NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
500062 |
2l7e   |
17352 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l7e
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 1291
_Distance_constraint_stats_list.Viol_count 1131
_Distance_constraint_stats_list.Viol_total 641.694
_Distance_constraint_stats_list.Viol_max 0.133
_Distance_constraint_stats_list.Viol_rms 0.0075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0284
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 THR 0.635 0.050 13 0 "[ . 1 . 2]"
1 5 VAL 0.037 0.014 12 0 "[ . 1 . 2]"
1 6 LYS 0.155 0.041 9 0 "[ . 1 . 2]"
1 7 ARG 0.032 0.024 1 0 "[ . 1 . 2]"
1 8 THR 0.112 0.026 15 0 "[ . 1 . 2]"
1 9 ILE 0.886 0.055 16 0 "[ . 1 . 2]"
1 10 ARG 0.575 0.045 10 0 "[ . 1 . 2]"
1 11 ILE 0.501 0.066 16 0 "[ . 1 . 2]"
1 12 LYS 0.530 0.063 16 0 "[ . 1 . 2]"
1 13 THR 0.662 0.063 16 0 "[ . 1 . 2]"
1 14 GLN 0.003 0.003 1 0 "[ . 1 . 2]"
1 15 GLN 0.948 0.080 20 0 "[ . 1 . 2]"
1 16 HIS 1.767 0.082 14 0 "[ . 1 . 2]"
1 17 ILE 1.275 0.074 14 0 "[ . 1 . 2]"
1 18 LEU 0.138 0.056 11 0 "[ . 1 . 2]"
1 19 PRO 0.071 0.027 17 0 "[ . 1 . 2]"
1 20 GLU 0.088 0.050 1 0 "[ . 1 . 2]"
1 21 VAL 0.217 0.073 17 0 "[ . 1 . 2]"
1 22 PRO 0.129 0.073 17 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.043 0.043 11 0 "[ . 1 . 2]"
1 25 GLU 0.155 0.042 19 0 "[ . 1 . 2]"
1 26 ASN 0.230 0.043 11 0 "[ . 1 . 2]"
1 27 PHE 0.032 0.018 5 0 "[ . 1 . 2]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 0.185 0.056 11 0 "[ . 1 . 2]"
1 30 ARG 0.588 0.045 15 0 "[ . 1 . 2]"
1 31 GLN 0.683 0.054 4 0 "[ . 1 . 2]"
1 32 TRP 1.442 0.082 14 0 "[ . 1 . 2]"
1 33 SER 0.001 0.001 16 0 "[ . 1 . 2]"
1 34 ILE 0.061 0.026 3 0 "[ . 1 . 2]"
1 35 GLU 0.719 0.107 8 0 "[ . 1 . 2]"
1 36 ILE 1.424 0.088 8 0 "[ . 1 . 2]"
1 37 VAL 0.737 0.065 8 0 "[ . 1 . 2]"
1 38 LEU 0.223 0.040 11 0 "[ . 1 . 2]"
1 39 LEU 0.118 0.055 17 0 "[ . 1 . 2]"
1 40 ASP 0.845 0.093 9 0 "[ . 1 . 2]"
1 41 ASP 0.118 0.063 5 0 "[ . 1 . 2]"
1 42 GLU 1.093 0.082 5 0 "[ . 1 . 2]"
1 43 GLY 0.843 0.082 5 0 "[ . 1 . 2]"
1 44 LYS 2.413 0.093 9 0 "[ . 1 . 2]"
1 45 GLU 0.552 0.058 17 0 "[ . 1 . 2]"
1 46 ILE 0.199 0.034 12 0 "[ . 1 . 2]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 THR 0.060 0.039 12 0 "[ . 1 . 2]"
1 50 ILE 0.304 0.046 14 0 "[ . 1 . 2]"
1 51 PHE 1.291 0.094 3 0 "[ . 1 . 2]"
1 52 ASP 1.093 0.062 7 0 "[ . 1 . 2]"
1 53 LYS 0.943 0.062 7 0 "[ . 1 . 2]"
1 54 VAL 0.568 0.044 17 0 "[ . 1 . 2]"
1 55 ILE 0.393 0.057 3 0 "[ . 1 . 2]"
1 56 TYR 0.810 0.088 8 0 "[ . 1 . 2]"
1 57 HIS 0.093 0.040 2 0 "[ . 1 . 2]"
1 58 LEU 0.782 0.075 20 0 "[ . 1 . 2]"
1 59 HIS 0.663 0.068 3 0 "[ . 1 . 2]"
1 60 PRO 2.308 0.133 13 0 "[ . 1 . 2]"
1 61 THR 0.322 0.076 14 0 "[ . 1 . 2]"
1 62 PHE 2.262 0.133 13 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASN 0.072 0.032 13 0 "[ . 1 . 2]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASN 0.193 0.045 17 0 "[ . 1 . 2]"
1 67 ARG 0.306 0.032 18 0 "[ . 1 . 2]"
1 68 THR 0.471 0.053 14 0 "[ . 1 . 2]"
1 69 PHE 0.092 0.034 20 0 "[ . 1 . 2]"
1 70 THR 0.214 0.053 14 0 "[ . 1 . 2]"
1 71 ASP 0.027 0.014 5 0 "[ . 1 . 2]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PRO 0.094 0.029 5 0 "[ . 1 . 2]"
1 74 PHE 0.823 0.103 11 0 "[ . 1 . 2]"
1 75 ARG 1.604 0.107 8 0 "[ . 1 . 2]"
1 76 ILE 0.224 0.034 5 0 "[ . 1 . 2]"
1 77 GLU 0.113 0.040 7 0 "[ . 1 . 2]"
1 78 GLU 0.229 0.038 20 0 "[ . 1 . 2]"
1 79 GLN 0.083 0.067 15 0 "[ . 1 . 2]"
1 80 GLY 0.776 0.060 7 0 "[ . 1 . 2]"
1 81 TRP 0.379 0.060 7 0 "[ . 1 . 2]"
1 82 GLY 0.402 0.051 20 0 "[ . 1 . 2]"
1 83 GLY 0.486 0.047 15 0 "[ . 1 . 2]"
1 84 PHE 0.292 0.069 5 0 "[ . 1 . 2]"
1 85 PRO 0.709 0.075 20 0 "[ . 1 . 2]"
1 86 LEU 0.585 0.076 9 0 "[ . 1 . 2]"
1 87 ASP 0.591 0.076 9 0 "[ . 1 . 2]"
1 88 ILE 0.062 0.015 11 0 "[ . 1 . 2]"
1 89 SER 1.015 0.061 7 0 "[ . 1 . 2]"
1 90 VAL 0.866 0.089 1 0 "[ . 1 . 2]"
1 91 PHE 0.212 0.039 13 0 "[ . 1 . 2]"
1 92 LEU 0.813 0.051 5 0 "[ . 1 . 2]"
1 93 LEU 0.872 0.094 3 0 "[ . 1 . 2]"
1 94 GLU 0.413 0.082 15 0 "[ . 1 . 2]"
1 95 LYS 0.221 0.060 10 0 "[ . 1 . 2]"
1 96 ALA 0.430 0.082 15 0 "[ . 1 . 2]"
1 97 GLY 0.669 0.073 19 0 "[ . 1 . 2]"
1 98 GLU 0.249 0.037 14 0 "[ . 1 . 2]"
1 99 ARG 0.744 0.089 1 0 "[ . 1 . 2]"
1 100 LYS 0.073 0.040 7 0 "[ . 1 . 2]"
1 101 ILE 0.086 0.025 3 0 "[ . 1 . 2]"
1 102 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 HIS 0.027 0.023 13 0 "[ . 1 . 2]"
1 104 ASP 0.081 0.029 16 0 "[ . 1 . 2]"
1 105 LEU 0.479 0.069 5 0 "[ . 1 . 2]"
1 106 ASN 0.469 0.052 16 0 "[ . 1 . 2]"
1 107 PHE 0.519 0.052 16 0 "[ . 1 . 2]"
1 108 LEU 0.962 0.074 14 0 "[ . 1 . 2]"
1 109 GLN 0.454 0.044 8 0 "[ . 1 . 2]"
1 110 GLU 2.878 0.116 1 0 "[ . 1 . 2]"
1 111 SER 1.396 0.072 5 0 "[ . 1 . 2]"
1 112 TYR 1.283 0.091 11 0 "[ . 1 . 2]"
1 113 GLU 2.723 0.116 1 0 "[ . 1 . 2]"
1 114 VAL 1.066 0.078 20 0 "[ . 1 . 2]"
1 115 GLU 0.010 0.007 3 0 "[ . 1 . 2]"
1 116 HIS 1.138 0.078 20 0 "[ . 1 . 2]"
1 117 VAL 0.308 0.053 11 0 "[ . 1 . 2]"
1 118 ILE 0.092 0.024 1 0 "[ . 1 . 2]"
1 119 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ILE 0.070 0.025 19 0 "[ . 1 . 2]"
1 121 PRO 0.088 0.028 19 0 "[ . 1 . 2]"
1 122 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ASN 0.000 0.000 . 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 3 ALA MB 1 4 THR H 1.800 . 5.000 3.177 2.030 3.724 . 0 0 "[ . 1 . 2]" 1
2 1 3 ALA HA 1 4 THR H 1.800 . 5.000 2.382 2.134 2.867 . 0 0 "[ . 1 . 2]" 1
3 1 4 THR H 1 5 VAL HA 1.800 . 5.000 4.743 4.643 4.829 . 0 0 "[ . 1 . 2]" 1
4 1 4 THR H 1 4 THR HB 1.800 . 4.000 3.601 3.356 3.773 . 0 0 "[ . 1 . 2]" 1
5 1 4 THR H 1 4 THR MG 1.800 . 5.000 3.060 2.081 3.699 . 0 0 "[ . 1 . 2]" 1
6 1 4 THR H 1 5 VAL QG 1.800 . 6.000 3.814 3.271 5.061 . 0 0 "[ . 1 . 2]" 1
7 1 4 THR H 1 5 VAL H 1.800 . 5.000 4.313 4.062 4.438 . 0 0 "[ . 1 . 2]" 1
8 1 4 THR H 1 121 PRO HB3 1.800 . 6.000 5.233 4.778 5.764 . 0 0 "[ . 1 . 2]" 1
9 1 4 THR H 1 121 PRO HB2 1.800 . 6.000 5.761 5.349 6.028 0.028 19 0 "[ . 1 . 2]" 1
10 1 4 THR H 1 44 LYS H 1.800 . 6.000 6.026 5.959 6.050 0.050 13 0 "[ . 1 . 2]" 1
11 1 4 THR H 1 121 PRO HA 1.800 . 5.000 4.636 4.204 4.954 . 0 0 "[ . 1 . 2]" 1
12 1 4 THR HA 1 5 VAL H 1.800 . 4.000 2.258 2.143 2.442 . 0 0 "[ . 1 . 2]" 1
13 1 4 THR HB 1 5 VAL H 1.800 . 4.000 3.395 2.438 4.014 0.014 12 0 "[ . 1 . 2]" 1
14 1 4 THR MG 1 5 VAL H 1.800 . 5.000 3.615 3.206 4.024 . 0 0 "[ . 1 . 2]" 1
15 1 5 VAL H 1 5 VAL HB 1.800 . 4.000 2.871 2.761 3.333 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL H 1 5 VAL QG 1.800 . 4.000 2.678 2.088 2.892 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL H 1 6 LYS H 1.800 . 5.000 4.188 4.090 4.251 . 0 0 "[ . 1 . 2]" 1
18 1 5 VAL H 1 6 LYS HA 1.800 . 5.000 4.897 4.730 5.005 0.005 16 0 "[ . 1 . 2]" 1
19 1 5 VAL H 1 120 ILE H 1.800 . 4.000 3.817 3.542 4.013 0.013 8 0 "[ . 1 . 2]" 1
20 1 5 VAL H 1 121 PRO HA 1.800 . 3.500 2.110 1.934 2.518 . 0 0 "[ . 1 . 2]" 1
21 1 5 VAL H 1 120 ILE HA 1.800 . 6.000 5.406 5.202 5.548 . 0 0 "[ . 1 . 2]" 1
22 1 5 VAL HA 1 6 LYS H 1.800 . 4.000 2.133 2.124 2.147 . 0 0 "[ . 1 . 2]" 1
23 1 5 VAL HB 1 6 LYS H 1.800 . 5.000 4.209 4.174 4.294 . 0 0 "[ . 1 . 2]" 1
24 1 5 VAL QG 1 6 LYS H 1.800 . 5.000 2.685 2.538 2.823 . 0 0 "[ . 1 . 2]" 1
25 1 6 LYS H 1 6 LYS HB3 1.800 . 4.000 3.640 3.163 3.894 . 0 0 "[ . 1 . 2]" 1
26 1 6 LYS H 1 6 LYS HB2 1.800 . 4.000 2.685 2.439 2.889 . 0 0 "[ . 1 . 2]" 1
27 1 6 LYS H 1 6 LYS QE 1.800 . 6.000 4.719 3.716 5.958 . 0 0 "[ . 1 . 2]" 1
28 1 6 LYS H 1 6 LYS QG 1.800 . 6.000 3.526 2.731 4.201 . 0 0 "[ . 1 . 2]" 1
29 1 6 LYS H 1 7 ARG HB2 1.800 . 6.000 5.366 4.545 5.990 . 0 0 "[ . 1 . 2]" 1
30 1 6 LYS H 1 7 ARG H 1.800 . 5.000 4.040 3.932 4.190 . 0 0 "[ . 1 . 2]" 1
31 1 4 THR MG 1 6 LYS H 1.800 . 6.000 5.481 4.558 6.006 0.006 8 0 "[ . 1 . 2]" 1
32 1 6 LYS H 1 39 LEU QD 1.800 . 6.000 4.740 3.857 6.006 0.006 16 0 "[ . 1 . 2]" 1
33 1 6 LYS H 1 42 GLU HB3 1.800 . 5.500 4.388 3.728 5.111 . 0 0 "[ . 1 . 2]" 1
34 1 6 LYS H 1 42 GLU HB2 1.800 . 5.500 5.148 4.555 5.525 0.025 14 0 "[ . 1 . 2]" 1
35 1 6 LYS HA 1 7 ARG H 1.800 . 3.000 2.159 2.144 2.181 . 0 0 "[ . 1 . 2]" 1
36 1 7 ARG H 1 7 ARG HB3 1.800 . 4.000 3.655 3.138 3.902 . 0 0 "[ . 1 . 2]" 1
37 1 7 ARG H 1 7 ARG HB2 1.800 . 4.000 2.702 2.321 3.855 . 0 0 "[ . 1 . 2]" 1
38 1 7 ARG H 1 7 ARG QD 1.800 . 6.000 4.138 2.939 4.746 . 0 0 "[ . 1 . 2]" 1
39 1 7 ARG H 1 118 ILE H 1.800 . 4.000 3.462 3.192 3.819 . 0 0 "[ . 1 . 2]" 1
40 1 7 ARG H 1 118 ILE HA 1.800 . 5.000 4.878 4.612 4.994 . 0 0 "[ . 1 . 2]" 1
41 1 7 ARG H 1 118 ILE HB 1.800 . 4.000 3.364 2.628 3.812 . 0 0 "[ . 1 . 2]" 1
42 1 7 ARG H 1 118 ILE MG 1.800 . 5.000 4.143 3.637 4.487 . 0 0 "[ . 1 . 2]" 1
43 1 7 ARG H 1 118 ILE MD 1.800 . 5.000 4.588 3.986 4.997 . 0 0 "[ . 1 . 2]" 1
44 1 6 LYS HB3 1 7 ARG H 1.800 . 5.000 3.776 3.541 4.084 . 0 0 "[ . 1 . 2]" 1
45 1 7 ARG H 1 119 GLN HA 1.800 . 4.000 3.288 2.928 3.651 . 0 0 "[ . 1 . 2]" 1
46 1 7 ARG H 1 119 GLN H 1.800 . 5.500 4.843 4.645 4.956 . 0 0 "[ . 1 . 2]" 1
47 1 7 ARG H 1 119 GLN HB3 1.800 . 6.000 5.276 3.658 5.947 . 0 0 "[ . 1 . 2]" 1
48 1 7 ARG H 1 119 GLN HB2 1.800 . 6.000 5.211 4.269 5.878 . 0 0 "[ . 1 . 2]" 1
49 1 7 ARG HA 1 8 THR H 1.800 . 4.000 2.392 2.166 2.532 . 0 0 "[ . 1 . 2]" 1
50 1 7 ARG HB3 1 8 THR H 1.800 . 5.000 2.606 2.221 4.201 . 0 0 "[ . 1 . 2]" 1
51 1 7 ARG HB2 1 8 THR H 1.800 . 5.000 3.674 3.141 4.028 . 0 0 "[ . 1 . 2]" 1
52 1 7 ARG QD 1 8 THR H 1.800 . 6.000 4.598 3.498 5.103 . 0 0 "[ . 1 . 2]" 1
53 1 7 ARG H 1 8 THR H 1.800 . 5.000 4.455 4.332 4.527 . 0 0 "[ . 1 . 2]" 1
54 1 8 THR H 1 8 THR HB 1.800 . 4.000 3.560 3.322 3.720 . 0 0 "[ . 1 . 2]" 1
55 1 8 THR H 1 8 THR MG 1.800 . 5.000 2.495 1.986 2.728 . 0 0 "[ . 1 . 2]" 1
56 1 8 THR H 1 9 ILE HA 1.800 . 5.500 4.534 4.417 4.873 . 0 0 "[ . 1 . 2]" 1
57 1 8 THR H 1 117 VAL HA 1.800 . 5.000 4.810 4.571 5.026 0.026 15 0 "[ . 1 . 2]" 1
58 1 8 THR H 1 118 ILE H 1.800 . 5.000 4.462 4.082 4.846 . 0 0 "[ . 1 . 2]" 1
59 1 8 THR H 1 39 LEU H 1.800 . 3.000 2.495 2.140 2.771 . 0 0 "[ . 1 . 2]" 1
60 1 8 THR H 1 38 LEU HA 1.800 . 4.500 3.738 3.408 4.004 . 0 0 "[ . 1 . 2]" 1
61 1 8 THR H 1 39 LEU MD1 1.800 . 5.000 4.232 2.602 5.015 0.015 15 0 "[ . 1 . 2]" 1
62 1 8 THR H 1 39 LEU QB 1.800 . 3.000 2.627 2.140 2.979 . 0 0 "[ . 1 . 2]" 1
63 1 8 THR MG 1 9 ILE H 1.800 . 5.000 4.068 3.865 4.274 . 0 0 "[ . 1 . 2]" 1
64 1 8 THR H 1 9 ILE H 1.800 . 5.000 4.107 3.863 4.413 . 0 0 "[ . 1 . 2]" 1
65 1 9 ILE H 1 9 ILE HG13 1.800 . 5.000 4.528 4.430 4.897 . 0 0 "[ . 1 . 2]" 1
66 1 9 ILE H 1 9 ILE HG12 1.800 . 5.000 4.621 4.427 4.860 . 0 0 "[ . 1 . 2]" 1
67 1 9 ILE H 1 116 HIS H 1.800 . 4.000 3.178 2.903 3.394 . 0 0 "[ . 1 . 2]" 1
68 1 9 ILE H 1 116 HIS HB3 1.800 . 4.000 3.663 3.228 4.002 0.002 8 0 "[ . 1 . 2]" 1
69 1 9 ILE H 1 116 HIS HB2 1.800 . 4.000 3.774 3.484 4.032 0.032 16 0 "[ . 1 . 2]" 1
70 1 8 THR HA 1 9 ILE H 1.800 . 4.000 2.192 2.148 2.294 . 0 0 "[ . 1 . 2]" 1
71 1 9 ILE H 1 10 ARG HA 1.800 . 5.000 5.022 4.956 5.045 0.045 10 0 "[ . 1 . 2]" 1
72 1 9 ILE H 1 115 GLU HA 1.800 . 5.500 4.846 4.558 5.045 . 0 0 "[ . 1 . 2]" 1
73 1 8 THR HB 1 9 ILE H 1.800 . 5.000 4.107 3.919 4.311 . 0 0 "[ . 1 . 2]" 1
74 1 9 ILE H 1 117 VAL HA 1.800 . 4.500 3.540 3.189 3.837 . 0 0 "[ . 1 . 2]" 1
75 1 9 ILE H 1 118 ILE H 1.800 . 5.000 4.795 4.401 5.008 0.008 17 0 "[ . 1 . 2]" 1
76 1 9 ILE H 1 118 ILE HG12 1.800 . 6.000 5.729 5.430 6.002 0.002 20 0 "[ . 1 . 2]" 1
77 1 9 ILE H 1 116 HIS HA 1.800 . 5.000 4.723 4.606 4.815 . 0 0 "[ . 1 . 2]" 1
78 1 10 ARG H 1 11 ILE HA 1.800 . 5.500 4.836 4.710 4.928 . 0 0 "[ . 1 . 2]" 1
79 1 10 ARG H 1 11 ILE H 1.800 . 5.000 4.178 4.009 4.353 . 0 0 "[ . 1 . 2]" 1
80 1 9 ILE MD 1 10 ARG H 1.800 . 6.000 4.014 2.498 4.545 . 0 0 "[ . 1 . 2]" 1
81 1 9 ILE HA 1 10 ARG H 1.800 . 4.000 2.133 2.121 2.157 . 0 0 "[ . 1 . 2]" 1
82 1 9 ILE HB 1 10 ARG H 1.800 . 5.000 4.302 4.127 4.344 . 0 0 "[ . 1 . 2]" 1
83 1 10 ARG H 1 10 ARG QG 1.800 . 6.000 3.212 1.998 4.200 . 0 0 "[ . 1 . 2]" 1
84 1 10 ARG H 1 37 VAL HA 1.800 . 5.000 4.856 4.668 4.999 . 0 0 "[ . 1 . 2]" 1
85 1 10 ARG H 1 37 VAL H 1.800 . 4.000 3.152 2.707 3.614 . 0 0 "[ . 1 . 2]" 1
86 1 10 ARG H 1 37 VAL MG1 1.800 . 5.000 4.480 3.750 5.017 0.017 15 0 "[ . 1 . 2]" 1
87 1 10 ARG H 1 37 VAL MG2 1.800 . 5.000 3.428 2.058 4.954 . 0 0 "[ . 1 . 2]" 1
88 1 10 ARG H 1 38 LEU H 1.800 . 5.500 4.994 4.706 5.186 . 0 0 "[ . 1 . 2]" 1
89 1 10 ARG H 1 38 LEU HA 1.800 . 4.000 3.804 3.265 4.016 0.016 10 0 "[ . 1 . 2]" 1
90 1 11 ILE H 1 11 ILE HB 1.800 . 4.000 3.746 3.597 3.807 . 0 0 "[ . 1 . 2]" 1
91 1 11 ILE H 1 11 ILE MG 1.800 . 6.000 3.010 2.696 3.465 . 0 0 "[ . 1 . 2]" 1
92 1 11 ILE H 1 11 ILE MD 1.800 . 6.000 3.799 3.649 3.867 . 0 0 "[ . 1 . 2]" 1
