 2.230 3.171 . 0 0 "[ . 1 . 2]" 1
479 1 59 ARG QB 1 60 VAL H 1.800 . 4.600 3.407 1.860 3.937 . 0 0 "[ . 1 . 2]" 1
480 1 59 ARG HB3 1 59 ARG QD 1.800 . 4.600 2.448 1.915 3.137 . 0 0 "[ . 1 . 2]" 1
481 1 59 ARG HB2 1 59 ARG QD 1.800 . 4.600 2.533 2.064 3.212 . 0 0 "[ . 1 . 2]" 1
482 1 59 ARG QG 1 60 VAL H 1.800 . 4.600 3.248 2.097 4.220 . 0 0 "[ . 1 . 2]" 1
483 1 59 ARG H 1 62 SER QB 1.800 . 6.300 5.447 3.936 5.677 . 0 0 "[ . 1 . 2]" 1
484 1 59 ARG H 1 62 SER H 1.800 . 6.000 5.727 4.785 6.098 0.098 15 0 "[ . 1 . 2]" 1
485 1 60 VAL HA 1 60 VAL MG1 1.800 . 3.800 2.616 2.274 3.198 . 0 0 "[ . 1 . 2]" 1
486 1 60 VAL HA 1 60 VAL MG2 1.800 . 3.800 3.099 2.404 3.198 . 0 0 "[ . 1 . 2]" 1
487 1 60 VAL HA 1 61 GLY H 1.800 . 3.500 2.547 2.207 3.523 0.023 5 0 "[ . 1 . 2]" 1
488 1 60 VAL HA 1 62 SER H 1.800 . 3.700 3.589 3.184 3.923 0.223 19 0 "[ . 1 . 2]" 1
489 1 60 VAL H 1 60 VAL HB 1.800 . 3.700 3.700 2.923 3.886 0.186 15 0 "[ . 1 . 2]" 1
490 1 38 GLN HA 1 60 VAL MG1 1.800 . 4.600 2.797 1.904 3.769 . 0 0 "[ . 1 . 2]" 1
491 1 38 GLN H 1 60 VAL MG1 1.800 . 6.400 3.324 2.540 4.577 . 0 0 "[ . 1 . 2]" 1
492 1 60 VAL H 1 60 VAL MG1 1.800 . 4.600 2.193 1.781 2.964 0.019 18 0 "[ . 1 . 2]" 1
493 1 38 GLN HA 1 60 VAL MG2 1.800 . 6.400 4.328 1.766 5.068 0.034 5 0 "[ . 1 . 2]" 1
494 1 60 VAL MG2 1 61 GLY H 1.800 . 4.700 3.482 1.692 3.923 0.108 17 0 "[ . 1 . 2]" 1
495 1 60 VAL H 1 61 GLY H 1.800 . 5.000 3.472 2.387 4.650 . 0 0 "[ . 1 . 2]" 1
496 1 61 GLY QA 1 77 HIS HD2 1.800 . 6.200 3.708 2.692 5.606 . 0 0 "[ . 1 . 2]" 1
497 1 61 GLY HA3 1 62 SER H 1.800 . 3.500 3.272 2.944 3.551 0.051 5 0 "[ . 1 . 2]" 1
498 1 61 GLY HA2 1 62 SER H 1.800 . 3.500 3.280 2.696 3.517 0.017 15 0 "[ . 1 . 2]" 1
499 1 61 GLY H 1 62 SER H 1.800 . 3.500 2.963 2.335 3.548 0.048 5 0 "[ . 1 . 2]" 1
500 1 62 SER HA 1 63 GLU H 1.800 . 3.000 2.955 2.464 3.047 0.047 16 0 "[ . 1 . 2]" 1
501 1 62 SER QB 1 77 HIS HD2 1.800 . 6.500 5.411 2.748 5.775 . 0 0 "[ . 1 . 2]" 1
502 1 36 ILE MD 1 62 SER HB3 1.800 . 7.600 5.974 5.051 6.295 . 0 0 "[ . 1 . 2]" 1
503 1 62 SER HB3 1 63 GLU H 1.800 . 5.000 2.442 2.177 3.304 . 0 0 "[ . 1 . 2]" 1
504 1 62 SER HB3 1 64 VAL MG1 1.800 . 6.400 2.969 2.596 3.636 . 0 0 "[ . 1 . 2]" 1
505 1 36 ILE MD 1 62 SER HB2 1.800 . 7.600 5.920 5.560 6.167 . 0 0 "[ . 1 . 2]" 1
506 1 62 SER HB2 1 63 GLU H 1.800 . 5.000 3.482 3.336 4.059 . 0 0 "[ . 1 . 2]" 1
507 1 62 SER HB2 1 64 VAL MG1 1.800 . 6.400 4.209 3.953 4.699 . 0 0 "[ . 1 . 2]" 1
508 1 62 SER H 1 63 GLU H 1.800 . 5.000 4.644 4.414 4.695 . 0 0 "[ . 1 . 2]" 1
509 1 63 GLU HA 1 64 VAL MG2 1.800 . 7.600 3.945 3.527 5.375 . 0 0 "[ . 1 . 2]" 1
510 1 63 GLU HA 1 64 VAL H 1.800 . 3.000 2.263 2.227 2.304 . 0 0 "[ . 1 . 2]" 1
511 1 63 GLU QB 1 64 VAL H 1.800 . 6.300 3.802 3.458 4.031 . 0 0 "[ . 1 . 2]" 1
512 1 63 GLU H 1 63 GLU HB3 1.800 . 3.500 2.916 2.309 3.548 0.048 10 0 "[ . 1 . 2]" 1
513 1 63 GLU H 1 63 GLU HB2 1.800 . 3.500 2.434 1.957 3.560 0.060 2 0 "[ . 1 . 2]" 1
514 1 63 GLU H 1 63 GLU HG3 1.800 . 5.000 3.748 2.333 4.675 . 0 0 "[ . 1 . 2]" 1
515 1 63 GLU H 1 63 GLU HG2 1.800 . 5.000 3.778 1.851 4.477 . 0 0 "[ . 1 . 2]" 1
516 1 63 GLU H 1 64 VAL MG1 1.800 . 6.400 3.398 3.216 3.790 . 0 0 "[ . 1 . 2]" 1
517 1 64 VAL HA 1 64 VAL MG1 1.800 . 4.600 2.453 2.307 3.135 . 0 0 "[ . 1 . 2]" 1
518 1 64 VAL HA 1 64 VAL MG2 1.800 . 4.600 3.140 2.631 3.198 . 0 0 "[ . 1 . 2]" 1
519 1 64 VAL HA 1 65 GLU H 1.800 . 3.000 2.955 2.207 3.130 0.130 2 0 "[ . 1 . 2]" 1
520 1 64 VAL HA 1 77 HIS HD2 1.800 . 5.200 4.383 4.093 4.848 . 0 0 "[ . 1 . 2]" 1
521 1 64 VAL HB 1 65 GLU H 1.800 . 3.500 2.105 1.795 3.605 0.105 12 0 "[ . 1 . 2]" 1
522 1 64 VAL HB 1 76 SER H 1.800 . 5.000 3.835 3.509 4.259 . 0 0 "[ . 1 . 2]" 1
523 1 64 VAL H 1 64 VAL MG1 1.800 . 6.400 2.840 2.118 3.062 . 0 0 "[ . 1 . 2]" 1
524 1 64 VAL MG1 1 65 GLU H 1.800 . 6.400 3.634 3.492 4.410 . 0 0 "[ . 1 . 2]" 1
525 1 64 VAL MG1 1 76 SER H 1.800 . 6.400 5.100 4.652 5.241 . 0 0 "[ . 1 . 2]" 1
