NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
426761 |
2hfq   |
7266 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2hfq
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 1026
_Distance_constraint_stats_list.Viol_count 619
_Distance_constraint_stats_list.Viol_total 284.337
_Distance_constraint_stats_list.Viol_max 0.171
_Distance_constraint_stats_list.Viol_rms 0.0056
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0230
_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 23 MET 0.235 0.056 13 0 "[ . 1 . 2]"
1 24 GLN 0.153 0.075 20 0 "[ . 1 . 2]"
1 25 ILE 1.063 0.067 15 0 "[ . 1 . 2]"
1 26 HIS 0.099 0.039 10 0 "[ . 1 . 2]"
1 27 VAL 0.179 0.030 14 0 "[ . 1 . 2]"
1 28 TYR 0.122 0.025 2 0 "[ . 1 . 2]"
1 29 ASP 0.303 0.094 18 0 "[ . 1 . 2]"
1 30 THR 0.083 0.023 3 0 "[ . 1 . 2]"
1 31 TYR 0.192 0.033 3 0 "[ . 1 . 2]"
1 32 VAL 0.492 0.058 11 0 "[ . 1 . 2]"
1 33 LYS 0.256 0.068 6 0 "[ . 1 . 2]"
1 34 ALA 0.310 0.047 5 0 "[ . 1 . 2]"
1 35 LYS 0.428 0.125 13 0 "[ . 1 . 2]"
1 36 ASP 0.138 0.038 16 0 "[ . 1 . 2]"
1 37 GLY 0.108 0.073 15 0 "[ . 1 . 2]"
1 38 HIS 0.597 0.078 7 0 "[ . 1 . 2]"
1 39 VAL 0.773 0.078 7 0 "[ . 1 . 2]"
1 40 MET 0.412 0.058 11 0 "[ . 1 . 2]"
1 41 HIS 0.098 0.029 16 0 "[ . 1 . 2]"
1 42 PHE 0.393 0.073 10 0 "[ . 1 . 2]"
1 43 ASP 0.561 0.100 6 0 "[ . 1 . 2]"
1 44 VAL 0.278 0.039 19 0 "[ . 1 . 2]"
1 45 PHE 0.130 0.026 20 0 "[ . 1 . 2]"
1 46 THR 0.224 0.054 19 0 "[ . 1 . 2]"
1 47 ASP 0.116 0.039 10 0 "[ . 1 . 2]"
1 48 VAL 0.083 0.014 10 0 "[ . 1 . 2]"
1 49 ARG 0.616 0.083 4 0 "[ . 1 . 2]"
1 50 ASP 0.874 0.083 4 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LYS 0.018 0.009 6 0 "[ . 1 . 2]"
1 53 LYS 0.382 0.047 15 0 "[ . 1 . 2]"
1 54 ALA 0.135 0.046 3 0 "[ . 1 . 2]"
1 55 ILE 0.514 0.044 9 0 "[ . 1 . 2]"
1 56 GLU 0.057 0.043 10 0 "[ . 1 . 2]"
1 57 PHE 0.525 0.047 15 0 "[ . 1 . 2]"
1 58 ALA 0.043 0.023 3 0 "[ . 1 . 2]"
1 59 LYS 0.664 0.078 9 0 "[ . 1 . 2]"
1 60 GLN 0.623 0.078 9 0 "[ . 1 . 2]"
1 61 TRP 0.333 0.037 7 0 "[ . 1 . 2]"
1 62 LEU 0.131 0.022 17 0 "[ . 1 . 2]"
1 63 SER 0.115 0.031 15 0 "[ . 1 . 2]"
1 64 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ILE 0.180 0.026 1 0 "[ . 1 . 2]"
1 66 GLY 0.022 0.022 10 0 "[ . 1 . 2]"
1 67 GLU 0.410 0.040 4 0 "[ . 1 . 2]"
1 68 GLU 0.303 0.040 4 0 "[ . 1 . 2]"
1 69 GLY 0.187 0.042 1 0 "[ . 1 . 2]"
1 70 ALA 0.385 0.042 1 0 "[ . 1 . 2]"
1 71 THR 0.014 0.014 8 0 "[ . 1 . 2]"
1 72 VAL 0.339 0.048 12 0 "[ . 1 . 2]"
1 73 THR 0.588 0.147 17 0 "[ . 1 . 2]"
1 74 SER 0.463 0.147 17 0 "[ . 1 . 2]"
1 75 GLU 0.707 0.083 9 0 "[ . 1 . 2]"
1 76 GLU 0.148 0.047 13 0 "[ . 1 . 2]"
1 77 CYS 0.332 0.048 12 0 "[ . 1 . 2]"
1 78 ARG 0.048 0.024 15 0 "[ . 1 . 2]"
1 79 PHE 0.024 0.012 8 0 "[ . 1 . 2]"
1 80 CYS 0.085 0.030 14 0 "[ . 1 . 2]"
1 81 HIS 1.075 0.171 20 0 "[ . 1 . 2]"
1 82 SER 0.984 0.171 20 0 "[ . 1 . 2]"
1 83 GLU 0.584 0.075 20 0 "[ . 1 . 2]"
1 84 LYS 0.214 0.057 11 0 "[ . 1 . 2]"
1 85 ALA 0.605 0.057 11 0 "[ . 1 . 2]"
1 86 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASP 0.623 0.069 2 0 "[ . 1 . 2]"
1 88 GLU 0.093 0.061 2 0 "[ . 1 . 2]"
1 89 VAL 0.749 0.083 15 0 "[ . 1 . 2]"
1 90 ILE 1.135 0.083 15 0 "[ . 1 . 2]"
1 91 GLU 0.081 0.028 19 0 "[ . 1 . 2]"
1 92 ALA 0.078 0.038 16 0 "[ . 1 . 2]"
1 93 ILE 0.175 0.063 18 0 "[ . 1 . 2]"
1 94 LYS 0.519 0.089 18 0 "[ . 1 . 2]"
1 95 GLN 0.435 0.089 18 0 "[ . 1 . 2]"
1 96 ASN 0.210 0.063 18 0 "[ . 1 . 2]"
1 97 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 TYR 0.189 0.054 19 0 "[ . 1 . 2]"
1 99 PHE 0.082 0.022 15 0 "[ . 1 . 2]"
1 100 ILE 0.218 0.033 8 0 "[ . 1 . 2]"
1 101 TYR 0.101 0.022 12 0 "[ . 1 . 2]"
1 102 LYS 0.331 0.104 14 0 "[ . 1 . 2]"
1 103 MET 0.844 0.100 6 0 "[ . 1 . 2]"
1 104 GLU 0.038 0.024 18 0 "[ . 1 . 2]"
1 105 GLY 0.050 0.028 15 0 "[ . 1 . 2]"
1 106 CYS 0.058 0.039 3 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 23 MET HA 1 23 MET ME 1.800 . 5.000 4.447 4.006 4.771 . 0 0 "[ . 1 . 2]" 1
2 1 23 MET HA 1 24 GLN H 1.800 . 3.500 2.201 2.104 2.546 . 0 0 "[ . 1 . 2]" 1
3 1 23 MET HA 1 90 ILE MD 1.800 . 5.000 4.839 4.365 5.056 0.056 13 0 "[ . 1 . 2]" 1
4 1 23 MET QB 1 24 GLN H 1.800 . 4.500 3.590 2.161 3.962 . 0 0 "[ . 1 . 2]" 1
5 1 23 MET QB 1 85 ALA MB 1.800 . 5.000 3.407 2.090 4.664 . 0 0 "[ . 1 . 2]" 1
6 1 23 MET QB 1 90 ILE MD 1.800 . 5.000 2.659 1.878 3.757 . 0 0 "[ . 1 . 2]" 1
7 1 23 MET ME 1 23 MET HG2 1.800 . 5.000 2.520 2.388 3.407 . 0 0 "[ . 1 . 2]" 1
8 1 23 MET ME 1 23 MET HG3 1.800 . 5.000 2.822 2.446 3.400 . 0 0 "[ . 1 . 2]" 1
9 1 23 MET HG2 1 24 GLN H 1.800 . 5.000 3.317 1.943 5.003 0.003 13 0 "[ . 1 . 2]" 1
10 1 23 MET HG3 1 24 GLN H 1.800 . 5.000 3.440 2.569 4.840 . 0 0 "[ . 1 . 2]" 1
11 1 23 MET QG 1 25 ILE MG 1.800 . 5.000 3.697 2.916 5.011 0.011 2 0 "[ . 1 . 2]" 1
12 1 23 MET QG 1 85 ALA MB 1.800 . 5.000 3.561 2.941 4.093 . 0 0 "[ . 1 . 2]" 1
13 1 23 MET QG 1 90 ILE MG 1.800 . 5.000 3.819 2.464 4.996 . 0 0 "[ . 1 . 2]" 1
14 1 23 MET QG 1 90 ILE MD 1.800 . 5.000 3.048 1.933 4.610 . 0 0 "[ . 1 . 2]" 1
15 1 23 MET ME 1 25 ILE MG 1.800 . 5.000 2.941 2.019 4.314 . 0 0 "[ . 1 . 2]" 1
16 1 23 MET ME 1 47 ASP HA 1.800 . 5.000 3.893 2.724 5.013 0.013 3 0 "[ . 1 . 2]" 1
17 1 23 MET ME 1 47 ASP HB2 1.800 . 5.000 2.563 1.780 3.688 0.020 9 0 "[ . 1 . 2]" 1
18 1 23 MET ME 1 47 ASP HB3 1.800 . 5.000 3.202 1.796 4.882 0.004 16 0 "[ . 1 . 2]" 1
19 1 23 MET ME 1 85 ALA MB 1.800 . 5.000 3.553 2.134 4.992 . 0 0 "[ . 1 . 2]" 1
20 1 23 MET ME 1 90 ILE HA 1.800 . 5.000 3.099 1.793 4.817 0.007 5 0 "[ . 1 . 2]" 1
21 1 23 MET ME 1 90 ILE MG 1.800 . 5.000 3.137 2.148 4.837 . 0 0 "[ . 1 . 2]" 1
22 1 23 MET ME 1 90 ILE MD 1.800 . 5.000 2.823 1.786 3.738 0.014 5 0 "[ . 1 . 2]" 1
23 1 23 MET ME 1 93 ILE HB 1.800 . 5.000 2.701 1.810 4.665 . 0 0 "[ . 1 . 2]" 1
24 1 23 MET ME 1 93 ILE MG 1.800 . 5.000 2.638 2.069 4.018 . 0 0 "[ . 1 . 2]" 1
25 1 23 MET ME 1 93 ILE MD 1.800 . 5.000 2.588 1.972 4.368 . 0 0 "[ . 1 . 2]" 1
26 1 24 GLN HA 1 25 ILE H 1.800 . 3.500 2.195 2.108 2.331 . 0 0 "[ . 1 . 2]" 1
27 1 24 GLN HA 1 83 GLU H 1.800 . 5.000 4.635 4.147 5.075 0.075 20 0 "[ . 1 . 2]" 1
28 1 24 GLN HA 1 84 LYS HA 1.800 . 5.000 3.542 2.466 5.013 0.013 4 0 "[ . 1 . 2]" 1
29 1 24 GLN HA 1 85 ALA H 1.800 . 5.000 3.644 2.709 4.622 . 0 0 "[ . 1 . 2]" 1
30 1 24 GLN HA 1 85 ALA MB 1.800 . 5.000 3.445 2.241 4.232 . 0 0 "[ . 1 . 2]" 1
31 1 24 GLN QG 1 25 ILE H 1.800 . 5.000 4.022 2.486 4.646 . 0 0 "[ . 1 . 2]" 1
32 1 24 GLN QG 1 82 SER QB 1.800 . 5.000 4.048 2.348 4.830 . 0 0 "[ . 1 . 2]" 1
33 1 25 ILE H 1 25 ILE HG12 1.800 . 5.000 1.952 1.788 2.383 0.012 15 0 "[ . 1 . 2]" 1
34 1 25 ILE H 1 25 ILE HG13 1.800 . 5.000 2.715 2.556 2.917 . 0 0 "[ . 1 . 2]" 1
35 1 25 ILE H 1 25 ILE MD 1.800 . 5.000 3.643 3.511 3.930 . 0 0 "[ . 1 . 2]" 1
36 1 25 ILE H 1 84 LYS HA 1.800 . 5.000 4.192 3.640 4.996 . 0 0 "[ . 1 . 2]" 1
37 1 25 ILE HA 1 25 ILE HB 1.800 . 2.900 2.545 2.476 2.605 . 0 0 "[ . 1 . 2]" 1
38 1 25 ILE HA 1 25 ILE MD 1.800 . 5.000 4.179 4.153 4.190 . 0 0 "[ . 1 . 2]" 1
39 1 25 ILE HA 1 26 HIS H 1.800 . 3.500 2.122 2.075 2.279 . 0 0 "[ . 1 . 2]" 1
40 1 25 ILE HA 1 26 HIS HD2 1.800 . 5.000 3.853 2.964 4.963 . 0 0 "[ . 1 . 2]" 1
41 1 25 ILE HA 1 46 THR H 1.800 . 5.000 4.104 3.556 4.703 . 0 0 "[ . 1 . 2]" 1
42 1 25 ILE HA 1 47 ASP HA 1.800 . 5.000 3.352 2.715 4.031 . 0 0 "[ . 1 . 2]" 1
43 1 25 ILE HA 1 93 ILE MD 1.800 . 5.000 3.783 3.136 4.603 . 0 0 "[ . 1 . 2]" 1
44 1 25 ILE HB 1 26 HIS H 1.800 . 5.000 3.249 2.645 3.808 . 0 0 "[ . 1 . 2]" 1
45 1 25 ILE HB 1 45 PHE QB 1.800 . 5.000 2.788 2.375 3.534 . 0 0 "[ . 1 . 2]" 1
46 1 25 ILE HB 1 85 ALA MB 1.800 . 5.000 4.004 3.679 4.305 . 0 0 "[ . 1 . 2]" 1
47 1 25 ILE HB 1 89 VAL MG2 1.800 . 5.000 4.451 3.762 5.015 0.015 19 0 "[ . 1 . 2]" 1
48 1 25 ILE HB 1 93 ILE MD 1.800 . 5.000 3.700 3.326 4.149 . 0 0 "[ . 1 . 2]" 1
49 1 25 ILE HG12 1 25 ILE MG 1.800 . 5.000 2.414 2.359 2.488 . 0 0 "[ . 1 . 2]" 1
50 1 25 ILE HG13 1 25 ILE MG 1.800 . 5.000 3.207 3.199 3.212 . 0 0 "[ . 1 . 2]" 1
51 1 25 ILE QG 1 27 VAL MG2 1.800 . 5.000 2.890 2.244 3.277 . 0 0 "[ . 1 . 2]" 1
52 1 25 ILE HG12 1 83 GLU QG 1.800 . 5.000 3.353 2.889 4.465 . 0 0 "[ . 1 . 2]" 1
53 1 25 ILE HG13 1 83 GLU QG 1.800 . 5.000 2.777 2.130 4.345 . 0 0 "[ . 1 . 2]" 1
54 1 25 ILE QG 1 85 ALA HA 1.800 . 5.000 2.894 2.415 3.702 . 0 0 "[ . 1 . 2]" 1
55 1 25 ILE HG12 1 85 ALA MB 1.800 . 5.000 2.304 1.774 2.806 0.026 11 0 "[ . 1 . 2]" 1
56 1 25 ILE HG13 1 85 ALA MB 1.800 . 5.000 3.811 3.266 4.228 . 0 0 "[ . 1 . 2]" 1
57 1 25 ILE QG 1 86 PRO QD 1.800 . 5.000 3.919 3.258 4.811 . 0 0 "[ . 1 . 2]" 1
58 1 25 ILE MG 1 26 HIS H 1.800 . 5.000 3.688 3.427 3.960 . 0 0 "[ . 1 . 2]" 1
59 1 25 ILE MG 1 45 PHE QB 1.800 . 5.000 2.534 1.875 3.056 . 0 0 "[ . 1 . 2]" 1
60 1 25 ILE MG 1 47 ASP HA 1.800 . 5.000 4.306 3.481 4.959 . 0 0 "[ . 1 . 2]" 1
61 1 25 ILE MG 1 47 ASP QB 1.800 . 5.000 4.105 2.757 4.997 . 0 0 "[ . 1 . 2]" 1
62 1 25 ILE MG 1 83 GLU H 1.800 . 5.000 5.008 4.895 5.062 0.062 11 0 "[ . 1 . 2]" 1
63 1 25 ILE MG 1 85 ALA H 1.800 . 5.000 4.163 3.517 4.628 . 0 0 "[ . 1 . 2]" 1
64 1 25 ILE MG 1 85 ALA HA 1.800 . 5.000 3.282 2.450 4.187 . 0 0 "[ . 1 . 2]" 1
65 1 25 ILE MG 1 85 ALA MB 1.800 . 5.000 1.814 1.760 2.004 0.040 17 0 "[ . 1 . 2]" 1
66 1 25 ILE MG 1 90 ILE QG 1.800 . 5.000 4.482 3.596 5.059 0.059 9 0 "[ . 1 . 2]" 1
67 1 25 ILE MG 1 90 ILE MD 1.800 . 5.000 3.368 2.279 4.592 . 0 0 "[ . 1 . 2]" 1
68 1 25 ILE MG 1 93 ILE MD 1.800 . 5.000 2.107 1.891 2.831 . 0 0 "[ . 1 . 2]" 1
69 1 25 ILE MD 1 27 VAL HA 1.800 . 5.000 4.826 4.196 5.027 0.027 10 0 "[ . 1 . 2]" 1
70 1 25 ILE MD 1 27 VAL MG2 1.800 . 5.000 2.860 2.417 3.148 . 0 0 "[ . 1 . 2]" 1
71 1 25 ILE MD 1 45 PHE HA 1.800 . 5.000 4.311 3.382 4.951 . 0 0 "[ . 1 . 2]" 1
72 1 25 ILE MD 1 45 PHE QB 1.800 . 5.000 3.227 1.984 4.318 . 0 0 "[ . 1 . 2]" 1
73 1 25 ILE MD 1 45 PHE QD 1.800 . 5.000 2.452 1.993 3.245 . 0 0 "[ . 1 . 2]" 1
74 1 25 ILE MD 1 45 PHE QE 1.800 . 5.000 2.758 2.122 3.595 . 0 0 "[ . 1 . 2]" 1
75 1 25 ILE MD 1 83 GLU H 1.800 . 5.000 3.976 3.246 4.374 . 0 0 "[ . 1 . 2]" 1
76 1 25 ILE MD 1 83 GLU HG2 1.800 . 5.000 3.227 2.685 3.897 . 0 0 "[ . 1 . 2]" 1
77 1 25 ILE MD 1 83 GLU HG3 1.800 . 5.000 2.584 1.942 3.667 . 0 0 "[ . 1 . 2]" 1
78 1 25 ILE MD 1 85 ALA HA 1.800 . 5.000 2.366 1.911 3.166 . 0 0 "[ . 1 . 2]" 1
79 1 25 ILE MD 1 85 ALA MB 1.800 . 5.000 2.574 1.807 3.373 . 0 0 "[ . 1 . 2]" 1
80 1 25 ILE MD 1 86 PRO HD2 1.800 . 5.000 2.788 2.115 3.864 . 0 0 "[ . 1 . 2]" 1
81 1 25 ILE MD 1 86 PRO HD3 1.800 . 5.000 2.967 2.257 4.139 . 0 0 "[ . 1 . 2]" 1
82 1 25 ILE MD 1 89 VAL MG1 1.800 . 5.000 3.777 2.894 4.457 . 0 0 "[ . 1 . 2]" 1
83 1 25 ILE MD 1 89 VAL MG2 1.800 . 5.000 2.597 1.942 3.030 . 0 0 "[ . 1 . 2]" 1
84 1 25 ILE MD 1 90 ILE MD 1.800 . 5.000 4.650 3.929 5.067 0.067 15 0 "[ . 1 . 2]" 1
85 1 25 ILE MD 1 93 ILE MD 1.800 . 5.000 3.939 3.321 4.630 . 0 0 "[ . 1 . 2]" 1
86 1 26 HIS H 1 46 THR H 1.800 . 5.000 2.952 2.714 3.444 . 0 0 "[ . 1 . 2]" 1
87 1 26 HIS H 1 47 ASP HA 1.800 . 5.000 3.305 2.456 3.745 . 0 0 "[ . 1 . 2]" 1
88 1 26 HIS HA 1 27 VAL H 1.800 . 3.500 2.141 2.119 2.163 . 0 0 "[ . 1 . 2]" 1
89 1 26 HIS HA 1 27 VAL MG2 1.800 . 5.000 3.544 3.352 3.757 . 0 0 "[ . 1 . 2]" 1
90 1 26 HIS HA 1 82 SER HA 1.800 . 5.000 2.743 2.363 3.740 . 0 0 "[ . 1 . 2]" 1
91 1 26 HIS HB2 1 27 VAL H 1.800 . 5.000 4.359 4.171 4.529 . 0 0 "[ . 1 . 2]" 1
92 1 26 HIS HB3 1 27 VAL H 1.800 . 5.000 3.601 3.241 3.823 . 0 0 "[ . 1 . 2]" 1
93 1 26 HIS QB 1 28 TYR QE 1.800 . 5.000 2.119 1.785 2.557 0.015 4 0 "[ . 1 . 2]" 1
94 1 26 HIS QB 1 79 PHE QE 1.800 . 5.000 2.115 1.792 2.857 0.008 10 0 "[ . 1 . 2]" 1
95 1 26 HIS HD2 1 47 ASP HA 1.800 . 5.000 3.587 1.933 5.039 0.039 10 0 "[ . 1 . 2]" 1