93 1 11 ILE H 1 11 ILE HG13 1.800 . 6.000 2.339 1.992 2.939 . 0 0 "[ . 1 . 2]" 1
94 1 11 ILE H 1 11 ILE HG12 1.800 . 6.000 2.615 2.139 3.257 . 0 0 "[ . 1 . 2]" 1
95 1 10 ARG HA 1 11 ILE H 1.800 . 3.000 2.155 2.141 2.179 . 0 0 "[ . 1 . 2]" 1
96 1 10 ARG QB 1 11 ILE H 1.800 . 4.000 3.528 3.121 3.941 . 0 0 "[ . 1 . 2]" 1
97 1 11 ILE H 1 12 LYS HA 1.800 . 6.000 4.945 4.818 5.073 . 0 0 "[ . 1 . 2]" 1
98 1 10 ARG QG 1 11 ILE H 1.800 . 6.000 3.979 2.966 4.529 . 0 0 "[ . 1 . 2]" 1
99 1 11 ILE H 1 115 GLU HA 1.800 . 4.000 3.670 3.170 4.002 0.002 19 0 "[ . 1 . 2]" 1
100 1 11 ILE H 1 115 GLU QG 1.800 . 4.000 3.710 3.205 3.966 . 0 0 "[ . 1 . 2]" 1
101 1 11 ILE H 1 114 VAL H 1.800 . 3.500 3.212 2.751 3.471 . 0 0 "[ . 1 . 2]" 1
102 1 11 ILE H 1 114 VAL MG1 1.800 . 5.000 4.488 3.088 5.015 0.015 19 0 "[ . 1 . 2]" 1
103 1 11 ILE H 1 12 LYS QE 1.800 . 6.000 4.728 3.202 5.678 . 0 0 "[ . 1 . 2]" 1
104 1 11 ILE H 1 37 VAL MG2 1.800 . 6.000 5.333 4.454 6.019 0.019 6 0 "[ . 1 . 2]" 1
105 1 11 ILE HA 1 12 LYS H 1.800 . 3.000 2.172 2.140 2.216 . 0 0 "[ . 1 . 2]" 1
106 1 11 ILE HB 1 12 LYS H 1.800 . 3.500 3.171 3.010 3.353 . 0 0 "[ . 1 . 2]" 1
107 1 12 LYS H 1 12 LYS HB3 1.800 . 4.000 3.542 3.213 3.725 . 0 0 "[ . 1 . 2]" 1
108 1 12 LYS H 1 12 LYS HB2 1.800 . 4.000 2.433 2.294 2.578 . 0 0 "[ . 1 . 2]" 1
109 1 12 LYS H 1 13 THR HA 1.800 . 5.000 5.008 4.904 5.061 0.061 14 0 "[ . 1 . 2]" 1
110 1 12 LYS H 1 13 THR H 1.800 . 5.000 4.403 4.265 4.471 . 0 0 "[ . 1 . 2]" 1
111 1 12 LYS H 1 12 LYS QE 1.800 . 6.000 4.052 3.067 4.880 . 0 0 "[ . 1 . 2]" 1
112 1 12 LYS H 1 35 GLU H 1.800 . 4.000 2.810 2.593 3.139 . 0 0 "[ . 1 . 2]" 1
113 1 12 LYS H 1 34 ILE MD 1.800 . 6.000 4.235 3.227 6.026 0.026 3 0 "[ . 1 . 2]" 1
114 1 12 LYS H 1 37 VAL H 1.800 . 6.000 5.227 4.782 5.794 . 0 0 "[ . 1 . 2]" 1
115 1 12 LYS H 1 36 ILE HA 1.800 . 5.000 4.124 3.658 4.404 . 0 0 "[ . 1 . 2]" 1
116 1 12 LYS H 1 35 GLU HB3 1.800 . 5.000 4.652 2.475 5.012 0.012 10 0 "[ . 1 . 2]" 1
117 1 12 LYS H 1 35 GLU HB2 1.800 . 5.000 4.550 4.095 4.780 . 0 0 "[ . 1 . 2]" 1
118 1 12 LYS HA 1 13 THR H 1.800 . 4.000 2.180 2.143 2.238 . 0 0 "[ . 1 . 2]" 1
119 1 12 LYS HB3 1 13 THR H 1.800 . 5.000 3.305 2.926 3.893 . 0 0 "[ . 1 . 2]" 1
120 1 12 LYS HB2 1 13 THR H 1.800 . 5.000 4.333 4.140 4.583 . 0 0 "[ . 1 . 2]" 1
121 1 12 LYS QD 1 13 THR H 1.800 . 5.000 4.804 4.337 5.063 0.063 16 0 "[ . 1 . 2]" 1
122 1 12 LYS QG 1 13 THR H 1.800 . 4.000 3.600 2.969 3.992 . 0 0 "[ . 1 . 2]" 1
123 1 13 THR H 1 13 THR HB 1.800 . 4.000 2.875 2.606 3.151 . 0 0 "[ . 1 . 2]" 1
124 1 13 THR H 1 112 TYR HA 1.800 . 6.000 5.068 4.929 5.259 . 0 0 "[ . 1 . 2]" 1
125 1 13 THR H 1 111 SER HA 1.800 . 5.500 4.949 4.620 5.502 0.002 9 0 "[ . 1 . 2]" 1
126 1 13 THR H 1 113 GLU QG 1.800 . 5.500 4.534 3.281 4.992 . 0 0 "[ . 1 . 2]" 1
127 1 13 THR H 1 113 GLU HA 1.800 . 4.000 3.200 2.897 3.437 . 0 0 "[ . 1 . 2]" 1
128 1 13 THR H 1 113 GLU HB3 1.800 . 5.000 3.074 2.406 5.045 0.045 12 0 "[ . 1 . 2]" 1
129 1 13 THR H 1 113 GLU HB2 1.800 . 4.000 3.505 3.354 3.603 . 0 0 "[ . 1 . 2]" 1
130 1 13 THR HA 1 14 GLN H 1.800 . 3.000 2.165 2.144 2.213 . 0 0 "[ . 1 . 2]" 1
131 1 13 THR MG 1 14 GLN H 1.800 . 5.000 3.005 2.493 3.373 . 0 0 "[ . 1 . 2]" 1
132 1 13 THR H 1 14 GLN H 1.800 . 5.000 4.101 3.913 4.324 . 0 0 "[ . 1 . 2]" 1
133 1 14 GLN H 1 14 GLN QG 1.800 . 6.000 3.528 2.148 4.198 . 0 0 "[ . 1 . 2]" 1
134 1 14 GLN H 1 33 SER HA 1.800 . 5.000 4.715 4.477 4.954 . 0 0 "[ . 1 . 2]" 1
135 1 14 GLN H 1 34 ILE MD 1.800 . 4.500 4.063 2.752 4.503 0.003 1 0 "[ . 1 . 2]" 1
136 1 14 GLN H 1 33 SER H 1.800 . 4.000 2.846 2.616 3.384 . 0 0 "[ . 1 . 2]" 1
137 1 14 GLN H 1 34 ILE HA 1.800 . 5.000 4.021 3.656 4.321 . 0 0 "[ . 1 . 2]" 1
138 1 14 GLN H 1 32 TRP HA 1.800 . 5.500 4.584 4.322 5.259 . 0 0 "[ . 1 . 2]" 1
139 1 14 GLN H 1 35 GLU H 1.800 . 6.000 5.694 5.375 5.950 . 0 0 "[ . 1 . 2]" 1
140 1 15 GLN H 1 15 GLN HB3 1.800 . 4.000 2.791 2.608 2.970 . 0 0 "[ . 1 . 2]" 1
141 1 14 GLN HA 1 15 GLN H 1.800 . 4.000 2.257 2.131 2.389 . 0 0 "[ . 1 . 2]" 1
142 1 14 GLN QG 1 15 GLN H 1.800 . 5.000 3.358 2.056 4.221 . 0 0 "[ . 1 . 2]" 1
143 1 14 GLN QB 1 15 GLN H 1.800 . 5.000 3.114 2.499 3.713 . 0 0 "[ . 1 . 2]" 1
144 1 14 GLN H 1 15 GLN H 1.800 . 5.000 4.420 4.199 4.500 . 0 0 "[ . 1 . 2]" 1
145 1 15 GLN H 1 15 GLN QE 1.800 . 6.000 5.484 4.606 6.080 0.080 20 0 "[ . 1 . 2]" 1
146 1 15 GLN H 1 15 GLN HG3 1.800 . 6.000 4.606 4.423 5.008 . 0 0 "[ . 1 . 2]" 1
147 1 15 GLN H 1 15 GLN HG2 1.800 . 6.000 4.602 4.461 4.740 . 0 0 "[ . 1 . 2]" 1
148 1 15 GLN H 1 16 HIS HB3 1.800 . 6.000 5.949 5.504 6.072 0.072 4 0 "[ . 1 . 2]" 1
149 1 15 GLN H 1 16 HIS H 1.800 . 5.000 4.389 4.300 4.522 . 0 0 "[ . 1 . 2]" 1
150 1 15 GLN H 1 32 TRP HA 1.800 . 5.500 4.659 4.457 4.844 . 0 0 "[ . 1 . 2]" 1
151 1 15 GLN H 1 33 SER H 1.800 . 5.500 5.002 4.796 5.141 . 0 0 "[ . 1 . 2]" 1
152 1 15 GLN H 1 110 GLU H 1.800 . 3.500 2.409 2.183 2.772 . 0 0 "[ . 1 . 2]" 1
153 1 15 GLN H 1 110 GLU HA 1.800 . 5.000 4.175 4.037 4.275 . 0 0 "[ . 1 . 2]" 1
154 1 15 GLN H 1 110 GLU HB3 1.800 . 3.500 1.997 1.879 2.072 . 0 0 "[ . 1 . 2]" 1
155 1 15 GLN H 1 110 GLU HB2 1.800 . 3.500 3.512 3.475 3.536 0.036 13 0 "[ . 1 . 2]" 1
156 1 15 GLN HA 1 16 HIS H 1.800 . 4.000 2.267 2.205 2.432 . 0 0 "[ . 1 . 2]" 1
157 1 15 GLN HB3 1 16 HIS H 1.800 . 5.000 3.959 3.413 4.136 . 0 0 "[ . 1 . 2]" 1
158 1 15 GLN HB2 1 16 HIS H 1.800 . 5.000 4.010 3.906 4.118 . 0 0 "[ . 1 . 2]" 1
159 1 15 GLN QG 1 16 HIS H 1.800 . 5.000 2.061 1.938 2.210 . 0 0 "[ . 1 . 2]" 1
160 1 16 HIS H 1 16 HIS HB3 1.800 . 4.000 3.157 2.747 3.954 . 0 0 "[ . 1 . 2]" 1
161 1 16 HIS H 1 16 HIS HB2 1.800 . 4.000 3.225 2.971 3.726 . 0 0 "[ . 1 . 2]" 1
162 1 16 HIS H 1 17 ILE HA 1.800 . 5.000 4.633 4.379 4.786 . 0 0 "[ . 1 . 2]" 1
163 1 16 HIS H 1 17 ILE MG 1.800 . 6.000 5.798 5.498 6.053 0.053 10 0 "[ . 1 . 2]" 1
164 1 16 HIS H 1 17 ILE HG12 1.800 . 6.000 4.855 4.318 6.016 0.016 9 0 "[ . 1 . 2]" 1
165 1 16 HIS H 1 31 GLN QE 1.800 . 6.000 5.261 3.740 5.990 . 0 0 "[ . 1 . 2]" 1
166 1 16 HIS H 1 31 GLN H 1.800 . 4.000 2.571 2.297 2.809 . 0 0 "[ . 1 . 2]" 1
167 1 16 HIS H 1 31 GLN HA 1.800 . 5.000 4.287 3.971 4.508 . 0 0 "[ . 1 . 2]" 1
168 1 16 HIS H 1 32 TRP H 1.800 . 4.500 4.561 4.535 4.582 0.082 14 0 "[ . 1 . 2]" 1
169 1 16 HIS H 1 31 GLN HB3 1.800 . 4.000 3.005 2.317 3.951 . 0 0 "[ . 1 . 2]" 1
170 1 16 HIS H 1 31 GLN HB2 1.800 . 4.000 3.278 2.556 3.994 . 0 0 "[ . 1 . 2]" 1
171 1 15 GLN QE 1 16 HIS H 1.800 . 6.000 4.071 3.132 5.113 . 0 0 "[ . 1 . 2]" 1
172 1 16 HIS H 1 30 ARG HA 1.800 . 5.000 4.727 4.397 4.961 . 0 0 "[ . 1 . 2]" 1
173 1 16 HIS H 1 30 ARG HB3 1.800 . 5.500 5.044 3.909 5.525 0.025 17 0 "[ . 1 . 2]" 1
174 1 16 HIS H 1 30 ARG HB2 1.800 . 5.000 4.299 3.521 5.037 0.037 1 0 "[ . 1 . 2]" 1
175 1 16 HIS HA 1 17 ILE H 1.800 . 4.000 2.159 2.145 2.170 . 0 0 "[ . 1 . 2]" 1
176 1 16 HIS HB3 1 17 ILE H 1.800 . 5.500 4.095 3.476 4.311 . 0 0 "[ . 1 . 2]" 1
177 1 16 HIS HB2 1 17 ILE H 1.800 . 5.500 4.287 3.569 4.495 . 0 0 "[ . 1 . 2]" 1
178 1 17 ILE H 1 17 ILE HB 1.800 . 4.000 2.734 2.563 2.849 . 0 0 "[ . 1 . 2]" 1
179 1 17 ILE H 1 17 ILE MG 1.800 . 6.000 3.721 2.320 3.919 . 0 0 "[ . 1 . 2]" 1
180 1 17 ILE H 1 17 ILE MD 1.800 . 6.000 3.825 3.273 4.426 . 0 0 "[ . 1 . 2]" 1
181 1 17 ILE H 1 18 LEU QD 1.800 . 6.000 4.478 3.509 5.524 . 0 0 "[ . 1 . 2]" 1
182 1 17 ILE H 1 18 LEU QB 1.800 . 6.000 4.712 3.901 5.818 . 0 0 "[ . 1 . 2]" 1
183 1 17 ILE H 1 108 LEU H 1.800 . 4.500 4.231 2.637 4.574 0.074 14 0 "[ . 1 . 2]" 1
184 1 17 ILE H 1 108 LEU HA 1.800 . 4.000 2.191 1.948 2.724 . 0 0 "[ . 1 . 2]" 1
185 1 17 ILE H 1 108 LEU HB3 1.800 . 5.500 3.520 2.539 5.569 0.069 2 0 "[ . 1 . 2]" 1
186 1 17 ILE H 1 108 LEU HB2 1.800 . 5.500 3.292 2.283 5.251 . 0 0 "[ . 1 . 2]" 1
187 1 17 ILE H 1 108 LEU QD 1.800 . 5.500 3.889 3.231 4.575 . 0 0 "[ . 1 . 2]" 1
188 1 17 ILE HA 1 18 LEU H 1.800 . 5.000 2.179 2.123 2.268 . 0 0 "[ . 1 . 2]" 1
189 1 18 LEU H 1 18 LEU QB 1.800 . 4.000 2.780 2.409 3.410 . 0 0 "[ . 1 . 2]" 1
190 1 18 LEU H 1 18 LEU QD 1.800 . 6.000 3.759 2.232 4.166 . 0 0 "[ . 1 . 2]" 1
191 1 18 LEU H 1 19 PRO HA 1.800 . 5.000 4.494 4.192 4.741 . 0 0 "[ . 1 . 2]" 1
192 1 18 LEU H 1 19 PRO HB3 1.800 . 6.000 5.527 5.011 6.016 0.016 15 0 "[ . 1 . 2]" 1
193 1 17 ILE MG 1 18 LEU H 1.800 . 6.000 2.836 2.103 3.740 . 0 0 "[ . 1 . 2]" 1
194 1 17 ILE HB 1 18 LEU H 1.800 . 6.000 4.154 3.791 4.380 . 0 0 "[ . 1 . 2]" 1
195 1 17 ILE H 1 18 LEU H 1.800 . 6.000 4.328 4.057 4.638 . 0 0 "[ . 1 . 2]" 1
196 1 18 LEU H 1 30 ARG H 1.800 . 6.000 5.372 4.647 5.765 . 0 0 "[ . 1 . 2]" 1
197 1 18 LEU H 1 30 ARG HA 1.800 . 4.500 3.130 2.472 3.576 . 0 0 "[ . 1 . 2]" 1
198 1 18 LEU H 1 30 ARG HB3 1.800 . 6.000 4.635 3.996 5.339 . 0 0 "[ . 1 . 2]" 1
199 1 18 LEU H 1 30 ARG HB2 1.800 . 6.000 5.496 4.748 6.010 0.010 9 0 "[ . 1 . 2]" 1
200 1 18 LEU H 1 29 VAL HB 1.800 . 6.000 5.030 4.356 6.056 0.056 11 0 "[ . 1 . 2]" 1
201 1 19 PRO HA 1 20 GLU H 1.800 . 4.000 3.549 3.361 3.587 . 0 0 "[ . 1 . 2]" 1
202 1 19 PRO HB3 1 20 GLU H 1.800 . 5.000 4.004 3.704 4.490 . 0 0 "[ . 1 . 2]" 1
203 1 19 PRO HB2 1 20 GLU H 1.800 . 5.000 3.011 2.211 3.957 . 0 0 "[ . 1 . 2]" 1
204 1 20 GLU H 1 20 GLU HB3 1.800 . 4.000 3.545 2.714 3.987 . 0 0 "[ . 1 . 2]" 1
205 1 20 GLU H 1 20 GLU HB2 1.800 . 4.000 2.868 2.082 3.659 . 0 0 "[ . 1 . 2]" 1
206 1 20 GLU H 1 21 VAL HA 1.800 . 6.000 5.213 4.278 5.484 . 0 0 "[ . 1 . 2]" 1
207 1 20 GLU H 1 21 VAL HB 1.800 . 6.000 5.343 4.875 6.024 0.024 1 0 "[ . 1 . 2]" 1
208 1 20 GLU H 1 21 VAL H 1.800 . 3.500 2.783 2.226 3.550 0.050 1 0 "[ . 1 . 2]" 1
209 1 20 GLU H 1 21 VAL QG 1.800 . 6.000 4.103 3.589 5.045 . 0 0 "[ . 1 . 2]" 1
210 1 20 GLU HA 1 21 VAL H 1.800 . 5.000 3.198 2.332 3.581 . 0 0 "[ . 1 . 2]" 1
211 1 20 GLU HB3 1 21 VAL H 1.800 . 6.000 3.455 2.015 4.534 . 0 0 "[ . 1 . 2]" 1
212 1 20 GLU HB2 1 21 VAL H 1.800 . 5.000 3.980 3.047 4.651 . 0 0 "[ . 1 . 2]" 1
213 1 21 VAL H 1 21 VAL HB 1.800 . 4.000 2.818 2.581 3.141 . 0 0 "[ . 1 . 2]" 1
214 1 21 VAL H 1 21 VAL MG1 1.800 . 6.000 3.320 2.019 3.930 . 0 0 "[ . 1 . 2]" 1
215 1 21 VAL H 1 21 VAL MG2 1.800 . 6.000 2.875 2.003 3.902 . 0 0 "[ . 1 . 2]" 1
216 1 21 VAL H 1 21 VAL QG 1.800 . 6.000 2.314 1.996 2.737 . 0 0 "[ . 1 . 2]" 1
217 1 21 VAL H 1 22 PRO HA 1.800 . 5.500 5.252 4.880 5.573 0.073 17 0 "[ . 1 . 2]" 1
218 1 23 PRO HA 1 24 VAL H 1.800 . 4.000 2.624 2.159 3.565 . 0 0 "[ . 1 . 2]" 1
219 1 23 PRO HB3 1 24 VAL H 1.800 . 5.000 3.985 2.691 4.694 . 0 0 "[ . 1 . 2]" 1
220 1 23 PRO HB2 1 24 VAL H 1.800 . 5.000 3.622 2.171 4.381 . 0 0 "[ . 1 . 2]" 1
221 1 24 VAL H 1 24 VAL HB 1.800 . 4.000 3.240 2.606 3.892 . 0 0 "[ . 1 . 2]" 1
222 1 24 VAL H 1 24 VAL MG1 1.800 . 6.000 3.298 1.969 3.999 . 0 0 "[ . 1 . 2]" 1
223 1 24 VAL H 1 24 VAL MG2 1.800 . 6.000 2.801 1.987 4.056 . 0 0 "[ . 1 . 2]" 1
224 1 24 VAL H 1 25 GLU HA 1.800 . 6.000 4.899 4.375 5.624 . 0 0 "[ . 1 . 2]" 1
225 1 24 VAL H 1 25 GLU H 1.800 . 4.000 2.585 1.895 3.998 . 0 0 "[ . 1 . 2]" 1
226 1 24 VAL HA 1 25 GLU H 1.800 . 4.000 3.261 2.223 3.588 . 0 0 "[ . 1 . 2]" 1
227 1 24 VAL HB 1 25 GLU H 1.800 . 6.000 3.450 2.026 4.655 . 0 0 "[ . 1 . 2]" 1
228 1 25 GLU H 1 25 GLU HB3 1.800 . 4.000 3.124 2.644 3.734 . 0 0 "[ . 1 . 2]" 1
229 1 25 GLU H 1 25 GLU HB2 1.800 . 4.000 3.253 2.577 3.981 . 0 0 "[ . 1 . 2]" 1
230 1 25 GLU H 1 26 ASN HA 1.800 . 5.000 4.663 4.111 5.039 0.039 19 0 "[ . 1 . 2]" 1
231 1 25 GLU H 1 26 ASN QB 1.800 . 6.000 5.189 3.378 5.977 . 0 0 "[ . 1 . 2]" 1
232 1 25 GLU H 1 26 ASN H 1.800 . 5.000 3.334 2.034 4.517 . 0 0 "[ . 1 . 2]" 1
233 1 24 VAL MG1 1 25 GLU H 1.800 . 5.000 3.453 1.932 4.156 . 0 0 "[ . 1 . 2]" 1
234 1 24 VAL MG2 1 25 GLU H 1.800 . 5.000 3.485 1.967 4.356 . 0 0 "[ . 1 . 2]" 1
235 1 25 GLU HA 1 26 ASN H 1.800 . 5.000 2.937 2.153 3.588 . 0 0 "[ . 1 . 2]" 1
236 1 25 GLU HB3 1 26 ASN H 1.800 . 5.000 3.346 2.003 4.663 . 0 0 "[ . 1 . 2]" 1
237 1 25 GLU HB2 1 26 ASN H 1.800 . 5.000 3.829 3.333 4.537 . 0 0 "[ . 1 . 2]" 1
238 1 26 ASN H 1 26 ASN QD 1.800 . 6.000 3.701 2.245 5.105 . 0 0 "[ . 1 . 2]" 1
239 1 26 ASN H 1 27 PHE QB 1.800 . 6.000 4.688 3.363 6.018 0.018 5 0 "[ . 1 . 2]" 1
240 1 26 ASN H 1 27 PHE H 1.800 . 5.000 3.748 2.106 4.676 . 0 0 "[ . 1 . 2]" 1
241 1 24 VAL QG 1 26 ASN H 1.800 . 6.000 4.690 2.531 6.043 0.043 11 0 "[ . 1 . 2]" 1
242 1 26 ASN HA 1 27 PHE H 1.800 . 5.000 2.668 2.145 3.561 . 0 0 "[ . 1 . 2]" 1
243 1 26 ASN QB 1 27 PHE H 1.800 . 6.000 3.074 1.957 4.058 . 0 0 "[ . 1 . 2]" 1
244 1 26 ASN QD 1 27 PHE H 1.800 . 5.000 4.312 2.770 5.014 0.014 6 0 "[ . 1 . 2]" 1
245 1 29 VAL H 1 29 VAL HB 1.800 . 4.000 3.017 2.592 3.791 . 0 0 "[ . 1 . 2]" 1