526 1 64 VAL MG1 1 77 HIS HA 1.800 . 6.400 2.047 1.792 3.805 0.008 19 0 "[ . 1 . 2]" 1
527 1 64 VAL MG1 1 77 HIS HB3 1.800 . 6.400 2.000 1.700 3.032 0.100 4 0 "[ . 1 . 2]" 1
528 1 64 VAL MG1 1 77 HIS HB2 1.800 . 6.400 3.348 3.055 4.495 . 0 0 "[ . 1 . 2]" 1
529 1 64 VAL MG1 1 77 HIS HD2 1.800 . 6.600 2.130 1.722 3.167 0.078 5 0 "[ . 1 . 2]" 1
530 1 64 VAL MG1 1 77 HIS H 1.800 . 6.400 4.123 3.895 5.120 . 0 0 "[ . 1 . 2]" 1
531 1 35 ARG HA 1 64 VAL MG2 1.800 . 7.600 2.236 1.788 4.007 0.012 20 0 "[ . 1 . 2]" 1
532 1 36 ILE HG13 1 64 VAL MG2 1.800 . 6.400 3.022 2.420 4.449 . 0 0 "[ . 1 . 2]" 1
533 1 36 ILE HG12 1 64 VAL MG2 1.800 . 6.400 3.473 2.491 4.420 . 0 0 "[ . 1 . 2]" 1
534 1 64 VAL MG2 1 77 HIS HD2 1.800 . 6.600 2.362 1.908 3.486 . 0 0 "[ . 1 . 2]" 1
535 1 64 VAL H 1 65 GLU H 1.800 . 6.000 4.072 3.954 4.379 . 0 0 "[ . 1 . 2]" 1
536 1 65 GLU HA 1 66 ILE H 1.800 . 3.000 2.412 2.239 2.496 . 0 0 "[ . 1 . 2]" 1
537 1 65 GLU QB 1 66 ILE H 1.800 . 4.600 2.937 2.580 3.501 . 0 0 "[ . 1 . 2]" 1
538 1 65 GLU QB 1 76 SER HB3 1.800 . 7.600 4.091 2.191 5.802 . 0 0 "[ . 1 . 2]" 1
539 1 65 GLU QB 1 76 SER HB2 1.800 . 7.600 4.438 3.420 5.651 . 0 0 "[ . 1 . 2]" 1
540 1 65 GLU QB 1 76 SER H 1.800 . 6.300 4.198 3.477 4.627 . 0 0 "[ . 1 . 2]" 1
541 1 65 GLU QG 1 66 ILE H 1.800 . 6.300 3.092 1.898 3.937 . 0 0 "[ . 1 . 2]" 1
542 1 65 GLU H 1 76 SER HB2 1.800 . 6.000 4.464 3.274 5.461 . 0 0 "[ . 1 . 2]" 1
543 1 65 GLU H 1 76 SER H 1.800 . 3.500 2.842 2.381 3.057 . 0 0 "[ . 1 . 2]" 1
544 1 66 ILE HA 1 66 ILE MD 1.800 . 6.400 3.992 3.520 4.108 . 0 0 "[ . 1 . 2]" 1
545 1 66 ILE HA 1 66 ILE MG 1.800 . 4.600 2.131 1.934 3.119 . 0 0 "[ . 1 . 2]" 1
546 1 66 ILE HA 1 67 VAL H 1.800 . 2.900 2.414 2.251 2.561 . 0 0 "[ . 1 . 2]" 1
547 1 66 ILE HA 1 75 LEU HA 1.800 . 2.900 2.011 1.852 2.351 . 0 0 "[ . 1 . 2]" 1
548 1 66 ILE HA 1 75 LEU MD2 1.800 . 4.600 3.514 2.873 3.833 . 0 0 "[ . 1 . 2]" 1
549 1 66 ILE HB 1 66 ILE MD 1.800 . 4.600 2.410 2.222 3.157 . 0 0 "[ . 1 . 2]" 1
550 1 66 ILE H 1 66 ILE HB 1.800 . 3.500 3.396 2.865 3.536 0.036 9 0 "[ . 1 . 2]" 1
551 1 66 ILE HB 1 67 VAL H 1.800 . 3.500 2.910 2.403 3.558 0.058 14 0 "[ . 1 . 2]" 1
552 1 66 ILE MD 1 66 ILE MG 1.800 . 4.800 1.931 1.623 2.159 0.177 3 0 "[ . 1 . 2]" 1
553 1 66 ILE H 1 66 ILE MD 1.800 . 6.400 3.528 2.968 3.748 . 0 0 "[ . 1 . 2]" 1
554 1 66 ILE MD 1 67 VAL H 1.800 . 7.600 4.508 2.965 5.094 . 0 0 "[ . 1 . 2]" 1
555 1 66 ILE MD 1 73 ILE MG 1.800 . 5.000 3.098 1.945 3.357 . 0 0 "[ . 1 . 2]" 1
556 1 66 ILE MD 1 75 LEU QB 1.800 . 7.800 5.225 3.850 5.518 . 0 0 "[ . 1 . 2]" 1
557 1 66 ILE MD 1 75 LEU HG 1.800 . 5.000 3.990 3.174 4.199 . 0 0 "[ . 1 . 2]" 1
558 1 23 VAL QG 1 66 ILE QG 1.800 . 7.900 3.135 2.710 3.839 . 0 0 "[ . 1 . 2]" 1
559 1 66 ILE H 1 66 ILE QG 1.800 . 4.600 2.072 1.772 4.062 0.028 9 0 "[ . 1 . 2]" 1
560 1 66 ILE QG 1 67 VAL H 1.800 . 6.300 4.025 1.825 4.574 . 0 0 "[ . 1 . 2]" 1
561 1 24 ILE MG 1 66 ILE MG 1.800 . 6.000 3.789 3.621 3.937 . 0 0 "[ . 1 . 2]" 1
562 1 64 VAL MG2 1 66 ILE MG 1.800 . 6.000 3.787 3.143 4.115 . 0 0 "[ . 1 . 2]" 1
563 1 66 ILE H 1 66 ILE MG 1.800 . 5.500 3.349 1.893 3.839 . 0 0 "[ . 1 . 2]" 1
564 1 66 ILE MG 1 67 VAL H 1.800 . 6.400 3.107 2.267 4.053 . 0 0 "[ . 1 . 2]" 1
565 1 66 ILE MG 1 73 ILE MG 1.800 . 6.000 2.408 1.626 3.659 0.174 12 0 "[ . 1 . 2]" 1
566 1 66 ILE MG 1 74 THR H 1.800 . 6.400 4.306 2.563 5.375 . 0 0 "[ . 1 . 2]" 1
567 1 66 ILE MG 1 75 LEU HA 1.800 . 4.600 2.308 1.855 3.417 . 0 0 "[ . 1 . 2]" 1
568 1 66 ILE MG 1 75 LEU QB 1.800 . 8.000 3.156 2.821 4.063 . 0 0 "[ . 1 . 2]" 1
569 1 66 ILE MG 1 75 LEU HG 1.800 . 6.400 1.803 1.692 2.441 0.108 15 0 "[ . 1 . 2]" 1
570 1 67 VAL HA 1 67 VAL QG 1.800 . 5.500 2.117 2.019 2.401 . 0 0 "[ . 1 . 2]" 1
571 1 67 VAL HA 1 68 ASP H 1.800 . 2.900 2.363 2.224 2.933 0.033 19 0 "[ . 1 . 2]" 1
572 1 67 VAL HB 1 67 VAL QG 1.800 . 5.500 1.901 1.884 1.917 . 0 0 "[ . 1 . 2]" 1
573 1 31 PRO QB 1 67 VAL QG 1.800 . 7.800 2.908 1.714 5.076 0.086 4 0 "[ . 1 . 2]" 1
574 1 67 VAL QG 1 69 ARG QB 1.800 . 10.200 4.109 3.386 5.578 . 0 0 "[ . 1 . 2]" 1