96 1 27 VAL H 1 27 VAL HB 1.800 . 3.500 2.574 2.512 2.673 . 0 0 "[ . 1 . 2]" 1
97 1 27 VAL H 1 27 VAL MG1 1.800 . 5.000 3.798 3.783 3.823 . 0 0 "[ . 1 . 2]" 1
98 1 27 VAL H 1 27 VAL MG2 1.800 . 3.500 2.211 2.082 2.359 . 0 0 "[ . 1 . 2]" 1
99 1 27 VAL H 1 79 PHE QD 1.800 . 5.000 4.154 3.618 5.012 0.012 8 0 "[ . 1 . 2]" 1
100 1 27 VAL H 1 79 PHE QE 1.800 . 5.000 3.194 2.596 3.827 . 0 0 "[ . 1 . 2]" 1
101 1 27 VAL H 1 81 HIS H 1.800 . 5.000 3.367 3.100 3.968 . 0 0 "[ . 1 . 2]" 1
102 1 27 VAL H 1 82 SER HA 1.800 . 5.000 3.021 2.670 3.439 . 0 0 "[ . 1 . 2]" 1
103 1 27 VAL HA 1 28 TYR H 1.800 . 2.900 2.151 2.113 2.183 . 0 0 "[ . 1 . 2]" 1
104 1 27 VAL HA 1 28 TYR QB 1.800 . 5.000 4.395 4.283 4.483 . 0 0 "[ . 1 . 2]" 1
105 1 27 VAL HA 1 45 PHE HA 1.800 . 5.000 3.030 2.792 3.229 . 0 0 "[ . 1 . 2]" 1
106 1 27 VAL HA 1 45 PHE QD 1.800 . 5.000 3.069 2.276 3.940 . 0 0 "[ . 1 . 2]" 1
107 1 27 VAL HA 1 46 THR H 1.800 . 5.000 4.096 3.741 4.410 . 0 0 "[ . 1 . 2]" 1
108 1 27 VAL HB 1 80 CYS QB 1.800 . 5.000 2.782 2.008 4.132 . 0 0 "[ . 1 . 2]" 1
109 1 27 VAL HB 1 81 HIS H 1.800 . 3.500 2.540 1.892 3.055 . 0 0 "[ . 1 . 2]" 1
110 1 27 VAL MG1 1 28 TYR H 1.800 . 5.000 3.126 2.857 3.323 . 0 0 "[ . 1 . 2]" 1
111 1 27 VAL MG2 1 28 TYR H 1.800 . 5.000 4.222 4.108 4.281 . 0 0 "[ . 1 . 2]" 1
112 1 27 VAL MG1 1 28 TYR HA 1.800 . 5.000 3.860 3.752 4.018 . 0 0 "[ . 1 . 2]" 1
113 1 27 VAL MG1 1 29 ASP H 1.800 . 5.000 3.457 2.916 4.067 . 0 0 "[ . 1 . 2]" 1
114 1 27 VAL MG1 1 29 ASP HA 1.800 . 5.000 3.866 3.535 4.398 . 0 0 "[ . 1 . 2]" 1
115 1 27 VAL MG1 1 43 ASP HA 1.800 . 5.000 3.595 2.707 4.686 . 0 0 "[ . 1 . 2]" 1
116 1 27 VAL MG1 1 43 ASP QB 1.800 . 5.000 2.317 1.992 2.824 . 0 0 "[ . 1 . 2]" 1
117 1 27 VAL MG1 1 44 VAL H 1.800 . 5.000 3.963 3.183 4.416 . 0 0 "[ . 1 . 2]" 1
118 1 27 VAL MG1 1 45 PHE HA 1.800 . 5.000 4.328 3.575 4.690 . 0 0 "[ . 1 . 2]" 1
119 1 27 VAL MG2 1 45 PHE HA 1.800 . 5.000 3.831 3.202 4.297 . 0 0 "[ . 1 . 2]" 1
120 1 27 VAL MG1 1 45 PHE QD 1.800 . 5.000 3.463 2.470 4.302 . 0 0 "[ . 1 . 2]" 1
121 1 27 VAL MG2 1 45 PHE QD 1.800 . 5.000 2.304 1.810 2.824 . 0 0 "[ . 1 . 2]" 1
122 1 27 VAL MG1 1 45 PHE QE 1.800 . 5.000 2.716 1.925 3.746 . 0 0 "[ . 1 . 2]" 1
123 1 27 VAL MG2 1 45 PHE QE 1.800 . 5.000 2.058 1.798 2.434 0.002 18 0 "[ . 1 . 2]" 1
124 1 27 VAL MG1 1 80 CYS QB 1.800 . 5.000 2.956 2.322 4.203 . 0 0 "[ . 1 . 2]" 1
125 1 27 VAL MG2 1 80 CYS QB 1.800 . 5.000 4.094 3.452 5.030 0.030 14 0 "[ . 1 . 2]" 1
126 1 27 VAL MG2 1 81 HIS HD2 1.800 . 5.000 3.343 2.557 5.020 0.020 5 0 "[ . 1 . 2]" 1
127 1 27 VAL MG1 1 81 HIS H 1.800 . 5.000 3.866 3.426 4.299 . 0 0 "[ . 1 . 2]" 1
128 1 27 VAL MG2 1 81 HIS H 1.800 . 5.000 3.811 3.232 4.223 . 0 0 "[ . 1 . 2]" 1
129 1 27 VAL MG2 1 82 SER HA 1.800 . 5.000 3.076 2.326 3.710 . 0 0 "[ . 1 . 2]" 1
130 1 27 VAL MG2 1 83 GLU H 1.800 . 5.000 3.329 2.662 3.909 . 0 0 "[ . 1 . 2]" 1
131 1 27 VAL MG2 1 83 GLU HG2 1.800 . 5.000 2.851 2.219 3.917 . 0 0 "[ . 1 . 2]" 1
132 1 27 VAL MG2 1 83 GLU HG3 1.800 . 5.000 3.900 3.181 4.691 . 0 0 "[ . 1 . 2]" 1
133 1 28 TYR HA 1 29 ASP H 1.800 . 3.500 2.160 2.054 2.275 . 0 0 "[ . 1 . 2]" 1
134 1 28 TYR HA 1 79 PHE HA 1.800 . 5.000 2.456 2.125 3.308 . 0 0 "[ . 1 . 2]" 1
135 1 28 TYR HA 1 80 CYS H 1.800 . 5.000 2.990 2.385 3.396 . 0 0 "[ . 1 . 2]" 1
136 1 28 TYR HA 1 80 CYS QB 1.800 . 5.000 4.458 3.331 5.023 0.023 13 0 "[ . 1 . 2]" 1
137 1 28 TYR HB2 1 44 VAL H 1.800 . 5.000 3.336 3.064 3.823 . 0 0 "[ . 1 . 2]" 1
138 1 28 TYR HB3 1 44 VAL H 1.800 . 5.000 4.330 3.815 4.834 . 0 0 "[ . 1 . 2]" 1
139 1 28 TYR HB2 1 44 VAL HB 1.800 . 5.000 1.985 1.775 2.447 0.025 2 0 "[ . 1 . 2]" 1
140 1 28 TYR HB3 1 44 VAL HB 1.800 . 5.000 3.387 2.922 3.780 . 0 0 "[ . 1 . 2]" 1
141 1 28 TYR QB 1 44 VAL MG2 1.800 . 5.000 3.164 2.974 3.483 . 0 0 "[ . 1 . 2]" 1
142 1 28 TYR HB2 1 54 ALA MB 1.800 . 5.000 3.353 2.959 4.085 . 0 0 "[ . 1 . 2]" 1
143 1 28 TYR HB3 1 54 ALA MB 1.800 . 5.000 3.512 2.618 4.376 . 0 0 "[ . 1 . 2]" 1
144 1 28 TYR QE 1 46 THR MG 1.800 . 5.000 3.303 2.013 4.602 . 0 0 "[ . 1 . 2]" 1
145 1 28 TYR QE 1 51 ASP HA 1.800 . 5.000 3.147 2.203 4.229 . 0 0 "[ . 1 . 2]" 1
146 1 28 TYR QD 1 54 ALA MB 1.800 . 5.000 2.961 2.757 3.397 . 0 0 "[ . 1 . 2]" 1
147 1 28 TYR QE 1 54 ALA MB 1.800 . 5.000 2.975 2.633 3.226 . 0 0 "[ . 1 . 2]" 1
148 1 29 ASP H 1 29 ASP HB2 1.800 . 3.500 2.598 2.328 3.594 0.094 18 0 "[ . 1 . 2]" 1
149 1 29 ASP H 1 29 ASP HB3 1.800 . 3.500 2.673 2.324 3.566 0.066 3 0 "[ . 1 . 2]" 1
150 1 29 ASP H 1 78 ARG H 1.800 . 5.000 3.858 3.532 4.617 . 0 0 "[ . 1 . 2]" 1
151 1 29 ASP H 1 78 ARG QB 1.800 . 5.000 3.930 3.034 5.018 0.018 7 0 "[ . 1 . 2]" 1
152 1 29 ASP H 1 79 PHE HA 1.800 . 5.000 3.594 2.957 4.847 . 0 0 "[ . 1 . 2]" 1
153 1 29 ASP H 1 80 CYS H 1.800 . 5.000 3.217 2.363 3.685 . 0 0 "[ . 1 . 2]" 1
154 1 29 ASP HA 1 30 THR H 1.800 . 2.900 2.172 2.112 2.229 . 0 0 "[ . 1 . 2]" 1
155 1 29 ASP HA 1 43 ASP HA 1.800 . 5.000 2.777 1.936 3.735 . 0 0 "[ . 1 . 2]" 1
156 1 29 ASP HA 1 44 VAL H 1.800 . 5.000 3.716 2.724 4.135 . 0 0 "[ . 1 . 2]" 1
157 1 29 ASP QB 1 78 ARG H 1.800 . 5.000 3.739 3.102 4.908 . 0 0 "[ . 1 . 2]" 1
158 1 29 ASP QB 1 78 ARG QB 1.800 . 5.000 3.001 1.794 4.897 0.006 11 0 "[ . 1 . 2]" 1
159 1 30 THR H 1 30 THR MG 1.800 . 5.000 3.835 3.783 3.872 . 0 0 "[ . 1 . 2]" 1
160 1 30 THR H 1 43 ASP HA 1.800 . 5.000 3.316 2.186 4.019 . 0 0 "[ . 1 . 2]" 1
161 1 30 THR HA 1 31 TYR H 1.800 . 2.900 2.131 2.111 2.177 . 0 0 "[ . 1 . 2]" 1
162 1 30 THR HA 1 77 CYS HA 1.800 . 5.000 2.108 1.794 2.831 0.006 16 0 "[ . 1 . 2]" 1
163 1 30 THR HA 1 77 CYS QB 1.800 . 5.000 3.648 3.089 4.453 . 0 0 "[ . 1 . 2]" 1
164 1 30 THR HA 1 78 ARG H 1.800 . 5.000 3.103 2.673 3.371 . 0 0 "[ . 1 . 2]" 1
165 1 30 THR HB 1 32 VAL MG2 1.800 . 5.000 3.381 2.833 3.885 . 0 0 "[ . 1 . 2]" 1
166 1 30 THR HB 1 42 PHE H 1.800 . 5.000 3.475 2.919 4.294 . 0 0 "[ . 1 . 2]" 1
167 1 30 THR HB 1 42 PHE QD 1.800 . 5.000 3.691 3.373 4.072 . 0 0 "[ . 1 . 2]" 1
168 1 30 THR HB 1 42 PHE QE 1.800 . 5.000 3.261 3.070 3.587 . 0 0 "[ . 1 . 2]" 1
169 1 30 THR HB 1 44 VAL MG2 1.800 . 5.000 3.073 2.717 3.572 . 0 0 "[ . 1 . 2]" 1
170 1 30 THR MG 1 31 TYR H 1.800 . 5.000 2.928 2.595 3.307 . 0 0 "[ . 1 . 2]" 1
171 1 30 THR MG 1 32 VAL HB 1.800 . 5.000 4.252 3.954 4.936 . 0 0 "[ . 1 . 2]" 1
172 1 30 THR MG 1 32 VAL MG2 1.800 . 5.000 2.001 1.801 2.552 . 0 0 "[ . 1 . 2]" 1
173 1 30 THR MG 1 42 PHE H 1.800 . 5.000 4.575 4.119 5.011 0.011 17 0 "[ . 1 . 2]" 1
174 1 30 THR MG 1 42 PHE QD 1.800 . 5.000 4.431 4.106 4.968 . 0 0 "[ . 1 . 2]" 1
175 1 30 THR MG 1 42 PHE QE 1.800 . 5.000 3.276 2.925 3.920 . 0 0 "[ . 1 . 2]" 1
176 1 30 THR MG 1 58 ALA HA 1.800 . 5.000 4.673 3.937 5.023 0.023 3 0 "[ . 1 . 2]" 1
177 1 30 THR MG 1 58 ALA MB 1.800 . 5.000 2.493 2.035 2.946 . 0 0 "[ . 1 . 2]" 1
178 1 30 THR MG 1 72 VAL HA 1.800 . 5.000 4.625 3.812 5.014 0.014 2 0 "[ . 1 . 2]" 1
179 1 30 THR MG 1 72 VAL MG1 1.800 . 5.000 2.584 2.311 3.038 . 0 0 "[ . 1 . 2]" 1
180 1 30 THR MG 1 76 GLU QB 1.800 . 5.000 3.150 2.630 3.610 . 0 0 "[ . 1 . 2]" 1
181 1 30 THR MG 1 77 CYS H 1.800 . 5.000 3.885 3.386 4.668 . 0 0 "[ . 1 . 2]" 1
182 1 30 THR MG 1 77 CYS HA 1.800 . 5.000 2.681 2.297 3.289 . 0 0 "[ . 1 . 2]" 1
183 1 30 THR MG 1 77 CYS QB 1.800 . 5.000 2.412 1.957 3.625 . 0 0 "[ . 1 . 2]" 1
184 1 30 THR MG 1 78 ARG H 1.800 . 5.000 4.436 4.063 4.906 . 0 0 "[ . 1 . 2]" 1
185 1 31 TYR H 1 31 TYR QD 1.800 . 5.000 2.695 2.352 3.033 . 0 0 "[ . 1 . 2]" 1
186 1 31 TYR H 1 76 GLU HA 1.800 . 5.000 3.514 2.989 4.112 . 0 0 "[ . 1 . 2]" 1
187 1 31 TYR H 1 76 GLU QB 1.800 . 5.000 3.327 2.861 4.075 . 0 0 "[ . 1 . 2]" 1
188 1 31 TYR H 1 77 CYS HA 1.800 . 5.000 3.382 2.854 3.751 . 0 0 "[ . 1 . 2]" 1
189 1 31 TYR HA 1 31 TYR QD 1.800 . 5.000 2.851 2.086 3.157 . 0 0 "[ . 1 . 2]" 1
190 1 31 TYR HA 1 32 VAL H 1.800 . 2.900 2.219 2.143 2.353 . 0 0 "[ . 1 . 2]" 1
191 1 31 TYR HA 1 32 VAL HB 1.800 . 5.000 4.748 4.590 4.902 . 0 0 "[ . 1 . 2]" 1
192 1 31 TYR HA 1 32 VAL MG2 1.800 . 5.000 3.925 3.702 4.172 . 0 0 "[ . 1 . 2]" 1
193 1 31 TYR HA 1 39 VAL MG1 1.800 . 5.000 3.322 2.816 3.854 . 0 0 "[ . 1 . 2]" 1
194 1 31 TYR HA 1 41 HIS HA 1.800 . 5.000 2.905 2.424 3.658 . 0 0 "[ . 1 . 2]" 1
195 1 31 TYR HA 1 41 HIS HD2 1.800 . 5.000 4.077 2.368 5.029 0.029 16 0 "[ . 1 . 2]" 1
196 1 31 TYR HA 1 42 PHE H 1.800 . 5.000 4.238 3.544 5.014 0.014 5 0 "[ . 1 . 2]" 1
197 1 31 TYR HB2 1 39 VAL MG1 1.800 . 5.000 4.254 3.625 5.016 0.016 1 0 "[ . 1 . 2]" 1
198 1 31 TYR HB3 1 39 VAL MG1 1.800 . 5.000 2.865 2.215 3.606 . 0 0 "[ . 1 . 2]" 1
199 1 31 TYR QD 1 32 VAL H 1.800 . 5.000 4.580 4.080 4.965 . 0 0 "[ . 1 . 2]" 1
200 1 31 TYR QD 1 39 VAL MG1 1.800 . 5.000 2.694 1.897 3.457 . 0 0 "[ . 1 . 2]" 1
201 1 31 TYR QD 1 41 HIS QB 1.800 . 5.000 3.350 1.952 5.019 0.019 19 0 "[ . 1 . 2]" 1
202 1 31 TYR QE 1 39 VAL MG1 1.800 . 5.000 4.162 2.652 5.033 0.033 3 0 "[ . 1 . 2]" 1
203 1 31 TYR QE 1 41 HIS QB 1.800 . 5.000 3.733 2.713 5.000 . 0 0 "[ . 1 . 2]" 1
204 1 32 VAL H 1 32 VAL MG1 1.800 . 5.000 3.819 3.790 3.857 . 0 0 "[ . 1 . 2]" 1
205 1 32 VAL H 1 32 VAL MG2 1.800 . 5.000 2.539 2.266 2.892 . 0 0 "[ . 1 . 2]" 1
206 1 32 VAL H 1 39 VAL HA 1.800 . 5.000 4.819 4.255 5.021 0.021 4 0 "[ . 1 . 2]" 1
207 1 32 VAL H 1 39 VAL MG1 1.800 . 5.000 3.578 3.292 3.998 . 0 0 "[ . 1 . 2]" 1
208 1 32 VAL H 1 40 MET H 1.800 . 5.000 3.597 3.102 4.033 . 0 0 "[ . 1 . 2]" 1
209 1 32 VAL H 1 40 MET QB 1.800 . 5.000 3.242 2.441 4.108 . 0 0 "[ . 1 . 2]" 1
210 1 32 VAL H 1 41 HIS HA 1.800 . 5.000 3.496 2.554 4.498 . 0 0 "[ . 1 . 2]" 1
211 1 32 VAL HA 1 33 LYS H 1.800 . 2.900 2.140 2.101 2.183 . 0 0 "[ . 1 . 2]" 1
212 1 32 VAL HA 1 76 GLU QB 1.800 . 5.000 3.746 3.370 4.282 . 0 0 "[ . 1 . 2]" 1
213 1 32 VAL HA 1 76 GLU QG 1.800 . 5.000 4.126 2.882 5.002 0.002 16 0 "[ . 1 . 2]" 1
214 1 32 VAL HB 1 33 LYS H 1.800 . 5.000 4.351 4.254 4.449 . 0 0 "[ . 1 . 2]" 1
215 1 32 VAL HB 1 40 MET QB 1.800 . 5.000 2.115 1.742 3.055 0.058 11 0 "[ . 1 . 2]" 1
216 1 32 VAL HB 1 42 PHE QE 1.800 . 5.000 2.758 2.130 3.858 . 0 0 "[ . 1 . 2]" 1
217 1 32 VAL HB 1 62 LEU MD2 1.800 . 5.000 3.515 3.029 4.017 . 0 0 "[ . 1 . 2]" 1
218 1 32 VAL HB 1 70 ALA MB 1.800 . 5.000 4.712 4.289 5.023 0.023 9 0 "[ . 1 . 2]" 1
219 1 32 VAL MG1 1 33 LYS H 1.800 . 5.000 3.058 2.825 3.418 . 0 0 "[ . 1 . 2]" 1
220 1 32 VAL MG1 1 33 LYS QB 1.800 . 5.000 4.386 4.169 4.667 . 0 0 "[ . 1 . 2]" 1
221 1 32 VAL MG1 1 34 ALA HA 1.800 . 5.000 3.568 2.928 4.145 . 0 0 "[ . 1 . 2]" 1
222 1 32 VAL MG2 1 40 MET QB 1.800 . 5.000 3.481 2.973 4.313 . 0 0 "[ . 1 . 2]" 1
223 1 32 VAL MG1 1 40 MET ME 1.800 . 5.000 4.179 2.293 5.013 0.013 2 0 "[ . 1 . 2]" 1
224 1 32 VAL MG2 1 40 MET ME 1.800 . 5.000 4.487 3.075 5.022 0.022 14 0 "[ . 1 . 2]" 1
225 1 32 VAL MG2 1 42 PHE QD 1.800 . 5.000 4.000 3.656 4.807 . 0 0 "[ . 1 . 2]" 1
226 1 32 VAL MG1 1 42 PHE QE 1.800 . 5.000 3.667 3.203 4.746 . 0 0 "[ . 1 . 2]" 1
227 1 32 VAL MG2 1 42 PHE QE 1.800 . 5.000 2.316 1.975 3.412 . 0 0 "[ . 1 . 2]" 1
228 1 32 VAL MG1 1 62 LEU MD2 1.800 . 5.000 2.236 1.845 3.427 . 0 0 "[ . 1 . 2]" 1
229 1 32 VAL MG2 1 62 LEU MD2 1.800 . 5.000 2.350 1.851 3.414 . 0 0 "[ . 1 . 2]" 1
230 1 32 VAL MG1 1 67 GLU QB 1.800 . 5.000 3.813 3.060 5.001 0.001 12 0 "[ . 1 . 2]" 1
231 1 32 VAL MG1 1 70 ALA HA 1.800 . 5.000 4.632 4.060 5.024 0.024 18 0 "[ . 1 . 2]" 1
232 1 32 VAL MG1 1 70 ALA MB 1.800 . 5.000 2.209 1.832 2.518 . 0 0 "[ . 1 . 2]" 1
233 1 32 VAL MG2 1 70 ALA MB 1.800 . 5.000 3.664 3.034 4.225 . 0 0 "[ . 1 . 2]" 1
234 1 32 VAL MG2 1 72 VAL HA 1.800 . 5.000 4.531 3.707 4.999 . 0 0 "[ . 1 . 2]" 1
235 1 32 VAL MG1 1 72 VAL MG2 1.800 . 5.000 3.098 2.502 3.838 . 0 0 "[ . 1 . 2]" 1
236 1 32 VAL MG2 1 72 VAL MG2 1.800 . 5.000 2.437 2.017 3.258 . 0 0 "[ . 1 . 2]" 1