246 1 29 VAL H 1 29 VAL MG1 1.800 . 6.000 3.688 2.849 3.999 . 0 0 "[ . 1 . 2]" 1
247 1 29 VAL H 1 29 VAL MG2 1.800 . 6.000 2.450 1.965 2.872 . 0 0 "[ . 1 . 2]" 1
248 1 28 PRO HA 1 29 VAL H 1.800 . 6.000 2.317 2.153 3.564 . 0 0 "[ . 1 . 2]" 1
249 1 19 PRO HA 1 29 VAL H 1.800 . 5.000 3.881 2.181 5.027 0.027 17 0 "[ . 1 . 2]" 1
250 1 29 VAL HA 1 30 ARG H 1.800 . 5.000 2.267 2.145 2.559 . 0 0 "[ . 1 . 2]" 1
251 1 29 VAL MG1 1 30 ARG H 1.800 . 6.000 2.669 2.040 3.702 . 0 0 "[ . 1 . 2]" 1
252 1 29 VAL HB 1 30 ARG H 1.800 . 6.000 3.590 2.063 4.406 . 0 0 "[ . 1 . 2]" 1
253 1 30 ARG H 1 30 ARG HB3 1.800 . 4.000 3.452 3.028 3.914 . 0 0 "[ . 1 . 2]" 1
254 1 30 ARG H 1 30 ARG HB2 1.800 . 4.000 3.518 2.788 3.787 . 0 0 "[ . 1 . 2]" 1
255 1 30 ARG H 1 31 GLN H 1.800 . 5.000 4.488 4.433 4.586 . 0 0 "[ . 1 . 2]" 1
256 1 30 ARG H 1 31 GLN HA 1.800 . 6.000 4.936 4.774 5.198 . 0 0 "[ . 1 . 2]" 1
257 1 30 ARG H 1 80 GLY H 1.800 . 5.000 3.352 2.951 3.594 . 0 0 "[ . 1 . 2]" 1
258 1 30 ARG H 1 79 GLN HA 1.800 . 5.500 5.150 4.829 5.422 . 0 0 "[ . 1 . 2]" 1
259 1 30 ARG H 1 81 TRP HB3 1.800 . 6.000 5.303 3.716 6.045 0.045 15 0 "[ . 1 . 2]" 1
260 1 30 ARG H 1 31 GLN QG 1.800 . 6.000 5.680 5.191 6.042 0.042 5 0 "[ . 1 . 2]" 1
261 1 30 ARG H 1 81 TRP HA 1.800 . 4.500 3.485 3.068 3.744 . 0 0 "[ . 1 . 2]" 1
262 1 30 ARG H 1 80 GLY HA3 1.800 . 5.000 4.764 4.310 5.024 0.024 9 0 "[ . 1 . 2]" 1
263 1 30 ARG H 1 80 GLY HA2 1.800 . 6.000 3.791 2.992 4.377 . 0 0 "[ . 1 . 2]" 1
264 1 30 ARG H 1 81 TRP HB2 1.800 . 6.000 5.729 5.111 6.031 0.031 5 0 "[ . 1 . 2]" 1
265 1 31 GLN H 1 31 GLN HB3 1.800 . 4.000 3.275 2.960 3.612 . 0 0 "[ . 1 . 2]" 1
266 1 31 GLN H 1 31 GLN HB2 1.800 . 4.000 2.479 2.319 2.729 . 0 0 "[ . 1 . 2]" 1
267 1 31 GLN H 1 31 GLN QG 1.800 . 6.000 3.847 3.346 4.106 . 0 0 "[ . 1 . 2]" 1
268 1 31 GLN H 1 32 TRP HA 1.800 . 6.000 5.048 4.717 5.273 . 0 0 "[ . 1 . 2]" 1
269 1 31 GLN H 1 32 TRP H 1.800 . 5.000 4.440 4.050 4.574 . 0 0 "[ . 1 . 2]" 1
270 1 17 ILE H 1 31 GLN H 1.800 . 5.000 4.453 4.157 4.665 . 0 0 "[ . 1 . 2]" 1
271 1 15 GLN QE 1 31 GLN H 1.800 . 6.000 4.399 2.822 6.020 0.020 14 0 "[ . 1 . 2]" 1
272 1 30 ARG HA 1 31 GLN H 1.800 . 4.000 2.384 2.280 2.427 . 0 0 "[ . 1 . 2]" 1
273 1 30 ARG HB3 1 31 GLN H 1.800 . 6.000 3.351 2.480 3.786 . 0 0 "[ . 1 . 2]" 1
274 1 30 ARG HB2 1 31 GLN H 1.800 . 5.000 2.700 2.380 3.478 . 0 0 "[ . 1 . 2]" 1
275 1 17 ILE HA 1 31 GLN H 1.800 . 4.000 3.197 2.600 3.633 . 0 0 "[ . 1 . 2]" 1
276 1 17 ILE MD 1 31 GLN H 1.800 . 6.000 5.184 4.708 5.713 . 0 0 "[ . 1 . 2]" 1
277 1 16 HIS HB2 1 31 GLN H 1.800 . 6.000 4.682 3.524 5.337 . 0 0 "[ . 1 . 2]" 1
278 1 15 GLN HA 1 31 GLN H 1.800 . 6.000 4.442 4.150 4.880 . 0 0 "[ . 1 . 2]" 1
279 1 15 GLN HG3 1 31 GLN H 1.800 . 6.000 3.535 2.890 4.942 . 0 0 "[ . 1 . 2]" 1
280 1 17 ILE HG13 1 31 GLN H 1.800 . 5.000 4.436 3.984 5.030 0.030 9 0 "[ . 1 . 2]" 1
281 1 17 ILE HG12 1 31 GLN H 1.800 . 6.000 3.869 3.265 4.637 . 0 0 "[ . 1 . 2]" 1
282 1 31 GLN H 1 79 GLN HA 1.800 . 6.000 4.805 4.510 4.985 . 0 0 "[ . 1 . 2]" 1
283 1 15 GLN HB2 1 31 GLN H 1.800 . 6.000 5.781 5.287 6.044 0.044 20 0 "[ . 1 . 2]" 1
284 1 31 GLN HA 1 32 TRP H 1.800 . 4.000 2.307 2.133 2.391 . 0 0 "[ . 1 . 2]" 1
285 1 31 GLN HB2 1 32 TRP H 1.800 . 6.000 4.170 3.764 4.605 . 0 0 "[ . 1 . 2]" 1
286 1 31 GLN HB3 1 32 TRP H 1.800 . 6.000 3.134 2.423 3.891 . 0 0 "[ . 1 . 2]" 1
287 1 31 GLN QG 1 32 TRP H 1.800 . 5.000 2.866 2.335 3.673 . 0 0 "[ . 1 . 2]" 1
288 1 32 TRP H 1 32 TRP HB3 1.800 . 4.000 3.423 2.943 3.605 . 0 0 "[ . 1 . 2]" 1
289 1 32 TRP H 1 32 TRP HB2 1.800 . 4.000 3.905 3.680 3.995 . 0 0 "[ . 1 . 2]" 1
290 1 32 TRP H 1 33 SER H 1.800 . 5.000 4.327 4.190 4.556 . 0 0 "[ . 1 . 2]" 1
291 1 32 TRP H 1 79 GLN H 1.800 . 5.500 5.084 4.954 5.262 . 0 0 "[ . 1 . 2]" 1
292 1 32 TRP H 1 79 GLN HA 1.800 . 3.500 3.273 2.956 3.567 0.067 15 0 "[ . 1 . 2]" 1
293 1 32 TRP H 1 78 GLU H 1.800 . 4.000 3.478 3.065 3.716 . 0 0 "[ . 1 . 2]" 1
294 1 32 TRP H 1 77 GLU QB 1.800 . 5.500 4.649 4.211 5.526 0.026 7 0 "[ . 1 . 2]" 1
295 1 32 TRP H 1 78 GLU QB 1.800 . 6.000 4.750 3.833 5.526 . 0 0 "[ . 1 . 2]" 1
296 1 32 TRP H 1 78 GLU HA 1.800 . 5.000 4.966 4.806 5.037 0.037 13 0 "[ . 1 . 2]" 1
297 1 32 TRP H 1 79 GLN QB 1.800 . 6.000 4.557 3.938 5.242 . 0 0 "[ . 1 . 2]" 1
298 1 32 TRP H 1 77 GLU HA 1.800 . 5.500 4.898 4.562 5.258 . 0 0 "[ . 1 . 2]" 1
299 1 32 TRP HA 1 33 SER H 1.800 . 4.000 2.242 2.161 2.370 . 0 0 "[ . 1 . 2]" 1
300 1 32 TRP HB3 1 33 SER H 1.800 . 5.000 3.919 3.691 4.083 . 0 0 "[ . 1 . 2]" 1
301 1 32 TRP HB2 1 33 SER H 1.800 . 5.000 2.846 2.497 3.179 . 0 0 "[ . 1 . 2]" 1
302 1 33 SER H 1 34 ILE H 1.800 . 5.000 4.131 4.038 4.390 . 0 0 "[ . 1 . 2]" 1
303 1 13 THR HA 1 33 SER H 1.800 . 5.000 4.257 3.930 4.602 . 0 0 "[ . 1 . 2]" 1
304 1 13 THR MG 1 33 SER H 1.800 . 6.000 3.970 3.535 4.413 . 0 0 "[ . 1 . 2]" 1
305 1 15 GLN HA 1 33 SER H 1.800 . 5.000 3.747 3.230 3.924 . 0 0 "[ . 1 . 2]" 1
306 1 33 SER H 1 34 ILE HB 1.800 . 6.000 5.078 4.437 5.961 . 0 0 "[ . 1 . 2]" 1
307 1 33 SER H 1 77 GLU QB 1.800 . 6.000 4.502 4.090 5.122 . 0 0 "[ . 1 . 2]" 1
308 1 15 GLN QG 1 33 SER H 1.800 . 6.000 5.378 4.160 5.887 . 0 0 "[ . 1 . 2]" 1
309 1 16 HIS H 1 33 SER H 1.800 . 6.500 5.725 5.385 5.950 . 0 0 "[ . 1 . 2]" 1
310 1 33 SER H 1 77 GLU HA 1.800 . 5.000 4.684 4.561 4.897 . 0 0 "[ . 1 . 2]" 1
311 1 14 GLN HA 1 33 SER H 1.800 . 5.000 4.759 4.651 4.882 . 0 0 "[ . 1 . 2]" 1
312 1 14 GLN QB 1 33 SER H 1.800 . 5.000 3.687 3.301 4.896 . 0 0 "[ . 1 . 2]" 1
313 1 33 SER HA 1 34 ILE H 1.800 . 5.000 2.162 2.136 2.258 . 0 0 "[ . 1 . 2]" 1
314 1 33 SER QB 1 34 ILE H 1.800 . 5.000 3.563 2.811 3.872 . 0 0 "[ . 1 . 2]" 1
315 1 34 ILE H 1 34 ILE HG13 1.800 . 6.000 4.282 2.931 4.494 . 0 0 "[ . 1 . 2]" 1
316 1 34 ILE H 1 34 ILE HG12 1.800 . 6.000 4.211 2.575 5.051 . 0 0 "[ . 1 . 2]" 1
317 1 34 ILE H 1 34 ILE HB 1.800 . 4.000 3.049 2.743 3.327 . 0 0 "[ . 1 . 2]" 1
318 1 34 ILE H 1 76 ILE H 1.800 . 4.000 3.479 3.010 3.985 . 0 0 "[ . 1 . 2]" 1
319 1 34 ILE H 1 34 ILE MG 1.800 . 6.000 2.777 1.986 3.949 . 0 0 "[ . 1 . 2]" 1
320 1 34 ILE H 1 76 ILE MG 1.800 . 5.500 4.668 3.029 5.109 . 0 0 "[ . 1 . 2]" 1
321 1 34 ILE H 1 77 GLU HA 1.800 . 4.000 3.201 2.834 3.627 . 0 0 "[ . 1 . 2]" 1
322 1 13 THR HA 1 34 ILE H 1.800 . 6.000 5.015 4.896 5.142 . 0 0 "[ . 1 . 2]" 1
323 1 34 ILE H 1 77 GLU QB 1.800 . 4.000 3.581 3.061 4.010 0.010 13 0 "[ . 1 . 2]" 1
324 1 34 ILE H 1 76 ILE HA 1.800 . 6.000 5.024 4.810 5.305 . 0 0 "[ . 1 . 2]" 1
325 1 34 ILE H 1 76 ILE HB 1.800 . 5.500 4.454 3.766 5.508 0.008 5 0 "[ . 1 . 2]" 1
326 1 34 ILE H 1 75 ARG HA 1.800 . 6.000 4.888 4.458 5.369 . 0 0 "[ . 1 . 2]" 1
327 1 34 ILE HA 1 35 GLU H 1.800 . 4.000 2.183 2.134 2.244 . 0 0 "[ . 1 . 2]" 1
328 1 34 ILE HB 1 35 GLU H 1.800 . 5.000 4.091 3.745 4.290 . 0 0 "[ . 1 . 2]" 1
329 1 34 ILE MG 1 35 GLU H 1.800 . 6.000 3.365 2.113 4.031 . 0 0 "[ . 1 . 2]" 1
330 1 34 ILE MD 1 35 GLU H 1.800 . 6.000 3.116 2.115 4.928 . 0 0 "[ . 1 . 2]" 1
331 1 35 GLU H 1 36 ILE H 1.800 . 5.000 4.310 4.022 4.461 . 0 0 "[ . 1 . 2]" 1
332 1 34 ILE H 1 35 GLU H 1.800 . 5.000 4.353 4.141 4.466 . 0 0 "[ . 1 . 2]" 1
333 1 13 THR HG1 1 35 GLU H 1.800 . 6.000 4.871 3.604 5.860 . 0 0 "[ . 1 . 2]" 1
334 1 12 LYS QB 1 35 GLU H 1.800 . 4.500 3.530 3.007 3.902 . 0 0 "[ . 1 . 2]" 1
335 1 11 ILE HA 1 35 GLU H 1.800 . 5.000 4.299 4.178 4.628 . 0 0 "[ . 1 . 2]" 1
336 1 35 GLU H 1 75 ARG HA 1.800 . 5.000 4.431 4.187 4.809 . 0 0 "[ . 1 . 2]" 1
337 1 35 GLU HA 1 36 ILE H 1.800 . 4.000 2.222 2.122 2.362 . 0 0 "[ . 1 . 2]" 1
338 1 35 GLU HB3 1 36 ILE H 1.800 . 5.000 4.062 3.803 4.283 . 0 0 "[ . 1 . 2]" 1
339 1 35 GLU HB2 1 36 ILE H 1.800 . 5.000 3.058 2.589 4.129 . 0 0 "[ . 1 . 2]" 1
340 1 36 ILE H 1 36 ILE HB 1.800 . 4.000 2.967 2.574 3.497 . 0 0 "[ . 1 . 2]" 1
341 1 36 ILE H 1 36 ILE MG 1.800 . 6.000 3.317 1.971 3.931 . 0 0 "[ . 1 . 2]" 1
342 1 36 ILE H 1 36 ILE MD 1.800 . 6.000 3.451 2.068 4.901 . 0 0 "[ . 1 . 2]" 1
343 1 36 ILE H 1 37 VAL H 1.800 . 5.000 4.173 3.984 4.359 . 0 0 "[ . 1 . 2]" 1
344 1 36 ILE H 1 74 PHE HA 1.800 . 5.000 4.302 3.892 4.679 . 0 0 "[ . 1 . 2]" 1
345 1 36 ILE H 1 74 PHE HB3 1.800 . 5.000 3.330 2.277 4.346 . 0 0 "[ . 1 . 2]" 1
346 1 36 ILE H 1 74 PHE QD 1.800 . 6.000 4.736 3.969 5.531 . 0 0 "[ . 1 . 2]" 1
347 1 36 ILE H 1 74 PHE HB2 1.800 . 5.000 3.162 2.121 4.448 . 0 0 "[ . 1 . 2]" 1
348 1 36 ILE H 1 75 ARG HB2 1.800 . 5.000 4.631 4.092 5.042 0.042 5 0 "[ . 1 . 2]" 1
349 1 36 ILE H 1 73 PRO HB3 1.800 . 6.000 5.174 4.428 6.029 0.029 5 0 "[ . 1 . 2]" 1
350 1 36 ILE H 1 73 PRO HB2 1.800 . 6.000 4.647 3.840 5.532 . 0 0 "[ . 1 . 2]" 1
351 1 36 ILE H 1 73 PRO HA 1.800 . 5.000 4.911 4.546 5.014 0.014 19 0 "[ . 1 . 2]" 1
352 1 36 ILE H 1 75 ARG HA 1.800 . 5.000 3.605 3.019 3.941 . 0 0 "[ . 1 . 2]" 1
353 1 36 ILE H 1 75 ARG HD3 1.800 . 6.000 5.103 3.373 6.011 0.011 1 0 "[ . 1 . 2]" 1
354 1 36 ILE H 1 74 PHE H 1.800 . 4.000 2.748 2.321 3.100 . 0 0 "[ . 1 . 2]" 1
355 1 36 ILE HA 1 37 VAL H 1.800 . 4.000 2.170 2.131 2.199 . 0 0 "[ . 1 . 2]" 1
356 1 36 ILE MD 1 37 VAL H 1.800 . 6.000 4.850 4.194 5.531 . 0 0 "[ . 1 . 2]" 1
357 1 36 ILE MG 1 37 VAL H 1.800 . 4.000 3.348 2.328 4.065 0.065 8 0 "[ . 1 . 2]" 1
358 1 37 VAL H 1 37 VAL HB 1.800 . 4.000 3.276 2.642 3.849 . 0 0 "[ . 1 . 2]" 1
359 1 9 ILE HA 1 37 VAL H 1.800 . 5.000 4.605 4.018 5.055 0.055 16 0 "[ . 1 . 2]" 1
360 1 10 ARG QB 1 37 VAL H 1.800 . 5.000 3.867 3.424 4.830 . 0 0 "[ . 1 . 2]" 1
361 1 37 VAL H 1 73 PRO HA 1.800 . 6.000 5.269 4.901 5.511 . 0 0 "[ . 1 . 2]" 1
362 1 37 VAL H 1 73 PRO HB3 1.800 . 6.000 4.691 4.339 5.711 . 0 0 "[ . 1 . 2]" 1
363 1 37 VAL H 1 73 PRO HB2 1.800 . 6.000 5.391 4.755 6.018 0.018 5 0 "[ . 1 . 2]" 1
364 1 37 VAL H 1 74 PHE H 1.800 . 6.000 4.798 4.482 5.106 . 0 0 "[ . 1 . 2]" 1
365 1 11 ILE HA 1 37 VAL H 1.800 . 5.000 3.559 3.157 3.999 . 0 0 "[ . 1 . 2]" 1
366 1 12 LYS QE 1 37 VAL H 1.800 . 6.000 5.619 4.771 6.009 0.009 20 0 "[ . 1 . 2]" 1
367 1 11 ILE HB 1 37 VAL H 1.800 . 6.000 5.535 4.893 6.011 0.011 5 0 "[ . 1 . 2]" 1
368 1 9 ILE HG13 1 37 VAL H 1.800 . 6.000 4.064 3.318 5.469 . 0 0 "[ . 1 . 2]" 1
369 1 38 LEU H 1 39 LEU H 1.800 . 5.000 4.352 4.222 4.427 . 0 0 "[ . 1 . 2]" 1
370 1 38 LEU H 1 39 LEU HA 1.800 . 6.000 4.683 4.598 4.873 . 0 0 "[ . 1 . 2]" 1
371 1 37 VAL H 1 38 LEU H 1.800 . 5.000 4.436 4.158 4.514 . 0 0 "[ . 1 . 2]" 1
372 1 38 LEU H 1 38 LEU HB3 1.800 . 4.000 3.414 2.646 3.748 . 0 0 "[ . 1 . 2]" 1
373 1 38 LEU H 1 38 LEU HB2 1.800 . 4.000 3.724 2.920 4.009 0.009 16 0 "[ . 1 . 2]" 1
374 1 37 VAL MG1 1 38 LEU H 1.800 . 6.000 3.018 2.122 3.993 . 0 0 "[ . 1 . 2]" 1
375 1 37 VAL MG2 1 38 LEU H 1.800 . 6.000 3.891 3.492 4.212 . 0 0 "[ . 1 . 2]" 1
376 1 8 THR MG 1 38 LEU H 1.800 . 6.000 5.564 5.088 5.981 . 0 0 "[ . 1 . 2]" 1
377 1 9 ILE HA 1 38 LEU H 1.800 . 5.500 4.902 4.453 5.200 . 0 0 "[ . 1 . 2]" 1
378 1 38 LEU H 1 73 PRO HA 1.800 . 5.000 4.028 3.424 4.581 . 0 0 "[ . 1 . 2]" 1
379 1 38 LEU HA 1 39 LEU H 1.800 . 5.000 2.376 2.194 2.587 . 0 0 "[ . 1 . 2]" 1
380 1 38 LEU QD 1 39 LEU H 1.800 . 4.000 3.095 1.994 3.829 . 0 0 "[ . 1 . 2]" 1
381 1 38 LEU HG 1 39 LEU H 1.800 . 5.000 3.914 2.036 4.896 . 0 0 "[ . 1 . 2]" 1
382 1 39 LEU H 1 39 LEU QB 1.800 . 4.000 2.317 2.127 2.555 . 0 0 "[ . 1 . 2]" 1
383 1 39 LEU H 1 39 LEU MD2 1.800 . 5.000 3.689 2.041 4.517 . 0 0 "[ . 1 . 2]" 1
384 1 39 LEU H 1 40 ASP HA 1.800 . 6.000 5.302 5.170 5.538 . 0 0 "[ . 1 . 2]" 1
385 1 39 LEU H 1 40 ASP H 1.800 . 5.000 4.549 4.489 4.634 . 0 0 "[ . 1 . 2]" 1
386 1 38 LEU HB2 1 39 LEU H 1.800 . 6.000 2.905 2.054 4.367 . 0 0 "[ . 1 . 2]" 1
387 1 8 THR MG 1 39 LEU H 1.800 . 5.000 3.485 2.838 3.960 . 0 0 "[ . 1 . 2]" 1
388 1 8 THR HA 1 39 LEU H 1.800 . 6.000 5.019 4.682 5.365 . 0 0 "[ . 1 . 2]" 1
389 1 8 THR HB 1 39 LEU H 1.800 . 6.000 5.709 5.311 6.025 0.025 3 0 "[ . 1 . 2]" 1
390 1 7 ARG H 1 39 LEU H 1.800 . 6.500 6.352 6.031 6.502 0.002 3 0 "[ . 1 . 2]" 1
391 1 7 ARG HB3 1 39 LEU H 1.800 . 4.500 3.793 2.774 4.483 . 0 0 "[ . 1 . 2]" 1
392 1 40 ASP H 1 40 ASP HB3 1.800 . 4.000 3.580 3.105 3.802 . 0 0 "[ . 1 . 2]" 1
393 1 40 ASP H 1 40 ASP HB2 1.800 . 4.000 3.392 2.807 4.065 0.065 5 0 "[ . 1 . 2]" 1
394 1 40 ASP H 1 41 ASP QB 1.800 . 6.000 4.165 3.852 4.532 . 0 0 "[ . 1 . 2]" 1
395 1 40 ASP H 1 41 ASP HA 1.800 . 5.000 4.563 4.437 4.752 . 0 0 "[ . 1 . 2]" 1
396 1 40 ASP H 1 41 ASP H 1.800 . 4.000 2.170 1.832 2.490 . 0 0 "[ . 1 . 2]" 1
397 1 39 LEU HA 1 40 ASP H 1.800 . 5.000 2.390 2.291 2.452 . 0 0 "[ . 1 . 2]" 1
398 1 39 LEU MD2 1 40 ASP H 1.800 . 6.000 3.645 2.151 4.567 . 0 0 "[ . 1 . 2]" 1
399 1 40 ASP HA 1 41 ASP H 1.800 . 4.000 3.559 3.501 3.587 . 0 0 "[ . 1 . 2]" 1