575 1 67 VAL QG 1 68 ASP H 1.800 . 8.700 3.226 1.930 3.751 . 0 0 "[ . 1 . 2]" 1
576 1 67 VAL QG 1 69 ARG QD 1.800 . 10.200 4.468 2.261 6.446 . 0 0 "[ . 1 . 2]" 1
577 1 67 VAL QG 1 69 ARG QG 1.800 . 10.200 3.584 2.451 6.058 . 0 0 "[ . 1 . 2]" 1
578 1 67 VAL QG 1 74 THR MG 1.800 . 7.600 3.797 2.817 4.623 . 0 0 "[ . 1 . 2]" 1
579 1 67 VAL H 1 74 THR H 1.800 . 3.500 2.916 2.245 3.506 0.006 18 0 "[ . 1 . 2]" 1
580 1 67 VAL H 1 75 LEU HA 1.800 . 5.000 3.659 3.150 3.933 . 0 0 "[ . 1 . 2]" 1
581 1 69 ARG H 1 69 ARG HA 1.800 . 2.900 2.980 2.953 2.991 0.091 20 0 "[ . 1 . 2]" 1
582 1 69 ARG HA 1 70 ASP H 1.800 . 2.900 2.461 2.243 2.685 . 0 0 "[ . 1 . 2]" 1
583 1 69 ARG HA 1 72 HIS H 1.800 . 6.000 4.516 4.335 4.698 . 0 0 "[ . 1 . 2]" 1
584 1 69 ARG HA 1 69 ARG QD 1.800 . 6.300 3.357 1.936 4.011 . 0 0 "[ . 1 . 2]" 1
585 1 69 ARG HA 1 69 ARG QG 1.800 . 4.600 2.160 1.942 2.635 . 0 0 "[ . 1 . 2]" 1
586 1 69 ARG QB 1 69 ARG QD 1.800 . 5.800 2.074 1.921 2.344 . 0 0 "[ . 1 . 2]" 1
587 1 69 ARG QB 1 70 ASP H 1.800 . 6.300 3.616 2.086 4.031 . 0 0 "[ . 1 . 2]" 1
588 1 69 ARG H 1 69 ARG QG 1.800 . 6.300 3.702 2.545 4.120 . 0 0 "[ . 1 . 2]" 1
589 1 69 ARG QG 1 70 ASP H 1.800 . 7.600 3.616 1.932 4.719 . 0 0 "[ . 1 . 2]" 1
590 1 69 ARG H 1 70 ASP H 1.800 . 5.000 3.988 3.373 4.595 . 0 0 "[ . 1 . 2]" 1
591 1 69 ARG H 1 71 GLY H 1.800 . 5.000 4.295 3.281 5.012 0.012 20 0 "[ . 1 . 2]" 1
592 1 69 ARG H 1 72 HIS H 1.800 . 3.500 3.393 2.938 3.512 0.012 8 0 "[ . 1 . 2]" 1
593 1 69 ARG H 1 73 ILE HB 1.800 . 5.000 4.982 4.730 5.025 0.025 2 0 "[ . 1 . 2]" 1
594 1 70 ASP HA 1 71 GLY H 1.800 . 2.900 2.535 2.256 2.912 0.012 11 0 "[ . 1 . 2]" 1
595 1 70 ASP H 1 72 HIS H 1.800 . 5.000 4.161 3.878 4.679 . 0 0 "[ . 1 . 2]" 1
596 1 71 GLY H 1 71 GLY HA3 1.800 . 2.900 2.918 2.766 2.978 0.078 10 0 "[ . 1 . 2]" 1
597 1 71 GLY HA3 1 72 HIS H 1.800 . 5.000 3.093 2.717 3.507 . 0 0 "[ . 1 . 2]" 1
598 1 71 GLY H 1 71 GLY HA2 1.800 . 2.900 2.421 2.345 2.637 . 0 0 "[ . 1 . 2]" 1
599 1 71 GLY HA2 1 72 HIS H 1.800 . 5.000 3.375 2.980 3.584 . 0 0 "[ . 1 . 2]" 1
600 1 71 GLY H 1 72 HIS H 1.800 . 3.500 2.804 2.424 3.098 . 0 0 "[ . 1 . 2]" 1
601 1 72 HIS H 1 72 HIS HA 1.800 . 2.900 2.958 2.950 2.979 0.079 12 0 "[ . 1 . 2]" 1
602 1 72 HIS HA 1 73 ILE H 1.800 . 2.900 2.416 2.217 2.884 . 0 0 "[ . 1 . 2]" 1
603 1 72 HIS QB 1 73 ILE H 1.800 . 4.600 3.197 1.845 3.974 . 0 0 "[ . 1 . 2]" 1
604 1 72 HIS H 1 72 HIS HB3 1.800 . 3.500 3.231 2.802 3.506 0.006 2 0 "[ . 1 . 2]" 1
605 1 72 HIS H 1 72 HIS HB2 1.800 . 3.500 2.354 2.022 3.098 . 0 0 "[ . 1 . 2]" 1
606 1 72 HIS H 1 72 HIS HD2 1.800 . 6.200 4.911 3.579 5.901 . 0 0 "[ . 1 . 2]" 1
607 1 73 ILE HA 1 73 ILE MD 1.800 . 4.600 3.738 3.635 3.844 . 0 0 "[ . 1 . 2]" 1
608 1 73 ILE HA 1 73 ILE MG 1.800 . 4.600 2.462 2.384 2.570 . 0 0 "[ . 1 . 2]" 1
609 1 73 ILE HA 1 74 THR H 1.800 . 2.900 2.270 2.210 2.385 . 0 0 "[ . 1 . 2]" 1
610 1 73 ILE HB 1 73 ILE MD 1.800 . 4.600 2.297 1.914 2.465 . 0 0 "[ . 1 . 2]" 1
611 1 73 ILE H 1 73 ILE HB 1.800 . 3.500 2.462 2.173 2.767 . 0 0 "[ . 1 . 2]" 1
612 1 73 ILE HB 1 74 THR H 1.800 . 5.000 4.333 3.873 4.580 . 0 0 "[ . 1 . 2]" 1
613 1 23 VAL QG 1 73 ILE MD 1.800 . 8.600 3.721 2.959 4.943 . 0 0 "[ . 1 . 2]" 1
614 1 24 ILE HA 1 73 ILE MD 1.800 . 4.600 2.339 1.723 2.972 0.077 9 0 "[ . 1 . 2]" 1
615 1 73 ILE H 1 73 ILE MD 1.800 . 6.400 3.870 2.450 4.499 . 0 0 "[ . 1 . 2]" 1
616 1 73 ILE MD 1 89 ALA MB 1.800 . 5.800 2.863 2.358 3.777 . 0 0 "[ . 1 . 2]" 1
617 1 73 ILE MD 1 89 ALA H 1.800 . 6.400 5.164 4.940 5.257 . 0 0 "[ . 1 . 2]" 1
618 1 73 ILE H 1 73 ILE HG13 1.800 . 5.000 2.911 1.973 3.491 . 0 0 "[ . 1 . 2]" 1
619 1 73 ILE H 1 73 ILE HG12 1.800 . 5.000 3.973 3.204 4.465 . 0 0 "[ . 1 . 2]" 1
620 1 73 ILE MG 1 84 LEU HG 1.800 . 6.400 4.484 2.890 5.195 . 0 0 "[ . 1 . 2]" 1
621 1 27 ALA MB 1 73 ILE MG 1.800 . 4.800 2.886 2.127 3.276 . 0 0 "[ . 1 . 2]" 1
622 1 73 ILE MG 1 74 THR H 1.800 . 4.600 2.811 2.036 3.526 . 0 0 "[ . 1 . 2]" 1