237 1 32 VAL MG2 1 76 GLU HB2 1.800 . 5.000 4.731 3.681 5.028 0.028 6 0 "[ . 1 . 2]" 1
238 1 32 VAL MG2 1 76 GLU HB3 1.800 . 5.000 3.850 2.619 4.311 . 0 0 "[ . 1 . 2]" 1
239 1 33 LYS HA 1 39 VAL H 1.800 . 5.000 4.776 4.263 5.055 0.055 1 0 "[ . 1 . 2]" 1
240 1 33 LYS HA 1 39 VAL HA 1.800 . 5.000 2.335 1.797 2.700 0.003 15 0 "[ . 1 . 2]" 1
241 1 33 LYS HA 1 39 VAL MG1 1.800 . 5.000 3.035 2.228 3.954 . 0 0 "[ . 1 . 2]" 1
242 1 33 LYS HA 1 39 VAL MG2 1.800 . 5.000 2.957 2.171 3.845 . 0 0 "[ . 1 . 2]" 1
243 1 33 LYS QB 1 33 LYS QE 1.800 . 5.000 3.334 1.820 3.848 . 0 0 "[ . 1 . 2]" 1
244 1 33 LYS QB 1 39 VAL MG2 1.800 . 5.000 3.376 2.563 4.342 . 0 0 "[ . 1 . 2]" 1
245 1 33 LYS QG 1 39 VAL HA 1.800 . 5.000 3.699 2.861 5.068 0.068 6 0 "[ . 1 . 2]" 1
246 1 33 LYS QG 1 39 VAL MG2 1.800 . 5.000 2.666 1.789 4.369 0.011 15 0 "[ . 1 . 2]" 1
247 1 33 LYS QE 1 39 VAL MG1 1.800 . 5.000 3.959 2.545 5.019 0.019 10 0 "[ . 1 . 2]" 1
248 1 33 LYS QD 1 39 VAL MG1 1.800 . 5.000 4.091 1.970 5.001 0.001 7 0 "[ . 1 . 2]" 1
249 1 33 LYS QG 1 39 VAL MG1 1.800 . 5.000 2.830 1.848 3.809 . 0 0 "[ . 1 . 2]" 1
250 1 33 LYS QE 1 39 VAL MG2 1.800 . 5.000 3.846 2.229 5.012 0.012 1 0 "[ . 1 . 2]" 1
251 1 34 ALA H 1 35 LYS H 1.800 . 5.000 4.556 4.146 4.631 . 0 0 "[ . 1 . 2]" 1
252 1 34 ALA H 1 38 HIS H 1.800 . 5.000 4.017 2.952 5.033 0.033 4 0 "[ . 1 . 2]" 1
253 1 34 ALA H 1 39 VAL HA 1.800 . 5.000 2.860 2.107 3.545 . 0 0 "[ . 1 . 2]" 1
254 1 34 ALA H 1 39 VAL MG2 1.800 . 5.000 4.122 2.904 4.977 . 0 0 "[ . 1 . 2]" 1
255 1 34 ALA H 1 40 MET H 1.800 . 5.000 3.115 2.522 3.493 . 0 0 "[ . 1 . 2]" 1
256 1 34 ALA HA 1 36 ASP H 1.800 . 5.000 4.331 3.792 5.002 0.002 1 0 "[ . 1 . 2]" 1
257 1 34 ALA HA 1 37 GLY H 1.800 . 5.000 4.624 4.032 5.017 0.017 3 0 "[ . 1 . 2]" 1
258 1 34 ALA HA 1 70 ALA MB 1.800 . 5.000 3.894 2.818 4.797 . 0 0 "[ . 1 . 2]" 1
259 1 34 ALA MB 1 35 LYS QB 1.800 . 5.000 4.252 3.658 5.032 0.032 13 0 "[ . 1 . 2]" 1
260 1 34 ALA MB 1 36 ASP H 1.800 . 5.000 3.047 2.402 3.973 . 0 0 "[ . 1 . 2]" 1
261 1 34 ALA MB 1 38 HIS H 1.800 . 5.000 2.548 1.778 3.905 0.022 6 0 "[ . 1 . 2]" 1
262 1 34 ALA MB 1 40 MET HG2 1.800 . 5.000 3.614 2.226 5.047 0.047 5 0 "[ . 1 . 2]" 1
263 1 34 ALA MB 1 40 MET HG3 1.800 . 5.000 3.262 2.534 4.928 . 0 0 "[ . 1 . 2]" 1
264 1 34 ALA MB 1 40 MET ME 1.800 . 5.000 4.216 2.322 5.035 0.035 1 0 "[ . 1 . 2]" 1
265 1 35 LYS H 1 35 LYS HG2 1.800 . 5.000 3.293 1.895 4.594 . 0 0 "[ . 1 . 2]" 1
266 1 35 LYS H 1 35 LYS HG3 1.800 . 5.000 3.254 1.891 4.492 . 0 0 "[ . 1 . 2]" 1
267 1 35 LYS H 1 35 LYS QD 1.800 . 5.000 3.804 1.748 4.775 0.052 13 0 "[ . 1 . 2]" 1
268 1 35 LYS H 1 36 ASP H 1.800 . 5.000 2.714 2.488 3.030 . 0 0 "[ . 1 . 2]" 1
269 1 35 LYS H 1 37 GLY H 1.800 . 5.000 3.908 3.369 4.456 . 0 0 "[ . 1 . 2]" 1
270 1 35 LYS HA 1 35 LYS QD 1.800 . 5.000 3.596 1.923 4.496 . 0 0 "[ . 1 . 2]" 1
271 1 35 LYS HA 1 35 LYS QE 1.800 . 5.000 4.422 3.831 5.125 0.125 13 0 "[ . 1 . 2]" 1
272 1 35 LYS HA 1 37 GLY H 1.800 . 5.000 4.230 3.240 4.986 . 0 0 "[ . 1 . 2]" 1
273 1 35 LYS QB 1 35 LYS QD 1.800 . 5.000 2.252 2.094 2.393 . 0 0 "[ . 1 . 2]" 1
274 1 35 LYS QB 1 35 LYS QE 1.800 . 5.000 3.083 1.887 3.870 . 0 0 "[ . 1 . 2]" 1
275 1 35 LYS HB3 1 35 LYS QE 1.800 . 5.000 3.587 2.002 4.520 . 0 0 "[ . 1 . 2]" 1
276 1 35 LYS QB 1 36 ASP H 1.800 . 4.500 2.717 2.035 3.752 . 0 0 "[ . 1 . 2]" 1
277 1 35 LYS QE 1 35 LYS HG2 1.800 . 5.000 2.768 2.294 3.499 . 0 0 "[ . 1 . 2]" 1
278 1 35 LYS HG2 1 36 ASP H 1.800 . 5.000 4.154 2.520 5.038 0.038 16 0 "[ . 1 . 2]" 1
279 1 35 LYS HG3 1 36 ASP H 1.800 . 5.000 4.076 2.270 5.031 0.031 11 0 "[ . 1 . 2]" 1
280 1 35 LYS QD 1 36 ASP H 1.800 . 5.000 4.461 2.235 4.993 . 0 0 "[ . 1 . 2]" 1
281 1 36 ASP H 1 37 GLY QA 1.800 . 5.000 4.100 3.543 4.594 . 0 0 "[ . 1 . 2]" 1
282 1 36 ASP HA 1 37 GLY H 1.800 . 3.500 3.244 2.576 3.499 . 0 0 "[ . 1 . 2]" 1
283 1 37 GLY H 1 38 HIS H 1.800 . 3.500 2.847 2.184 3.573 0.073 15 0 "[ . 1 . 2]" 1
284 1 38 HIS H 1 38 HIS QB 1.800 . 3.500 2.952 2.427 3.432 . 0 0 "[ . 1 . 2]" 1
285 1 38 HIS H 1 39 VAL H 1.800 . 5.000 4.326 4.051 4.601 . 0 0 "[ . 1 . 2]" 1
286 1 38 HIS HA 1 39 VAL H 1.800 . 2.900 2.313 2.133 2.709 . 0 0 "[ . 1 . 2]" 1
287 1 38 HIS HA 1 39 VAL MG2 1.800 . 5.000 3.556 3.300 3.733 . 0 0 "[ . 1 . 2]" 1
288 1 38 HIS QB 1 39 VAL H 1.800 . 3.500 3.038 1.893 3.578 0.078 7 0 "[ . 1 . 2]" 1
289 1 38 HIS HD2 1 39 VAL H 1.800 . 5.000 3.876 3.007 5.010 0.010 6 0 "[ . 1 . 2]" 1
290 1 38 HIS HD2 1 105 GLY HA2 1.800 . 5.000 3.760 2.626 5.028 0.028 15 0 "[ . 1 . 2]" 1
291 1 38 HIS HD2 1 105 GLY HA3 1.800 . 5.000 4.010 2.500 5.015 0.015 5 0 "[ . 1 . 2]" 1
292 1 39 VAL H 1 39 VAL MG2 1.800 . 5.000 2.158 1.960 2.371 . 0 0 "[ . 1 . 2]" 1
293 1 39 VAL HB 1 40 MET H 1.800 . 5.000 4.342 4.198 4.433 . 0 0 "[ . 1 . 2]" 1
294 1 39 VAL MG1 1 40 MET H 1.800 . 5.000 3.123 2.928 3.514 . 0 0 "[ . 1 . 2]" 1
295 1 39 VAL MG1 1 41 HIS H 1.800 . 5.000 3.949 3.076 4.596 . 0 0 "[ . 1 . 2]" 1
296 1 39 VAL MG1 1 41 HIS QB 1.800 . 5.000 3.409 2.370 4.713 . 0 0 "[ . 1 . 2]" 1
297 1 40 MET HA 1 41 HIS H 1.800 . 2.900 2.183 2.105 2.266 . 0 0 "[ . 1 . 2]" 1
298 1 40 MET QB 1 42 PHE QD 1.800 . 5.000 2.742 2.096 4.453 . 0 0 "[ . 1 . 2]" 1
299 1 40 MET QB 1 42 PHE QE 1.800 . 5.000 2.873 2.074 4.654 . 0 0 "[ . 1 . 2]" 1
300 1 40 MET QG 1 41 HIS H 1.800 . 5.000 4.380 3.008 4.842 . 0 0 "[ . 1 . 2]" 1
301 1 40 MET ME 1 42 PHE QD 1.800 . 5.000 3.356 2.165 5.003 0.003 13 0 "[ . 1 . 2]" 1
302 1 40 MET ME 1 42 PHE QE 1.800 . 5.000 3.481 2.216 4.842 . 0 0 "[ . 1 . 2]" 1
303 1 40 MET ME 1 61 TRP HZ2 1.800 . 5.000 4.343 3.599 5.016 0.016 13 0 "[ . 1 . 2]" 1
304 1 40 MET ME 1 61 TRP HZ3 1.800 . 5.000 2.771 2.030 3.720 . 0 0 "[ . 1 . 2]" 1
305 1 40 MET ME 1 61 TRP HH2 1.800 . 5.000 2.571 1.860 3.272 . 0 0 "[ . 1 . 2]" 1
306 1 40 MET ME 1 62 LEU MD2 1.800 . 5.000 3.513 2.248 4.757 . 0 0 "[ . 1 . 2]" 1
307 1 40 MET ME 1 65 ILE MD 1.800 . 5.000 2.803 2.109 4.041 . 0 0 "[ . 1 . 2]" 1
308 1 40 MET ME 1 65 ILE MG 1.800 . 5.000 4.426 3.871 5.008 0.008 14 0 "[ . 1 . 2]" 1
309 1 41 HIS H 1 105 GLY QA 1.800 . 5.000 3.474 1.901 4.980 . 0 0 "[ . 1 . 2]" 1
310 1 41 HIS HA 1 41 HIS HD2 1.800 . 5.000 3.310 2.424 4.497 . 0 0 "[ . 1 . 2]" 1
311 1 41 HIS HA 1 42 PHE H 1.800 . 2.900 2.155 2.058 2.293 . 0 0 "[ . 1 . 2]" 1
312 1 42 PHE H 1 42 PHE QD 1.800 . 5.000 2.965 2.753 3.226 . 0 0 "[ . 1 . 2]" 1
313 1 42 PHE H 1 103 MET ME 1.800 . 5.000 4.596 3.521 5.073 0.073 10 0 "[ . 1 . 2]" 1
314 1 42 PHE HA 1 43 ASP H 1.800 . 2.900 2.337 2.150 2.497 . 0 0 "[ . 1 . 2]" 1
315 1 42 PHE HA 1 100 ILE MG 1.800 . 5.000 4.877 4.521 5.033 0.033 8 0 "[ . 1 . 2]" 1
316 1 42 PHE HA 1 102 LYS HA 1.800 . 5.000 3.428 2.436 4.255 . 0 0 "[ . 1 . 2]" 1
317 1 42 PHE HA 1 103 MET H 1.800 . 5.000 2.171 1.770 2.724 0.030 3 0 "[ . 1 . 2]" 1
318 1 42 PHE HA 1 103 MET ME 1.800 . 5.000 3.391 2.697 4.187 . 0 0 "[ . 1 . 2]" 1
319 1 42 PHE HB2 1 43 ASP H 1.800 . 5.000 2.619 2.208 3.146 . 0 0 "[ . 1 . 2]" 1
320 1 42 PHE HB3 1 43 ASP H 1.800 . 5.000 3.801 3.534 4.097 . 0 0 "[ . 1 . 2]" 1
321 1 42 PHE HB2 1 100 ILE MG 1.800 . 5.000 2.768 2.480 2.961 . 0 0 "[ . 1 . 2]" 1
322 1 42 PHE HB3 1 100 ILE MG 1.800 . 5.000 3.680 3.541 3.901 . 0 0 "[ . 1 . 2]" 1
323 1 42 PHE HB2 1 102 LYS HA 1.800 . 5.000 2.724 2.318 3.552 . 0 0 "[ . 1 . 2]" 1
324 1 42 PHE HB3 1 102 LYS HA 1.800 . 5.000 2.444 1.796 3.190 0.004 19 0 "[ . 1 . 2]" 1
325 1 42 PHE QB 1 103 MET H 1.800 . 5.000 2.681 2.322 3.267 . 0 0 "[ . 1 . 2]" 1
326 1 42 PHE QD 1 43 ASP H 1.800 . 5.000 3.707 3.382 4.241 . 0 0 "[ . 1 . 2]" 1
327 1 42 PHE QD 1 44 VAL MG2 1.800 . 5.000 2.505 2.358 2.942 . 0 0 "[ . 1 . 2]" 1
328 1 42 PHE QD 1 61 TRP HZ3 1.800 . 5.000 3.579 3.086 4.057 . 0 0 "[ . 1 . 2]" 1
329 1 42 PHE QD 1 100 ILE MG 1.800 . 5.000 2.267 2.102 2.473 . 0 0 "[ . 1 . 2]" 1
330 1 42 PHE QD 1 100 ILE MD 1.800 . 5.000 3.316 2.439 4.913 . 0 0 "[ . 1 . 2]" 1
331 1 42 PHE QD 1 101 TYR H 1.800 . 5.000 3.965 3.741 4.349 . 0 0 "[ . 1 . 2]" 1
332 1 42 PHE QD 1 102 LYS HA 1.800 . 5.000 4.286 3.887 5.002 0.002 18 0 "[ . 1 . 2]" 1
333 1 42 PHE QE 1 44 VAL MG2 1.800 . 5.000 2.164 1.955 2.637 . 0 0 "[ . 1 . 2]" 1
334 1 42 PHE QE 1 58 ALA HA 1.800 . 5.000 3.388 2.704 4.056 . 0 0 "[ . 1 . 2]" 1
335 1 42 PHE QE 1 58 ALA MB 1.800 . 5.000 2.903 2.415 3.540 . 0 0 "[ . 1 . 2]" 1
336 1 42 PHE QE 1 61 TRP HZ3 1.800 . 5.000 2.793 2.439 3.169 . 0 0 "[ . 1 . 2]" 1
337 1 42 PHE QE 1 62 LEU MD1 1.800 . 5.000 4.132 3.385 4.749 . 0 0 "[ . 1 . 2]" 1
338 1 42 PHE QE 1 62 LEU MD2 1.800 . 5.000 2.972 2.182 3.810 . 0 0 "[ . 1 . 2]" 1
339 1 42 PHE QE 1 100 ILE MD 1.800 . 5.000 2.881 2.090 4.335 . 0 0 "[ . 1 . 2]" 1
340 1 42 PHE HZ 1 58 ALA MB 1.800 . 5.000 2.805 1.997 3.544 . 0 0 "[ . 1 . 2]" 1
341 1 42 PHE HZ 1 62 LEU HG 1.800 . 5.000 3.611 2.964 4.338 . 0 0 "[ . 1 . 2]" 1
342 1 42 PHE HZ 1 62 LEU MD1 1.800 . 5.000 3.509 2.394 4.262 . 0 0 "[ . 1 . 2]" 1
343 1 43 ASP H 1 100 ILE MG 1.800 . 5.000 4.398 4.061 4.885 . 0 0 "[ . 1 . 2]" 1
344 1 43 ASP H 1 101 TYR H 1.800 . 5.000 3.542 3.302 3.839 . 0 0 "[ . 1 . 2]" 1
345 1 43 ASP H 1 101 TYR QB 1.800 . 5.000 3.039 2.463 3.490 . 0 0 "[ . 1 . 2]" 1
346 1 43 ASP H 1 101 TYR QD 1.800 . 5.000 3.296 2.603 3.734 . 0 0 "[ . 1 . 2]" 1
347 1 43 ASP H 1 103 MET HA 1.800 . 5.000 4.942 4.322 5.100 0.100 6 0 "[ . 1 . 2]" 1
348 1 43 ASP H 1 103 MET ME 1.800 . 5.000 3.711 2.797 4.863 . 0 0 "[ . 1 . 2]" 1
349 1 43 ASP HA 1 44 VAL H 1.800 . 2.900 2.147 2.101 2.282 . 0 0 "[ . 1 . 2]" 1
350 1 43 ASP HA 1 44 VAL MG2 1.800 . 5.000 3.656 3.168 3.891 . 0 0 "[ . 1 . 2]" 1
351 1 43 ASP QB 1 45 PHE QE 1.800 . 5.000 3.040 2.368 4.790 . 0 0 "[ . 1 . 2]" 1
352 1 43 ASP QB 1 101 TYR QB 1.800 . 5.000 2.509 1.778 4.485 0.022 12 0 "[ . 1 . 2]" 1
353 1 43 ASP QB 1 101 TYR QD 1.800 . 5.000 3.000 1.797 4.930 0.003 13 0 "[ . 1 . 2]" 1
354 1 44 VAL H 1 44 VAL MG2 1.800 . 5.000 2.328 2.104 2.570 . 0 0 "[ . 1 . 2]" 1
355 1 44 VAL HA 1 45 PHE H 1.800 . 2.900 2.160 2.130 2.194 . 0 0 "[ . 1 . 2]" 1
356 1 44 VAL HA 1 100 ILE HA 1.800 . 5.000 2.726 2.283 3.050 . 0 0 "[ . 1 . 2]" 1
357 1 44 VAL HA 1 100 ILE QG 1.800 . 5.000 4.163 2.730 4.779 . 0 0 "[ . 1 . 2]" 1
358 1 44 VAL HA 1 100 ILE MD 1.800 . 5.000 2.904 2.165 4.071 . 0 0 "[ . 1 . 2]" 1
359 1 44 VAL HB 1 46 THR MG 1.800 . 5.000 4.101 3.548 5.039 0.039 19 0 "[ . 1 . 2]" 1
360 1 44 VAL HB 1 54 ALA MB 1.800 . 5.000 3.877 2.857 4.513 . 0 0 "[ . 1 . 2]" 1
361 1 44 VAL MG1 1 45 PHE H 1.800 . 5.000 3.166 2.965 3.339 . 0 0 "[ . 1 . 2]" 1
362 1 44 VAL MG2 1 45 PHE H 1.800 . 5.000 4.213 4.130 4.301 . 0 0 "[ . 1 . 2]" 1
363 1 44 VAL MG1 1 46 THR H 1.800 . 5.000 3.954 3.741 4.101 . 0 0 "[ . 1 . 2]" 1
364 1 44 VAL MG1 1 46 THR HB 1.800 . 5.000 3.818 2.566 4.747 . 0 0 "[ . 1 . 2]" 1
365 1 44 VAL MG1 1 46 THR MG 1.800 . 5.000 2.400 1.790 3.271 0.010 12 0 "[ . 1 . 2]" 1
366 1 44 VAL MG1 1 54 ALA HA 1.800 . 5.000 3.447 2.630 4.190 . 0 0 "[ . 1 . 2]" 1
367 1 44 VAL MG1 1 54 ALA MB 1.800 . 5.000 3.265 2.447 3.912 . 0 0 "[ . 1 . 2]" 1
368 1 44 VAL MG1 1 57 PHE H 1.800 . 5.000 4.932 4.702 5.034 0.034 1 0 "[ . 1 . 2]" 1
369 1 44 VAL MG1 1 57 PHE HB2 1.800 . 5.000 3.113 2.764 3.587 . 0 0 "[ . 1 . 2]" 1
370 1 44 VAL MG1 1 57 PHE HB3 1.800 . 5.000 3.529 3.184 4.152 . 0 0 "[ . 1 . 2]" 1
371 1 44 VAL MG1 1 57 PHE QD 1.800 . 5.000 3.568 2.920 4.607 . 0 0 "[ . 1 . 2]" 1
372 1 44 VAL MG1 1 58 ALA H 1.800 . 5.000 3.929 3.618 4.405 . 0 0 "[ . 1 . 2]" 1
373 1 44 VAL MG2 1 58 ALA H 1.800 . 5.000 4.131 3.715 4.460 . 0 0 "[ . 1 . 2]" 1
374 1 44 VAL MG2 1 58 ALA HA 1.800 . 5.000 3.483 3.024 3.748 . 0 0 "[ . 1 . 2]" 1
375 1 44 VAL MG1 1 58 ALA MB 1.800 . 5.000 3.435 2.725 4.270 . 0 0 "[ . 1 . 2]" 1