400 1 40 ASP HB3 1 41 ASP H 1.800 . 4.000 3.096 2.257 4.063 0.063 5 0 "[ . 1 . 2]" 1
401 1 41 ASP H 1 42 GLU HB2 1.800 . 6.000 4.547 4.238 5.173 . 0 0 "[ . 1 . 2]" 1
402 1 41 ASP H 1 42 GLU QG 1.800 . 6.000 5.075 3.838 5.970 . 0 0 "[ . 1 . 2]" 1
403 1 41 ASP H 1 42 GLU HA 1.800 . 5.500 5.154 4.969 5.391 . 0 0 "[ . 1 . 2]" 1
404 1 39 LEU MD1 1 41 ASP H 1.800 . 6.000 4.879 3.353 6.055 0.055 17 0 "[ . 1 . 2]" 1
405 1 40 ASP HA 1 42 GLU H 1.800 . 6.000 3.943 3.699 4.419 . 0 0 "[ . 1 . 2]" 1
406 1 40 ASP H 1 42 GLU H 1.800 . 6.000 2.546 2.349 2.974 . 0 0 "[ . 1 . 2]" 1
407 1 41 ASP HA 1 42 GLU H 1.800 . 6.000 3.378 3.267 3.551 . 0 0 "[ . 1 . 2]" 1
408 1 41 ASP HB3 1 42 GLU H 1.800 . 6.000 4.008 2.888 4.492 . 0 0 "[ . 1 . 2]" 1
409 1 41 ASP HB2 1 42 GLU H 1.800 . 6.000 3.837 3.017 4.352 . 0 0 "[ . 1 . 2]" 1
410 1 42 GLU H 1 42 GLU HB2 1.800 . 4.000 2.275 2.107 2.647 . 0 0 "[ . 1 . 2]" 1
411 1 42 GLU H 1 42 GLU QG 1.800 . 5.000 3.331 2.377 3.889 . 0 0 "[ . 1 . 2]" 1
412 1 42 GLU H 1 43 GLY HA3 1.800 . 5.000 4.702 4.498 4.840 . 0 0 "[ . 1 . 2]" 1
413 1 42 GLU H 1 43 GLY HA2 1.800 . 5.000 4.992 4.834 5.082 0.082 5 0 "[ . 1 . 2]" 1
414 1 42 GLU H 1 44 LYS H 1.800 . 5.000 4.477 4.111 4.862 . 0 0 "[ . 1 . 2]" 1
415 1 6 LYS H 1 42 GLU H 1.800 . 6.000 5.739 5.192 6.041 0.041 9 0 "[ . 1 . 2]" 1
416 1 42 GLU H 1 45 GLU HA 1.800 . 6.000 5.963 5.096 6.058 0.058 17 0 "[ . 1 . 2]" 1
417 1 39 LEU MD1 1 42 GLU H 1.800 . 6.000 4.126 2.734 5.634 . 0 0 "[ . 1 . 2]" 1
418 1 41 ASP QB 1 43 GLY H 1.800 . 6.000 5.097 4.684 5.398 . 0 0 "[ . 1 . 2]" 1
419 1 41 ASP H 1 43 GLY H 1.800 . 6.000 4.350 3.969 4.701 . 0 0 "[ . 1 . 2]" 1
420 1 42 GLU HA 1 43 GLY H 1.800 . 5.000 3.517 3.486 3.533 . 0 0 "[ . 1 . 2]" 1
421 1 42 GLU HB2 1 43 GLY H 1.800 . 6.000 3.150 2.774 3.641 . 0 0 "[ . 1 . 2]" 1
422 1 42 GLU QG 1 43 GLY H 1.800 . 6.000 4.431 3.905 4.729 . 0 0 "[ . 1 . 2]" 1
423 1 43 GLY H 1 44 LYS HB2 1.800 . 6.000 5.337 4.775 6.061 0.061 10 0 "[ . 1 . 2]" 1
424 1 43 GLY H 1 44 LYS H 1.800 . 4.000 2.886 2.281 3.345 . 0 0 "[ . 1 . 2]" 1
425 1 43 GLY H 1 44 LYS QG 1.800 . 6.000 5.835 4.388 6.042 0.042 7 0 "[ . 1 . 2]" 1
426 1 6 LYS H 1 43 GLY H 1.800 . 5.000 3.924 3.439 4.446 . 0 0 "[ . 1 . 2]" 1
427 1 39 LEU QB 1 43 GLY H 1.800 . 6.000 3.960 2.886 5.719 . 0 0 "[ . 1 . 2]" 1
428 1 39 LEU HG 1 43 GLY H 1.800 . 6.000 5.254 4.432 6.009 0.009 8 0 "[ . 1 . 2]" 1
429 1 39 LEU MD1 1 43 GLY H 1.800 . 6.000 4.970 3.814 6.002 0.002 6 0 "[ . 1 . 2]" 1
430 1 42 GLU HA 1 44 LYS H 1.800 . 6.000 4.849 3.728 6.013 0.013 19 0 "[ . 1 . 2]" 1
431 1 42 GLU HB3 1 44 LYS H 1.800 . 6.000 5.415 4.921 6.010 0.010 5 0 "[ . 1 . 2]" 1
432 1 43 GLY HA2 1 44 LYS H 1.800 . 6.000 3.095 2.580 3.566 . 0 0 "[ . 1 . 2]" 1
433 1 44 LYS H 1 44 LYS HB3 1.800 . 4.000 3.775 3.192 4.072 0.072 8 0 "[ . 1 . 2]" 1
434 1 44 LYS H 1 44 LYS HB2 1.800 . 4.000 3.032 2.213 3.905 . 0 0 "[ . 1 . 2]" 1
435 1 44 LYS H 1 45 GLU QG 1.800 . 6.000 5.542 4.966 5.981 . 0 0 "[ . 1 . 2]" 1
436 1 44 LYS H 1 45 GLU HA 1.800 . 6.000 4.899 4.160 5.259 . 0 0 "[ . 1 . 2]" 1
437 1 44 LYS H 1 45 GLU HB3 1.800 . 6.000 5.502 5.084 6.026 0.026 14 0 "[ . 1 . 2]" 1
438 1 44 LYS H 1 44 LYS QG 1.800 . 6.000 3.479 2.396 4.245 . 0 0 "[ . 1 . 2]" 1
439 1 40 ASP H 1 44 LYS H 1.800 . 6.000 5.970 5.521 6.093 0.093 9 0 "[ . 1 . 2]" 1
440 1 41 ASP HA 1 44 LYS H 1.800 . 5.500 4.691 4.220 5.111 . 0 0 "[ . 1 . 2]" 1
441 1 44 LYS HA 1 45 GLU H 1.800 . 4.000 2.305 2.128 3.579 . 0 0 "[ . 1 . 2]" 1
442 1 44 LYS HB2 1 45 GLU H 1.800 . 5.000 4.344 2.583 4.645 . 0 0 "[ . 1 . 2]" 1
443 1 45 GLU H 1 45 GLU QG 1.800 . 5.000 2.790 1.967 4.084 . 0 0 "[ . 1 . 2]" 1
444 1 45 GLU H 1 46 ILE HA 1.800 . 5.500 5.120 4.794 5.331 . 0 0 "[ . 1 . 2]" 1
445 1 45 GLU H 1 46 ILE MG 1.800 . 6.000 5.698 5.172 6.016 0.016 9 0 "[ . 1 . 2]" 1
446 1 45 GLU H 1 46 ILE H 1.800 . 5.000 2.916 2.562 3.456 . 0 0 "[ . 1 . 2]" 1
447 1 44 LYS QG 1 45 GLU H 1.800 . 6.000 3.804 3.168 4.429 . 0 0 "[ . 1 . 2]" 1
448 1 41 ASP HA 1 45 GLU H 1.800 . 5.000 3.716 3.051 4.344 . 0 0 "[ . 1 . 2]" 1
449 1 45 GLU HA 1 46 ILE H 1.800 . 5.000 3.018 2.673 3.493 . 0 0 "[ . 1 . 2]" 1
450 1 45 GLU HB3 1 46 ILE H 1.800 . 5.000 4.374 3.764 4.675 . 0 0 "[ . 1 . 2]" 1
451 1 45 GLU HB2 1 46 ILE H 1.800 . 5.000 4.401 3.780 4.644 . 0 0 "[ . 1 . 2]" 1
452 1 45 GLU QG 1 46 ILE H 1.800 . 6.000 3.677 2.191 4.656 . 0 0 "[ . 1 . 2]" 1
453 1 46 ILE H 1 46 ILE HG13 1.800 . 6.000 2.872 2.012 3.461 . 0 0 "[ . 1 . 2]" 1
454 1 46 ILE H 1 46 ILE HG12 1.800 . 6.000 4.126 3.655 4.429 . 0 0 "[ . 1 . 2]" 1
455 1 46 ILE H 1 46 ILE MG 1.800 . 6.000 3.856 3.347 3.942 . 0 0 "[ . 1 . 2]" 1
456 1 46 ILE H 1 46 ILE MD 1.800 . 6.000 2.876 2.040 3.870 . 0 0 "[ . 1 . 2]" 1
457 1 46 ILE H 1 47 PRO HA 1.800 . 5.500 5.077 4.771 5.498 . 0 0 "[ . 1 . 2]" 1
458 1 44 LYS HA 1 46 ILE H 1.800 . 4.000 3.734 3.287 4.034 0.034 12 0 "[ . 1 . 2]" 1
459 1 44 LYS HB3 1 46 ILE H 1.800 . 5.000 3.009 2.080 4.395 . 0 0 "[ . 1 . 2]" 1
460 1 44 LYS HB2 1 46 ILE H 1.800 . 5.000 4.346 2.741 5.008 0.008 4 0 "[ . 1 . 2]" 1
461 1 44 LYS QG 1 46 ILE H 1.800 . 4.500 3.931 2.344 4.518 0.018 20 0 "[ . 1 . 2]" 1
462 1 44 LYS H 1 46 ILE H 1.800 . 6.000 5.198 4.294 5.536 . 0 0 "[ . 1 . 2]" 1
463 1 48 ALA H 1 48 ALA MB 1.800 . 4.000 2.672 2.445 2.933 . 0 0 "[ . 1 . 2]" 1
464 1 47 PRO QB 1 48 ALA H 1.800 . 6.000 2.400 2.040 2.921 . 0 0 "[ . 1 . 2]" 1
465 1 47 PRO HA 1 48 ALA H 1.800 . 6.000 2.553 2.255 3.573 . 0 0 "[ . 1 . 2]" 1
466 1 48 ALA H 1 49 THR H 1.800 . 5.000 2.481 2.039 4.314 . 0 0 "[ . 1 . 2]" 1
467 1 48 ALA MB 1 49 THR H 1.800 . 5.000 2.300 2.025 2.630 . 0 0 "[ . 1 . 2]" 1
468 1 49 THR H 1 49 THR HB 1.800 . 4.000 3.089 2.547 3.806 . 0 0 "[ . 1 . 2]" 1
469 1 49 THR H 1 50 ILE HB 1.800 . 6.000 5.323 4.954 6.010 0.010 16 0 "[ . 1 . 2]" 1
470 1 49 THR H 1 50 ILE MG 1.800 . 6.000 5.713 5.078 6.039 0.039 12 0 "[ . 1 . 2]" 1
471 1 50 ILE H 1 51 PHE HA 1.800 . 5.000 4.775 4.544 4.970 . 0 0 "[ . 1 . 2]" 1
472 1 49 THR HB 1 50 ILE H 1.800 . 6.000 2.503 1.995 3.423 . 0 0 "[ . 1 . 2]" 1
473 1 49 THR H 1 50 ILE H 1.800 . 5.000 2.459 2.126 2.664 . 0 0 "[ . 1 . 2]" 1
474 1 50 ILE H 1 50 ILE HB 1.800 . 4.000 2.908 2.583 3.669 . 0 0 "[ . 1 . 2]" 1
475 1 50 ILE H 1 50 ILE MG 1.800 . 6.000 3.812 3.467 3.947 . 0 0 "[ . 1 . 2]" 1
476 1 50 ILE H 1 50 ILE MD 1.800 . 6.000 3.554 2.551 4.036 . 0 0 "[ . 1 . 2]" 1
477 1 50 ILE H 1 51 PHE H 1.800 . 3.500 2.882 2.611 3.055 . 0 0 "[ . 1 . 2]" 1
478 1 50 ILE H 1 51 PHE HB3 1.800 . 5.000 4.183 3.836 4.347 . 0 0 "[ . 1 . 2]" 1
479 1 50 ILE H 1 51 PHE HB2 1.800 . 5.000 4.183 3.874 4.593 . 0 0 "[ . 1 . 2]" 1
480 1 49 THR HA 1 50 ILE H 1.800 . 6.000 3.580 3.561 3.592 . 0 0 "[ . 1 . 2]" 1
481 1 50 ILE H 1 93 LEU HA 1.800 . 3.500 2.361 1.874 3.345 . 0 0 "[ . 1 . 2]" 1
482 1 50 ILE H 1 93 LEU QB 1.800 . 5.000 4.119 2.674 5.001 0.001 11 0 "[ . 1 . 2]" 1
483 1 50 ILE HA 1 51 PHE H 1.800 . 5.000 3.553 3.524 3.572 . 0 0 "[ . 1 . 2]" 1
484 1 50 ILE HB 1 51 PHE H 1.800 . 6.000 1.936 1.822 2.265 . 0 0 "[ . 1 . 2]" 1
485 1 50 ILE MG 1 51 PHE H 1.800 . 6.000 2.775 2.177 3.737 . 0 0 "[ . 1 . 2]" 1
486 1 50 ILE MD 1 51 PHE H 1.800 . 5.000 3.623 2.423 4.448 . 0 0 "[ . 1 . 2]" 1
487 1 51 PHE H 1 52 ASP HB3 1.800 . 6.000 5.483 5.070 5.999 . 0 0 "[ . 1 . 2]" 1
488 1 51 PHE H 1 52 ASP HB2 1.800 . 6.000 4.803 4.468 6.053 0.053 6 0 "[ . 1 . 2]" 1
489 1 51 PHE H 1 52 ASP H 1.800 . 3.500 3.507 3.456 3.538 0.038 8 0 "[ . 1 . 2]" 1
490 1 51 PHE H 1 92 LEU H 1.800 . 4.000 3.295 2.891 3.635 . 0 0 "[ . 1 . 2]" 1
491 1 51 PHE H 1 91 PHE HA 1.800 . 5.000 4.817 4.549 5.021 0.021 4 0 "[ . 1 . 2]" 1
492 1 51 PHE H 1 92 LEU QD 1.800 . 5.500 4.730 4.000 5.094 . 0 0 "[ . 1 . 2]" 1
493 1 51 PHE H 1 92 LEU HA 1.800 . 4.000 3.233 2.690 3.480 . 0 0 "[ . 1 . 2]" 1
494 1 51 PHE HA 1 52 ASP H 1.800 . 5.000 2.193 2.142 2.244 . 0 0 "[ . 1 . 2]" 1
495 1 51 PHE HB3 1 52 ASP H 1.800 . 6.000 4.521 4.446 4.580 . 0 0 "[ . 1 . 2]" 1
496 1 51 PHE HB2 1 52 ASP H 1.800 . 6.000 4.443 4.270 4.573 . 0 0 "[ . 1 . 2]" 1
497 1 52 ASP H 1 53 LYS HG3 1.800 . 6.000 3.655 3.240 3.944 . 0 0 "[ . 1 . 2]" 1
498 1 52 ASP H 1 52 ASP HB3 1.800 . 4.000 3.342 3.063 3.913 . 0 0 "[ . 1 . 2]" 1
499 1 52 ASP H 1 52 ASP HB2 1.800 . 4.000 3.277 2.947 3.706 . 0 0 "[ . 1 . 2]" 1
500 1 52 ASP H 1 53 LYS H 1.800 . 5.000 3.891 3.617 4.249 . 0 0 "[ . 1 . 2]" 1
501 1 52 ASP H 1 53 LYS HA 1.800 . 6.000 4.466 4.327 4.652 . 0 0 "[ . 1 . 2]" 1
502 1 52 ASP H 1 53 LYS HB3 1.800 . 6.000 6.027 5.937 6.062 0.062 7 0 "[ . 1 . 2]" 1
503 1 52 ASP H 1 53 LYS HB2 1.800 . 6.000 5.780 5.310 6.030 0.030 9 0 "[ . 1 . 2]" 1
504 1 52 ASP H 1 92 LEU H 1.800 . 6.000 4.123 4.012 4.321 . 0 0 "[ . 1 . 2]" 1
505 1 52 ASP H 1 92 LEU HA 1.800 . 5.000 3.657 3.440 3.871 . 0 0 "[ . 1 . 2]" 1
506 1 52 ASP H 1 92 LEU QD 1.800 . 5.000 4.852 4.392 5.049 0.049 12 0 "[ . 1 . 2]" 1
507 1 52 ASP H 1 91 PHE H 1.800 . 4.000 3.029 2.894 3.201 . 0 0 "[ . 1 . 2]" 1
508 1 52 ASP H 1 91 PHE HA 1.800 . 4.500 4.033 3.943 4.138 . 0 0 "[ . 1 . 2]" 1
509 1 52 ASP H 1 91 PHE HB3 1.800 . 3.500 2.773 2.216 3.233 . 0 0 "[ . 1 . 2]" 1
510 1 52 ASP H 1 91 PHE HB2 1.800 . 3.500 2.018 1.877 2.401 . 0 0 "[ . 1 . 2]" 1
511 1 52 ASP HB3 1 53 LYS H 1.800 . 6.000 4.039 3.372 4.308 . 0 0 "[ . 1 . 2]" 1
512 1 53 LYS H 1 53 LYS HE2 1.800 . 6.000 4.320 2.677 5.958 . 0 0 "[ . 1 . 2]" 1
513 1 53 LYS H 1 53 LYS HG2 1.800 . 6.000 4.125 3.884 4.509 . 0 0 "[ . 1 . 2]" 1
514 1 53 LYS H 1 53 LYS HB3 1.800 . 4.000 3.739 3.621 3.888 . 0 0 "[ . 1 . 2]" 1
515 1 53 LYS H 1 53 LYS HB2 1.800 . 4.000 2.685 2.391 2.905 . 0 0 "[ . 1 . 2]" 1
516 1 53 LYS H 1 54 VAL MG1 1.800 . 6.000 5.241 3.959 6.018 0.018 11 0 "[ . 1 . 2]" 1
517 1 53 LYS H 1 54 VAL H 1.800 . 5.000 4.340 4.084 4.510 . 0 0 "[ . 1 . 2]" 1
518 1 52 ASP HA 1 53 LYS H 1.800 . 5.000 2.169 2.131 2.301 . 0 0 "[ . 1 . 2]" 1
519 1 53 LYS H 1 53 LYS HG3 1.800 . 6.000 2.937 2.401 3.462 . 0 0 "[ . 1 . 2]" 1
520 1 53 LYS H 1 54 VAL HA 1.800 . 5.500 4.997 4.698 5.251 . 0 0 "[ . 1 . 2]" 1
521 1 53 LYS H 1 91 PHE H 1.800 . 5.000 4.349 4.087 4.945 . 0 0 "[ . 1 . 2]" 1
522 1 53 LYS H 1 90 VAL HA 1.800 . 6.000 4.845 4.660 5.098 . 0 0 "[ . 1 . 2]" 1
523 1 53 LYS H 1 68 THR H 1.800 . 4.000 3.790 3.213 4.002 0.002 15 0 "[ . 1 . 2]" 1
524 1 53 LYS H 1 68 THR HA 1.800 . 5.500 5.314 4.809 5.527 0.027 10 0 "[ . 1 . 2]" 1
525 1 53 LYS H 1 68 THR HB 1.800 . 4.000 3.735 2.787 4.042 0.042 14 0 "[ . 1 . 2]" 1
526 1 53 LYS H 1 68 THR MG 1.800 . 6.000 4.752 3.609 5.349 . 0 0 "[ . 1 . 2]" 1
527 1 53 LYS HB3 1 54 VAL H 1.800 . 5.000 3.421 2.807 3.818 . 0 0 "[ . 1 . 2]" 1
528 1 53 LYS HB2 1 54 VAL H 1.800 . 5.000 4.155 3.593 4.438 . 0 0 "[ . 1 . 2]" 1
529 1 53 LYS HG3 1 54 VAL H 1.800 . 5.000 4.733 4.530 4.958 . 0 0 "[ . 1 . 2]" 1
530 1 54 VAL H 1 54 VAL HB 1.800 . 4.000 3.193 2.677 3.816 . 0 0 "[ . 1 . 2]" 1
531 1 54 VAL H 1 54 VAL MG1 1.800 . 5.000 3.262 2.084 3.981 . 0 0 "[ . 1 . 2]" 1
532 1 54 VAL H 1 54 VAL MG2 1.800 . 5.000 2.662 2.012 3.971 . 0 0 "[ . 1 . 2]" 1
533 1 54 VAL H 1 55 ILE H 1.800 . 5.000 4.392 4.075 4.548 . 0 0 "[ . 1 . 2]" 1
534 1 54 VAL H 1 55 ILE HA 1.800 . 6.000 4.938 4.599 5.165 . 0 0 "[ . 1 . 2]" 1
535 1 53 LYS HA 1 54 VAL H 1.800 . 5.000 2.170 2.140 2.261 . 0 0 "[ . 1 . 2]" 1
536 1 54 VAL H 1 55 ILE MD 1.800 . 6.000 4.454 3.218 6.039 0.039 8 0 "[ . 1 . 2]" 1
537 1 54 VAL H 1 68 THR H 1.800 . 5.000 4.673 4.438 4.981 . 0 0 "[ . 1 . 2]" 1
538 1 54 VAL H 1 90 VAL MG1 1.800 . 6.000 5.285 4.263 6.016 0.016 19 0 "[ . 1 . 2]" 1
539 1 38 LEU QD 1 54 VAL H 1.800 . 6.000 5.710 4.994 6.040 0.040 11 0 "[ . 1 . 2]" 1
540 1 9 ILE MD 1 54 VAL H 1.800 . 6.000 5.217 4.588 5.925 . 0 0 "[ . 1 . 2]" 1
541 1 54 VAL H 1 67 ARG HA 1.800 . 6.000 4.971 4.659 5.230 . 0 0 "[ . 1 . 2]" 1
542 1 54 VAL H 1 90 VAL HA 1.800 . 4.000 3.563 2.807 4.016 0.016 18 0 "[ . 1 . 2]" 1
543 1 54 VAL H 1 90 VAL H 1.800 . 6.000 4.958 4.666 5.121 . 0 0 "[ . 1 . 2]" 1
544 1 54 VAL H 1 89 SER H 1.800 . 4.000 3.357 3.008 3.769 . 0 0 "[ . 1 . 2]" 1
545 1 54 VAL H 1 89 SER HA 1.800 . 5.000 4.879 4.528 5.023 0.023 16 0 "[ . 1 . 2]" 1
546 1 54 VAL H 1 89 SER HB3 1.800 . 6.000 4.869 3.363 5.535 . 0 0 "[ . 1 . 2]" 1
547 1 54 VAL H 1 89 SER HB2 1.800 . 6.000 4.271 3.487 5.041 . 0 0 "[ . 1 . 2]" 1
548 1 54 VAL HB 1 55 ILE H 1.800 . 6.000 3.617 2.419 4.245 . 0 0 "[ . 1 . 2]" 1
549 1 54 VAL HA 1 55 ILE H 1.800 . 6.000 2.209 2.113 2.352 . 0 0 "[ . 1 . 2]" 1
550 1 55 ILE H 1 56 TYR H 1.800 . 6.000 4.448 4.280 4.566 . 0 0 "[ . 1 . 2]" 1
551 1 55 ILE H 1 55 ILE MD 1.800 . 5.000 2.707 2.049 4.318 . 0 0 "[ . 1 . 2]" 1
552 1 55 ILE H 1 55 ILE HB 1.800 . 4.000 2.809 2.583 3.065 . 0 0 "[ . 1 . 2]" 1