623 1 23 VAL QG 1 73 ILE MG 1.800 . 6.700 2.971 2.392 3.960 . 0 0 "[ . 1 . 2]" 1
624 1 73 ILE MG 1 84 LEU HB3 1.800 . 6.400 3.373 2.456 4.825 . 0 0 "[ . 1 . 2]" 1
625 1 73 ILE MG 1 84 LEU HB2 1.800 . 6.400 4.255 2.897 5.188 . 0 0 "[ . 1 . 2]" 1
626 1 73 ILE H 1 74 THR H 1.800 . 5.000 4.281 3.761 4.653 . 0 0 "[ . 1 . 2]" 1
627 1 74 THR HA 1 74 THR MG 1.800 . 4.600 2.315 1.980 2.544 . 0 0 "[ . 1 . 2]" 1
628 1 74 THR HA 1 75 LEU H 1.800 . 2.900 2.355 2.265 2.431 . 0 0 "[ . 1 . 2]" 1
629 1 74 THR HA 1 84 LEU H 1.800 . 3.500 3.195 2.199 3.520 0.020 12 0 "[ . 1 . 2]" 1
630 1 67 VAL QG 1 74 THR HB 1.800 . 8.700 3.350 1.765 4.351 0.035 15 0 "[ . 1 . 2]" 1
631 1 74 THR H 1 74 THR HB 1.800 . 3.500 2.545 2.206 2.993 . 0 0 "[ . 1 . 2]" 1
632 1 74 THR H 1 74 THR MG 1.800 . 6.400 3.769 3.652 3.990 . 0 0 "[ . 1 . 2]" 1
633 1 74 THR MG 1 75 LEU H 1.800 . 4.600 2.090 1.839 2.469 . 0 0 "[ . 1 . 2]" 1
634 1 74 THR MG 1 76 SER HA 1.800 . 7.600 4.486 4.087 5.179 . 0 0 "[ . 1 . 2]" 1
635 1 74 THR MG 1 81 ASP HA 1.800 . 6.400 4.466 3.584 5.014 . 0 0 "[ . 1 . 2]" 1
636 1 74 THR MG 1 81 ASP HB3 1.800 . 6.400 4.275 3.553 4.762 . 0 0 "[ . 1 . 2]" 1
637 1 74 THR MG 1 81 ASP HB2 1.800 . 6.400 3.900 2.691 4.887 . 0 0 "[ . 1 . 2]" 1
638 1 74 THR MG 1 82 VAL H 1.800 . 4.600 3.326 2.656 3.679 . 0 0 "[ . 1 . 2]" 1
639 1 74 THR MG 1 83 GLU QB 1.800 . 7.800 4.459 3.234 5.384 . 0 0 "[ . 1 . 2]" 1
640 1 74 THR H 1 75 LEU H 1.800 . 5.000 4.564 4.414 4.676 . 0 0 "[ . 1 . 2]" 1
641 1 75 LEU HA 1 75 LEU MD2 1.800 . 4.600 2.688 2.093 3.460 . 0 0 "[ . 1 . 2]" 1
642 1 75 LEU HA 1 76 SER H 1.800 . 2.900 2.238 2.202 2.351 . 0 0 "[ . 1 . 2]" 1
643 1 75 LEU HB3 1 75 LEU QD 1.800 . 6.500 2.063 1.946 2.138 . 0 0 "[ . 1 . 2]" 1
644 1 75 LEU HB3 1 76 SER H 1.800 . 5.000 3.652 2.816 3.944 . 0 0 "[ . 1 . 2]" 1
645 1 75 LEU HB3 1 77 HIS HD2 1.800 . 5.200 3.839 3.047 5.218 0.018 5 0 "[ . 1 . 2]" 1
646 1 75 LEU HB2 1 75 LEU QD 1.800 . 6.500 2.159 1.928 2.407 . 0 0 "[ . 1 . 2]" 1
647 1 75 LEU HB2 1 76 SER H 1.800 . 5.000 4.383 3.653 4.526 . 0 0 "[ . 1 . 2]" 1
648 1 75 LEU HB2 1 77 HIS HD2 1.800 . 5.200 5.168 4.210 5.248 0.048 5 0 "[ . 1 . 2]" 1
649 1 75 LEU H 1 75 LEU QD 1.800 . 6.500 3.577 1.875 3.843 . 0 0 "[ . 1 . 2]" 1
650 1 75 LEU QD 1 76 SER HA 1.800 . 10.100 3.913 3.397 5.291 . 0 0 "[ . 1 . 2]" 1
651 1 75 LEU QD 1 76 SER H 1.800 . 6.500 2.534 1.871 4.185 . 0 0 "[ . 1 . 2]" 1
652 1 75 LEU QD 1 77 HIS HD2 1.800 . 8.700 2.254 1.696 4.867 0.104 11 0 "[ . 1 . 2]" 1
653 1 64 VAL HB 1 75 LEU MD2 1.800 . 6.400 2.897 2.192 4.942 . 0 0 "[ . 1 . 2]" 1
654 1 64 VAL MG2 1 75 LEU MD2 1.800 . 4.800 1.766 1.581 2.566 0.219 2 0 "[ . 1 . 2]" 1
655 1 64 VAL MG2 1 75 LEU HG 1.800 . 4.600 3.639 3.184 3.913 . 0 0 "[ . 1 . 2]" 1
656 1 75 LEU H 1 75 LEU HG 1.800 . 5.000 4.170 2.699 4.438 . 0 0 "[ . 1 . 2]" 1
657 1 75 LEU HG 1 76 SER H 1.800 . 5.000 3.733 3.099 4.657 . 0 0 "[ . 1 . 2]" 1
658 1 75 LEU H 1 81 ASP HA 1.800 . 6.000 4.851 4.469 5.225 . 0 0 "[ . 1 . 2]" 1
659 1 75 LEU H 1 82 VAL H 1.800 . 3.500 3.127 2.671 3.502 0.002 2 0 "[ . 1 . 2]" 1
660 1 75 LEU H 1 83 GLU HA 1.800 . 5.000 3.903 3.197 4.566 . 0 0 "[ . 1 . 2]" 1
661 1 76 SER HA 1 77 HIS H 1.800 . 2.900 2.214 2.197 2.306 . 0 0 "[ . 1 . 2]" 1
662 1 76 SER HA 1 80 LYS H 1.800 . 5.000 4.843 4.523 5.037 0.037 4 0 "[ . 1 . 2]" 1
663 1 76 SER HA 1 81 ASP HA 1.800 . 2.900 1.993 1.817 2.302 . 0 0 "[ . 1 . 2]" 1
664 1 76 SER HA 1 82 VAL H 1.800 . 5.000 3.601 3.333 3.857 . 0 0 "[ . 1 . 2]" 1
665 1 76 SER HB3 1 77 HIS H 1.800 . 5.000 4.008 3.396 4.652 . 0 0 "[ . 1 . 2]" 1
666 1 76 SER HB2 1 77 HIS H 1.800 . 5.000 4.367 3.772 4.593 . 0 0 "[ . 1 . 2]" 1
667 1 77 HIS HA 1 77 HIS HD2 1.800 . 3.700 3.011 2.575 3.702 0.002 12 0 "[ . 1 . 2]" 1
668 1 77 HIS HE1 1 81 ASP QB 1.800 . 6.300 5.439 5.044 5.661 . 0 0 "[ . 1 . 2]" 1
669 1 77 HIS H 1 80 LYS H 1.800 . 5.000 3.192 2.842 3.832 . 0 0 "[ . 1 . 2]" 1
670 1 77 HIS H 1 81 ASP HA 1.800 . 5.000 2.589 2.053 3.474 . 0 0 "[ . 1 . 2]" 1
671 1 78 ASN HA 1 79 GLY H 1.800 . 3.500 2.738 2.242 3.541 0.041 8 0 "[ . 1 . 2]" 1