376 1 44 VAL MG2 1 58 ALA MB 1.800 . 5.000 2.448 2.064 3.072 . 0 0 "[ . 1 . 2]" 1
377 1 44 VAL MG1 1 98 TYR HA 1.800 . 5.000 4.139 3.554 4.773 . 0 0 "[ . 1 . 2]" 1
378 1 44 VAL MG1 1 98 TYR HB2 1.800 . 5.000 2.749 2.285 3.361 . 0 0 "[ . 1 . 2]" 1
379 1 44 VAL MG1 1 98 TYR HB3 1.800 . 5.000 3.747 3.329 4.441 . 0 0 "[ . 1 . 2]" 1
380 1 44 VAL MG1 1 98 TYR QD 1.800 . 5.000 3.481 2.759 4.422 . 0 0 "[ . 1 . 2]" 1
381 1 44 VAL MG1 1 99 PHE H 1.800 . 5.000 3.541 2.989 4.050 . 0 0 "[ . 1 . 2]" 1
382 1 44 VAL MG2 1 100 ILE HA 1.800 . 5.000 3.447 2.942 3.901 . 0 0 "[ . 1 . 2]" 1
383 1 44 VAL MG1 1 100 ILE QG 1.800 . 5.000 3.643 2.487 4.159 . 0 0 "[ . 1 . 2]" 1
384 1 44 VAL MG2 1 100 ILE QG 1.800 . 5.000 3.419 1.787 4.261 0.013 1 0 "[ . 1 . 2]" 1
385 1 44 VAL MG2 1 100 ILE MG 1.800 . 5.000 3.367 3.027 3.740 . 0 0 "[ . 1 . 2]" 1
386 1 44 VAL MG1 1 100 ILE MD 1.800 . 5.000 2.363 1.932 3.151 . 0 0 "[ . 1 . 2]" 1
387 1 44 VAL MG2 1 100 ILE MD 1.800 . 5.000 2.355 1.956 3.458 . 0 0 "[ . 1 . 2]" 1
388 1 45 PHE H 1 45 PHE QD 1.800 . 5.000 3.046 2.635 3.446 . 0 0 "[ . 1 . 2]" 1
389 1 45 PHE H 1 99 PHE H 1.800 . 5.000 3.207 3.030 3.368 . 0 0 "[ . 1 . 2]" 1
390 1 45 PHE H 1 99 PHE QB 1.800 . 5.000 3.303 2.993 3.733 . 0 0 "[ . 1 . 2]" 1
391 1 45 PHE H 1 100 ILE HA 1.800 . 5.000 3.578 3.124 3.897 . 0 0 "[ . 1 . 2]" 1
392 1 45 PHE H 1 100 ILE MD 1.800 . 5.000 4.005 3.347 4.560 . 0 0 "[ . 1 . 2]" 1
393 1 45 PHE HA 1 45 PHE QD 1.800 . 5.000 2.417 2.012 2.747 . 0 0 "[ . 1 . 2]" 1
394 1 45 PHE HA 1 46 THR H 1.800 . 2.900 2.147 2.114 2.183 . 0 0 "[ . 1 . 2]" 1
395 1 45 PHE HB2 1 46 THR H 1.800 . 5.000 4.354 4.276 4.449 . 0 0 "[ . 1 . 2]" 1
396 1 45 PHE HB3 1 46 THR H 1.800 . 5.000 3.584 3.433 3.753 . 0 0 "[ . 1 . 2]" 1
397 1 45 PHE HB2 1 89 VAL MG2 1.800 . 5.000 4.408 3.878 5.011 0.011 1 0 "[ . 1 . 2]" 1
398 1 45 PHE QB 1 89 VAL MG1 1.800 . 5.000 3.961 2.853 4.656 . 0 0 "[ . 1 . 2]" 1
399 1 45 PHE HB3 1 89 VAL MG2 1.800 . 5.000 3.845 3.208 4.265 . 0 0 "[ . 1 . 2]" 1
400 1 45 PHE HB2 1 93 ILE MD 1.800 . 5.000 2.782 2.230 3.496 . 0 0 "[ . 1 . 2]" 1
401 1 45 PHE HB3 1 93 ILE MD 1.800 . 5.000 2.319 1.817 2.930 . 0 0 "[ . 1 . 2]" 1
402 1 45 PHE QB 1 99 PHE H 1.800 . 5.000 3.184 2.767 3.498 . 0 0 "[ . 1 . 2]" 1
403 1 45 PHE QB 1 99 PHE QB 1.800 . 5.000 1.892 1.784 2.203 0.016 15 0 "[ . 1 . 2]" 1
404 1 45 PHE QD 1 46 THR H 1.800 . 5.000 4.078 3.902 4.246 . 0 0 "[ . 1 . 2]" 1
405 1 45 PHE QD 1 89 VAL MG1 1.800 . 5.000 3.535 2.295 4.562 . 0 0 "[ . 1 . 2]" 1
406 1 45 PHE QD 1 89 VAL MG2 1.800 . 5.000 4.093 3.347 4.412 . 0 0 "[ . 1 . 2]" 1
407 1 45 PHE QD 1 93 ILE MD 1.800 . 5.000 3.924 3.427 4.619 . 0 0 "[ . 1 . 2]" 1
408 1 45 PHE QD 1 99 PHE QB 1.800 . 5.000 2.795 2.367 3.238 . 0 0 "[ . 1 . 2]" 1
409 1 45 PHE QE 1 89 VAL MG2 1.800 . 5.000 4.819 4.126 5.026 0.026 20 0 "[ . 1 . 2]" 1
410 1 46 THR H 1 46 THR MG 1.800 . 5.000 2.846 2.232 3.910 . 0 0 "[ . 1 . 2]" 1
411 1 46 THR H 1 47 ASP H 1.800 . 5.000 4.395 4.277 4.466 . 0 0 "[ . 1 . 2]" 1
412 1 46 THR H 1 93 ILE MD 1.800 . 5.000 3.878 3.523 4.373 . 0 0 "[ . 1 . 2]" 1
413 1 46 THR HA 1 93 ILE QG 1.800 . 5.000 3.554 2.372 5.015 0.015 19 0 "[ . 1 . 2]" 1
414 1 46 THR HA 1 93 ILE MG 1.800 . 5.000 2.702 2.155 3.792 . 0 0 "[ . 1 . 2]" 1
415 1 46 THR HA 1 93 ILE MD 1.800 . 5.000 2.775 1.804 3.526 . 0 0 "[ . 1 . 2]" 1
416 1 46 THR HA 1 98 TYR HA 1.800 . 5.000 3.022 2.145 3.552 . 0 0 "[ . 1 . 2]" 1
417 1 46 THR HA 1 99 PHE H 1.800 . 5.000 3.898 3.531 4.326 . 0 0 "[ . 1 . 2]" 1
418 1 46 THR HB 1 47 ASP H 1.800 . 5.000 3.376 2.468 4.056 . 0 0 "[ . 1 . 2]" 1
419 1 46 THR HB 1 48 VAL H 1.800 . 5.000 3.369 2.073 4.386 . 0 0 "[ . 1 . 2]" 1
420 1 46 THR HB 1 48 VAL MG2 1.800 . 5.000 4.107 2.510 5.012 0.012 8 0 "[ . 1 . 2]" 1
421 1 46 THR HB 1 57 PHE QD 1.800 . 5.000 3.937 3.224 4.982 . 0 0 "[ . 1 . 2]" 1
422 1 46 THR HB 1 57 PHE QE 1.800 . 5.000 4.079 3.254 5.007 0.007 19 0 "[ . 1 . 2]" 1
423 1 46 THR HB 1 98 TYR HA 1.800 . 5.000 3.848 2.317 5.054 0.054 19 0 "[ . 1 . 2]" 1
424 1 46 THR MG 1 47 ASP H 1.800 . 5.000 3.520 2.342 3.884 . 0 0 "[ . 1 . 2]" 1
425 1 46 THR MG 1 48 VAL H 1.800 . 5.000 3.369 1.886 4.414 . 0 0 "[ . 1 . 2]" 1
426 1 46 THR MG 1 54 ALA H 1.800 . 5.000 4.518 3.932 5.046 0.046 3 0 "[ . 1 . 2]" 1
427 1 46 THR MG 1 54 ALA HA 1.800 . 5.000 2.977 2.081 3.804 . 0 0 "[ . 1 . 2]" 1
428 1 46 THR MG 1 54 ALA MB 1.800 . 5.000 2.996 2.196 3.774 . 0 0 "[ . 1 . 2]" 1
429 1 46 THR MG 1 57 PHE QD 1.800 . 5.000 2.618 1.905 3.693 . 0 0 "[ . 1 . 2]" 1
430 1 46 THR MG 1 57 PHE QE 1.800 . 5.000 3.199 2.366 4.013 . 0 0 "[ . 1 . 2]" 1
431 1 46 THR MG 1 98 TYR HA 1.800 . 5.000 3.475 2.380 4.795 . 0 0 "[ . 1 . 2]" 1
432 1 46 THR MG 1 98 TYR QB 1.800 . 5.000 3.030 1.957 4.218 . 0 0 "[ . 1 . 2]" 1
433 1 47 ASP H 1 48 VAL H 1.800 . 3.500 2.215 2.093 2.393 . 0 0 "[ . 1 . 2]" 1
434 1 47 ASP H 1 93 ILE MG 1.800 . 5.000 2.458 1.881 3.137 . 0 0 "[ . 1 . 2]" 1
435 1 47 ASP H 1 93 ILE MD 1.800 . 5.000 3.386 2.623 4.071 . 0 0 "[ . 1 . 2]" 1
436 1 47 ASP HA 1 93 ILE MG 1.800 . 5.000 4.077 3.065 4.687 . 0 0 "[ . 1 . 2]" 1
437 1 47 ASP HB2 1 93 ILE MG 1.800 . 5.000 3.122 1.864 4.459 . 0 0 "[ . 1 . 2]" 1
438 1 47 ASP HB3 1 93 ILE MG 1.800 . 5.000 2.906 2.117 3.649 . 0 0 "[ . 1 . 2]" 1
439 1 48 VAL H 1 48 VAL MG2 1.800 . 5.000 2.192 1.797 3.761 0.003 19 0 "[ . 1 . 2]" 1
440 1 48 VAL HB 1 50 ASP QB 1.800 . 5.000 4.080 3.605 4.485 . 0 0 "[ . 1 . 2]" 1
441 1 48 VAL MG1 1 50 ASP HA 1.800 . 5.000 4.113 3.820 4.633 . 0 0 "[ . 1 . 2]" 1
442 1 48 VAL MG1 1 50 ASP QB 1.800 . 5.000 2.264 2.089 2.657 . 0 0 "[ . 1 . 2]" 1
443 1 48 VAL MG2 1 50 ASP QB 1.800 . 5.000 4.254 2.056 4.997 . 0 0 "[ . 1 . 2]" 1
444 1 48 VAL MG1 1 53 LYS QB 1.800 . 5.000 2.566 1.787 3.503 0.013 3 0 "[ . 1 . 2]" 1
445 1 48 VAL MG2 1 53 LYS QB 1.800 . 5.000 3.755 2.803 4.905 . 0 0 "[ . 1 . 2]" 1
446 1 48 VAL MG2 1 53 LYS QD 1.800 . 5.000 4.148 2.406 5.014 0.014 10 0 "[ . 1 . 2]" 1
447 1 48 VAL MG1 1 53 LYS QE 1.800 . 5.000 3.871 2.370 4.503 . 0 0 "[ . 1 . 2]" 1
448 1 48 VAL MG1 1 57 PHE QE 1.800 . 5.000 3.417 2.221 4.523 . 0 0 "[ . 1 . 2]" 1
449 1 48 VAL MG2 1 57 PHE QE 1.800 . 5.000 2.847 1.786 4.549 0.014 4 0 "[ . 1 . 2]" 1
450 1 49 ARG HA 1 50 ASP H 1.800 . 2.900 2.646 2.217 2.983 0.083 4 0 "[ . 1 . 2]" 1
451 1 49 ARG QB 1 50 ASP H 1.800 . 4.000 3.907 3.694 4.021 0.021 10 0 "[ . 1 . 2]" 1
452 1 50 ASP H 1 54 ALA MB 1.800 . 5.000 4.420 3.385 5.042 0.042 7 0 "[ . 1 . 2]" 1
453 1 50 ASP HA 1 51 ASP H 1.800 . 3.500 2.163 2.094 2.325 . 0 0 "[ . 1 . 2]" 1
454 1 50 ASP HA 1 52 LYS H 1.800 . 5.000 4.023 3.780 4.596 . 0 0 "[ . 1 . 2]" 1
455 1 50 ASP HA 1 53 LYS QB 1.800 . 5.000 4.488 4.249 4.901 . 0 0 "[ . 1 . 2]" 1
456 1 50 ASP HB2 1 53 LYS H 1.800 . 5.000 4.103 2.788 4.565 . 0 0 "[ . 1 . 2]" 1
457 1 50 ASP HB3 1 53 LYS H 1.800 . 5.000 2.877 2.340 3.302 . 0 0 "[ . 1 . 2]" 1
458 1 50 ASP HB2 1 53 LYS HB2 1.800 . 5.000 3.445 1.837 4.375 . 0 0 "[ . 1 . 2]" 1
459 1 50 ASP HB2 1 53 LYS HB3 1.800 . 5.000 4.230 1.804 5.035 0.035 1 0 "[ . 1 . 2]" 1
460 1 50 ASP HB3 1 53 LYS HB2 1.800 . 5.000 2.274 1.756 3.027 0.044 8 0 "[ . 1 . 2]" 1
461 1 50 ASP HB3 1 53 LYS HB3 1.800 . 5.000 3.042 1.799 4.538 0.001 16 0 "[ . 1 . 2]" 1
462 1 50 ASP QB 1 53 LYS QD 1.800 . 5.000 3.943 2.674 4.615 . 0 0 "[ . 1 . 2]" 1
463 1 50 ASP QB 1 54 ALA H 1.800 . 5.000 3.785 3.412 4.360 . 0 0 "[ . 1 . 2]" 1
464 1 51 ASP HA 1 54 ALA MB 1.800 . 5.000 2.956 2.461 3.877 . 0 0 "[ . 1 . 2]" 1
465 1 51 ASP H 1 52 LYS H 1.800 . 5.000 2.596 2.269 3.084 . 0 0 "[ . 1 . 2]" 1
466 1 51 ASP HB2 1 52 LYS H 1.800 . 5.000 3.384 2.505 4.086 . 0 0 "[ . 1 . 2]" 1
467 1 51 ASP HB3 1 52 LYS H 1.800 . 5.000 3.588 2.270 4.126 . 0 0 "[ . 1 . 2]" 1
468 1 51 ASP QB 1 55 ILE MD 1.800 . 5.000 3.886 3.145 4.626 . 0 0 "[ . 1 . 2]" 1
469 1 52 LYS H 1 52 LYS HG2 1.800 . 5.000 4.025 2.112 4.643 . 0 0 "[ . 1 . 2]" 1
470 1 52 LYS H 1 52 LYS HG3 1.800 . 5.000 4.243 3.311 4.548 . 0 0 "[ . 1 . 2]" 1
471 1 52 LYS H 1 53 LYS H 1.800 . 2.900 2.523 2.216 2.687 . 0 0 "[ . 1 . 2]" 1
472 1 52 LYS HA 1 54 ALA H 1.800 . 5.000 4.336 3.976 4.629 . 0 0 "[ . 1 . 2]" 1
473 1 52 LYS HA 1 55 ILE H 1.800 . 5.000 3.410 3.024 3.829 . 0 0 "[ . 1 . 2]" 1
474 1 52 LYS HA 1 55 ILE HB 1.800 . 5.000 2.807 2.275 3.127 . 0 0 "[ . 1 . 2]" 1
475 1 52 LYS HA 1 55 ILE QG 1.800 . 5.000 3.211 2.510 3.839 . 0 0 "[ . 1 . 2]" 1
476 1 52 LYS HA 1 55 ILE MD 1.800 . 5.000 2.449 1.792 2.989 0.008 6 0 "[ . 1 . 2]" 1
477 1 52 LYS HB2 1 52 LYS QE 1.800 . 5.000 3.867 1.974 4.230 . 0 0 "[ . 1 . 2]" 1
478 1 52 LYS HB3 1 52 LYS QE 1.800 . 5.000 3.793 1.888 4.489 . 0 0 "[ . 1 . 2]" 1
479 1 52 LYS HB2 1 53 LYS H 1.800 . 5.000 3.907 3.102 4.296 . 0 0 "[ . 1 . 2]" 1
480 1 52 LYS HB3 1 53 LYS H 1.800 . 5.000 2.942 2.458 4.190 . 0 0 "[ . 1 . 2]" 1
481 1 52 LYS QE 1 52 LYS HG2 1.800 . 5.000 2.619 2.344 2.960 . 0 0 "[ . 1 . 2]" 1
482 1 52 LYS QE 1 52 LYS HG3 1.800 . 5.000 2.894 2.393 3.508 . 0 0 "[ . 1 . 2]" 1
483 1 52 LYS QG 1 53 LYS H 1.800 . 5.000 3.435 2.343 4.457 . 0 0 "[ . 1 . 2]" 1
484 1 52 LYS QG 1 56 GLU H 1.800 . 5.000 4.260 3.704 5.009 0.009 6 0 "[ . 1 . 2]" 1
485 1 53 LYS H 1 53 LYS QG 1.800 . 5.000 3.322 2.439 4.073 . 0 0 "[ . 1 . 2]" 1
486 1 53 LYS H 1 53 LYS QD 1.800 . 5.000 3.959 2.876 4.698 . 0 0 "[ . 1 . 2]" 1
487 1 53 LYS H 1 54 ALA H 1.800 . 3.500 2.657 2.489 2.808 . 0 0 "[ . 1 . 2]" 1
488 1 53 LYS H 1 55 ILE H 1.800 . 5.000 4.176 3.932 4.473 . 0 0 "[ . 1 . 2]" 1
489 1 53 LYS HA 1 53 LYS QD 1.800 . 5.000 2.340 1.784 4.083 0.016 7 0 "[ . 1 . 2]" 1
490 1 53 LYS HA 1 53 LYS QE 1.800 . 5.000 3.868 2.658 4.693 . 0 0 "[ . 1 . 2]" 1
491 1 53 LYS HA 1 56 GLU H 1.800 . 5.000 3.238 2.953 3.528 . 0 0 "[ . 1 . 2]" 1
492 1 53 LYS HA 1 56 GLU QB 1.800 . 5.000 2.415 2.116 2.875 . 0 0 "[ . 1 . 2]" 1
493 1 53 LYS HA 1 56 GLU QG 1.800 . 5.000 3.643 2.233 4.638 . 0 0 "[ . 1 . 2]" 1
494 1 53 LYS HA 1 57 PHE QE 1.800 . 5.000 4.782 4.348 5.047 0.047 15 0 "[ . 1 . 2]" 1
495 1 53 LYS HB2 1 53 LYS QE 1.800 . 5.000 3.883 1.873 4.524 . 0 0 "[ . 1 . 2]" 1
496 1 53 LYS HB3 1 53 LYS QE 1.800 . 5.000 3.938 1.911 4.516 . 0 0 "[ . 1 . 2]" 1
497 1 53 LYS QB 1 54 ALA H 1.800 . 4.500 2.647 2.504 2.854 . 0 0 "[ . 1 . 2]" 1
498 1 53 LYS QG 1 56 GLU QB 1.800 . 5.000 3.978 2.737 5.001 0.001 12 0 "[ . 1 . 2]" 1
499 1 53 LYS QG 1 57 PHE QE 1.800 . 5.000 3.300 1.793 4.411 0.007 4 0 "[ . 1 . 2]" 1
500 1 53 LYS QD 1 57 PHE QE 1.800 . 5.000 3.500 2.901 5.014 0.014 11 0 "[ . 1 . 2]" 1
501 1 53 LYS QE 1 57 PHE QE 1.800 . 5.000 4.030 2.608 4.992 . 0 0 "[ . 1 . 2]" 1
502 1 54 ALA H 1 55 ILE H 1.800 . 3.500 2.704 2.558 2.811 . 0 0 "[ . 1 . 2]" 1
503 1 54 ALA HA 1 57 PHE H 1.800 . 5.000 3.509 3.246 3.808 . 0 0 "[ . 1 . 2]" 1
504 1 54 ALA HA 1 57 PHE HB2 1.800 . 5.000 2.926 2.605 3.321 . 0 0 "[ . 1 . 2]" 1
505 1 54 ALA HA 1 57 PHE HB3 1.800 . 5.000 4.539 4.160 5.006 0.006 9 0 "[ . 1 . 2]" 1
506 1 54 ALA HA 1 57 PHE QD 1.800 . 5.000 2.401 1.790 3.216 0.010 11 0 "[ . 1 . 2]" 1
507 1 54 ALA HA 1 57 PHE QE 1.800 . 5.000 4.109 3.099 4.903 . 0 0 "[ . 1 . 2]" 1
508 1 54 ALA HA 1 58 ALA H 1.800 . 5.000 4.257 4.065 4.572 . 0 0 "[ . 1 . 2]" 1
509 1 54 ALA MB 1 57 PHE H 1.800 . 5.000 4.640 4.466 4.860 . 0 0 "[ . 1 . 2]" 1
510 1 54 ALA MB 1 58 ALA H 1.800 . 5.000 4.725 4.449 4.864 . 0 0 "[ . 1 . 2]" 1
511 1 54 ALA MB 1 58 ALA MB 1.800 . 5.000 4.374 4.156 4.636 . 0 0 "[ . 1 . 2]" 1
512 1 55 ILE H 1 55 ILE QG 1.800 . 5.000 2.125 1.975 2.263 . 0 0 "[ . 1 . 2]" 1
513 1 55 ILE H 1 55 ILE MD 1.800 . 5.000 3.568 3.513 3.665 . 0 0 "[ . 1 . 2]" 1
514 1 55 ILE H 1 56 GLU H 1.800 . 3.500 2.683 2.597 2.807 . 0 0 "[ . 1 . 2]" 1
515 1 55 ILE HA 1 55 ILE MD 1.800 . 5.000 3.825 3.793 3.860 . 0 0 "[ . 1 . 2]" 1
516 1 55 ILE HA 1 58 ALA H 1.800 . 5.000 3.521 3.215 3.760 . 0 0 "[ . 1 . 2]" 1