553 1 55 ILE H 1 55 ILE MG 1.800 . 6.000 3.863 3.054 3.959 . 0 0 "[ . 1 . 2]" 1
554 1 55 ILE H 1 89 SER H 1.800 . 5.000 4.940 4.804 5.057 0.057 3 0 "[ . 1 . 2]" 1
555 1 55 ILE H 1 67 ARG HA 1.800 . 5.000 2.856 2.146 3.434 . 0 0 "[ . 1 . 2]" 1
556 1 55 ILE H 1 67 ARG H 1.800 . 5.000 4.402 4.139 4.552 . 0 0 "[ . 1 . 2]" 1
557 1 55 ILE H 1 66 ASN HA 1.800 . 5.000 4.718 4.245 4.947 . 0 0 "[ . 1 . 2]" 1
558 1 55 ILE H 1 66 ASN HB3 1.800 . 5.000 3.369 1.979 4.034 . 0 0 "[ . 1 . 2]" 1
559 1 55 ILE H 1 66 ASN HB2 1.800 . 5.000 3.813 3.150 4.886 . 0 0 "[ . 1 . 2]" 1
560 1 55 ILE MG 1 56 TYR H 1.800 . 5.000 2.197 2.016 2.531 . 0 0 "[ . 1 . 2]" 1
561 1 55 ILE MD 1 56 TYR H 1.800 . 6.000 4.838 4.087 5.229 . 0 0 "[ . 1 . 2]" 1
562 1 55 ILE HB 1 56 TYR H 1.800 . 6.000 3.777 3.370 4.082 . 0 0 "[ . 1 . 2]" 1
563 1 55 ILE HA 1 56 TYR H 1.800 . 6.000 2.236 2.155 2.442 . 0 0 "[ . 1 . 2]" 1
564 1 56 TYR H 1 57 HIS QB 1.800 . 6.000 4.733 4.337 5.655 . 0 0 "[ . 1 . 2]" 1
565 1 56 TYR H 1 57 HIS H 1.800 . 6.000 4.290 3.771 4.454 . 0 0 "[ . 1 . 2]" 1
566 1 56 TYR H 1 88 ILE H 1.800 . 6.000 4.742 4.415 5.051 . 0 0 "[ . 1 . 2]" 1
567 1 56 TYR H 1 88 ILE HA 1.800 . 6.000 3.220 2.837 3.532 . 0 0 "[ . 1 . 2]" 1
568 1 56 TYR H 1 88 ILE HB 1.800 . 6.000 4.948 3.397 5.939 . 0 0 "[ . 1 . 2]" 1
569 1 56 TYR H 1 88 ILE MG 1.800 . 6.000 4.043 2.131 5.251 . 0 0 "[ . 1 . 2]" 1
570 1 36 ILE MD 1 56 TYR H 1.800 . 6.000 5.409 4.840 6.007 0.007 15 0 "[ . 1 . 2]" 1
571 1 36 ILE MG 1 56 TYR H 1.800 . 6.000 6.036 6.017 6.088 0.088 8 0 "[ . 1 . 2]" 1
572 1 56 TYR H 1 66 ASN HB3 1.800 . 6.000 5.441 4.422 5.958 . 0 0 "[ . 1 . 2]" 1
573 1 56 TYR H 1 66 ASN HB2 1.800 . 6.000 4.722 4.190 5.889 . 0 0 "[ . 1 . 2]" 1
574 1 56 TYR H 1 87 ASP H 1.800 . 4.000 3.105 2.725 3.671 . 0 0 "[ . 1 . 2]" 1
575 1 56 TYR H 1 87 ASP HA 1.800 . 5.000 4.827 4.636 4.992 . 0 0 "[ . 1 . 2]" 1
576 1 56 TYR H 1 86 LEU HA 1.800 . 5.000 4.950 4.627 5.028 0.028 18 0 "[ . 1 . 2]" 1
577 1 56 TYR HA 1 57 HIS H 1.800 . 6.000 2.202 2.142 2.318 . 0 0 "[ . 1 . 2]" 1
578 1 56 TYR QB 1 57 HIS H 1.800 . 6.000 3.318 2.660 3.774 . 0 0 "[ . 1 . 2]" 1
579 1 57 HIS H 1 58 LEU H 1.800 . 6.000 4.075 2.731 4.389 . 0 0 "[ . 1 . 2]" 1
580 1 57 HIS H 1 58 LEU HA 1.800 . 6.000 5.571 4.644 6.032 0.032 12 0 "[ . 1 . 2]" 1
581 1 57 HIS H 1 57 HIS HB2 1.800 . 4.000 3.705 2.602 4.040 0.040 2 0 "[ . 1 . 2]" 1
582 1 57 HIS H 1 57 HIS HB3 1.800 . 4.000 3.496 3.088 3.883 . 0 0 "[ . 1 . 2]" 1
583 1 57 HIS H 1 87 ASP H 1.800 . 6.000 4.666 4.300 5.181 . 0 0 "[ . 1 . 2]" 1
584 1 57 HIS H 1 86 LEU HA 1.800 . 5.000 4.409 3.867 5.004 0.004 9 0 "[ . 1 . 2]" 1
585 1 58 LEU H 1 59 HIS HA 1.800 . 6.000 5.410 4.908 5.723 . 0 0 "[ . 1 . 2]" 1
586 1 57 HIS HB2 1 58 LEU H 1.800 . 6.000 3.561 2.946 4.481 . 0 0 "[ . 1 . 2]" 1
587 1 57 HIS HB3 1 58 LEU H 1.800 . 6.000 4.113 3.557 4.669 . 0 0 "[ . 1 . 2]" 1
588 1 57 HIS HA 1 58 LEU H 1.800 . 6.000 2.178 2.133 2.572 . 0 0 "[ . 1 . 2]" 1
589 1 58 LEU H 1 59 HIS H 1.800 . 6.000 4.302 2.576 4.674 . 0 0 "[ . 1 . 2]" 1
590 1 58 LEU H 1 86 LEU HA 1.800 . 4.000 3.040 2.697 3.385 . 0 0 "[ . 1 . 2]" 1
591 1 58 LEU H 1 85 PRO HA 1.800 . 6.000 4.872 4.561 5.449 . 0 0 "[ . 1 . 2]" 1
592 1 58 LEU H 1 85 PRO HB3 1.800 . 6.000 6.018 5.701 6.075 0.075 20 0 "[ . 1 . 2]" 1
593 1 58 LEU H 1 86 LEU QB 1.800 . 5.000 3.759 2.267 4.702 . 0 0 "[ . 1 . 2]" 1
594 1 58 LEU H 1 86 LEU H 1.800 . 5.000 4.730 4.324 5.020 0.020 13 0 "[ . 1 . 2]" 1
595 1 58 LEU H 1 86 LEU MD1 1.800 . 5.000 3.628 1.917 5.006 0.006 16 0 "[ . 1 . 2]" 1
596 1 58 LEU H 1 86 LEU MD2 1.800 . 5.000 3.882 2.965 5.013 0.013 9 0 "[ . 1 . 2]" 1
597 1 59 HIS H 1 84 PHE HA 1.800 . 5.000 4.879 4.624 5.045 0.045 16 0 "[ . 1 . 2]" 1
598 1 59 HIS H 1 83 GLY H 1.800 . 6.000 5.826 4.170 6.041 0.041 13 0 "[ . 1 . 2]" 1
599 1 60 PRO HB3 1 61 THR H 1.800 . 6.000 4.312 4.028 4.554 . 0 0 "[ . 1 . 2]" 1
600 1 60 PRO HB2 1 61 THR H 1.800 . 6.000 3.263 2.734 3.988 . 0 0 "[ . 1 . 2]" 1
601 1 60 PRO QG 1 61 THR H 1.800 . 6.000 3.979 3.355 4.221 . 0 0 "[ . 1 . 2]" 1
602 1 61 THR H 1 61 THR MG 1.800 . 6.000 2.975 2.052 3.755 . 0 0 "[ . 1 . 2]" 1
603 1 61 THR H 1 62 PHE HA 1.800 . 6.000 5.098 4.783 5.389 . 0 0 "[ . 1 . 2]" 1
604 1 61 THR H 1 62 PHE HB3 1.800 . 6.000 5.584 4.576 6.044 0.044 13 0 "[ . 1 . 2]" 1
605 1 61 THR H 1 62 PHE HB2 1.800 . 6.000 4.905 4.331 6.076 0.076 14 0 "[ . 1 . 2]" 1
606 1 61 THR H 1 62 PHE H 1.800 . 4.000 2.741 2.639 2.823 . 0 0 "[ . 1 . 2]" 1
607 1 61 THR H 1 62 PHE QD 1.800 . 6.000 5.319 3.924 6.026 0.026 13 0 "[ . 1 . 2]" 1
608 1 60 PRO HA 1 61 THR H 1.800 . 5.000 3.443 3.318 3.543 . 0 0 "[ . 1 . 2]" 1
609 1 61 THR H 1 61 THR HB 1.800 . 4.000 2.973 2.459 3.618 . 0 0 "[ . 1 . 2]" 1
610 1 61 THR MG 1 62 PHE H 1.800 . 5.000 3.988 2.586 4.435 . 0 0 "[ . 1 . 2]" 1
611 1 62 PHE H 1 62 PHE HB3 1.800 . 4.000 3.059 2.368 3.820 . 0 0 "[ . 1 . 2]" 1
612 1 62 PHE H 1 62 PHE HB2 1.800 . 4.000 2.578 2.058 3.573 . 0 0 "[ . 1 . 2]" 1
613 1 62 PHE H 1 64 ASN H 1.800 . 6.000 4.734 2.615 6.025 0.025 15 0 "[ . 1 . 2]" 1
614 1 60 PRO HA 1 62 PHE H 1.800 . 5.000 3.313 3.078 3.523 . 0 0 "[ . 1 . 2]" 1
615 1 60 PRO HB3 1 62 PHE H 1.800 . 5.000 5.094 5.058 5.133 0.133 13 0 "[ . 1 . 2]" 1
616 1 60 PRO HB2 1 62 PHE H 1.800 . 6.000 4.719 4.598 4.848 . 0 0 "[ . 1 . 2]" 1
617 1 62 PHE HA 1 63 ALA H 1.800 . 5.000 2.929 2.155 3.580 . 0 0 "[ . 1 . 2]" 1
618 1 62 PHE HB2 1 63 ALA H 1.800 . 5.000 3.825 2.476 4.671 . 0 0 "[ . 1 . 2]" 1
619 1 62 PHE HB3 1 63 ALA H 1.800 . 5.000 3.297 2.205 4.358 . 0 0 "[ . 1 . 2]" 1
620 1 62 PHE H 1 63 ALA H 1.800 . 5.000 3.463 2.089 4.647 . 0 0 "[ . 1 . 2]" 1
621 1 63 ALA H 1 64 ASN H 1.800 . 5.000 2.681 2.163 2.945 . 0 0 "[ . 1 . 2]" 1
622 1 63 ALA H 1 63 ALA MB 1.800 . 4.000 2.172 2.080 2.246 . 0 0 "[ . 1 . 2]" 1
623 1 63 ALA H 1 64 ASN QB 1.800 . 6.000 4.960 4.265 5.613 . 0 0 "[ . 1 . 2]" 1
624 1 63 ALA HA 1 64 ASN H 1.800 . 4.000 3.521 3.237 3.577 . 0 0 "[ . 1 . 2]" 1
625 1 63 ALA MB 1 64 ASN H 1.800 . 5.000 2.698 2.404 3.436 . 0 0 "[ . 1 . 2]" 1
626 1 64 ASN H 1 64 ASN HB3 1.800 . 4.000 3.399 2.900 3.953 . 0 0 "[ . 1 . 2]" 1
627 1 64 ASN H 1 64 ASN HB2 1.800 . 4.000 3.255 2.339 4.010 0.010 20 0 "[ . 1 . 2]" 1
628 1 62 PHE HB3 1 64 ASN H 1.800 . 6.000 4.399 2.640 5.761 . 0 0 "[ . 1 . 2]" 1
629 1 62 PHE HB2 1 64 ASN H 1.800 . 6.000 5.085 3.033 6.032 0.032 13 0 "[ . 1 . 2]" 1
630 1 65 PRO HA 1 66 ASN H 1.800 . 5.000 2.464 2.199 2.654 . 0 0 "[ . 1 . 2]" 1
631 1 66 ASN H 1 66 ASN HB3 1.800 . 4.000 3.414 2.628 3.735 . 0 0 "[ . 1 . 2]" 1
632 1 66 ASN H 1 66 ASN HB2 1.800 . 4.000 2.425 2.167 2.876 . 0 0 "[ . 1 . 2]" 1
633 1 66 ASN H 1 67 ARG HA 1.800 . 6.000 5.163 4.909 5.406 . 0 0 "[ . 1 . 2]" 1
634 1 66 ASN H 1 67 ARG HD2 1.800 . 6.000 5.345 3.989 6.024 0.024 5 0 "[ . 1 . 2]" 1
635 1 66 ASN H 1 67 ARG H 1.800 . 6.000 4.489 4.402 4.599 . 0 0 "[ . 1 . 2]" 1
636 1 65 PRO QG 1 66 ASN H 1.800 . 6.000 4.227 3.717 4.647 . 0 0 "[ . 1 . 2]" 1
637 1 65 PRO HB2 1 66 ASN H 1.800 . 6.000 2.793 2.086 3.698 . 0 0 "[ . 1 . 2]" 1
638 1 55 ILE MG 1 66 ASN H 1.800 . 6.000 4.553 2.054 5.298 . 0 0 "[ . 1 . 2]" 1
639 1 55 ILE MD 1 66 ASN H 1.800 . 6.000 5.026 4.266 6.005 0.005 3 0 "[ . 1 . 2]" 1
640 1 55 ILE HA 1 66 ASN H 1.800 . 6.000 5.360 4.766 5.639 . 0 0 "[ . 1 . 2]" 1
641 1 36 ILE MG 1 66 ASN H 1.800 . 7.000 6.816 5.825 7.018 0.018 14 0 "[ . 1 . 2]" 1
642 1 36 ILE MD 1 66 ASN H 1.800 . 7.000 6.017 4.959 7.014 0.014 20 0 "[ . 1 . 2]" 1
643 1 56 TYR HA 1 66 ASN H 1.800 . 4.000 3.334 2.917 3.754 . 0 0 "[ . 1 . 2]" 1
644 1 56 TYR H 1 66 ASN H 1.800 . 6.000 5.150 4.562 5.457 . 0 0 "[ . 1 . 2]" 1
645 1 66 ASN HA 1 67 ARG H 1.800 . 4.000 2.220 2.143 2.353 . 0 0 "[ . 1 . 2]" 1
646 1 66 ASN HB3 1 67 ARG H 1.800 . 6.000 3.203 2.643 4.032 . 0 0 "[ . 1 . 2]" 1
647 1 67 ARG H 1 67 ARG QG 1.800 . 6.000 3.398 2.482 4.272 . 0 0 "[ . 1 . 2]" 1
648 1 67 ARG H 1 67 ARG HD3 1.800 . 6.000 4.126 2.065 5.858 . 0 0 "[ . 1 . 2]" 1
649 1 67 ARG H 1 67 ARG HD2 1.800 . 6.000 4.395 2.937 5.544 . 0 0 "[ . 1 . 2]" 1
650 1 67 ARG H 1 68 THR HA 1.800 . 6.000 4.733 4.468 4.937 . 0 0 "[ . 1 . 2]" 1
651 1 67 ARG H 1 67 ARG HB3 1.800 . 4.000 3.578 3.210 3.923 . 0 0 "[ . 1 . 2]" 1
652 1 36 ILE MG 1 67 ARG H 1.800 . 6.000 5.730 5.262 6.020 0.020 5 0 "[ . 1 . 2]" 1
653 1 36 ILE MD 1 67 ARG H 1.800 . 6.000 5.700 4.741 6.032 0.032 18 0 "[ . 1 . 2]" 1
654 1 54 VAL HA 1 67 ARG H 1.800 . 5.000 4.901 4.453 5.031 0.031 5 0 "[ . 1 . 2]" 1
655 1 67 ARG HA 1 68 THR H 1.800 . 5.000 2.243 2.142 2.337 . 0 0 "[ . 1 . 2]" 1
656 1 67 ARG HB2 1 68 THR H 1.800 . 6.000 3.830 2.611 4.585 . 0 0 "[ . 1 . 2]" 1
657 1 67 ARG HD3 1 68 THR H 1.800 . 6.000 5.484 4.675 5.856 . 0 0 "[ . 1 . 2]" 1
658 1 68 THR H 1 68 THR HB 1.800 . 4.000 3.007 2.595 3.489 . 0 0 "[ . 1 . 2]" 1
659 1 68 THR H 1 68 THR MG 1.800 . 5.000 3.848 3.696 3.960 . 0 0 "[ . 1 . 2]" 1
660 1 68 THR H 1 69 PHE H 1.800 . 5.000 4.162 3.889 4.498 . 0 0 "[ . 1 . 2]" 1
661 1 68 THR H 1 69 PHE HA 1.800 . 6.000 5.014 4.759 5.303 . 0 0 "[ . 1 . 2]" 1
662 1 68 THR H 1 69 PHE HB2 1.800 . 6.000 4.996 4.136 6.034 0.034 20 0 "[ . 1 . 2]" 1
663 1 67 ARG H 1 68 THR H 1.800 . 5.000 4.302 3.852 4.455 . 0 0 "[ . 1 . 2]" 1
664 1 68 THR H 1 68 THR HG1 1.800 . 6.000 3.362 2.248 4.164 . 0 0 "[ . 1 . 2]" 1
665 1 67 ARG QG 1 68 THR H 1.800 . 6.000 3.745 2.678 4.644 . 0 0 "[ . 1 . 2]" 1
666 1 54 VAL HA 1 68 THR H 1.800 . 5.000 2.972 2.634 3.280 . 0 0 "[ . 1 . 2]" 1
667 1 53 LYS HB3 1 68 THR H 1.800 . 5.000 4.587 3.887 4.990 . 0 0 "[ . 1 . 2]" 1
668 1 53 LYS HB2 1 68 THR H 1.800 . 5.000 3.474 2.825 4.216 . 0 0 "[ . 1 . 2]" 1
669 1 54 VAL QG 1 68 THR H 1.800 . 5.000 3.622 2.172 4.282 . 0 0 "[ . 1 . 2]" 1
670 1 68 THR HB 1 69 PHE H 1.800 . 5.000 4.032 3.340 4.499 . 0 0 "[ . 1 . 2]" 1
671 1 68 THR MG 1 69 PHE H 1.800 . 5.000 3.141 2.752 3.636 . 0 0 "[ . 1 . 2]" 1
672 1 69 PHE H 1 69 PHE HB2 1.800 . 4.000 3.184 2.381 3.995 . 0 0 "[ . 1 . 2]" 1
673 1 69 PHE H 1 69 PHE HB3 1.800 . 4.000 3.086 2.733 3.618 . 0 0 "[ . 1 . 2]" 1
674 1 69 PHE H 1 70 THR HA 1.800 . 5.000 4.334 4.092 4.707 . 0 0 "[ . 1 . 2]" 1
675 1 69 PHE H 1 70 THR MG 1.800 . 5.000 4.467 3.774 5.000 0.000 19 0 "[ . 1 . 2]" 1
676 1 69 PHE H 1 70 THR H 1.800 . 5.000 2.121 2.026 2.277 . 0 0 "[ . 1 . 2]" 1
677 1 69 PHE H 1 69 PHE QD 1.800 . 6.000 3.943 2.432 4.509 . 0 0 "[ . 1 . 2]" 1
678 1 68 THR HA 1 69 PHE H 1.800 . 5.000 2.141 2.107 2.184 . 0 0 "[ . 1 . 2]" 1
679 1 69 PHE H 1 71 ASP H 1.800 . 6.000 2.873 2.486 3.754 . 0 0 "[ . 1 . 2]" 1
680 1 69 PHE H 1 71 ASP QB 1.800 . 6.000 3.700 3.364 6.014 0.014 5 0 "[ . 1 . 2]" 1
681 1 69 PHE HA 1 70 THR H 1.800 . 4.000 3.564 3.536 3.577 . 0 0 "[ . 1 . 2]" 1
682 1 69 PHE HB3 1 70 THR H 1.800 . 5.000 2.707 2.222 3.975 . 0 0 "[ . 1 . 2]" 1
683 1 69 PHE HB2 1 70 THR H 1.800 . 5.000 3.519 2.651 3.705 . 0 0 "[ . 1 . 2]" 1
684 1 70 THR H 1 70 THR HB 1.800 . 4.000 3.546 3.088 3.919 . 0 0 "[ . 1 . 2]" 1
685 1 70 THR H 1 70 THR MG 1.800 . 5.000 2.834 2.067 3.648 . 0 0 "[ . 1 . 2]" 1
686 1 70 THR H 1 71 ASP HA 1.800 . 6.000 4.495 4.355 4.709 . 0 0 "[ . 1 . 2]" 1
687 1 70 THR H 1 71 ASP QB 1.800 . 5.000 3.516 3.178 5.003 0.003 5 0 "[ . 1 . 2]" 1
688 1 70 THR H 1 71 ASP H 1.800 . 4.000 2.281 1.878 2.660 . 0 0 "[ . 1 . 2]" 1
689 1 69 PHE QD 1 70 THR H 1.800 . 6.000 3.535 2.931 4.193 . 0 0 "[ . 1 . 2]" 1
690 1 69 PHE HA 1 71 ASP H 1.800 . 6.000 4.899 4.404 5.714 . 0 0 "[ . 1 . 2]" 1
691 1 69 PHE HB3 1 71 ASP H 1.800 . 6.000 4.829 3.971 5.772 . 0 0 "[ . 1 . 2]" 1
692 1 69 PHE HB2 1 71 ASP H 1.800 . 6.000 5.465 4.771 6.010 0.010 5 0 "[ . 1 . 2]" 1
693 1 70 THR HB 1 71 ASP H 1.800 . 6.000 4.410 2.812 4.659 . 0 0 "[ . 1 . 2]" 1
694 1 70 THR MG 1 71 ASP H 1.800 . 6.000 3.924 2.115 4.484 . 0 0 "[ . 1 . 2]" 1
695 1 73 PRO HA 1 74 PHE H 1.800 . 6.000 2.418 2.189 2.627 . 0 0 "[ . 1 . 2]" 1
696 1 73 PRO HB3 1 74 PHE H 1.800 . 6.000 3.279 2.591 3.878 . 0 0 "[ . 1 . 2]" 1
697 1 73 PRO HB2 1 74 PHE H 1.800 . 6.000 2.770 2.280 3.513 . 0 0 "[ . 1 . 2]" 1
698 1 74 PHE H 1 74 PHE HB3 1.800 . 4.000 3.519 3.212 3.799 . 0 0 "[ . 1 . 2]" 1
699 1 74 PHE H 1 74 PHE HB2 1.800 . 4.000 2.549 2.177 3.173 . 0 0 "[ . 1 . 2]" 1
700 1 74 PHE H 1 75 ARG HB2 1.800 . 6.000 5.259 4.535 6.103 0.103 11 0 "[ . 1 . 2]" 1
701 1 37 VAL HA 1 74 PHE H 1.800 . 5.000 3.684 3.169 4.073 . 0 0 "[ . 1 . 2]" 1
702 1 37 VAL HB 1 74 PHE H 1.800 . 6.000 5.829 5.304 6.056 0.056 19 0 "[ . 1 . 2]" 1
703 1 36 ILE MG 1 74 PHE H 1.800 . 4.000 3.530 2.224 4.030 0.030 9 0 "[ . 1 . 2]" 1
704 1 37 VAL QG 1 74 PHE H 1.800 . 6.000 3.408 2.727 3.777 . 0 0 "[ . 1 . 2]" 1
705 1 38 LEU H 1 74 PHE H 1.800 . 6.000 5.585 4.886 6.011 0.011 4 0 "[ . 1 . 2]" 1