672 1 79 GLY HA3 1 80 LYS H 1.800 . 3.500 3.251 2.846 3.522 0.022 8 0 "[ . 1 . 2]" 1
673 1 79 GLY HA2 1 80 LYS H 1.800 . 3.500 3.244 2.941 3.547 0.047 7 0 "[ . 1 . 2]" 1
674 1 79 GLY H 1 80 LYS H 1.800 . 3.500 2.493 1.921 3.004 . 0 0 "[ . 1 . 2]" 1
675 1 80 LYS HA 1 81 ASP H 1.800 . 2.900 2.412 2.209 2.913 0.013 16 0 "[ . 1 . 2]" 1
676 1 77 HIS H 1 80 LYS QB 1.800 . 6.300 3.746 2.984 5.146 . 0 0 "[ . 1 . 2]" 1
677 1 80 LYS QB 1 81 ASP H 1.800 . 4.600 2.994 2.089 3.892 . 0 0 "[ . 1 . 2]" 1
678 1 80 LYS H 1 80 LYS QE 1.800 . 6.300 5.015 3.494 5.648 . 0 0 "[ . 1 . 2]" 1
679 1 80 LYS HA 1 80 LYS QG 1.800 . 6.300 2.309 1.930 3.321 . 0 0 "[ . 1 . 2]" 1
680 1 80 LYS H 1 80 LYS QG 1.800 . 5.500 3.453 2.330 4.356 . 0 0 "[ . 1 . 2]" 1
681 1 80 LYS QG 1 81 ASP H 1.800 . 6.300 3.585 2.164 4.362 . 0 0 "[ . 1 . 2]" 1
682 1 81 ASP HA 1 82 VAL H 1.800 . 2.900 2.364 2.250 2.692 . 0 0 "[ . 1 . 2]" 1
683 1 81 ASP H 1 81 ASP HB3 1.800 . 3.500 2.894 2.234 3.459 . 0 0 "[ . 1 . 2]" 1
684 1 81 ASP HB3 1 82 VAL H 1.800 . 5.000 3.840 3.237 4.250 . 0 0 "[ . 1 . 2]" 1
685 1 81 ASP H 1 81 ASP HB2 1.800 . 3.500 3.323 2.780 3.571 0.071 4 0 "[ . 1 . 2]" 1
686 1 81 ASP HB2 1 82 VAL H 1.800 . 5.000 3.488 2.075 4.305 . 0 0 "[ . 1 . 2]" 1
687 1 81 ASP H 1 82 VAL H 1.800 . 5.000 4.476 4.276 4.640 . 0 0 "[ . 1 . 2]" 1
688 1 82 VAL HA 1 82 VAL QG 1.800 . 5.500 2.116 2.024 2.295 . 0 0 "[ . 1 . 2]" 1
689 1 82 VAL HA 1 83 GLU H 1.800 . 2.900 2.398 2.249 2.903 0.003 2 0 "[ . 1 . 2]" 1
690 1 82 VAL HB 1 82 VAL QG 1.800 . 5.500 1.903 1.883 1.918 . 0 0 "[ . 1 . 2]" 1
691 1 82 VAL H 1 82 VAL HB 1.800 . 3.500 2.859 2.504 3.248 . 0 0 "[ . 1 . 2]" 1
692 1 77 HIS H 1 82 VAL QG 1.800 . 8.700 4.812 4.298 5.185 . 0 0 "[ . 1 . 2]" 1
693 1 82 VAL H 1 82 VAL QG 1.800 . 6.500 2.605 2.097 3.104 . 0 0 "[ . 1 . 2]" 1
694 1 82 VAL QG 1 83 GLU H 1.800 . 8.700 2.052 1.673 2.453 0.127 2 0 "[ . 1 . 2]" 1
695 1 74 THR HA 1 83 GLU HA 1.800 . 5.000 3.295 2.431 4.313 . 0 0 "[ . 1 . 2]" 1
696 1 83 GLU HA 1 84 LEU H 1.800 . 2.800 2.444 2.258 2.657 . 0 0 "[ . 1 . 2]" 1
697 1 83 GLU HA 1 83 GLU QG 1.800 . 6.300 2.354 1.962 3.301 . 0 0 "[ . 1 . 2]" 1
698 1 83 GLU QB 1 83 GLU QG 1.800 . 5.400 2.087 2.057 2.108 . 0 0 "[ . 1 . 2]" 1
699 1 83 GLU H 1 83 GLU QB 1.800 . 3.800 2.183 1.931 2.481 . 0 0 "[ . 1 . 2]" 1
700 1 83 GLU QB 1 84 LEU H 1.800 . 4.600 3.505 2.611 4.061 . 0 0 "[ . 1 . 2]" 1
701 1 83 GLU H 1 83 GLU QG 1.800 . 6.300 3.438 1.974 4.058 . 0 0 "[ . 1 . 2]" 1
702 1 83 GLU HG3 1 84 LEU H 1.800 . 5.000 4.103 3.095 5.010 0.010 10 0 "[ . 1 . 2]" 1
703 1 83 GLU HG2 1 84 LEU H 1.800 . 5.000 4.033 2.028 4.986 . 0 0 "[ . 1 . 2]" 1
704 1 83 GLU H 1 84 LEU H 1.800 . 6.000 4.220 3.551 4.695 . 0 0 "[ . 1 . 2]" 1
705 1 84 LEU HA 1 84 LEU QD 1.800 . 6.500 2.183 1.820 3.393 . 0 0 "[ . 1 . 2]" 1
706 1 84 LEU QB 1 85 LEU H 1.800 . 4.600 3.120 1.835 4.054 . 0 0 "[ . 1 . 2]" 1
707 1 84 LEU H 1 84 LEU HB3 1.800 . 3.500 2.911 2.453 3.496 . 0 0 "[ . 1 . 2]" 1
708 1 84 LEU QB 1 89 ALA MB 1.800 . 7.600 3.663 2.787 4.277 . 0 0 "[ . 1 . 2]" 1
709 1 84 LEU H 1 84 LEU HB2 1.800 . 3.500 2.600 1.940 3.534 0.034 1 0 "[ . 1 . 2]" 1
710 1 84 LEU MD1 1 89 ALA HA 1.800 . 6.400 3.566 1.855 5.088 . 0 0 "[ . 1 . 2]" 1
711 1 84 LEU HB3 1 84 LEU MD1 1.800 . 6.300 2.815 2.129 3.186 . 0 0 "[ . 1 . 2]" 1
712 1 84 LEU HB2 1 84 LEU MD1 1.800 . 5.000 2.364 1.928 3.192 . 0 0 "[ . 1 . 2]" 1
713 1 84 LEU MD1 1 89 ALA MB 1.800 . 6.700 3.395 1.692 4.547 0.108 6 0 "[ . 1 . 2]" 1
714 1 84 LEU HA 1 84 LEU MD1 1.800 . 6.400 2.716 1.827 3.729 . 0 0 "[ . 1 . 2]" 1
715 1 84 LEU H 1 84 LEU MD1 1.800 . 7.600 3.961 2.618 4.898 . 0 0 "[ . 1 . 2]" 1
716 1 53 LEU QB 1 84 LEU MD2 1.800 . 7.900 5.250 3.796 5.812 . 0 0 "[ . 1 . 2]" 1
717 1 84 LEU MD2 1 89 ALA HA 1.800 . 4.600 2.875 1.737 3.718 0.063 17 0 "[ . 1 . 2]" 1
718 1 84 LEU MD2 1 92 ILE MD 1.800 . 8.000 3.533 1.850 4.488 . 0 0 "[ . 1 . 2]" 1
719 1 84 LEU MD2 1 92 ILE QG 1.800 . 9.400 4.223 3.265 5.177 . 0 0 "[ . 1 . 2]" 1