517 1 55 ILE HA 1 58 ALA MB 1.800 . 5.000 2.731 2.395 3.111 . 0 0 "[ . 1 . 2]" 1
518 1 55 ILE HA 1 72 VAL MG1 1.800 . 5.000 2.964 2.280 3.777 . 0 0 "[ . 1 . 2]" 1
519 1 55 ILE HA 1 77 CYS HB2 1.800 . 5.000 4.124 3.338 5.015 0.015 19 0 "[ . 1 . 2]" 1
520 1 55 ILE HA 1 77 CYS HB3 1.800 . 5.000 3.976 3.434 4.940 . 0 0 "[ . 1 . 2]" 1
521 1 55 ILE HB 1 56 GLU H 1.800 . 5.000 2.534 2.413 2.681 . 0 0 "[ . 1 . 2]" 1
522 1 55 ILE HG12 1 55 ILE MG 1.800 . 5.000 2.380 2.346 2.422 . 0 0 "[ . 1 . 2]" 1
523 1 55 ILE HG13 1 55 ILE MG 1.800 . 5.000 3.204 3.199 3.208 . 0 0 "[ . 1 . 2]" 1
524 1 55 ILE QG 1 72 VAL MG1 1.800 . 5.000 2.690 2.025 3.619 . 0 0 "[ . 1 . 2]" 1
525 1 55 ILE QG 1 73 THR HA 1.800 . 5.000 4.085 3.447 4.948 . 0 0 "[ . 1 . 2]" 1
526 1 55 ILE HG12 1 77 CYS HB2 1.800 . 5.000 3.449 2.890 4.401 . 0 0 "[ . 1 . 2]" 1
527 1 55 ILE HG12 1 77 CYS HB3 1.800 . 5.000 2.761 1.793 3.887 0.007 2 0 "[ . 1 . 2]" 1
528 1 55 ILE HG13 1 77 CYS HB2 1.800 . 5.000 4.370 3.126 4.837 . 0 0 "[ . 1 . 2]" 1
529 1 55 ILE HG13 1 77 CYS HB3 1.800 . 5.000 3.794 2.767 5.023 0.023 12 0 "[ . 1 . 2]" 1
530 1 55 ILE MG 1 56 GLU H 1.800 . 5.000 3.307 3.171 3.600 . 0 0 "[ . 1 . 2]" 1
531 1 55 ILE MG 1 56 GLU HA 1.800 . 5.000 3.335 3.152 3.596 . 0 0 "[ . 1 . 2]" 1
532 1 55 ILE MG 1 57 PHE H 1.800 . 5.000 4.986 4.852 5.044 0.044 9 0 "[ . 1 . 2]" 1
533 1 55 ILE MG 1 59 LYS HG2 1.800 . 5.000 3.706 2.652 4.483 . 0 0 "[ . 1 . 2]" 1
534 1 55 ILE MG 1 59 LYS HG3 1.800 . 5.000 2.649 2.240 3.150 . 0 0 "[ . 1 . 2]" 1
535 1 55 ILE MG 1 59 LYS HD2 1.800 . 5.000 3.124 2.013 4.597 . 0 0 "[ . 1 . 2]" 1
536 1 55 ILE MG 1 59 LYS HD3 1.800 . 5.000 3.246 2.265 4.375 . 0 0 "[ . 1 . 2]" 1
537 1 55 ILE MG 1 59 LYS QE 1.800 . 5.000 2.978 1.782 4.371 0.018 2 0 "[ . 1 . 2]" 1
538 1 55 ILE MG 1 72 VAL MG1 1.800 . 5.000 1.950 1.793 2.344 0.007 14 0 "[ . 1 . 2]" 1
539 1 55 ILE MG 1 72 VAL HB 1.800 . 5.000 2.632 1.873 3.149 . 0 0 "[ . 1 . 2]" 1
540 1 55 ILE MG 1 72 VAL HA 1.800 . 5.000 4.347 4.047 4.640 . 0 0 "[ . 1 . 2]" 1
541 1 55 ILE MG 1 73 THR HA 1.800 . 5.000 3.291 2.479 4.219 . 0 0 "[ . 1 . 2]" 1
542 1 55 ILE MG 1 77 CYS QB 1.800 . 5.000 3.845 2.680 4.689 . 0 0 "[ . 1 . 2]" 1
543 1 55 ILE MD 1 72 VAL MG1 1.800 . 5.000 3.296 2.851 3.751 . 0 0 "[ . 1 . 2]" 1
544 1 55 ILE MD 1 73 THR HA 1.800 . 5.000 2.500 1.837 3.355 . 0 0 "[ . 1 . 2]" 1
545 1 55 ILE MD 1 73 THR HB 1.800 . 5.000 4.177 3.837 4.948 . 0 0 "[ . 1 . 2]" 1
546 1 55 ILE MD 1 73 THR MG 1.800 . 5.000 4.086 3.118 4.834 . 0 0 "[ . 1 . 2]" 1
547 1 55 ILE MD 1 74 SER HA 1.800 . 5.000 2.797 2.093 3.450 . 0 0 "[ . 1 . 2]" 1
548 1 55 ILE MD 1 74 SER QB 1.800 . 5.000 3.592 2.275 4.387 . 0 0 "[ . 1 . 2]" 1
549 1 55 ILE MD 1 75 GLU H 1.800 . 5.000 4.769 4.407 5.031 0.031 5 0 "[ . 1 . 2]" 1
550 1 55 ILE MD 1 77 CYS HB2 1.800 . 5.000 4.466 3.759 5.027 0.027 13 0 "[ . 1 . 2]" 1
551 1 55 ILE MD 1 77 CYS HB3 1.800 . 5.000 3.775 2.674 5.006 0.006 12 0 "[ . 1 . 2]" 1
552 1 56 GLU H 1 56 GLU HG2 1.800 . 5.000 3.963 2.162 4.594 . 0 0 "[ . 1 . 2]" 1
553 1 56 GLU H 1 56 GLU HG3 1.800 . 5.000 3.761 2.048 4.496 . 0 0 "[ . 1 . 2]" 1
554 1 56 GLU H 1 57 PHE H 1.800 . 3.500 2.758 2.621 2.848 . 0 0 "[ . 1 . 2]" 1
555 1 56 GLU HA 1 59 LYS QB 1.800 . 5.000 2.733 1.930 3.333 . 0 0 "[ . 1 . 2]" 1
556 1 56 GLU HA 1 59 LYS QD 1.800 . 5.000 3.440 2.135 4.765 . 0 0 "[ . 1 . 2]" 1
557 1 56 GLU HA 1 60 GLN H 1.800 . 5.000 4.156 3.644 4.735 . 0 0 "[ . 1 . 2]" 1
558 1 56 GLU QB 1 60 GLN QG 1.800 . 5.000 4.060 3.166 5.043 0.043 10 0 "[ . 1 . 2]" 1
559 1 57 PHE H 1 57 PHE QB 1.800 . 3.500 2.407 2.321 2.482 . 0 0 "[ . 1 . 2]" 1
560 1 57 PHE H 1 57 PHE QD 1.800 . 5.000 3.218 2.711 3.345 . 0 0 "[ . 1 . 2]" 1
561 1 57 PHE H 1 58 ALA H 1.800 . 3.000 2.680 2.589 2.801 . 0 0 "[ . 1 . 2]" 1
562 1 57 PHE HA 1 57 PHE QD 1.800 . 5.000 2.007 1.890 2.639 . 0 0 "[ . 1 . 2]" 1
563 1 57 PHE HA 1 60 GLN H 1.800 . 5.000 3.418 3.101 3.674 . 0 0 "[ . 1 . 2]" 1
564 1 57 PHE HA 1 60 GLN HB2 1.800 . 5.000 2.866 2.450 4.838 . 0 0 "[ . 1 . 2]" 1
565 1 57 PHE HA 1 60 GLN HB3 1.800 . 5.000 4.198 2.807 4.574 . 0 0 "[ . 1 . 2]" 1
566 1 57 PHE HA 1 61 TRP H 1.800 . 5.000 4.406 3.976 4.829 . 0 0 "[ . 1 . 2]" 1
567 1 57 PHE HB2 1 58 ALA H 1.800 . 5.000 2.647 2.475 2.822 . 0 0 "[ . 1 . 2]" 1
568 1 57 PHE HB3 1 58 ALA H 1.800 . 5.000 3.579 3.444 3.674 . 0 0 "[ . 1 . 2]" 1
569 1 57 PHE QB 1 98 TYR QB 1.800 . 5.000 2.617 2.086 3.279 . 0 0 "[ . 1 . 2]" 1
570 1 57 PHE QB 1 98 TYR QD 1.800 . 5.000 3.000 2.725 3.475 . 0 0 "[ . 1 . 2]" 1
571 1 57 PHE QB 1 100 ILE MD 1.800 . 5.000 3.441 2.649 3.876 . 0 0 "[ . 1 . 2]" 1
572 1 57 PHE QD 1 58 ALA H 1.800 . 5.000 4.423 4.301 4.492 . 0 0 "[ . 1 . 2]" 1
573 1 57 PHE QD 1 60 GLN QB 1.800 . 5.000 3.847 3.370 4.584 . 0 0 "[ . 1 . 2]" 1
574 1 57 PHE QD 1 60 GLN QE 1.800 . 5.000 3.428 1.961 5.004 0.004 18 0 "[ . 1 . 2]" 1
575 1 57 PHE QD 1 98 TYR QB 1.800 . 5.000 2.843 2.489 3.223 . 0 0 "[ . 1 . 2]" 1
576 1 57 PHE QD 1 98 TYR QD 1.800 . 5.000 3.124 1.907 3.669 . 0 0 "[ . 1 . 2]" 1
577 1 57 PHE QD 1 98 TYR QE 1.800 . 5.000 3.455 3.095 4.021 . 0 0 "[ . 1 . 2]" 1
578 1 57 PHE QE 1 98 TYR QB 1.800 . 5.000 3.689 3.041 4.339 . 0 0 "[ . 1 . 2]" 1
579 1 57 PHE QE 1 98 TYR QD 1.800 . 5.000 3.583 2.715 3.910 . 0 0 "[ . 1 . 2]" 1
580 1 58 ALA HA 1 61 TRP HB2 1.800 . 5.000 3.793 3.299 4.286 . 0 0 "[ . 1 . 2]" 1
581 1 58 ALA HA 1 61 TRP HB3 1.800 . 5.000 3.122 2.664 3.518 . 0 0 "[ . 1 . 2]" 1
582 1 58 ALA HA 1 61 TRP HE3 1.800 . 5.000 4.213 3.622 4.754 . 0 0 "[ . 1 . 2]" 1
583 1 58 ALA HA 1 100 ILE MD 1.800 . 5.000 3.009 2.486 3.469 . 0 0 "[ . 1 . 2]" 1
584 1 58 ALA MB 1 62 LEU MD1 1.800 . 5.000 3.318 2.749 3.634 . 0 0 "[ . 1 . 2]" 1
585 1 58 ALA MB 1 72 VAL HB 1.800 . 5.000 4.344 3.754 4.783 . 0 0 "[ . 1 . 2]" 1
586 1 58 ALA MB 1 72 VAL MG1 1.800 . 5.000 2.680 1.912 3.336 . 0 0 "[ . 1 . 2]" 1
587 1 58 ALA MB 1 72 VAL MG2 1.800 . 5.000 3.386 2.526 4.142 . 0 0 "[ . 1 . 2]" 1
588 1 58 ALA MB 1 100 ILE MD 1.800 . 5.000 3.756 3.218 4.495 . 0 0 "[ . 1 . 2]" 1
589 1 59 LYS H 1 59 LYS HG2 1.800 . 5.000 3.447 2.380 4.064 . 0 0 "[ . 1 . 2]" 1
590 1 59 LYS H 1 59 LYS HG3 1.800 . 5.000 2.481 2.201 3.612 . 0 0 "[ . 1 . 2]" 1
591 1 59 LYS H 1 60 GLN H 1.800 . 2.900 2.625 2.486 2.797 . 0 0 "[ . 1 . 2]" 1
592 1 59 LYS H 1 61 TRP H 1.800 . 5.000 4.172 3.975 4.469 . 0 0 "[ . 1 . 2]" 1
593 1 59 LYS HA 1 62 LEU H 1.800 . 5.000 3.163 2.789 3.480 . 0 0 "[ . 1 . 2]" 1
594 1 59 LYS HA 1 62 LEU HB2 1.800 . 5.000 2.357 2.051 2.908 . 0 0 "[ . 1 . 2]" 1
595 1 59 LYS HA 1 62 LEU HB3 1.800 . 5.000 3.956 3.646 4.551 . 0 0 "[ . 1 . 2]" 1
596 1 59 LYS HA 1 62 LEU MD1 1.800 . 5.000 2.274 2.021 2.797 . 0 0 "[ . 1 . 2]" 1
597 1 59 LYS HA 1 72 VAL MG2 1.800 . 5.000 3.788 2.497 4.848 . 0 0 "[ . 1 . 2]" 1
598 1 59 LYS QB 1 59 LYS QD 1.800 . 5.000 2.250 2.085 2.372 . 0 0 "[ . 1 . 2]" 1
599 1 59 LYS QB 1 63 SER H 1.800 . 5.000 4.438 4.046 4.783 . 0 0 "[ . 1 . 2]" 1
600 1 59 LYS HG2 1 60 GLN H 1.800 . 5.000 4.999 4.526 5.078 0.078 9 0 "[ . 1 . 2]" 1
601 1 59 LYS HG3 1 60 GLN H 1.800 . 5.000 4.496 4.312 5.012 0.012 7 0 "[ . 1 . 2]" 1
602 1 59 LYS QG 1 62 LEU MD1 1.800 . 5.000 2.837 2.022 3.703 . 0 0 "[ . 1 . 2]" 1
603 1 59 LYS QG 1 72 VAL HB 1.800 . 5.000 2.698 1.911 3.475 . 0 0 "[ . 1 . 2]" 1
604 1 59 LYS HG2 1 72 VAL MG1 1.800 . 5.000 3.863 2.957 5.012 0.012 9 0 "[ . 1 . 2]" 1
605 1 59 LYS HG2 1 72 VAL MG2 1.800 . 5.000 2.959 2.063 4.159 . 0 0 "[ . 1 . 2]" 1
606 1 59 LYS HG3 1 72 VAL MG1 1.800 . 5.000 3.438 2.626 4.959 . 0 0 "[ . 1 . 2]" 1
607 1 59 LYS HG3 1 72 VAL MG2 1.800 . 5.000 3.532 2.785 5.008 0.008 7 0 "[ . 1 . 2]" 1
608 1 59 LYS QD 1 72 VAL H 1.800 . 5.000 4.085 2.614 5.021 0.021 2 0 "[ . 1 . 2]" 1
609 1 59 LYS QD 1 72 VAL HB 1.800 . 5.000 3.108 2.415 4.221 . 0 0 "[ . 1 . 2]" 1
610 1 59 LYS QD 1 72 VAL MG2 1.800 . 5.000 3.845 3.161 4.690 . 0 0 "[ . 1 . 2]" 1
611 1 59 LYS QD 1 72 VAL MG1 1.800 . 5.000 4.053 3.374 4.889 . 0 0 "[ . 1 . 2]" 1
612 1 59 LYS QE 1 72 VAL MG1 1.800 . 5.000 4.314 3.302 5.032 0.032 12 0 "[ . 1 . 2]" 1
613 1 59 LYS QE 1 72 VAL HB 1.800 . 5.000 3.377 1.854 4.460 . 0 0 "[ . 1 . 2]" 1
614 1 60 GLN H 1 60 GLN QB 1.800 . 3.900 2.420 2.149 2.577 . 0 0 "[ . 1 . 2]" 1
615 1 60 GLN H 1 60 GLN HG2 1.800 . 5.000 3.182 2.143 4.532 . 0 0 "[ . 1 . 2]" 1
616 1 60 GLN H 1 60 GLN HG3 1.800 . 5.000 2.808 2.188 4.169 . 0 0 "[ . 1 . 2]" 1
617 1 60 GLN H 1 61 TRP H 1.800 . 3.500 2.686 2.497 2.812 . 0 0 "[ . 1 . 2]" 1
618 1 60 GLN QE 1 98 TYR QE 1.800 . 5.000 3.890 2.129 5.020 0.020 18 0 "[ . 1 . 2]" 1
619 1 61 TRP H 1 61 TRP HE3 1.800 . 5.000 4.738 4.651 4.840 . 0 0 "[ . 1 . 2]" 1
620 1 61 TRP H 1 62 LEU H 1.800 . 3.500 2.576 2.432 2.707 . 0 0 "[ . 1 . 2]" 1
621 1 61 TRP H 1 62 LEU HG 1.800 . 5.000 4.370 4.059 4.660 . 0 0 "[ . 1 . 2]" 1
622 1 61 TRP HA 1 61 TRP HD1 1.800 . 5.000 2.793 2.614 2.958 . 0 0 "[ . 1 . 2]" 1
623 1 61 TRP HA 1 98 TYR QE 1.800 . 5.000 4.536 4.040 5.015 0.015 14 0 "[ . 1 . 2]" 1
624 1 61 TRP HB2 1 98 TYR QE 1.800 . 5.000 3.090 2.604 3.441 . 0 0 "[ . 1 . 2]" 1
625 1 61 TRP HB3 1 98 TYR QE 1.800 . 5.000 4.675 4.114 5.011 0.011 10 0 "[ . 1 . 2]" 1
626 1 61 TRP QB 1 100 ILE QG 1.800 . 5.000 2.692 2.328 3.183 . 0 0 "[ . 1 . 2]" 1
627 1 61 TRP QB 1 100 ILE MD 1.800 . 5.000 2.964 2.253 3.560 . 0 0 "[ . 1 . 2]" 1
628 1 61 TRP HD1 1 98 TYR QE 1.800 . 5.000 3.903 3.211 4.644 . 0 0 "[ . 1 . 2]" 1
629 1 61 TRP HD1 1 100 ILE MG 1.800 . 5.000 4.380 3.428 5.014 0.014 1 0 "[ . 1 . 2]" 1
630 1 61 TRP HE1 1 65 ILE MG 1.800 . 4.000 3.308 2.876 3.835 . 0 0 "[ . 1 . 2]" 1
631 1 61 TRP HE1 1 65 ILE MD 1.800 . 5.000 4.644 4.077 5.015 0.015 9 0 "[ . 1 . 2]" 1
632 1 61 TRP HE1 1 100 ILE QG 1.800 . 5.000 4.499 3.740 5.032 0.032 9 0 "[ . 1 . 2]" 1
633 1 61 TRP HE1 1 102 LYS QE 1.800 . 5.000 3.760 2.761 5.037 0.037 7 0 "[ . 1 . 2]" 1
634 1 61 TRP HE3 1 62 LEU H 1.800 . 5.000 3.493 3.202 3.905 . 0 0 "[ . 1 . 2]" 1
635 1 61 TRP HE3 1 62 LEU HG 1.800 . 5.000 2.965 2.194 3.320 . 0 0 "[ . 1 . 2]" 1
636 1 61 TRP HE3 1 62 LEU MD1 1.800 . 5.000 4.258 3.701 4.514 . 0 0 "[ . 1 . 2]" 1
637 1 61 TRP HE3 1 62 LEU MD2 1.800 . 5.000 2.498 2.120 2.749 . 0 0 "[ . 1 . 2]" 1
638 1 61 TRP HZ2 1 65 ILE MG 1.800 . 5.000 3.281 3.042 3.728 . 0 0 "[ . 1 . 2]" 1
639 1 61 TRP HZ2 1 100 ILE MG 1.800 . 5.000 3.592 3.061 4.156 . 0 0 "[ . 1 . 2]" 1
640 1 61 TRP HZ2 1 102 LYS QG 1.800 . 5.000 3.480 2.813 4.124 . 0 0 "[ . 1 . 2]" 1
641 1 61 TRP HZ2 1 102 LYS HD2 1.800 . 5.000 4.385 2.430 5.010 0.010 4 0 "[ . 1 . 2]" 1
642 1 61 TRP HZ2 1 102 LYS HD3 1.800 . 5.000 3.967 2.672 5.005 0.005 7 0 "[ . 1 . 2]" 1
643 1 61 TRP HZ2 1 102 LYS QE 1.800 . 5.000 2.272 1.777 3.202 0.023 15 0 "[ . 1 . 2]" 1
644 1 61 TRP HZ3 1 62 LEU HG 1.800 . 5.000 4.567 3.817 4.996 . 0 0 "[ . 1 . 2]" 1
645 1 61 TRP HZ3 1 62 LEU MD2 1.800 . 5.000 2.755 2.319 3.169 . 0 0 "[ . 1 . 2]" 1
646 1 61 TRP HZ3 1 65 ILE MD 1.800 . 5.000 3.126 2.699 3.779 . 0 0 "[ . 1 . 2]" 1
647 1 61 TRP HH2 1 65 ILE MD 1.800 . 5.000 3.297 3.008 3.913 . 0 0 "[ . 1 . 2]" 1
648 1 61 TRP HH2 1 102 LYS QG 1.800 . 5.000 3.583 2.545 4.993 . 0 0 "[ . 1 . 2]" 1
649 1 61 TRP HH2 1 102 LYS QD 1.800 . 5.000 3.980 2.219 4.974 . 0 0 "[ . 1 . 2]" 1
650 1 61 TRP HH2 1 102 LYS QE 1.800 . 5.000 3.558 2.424 4.722 . 0 0 "[ . 1 . 2]" 1
651 1 62 LEU H 1 62 LEU HG 1.800 . 5.000 2.295 2.169 2.420 . 0 0 "[ . 1 . 2]" 1
652 1 62 LEU H 1 62 LEU MD1 1.800 . 5.000 3.617 3.347 3.733 . 0 0 "[ . 1 . 2]" 1
653 1 62 LEU H 1 62 LEU MD2 1.800 . 5.000 3.315 3.187 3.577 . 0 0 "[ . 1 . 2]" 1
654 1 62 LEU H 1 63 SER H 1.800 . 5.000 2.716 2.577 2.867 . 0 0 "[ . 1 . 2]" 1
655 1 62 LEU HA 1 62 LEU MD1 1.800 . 5.000 3.845 3.806 3.881 . 0 0 "[ . 1 . 2]" 1
656 1 62 LEU HA 1 62 LEU MD2 1.800 . 3.500 1.987 1.931 2.119 . 0 0 "[ . 1 . 2]" 1