706 1 35 GLU HA 1 74 PHE H 1.800 . 5.000 4.568 4.150 4.910 . 0 0 "[ . 1 . 2]" 1
707 1 36 ILE HA 1 74 PHE H 1.800 . 5.000 4.534 4.213 4.930 . 0 0 "[ . 1 . 2]" 1
708 1 74 PHE HA 1 75 ARG H 1.800 . 5.000 2.329 2.208 2.500 . 0 0 "[ . 1 . 2]" 1
709 1 74 PHE HB3 1 75 ARG H 1.800 . 6.000 3.150 2.446 4.301 . 0 0 "[ . 1 . 2]" 1
710 1 75 ARG H 1 75 ARG HB2 1.800 . 4.000 3.457 2.805 4.055 0.055 17 0 "[ . 1 . 2]" 1
711 1 75 ARG H 1 75 ARG HD3 1.800 . 6.000 4.452 2.137 5.630 . 0 0 "[ . 1 . 2]" 1
712 1 75 ARG H 1 75 ARG HD2 1.800 . 6.000 5.206 2.993 6.016 0.016 14 0 "[ . 1 . 2]" 1
713 1 75 ARG H 1 76 ILE MG 1.800 . 6.000 5.312 4.254 6.014 0.014 14 0 "[ . 1 . 2]" 1
714 1 75 ARG H 1 76 ILE H 1.800 . 5.000 3.624 2.899 4.428 . 0 0 "[ . 1 . 2]" 1
715 1 35 GLU HB3 1 75 ARG H 1.800 . 6.000 5.035 4.691 6.061 0.061 12 0 "[ . 1 . 2]" 1
716 1 35 GLU HB2 1 75 ARG H 1.800 . 5.000 4.882 4.615 5.043 0.043 11 0 "[ . 1 . 2]" 1
717 1 74 PHE HB2 1 75 ARG H 1.800 . 6.000 4.176 3.776 4.674 . 0 0 "[ . 1 . 2]" 1
718 1 36 ILE H 1 75 ARG H 1.800 . 5.000 4.362 3.880 4.687 . 0 0 "[ . 1 . 2]" 1
719 1 35 GLU HA 1 75 ARG H 1.800 . 4.000 3.992 3.760 4.107 0.107 8 0 "[ . 1 . 2]" 1
720 1 75 ARG HA 1 76 ILE H 1.800 . 5.000 2.234 2.143 2.430 . 0 0 "[ . 1 . 2]" 1
721 1 75 ARG HB3 1 76 ILE H 1.800 . 5.000 4.347 3.752 4.570 . 0 0 "[ . 1 . 2]" 1
722 1 75 ARG HB2 1 76 ILE H 1.800 . 5.000 4.258 3.239 4.687 . 0 0 "[ . 1 . 2]" 1
723 1 75 ARG HD3 1 76 ILE H 1.800 . 6.000 5.458 2.492 6.034 0.034 8 0 "[ . 1 . 2]" 1
724 1 76 ILE H 1 76 ILE HB 1.800 . 4.000 2.881 2.655 3.369 . 0 0 "[ . 1 . 2]" 1
725 1 76 ILE H 1 76 ILE HG13 1.800 . 6.000 3.453 2.746 4.751 . 0 0 "[ . 1 . 2]" 1
726 1 76 ILE H 1 76 ILE HG12 1.800 . 6.000 4.272 2.607 5.240 . 0 0 "[ . 1 . 2]" 1
727 1 76 ILE H 1 76 ILE MG 1.800 . 5.000 3.800 2.491 3.978 . 0 0 "[ . 1 . 2]" 1
728 1 76 ILE H 1 76 ILE MD 1.800 . 5.000 2.922 2.297 4.300 . 0 0 "[ . 1 . 2]" 1
729 1 76 ILE H 1 77 GLU QG 1.800 . 6.000 5.335 4.892 6.024 0.024 7 0 "[ . 1 . 2]" 1
730 1 33 SER HA 1 76 ILE H 1.800 . 6.000 5.072 4.578 5.519 . 0 0 "[ . 1 . 2]" 1
731 1 35 GLU HA 1 76 ILE H 1.800 . 4.000 3.342 2.864 3.596 . 0 0 "[ . 1 . 2]" 1
732 1 34 ILE MG 1 76 ILE H 1.800 . 5.000 3.610 2.472 4.989 . 0 0 "[ . 1 . 2]" 1
733 1 76 ILE H 1 77 GLU HA 1.800 . 6.000 4.898 4.661 5.191 . 0 0 "[ . 1 . 2]" 1
734 1 75 ARG QG 1 76 ILE H 1.800 . 6.000 3.904 2.997 4.428 . 0 0 "[ . 1 . 2]" 1
735 1 36 ILE H 1 76 ILE H 1.800 . 6.000 5.164 4.571 5.673 . 0 0 "[ . 1 . 2]" 1
736 1 35 GLU HB3 1 76 ILE H 1.800 . 6.000 3.906 3.057 5.200 . 0 0 "[ . 1 . 2]" 1
737 1 35 GLU H 1 76 ILE H 1.800 . 6.000 4.935 4.691 5.235 . 0 0 "[ . 1 . 2]" 1
738 1 76 ILE HA 1 77 GLU H 1.800 . 5.000 2.184 2.127 2.293 . 0 0 "[ . 1 . 2]" 1
739 1 76 ILE HB 1 77 GLU H 1.800 . 5.000 4.047 3.680 4.350 . 0 0 "[ . 1 . 2]" 1
740 1 76 ILE MG 1 77 GLU H 1.800 . 5.000 2.607 2.036 3.988 . 0 0 "[ . 1 . 2]" 1
741 1 77 GLU H 1 77 GLU QG 1.800 . 4.000 2.296 1.993 4.040 0.040 7 0 "[ . 1 . 2]" 1
742 1 77 GLU H 1 78 GLU H 1.800 . 6.000 4.274 4.074 4.489 . 0 0 "[ . 1 . 2]" 1
743 1 77 GLU H 1 78 GLU QB 1.800 . 6.000 4.843 4.173 5.637 . 0 0 "[ . 1 . 2]" 1
744 1 33 SER HA 1 77 GLU H 1.800 . 5.000 4.586 4.476 4.806 . 0 0 "[ . 1 . 2]" 1
745 1 34 ILE H 1 77 GLU H 1.800 . 5.000 4.857 4.632 5.012 0.012 5 0 "[ . 1 . 2]" 1
746 1 77 GLU HA 1 78 GLU H 1.800 . 3.000 2.184 2.139 2.347 . 0 0 "[ . 1 . 2]" 1
747 1 77 GLU QB 1 78 GLU H 1.800 . 5.000 3.157 2.524 3.905 . 0 0 "[ . 1 . 2]" 1
748 1 77 GLU QG 1 78 GLU H 1.800 . 6.000 4.183 3.176 4.518 . 0 0 "[ . 1 . 2]" 1
749 1 33 SER QB 1 78 GLU H 1.800 . 5.000 4.490 3.926 5.001 0.001 16 0 "[ . 1 . 2]" 1
750 1 33 SER HA 1 78 GLU H 1.800 . 4.000 3.544 3.236 3.773 . 0 0 "[ . 1 . 2]" 1
751 1 31 GLN HA 1 78 GLU H 1.800 . 6.000 5.213 4.716 5.496 . 0 0 "[ . 1 . 2]" 1
752 1 31 GLN QG 1 78 GLU H 1.800 . 5.000 4.721 4.142 5.038 0.038 20 0 "[ . 1 . 2]" 1
753 1 76 ILE MG 1 78 GLU H 1.800 . 5.000 4.299 3.813 4.831 . 0 0 "[ . 1 . 2]" 1
754 1 32 TRP HD1 1 78 GLU H 1.800 . 5.000 4.430 2.725 5.004 0.004 9 0 "[ . 1 . 2]" 1
755 1 32 TRP HB3 1 78 GLU H 1.800 . 6.000 5.487 5.227 5.751 . 0 0 "[ . 1 . 2]" 1
756 1 32 TRP HB2 1 78 GLU H 1.800 . 5.000 4.899 4.667 5.015 0.015 1 0 "[ . 1 . 2]" 1
757 1 33 SER H 1 78 GLU H 1.800 . 6.000 5.135 4.819 5.382 . 0 0 "[ . 1 . 2]" 1
758 1 78 GLU QB 1 79 GLN H 1.800 . 5.000 2.490 2.058 3.037 . 0 0 "[ . 1 . 2]" 1
759 1 79 GLN H 1 79 GLN QG 1.800 . 6.000 2.576 2.036 4.135 . 0 0 "[ . 1 . 2]" 1
760 1 78 GLU HA 1 79 GLN H 1.800 . 6.000 2.474 2.195 2.629 . 0 0 "[ . 1 . 2]" 1
761 1 31 GLN HA 1 79 GLN H 1.800 . 6.000 4.848 4.453 5.045 . 0 0 "[ . 1 . 2]" 1
762 1 78 GLU H 1 79 GLN H 1.800 . 6.000 4.419 4.374 4.480 . 0 0 "[ . 1 . 2]" 1
763 1 31 GLN QG 1 79 GLN H 1.800 . 6.000 4.148 3.781 4.450 . 0 0 "[ . 1 . 2]" 1
764 1 79 GLN H 1 80 GLY H 1.800 . 6.000 4.433 4.253 4.512 . 0 0 "[ . 1 . 2]" 1
765 1 79 GLN HA 1 80 GLY H 1.800 . 4.000 2.369 2.131 2.607 . 0 0 "[ . 1 . 2]" 1
766 1 79 GLN QB 1 80 GLY H 1.800 . 5.000 2.709 2.062 3.685 . 0 0 "[ . 1 . 2]" 1
767 1 80 GLY H 1 81 TRP HA 1.800 . 6.000 4.900 4.586 5.419 . 0 0 "[ . 1 . 2]" 1
768 1 80 GLY H 1 81 TRP H 1.800 . 5.000 4.325 3.889 4.606 . 0 0 "[ . 1 . 2]" 1
769 1 29 VAL HA 1 80 GLY H 1.800 . 6.000 4.771 3.577 5.871 . 0 0 "[ . 1 . 2]" 1
770 1 80 GLY H 1 81 TRP HD1 1.800 . 6.000 5.631 4.292 6.060 0.060 7 0 "[ . 1 . 2]" 1
771 1 31 GLN H 1 80 GLY H 1.800 . 6.000 4.920 4.717 5.177 . 0 0 "[ . 1 . 2]" 1
772 1 30 ARG HB3 1 80 GLY H 1.800 . 6.000 5.825 4.992 6.016 0.016 11 0 "[ . 1 . 2]" 1
773 1 30 ARG HA 1 80 GLY H 1.800 . 6.000 4.766 4.548 5.086 . 0 0 "[ . 1 . 2]" 1
774 1 31 GLN HB3 1 80 GLY H 1.800 . 6.000 5.921 5.612 6.054 0.054 4 0 "[ . 1 . 2]" 1
775 1 31 GLN HB2 1 80 GLY H 1.800 . 6.000 5.297 4.707 6.019 0.019 20 0 "[ . 1 . 2]" 1
776 1 31 GLN QG 1 80 GLY H 1.800 . 6.000 3.873 2.983 4.471 . 0 0 "[ . 1 . 2]" 1
777 1 30 ARG HB2 1 80 GLY H 1.800 . 6.000 5.123 3.617 5.738 . 0 0 "[ . 1 . 2]" 1
778 1 80 GLY HA3 1 81 TRP H 1.800 . 6.000 2.286 2.143 2.491 . 0 0 "[ . 1 . 2]" 1
779 1 80 GLY HA2 1 81 TRP H 1.800 . 6.000 2.998 2.652 3.531 . 0 0 "[ . 1 . 2]" 1
780 1 81 TRP H 1 81 TRP HB3 1.800 . 4.000 3.272 2.456 3.786 . 0 0 "[ . 1 . 2]" 1
781 1 81 TRP H 1 81 TRP HB2 1.800 . 4.000 3.118 2.225 3.810 . 0 0 "[ . 1 . 2]" 1
782 1 81 TRP H 1 82 GLY HA3 1.800 . 6.000 5.076 4.757 5.479 . 0 0 "[ . 1 . 2]" 1
783 1 81 TRP H 1 82 GLY H 1.800 . 5.000 4.264 4.099 4.573 . 0 0 "[ . 1 . 2]" 1
784 1 30 ARG H 1 81 TRP H 1.800 . 6.000 4.779 4.274 5.153 . 0 0 "[ . 1 . 2]" 1
785 1 29 VAL HA 1 81 TRP H 1.800 . 6.000 5.211 4.072 6.012 0.012 18 0 "[ . 1 . 2]" 1
786 1 29 VAL MG1 1 81 TRP H 1.800 . 6.000 4.221 2.604 5.108 . 0 0 "[ . 1 . 2]" 1
787 1 29 VAL MG2 1 81 TRP H 1.800 . 6.000 5.578 4.632 6.020 0.020 18 0 "[ . 1 . 2]" 1
788 1 81 TRP HA 1 82 GLY H 1.800 . 5.000 2.148 2.127 2.167 . 0 0 "[ . 1 . 2]" 1
789 1 81 TRP HB3 1 82 GLY H 1.800 . 5.000 4.007 3.259 4.403 . 0 0 "[ . 1 . 2]" 1
790 1 81 TRP HB2 1 82 GLY H 1.800 . 5.000 3.987 3.231 4.610 . 0 0 "[ . 1 . 2]" 1
791 1 82 GLY H 1 83 GLY H 1.800 . 4.000 3.713 3.165 4.047 0.047 15 0 "[ . 1 . 2]" 1
792 1 80 GLY HA2 1 82 GLY H 1.800 . 6.000 5.978 5.757 6.051 0.051 20 0 "[ . 1 . 2]" 1
793 1 30 ARG H 1 82 GLY H 1.800 . 6.000 4.588 3.706 5.301 . 0 0 "[ . 1 . 2]" 1
794 1 30 ARG QG 1 82 GLY H 1.800 . 5.000 2.917 2.068 4.615 . 0 0 "[ . 1 . 2]" 1
795 1 82 GLY HA3 1 83 GLY H 1.800 . 5.000 2.995 2.145 3.553 . 0 0 "[ . 1 . 2]" 1
796 1 83 GLY H 1 84 PHE H 1.800 . 5.000 3.642 2.358 4.215 . 0 0 "[ . 1 . 2]" 1
797 1 83 GLY H 1 106 ASN HD21 1.800 . 6.000 4.808 4.298 5.703 . 0 0 "[ . 1 . 2]" 1
798 1 83 GLY H 1 106 ASN HD22 1.800 . 6.000 5.385 4.474 6.030 0.030 10 0 "[ . 1 . 2]" 1
799 1 83 GLY H 1 106 ASN HA 1.800 . 6.000 5.683 3.704 6.035 0.035 14 0 "[ . 1 . 2]" 1
800 1 83 GLY H 1 105 LEU MD2 1.800 . 6.000 4.458 2.863 6.007 0.007 13 0 "[ . 1 . 2]" 1
801 1 83 GLY HA3 1 84 PHE H 1.800 . 5.000 3.407 3.299 3.556 . 0 0 "[ . 1 . 2]" 1
802 1 83 GLY HA2 1 84 PHE H 1.800 . 5.000 2.222 2.147 2.711 . 0 0 "[ . 1 . 2]" 1
803 1 84 PHE H 1 85 PRO QD 1.800 . 6.000 4.365 4.353 4.384 . 0 0 "[ . 1 . 2]" 1
804 1 84 PHE H 1 105 LEU H 1.800 . 4.000 3.823 3.466 4.012 0.012 16 0 "[ . 1 . 2]" 1
805 1 84 PHE H 1 105 LEU HA 1.800 . 5.000 4.955 4.840 5.069 0.069 5 0 "[ . 1 . 2]" 1
806 1 84 PHE H 1 105 LEU HB3 1.800 . 5.000 2.521 1.968 4.691 . 0 0 "[ . 1 . 2]" 1
807 1 84 PHE H 1 105 LEU HB2 1.800 . 5.000 4.056 3.412 4.550 . 0 0 "[ . 1 . 2]" 1
808 1 84 PHE H 1 105 LEU QD 1.800 . 6.000 2.779 1.976 3.986 . 0 0 "[ . 1 . 2]" 1
809 1 84 PHE H 1 106 ASN HA 1.800 . 6.000 4.912 4.289 5.494 . 0 0 "[ . 1 . 2]" 1
810 1 59 HIS H 1 84 PHE H 1.800 . 6.000 4.926 3.628 5.527 . 0 0 "[ . 1 . 2]" 1
811 1 84 PHE H 1 106 ASN H 1.800 . 6.000 5.547 5.186 5.837 . 0 0 "[ . 1 . 2]" 1
812 1 84 PHE H 1 104 ASP HA 1.800 . 6.000 5.725 5.297 5.986 . 0 0 "[ . 1 . 2]" 1
813 1 85 PRO HA 1 86 LEU H 1.800 . 4.000 2.400 2.316 2.555 . 0 0 "[ . 1 . 2]" 1
814 1 85 PRO HB3 1 86 LEU H 1.800 . 5.000 2.973 2.647 3.450 . 0 0 "[ . 1 . 2]" 1
815 1 85 PRO HB2 1 86 LEU H 1.800 . 5.000 2.939 2.246 3.305 . 0 0 "[ . 1 . 2]" 1
816 1 86 LEU H 1 86 LEU HB2 1.800 . 4.000 3.125 2.552 3.936 . 0 0 "[ . 1 . 2]" 1
817 1 86 LEU H 1 86 LEU MD1 1.800 . 6.000 3.280 2.286 4.259 . 0 0 "[ . 1 . 2]" 1
818 1 86 LEU H 1 86 LEU MD2 1.800 . 6.000 3.825 2.193 4.781 . 0 0 "[ . 1 . 2]" 1
819 1 86 LEU H 1 87 ASP H 1.800 . 5.000 4.352 4.025 4.457 . 0 0 "[ . 1 . 2]" 1
820 1 86 LEU H 1 104 ASP QB 1.800 . 6.000 5.007 4.568 5.357 . 0 0 "[ . 1 . 2]" 1
821 1 85 PRO QG 1 86 LEU H 1.800 . 6.000 4.280 3.928 4.504 . 0 0 "[ . 1 . 2]" 1
822 1 86 LEU H 1 104 ASP HA 1.800 . 5.000 3.287 2.929 3.518 . 0 0 "[ . 1 . 2]" 1
823 1 86 LEU H 1 87 ASP HB3 1.800 . 6.000 5.798 4.442 6.074 0.074 19 0 "[ . 1 . 2]" 1
824 1 86 LEU H 1 87 ASP HB2 1.800 . 6.000 5.019 4.591 6.076 0.076 9 0 "[ . 1 . 2]" 1
825 1 86 LEU H 1 103 HIS QB 1.800 . 6.000 3.821 3.446 4.021 . 0 0 "[ . 1 . 2]" 1
826 1 86 LEU H 1 104 ASP H 1.800 . 6.000 4.735 4.456 4.951 . 0 0 "[ . 1 . 2]" 1
827 1 86 LEU HA 1 87 ASP H 1.800 . 4.000 2.364 2.138 2.517 . 0 0 "[ . 1 . 2]" 1
828 1 86 LEU HB3 1 87 ASP H 1.800 . 5.000 3.006 2.308 4.240 . 0 0 "[ . 1 . 2]" 1
829 1 86 LEU HB2 1 87 ASP H 1.800 . 5.000 3.483 2.538 4.288 . 0 0 "[ . 1 . 2]" 1
830 1 86 LEU MD1 1 87 ASP H 1.800 . 5.000 4.529 3.816 4.947 . 0 0 "[ . 1 . 2]" 1
831 1 86 LEU MD2 1 87 ASP H 1.800 . 5.000 4.267 3.588 5.031 0.031 1 0 "[ . 1 . 2]" 1
832 1 87 ASP H 1 87 ASP HB3 1.800 . 4.000 3.098 2.662 3.955 . 0 0 "[ . 1 . 2]" 1
833 1 87 ASP H 1 87 ASP HB2 1.800 . 4.000 3.339 2.759 4.010 0.010 9 0 "[ . 1 . 2]" 1
834 1 87 ASP H 1 88 ILE HA 1.800 . 6.000 4.699 4.519 4.994 . 0 0 "[ . 1 . 2]" 1
835 1 11 ILE MD 1 87 ASP H 1.800 . 6.000 5.893 5.569 6.045 0.045 1 0 "[ . 1 . 2]" 1
836 1 87 ASP H 1 103 HIS H 1.800 . 5.000 4.432 3.954 4.791 . 0 0 "[ . 1 . 2]" 1
837 1 57 HIS HA 1 87 ASP H 1.800 . 5.000 3.709 3.221 4.341 . 0 0 "[ . 1 . 2]" 1
838 1 56 TYR HA 1 87 ASP H 1.800 . 5.000 4.437 4.069 4.980 . 0 0 "[ . 1 . 2]" 1
839 1 87 ASP H 1 102 PRO HA 1.800 . 5.000 4.530 4.225 4.969 . 0 0 "[ . 1 . 2]" 1
840 1 56 TYR QB 1 87 ASP H 1.800 . 4.000 2.550 1.924 3.534 . 0 0 "[ . 1 . 2]" 1
841 1 57 HIS QB 1 87 ASP H 1.800 . 6.000 4.704 3.831 5.930 . 0 0 "[ . 1 . 2]" 1
842 1 87 ASP HA 1 88 ILE H 1.800 . 5.000 2.184 2.140 2.323 . 0 0 "[ . 1 . 2]" 1
843 1 87 ASP QB 1 88 ILE H 1.800 . 5.000 3.600 2.641 3.903 . 0 0 "[ . 1 . 2]" 1
844 1 88 ILE H 1 88 ILE HB 1.800 . 4.000 3.139 2.674 3.899 . 0 0 "[ . 1 . 2]" 1
845 1 88 ILE H 1 88 ILE MD 1.800 . 6.000 3.448 2.137 4.697 . 0 0 "[ . 1 . 2]" 1
846 1 88 ILE H 1 88 ILE MG 1.800 . 6.000 3.268 2.028 3.966 . 0 0 "[ . 1 . 2]" 1
847 1 88 ILE H 1 100 LYS HA 1.800 . 5.000 4.618 4.175 4.934 . 0 0 "[ . 1 . 2]" 1
848 1 88 ILE H 1 101 ILE H 1.800 . 4.000 3.003 2.594 3.389 . 0 0 "[ . 1 . 2]" 1
849 1 88 ILE H 1 101 ILE HA 1.800 . 5.000 4.832 4.585 5.001 0.001 10 0 "[ . 1 . 2]" 1
850 1 88 ILE H 1 101 ILE HB 1.800 . 6.000 4.639 3.260 5.807 . 0 0 "[ . 1 . 2]" 1
851 1 88 ILE H 1 101 ILE MG 1.800 . 6.000 4.445 3.102 5.277 . 0 0 "[ . 1 . 2]" 1
852 1 55 ILE MG 1 88 ILE H 1.800 . 6.000 4.954 4.275 6.012 0.012 8 0 "[ . 1 . 2]" 1
853 1 56 TYR QB 1 88 ILE H 1.800 . 6.000 5.015 4.578 5.674 . 0 0 "[ . 1 . 2]" 1
854 1 88 ILE H 1 89 SER H 1.800 . 5.000 4.277 4.128 4.465 . 0 0 "[ . 1 . 2]" 1
855 1 88 ILE HA 1 89 SER H 1.800 . 4.000 2.165 2.141 2.290 . 0 0 "[ . 1 . 2]" 1
856 1 88 ILE HB 1 89 SER H 1.800 . 6.000 3.963 2.659 4.331 . 0 0 "[ . 1 . 2]" 1
857 1 88 ILE MG 1 89 SER H 1.800 . 6.000 3.293 2.290 4.150 . 0 0 "[ . 1 . 2]" 1
858 1 89 SER H 1 89 SER HB3 1.800 . 4.000 3.229 2.775 3.711 . 0 0 "[ . 1 . 2]" 1
859 1 89 SER H 1 89 SER HB2 1.800 . 4.000 3.642 2.926 3.865 . 0 0 "[ . 1 . 2]" 1