720 1 84 LEU HB3 1 84 LEU MD2 1.800 . 6.300 2.382 1.901 3.190 . 0 0 "[ . 1 . 2]" 1
721 1 84 LEU HA 1 84 LEU MD2 1.800 . 6.400 3.106 1.857 4.025 . 0 0 "[ . 1 . 2]" 1
722 1 84 LEU H 1 84 LEU MD2 1.800 . 7.600 4.155 2.771 4.787 . 0 0 "[ . 1 . 2]" 1
723 1 84 LEU MD2 1 85 LEU H 1.800 . 6.400 3.330 1.787 5.145 0.013 3 0 "[ . 1 . 2]" 1
724 1 85 LEU HA 1 85 LEU QD 1.800 . 6.500 2.847 1.751 3.437 0.049 5 0 "[ . 1 . 2]" 1
725 1 85 LEU HA 1 86 ASP H 1.800 . 3.500 2.340 2.211 2.943 . 0 0 "[ . 1 . 2]" 1
726 1 85 LEU H 1 85 LEU QB 1.800 . 3.800 2.698 2.028 3.284 . 0 0 "[ . 1 . 2]" 1
727 1 85 LEU QB 1 86 ASP H 1.800 . 4.600 3.065 1.985 3.993 . 0 0 "[ . 1 . 2]" 1
728 1 85 LEU QB 1 87 ASP H 1.800 . 6.400 3.581 2.568 5.232 . 0 0 "[ . 1 . 2]" 1
729 1 85 LEU QB 1 85 LEU QD 1.800 . 7.700 1.852 1.711 2.082 0.089 14 0 "[ . 1 . 2]" 1
730 1 85 LEU H 1 85 LEU QD 1.800 . 8.700 2.419 1.779 3.694 0.021 2 0 "[ . 1 . 2]" 1
731 1 85 LEU HG 1 89 ALA HA 1.800 . 5.000 4.986 4.771 5.038 0.038 19 0 "[ . 1 . 2]" 1
732 1 86 ASP HA 1 87 ASP H 1.800 . 5.000 3.530 3.392 3.590 . 0 0 "[ . 1 . 2]" 1
733 1 86 ASP HA 1 89 ALA MB 1.800 . 5.000 2.095 1.743 3.039 0.057 12 0 "[ . 1 . 2]" 1
734 1 86 ASP HA 1 89 ALA H 1.800 . 3.500 3.376 3.063 3.582 0.082 9 0 "[ . 1 . 2]" 1
735 1 86 ASP HA 1 88 LEU H 1.800 . 5.000 4.594 4.125 5.000 0.000 12 0 "[ . 1 . 2]" 1
736 1 87 ASP HB3 1 88 LEU H 1.800 . 3.500 2.661 1.914 3.408 . 0 0 "[ . 1 . 2]" 1
737 1 87 ASP HB2 1 88 LEU H 1.800 . 3.500 3.014 2.299 3.452 . 0 0 "[ . 1 . 2]" 1
738 1 87 ASP H 1 89 ALA H 1.800 . 5.000 3.893 3.635 4.298 . 0 0 "[ . 1 . 2]" 1
739 1 87 ASP H 1 88 LEU H 1.800 . 3.500 2.957 2.695 3.308 . 0 0 "[ . 1 . 2]" 1
740 1 88 LEU HA 1 88 LEU MD1 1.800 . 6.400 2.669 1.846 3.701 . 0 0 "[ . 1 . 2]" 1
741 1 88 LEU HA 1 89 ALA H 1.800 . 3.500 3.482 3.412 3.531 0.031 14 0 "[ . 1 . 2]" 1
742 1 88 LEU H 1 88 LEU QB 1.800 . 4.600 2.000 1.942 2.102 . 0 0 "[ . 1 . 2]" 1
743 1 88 LEU HB3 1 89 ALA H 1.800 . 3.500 3.334 2.850 3.526 0.026 8 0 "[ . 1 . 2]" 1
744 1 88 LEU HB2 1 89 ALA H 1.800 . 3.500 3.377 3.104 3.526 0.026 12 0 "[ . 1 . 2]" 1
745 1 88 LEU H 1 88 LEU MD1 1.800 . 6.400 3.319 2.495 4.213 . 0 0 "[ . 1 . 2]" 1
746 1 88 LEU H 1 89 ALA MB 1.800 . 6.400 3.935 3.817 4.126 . 0 0 "[ . 1 . 2]" 1
747 1 88 LEU H 1 89 ALA H 1.800 . 3.500 2.374 2.295 2.511 . 0 0 "[ . 1 . 2]" 1
748 1 23 VAL HB 1 89 ALA HA 1.800 . 4.600 4.590 4.421 4.657 0.057 3 0 "[ . 1 . 2]" 1
749 1 23 VAL QG 1 89 ALA HA 1.800 . 8.700 3.033 2.042 4.735 . 0 0 "[ . 1 . 2]" 1
750 1 89 ALA HA 1 91 THR H 1.800 . 6.000 4.143 3.388 4.758 . 0 0 "[ . 1 . 2]" 1
751 1 24 ILE HA 1 89 ALA MB 1.800 . 6.400 4.213 3.753 4.648 . 0 0 "[ . 1 . 2]" 1
752 1 24 ILE HB 1 89 ALA MB 1.800 . 6.400 3.604 2.911 3.874 . 0 0 "[ . 1 . 2]" 1
753 1 24 ILE QG 1 89 ALA MB 1.800 . 7.400 3.284 2.003 4.273 . 0 0 "[ . 1 . 2]" 1
754 1 89 ALA H 1 89 ALA MB 1.800 . 4.600 2.060 1.917 2.176 . 0 0 "[ . 1 . 2]" 1
755 1 89 ALA MB 1 90 HIS H 1.800 . 6.400 2.689 1.845 3.708 . 0 0 "[ . 1 . 2]" 1
756 1 89 ALA H 1 90 HIS H 1.800 . 3.500 2.902 2.551 3.438 . 0 0 "[ . 1 . 2]" 1
757 1 89 ALA H 1 91 THR H 1.800 . 6.000 5.439 4.417 6.020 0.020 5 0 "[ . 1 . 2]" 1
758 1 22 ARG QD 1 90 HIS HA 1.800 . 6.400 3.661 2.274 4.970 . 0 0 "[ . 1 . 2]" 1
759 1 90 HIS QB 1 91 THR H 1.800 . 6.400 3.885 2.193 4.074 . 0 0 "[ . 1 . 2]" 1
760 1 90 HIS H 1 92 ILE H 1.800 . 6.000 5.270 4.427 6.040 0.040 17 0 "[ . 1 . 2]" 1
761 1 91 THR HA 1 91 THR MG 1.800 . 4.600 2.479 1.937 3.194 . 0 0 "[ . 1 . 2]" 1
762 1 91 THR HA 1 92 ILE H 1.800 . 3.500 3.556 3.501 3.576 0.076 11 0 "[ . 1 . 2]" 1
763 1 91 THR H 1 91 THR MG 1.800 . 4.600 3.144 1.829 3.915 . 0 0 "[ . 1 . 2]" 1
764 1 91 THR MG 1 92 ILE H 1.800 . 6.400 3.171 1.755 4.161 0.045 8 0 "[ . 1 . 2]" 1
765 1 91 THR H 1 92 ILE H 1.800 . 3.500 2.136 1.796 3.417 0.004 3 0 "[ . 1 . 2]" 1
766 1 92 ILE H 1 92 ILE HA 1.800 . 2.900 2.886 2.671 2.975 0.075 5 0 "[ . 1 . 2]" 1
767 1 92 ILE HA 1 93 ARG H 1.800 . 2.900 2.269 2.201 2.531 . 0 0 "[ . 1 . 2]" 1