657 1 62 LEU HA 1 64 SER H 1.800 . 5.000 4.184 4.013 4.410 . 0 0 "[ . 1 . 2]" 1
658 1 62 LEU HA 1 65 ILE H 1.800 . 5.000 3.454 3.353 3.620 . 0 0 "[ . 1 . 2]" 1
659 1 62 LEU HA 1 65 ILE HG12 1.800 . 5.000 2.048 1.912 2.262 . 0 0 "[ . 1 . 2]" 1
660 1 62 LEU HA 1 65 ILE HG13 1.800 . 5.000 3.046 2.679 3.458 . 0 0 "[ . 1 . 2]" 1
661 1 62 LEU HA 1 65 ILE MG 1.800 . 5.000 3.811 3.512 4.130 . 0 0 "[ . 1 . 2]" 1
662 1 62 LEU HA 1 65 ILE MD 1.800 . 5.000 2.368 2.175 2.569 . 0 0 "[ . 1 . 2]" 1
663 1 62 LEU HA 1 67 GLU HB2 1.800 . 5.000 3.363 2.819 4.376 . 0 0 "[ . 1 . 2]" 1
664 1 62 LEU HA 1 67 GLU HB3 1.800 . 5.000 4.399 2.984 5.022 0.022 17 0 "[ . 1 . 2]" 1
665 1 62 LEU HB2 1 63 SER H 1.800 . 5.000 2.637 2.406 2.895 . 0 0 "[ . 1 . 2]" 1
666 1 62 LEU HB3 1 63 SER H 1.800 . 5.000 3.617 3.412 3.838 . 0 0 "[ . 1 . 2]" 1
667 1 62 LEU QB 1 67 GLU HB2 1.800 . 5.000 3.236 1.920 4.476 . 0 0 "[ . 1 . 2]" 1
668 1 62 LEU QB 1 67 GLU HB3 1.800 . 5.000 3.476 2.251 4.472 . 0 0 "[ . 1 . 2]" 1
669 1 62 LEU MD1 1 63 SER H 1.800 . 5.000 4.539 4.341 4.735 . 0 0 "[ . 1 . 2]" 1
670 1 62 LEU MD2 1 65 ILE MD 1.800 . 5.000 2.054 1.795 2.257 0.005 17 0 "[ . 1 . 2]" 1
671 1 62 LEU MD2 1 67 GLU QB 1.800 . 5.000 2.566 2.189 3.085 . 0 0 "[ . 1 . 2]" 1
672 1 62 LEU MD2 1 67 GLU HG2 1.800 . 5.000 4.206 2.754 5.014 0.014 13 0 "[ . 1 . 2]" 1
673 1 62 LEU MD2 1 67 GLU HG3 1.800 . 5.000 3.614 2.343 4.560 . 0 0 "[ . 1 . 2]" 1
674 1 62 LEU MD1 1 70 ALA H 1.800 . 5.000 3.750 1.795 5.005 0.005 6 0 "[ . 1 . 2]" 1
675 1 62 LEU MD1 1 70 ALA MB 1.800 . 5.000 2.757 1.778 4.443 0.022 20 0 "[ . 1 . 2]" 1
676 1 62 LEU MD2 1 70 ALA MB 1.800 . 5.000 3.875 2.845 4.978 . 0 0 "[ . 1 . 2]" 1
677 1 62 LEU MD1 1 72 VAL MG2 1.800 . 5.000 2.163 1.857 2.690 . 0 0 "[ . 1 . 2]" 1
678 1 63 SER H 1 64 SER H 1.800 . 3.500 2.593 2.432 2.754 . 0 0 "[ . 1 . 2]" 1
679 1 63 SER HA 1 68 GLU QB 1.800 . 5.000 3.075 1.769 4.610 0.031 15 0 "[ . 1 . 2]" 1
680 1 63 SER HA 1 68 GLU QG 1.800 . 5.000 3.260 1.781 4.433 0.019 10 0 "[ . 1 . 2]" 1
681 1 63 SER QB 1 68 GLU QB 1.800 . 5.000 3.889 2.652 5.024 0.024 11 0 "[ . 1 . 2]" 1
682 1 63 SER QB 1 68 GLU QG 1.800 . 5.000 3.798 2.331 4.723 . 0 0 "[ . 1 . 2]" 1
683 1 63 SER QB 1 64 SER H 1.800 . 4.500 2.923 2.488 3.596 . 0 0 "[ . 1 . 2]" 1
684 1 64 SER H 1 65 ILE H 1.800 . 3.500 2.577 2.330 2.778 . 0 0 "[ . 1 . 2]" 1
685 1 64 SER H 1 65 ILE MG 1.800 . 5.000 4.237 3.991 4.495 . 0 0 "[ . 1 . 2]" 1
686 1 64 SER QB 1 65 ILE MG 1.800 . 5.000 3.127 2.779 3.927 . 0 0 "[ . 1 . 2]" 1
687 1 65 ILE H 1 65 ILE QG 1.800 . 5.000 2.002 1.931 2.093 . 0 0 "[ . 1 . 2]" 1
688 1 65 ILE H 1 65 ILE MD 1.800 . 5.000 3.671 3.620 3.733 . 0 0 "[ . 1 . 2]" 1
689 1 65 ILE H 1 66 GLY H 1.800 . 3.500 2.442 2.281 2.611 . 0 0 "[ . 1 . 2]" 1
690 1 65 ILE H 1 67 GLU H 1.800 . 5.000 3.851 3.494 4.085 . 0 0 "[ . 1 . 2]" 1
691 1 65 ILE HA 1 65 ILE MD 1.800 . 5.000 4.185 4.181 4.190 . 0 0 "[ . 1 . 2]" 1
692 1 65 ILE HB 1 66 GLY H 1.800 . 5.000 4.108 3.822 4.395 . 0 0 "[ . 1 . 2]" 1
693 1 65 ILE HB 1 67 GLU H 1.800 . 5.000 4.336 3.853 4.978 . 0 0 "[ . 1 . 2]" 1
694 1 65 ILE HG12 1 65 ILE MG 1.800 . 5.000 2.396 2.369 2.428 . 0 0 "[ . 1 . 2]" 1
695 1 65 ILE HG13 1 65 ILE MG 1.800 . 5.000 3.205 3.200 3.208 . 0 0 "[ . 1 . 2]" 1
696 1 65 ILE QG 1 66 GLY H 1.800 . 5.000 2.674 2.236 3.354 . 0 0 "[ . 1 . 2]" 1
697 1 65 ILE QG 1 67 GLU H 1.800 . 5.000 2.126 1.774 2.694 0.026 1 0 "[ . 1 . 2]" 1
698 1 65 ILE QG 1 67 GLU QB 1.800 . 5.000 2.510 1.983 3.114 . 0 0 "[ . 1 . 2]" 1
699 1 65 ILE HG12 1 67 GLU QG 1.800 . 5.000 4.289 3.503 5.018 0.018 9 0 "[ . 1 . 2]" 1
700 1 65 ILE HG13 1 67 GLU QG 1.800 . 5.000 2.983 2.088 4.242 . 0 0 "[ . 1 . 2]" 1
701 1 65 ILE MG 1 66 GLY H 1.800 . 5.000 4.119 4.020 4.278 . 0 0 "[ . 1 . 2]" 1
702 1 65 ILE MG 1 67 GLU H 1.800 . 5.000 4.767 4.564 5.014 0.014 9 0 "[ . 1 . 2]" 1
703 1 65 ILE MD 1 66 GLY H 1.800 . 5.000 4.350 3.945 4.964 . 0 0 "[ . 1 . 2]" 1
704 1 65 ILE MD 1 67 GLU H 1.800 . 5.000 3.582 3.219 4.077 . 0 0 "[ . 1 . 2]" 1
705 1 65 ILE MD 1 67 GLU HB2 1.800 . 5.000 2.619 2.151 3.299 . 0 0 "[ . 1 . 2]" 1
706 1 65 ILE MD 1 67 GLU HB3 1.800 . 5.000 3.680 2.269 4.695 . 0 0 "[ . 1 . 2]" 1
707 1 65 ILE MD 1 67 GLU HG2 1.800 . 5.000 3.191 2.301 4.365 . 0 0 "[ . 1 . 2]" 1
708 1 65 ILE MD 1 67 GLU HG3 1.800 . 5.000 3.151 2.496 4.586 . 0 0 "[ . 1 . 2]" 1
709 1 66 GLY H 1 67 GLU H 1.800 . 3.500 2.337 2.090 2.744 . 0 0 "[ . 1 . 2]" 1
710 1 66 GLY H 1 68 GLU H 1.800 . 5.000 4.061 3.060 5.022 0.022 10 0 "[ . 1 . 2]" 1
711 1 66 GLY QA 1 68 GLU H 1.800 . 5.000 3.652 3.192 4.997 . 0 0 "[ . 1 . 2]" 1
712 1 67 GLU H 1 67 GLU QB 1.800 . 3.500 2.405 2.234 2.634 . 0 0 "[ . 1 . 2]" 1
713 1 67 GLU H 1 68 GLU H 1.800 . 3.500 2.760 1.909 3.540 0.040 4 0 "[ . 1 . 2]" 1
714 1 67 GLU HA 1 68 GLU H 1.800 . 3.500 3.058 2.466 3.539 0.039 8 0 "[ . 1 . 2]" 1
715 1 67 GLU QB 1 70 ALA MB 1.800 . 5.000 4.036 1.837 5.035 0.035 9 0 "[ . 1 . 2]" 1
716 1 69 GLY HA2 1 70 ALA H 1.800 . 3.500 2.958 2.146 3.524 0.024 8 0 "[ . 1 . 2]" 1
717 1 69 GLY HA3 1 70 ALA H 1.800 . 3.500 3.246 2.665 3.542 0.042 1 0 "[ . 1 . 2]" 1
718 1 70 ALA H 1 71 THR H 1.800 . 5.000 4.470 4.111 4.645 . 0 0 "[ . 1 . 2]" 1
719 1 70 ALA H 1 72 VAL MG2 1.800 . 5.000 4.411 3.326 5.015 0.015 6 0 "[ . 1 . 2]" 1
720 1 70 ALA MB 1 72 VAL MG2 1.800 . 5.000 2.893 2.497 3.272 . 0 0 "[ . 1 . 2]" 1
721 1 71 THR H 1 71 THR MG 1.800 . 5.000 3.781 3.746 3.843 . 0 0 "[ . 1 . 2]" 1
722 1 71 THR H 1 72 VAL MG2 1.800 . 5.000 4.296 3.915 4.802 . 0 0 "[ . 1 . 2]" 1
723 1 71 THR HB 1 72 VAL H 1.800 . 5.000 4.354 4.134 4.450 . 0 0 "[ . 1 . 2]" 1
724 1 71 THR HB 1 76 GLU QG 1.800 . 5.000 4.258 3.387 5.014 0.014 8 0 "[ . 1 . 2]" 1
725 1 71 THR MG 1 72 VAL HA 1.800 . 5.000 4.050 3.694 4.513 . 0 0 "[ . 1 . 2]" 1
726 1 72 VAL H 1 72 VAL MG1 1.800 . 5.000 3.836 3.775 3.924 . 0 0 "[ . 1 . 2]" 1
727 1 72 VAL H 1 72 VAL MG2 1.800 . 5.000 2.483 1.923 2.922 . 0 0 "[ . 1 . 2]" 1
728 1 72 VAL HA 1 76 GLU H 1.800 . 5.000 4.353 3.977 4.661 . 0 0 "[ . 1 . 2]" 1
729 1 72 VAL HA 1 76 GLU HB2 1.800 . 5.000 2.486 2.087 2.944 . 0 0 "[ . 1 . 2]" 1
730 1 72 VAL HA 1 76 GLU HB3 1.800 . 5.000 3.392 2.870 4.477 . 0 0 "[ . 1 . 2]" 1
731 1 72 VAL HA 1 76 GLU QG 1.800 . 5.000 2.528 1.805 3.889 . 0 0 "[ . 1 . 2]" 1
732 1 72 VAL MG1 1 73 THR H 1.800 . 5.000 3.178 2.834 3.426 . 0 0 "[ . 1 . 2]" 1
733 1 72 VAL MG1 1 76 GLU H 1.800 . 5.000 4.312 3.862 4.908 . 0 0 "[ . 1 . 2]" 1
734 1 72 VAL MG1 1 76 GLU HB2 1.800 . 5.000 2.592 2.135 3.663 . 0 0 "[ . 1 . 2]" 1
735 1 72 VAL MG1 1 76 GLU HB3 1.800 . 5.000 3.188 2.357 4.763 . 0 0 "[ . 1 . 2]" 1
736 1 72 VAL MG2 1 76 GLU QB 1.800 . 5.000 3.321 2.617 4.017 . 0 0 "[ . 1 . 2]" 1
737 1 72 VAL MG1 1 76 GLU QG 1.800 . 5.000 3.756 3.181 5.008 0.008 14 0 "[ . 1 . 2]" 1
738 1 72 VAL MG1 1 77 CYS H 1.800 . 5.000 3.407 2.769 4.023 . 0 0 "[ . 1 . 2]" 1
739 1 72 VAL MG1 1 77 CYS HA 1.800 . 5.000 4.222 3.740 4.765 . 0 0 "[ . 1 . 2]" 1
740 1 72 VAL MG1 1 77 CYS HB2 1.800 . 5.000 3.281 2.136 4.556 . 0 0 "[ . 1 . 2]" 1
741 1 72 VAL MG1 1 77 CYS HB3 1.800 . 5.000 3.162 2.731 3.610 . 0 0 "[ . 1 . 2]" 1
742 1 72 VAL MG2 1 77 CYS QB 1.800 . 5.000 4.658 4.165 5.048 0.048 12 0 "[ . 1 . 2]" 1
743 1 73 THR H 1 73 THR MG 1.800 . 5.000 2.811 2.184 3.882 . 0 0 "[ . 1 . 2]" 1
744 1 73 THR H 1 76 GLU H 1.800 . 5.000 2.888 2.747 3.160 . 0 0 "[ . 1 . 2]" 1
745 1 73 THR H 1 76 GLU HB3 1.800 . 5.000 3.967 3.371 4.840 . 0 0 "[ . 1 . 2]" 1
746 1 73 THR H 1 76 GLU HB2 1.800 . 5.000 2.392 1.791 3.104 0.009 5 0 "[ . 1 . 2]" 1
747 1 73 THR H 1 76 GLU QG 1.800 . 5.000 2.812 1.753 3.416 0.047 13 0 "[ . 1 . 2]" 1
748 1 73 THR HB 1 74 SER QB 1.800 . 5.000 4.107 3.518 5.147 0.147 17 0 "[ . 1 . 2]" 1
749 1 73 THR MG 1 74 SER H 1.800 . 5.000 3.246 1.771 3.594 0.029 2 0 "[ . 1 . 2]" 1
750 1 73 THR MG 1 75 GLU H 1.800 . 5.000 3.706 1.765 4.375 0.035 3 0 "[ . 1 . 2]" 1
751 1 73 THR MG 1 75 GLU QB 1.800 . 5.000 3.990 2.152 4.738 . 0 0 "[ . 1 . 2]" 1
752 1 74 SER HA 1 77 CYS H 1.800 . 5.000 3.476 3.045 3.881 . 0 0 "[ . 1 . 2]" 1
753 1 74 SER HA 1 77 CYS QB 1.800 . 5.000 3.767 2.779 4.807 . 0 0 "[ . 1 . 2]" 1
754 1 75 GLU H 1 75 GLU HB2 1.800 . 3.500 2.492 2.298 2.779 . 0 0 "[ . 1 . 2]" 1
755 1 75 GLU H 1 75 GLU HB3 1.800 . 3.500 3.021 2.349 3.583 0.083 9 0 "[ . 1 . 2]" 1
756 1 75 GLU H 1 75 GLU HG2 1.800 . 5.000 3.766 2.210 4.639 . 0 0 "[ . 1 . 2]" 1
757 1 75 GLU H 1 75 GLU HG3 1.800 . 5.000 4.083 2.718 4.588 . 0 0 "[ . 1 . 2]" 1
758 1 75 GLU H 1 76 GLU H 1.800 . 3.500 2.359 2.149 2.543 . 0 0 "[ . 1 . 2]" 1
759 1 75 GLU H 1 77 CYS H 1.800 . 5.000 3.888 3.473 4.317 . 0 0 "[ . 1 . 2]" 1
760 1 75 GLU HA 1 77 CYS H 1.800 . 5.000 4.704 4.313 4.986 . 0 0 "[ . 1 . 2]" 1
761 1 75 GLU HB2 1 76 GLU H 1.800 . 5.000 3.351 2.324 4.110 . 0 0 "[ . 1 . 2]" 1
762 1 75 GLU HB3 1 76 GLU H 1.800 . 5.000 3.189 2.511 3.902 . 0 0 "[ . 1 . 2]" 1
763 1 76 GLU H 1 76 GLU HG2 1.800 . 5.000 3.321 2.017 4.078 . 0 0 "[ . 1 . 2]" 1
764 1 76 GLU H 1 76 GLU HG3 1.800 . 5.000 3.625 2.419 3.943 . 0 0 "[ . 1 . 2]" 1
765 1 76 GLU H 1 77 CYS H 1.800 . 3.000 2.410 2.184 2.597 . 0 0 "[ . 1 . 2]" 1
766 1 76 GLU HB2 1 77 CYS H 1.800 . 4.000 2.634 2.349 2.960 . 0 0 "[ . 1 . 2]" 1
767 1 76 GLU HB3 1 77 CYS H 1.800 . 4.000 3.612 3.293 3.989 . 0 0 "[ . 1 . 2]" 1
768 1 76 GLU QG 1 77 CYS H 1.800 . 5.000 4.219 3.641 4.653 . 0 0 "[ . 1 . 2]" 1
769 1 77 CYS H 1 78 ARG H 1.800 . 5.000 4.205 3.987 4.522 . 0 0 "[ . 1 . 2]" 1
770 1 77 CYS HA 1 78 ARG H 1.800 . 2.900 2.171 2.121 2.227 . 0 0 "[ . 1 . 2]" 1
771 1 78 ARG H 1 78 ARG QG 1.800 . 5.000 3.080 1.776 4.102 0.024 15 0 "[ . 1 . 2]" 1
772 1 78 ARG H 1 78 ARG QD 1.800 . 5.000 4.122 2.175 4.822 . 0 0 "[ . 1 . 2]" 1
773 1 78 ARG H 1 79 PHE H 1.800 . 5.000 4.408 4.149 4.571 . 0 0 "[ . 1 . 2]" 1
774 1 78 ARG HA 1 78 ARG QD 1.800 . 5.000 3.979 1.879 4.302 . 0 0 "[ . 1 . 2]" 1
775 1 78 ARG HA 1 79 PHE H 1.800 . 2.900 2.219 2.096 2.461 . 0 0 "[ . 1 . 2]" 1
776 1 78 ARG QG 1 79 PHE H 1.800 . 5.000 3.722 2.568 4.388 . 0 0 "[ . 1 . 2]" 1
777 1 79 PHE H 1 79 PHE QD 1.800 . 5.000 4.205 4.166 4.275 . 0 0 "[ . 1 . 2]" 1
778 1 79 PHE H 1 80 CYS H 1.800 . 5.000 4.366 4.210 4.542 . 0 0 "[ . 1 . 2]" 1
779 1 79 PHE HA 1 79 PHE QD 1.800 . 5.000 2.561 2.267 2.867 . 0 0 "[ . 1 . 2]" 1
780 1 79 PHE QE 1 81 HIS HA 1.800 . 5.000 3.378 2.719 4.212 . 0 0 "[ . 1 . 2]" 1
781 1 80 CYS H 1 81 HIS H 1.800 . 3.000 2.599 2.400 2.787 . 0 0 "[ . 1 . 2]" 1
782 1 81 HIS H 1 82 SER H 1.800 . 5.000 4.344 4.311 4.380 . 0 0 "[ . 1 . 2]" 1
783 1 81 HIS HA 1 82 SER H 1.800 . 2.900 2.510 2.286 2.763 . 0 0 "[ . 1 . 2]" 1
784 1 81 HIS HB2 1 82 SER H 1.800 . 3.500 2.241 1.947 3.671 0.171 20 0 "[ . 1 . 2]" 1
785 1 81 HIS HB3 1 82 SER H 1.800 . 3.500 3.459 2.108 3.595 0.095 6 0 "[ . 1 . 2]" 1
786 1 81 HIS HD2 1 83 GLU QB 1.800 . 5.000 2.850 2.218 5.070 0.070 14 0 "[ . 1 . 2]" 1
787 1 82 SER HA 1 83 GLU H 1.800 . 3.500 2.226 2.159 2.446 . 0 0 "[ . 1 . 2]" 1
788 1 82 SER HB2 1 83 GLU H 1.800 . 5.000 4.136 3.586 4.367 . 0 0 "[ . 1 . 2]" 1
789 1 82 SER HB3 1 83 GLU H 1.800 . 5.000 3.436 2.630 4.177 . 0 0 "[ . 1 . 2]" 1
790 1 83 GLU H 1 83 GLU HG2 1.800 . 5.000 2.782 2.127 5.002 0.002 2 0 "[ . 1 . 2]" 1
791 1 83 GLU H 1 83 GLU HG3 1.800 . 5.000 3.401 3.014 4.609 . 0 0 "[ . 1 . 2]" 1
792 1 83 GLU H 1 84 LYS H 1.800 . 5.000 4.406 4.321 4.493 . 0 0 "[ . 1 . 2]" 1
793 1 83 GLU HA 1 84 LYS H 1.800 . 3.500 2.522 2.242 2.752 . 0 0 "[ . 1 . 2]" 1
794 1 83 GLU HB2 1 84 LYS H 1.800 . 5.000 2.391 1.784 4.183 0.016 16 0 "[ . 1 . 2]" 1
795 1 83 GLU HB3 1 84 LYS H 1.800 . 5.000 3.575 3.351 3.739 . 0 0 "[ . 1 . 2]" 1
796 1 84 LYS H 1 84 LYS QG 1.800 . 5.000 3.034 1.797 4.037 0.003 5 0 "[ . 1 . 2]" 1
797 1 84 LYS QE 1 84 LYS HG2 1.800 . 5.000 2.560 2.307 3.293 . 0 0 "[ . 1 . 2]" 1