860 1 89 SER H 1 90 VAL HA 1.800 . 6.000 4.889 4.737 5.123 . 0 0 "[ . 1 . 2]" 1
861 1 89 SER H 1 90 VAL MG1 1.800 . 6.000 5.990 5.762 6.061 0.061 7 0 "[ . 1 . 2]" 1
862 1 89 SER H 1 100 LYS HA 1.800 . 6.000 4.583 4.354 4.750 . 0 0 "[ . 1 . 2]" 1
863 1 55 ILE MG 1 89 SER H 1.800 . 6.000 4.748 4.184 5.666 . 0 0 "[ . 1 . 2]" 1
864 1 55 ILE MD 1 89 SER H 1.800 . 6.000 4.949 3.112 6.035 0.035 10 0 "[ . 1 . 2]" 1
865 1 54 VAL HA 1 89 SER H 1.800 . 5.000 4.939 4.808 5.044 0.044 17 0 "[ . 1 . 2]" 1
866 1 55 ILE HA 1 89 SER H 1.800 . 4.000 3.381 3.030 3.764 . 0 0 "[ . 1 . 2]" 1
867 1 56 TYR QB 1 89 SER H 1.800 . 6.000 5.504 4.873 6.000 0.000 15 0 "[ . 1 . 2]" 1
868 1 54 VAL QG 1 89 SER H 1.800 . 5.000 3.337 2.176 4.317 . 0 0 "[ . 1 . 2]" 1
869 1 54 VAL HB 1 89 SER H 1.800 . 5.000 4.393 3.500 5.020 0.020 8 0 "[ . 1 . 2]" 1
870 1 89 SER HA 1 90 VAL H 1.800 . 4.000 2.182 2.121 2.259 . 0 0 "[ . 1 . 2]" 1
871 1 89 SER HB2 1 90 VAL H 1.800 . 6.000 3.322 2.823 4.099 . 0 0 "[ . 1 . 2]" 1
872 1 89 SER HB3 1 90 VAL H 1.800 . 6.000 4.018 3.303 4.465 . 0 0 "[ . 1 . 2]" 1
873 1 90 VAL H 1 91 PHE HA 1.800 . 6.000 5.046 4.852 5.226 . 0 0 "[ . 1 . 2]" 1
874 1 90 VAL H 1 91 PHE H 1.800 . 6.000 4.419 4.198 4.561 . 0 0 "[ . 1 . 2]" 1
875 1 90 VAL H 1 90 VAL HB 1.800 . 4.000 2.785 2.599 3.058 . 0 0 "[ . 1 . 2]" 1
876 1 90 VAL H 1 90 VAL MG1 1.800 . 6.000 3.537 2.428 3.946 . 0 0 "[ . 1 . 2]" 1
877 1 90 VAL H 1 90 VAL MG2 1.800 . 6.000 2.884 2.339 3.981 . 0 0 "[ . 1 . 2]" 1
878 1 90 VAL H 1 99 ARG HA 1.800 . 6.000 4.681 4.291 4.907 . 0 0 "[ . 1 . 2]" 1
879 1 90 VAL H 1 99 ARG QB 1.800 . 6.000 4.490 3.853 4.840 . 0 0 "[ . 1 . 2]" 1
880 1 90 VAL H 1 100 LYS H 1.800 . 6.000 4.800 4.487 4.992 . 0 0 "[ . 1 . 2]" 1
881 1 90 VAL H 1 100 LYS HA 1.800 . 6.000 3.341 3.117 3.644 . 0 0 "[ . 1 . 2]" 1
882 1 9 ILE MD 1 90 VAL H 1.800 . 6.000 5.195 4.223 5.777 . 0 0 "[ . 1 . 2]" 1
883 1 90 VAL HA 1 91 PHE H 1.800 . 5.000 2.202 2.140 2.325 . 0 0 "[ . 1 . 2]" 1
884 1 91 PHE H 1 92 LEU HB3 1.800 . 6.000 5.607 5.010 6.039 0.039 13 0 "[ . 1 . 2]" 1
885 1 91 PHE H 1 92 LEU H 1.800 . 6.000 4.415 4.279 4.546 . 0 0 "[ . 1 . 2]" 1
886 1 90 VAL HB 1 91 PHE H 1.800 . 6.000 4.008 3.585 4.286 . 0 0 "[ . 1 . 2]" 1
887 1 90 VAL MG1 1 91 PHE H 1.800 . 5.000 2.584 2.009 3.658 . 0 0 "[ . 1 . 2]" 1
888 1 90 VAL MG2 1 91 PHE H 1.800 . 5.000 3.618 2.007 4.233 . 0 0 "[ . 1 . 2]" 1
889 1 91 PHE H 1 92 LEU HA 1.800 . 6.000 4.861 4.661 5.177 . 0 0 "[ . 1 . 2]" 1
890 1 52 ASP HA 1 91 PHE H 1.800 . 5.000 4.774 4.574 4.983 . 0 0 "[ . 1 . 2]" 1
891 1 91 PHE H 1 98 GLU HA 1.800 . 5.000 4.531 3.765 5.033 0.033 11 0 "[ . 1 . 2]" 1
892 1 90 VAL MG1 1 92 LEU H 1.800 . 6.000 4.880 4.425 5.158 . 0 0 "[ . 1 . 2]" 1
893 1 91 PHE HA 1 92 LEU H 1.800 . 5.000 2.320 2.251 2.378 . 0 0 "[ . 1 . 2]" 1
894 1 91 PHE HB3 1 92 LEU H 1.800 . 5.000 2.709 2.556 2.936 . 0 0 "[ . 1 . 2]" 1
895 1 91 PHE HB2 1 92 LEU H 1.800 . 6.000 3.929 3.664 4.124 . 0 0 "[ . 1 . 2]" 1
896 1 92 LEU H 1 92 LEU QD 1.800 . 5.000 3.080 1.913 4.053 . 0 0 "[ . 1 . 2]" 1
897 1 92 LEU H 1 93 LEU HA 1.800 . 6.000 4.627 4.235 5.211 . 0 0 "[ . 1 . 2]" 1
898 1 92 LEU H 1 93 LEU QD 1.800 . 6.000 5.241 4.598 5.929 . 0 0 "[ . 1 . 2]" 1
899 1 92 LEU H 1 93 LEU H 1.800 . 5.000 3.159 2.029 4.390 . 0 0 "[ . 1 . 2]" 1
900 1 91 PHE HD1 1 92 LEU H 1.800 . 6.000 4.530 2.429 5.700 . 0 0 "[ . 1 . 2]" 1
901 1 51 PHE HA 1 92 LEU H 1.800 . 5.000 3.415 3.290 3.546 . 0 0 "[ . 1 . 2]" 1
902 1 51 PHE HB3 1 92 LEU H 1.800 . 6.000 6.014 5.882 6.051 0.051 5 0 "[ . 1 . 2]" 1
903 1 51 PHE HB2 1 92 LEU H 1.800 . 6.000 4.932 4.826 5.085 . 0 0 "[ . 1 . 2]" 1
904 1 92 LEU HA 1 93 LEU H 1.800 . 5.000 3.208 2.585 3.605 . 0 0 "[ . 1 . 2]" 1
905 1 93 LEU H 1 93 LEU QB 1.800 . 4.000 2.696 2.212 3.454 . 0 0 "[ . 1 . 2]" 1
906 1 93 LEU H 1 93 LEU QD 1.800 . 4.000 3.107 1.791 4.017 0.017 12 0 "[ . 1 . 2]" 1
907 1 93 LEU H 1 94 GLU H 1.800 . 5.000 2.721 2.121 4.579 . 0 0 "[ . 1 . 2]" 1
908 1 51 PHE HA 1 93 LEU H 1.800 . 5.000 4.394 3.973 4.747 . 0 0 "[ . 1 . 2]" 1
909 1 93 LEU HA 1 94 GLU H 1.800 . 4.000 3.413 2.174 3.595 . 0 0 "[ . 1 . 2]" 1
910 1 93 LEU QB 1 94 GLU H 1.800 . 5.000 2.596 1.822 4.025 . 0 0 "[ . 1 . 2]" 1
911 1 93 LEU QD 1 94 GLU H 1.800 . 4.000 3.411 2.531 4.020 0.020 4 0 "[ . 1 . 2]" 1
912 1 94 GLU H 1 94 GLU HB3 1.800 . 4.000 3.436 3.055 3.862 . 0 0 "[ . 1 . 2]" 1
913 1 94 GLU H 1 94 GLU HB2 1.800 . 4.000 2.936 2.254 3.786 . 0 0 "[ . 1 . 2]" 1
914 1 94 GLU H 1 95 LYS H 1.800 . 5.000 2.849 2.072 4.372 . 0 0 "[ . 1 . 2]" 1
915 1 94 GLU H 1 96 ALA H 1.800 . 6.000 4.007 2.433 6.082 0.082 15 0 "[ . 1 . 2]" 1
916 1 94 GLU H 1 95 LYS QB 1.800 . 6.000 4.994 3.102 6.060 0.060 10 0 "[ . 1 . 2]" 1
917 1 94 GLU H 1 95 LYS QG 1.800 . 6.000 4.856 3.299 6.032 0.032 10 0 "[ . 1 . 2]" 1
918 1 94 GLU H 1 95 LYS HA 1.800 . 5.000 4.496 4.208 4.965 . 0 0 "[ . 1 . 2]" 1
919 1 94 GLU H 1 95 LYS QD 1.800 . 6.000 4.809 3.088 6.004 0.004 20 0 "[ . 1 . 2]" 1
920 1 94 GLU H 1 95 LYS QE 1.800 . 6.000 4.811 2.685 6.012 0.012 13 0 "[ . 1 . 2]" 1
921 1 94 GLU HA 1 95 LYS H 1.800 . 5.000 3.167 2.379 3.587 . 0 0 "[ . 1 . 2]" 1
922 1 94 GLU HB3 1 95 LYS H 1.800 . 5.000 2.993 1.983 4.288 . 0 0 "[ . 1 . 2]" 1
923 1 94 GLU HB2 1 95 LYS H 1.800 . 5.000 3.547 2.313 4.596 . 0 0 "[ . 1 . 2]" 1
924 1 95 LYS H 1 95 LYS QG 1.800 . 5.000 3.031 2.013 4.213 . 0 0 "[ . 1 . 2]" 1
925 1 95 LYS H 1 95 LYS QE 1.800 . 6.000 3.628 2.793 4.827 . 0 0 "[ . 1 . 2]" 1
926 1 95 LYS H 1 95 LYS QD 1.800 . 6.000 2.937 1.925 4.213 . 0 0 "[ . 1 . 2]" 1
927 1 95 LYS H 1 96 ALA H 1.800 . 5.000 3.038 2.127 4.330 . 0 0 "[ . 1 . 2]" 1
928 1 95 LYS H 1 97 GLY H 1.800 . 6.000 4.839 3.994 5.877 . 0 0 "[ . 1 . 2]" 1
929 1 93 LEU QD 1 95 LYS H 1.800 . 6.000 4.807 2.629 6.006 0.006 5 0 "[ . 1 . 2]" 1
930 1 96 ALA H 1 97 GLY HA3 1.800 . 5.000 4.764 4.451 5.029 0.029 2 0 "[ . 1 . 2]" 1
931 1 96 ALA H 1 97 GLY HA2 1.800 . 5.000 4.813 4.567 5.049 0.049 13 0 "[ . 1 . 2]" 1
932 1 95 LYS QB 1 96 ALA H 1.800 . 5.000 3.651 1.848 4.060 . 0 0 "[ . 1 . 2]" 1
933 1 95 LYS QD 1 96 ALA H 1.800 . 5.000 4.659 3.634 5.026 0.026 11 0 "[ . 1 . 2]" 1
934 1 96 ALA H 1 96 ALA MB 1.800 . 4.000 2.284 2.074 2.455 . 0 0 "[ . 1 . 2]" 1
935 1 96 ALA H 1 97 GLY H 1.800 . 5.000 2.258 2.026 2.577 . 0 0 "[ . 1 . 2]" 1
936 1 96 ALA H 1 98 GLU H 1.800 . 6.000 3.684 3.111 4.845 . 0 0 "[ . 1 . 2]" 1
937 1 95 LYS HA 1 96 ALA H 1.800 . 4.000 2.729 2.378 3.035 . 0 0 "[ . 1 . 2]" 1
938 1 96 ALA H 1 118 ILE MG 1.800 . 5.000 4.554 3.713 5.016 0.016 20 0 "[ . 1 . 2]" 1
939 1 96 ALA HA 1 97 GLY H 1.800 . 5.000 3.527 3.405 3.578 . 0 0 "[ . 1 . 2]" 1
940 1 96 ALA MB 1 97 GLY H 1.800 . 5.000 2.672 2.334 3.097 . 0 0 "[ . 1 . 2]" 1
941 1 97 GLY H 1 98 GLU QB 1.800 . 5.000 3.968 3.360 5.004 0.004 15 0 "[ . 1 . 2]" 1
942 1 97 GLY H 1 98 GLU H 1.800 . 4.000 2.411 2.005 2.874 . 0 0 "[ . 1 . 2]" 1
943 1 97 GLY H 1 99 ARG H 1.800 . 6.000 5.852 5.469 6.073 0.073 19 0 "[ . 1 . 2]" 1
944 1 97 GLY H 1 98 GLU HA 1.800 . 6.000 4.518 4.121 5.354 . 0 0 "[ . 1 . 2]" 1
945 1 92 LEU QD 1 97 GLY H 1.800 . 6.000 2.716 1.814 4.837 . 0 0 "[ . 1 . 2]" 1
946 1 92 LEU HB3 1 97 GLY H 1.800 . 6.000 4.414 2.569 5.740 . 0 0 "[ . 1 . 2]" 1
947 1 92 LEU HB2 1 97 GLY H 1.800 . 6.000 4.785 2.827 5.884 . 0 0 "[ . 1 . 2]" 1
948 1 97 GLY HA3 1 98 GLU H 1.800 . 6.000 3.361 2.356 3.564 . 0 0 "[ . 1 . 2]" 1
949 1 97 GLY HA2 1 98 GLU H 1.800 . 6.000 3.066 2.767 3.538 . 0 0 "[ . 1 . 2]" 1
950 1 98 GLU H 1 98 GLU HB3 1.800 . 4.000 2.929 2.398 4.026 0.026 3 0 "[ . 1 . 2]" 1
951 1 98 GLU H 1 98 GLU HB2 1.800 . 4.000 2.913 2.213 3.732 . 0 0 "[ . 1 . 2]" 1
952 1 98 GLU H 1 99 ARG QB 1.800 . 5.000 4.707 4.203 5.014 0.014 2 0 "[ . 1 . 2]" 1
953 1 91 PHE HA 1 98 GLU H 1.800 . 5.000 4.526 2.544 5.002 0.002 4 0 "[ . 1 . 2]" 1
954 1 92 LEU QD 1 98 GLU H 1.800 . 5.000 3.717 1.924 5.037 0.037 14 0 "[ . 1 . 2]" 1
955 1 91 PHE HA 1 99 ARG H 1.800 . 5.000 4.420 3.993 4.975 . 0 0 "[ . 1 . 2]" 1
956 1 98 GLU HA 1 99 ARG H 1.800 . 6.000 2.246 2.131 2.567 . 0 0 "[ . 1 . 2]" 1
957 1 90 VAL HA 1 99 ARG H 1.800 . 5.000 4.875 4.586 5.023 0.023 15 0 "[ . 1 . 2]" 1
958 1 98 GLU HB3 1 99 ARG H 1.800 . 6.000 4.344 3.871 4.576 . 0 0 "[ . 1 . 2]" 1
959 1 98 GLU HB2 1 99 ARG H 1.800 . 6.000 4.327 3.524 4.669 . 0 0 "[ . 1 . 2]" 1
960 1 90 VAL MG2 1 99 ARG H 1.800 . 5.000 3.993 3.229 4.515 . 0 0 "[ . 1 . 2]" 1
961 1 90 VAL H 1 99 ARG H 1.800 . 4.000 3.121 2.749 3.379 . 0 0 "[ . 1 . 2]" 1
962 1 89 SER HA 1 99 ARG H 1.800 . 5.000 4.827 4.374 5.013 0.013 4 0 "[ . 1 . 2]" 1
963 1 90 VAL HB 1 99 ARG H 1.800 . 4.000 3.077 2.111 4.089 0.089 1 0 "[ . 1 . 2]" 1
964 1 99 ARG HA 1 100 LYS H 1.800 . 6.000 2.277 2.149 2.338 . 0 0 "[ . 1 . 2]" 1
965 1 99 ARG QD 1 100 LYS H 1.800 . 6.000 3.757 2.239 4.995 . 0 0 "[ . 1 . 2]" 1
966 1 100 LYS H 1 100 LYS QG 1.800 . 6.000 2.759 2.045 4.118 . 0 0 "[ . 1 . 2]" 1
967 1 89 SER HA 1 100 LYS H 1.800 . 5.000 4.535 4.270 4.795 . 0 0 "[ . 1 . 2]" 1
968 1 99 ARG H 1 100 LYS H 1.800 . 6.000 4.389 4.208 4.431 . 0 0 "[ . 1 . 2]" 1
969 1 89 SER HB3 1 100 LYS H 1.800 . 6.000 5.572 4.644 6.040 0.040 7 0 "[ . 1 . 2]" 1
970 1 89 SER HB2 1 100 LYS H 1.800 . 6.000 5.755 4.783 6.020 0.020 10 0 "[ . 1 . 2]" 1
971 1 100 LYS HA 1 101 ILE H 1.800 . 6.000 2.227 2.157 2.311 . 0 0 "[ . 1 . 2]" 1
972 1 100 LYS QB 1 101 ILE H 1.800 . 6.000 3.081 2.729 3.844 . 0 0 "[ . 1 . 2]" 1
973 1 100 LYS QD 1 101 ILE H 1.800 . 6.000 4.911 3.747 5.682 . 0 0 "[ . 1 . 2]" 1
974 1 100 LYS H 1 101 ILE H 1.800 . 6.000 4.403 4.208 4.548 . 0 0 "[ . 1 . 2]" 1
975 1 89 SER HB3 1 101 ILE H 1.800 . 6.000 4.901 4.511 5.700 . 0 0 "[ . 1 . 2]" 1
976 1 89 SER HB2 1 101 ILE H 1.800 . 6.000 5.776 4.322 6.025 0.025 3 0 "[ . 1 . 2]" 1
977 1 87 ASP HA 1 101 ILE H 1.800 . 6.000 4.712 4.430 5.078 . 0 0 "[ . 1 . 2]" 1
978 1 88 ILE HA 1 101 ILE H 1.800 . 5.000 4.763 4.554 4.995 . 0 0 "[ . 1 . 2]" 1
979 1 88 ILE HB 1 101 ILE H 1.800 . 6.000 4.043 3.100 5.192 . 0 0 "[ . 1 . 2]" 1
980 1 88 ILE MG 1 101 ILE H 1.800 . 5.000 3.963 1.990 4.987 . 0 0 "[ . 1 . 2]" 1
981 1 89 SER HA 1 101 ILE H 1.800 . 4.000 3.628 3.248 3.874 . 0 0 "[ . 1 . 2]" 1
982 1 102 PRO HA 1 103 HIS H 1.800 . 5.000 2.255 2.161 2.334 . 0 0 "[ . 1 . 2]" 1
983 1 102 PRO HB3 1 103 HIS H 1.800 . 5.000 3.825 3.636 4.083 . 0 0 "[ . 1 . 2]" 1
984 1 102 PRO HB2 1 103 HIS H 1.800 . 5.000 3.078 2.792 3.524 . 0 0 "[ . 1 . 2]" 1
985 1 103 HIS H 1 104 ASP QB 1.800 . 6.000 5.584 5.104 5.931 . 0 0 "[ . 1 . 2]" 1
986 1 103 HIS H 1 104 ASP H 1.800 . 5.000 4.439 4.408 4.525 . 0 0 "[ . 1 . 2]" 1
987 1 87 ASP HA 1 103 HIS H 1.800 . 4.000 3.330 2.848 3.721 . 0 0 "[ . 1 . 2]" 1
988 1 86 LEU MD2 1 103 HIS H 1.800 . 6.000 4.397 3.442 5.052 . 0 0 "[ . 1 . 2]" 1
989 1 87 ASP QB 1 103 HIS H 1.800 . 6.000 4.291 3.356 5.016 . 0 0 "[ . 1 . 2]" 1
990 1 86 LEU MD1 1 103 HIS H 1.800 . 6.000 4.176 3.483 5.184 . 0 0 "[ . 1 . 2]" 1
991 1 11 ILE MD 1 103 HIS H 1.800 . 6.000 5.842 5.500 6.023 0.023 13 0 "[ . 1 . 2]" 1
992 1 86 LEU H 1 103 HIS H 1.800 . 4.000 2.879 2.548 3.296 . 0 0 "[ . 1 . 2]" 1
993 1 86 LEU HA 1 103 HIS H 1.800 . 5.000 4.477 4.188 4.827 . 0 0 "[ . 1 . 2]" 1
994 1 103 HIS HA 1 104 ASP H 1.800 . 5.000 2.490 2.405 2.527 . 0 0 "[ . 1 . 2]" 1
995 1 103 HIS QB 1 104 ASP H 1.800 . 6.000 2.343 2.223 2.630 . 0 0 "[ . 1 . 2]" 1
996 1 104 ASP H 1 105 LEU H 1.800 . 6.000 4.362 3.807 4.519 . 0 0 "[ . 1 . 2]" 1
997 1 86 LEU MD2 1 104 ASP H 1.800 . 6.000 4.330 2.846 5.319 . 0 0 "[ . 1 . 2]" 1
998 1 104 ASP H 1 106 ASN H 1.800 . 6.000 5.959 5.738 6.029 0.029 16 0 "[ . 1 . 2]" 1
999 1 85 PRO HA 1 104 ASP H 1.800 . 5.000 4.779 4.547 5.017 0.017 14 0 "[ . 1 . 2]" 1
1000 1 104 ASP H 1 112 TYR HB3 1.800 . 6.000 4.826 3.524 5.785 . 0 0 "[ . 1 . 2]" 1
1001 1 104 ASP H 1 112 TYR HB2 1.800 . 6.000 4.968 3.597 5.659 . 0 0 "[ . 1 . 2]" 1
1002 1 104 ASP HA 1 105 LEU H 1.800 . 5.000 2.224 2.149 2.308 . 0 0 "[ . 1 . 2]" 1
1003 1 104 ASP QB 1 105 LEU H 1.800 . 6.000 3.198 2.706 3.730 . 0 0 "[ . 1 . 2]" 1
1004 1 105 LEU H 1 105 LEU HB3 1.800 . 4.000 2.778 2.450 3.157 . 0 0 "[ . 1 . 2]" 1
1005 1 105 LEU H 1 105 LEU HB2 1.800 . 4.000 3.010 2.439 3.799 . 0 0 "[ . 1 . 2]" 1
1006 1 105 LEU H 1 106 ASN QB 1.800 . 6.000 3.973 3.500 5.375 . 0 0 "[ . 1 . 2]" 1
1007 1 105 LEU H 1 106 ASN H 1.800 . 5.000 3.781 3.227 4.479 . 0 0 "[ . 1 . 2]" 1
1008 1 105 LEU H 1 106 ASN HA 1.800 . 6.000 5.148 4.598 5.471 . 0 0 "[ . 1 . 2]" 1
1009 1 86 LEU H 1 105 LEU H 1.800 . 6.000 4.655 4.166 5.080 . 0 0 "[ . 1 . 2]" 1
1010 1 85 PRO HA 1 105 LEU H 1.800 . 4.000 2.916 2.633 3.183 . 0 0 "[ . 1 . 2]" 1
1011 1 86 LEU MD2 1 105 LEU H 1.800 . 6.000 4.241 2.351 5.818 . 0 0 "[ . 1 . 2]" 1