768 1 92 ILE H 1 92 ILE HB 1.800 . 3.500 3.459 2.184 3.616 0.116 5 0 "[ . 1 . 2]" 1
769 1 91 THR HA 1 92 ILE MD 1.800 . 6.400 4.204 3.987 4.585 . 0 0 "[ . 1 . 2]" 1
770 1 92 ILE H 1 92 ILE MD 1.800 . 6.400 1.676 1.605 1.775 0.195 17 0 "[ . 1 . 2]" 1
771 1 92 ILE MD 1 93 ARG H 1.800 . 6.400 4.459 4.006 5.020 . 0 0 "[ . 1 . 2]" 1
772 1 92 ILE HA 1 92 ILE QG 1.800 . 5.000 3.361 2.265 3.446 . 0 0 "[ . 1 . 2]" 1
773 1 92 ILE H 1 92 ILE HG13 1.800 . 3.500 3.586 3.515 3.632 0.132 18 0 "[ . 1 . 2]" 1
774 1 92 ILE H 1 92 ILE HG12 1.800 . 3.500 3.238 2.330 3.668 0.168 13 0 "[ . 1 . 2]" 1
775 1 36 ILE MD 1 92 ILE MG 1.800 . 5.800 3.236 1.848 3.819 . 0 0 "[ . 1 . 2]" 1
776 1 92 ILE HA 1 92 ILE MG 1.800 . 4.600 2.451 2.343 2.655 . 0 0 "[ . 1 . 2]" 1
777 1 92 ILE HG13 1 92 ILE MG 1.800 . 6.400 2.467 2.341 2.717 . 0 0 "[ . 1 . 2]" 1
778 1 92 ILE H 1 93 ARG H 1.800 . 5.000 4.618 4.465 4.675 . 0 0 "[ . 1 . 2]" 1
779 1 22 ARG HA 1 93 ARG HA 1.800 . 5.000 3.025 1.795 3.636 0.005 17 0 "[ . 1 . 2]" 1
780 1 93 ARG HA 1 94 ILE H 1.800 . 2.900 2.248 2.218 2.305 . 0 0 "[ . 1 . 2]" 1
781 1 93 ARG QB 1 93 ARG QD 1.800 . 5.800 2.154 1.937 2.446 . 0 0 "[ . 1 . 2]" 1
782 1 93 ARG QB 1 93 ARG QG 1.800 . 4.800 2.082 2.050 2.107 . 0 0 "[ . 1 . 2]" 1
783 1 93 ARG H 1 93 ARG HB3 1.800 . 3.500 3.219 2.731 3.564 0.064 9 0 "[ . 1 . 2]" 1
784 1 93 ARG HB3 1 94 ILE H 1.800 . 5.000 4.020 3.752 4.451 . 0 0 "[ . 1 . 2]" 1
785 1 93 ARG HA 1 93 ARG QG 1.800 . 4.600 2.254 1.947 3.300 . 0 0 "[ . 1 . 2]" 1
786 1 93 ARG H 1 93 ARG QG 1.800 . 6.000 3.145 1.795 4.007 0.005 3 0 "[ . 1 . 2]" 1
787 1 94 ILE HA 1 94 ILE MD 1.800 . 6.400 3.614 3.126 3.847 . 0 0 "[ . 1 . 2]" 1
788 1 94 ILE HA 1 94 ILE MG 1.800 . 4.600 2.598 2.470 2.749 . 0 0 "[ . 1 . 2]" 1
789 1 94 ILE HA 1 95 GLU H 1.800 . 2.900 2.540 2.296 2.706 . 0 0 "[ . 1 . 2]" 1
790 1 94 ILE HB 1 94 ILE MD 1.800 . 4.600 2.423 1.869 3.191 . 0 0 "[ . 1 . 2]" 1
791 1 94 ILE H 1 94 ILE MD 1.800 . 6.400 3.298 1.766 4.199 0.034 3 0 "[ . 1 . 2]" 1
792 1 94 ILE MD 1 95 GLU HA 1.800 . 4.600 3.374 2.528 3.673 . 0 0 "[ . 1 . 2]" 1
793 1 94 ILE MD 1 95 GLU H 1.800 . 6.400 2.955 2.253 3.878 . 0 0 "[ . 1 . 2]" 1
794 1 94 ILE MD 1 96 GLU H 1.800 . 6.400 4.762 3.953 5.241 . 0 0 "[ . 1 . 2]" 1
795 1 94 ILE H 1 94 ILE HG13 1.800 . 4.000 3.160 2.608 4.053 0.053 2 0 "[ . 1 . 2]" 1
796 1 94 ILE H 1 94 ILE HG12 1.800 . 5.000 3.308 2.772 3.981 . 0 0 "[ . 1 . 2]" 1
797 1 94 ILE H 1 95 GLU H 1.800 . 5.000 4.488 4.392 4.542 . 0 0 "[ . 1 . 2]" 1
798 1 95 GLU HA 1 96 GLU H 1.800 . 2.900 2.547 2.365 2.770 . 0 0 "[ . 1 . 2]" 1
799 1 95 GLU QB 1 96 GLU H 1.800 . 4.600 2.560 2.001 3.475 . 0 0 "[ . 1 . 2]" 1
800 1 95 GLU H 1 95 GLU QG 1.800 . 4.600 3.343 1.959 4.164 . 0 0 "[ . 1 . 2]" 1
801 1 96 GLU HA 1 96 GLU QG 1.800 . 4.600 2.548 2.030 3.303 . 0 0 "[ . 1 . 2]" 1
802 1 96 GLU HA 1 97 LEU H 1.800 . 2.900 2.368 2.210 2.908 0.008 6 0 "[ . 1 . 2]" 1
803 1 96 GLU QB 1 96 GLU QG 1.800 . 4.900 2.072 2.040 2.109 . 0 0 "[ . 1 . 2]" 1
804 1 96 GLU H 1 96 GLU HB3 1.800 . 3.500 2.816 2.297 3.525 0.025 16 0 "[ . 1 . 2]" 1
805 1 96 GLU HB3 1 97 LEU H 1.800 . 5.000 4.028 2.852 4.678 . 0 0 "[ . 1 . 2]" 1
806 1 96 GLU H 1 96 GLU HB2 1.800 . 3.500 2.735 2.043 3.568 0.068 6 0 "[ . 1 . 2]" 1
807 1 96 GLU HB2 1 97 LEU H 1.800 . 5.000 4.191 2.391 4.658 . 0 0 "[ . 1 . 2]" 1
808 1 96 GLU H 1 96 GLU QG 1.800 . 6.300 3.254 1.794 4.072 0.006 10 0 "[ . 1 . 2]" 1
809 1 97 LEU HA 1 97 LEU QD 1.800 . 5.500 2.360 1.752 3.434 0.048 19 0 "[ . 1 . 2]" 1
810 1 97 LEU H 1 97 LEU QB 1.800 . 4.600 2.362 1.925 3.226 . 0 0 "[ . 1 . 2]" 1
811 1 97 LEU HB3 1 97 LEU QD 1.800 . 5.500 2.118 1.869 2.368 . 0 0 "[ . 1 . 2]" 1
812 1 97 LEU HB2 1 97 LEU QD 1.800 . 5.500 2.082 1.880 2.361 . 0 0 "[ . 1 . 2]" 1
813 1 35 ARG QG 1 97 LEU QD 1.800 . 7.800 3.760 2.370 4.685 . 0 0 "[ . 1 . 2]" 1
814 1 63 GLU HG3 1 97 LEU QD 1.800 . 8.700 3.270 1.817 5.305 . 0 0 "[ . 1 . 2]" 1
815 1 63 GLU HG2 1 97 LEU QD 1.800 . 8.700 3.266 1.849 4.978 . 0 0 "[ . 1 . 2]" 1