798 1 84 LYS QE 1 84 LYS HG3 1.800 . 5.000 2.600 2.331 3.309 . 0 0 "[ . 1 . 2]" 1
799 1 84 LYS HG2 1 85 ALA H 1.800 . 5.000 4.103 2.950 5.037 0.037 5 0 "[ . 1 . 2]" 1
800 1 84 LYS HG3 1 85 ALA H 1.800 . 5.000 4.094 2.796 5.057 0.057 11 0 "[ . 1 . 2]" 1
801 1 85 ALA H 1 86 PRO QD 1.800 . 5.000 4.199 3.957 4.402 . 0 0 "[ . 1 . 2]" 1
802 1 85 ALA HA 1 86 PRO QG 1.800 . 5.000 3.800 3.739 3.925 . 0 0 "[ . 1 . 2]" 1
803 1 85 ALA HA 1 86 PRO HD2 1.800 . 5.000 2.396 1.860 2.880 . 0 0 "[ . 1 . 2]" 1
804 1 85 ALA HA 1 86 PRO HD3 1.800 . 5.000 2.079 1.873 2.650 . 0 0 "[ . 1 . 2]" 1
805 1 85 ALA MB 1 86 PRO HD2 1.800 . 5.000 2.973 2.315 3.477 . 0 0 "[ . 1 . 2]" 1
806 1 85 ALA MB 1 86 PRO HD3 1.800 . 5.000 3.561 2.978 4.154 . 0 0 "[ . 1 . 2]" 1
807 1 85 ALA MB 1 89 VAL HB 1.800 . 5.000 4.549 3.988 5.026 0.026 17 0 "[ . 1 . 2]" 1
808 1 85 ALA MB 1 89 VAL MG1 1.800 . 5.000 4.311 3.898 4.753 . 0 0 "[ . 1 . 2]" 1
809 1 85 ALA MB 1 90 ILE H 1.800 . 5.000 4.182 3.821 4.562 . 0 0 "[ . 1 . 2]" 1
810 1 85 ALA MB 1 90 ILE HA 1.800 . 5.000 4.005 3.500 4.415 . 0 0 "[ . 1 . 2]" 1
811 1 85 ALA MB 1 90 ILE QG 1.800 . 5.000 2.932 1.903 3.438 . 0 0 "[ . 1 . 2]" 1
812 1 85 ALA MB 1 90 ILE MD 1.800 . 5.000 1.899 1.785 2.249 0.015 13 0 "[ . 1 . 2]" 1
813 1 85 ALA MB 1 93 ILE MD 1.800 . 5.000 3.624 3.173 4.408 . 0 0 "[ . 1 . 2]" 1
814 1 86 PRO HB2 1 87 ASP H 1.800 . 5.000 3.385 2.788 3.838 . 0 0 "[ . 1 . 2]" 1
815 1 86 PRO HB3 1 87 ASP H 1.800 . 5.000 3.383 3.111 3.823 . 0 0 "[ . 1 . 2]" 1
816 1 86 PRO QB 1 89 VAL MG1 1.800 . 5.000 3.108 1.855 4.140 . 0 0 "[ . 1 . 2]" 1
817 1 86 PRO QB 1 89 VAL MG2 1.800 . 5.000 3.159 2.373 3.779 . 0 0 "[ . 1 . 2]" 1
818 1 86 PRO QG 1 89 VAL H 1.800 . 5.000 3.975 2.660 4.716 . 0 0 "[ . 1 . 2]" 1
819 1 86 PRO QG 1 89 VAL MG1 1.800 . 5.000 2.922 2.172 3.938 . 0 0 "[ . 1 . 2]" 1
820 1 86 PRO QG 1 89 VAL MG2 1.800 . 5.000 3.090 1.952 3.802 . 0 0 "[ . 1 . 2]" 1
821 1 86 PRO QD 1 89 VAL HB 1.800 . 5.000 4.488 4.022 4.843 . 0 0 "[ . 1 . 2]" 1
822 1 86 PRO QD 1 89 VAL MG1 1.800 . 5.000 3.038 2.356 3.506 . 0 0 "[ . 1 . 2]" 1
823 1 86 PRO HD2 1 89 VAL MG2 1.800 . 5.000 2.095 1.841 2.318 . 0 0 "[ . 1 . 2]" 1
824 1 86 PRO HD3 1 89 VAL MG2 1.800 . 5.000 3.488 3.132 3.729 . 0 0 "[ . 1 . 2]" 1
825 1 87 ASP H 1 87 ASP HB2 1.800 . 3.500 2.662 2.223 3.569 0.069 2 0 "[ . 1 . 2]" 1
826 1 87 ASP H 1 87 ASP HB3 1.800 . 3.500 2.821 2.409 3.567 0.067 1 0 "[ . 1 . 2]" 1
827 1 87 ASP H 1 88 GLU H 1.800 . 4.000 2.716 2.623 2.892 . 0 0 "[ . 1 . 2]" 1
828 1 87 ASP HA 1 90 ILE H 1.800 . 5.000 3.353 2.976 3.799 . 0 0 "[ . 1 . 2]" 1
829 1 87 ASP HA 1 90 ILE HB 1.800 . 5.000 2.759 2.036 3.797 . 0 0 "[ . 1 . 2]" 1
830 1 87 ASP HA 1 90 ILE QG 1.800 . 5.000 2.238 1.795 3.198 0.005 7 0 "[ . 1 . 2]" 1
831 1 87 ASP HA 1 90 ILE MG 1.800 . 5.000 3.816 3.315 4.398 . 0 0 "[ . 1 . 2]" 1
832 1 87 ASP HA 1 90 ILE MD 1.800 . 4.000 3.452 1.781 4.024 0.024 13 0 "[ . 1 . 2]" 1
833 1 88 GLU H 1 88 GLU HG2 1.800 . 5.000 3.736 1.802 4.595 . 0 0 "[ . 1 . 2]" 1
834 1 88 GLU H 1 88 GLU HG3 1.800 . 5.000 4.071 2.098 4.492 . 0 0 "[ . 1 . 2]" 1
835 1 88 GLU H 1 89 VAL H 1.800 . 5.000 2.791 2.432 2.953 . 0 0 "[ . 1 . 2]" 1
836 1 88 GLU HA 1 91 GLU H 1.800 . 5.000 4.248 3.638 4.938 . 0 0 "[ . 1 . 2]" 1
837 1 88 GLU QB 1 89 VAL MG1 1.800 . 5.000 2.874 2.422 4.018 . 0 0 "[ . 1 . 2]" 1
838 1 88 GLU QG 1 89 VAL H 1.800 . 5.000 3.601 2.472 4.111 . 0 0 "[ . 1 . 2]" 1
839 1 88 GLU HG2 1 89 VAL MG1 1.800 . 5.000 3.900 2.375 5.061 0.061 2 0 "[ . 1 . 2]" 1
840 1 88 GLU HG3 1 89 VAL MG1 1.800 . 5.000 4.342 3.312 5.016 0.016 20 0 "[ . 1 . 2]" 1
841 1 89 VAL H 1 89 VAL MG1 1.800 . 5.000 2.236 1.943 2.511 . 0 0 "[ . 1 . 2]" 1
842 1 89 VAL H 1 89 VAL MG2 1.800 . 4.000 2.161 2.020 2.460 . 0 0 "[ . 1 . 2]" 1
843 1 89 VAL H 1 90 ILE QG 1.800 . 5.000 3.634 2.957 3.896 . 0 0 "[ . 1 . 2]" 1
844 1 89 VAL HA 1 89 VAL MG1 1.800 . 3.000 2.408 2.344 2.528 . 0 0 "[ . 1 . 2]" 1
845 1 89 VAL HA 1 92 ALA MB 1.800 . 5.000 2.574 2.107 3.267 . 0 0 "[ . 1 . 2]" 1
846 1 89 VAL HA 1 99 PHE QD 1.800 . 5.000 4.031 3.456 4.660 . 0 0 "[ . 1 . 2]" 1
847 1 89 VAL HB 1 90 ILE H 1.800 . 5.000 4.139 4.014 4.374 . 0 0 "[ . 1 . 2]" 1
848 1 89 VAL HB 1 92 ALA MB 1.800 . 5.000 3.653 3.301 4.206 . 0 0 "[ . 1 . 2]" 1
849 1 89 VAL HB 1 93 ILE MD 1.800 . 5.000 3.034 2.389 3.768 . 0 0 "[ . 1 . 2]" 1
850 1 89 VAL HB 1 99 PHE HB2 1.800 . 5.000 3.651 3.152 4.823 . 0 0 "[ . 1 . 2]" 1
851 1 89 VAL HB 1 99 PHE HB3 1.800 . 5.000 3.581 3.043 4.056 . 0 0 "[ . 1 . 2]" 1
852 1 89 VAL MG1 1 90 ILE H 1.800 . 5.000 3.967 3.703 4.121 . 0 0 "[ . 1 . 2]" 1
853 1 89 VAL MG2 1 90 ILE H 1.800 . 5.000 2.589 2.391 2.889 . 0 0 "[ . 1 . 2]" 1
854 1 89 VAL MG2 1 90 ILE HA 1.800 . 5.000 3.152 2.776 3.262 . 0 0 "[ . 1 . 2]" 1
855 1 89 VAL MG2 1 90 ILE QG 1.800 . 5.000 2.884 2.305 3.210 . 0 0 "[ . 1 . 2]" 1
856 1 89 VAL MG1 1 90 ILE MD 1.800 . 5.000 5.016 4.926 5.083 0.083 15 0 "[ . 1 . 2]" 1
857 1 89 VAL MG2 1 90 ILE MD 1.800 . 5.000 2.827 2.572 3.634 . 0 0 "[ . 1 . 2]" 1
858 1 89 VAL MG1 1 92 ALA MB 1.800 . 5.000 3.895 3.570 4.702 . 0 0 "[ . 1 . 2]" 1
859 1 89 VAL MG2 1 92 ALA MB 1.800 . 5.000 4.432 4.198 4.853 . 0 0 "[ . 1 . 2]" 1
860 1 89 VAL MG1 1 93 ILE QG 1.800 . 5.000 4.437 3.929 4.983 . 0 0 "[ . 1 . 2]" 1
861 1 89 VAL MG1 1 93 ILE MD 1.800 . 5.000 4.124 3.464 4.796 . 0 0 "[ . 1 . 2]" 1
862 1 89 VAL MG2 1 93 ILE MD 1.800 . 5.000 2.744 2.185 3.756 . 0 0 "[ . 1 . 2]" 1
863 1 89 VAL MG1 1 99 PHE HB2 1.800 . 5.000 4.384 3.541 5.022 0.022 15 0 "[ . 1 . 2]" 1
864 1 89 VAL MG1 1 99 PHE HB3 1.800 . 5.000 4.125 3.176 4.955 . 0 0 "[ . 1 . 2]" 1
865 1 89 VAL MG1 1 99 PHE QD 1.800 . 5.000 3.225 2.518 4.163 . 0 0 "[ . 1 . 2]" 1
866 1 90 ILE H 1 90 ILE HG12 1.800 . 5.000 2.327 1.960 3.566 . 0 0 "[ . 1 . 2]" 1
867 1 90 ILE H 1 90 ILE HG13 1.800 . 5.000 3.396 2.087 3.703 . 0 0 "[ . 1 . 2]" 1
868 1 90 ILE H 1 90 ILE MD 1.800 . 5.000 3.198 3.030 3.656 . 0 0 "[ . 1 . 2]" 1
869 1 90 ILE H 1 91 GLU H 1.800 . 3.500 2.754 2.553 2.955 . 0 0 "[ . 1 . 2]" 1
870 1 90 ILE HA 1 90 ILE MD 1.800 . 5.000 2.267 1.934 3.811 . 0 0 "[ . 1 . 2]" 1
871 1 90 ILE HA 1 92 ALA H 1.800 . 5.000 4.358 4.099 4.630 . 0 0 "[ . 1 . 2]" 1
872 1 90 ILE HA 1 93 ILE H 1.800 . 5.000 3.686 3.201 4.105 . 0 0 "[ . 1 . 2]" 1
873 1 90 ILE HA 1 93 ILE HB 1.800 . 5.000 3.206 2.471 3.707 . 0 0 "[ . 1 . 2]" 1
874 1 90 ILE HA 1 93 ILE MD 1.800 . 5.000 3.300 2.458 4.481 . 0 0 "[ . 1 . 2]" 1
875 1 90 ILE HA 1 94 LYS H 1.800 . 5.000 4.152 3.748 4.580 . 0 0 "[ . 1 . 2]" 1
876 1 90 ILE HB 1 91 GLU H 1.800 . 5.000 2.459 2.135 2.832 . 0 0 "[ . 1 . 2]" 1
877 1 90 ILE HB 1 91 GLU QB 1.800 . 5.000 4.132 3.699 4.819 . 0 0 "[ . 1 . 2]" 1
878 1 90 ILE HG12 1 90 ILE MG 1.800 . 5.000 3.074 2.318 3.205 . 0 0 "[ . 1 . 2]" 1
879 1 90 ILE HG13 1 90 ILE MG 1.800 . 5.000 2.471 2.310 3.209 . 0 0 "[ . 1 . 2]" 1
880 1 90 ILE HG12 1 91 GLU H 1.800 . 5.000 4.286 3.965 5.022 0.022 17 0 "[ . 1 . 2]" 1
881 1 90 ILE HG13 1 91 GLU H 1.800 . 5.000 4.733 4.267 5.028 0.028 19 0 "[ . 1 . 2]" 1
882 1 90 ILE MG 1 91 GLU HA 1.800 . 5.000 3.322 3.110 3.588 . 0 0 "[ . 1 . 2]" 1
883 1 90 ILE MG 1 91 GLU H 1.800 . 5.000 3.270 3.012 3.565 . 0 0 "[ . 1 . 2]" 1
884 1 90 ILE MG 1 94 LYS QG 1.800 . 5.000 3.981 2.261 5.006 0.006 2 0 "[ . 1 . 2]" 1
885 1 90 ILE MG 1 94 LYS QD 1.800 . 5.000 3.473 1.884 4.883 . 0 0 "[ . 1 . 2]" 1
886 1 90 ILE MG 1 94 LYS QE 1.800 . 5.000 3.096 1.792 5.031 0.031 6 0 "[ . 1 . 2]" 1
887 1 91 GLU H 1 91 GLU QB 1.800 . 3.900 2.324 2.092 2.569 . 0 0 "[ . 1 . 2]" 1
888 1 91 GLU H 1 91 GLU QG 1.800 . 5.000 3.078 1.930 4.039 . 0 0 "[ . 1 . 2]" 1
889 1 91 GLU H 1 92 ALA H 1.800 . 3.500 2.641 2.415 2.829 . 0 0 "[ . 1 . 2]" 1
890 1 91 GLU H 1 93 ILE H 1.800 . 5.000 4.341 4.072 4.608 . 0 0 "[ . 1 . 2]" 1
891 1 91 GLU HA 1 94 LYS QB 1.800 . 5.000 2.590 2.063 3.636 . 0 0 "[ . 1 . 2]" 1
892 1 91 GLU HA 1 94 LYS QD 1.800 . 5.000 3.568 2.062 5.019 0.019 8 0 "[ . 1 . 2]" 1
893 1 91 GLU HA 1 94 LYS QE 1.800 . 5.000 3.095 1.790 4.687 0.010 13 0 "[ . 1 . 2]" 1
894 1 91 GLU QB 1 92 ALA MB 1.800 . 5.000 3.951 3.584 4.827 . 0 0 "[ . 1 . 2]" 1
895 1 91 GLU QG 1 92 ALA H 1.800 . 5.000 3.761 2.460 4.582 . 0 0 "[ . 1 . 2]" 1
896 1 92 ALA H 1 93 ILE H 1.800 . 3.500 2.674 2.410 2.886 . 0 0 "[ . 1 . 2]" 1
897 1 92 ALA HA 1 95 GLN H 1.800 . 5.000 3.565 3.317 3.770 . 0 0 "[ . 1 . 2]" 1
898 1 92 ALA HA 1 95 GLN QB 1.800 . 5.000 3.015 2.486 3.692 . 0 0 "[ . 1 . 2]" 1
899 1 92 ALA HA 1 96 ASN H 1.800 . 5.000 3.859 3.216 4.661 . 0 0 "[ . 1 . 2]" 1
900 1 92 ALA HA 1 96 ASN HD21 1.800 . 5.000 3.614 2.682 5.031 0.031 2 0 "[ . 1 . 2]" 1
901 1 92 ALA HA 1 96 ASN HD22 1.800 . 5.000 4.026 2.901 4.996 . 0 0 "[ . 1 . 2]" 1
902 1 92 ALA MB 1 93 ILE HA 1.800 . 5.000 3.820 3.721 3.883 . 0 0 "[ . 1 . 2]" 1
903 1 92 ALA MB 1 93 ILE MD 1.800 . 5.000 4.204 3.280 4.501 . 0 0 "[ . 1 . 2]" 1
904 1 92 ALA MB 1 95 GLN H 1.800 . 5.000 4.577 4.347 4.737 . 0 0 "[ . 1 . 2]" 1
905 1 92 ALA MB 1 95 GLN QB 1.800 . 5.000 4.292 3.936 4.797 . 0 0 "[ . 1 . 2]" 1
906 1 92 ALA MB 1 96 ASN H 1.800 . 5.000 4.416 4.008 5.009 0.009 5 0 "[ . 1 . 2]" 1
907 1 92 ALA MB 1 96 ASN HD21 1.800 . 5.000 3.442 2.214 5.038 0.038 16 0 "[ . 1 . 2]" 1
908 1 92 ALA MB 1 96 ASN HD22 1.800 . 5.000 3.863 2.542 4.919 . 0 0 "[ . 1 . 2]" 1
909 1 92 ALA MB 1 99 PHE HA 1.800 . 5.000 3.737 2.927 4.498 . 0 0 "[ . 1 . 2]" 1
910 1 92 ALA MB 1 99 PHE HB2 1.800 . 5.000 2.737 1.941 3.351 . 0 0 "[ . 1 . 2]" 1
911 1 92 ALA MB 1 99 PHE HB3 1.800 . 5.000 4.077 3.328 4.667 . 0 0 "[ . 1 . 2]" 1
912 1 92 ALA MB 1 99 PHE QD 1.800 . 5.000 2.159 1.926 2.572 . 0 0 "[ . 1 . 2]" 1
913 1 92 ALA MB 1 99 PHE QE 1.800 . 5.000 3.254 2.957 3.741 . 0 0 "[ . 1 . 2]" 1
914 1 93 ILE H 1 93 ILE HG12 1.800 . 5.000 3.335 2.165 3.486 . 0 0 "[ . 1 . 2]" 1
915 1 93 ILE H 1 93 ILE HG13 1.800 . 5.000 2.190 2.007 3.654 . 0 0 "[ . 1 . 2]" 1
916 1 93 ILE H 1 93 ILE MD 1.800 . 5.000 3.532 3.109 3.670 . 0 0 "[ . 1 . 2]" 1
917 1 93 ILE H 1 94 LYS H 1.800 . 3.500 2.575 2.494 2.723 . 0 0 "[ . 1 . 2]" 1
918 1 93 ILE HA 1 93 ILE MD 1.800 . 5.000 3.746 1.960 3.872 . 0 0 "[ . 1 . 2]" 1
919 1 93 ILE HA 1 96 ASN H 1.800 . 5.000 3.628 3.174 4.196 . 0 0 "[ . 1 . 2]" 1
920 1 93 ILE HA 1 96 ASN QB 1.800 . 5.000 3.833 3.066 5.063 0.063 18 0 "[ . 1 . 2]" 1
921 1 93 ILE HA 1 97 GLY H 1.800 . 5.000 2.825 2.027 3.267 . 0 0 "[ . 1 . 2]" 1
922 1 93 ILE HA 1 98 TYR H 1.800 . 5.000 2.978 2.605 3.321 . 0 0 "[ . 1 . 2]" 1
923 1 93 ILE HA 1 98 TYR HA 1.800 . 5.000 3.580 3.058 4.334 . 0 0 "[ . 1 . 2]" 1
924 1 93 ILE HG12 1 98 TYR HA 1.800 . 5.000 3.197 2.641 5.009 0.009 19 0 "[ . 1 . 2]" 1
925 1 93 ILE HG13 1 98 TYR HA 1.800 . 5.000 4.785 4.376 5.016 0.016 19 0 "[ . 1 . 2]" 1
926 1 93 ILE QG 1 99 PHE H 1.800 . 5.000 3.086 2.549 4.767 . 0 0 "[ . 1 . 2]" 1
927 1 93 ILE HG12 1 99 PHE QB 1.800 . 5.000 2.578 2.011 3.464 . 0 0 "[ . 1 . 2]" 1
928 1 93 ILE HG13 1 99 PHE QB 1.800 . 5.000 2.671 2.177 4.305 . 0 0 "[ . 1 . 2]" 1
929 1 93 ILE MG 1 94 LYS H 1.800 . 5.000 3.610 3.442 3.886 . 0 0 "[ . 1 . 2]" 1
930 1 93 ILE MG 1 94 LYS HA 1.800 . 5.000 3.593 3.366 3.774 . 0 0 "[ . 1 . 2]" 1
931 1 93 ILE MG 1 97 GLY H 1.800 . 5.000 3.704 3.156 4.196 . 0 0 "[ . 1 . 2]" 1
932 1 93 ILE MG 1 97 GLY QA 1.800 . 5.000 3.060 1.997 3.541 . 0 0 "[ . 1 . 2]" 1
933 1 93 ILE MG 1 98 TYR H 1.800 . 5.000 3.739 3.098 4.439 . 0 0 "[ . 1 . 2]" 1
934 1 93 ILE MG 1 98 TYR HA 1.800 . 5.000 2.826 2.353 3.937 . 0 0 "[ . 1 . 2]" 1
935 1 93 ILE MD 1 98 TYR HA 1.800 . 5.000 3.954 2.323 4.414 . 0 0 "[ . 1 . 2]" 1
936 1 93 ILE MD 1 99 PHE H 1.800 . 5.000 3.810 2.760 4.389 . 0 0 "[ . 1 . 2]" 1
937 1 93 ILE MD 1 99 PHE HB2 1.800 . 5.000 3.426 2.559 4.275 . 0 0 "[ . 1 . 2]" 1