816 1 97 LEU H 1 97 LEU QD 1.800 . 8.700 3.251 2.240 3.750 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 30
_Distance_constraint_stats_list.Viol_count 154
_Distance_constraint_stats_list.Viol_total 145.759
_Distance_constraint_stats_list.Viol_max 0.211
_Distance_constraint_stats_list.Viol_rms 0.0343
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0121
_Distance_constraint_stats_list.Viol_average_violations_only 0.0473
_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 34 VAL 2.347 0.172 12 0 "[ . 1 . 2]"
1 35 ARG 0.452 0.083 13 0 "[ . 1 . 2]"
1 36 ILE 2.727 0.211 17 0 "[ . 1 . 2]"
1 38 GLN 0.059 0.026 5 0 "[ . 1 . 2]"
1 47 THR 0.076 0.020 17 0 "[ . 1 . 2]"
1 48 ASP 0.080 0.034 17 0 "[ . 1 . 2]"
1 50 PHE 0.076 0.020 17 0 "[ . 1 . 2]"
1 51 THR 0.113 0.034 17 0 "[ . 1 . 2]"
1 54 LEU 0.033 0.010 2 0 "[ . 1 . 2]"
1 62 SER 2.727 0.211 17 0 "[ . 1 . 2]"
1 64 VAL 2.347 0.172 12 0 "[ . 1 . 2]"
1 65 GLU 1.044 0.095 5 0 "[ . 1 . 2]"
1 67 VAL 0.208 0.053 17 0 "[ . 1 . 2]"
1 69 ARG 0.055 0.013 4 0 "[ . 1 . 2]"
1 72 HIS 0.055 0.013 4 0 "[ . 1 . 2]"
1 74 THR 0.208 0.053 17 0 "[ . 1 . 2]"
1 75 LEU 0.106 0.023 20 0 "[ . 1 . 2]"
1 76 SER 1.044 0.095 5 0 "[ . 1 . 2]"
1 77 HIS 0.099 0.030 8 0 "[ . 1 . 2]"
1 80 LYS 0.099 0.030 8 0 "[ . 1 . 2]"
1 82 VAL 0.106 0.023 20 0 "[ . 1 . 2]"
1 93 ARG 0.059 0.026 5 0 "[ . 1 . 2]"
1 95 GLU 0.452 0.083 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 47 THR O 1 50 PHE H 1.500 . 2.800 2.560 1.858 2.814 0.014 18 0 "[ . 1 . 2]" 2
2 1 47 THR O 1 50 PHE N 2.400 2.400 3.500 3.290 2.827 3.520 0.020 17 0 "[ . 1 . 2]" 2
3 1 48 ASP O 1 51 THR H 1.500 . 2.800 2.364 1.636 2.827 0.027 18 0 "[ . 1 . 2]" 2
4 1 48 ASP O 1 51 THR N 2.400 2.400 3.500 3.119 2.567 3.534 0.034 17 0 "[ . 1 . 2]" 2
5 1 51 THR O 1 54 LEU H 1.500 . 2.800 2.694 2.294 2.810 0.010 2 0 "[ . 1 . 2]" 2
6 1 51 THR O 1 54 LEU N 2.400 2.400 3.500 3.293 2.830 3.509 0.009 14 0 "[ . 1 . 2]" 2
7 1 35 ARG H 1 95 GLU O 1.500 . 2.000 2.010 1.854 2.083 0.083 13 0 "[ . 1 . 2]" 2
8 1 35 ARG N 1 95 GLU O 2.400 2.400 3.500 2.750 2.601 2.891 . 0 0 "[ . 1 . 2]" 2
9 1 36 ILE H 1 62 SER O 1.500 . 2.000 2.136 2.066 2.211 0.211 17 0 "[ . 1 . 2]" 2
10 1 36 ILE N 1 62 SER O 2.400 2.400 3.500 2.934 2.748 3.118 . 0 0 "[ . 1 . 2]" 2
11 1 34 VAL O 1 64 VAL H 1.500 . 2.000 2.117 2.073 2.172 0.172 12 0 "[ . 1 . 2]" 2
12 1 34 VAL O 1 64 VAL N 2.400 2.400 3.500 2.910 2.852 2.972 . 0 0 "[ . 1 . 2]" 2
13 1 65 GLU H 1 76 SER O 1.500 . 2.000 2.052 2.013 2.095 0.095 5 0 "[ . 1 . 2]" 2
14 1 65 GLU N 1 76 SER O 2.400 2.400 3.500 2.710 2.492 2.955 . 0 0 "[ . 1 . 2]" 2
15 1 67 VAL H 1 74 THR O 1.500 . 2.000 1.956 1.549 2.053 0.053 17 0 "[ . 1 . 2]" 2
16 1 67 VAL N 1 74 THR O 2.400 2.400 3.500 2.827 2.452 2.934 . 0 0 "[ . 1 . 2]" 2
17 1 69 ARG H 1 72 HIS O 1.500 . 2.000 1.734 1.503 2.004 0.004 7 0 "[ . 1 . 2]" 2
18 1 69 ARG N 1 72 HIS O 2.400 2.400 3.500 2.537 2.420 2.888 . 0 0 "[ . 1 . 2]" 2
19 1 69 ARG O 1 72 HIS H 1.500 . 2.000 1.883 1.543 2.013 0.013 4 0 "[ . 1 . 2]" 2
20 1 69 ARG O 1 72 HIS N 2.400 2.400 3.500 2.792 2.481 2.964 . 0 0 "[ . 1 . 2]" 2
21 1 77 HIS H 1 80 LYS O 1.500 . 2.000 1.691 1.497 2.012 0.012 5 0 "[ . 1 . 2]" 2
22 1 77 HIS N 1 80 LYS O 2.400 2.400 3.500 2.558 2.414 2.887 . 0 0 "[ . 1 . 2]" 2
23 1 77 HIS O 1 80 LYS H 1.500 . 2.000 1.924 1.501 2.030 0.030 8 0 "[ . 1 . 2]" 2
24 1 77 HIS O 1 80 LYS N 2.400 2.400 3.500 2.831 2.479 2.994 . 0 0 "[ . 1 . 2]" 2
25 1 75 LEU O 1 82 VAL H 1.500 . 2.000 1.980 1.756 2.023 0.023 20 0 "[ . 1 . 2]" 2
26 1 75 LEU O 1 82 VAL N 2.400 2.400 3.500 2.887 2.690 2.970 . 0 0 "[ . 1 . 2]" 2
27 1 38 GLN O 1 93 ARG H 1.500 . 2.000 1.785 1.495 2.026 0.026 5 0 "[ . 1 . 2]" 2
28 1 38 GLN O 1 93 ARG N 2.400 2.400 3.500 2.688 2.408 2.986 . 0 0 "[ . 1 . 2]" 2
29 1 35 ARG O 1 95 GLU H 1.500 . 2.000 1.761 1.549 2.022 0.022 15 0 "[ . 1 . 2]" 2
30 1 35 ARG O 1 95 GLU N 2.400 2.400 3.500 2.669 2.483 2.964 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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