938 1 93 ILE MD 1 99 PHE HB3 1.800 . 5.000 3.129 2.605 3.794 . 0 0 "[ . 1 . 2]" 1
939 1 94 LYS H 1 94 LYS QB 1.800 . 3.900 2.280 2.148 2.456 . 0 0 "[ . 1 . 2]" 1
940 1 94 LYS H 1 94 LYS QG 1.800 . 5.000 3.384 2.178 3.981 . 0 0 "[ . 1 . 2]" 1
941 1 94 LYS H 1 94 LYS QD 1.800 . 5.000 4.372 3.447 4.822 . 0 0 "[ . 1 . 2]" 1
942 1 94 LYS H 1 95 GLN H 1.800 . 3.500 2.575 2.405 2.811 . 0 0 "[ . 1 . 2]" 1
943 1 94 LYS HA 1 95 GLN H 1.800 . 3.500 3.478 3.369 3.532 0.032 20 0 "[ . 1 . 2]" 1
944 1 94 LYS QB 1 94 LYS QD 1.800 . 5.000 2.293 2.059 2.391 . 0 0 "[ . 1 . 2]" 1
945 1 94 LYS QB 1 94 LYS QE 1.800 . 5.000 2.261 1.791 3.669 0.009 7 0 "[ . 1 . 2]" 1
946 1 94 LYS QB 1 95 GLN H 1.800 . 4.500 2.771 2.270 3.173 . 0 0 "[ . 1 . 2]" 1
947 1 94 LYS QE 1 94 LYS HG2 1.800 . 5.000 2.835 2.282 3.500 . 0 0 "[ . 1 . 2]" 1
948 1 94 LYS QE 1 94 LYS HG3 1.800 . 5.000 2.933 2.348 3.497 . 0 0 "[ . 1 . 2]" 1
949 1 94 LYS HG2 1 95 GLN H 1.800 . 5.000 4.274 3.499 5.089 0.089 18 0 "[ . 1 . 2]" 1
950 1 94 LYS HG3 1 95 GLN H 1.800 . 5.000 4.717 4.240 5.011 0.011 2 0 "[ . 1 . 2]" 1
951 1 95 GLN H 1 95 GLN QB 1.800 . 3.900 2.340 2.227 2.517 . 0 0 "[ . 1 . 2]" 1
952 1 95 GLN H 1 95 GLN HG2 1.800 . 5.000 3.925 2.114 4.671 . 0 0 "[ . 1 . 2]" 1
953 1 95 GLN H 1 95 GLN HG3 1.800 . 5.000 3.989 2.497 4.715 . 0 0 "[ . 1 . 2]" 1
954 1 95 GLN H 1 96 ASN H 1.800 . 3.500 2.492 2.162 2.714 . 0 0 "[ . 1 . 2]" 1
955 1 95 GLN H 1 97 GLY H 1.800 . 5.000 3.636 3.347 3.839 . 0 0 "[ . 1 . 2]" 1
956 1 95 GLN QB 1 96 ASN H 1.800 . 4.500 2.422 2.122 2.781 . 0 0 "[ . 1 . 2]" 1
957 1 95 GLN QB 1 96 ASN QD 1.800 . 5.000 3.117 2.383 4.113 . 0 0 "[ . 1 . 2]" 1
958 1 95 GLN QB 1 97 GLY H 1.800 . 5.000 4.399 4.082 4.584 . 0 0 "[ . 1 . 2]" 1
959 1 96 ASN H 1 96 ASN QB 1.800 . 3.900 2.491 2.364 2.915 . 0 0 "[ . 1 . 2]" 1
960 1 96 ASN H 1 96 ASN HD21 1.800 . 5.000 3.005 2.342 3.999 . 0 0 "[ . 1 . 2]" 1
961 1 96 ASN H 1 96 ASN HD22 1.800 . 5.000 3.959 3.076 4.579 . 0 0 "[ . 1 . 2]" 1
962 1 96 ASN H 1 97 GLY QA 1.800 . 5.000 4.226 4.069 4.347 . 0 0 "[ . 1 . 2]" 1
963 1 96 ASN H 1 97 GLY H 1.800 . 3.500 2.254 2.034 2.427 . 0 0 "[ . 1 . 2]" 1
964 1 96 ASN H 1 98 TYR H 1.800 . 5.000 3.818 3.371 4.228 . 0 0 "[ . 1 . 2]" 1
965 1 96 ASN QB 1 97 GLY H 1.800 . 4.000 3.002 2.757 3.474 . 0 0 "[ . 1 . 2]" 1
966 1 96 ASN QB 1 98 TYR H 1.800 . 5.000 2.546 2.121 3.851 . 0 0 "[ . 1 . 2]" 1
967 1 96 ASN QB 1 98 TYR QE 1.800 . 5.000 3.363 2.312 4.642 . 0 0 "[ . 1 . 2]" 1
968 1 97 GLY H 1 98 TYR H 1.800 . 3.500 2.486 2.139 2.850 . 0 0 "[ . 1 . 2]" 1
969 1 98 TYR H 1 98 TYR QD 1.800 . 5.000 2.923 2.537 3.247 . 0 0 "[ . 1 . 2]" 1
970 1 98 TYR H 1 99 PHE H 1.800 . 5.000 4.292 3.968 4.419 . 0 0 "[ . 1 . 2]" 1
971 1 98 TYR HA 1 98 TYR QD 1.800 . 5.000 3.744 3.702 3.759 . 0 0 "[ . 1 . 2]" 1
972 1 98 TYR HA 1 99 PHE H 1.800 . 2.900 2.314 2.131 2.471 . 0 0 "[ . 1 . 2]" 1
973 1 98 TYR QD 1 99 PHE H 1.800 . 5.000 3.745 3.247 4.712 . 0 0 "[ . 1 . 2]" 1
974 1 98 TYR QD 1 100 ILE QG 1.800 . 5.000 2.672 1.851 4.113 . 0 0 "[ . 1 . 2]" 1
975 1 98 TYR QD 1 100 ILE MD 1.800 . 5.000 2.246 1.797 2.862 0.003 2 0 "[ . 1 . 2]" 1
976 1 98 TYR QE 1 100 ILE QG 1.800 . 5.000 3.024 1.988 4.719 . 0 0 "[ . 1 . 2]" 1
977 1 98 TYR QE 1 100 ILE MD 1.800 . 5.000 3.009 2.333 3.729 . 0 0 "[ . 1 . 2]" 1
978 1 99 PHE HA 1 99 PHE QD 1.800 . 5.000 2.687 2.386 2.866 . 0 0 "[ . 1 . 2]" 1
979 1 99 PHE HA 1 100 ILE H 1.800 . 2.900 2.142 2.123 2.166 . 0 0 "[ . 1 . 2]" 1
980 1 99 PHE HB2 1 100 ILE H 1.800 . 5.000 4.344 4.237 4.474 . 0 0 "[ . 1 . 2]" 1
981 1 99 PHE HB3 1 100 ILE H 1.800 . 5.000 4.283 4.153 4.380 . 0 0 "[ . 1 . 2]" 1
982 1 99 PHE QD 1 100 ILE H 1.800 . 5.000 3.682 3.352 3.963 . 0 0 "[ . 1 . 2]" 1
983 1 99 PHE QD 1 101 TYR QB 1.800 . 5.000 2.911 2.527 3.418 . 0 0 "[ . 1 . 2]" 1
984 1 100 ILE H 1 100 ILE QG 1.800 . 5.000 2.813 2.314 3.799 . 0 0 "[ . 1 . 2]" 1
985 1 100 ILE H 1 100 ILE MD 1.800 . 5.000 3.148 2.167 3.592 . 0 0 "[ . 1 . 2]" 1
986 1 100 ILE HA 1 100 ILE MD 1.800 . 5.000 2.247 1.986 2.953 . 0 0 "[ . 1 . 2]" 1
987 1 100 ILE HA 1 101 TYR H 1.800 . 2.900 2.167 2.122 2.210 . 0 0 "[ . 1 . 2]" 1
988 1 100 ILE MG 1 101 TYR H 1.800 . 5.000 3.145 2.666 3.380 . 0 0 "[ . 1 . 2]" 1
989 1 100 ILE MG 1 102 LYS H 1.800 . 4.000 3.632 3.133 3.993 . 0 0 "[ . 1 . 2]" 1
990 1 100 ILE MG 1 102 LYS HA 1.800 . 5.000 3.646 3.226 4.045 . 0 0 "[ . 1 . 2]" 1
991 1 100 ILE MG 1 102 LYS QG 1.800 . 5.000 2.957 2.235 4.468 . 0 0 "[ . 1 . 2]" 1
992 1 100 ILE MG 1 102 LYS QD 1.800 . 5.000 4.104 2.533 4.760 . 0 0 "[ . 1 . 2]" 1
993 1 100 ILE MG 1 102 LYS QE 1.800 . 5.000 3.673 2.923 4.644 . 0 0 "[ . 1 . 2]" 1
994 1 100 ILE MD 1 101 TYR H 1.800 . 5.000 4.052 3.737 4.727 . 0 0 "[ . 1 . 2]" 1
995 1 101 TYR H 1 101 TYR QD 1.800 . 5.000 4.221 4.112 4.269 . 0 0 "[ . 1 . 2]" 1
996 1 101 TYR H 1 102 LYS H 1.800 . 5.000 4.305 4.087 4.450 . 0 0 "[ . 1 . 2]" 1
997 1 101 TYR HA 1 101 TYR QD 1.800 . 5.000 2.658 2.136 2.875 . 0 0 "[ . 1 . 2]" 1
998 1 101 TYR HA 1 102 LYS H 1.800 . 2.900 2.149 2.111 2.216 . 0 0 "[ . 1 . 2]" 1
999 1 101 TYR HB2 1 102 LYS H 1.800 . 5.000 4.347 4.161 4.512 . 0 0 "[ . 1 . 2]" 1
1000 1 101 TYR HB3 1 102 LYS H 1.800 . 5.000 4.350 4.187 4.496 . 0 0 "[ . 1 . 2]" 1
1001 1 101 TYR QD 1 102 LYS H 1.800 . 5.000 3.658 3.089 4.070 . 0 0 "[ . 1 . 2]" 1
1002 1 101 TYR QD 1 103 MET ME 1.800 . 5.000 4.014 3.034 5.019 0.019 19 0 "[ . 1 . 2]" 1
1003 1 101 TYR QE 1 103 MET HA 1.800 . 5.000 2.817 1.937 4.318 . 0 0 "[ . 1 . 2]" 1
1004 1 101 TYR QE 1 103 MET ME 1.800 . 5.000 4.276 2.396 5.009 0.009 20 0 "[ . 1 . 2]" 1
1005 1 102 LYS H 1 102 LYS QG 1.800 . 5.000 2.431 1.964 3.841 . 0 0 "[ . 1 . 2]" 1
1006 1 102 LYS H 1 102 LYS QD 1.800 . 5.000 3.630 1.789 4.760 0.011 14 0 "[ . 1 . 2]" 1
1007 1 102 LYS H 1 102 LYS QE 1.800 . 5.000 4.305 3.191 4.922 . 0 0 "[ . 1 . 2]" 1
1008 1 102 LYS HA 1 102 LYS QD 1.800 . 5.000 3.799 2.090 4.270 . 0 0 "[ . 1 . 2]" 1
1009 1 102 LYS HA 1 102 LYS QE 1.800 . 5.000 4.591 3.911 5.104 0.104 14 0 "[ . 1 . 2]" 1
1010 1 102 LYS QB 1 102 LYS QD 1.800 . 5.000 2.183 2.106 2.475 . 0 0 "[ . 1 . 2]" 1
1011 1 102 LYS HB2 1 102 LYS QE 1.800 . 5.000 3.685 1.875 4.574 . 0 0 "[ . 1 . 2]" 1
1012 1 102 LYS HB3 1 102 LYS QE 1.800 . 5.000 3.761 1.999 4.402 . 0 0 "[ . 1 . 2]" 1
1013 1 102 LYS QB 1 106 CYS QB 1.800 . 5.000 3.357 1.793 5.039 0.039 3 0 "[ . 1 . 2]" 1
1014 1 102 LYS QE 1 102 LYS HG2 1.800 . 5.000 2.561 2.290 3.311 . 0 0 "[ . 1 . 2]" 1
1015 1 102 LYS QE 1 102 LYS HG3 1.800 . 5.000 2.630 2.318 3.299 . 0 0 "[ . 1 . 2]" 1
1016 1 102 LYS QG 1 103 MET H 1.800 . 5.000 4.353 3.550 4.774 . 0 0 "[ . 1 . 2]" 1
1017 1 103 MET H 1 103 MET QG 1.800 . 5.000 3.812 2.002 4.079 . 0 0 "[ . 1 . 2]" 1
1018 1 103 MET H 1 103 MET ME 1.800 . 5.000 4.091 3.910 4.612 . 0 0 "[ . 1 . 2]" 1
1019 1 103 MET H 1 104 GLU H 1.800 . 5.000 3.001 2.429 4.617 . 0 0 "[ . 1 . 2]" 1
1020 1 103 MET HA 1 103 MET ME 1.800 . 5.000 4.011 3.624 4.309 . 0 0 "[ . 1 . 2]" 1
1021 1 103 MET HB2 1 103 MET ME 1.800 . 5.000 2.175 1.948 3.208 . 0 0 "[ . 1 . 2]" 1
1022 1 103 MET HB3 1 103 MET ME 1.800 . 5.000 2.661 1.802 3.155 . 0 0 "[ . 1 . 2]" 1
1023 1 103 MET HB2 1 104 GLU H 1.800 . 5.000 3.485 1.913 3.978 . 0 0 "[ . 1 . 2]" 1
1024 1 103 MET HB3 1 104 GLU H 1.800 . 5.000 2.398 1.786 3.832 0.014 16 0 "[ . 1 . 2]" 1
1025 1 103 MET QG 1 104 GLU H 1.800 . 5.000 3.178 1.921 4.146 . 0 0 "[ . 1 . 2]" 1
1026 1 103 MET ME 1 104 GLU H 1.800 . 5.000 4.468 2.767 5.024 0.024 18 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 34
_Distance_constraint_stats_list.Viol_count 59
_Distance_constraint_stats_list.Viol_total 18.320
_Distance_constraint_stats_list.Viol_max 0.067
_Distance_constraint_stats_list.Viol_rms 0.0060
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0155
_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 26 HIS 0.534 0.067 13 0 "[ . 1 . 2]"
1 28 TYR 0.040 0.018 5 0 "[ . 1 . 2]"
1 31 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 0.180 0.045 1 0 "[ . 1 . 2]"
1 40 MET 0.180 0.045 1 0 "[ . 1 . 2]"
1 44 VAL 0.040 0.018 5 0 "[ . 1 . 2]"
1 45 PHE 0.021 0.014 19 0 "[ . 1 . 2]"
1 46 THR 0.534 0.067 13 0 "[ . 1 . 2]"
1 52 LYS 0.052 0.025 4 0 "[ . 1 . 2]"
1 53 LYS 0.001 0.001 5 0 "[ . 1 . 2]"
1 54 ALA 0.024 0.020 2 0 "[ . 1 . 2]"
1 55 ILE 0.006 0.006 18 0 "[ . 1 . 2]"
1 56 GLU 0.052 0.025 4 0 "[ . 1 . 2]"
1 57 PHE 0.001 0.001 5 0 "[ . 1 . 2]"
1 58 ALA 0.029 0.020 2 0 "[ . 1 . 2]"
1 59 LYS 0.006 0.006 18 0 "[ . 1 . 2]"
1 61 TRP 0.014 0.014 11 0 "[ . 1 . 2]"
1 62 LEU 0.005 0.005 18 0 "[ . 1 . 2]"
1 65 ILE 0.014 0.014 11 0 "[ . 1 . 2]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.001 0.001 17 0 "[ . 1 . 2]"
1 90 ILE 0.040 0.020 5 0 "[ . 1 . 2]"
1 93 ILE 0.001 0.001 17 0 "[ . 1 . 2]"
1 94 LYS 0.040 0.020 5 0 "[ . 1 . 2]"
1 99 PHE 0.021 0.014 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 26 HIS N 1 46 THR O 2.700 2.700 3.300 2.756 2.691 2.885 0.009 15 0 "[ . 1 . 2]" 2
2 1 26 HIS H 1 46 THR O 1.700 . 2.300 1.820 1.707 2.069 . 0 0 "[ . 1 . 2]" 2
3 1 28 TYR N 1 44 VAL O 2.700 2.700 3.300 3.060 2.856 3.248 . 0 0 "[ . 1 . 2]" 2
4 1 28 TYR H 1 44 VAL O 1.700 . 2.300 2.101 1.900 2.318 0.018 5 0 "[ . 1 . 2]" 2
5 1 31 TYR N 1 76 GLU O 2.700 2.700 3.300 2.820 2.721 2.948 . 0 0 "[ . 1 . 2]" 2
6 1 31 TYR H 1 76 GLU O 1.700 . 2.300 1.863 1.739 2.091 . 0 0 "[ . 1 . 2]" 2
7 1 32 VAL N 1 40 MET O 2.700 2.700 3.300 2.927 2.703 3.225 . 0 0 "[ . 1 . 2]" 2
8 1 32 VAL H 1 40 MET O 1.700 . 2.300 1.997 1.731 2.335 0.035 17 0 "[ . 1 . 2]" 2
9 1 32 VAL O 1 40 MET N 2.700 2.700 3.300 2.723 2.655 2.995 0.045 1 0 "[ . 1 . 2]" 2
10 1 32 VAL O 1 40 MET H 1.700 . 2.300 1.829 1.722 2.173 . 0 0 "[ . 1 . 2]" 2
11 1 28 TYR O 1 44 VAL N 2.700 2.700 3.300 2.982 2.771 3.252 . 0 0 "[ . 1 . 2]" 2
12 1 28 TYR O 1 44 VAL H 1.700 . 2.300 2.019 1.803 2.309 0.009 8 0 "[ . 1 . 2]" 2
13 1 45 PHE N 1 99 PHE O 2.700 2.700 3.300 2.825 2.712 2.928 . 0 0 "[ . 1 . 2]" 2
14 1 45 PHE H 1 99 PHE O 1.700 . 2.300 1.875 1.786 1.999 . 0 0 "[ . 1 . 2]" 2
15 1 26 HIS O 1 46 THR N 2.700 2.700 3.300 3.248 2.840 3.319 0.019 13 0 "[ . 1 . 2]" 2
16 1 26 HIS O 1 46 THR H 1.700 . 2.300 2.291 1.896 2.367 0.067 13 0 "[ . 1 . 2]" 2
17 1 45 PHE O 1 99 PHE N 2.700 2.700 3.300 2.880 2.686 3.082 0.014 19 0 "[ . 1 . 2]" 2
18 1 45 PHE O 1 99 PHE H 1.700 . 2.300 1.993 1.711 2.240 . 0 0 "[ . 1 . 2]" 2
19 1 52 LYS O 1 56 GLU N 2.700 2.700 3.300 2.864 2.681 3.212 0.019 9 0 "[ . 1 . 2]" 2
20 1 52 LYS O 1 56 GLU H 1.700 . 2.300 1.943 1.737 2.325 0.025 4 0 "[ . 1 . 2]" 2
21 1 53 LYS O 1 57 PHE N 2.700 2.700 3.300 2.873 2.700 3.202 . 0 0 "[ . 1 . 2]" 2
22 1 53 LYS O 1 57 PHE H 1.700 . 2.300 1.940 1.731 2.301 0.001 5 0 "[ . 1 . 2]" 2
23 1 54 ALA O 1 58 ALA N 2.700 2.700 3.300 3.077 2.871 3.230 . 0 0 "[ . 1 . 2]" 2
24 1 54 ALA O 1 58 ALA H 1.700 . 2.300 2.149 1.915 2.320 0.020 2 0 "[ . 1 . 2]" 2
25 1 55 ILE O 1 59 LYS N 2.700 2.700 3.300 2.913 2.715 3.207 . 0 0 "[ . 1 . 2]" 2
26 1 55 ILE O 1 59 LYS H 1.700 . 2.300 1.979 1.770 2.306 0.006 18 0 "[ . 1 . 2]" 2
27 1 58 ALA O 1 62 LEU N 2.700 2.700 3.300 2.960 2.778 3.218 . 0 0 "[ . 1 . 2]" 2
28 1 58 ALA O 1 62 LEU H 1.700 . 2.300 2.021 1.847 2.305 0.005 18 0 "[ . 1 . 2]" 2
29 1 61 TRP O 1 65 ILE N 2.700 2.700 3.300 3.018 2.889 3.173 . 0 0 "[ . 1 . 2]" 2
30 1 61 TRP O 1 65 ILE H 1.700 . 2.300 2.120 1.933 2.314 0.014 11 0 "[ . 1 . 2]" 2
31 1 89 VAL O 1 93 ILE N 2.700 2.700 3.300 2.934 2.754 3.235 . 0 0 "[ . 1 . 2]" 2
32 1 89 VAL O 1 93 ILE H 1.700 . 2.300 1.977 1.780 2.301 0.001 17 0 "[ . 1 . 2]" 2
33 1 90 ILE O 1 94 LYS N 2.700 2.700 3.300 2.957 2.737 3.249 . 0 0 "[ . 1 . 2]" 2
34 1 90 ILE O 1 94 LYS H 1.700 . 2.300 2.075 1.783 2.320 0.020 5 0 "[ . 1 . 2]" 2
stop_
save_
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