1012 1 83 GLY HA3 1 105 LEU H 1.800 . 6.000 5.910 5.509 6.042 0.042 20 0 "[ . 1 . 2]" 1
1013 1 83 GLY HA2 1 105 LEU H 1.800 . 6.000 5.013 4.512 5.249 . 0 0 "[ . 1 . 2]" 1
1014 1 84 PHE HA 1 105 LEU H 1.800 . 5.000 4.282 3.962 4.632 . 0 0 "[ . 1 . 2]" 1
1015 1 105 LEU HB3 1 106 ASN H 1.800 . 6.000 4.410 4.097 4.507 . 0 0 "[ . 1 . 2]" 1
1016 1 105 LEU HB2 1 106 ASN H 1.800 . 6.000 4.545 3.823 4.668 . 0 0 "[ . 1 . 2]" 1
1017 1 105 LEU MD1 1 106 ASN H 1.800 . 5.000 4.065 3.108 5.039 0.039 18 0 "[ . 1 . 2]" 1
1018 1 105 LEU MD2 1 106 ASN H 1.800 . 6.000 4.822 2.578 5.444 . 0 0 "[ . 1 . 2]" 1
1019 1 106 ASN H 1 106 ASN QD 1.800 . 6.000 4.355 3.687 4.593 . 0 0 "[ . 1 . 2]" 1
1020 1 104 ASP HA 1 106 ASN H 1.800 . 7.000 5.289 4.825 5.778 . 0 0 "[ . 1 . 2]" 1
1021 1 105 LEU HA 1 106 ASN H 1.800 . 6.000 2.271 2.143 2.442 . 0 0 "[ . 1 . 2]" 1
1022 1 106 ASN H 1 110 GLU HB3 1.800 . 6.000 5.345 4.014 6.024 0.024 4 0 "[ . 1 . 2]" 1
1023 1 106 ASN HA 1 107 PHE H 1.800 . 4.000 2.765 2.446 2.891 . 0 0 "[ . 1 . 2]" 1
1024 1 106 ASN QB 1 107 PHE H 1.800 . 4.000 3.599 2.067 3.971 . 0 0 "[ . 1 . 2]" 1
1025 1 106 ASN H 1 107 PHE H 1.800 . 6.000 2.643 2.048 4.480 . 0 0 "[ . 1 . 2]" 1
1026 1 107 PHE H 1 107 PHE HB3 1.800 . 4.000 3.722 3.034 3.881 . 0 0 "[ . 1 . 2]" 1
1027 1 107 PHE H 1 107 PHE HB2 1.800 . 4.000 2.949 2.680 3.648 . 0 0 "[ . 1 . 2]" 1
1028 1 107 PHE H 1 108 LEU QD 1.800 . 6.000 5.635 5.356 6.007 0.007 19 0 "[ . 1 . 2]" 1
1029 1 106 ASN HD21 1 107 PHE H 1.800 . 6.000 4.413 2.144 4.860 . 0 0 "[ . 1 . 2]" 1
1030 1 106 ASN HD22 1 107 PHE H 1.800 . 6.000 5.545 3.615 6.052 0.052 16 0 "[ . 1 . 2]" 1
1031 1 83 GLY HA2 1 107 PHE H 1.800 . 6.000 5.734 4.299 6.022 0.022 15 0 "[ . 1 . 2]" 1
1032 1 107 PHE HA 1 108 LEU H 1.800 . 6.000 2.214 2.142 2.420 . 0 0 "[ . 1 . 2]" 1
1033 1 107 PHE HB3 1 108 LEU H 1.800 . 6.000 3.270 3.022 3.558 . 0 0 "[ . 1 . 2]" 1
1034 1 107 PHE HB2 1 108 LEU H 1.800 . 6.000 3.825 2.349 4.367 . 0 0 "[ . 1 . 2]" 1
1035 1 108 LEU H 1 108 LEU HB3 1.800 . 4.000 2.921 2.426 3.963 . 0 0 "[ . 1 . 2]" 1
1036 1 108 LEU H 1 108 LEU HB2 1.800 . 4.000 3.413 2.206 3.595 . 0 0 "[ . 1 . 2]" 1
1037 1 108 LEU H 1 108 LEU QD 1.800 . 5.000 2.710 1.967 4.150 . 0 0 "[ . 1 . 2]" 1
1038 1 108 LEU H 1 109 GLN H 1.800 . 5.000 4.168 2.639 4.568 . 0 0 "[ . 1 . 2]" 1
1039 1 107 PHE HA 1 109 GLN H 1.800 . 6.000 5.611 4.142 6.019 0.019 18 0 "[ . 1 . 2]" 1
1040 1 107 PHE HB3 1 109 GLN H 1.800 . 6.000 5.909 5.207 6.019 0.019 13 0 "[ . 1 . 2]" 1
1041 1 107 PHE HB2 1 109 GLN H 1.800 . 6.000 5.808 4.987 6.030 0.030 7 0 "[ . 1 . 2]" 1
1042 1 108 LEU HA 1 109 GLN H 1.800 . 5.000 2.213 2.117 2.528 . 0 0 "[ . 1 . 2]" 1
1043 1 108 LEU HB3 1 109 GLN H 1.800 . 5.000 4.137 3.312 4.374 . 0 0 "[ . 1 . 2]" 1
1044 1 108 LEU HB2 1 109 GLN H 1.800 . 5.000 3.636 3.171 4.649 . 0 0 "[ . 1 . 2]" 1
1045 1 108 LEU QD 1 109 GLN H 1.800 . 5.000 4.012 3.437 4.414 . 0 0 "[ . 1 . 2]" 1
1046 1 109 GLN H 1 110 GLU QB 1.800 . 6.000 4.358 4.223 4.577 . 0 0 "[ . 1 . 2]" 1
1047 1 109 GLN H 1 110 GLU HA 1.800 . 6.000 5.220 5.038 5.686 . 0 0 "[ . 1 . 2]" 1
1048 1 16 HIS HA 1 109 GLN H 1.800 . 5.000 1.878 1.807 2.141 . 0 0 "[ . 1 . 2]" 1
1049 1 16 HIS HB3 1 109 GLN H 1.800 . 6.000 4.539 3.334 5.153 . 0 0 "[ . 1 . 2]" 1
1050 1 16 HIS HB2 1 109 GLN H 1.800 . 6.000 4.141 3.772 4.752 . 0 0 "[ . 1 . 2]" 1
1051 1 17 ILE HA 1 109 GLN H 1.800 . 6.000 5.494 4.854 5.652 . 0 0 "[ . 1 . 2]" 1
1052 1 17 ILE MG 1 109 GLN H 1.800 . 6.000 5.691 3.414 6.044 0.044 8 0 "[ . 1 . 2]" 1
1053 1 110 GLU H 1 111 SER QB 1.800 . 5.000 4.974 4.556 5.072 0.072 5 0 "[ . 1 . 2]" 1
1054 1 110 GLU H 1 110 GLU HB3 1.800 . 4.000 2.607 2.453 3.033 . 0 0 "[ . 1 . 2]" 1
1055 1 110 GLU H 1 110 GLU HB2 1.800 . 4.000 2.888 2.639 3.360 . 0 0 "[ . 1 . 2]" 1
1056 1 109 GLN HA 1 110 GLU H 1.800 . 6.000 2.401 2.127 2.738 . 0 0 "[ . 1 . 2]" 1
1057 1 109 GLN HB3 1 110 GLU H 1.800 . 6.000 4.198 3.198 4.432 . 0 0 "[ . 1 . 2]" 1
1058 1 109 GLN HB2 1 110 GLU H 1.800 . 6.000 4.555 4.289 4.670 . 0 0 "[ . 1 . 2]" 1
1059 1 110 GLU H 1 111 SER HA 1.800 . 6.000 5.156 4.744 5.469 . 0 0 "[ . 1 . 2]" 1
1060 1 15 GLN HB3 1 110 GLU H 1.800 . 5.000 3.173 2.620 3.561 . 0 0 "[ . 1 . 2]" 1
1061 1 15 GLN HB2 1 110 GLU H 1.800 . 5.000 4.582 3.959 4.975 . 0 0 "[ . 1 . 2]" 1
1062 1 14 GLN HA 1 110 GLU H 1.800 . 5.000 4.203 4.005 4.454 . 0 0 "[ . 1 . 2]" 1
1063 1 110 GLU HA 1 111 SER H 1.800 . 5.000 2.156 2.118 2.227 . 0 0 "[ . 1 . 2]" 1
1064 1 110 GLU HB3 1 111 SER H 1.800 . 4.000 4.017 3.939 4.048 0.048 10 0 "[ . 1 . 2]" 1
1065 1 110 GLU QG 1 111 SER H 1.800 . 5.000 2.355 2.162 2.602 . 0 0 "[ . 1 . 2]" 1
1066 1 111 SER H 1 112 TYR HA 1.800 . 6.000 4.478 4.354 4.576 . 0 0 "[ . 1 . 2]" 1
1067 1 111 SER H 1 112 TYR HB3 1.800 . 6.000 5.678 5.457 5.900 . 0 0 "[ . 1 . 2]" 1
1068 1 111 SER H 1 112 TYR HB2 1.800 . 6.000 4.276 3.965 4.581 . 0 0 "[ . 1 . 2]" 1
1069 1 111 SER H 1 112 TYR H 1.800 . 4.000 3.181 2.847 3.334 . 0 0 "[ . 1 . 2]" 1
1070 1 110 GLU H 1 111 SER H 1.800 . 5.000 4.440 4.181 4.533 . 0 0 "[ . 1 . 2]" 1
1071 1 14 GLN HA 1 111 SER H 1.800 . 5.000 4.585 4.314 4.978 . 0 0 "[ . 1 . 2]" 1
1072 1 15 GLN HB3 1 111 SER H 1.800 . 6.000 5.943 5.699 6.057 0.057 9 0 "[ . 1 . 2]" 1
1073 1 15 GLN H 1 111 SER H 1.800 . 5.000 4.920 4.657 5.017 0.017 4 0 "[ . 1 . 2]" 1
1074 1 111 SER HA 1 112 TYR H 1.800 . 4.000 2.436 2.361 2.548 . 0 0 "[ . 1 . 2]" 1
1075 1 111 SER QB 1 112 TYR H 1.800 . 4.000 3.994 3.913 4.029 0.029 9 0 "[ . 1 . 2]" 1
1076 1 112 TYR H 1 112 TYR HB3 1.800 . 4.000 3.489 3.269 3.646 . 0 0 "[ . 1 . 2]" 1
1077 1 112 TYR H 1 112 TYR HB2 1.800 . 4.000 2.353 2.279 2.444 . 0 0 "[ . 1 . 2]" 1
1078 1 112 TYR H 1 113 GLU HB2 1.800 . 6.000 5.880 4.798 6.091 0.091 11 0 "[ . 1 . 2]" 1
1079 1 112 TYR H 1 113 GLU QG 1.800 . 6.000 5.744 4.801 6.021 0.021 16 0 "[ . 1 . 2]" 1
1080 1 112 TYR H 1 113 GLU H 1.800 . 5.000 4.312 4.229 4.534 . 0 0 "[ . 1 . 2]" 1
1081 1 112 TYR H 1 112 TYR QD 1.800 . 5.000 3.387 2.532 3.845 . 0 0 "[ . 1 . 2]" 1
1082 1 112 TYR H 1 113 GLU HA 1.800 . 6.000 5.181 5.035 5.304 . 0 0 "[ . 1 . 2]" 1
1083 1 13 THR HB 1 112 TYR H 1.800 . 5.000 3.431 2.774 3.945 . 0 0 "[ . 1 . 2]" 1
1084 1 13 THR MG 1 112 TYR H 1.800 . 5.000 4.274 3.132 4.852 . 0 0 "[ . 1 . 2]" 1
1085 1 12 LYS HA 1 112 TYR H 1.800 . 6.000 5.735 5.578 5.958 . 0 0 "[ . 1 . 2]" 1
1086 1 13 THR H 1 112 TYR H 1.800 . 6.000 3.872 3.665 4.062 . 0 0 "[ . 1 . 2]" 1
1087 1 112 TYR QD 1 113 GLU H 1.800 . 6.000 3.868 2.656 4.501 . 0 0 "[ . 1 . 2]" 1
1088 1 112 TYR HB3 1 113 GLU H 1.800 . 6.000 3.550 2.790 3.748 . 0 0 "[ . 1 . 2]" 1
1089 1 112 TYR HB2 1 113 GLU H 1.800 . 6.000 4.454 4.067 4.537 . 0 0 "[ . 1 . 2]" 1
1090 1 113 GLU H 1 113 GLU HB2 1.800 . 4.000 3.838 3.050 4.014 0.014 9 0 "[ . 1 . 2]" 1
1091 1 113 GLU H 1 113 GLU HB3 1.800 . 4.000 3.138 2.935 3.352 . 0 0 "[ . 1 . 2]" 1
1092 1 113 GLU H 1 113 GLU QG 1.800 . 5.000 3.050 2.496 4.259 . 0 0 "[ . 1 . 2]" 1
1093 1 110 GLU QG 1 113 GLU H 1.800 . 6.000 6.074 6.044 6.116 0.116 1 0 "[ . 1 . 2]" 1
1094 1 113 GLU H 1 114 VAL HA 1.800 . 6.000 4.723 4.632 4.822 . 0 0 "[ . 1 . 2]" 1
1095 1 112 TYR HA 1 113 GLU H 1.800 . 6.000 2.128 2.101 2.285 . 0 0 "[ . 1 . 2]" 1
1096 1 113 GLU HB2 1 114 VAL H 1.800 . 6.000 3.204 2.634 4.325 . 0 0 "[ . 1 . 2]" 1
1097 1 113 GLU H 1 114 VAL H 1.800 . 6.000 4.304 4.164 4.383 . 0 0 "[ . 1 . 2]" 1
1098 1 114 VAL H 1 114 VAL HB 1.800 . 4.000 2.954 2.667 3.878 . 0 0 "[ . 1 . 2]" 1
1099 1 114 VAL H 1 114 VAL MG1 1.800 . 5.000 3.553 2.014 3.992 . 0 0 "[ . 1 . 2]" 1
1100 1 114 VAL H 1 114 VAL MG2 1.800 . 6.000 2.767 2.291 3.889 . 0 0 "[ . 1 . 2]" 1
1101 1 11 ILE HA 1 114 VAL H 1.800 . 6.000 4.963 4.699 5.197 . 0 0 "[ . 1 . 2]" 1
1102 1 11 ILE HB 1 114 VAL H 1.800 . 6.000 4.417 4.071 4.690 . 0 0 "[ . 1 . 2]" 1
1103 1 114 VAL HA 1 115 GLU H 1.800 . 3.000 2.250 2.198 2.336 . 0 0 "[ . 1 . 2]" 1
1104 1 114 VAL MG1 1 115 GLU H 1.800 . 5.000 2.572 2.071 3.944 . 0 0 "[ . 1 . 2]" 1
1105 1 114 VAL MG2 1 115 GLU H 1.800 . 5.000 3.666 2.112 4.019 . 0 0 "[ . 1 . 2]" 1
1106 1 115 GLU H 1 115 GLU QG 1.800 . 5.000 3.174 2.615 3.875 . 0 0 "[ . 1 . 2]" 1
1107 1 11 ILE H 1 115 GLU H 1.800 . 6.000 5.138 4.900 5.326 . 0 0 "[ . 1 . 2]" 1
1108 1 114 VAL MG1 1 116 HIS H 1.800 . 6.000 4.118 3.498 6.022 0.022 19 0 "[ . 1 . 2]" 1
1109 1 115 GLU HA 1 116 HIS H 1.800 . 4.000 2.164 2.137 2.295 . 0 0 "[ . 1 . 2]" 1
1110 1 115 GLU QB 1 116 HIS H 1.800 . 5.000 3.441 2.717 3.700 . 0 0 "[ . 1 . 2]" 1
1111 1 115 GLU QG 1 116 HIS H 1.800 . 6.000 4.265 3.984 4.505 . 0 0 "[ . 1 . 2]" 1
1112 1 116 HIS H 1 116 HIS HB3 1.800 . 4.000 3.429 3.177 3.588 . 0 0 "[ . 1 . 2]" 1
1113 1 116 HIS H 1 116 HIS HB2 1.800 . 4.000 2.417 2.354 2.612 . 0 0 "[ . 1 . 2]" 1
1114 1 9 ILE MD 1 116 HIS H 1.800 . 6.000 5.400 3.790 5.734 . 0 0 "[ . 1 . 2]" 1
1115 1 10 ARG H 1 116 HIS H 1.800 . 5.000 4.945 4.758 5.012 0.012 20 0 "[ . 1 . 2]" 1
1116 1 10 ARG HA 1 116 HIS H 1.800 . 5.000 3.604 3.402 3.817 . 0 0 "[ . 1 . 2]" 1
1117 1 10 ARG QB 1 116 HIS H 1.800 . 6.000 4.960 4.103 5.274 . 0 0 "[ . 1 . 2]" 1
1118 1 114 VAL MG2 1 116 HIS H 1.800 . 6.000 5.608 3.887 6.078 0.078 20 0 "[ . 1 . 2]" 1
1119 1 9 ILE HB 1 116 HIS H 1.800 . 5.000 4.938 4.702 5.034 0.034 20 0 "[ . 1 . 2]" 1
1120 1 9 ILE HA 1 116 HIS H 1.800 . 5.000 4.788 4.631 4.924 . 0 0 "[ . 1 . 2]" 1
1121 1 116 HIS HA 1 117 VAL H 1.800 . 4.000 2.226 2.133 2.370 . 0 0 "[ . 1 . 2]" 1
1122 1 116 HIS HB2 1 117 VAL H 1.800 . 5.000 4.310 4.079 4.528 . 0 0 "[ . 1 . 2]" 1
1123 1 116 HIS H 1 117 VAL H 1.800 . 6.000 4.443 4.252 4.529 . 0 0 "[ . 1 . 2]" 1
1124 1 117 VAL H 1 117 VAL HB 1.800 . 4.000 3.219 2.716 3.768 . 0 0 "[ . 1 . 2]" 1
1125 1 117 VAL H 1 118 ILE H 1.800 . 6.000 4.476 4.275 4.580 . 0 0 "[ . 1 . 2]" 1
1126 1 117 VAL HA 1 118 ILE H 1.800 . 4.000 2.218 2.132 2.289 . 0 0 "[ . 1 . 2]" 1
1127 1 117 VAL HB 1 118 ILE H 1.800 . 5.000 3.701 2.681 4.284 . 0 0 "[ . 1 . 2]" 1
1128 1 117 VAL MG2 1 118 ILE H 1.800 . 4.000 2.817 2.102 4.022 0.022 6 0 "[ . 1 . 2]" 1
1129 1 118 ILE H 1 118 ILE HB 1.800 . 4.000 2.846 2.741 2.949 . 0 0 "[ . 1 . 2]" 1
1130 1 118 ILE H 1 118 ILE HG13 1.800 . 5.000 3.032 2.614 3.653 . 0 0 "[ . 1 . 2]" 1
1131 1 118 ILE H 1 118 ILE HG12 1.800 . 5.000 4.172 3.843 4.504 . 0 0 "[ . 1 . 2]" 1
1132 1 118 ILE H 1 119 GLN H 1.800 . 5.000 4.122 3.998 4.236 . 0 0 "[ . 1 . 2]" 1
1133 1 8 THR HA 1 118 ILE H 1.800 . 4.000 2.952 2.543 3.364 . 0 0 "[ . 1 . 2]" 1
1134 1 8 THR HB 1 118 ILE H 1.800 . 5.000 3.508 3.005 3.955 . 0 0 "[ . 1 . 2]" 1
1135 1 8 THR MG 1 118 ILE H 1.800 . 5.000 4.658 4.231 5.003 0.003 6 0 "[ . 1 . 2]" 1
1136 1 7 ARG HA 1 118 ILE H 1.800 . 6.000 4.780 4.615 5.023 . 0 0 "[ . 1 . 2]" 1
1137 1 7 ARG HB3 1 118 ILE H 1.800 . 6.000 4.430 3.478 5.664 . 0 0 "[ . 1 . 2]" 1
1138 1 7 ARG HB2 1 118 ILE H 1.800 . 6.000 3.959 2.957 5.404 . 0 0 "[ . 1 . 2]" 1
1139 1 118 ILE HA 1 119 GLN H 1.800 . 4.000 2.169 2.149 2.183 . 0 0 "[ . 1 . 2]" 1
1140 1 118 ILE HG12 1 119 GLN H 1.800 . 6.000 5.118 4.702 5.542 . 0 0 "[ . 1 . 2]" 1
1141 1 118 ILE MG 1 119 GLN H 1.800 . 6.000 2.894 2.596 3.066 . 0 0 "[ . 1 . 2]" 1
1142 1 119 GLN H 1 120 ILE H 1.800 . 5.000 4.247 4.021 4.464 . 0 0 "[ . 1 . 2]" 1
1143 1 118 ILE HB 1 119 GLN H 1.800 . 5.000 4.251 4.081 4.319 . 0 0 "[ . 1 . 2]" 1
1144 1 6 LYS HA 1 119 GLN H 1.800 . 6.000 5.324 5.028 5.585 . 0 0 "[ . 1 . 2]" 1
1145 1 119 GLN HA 1 120 ILE H 1.800 . 5.000 2.168 2.137 2.261 . 0 0 "[ . 1 . 2]" 1
1146 1 119 GLN HB2 1 120 ILE H 1.800 . 5.000 4.131 3.020 4.585 . 0 0 "[ . 1 . 2]" 1
1147 1 119 GLN HB3 1 120 ILE H 1.800 . 6.000 3.831 2.846 4.410 . 0 0 "[ . 1 . 2]" 1
1148 1 120 ILE H 1 121 PRO HB3 1.800 . 6.000 4.684 4.343 5.431 . 0 0 "[ . 1 . 2]" 1
1149 1 120 ILE H 1 121 PRO HB2 1.800 . 6.000 5.832 5.523 6.025 0.025 19 0 "[ . 1 . 2]" 1
1150 1 120 ILE H 1 121 PRO HA 1.800 . 6.000 4.330 4.172 4.529 . 0 0 "[ . 1 . 2]" 1
1151 1 120 ILE H 1 120 ILE HB 1.800 . 4.000 3.455 2.836 3.924 . 0 0 "[ . 1 . 2]" 1
1152 1 5 VAL QG 1 120 ILE H 1.800 . 5.000 3.009 1.935 3.694 . 0 0 "[ . 1 . 2]" 1
1153 1 6 LYS QB 1 120 ILE H 1.800 . 6.000 5.596 5.276 5.844 . 0 0 "[ . 1 . 2]" 1
1154 1 5 VAL HB 1 120 ILE H 1.800 . 6.000 2.703 2.167 4.984 . 0 0 "[ . 1 . 2]" 1
1155 1 92 LEU QD 1 120 ILE H 1.800 . 6.000 5.072 4.201 5.890 . 0 0 "[ . 1 . 2]" 1
1156 1 121 PRO HA 1 122 LEU H 1.800 . 4.000 3.183 2.156 3.580 . 0 0 "[ . 1 . 2]" 1
1157 1 121 PRO HB3 1 122 LEU H 1.800 . 5.000 4.052 3.311 4.657 . 0 0 "[ . 1 . 2]" 1
1158 1 121 PRO HB2 1 122 LEU H 1.800 . 5.000 3.245 2.012 4.360 . 0 0 "[ . 1 . 2]" 1
1159 1 122 LEU H 1 122 LEU HB3 1.800 . 4.000 3.408 2.828 3.915 . 0 0 "[ . 1 . 2]" 1
1160 1 122 LEU H 1 122 LEU HB2 1.800 . 4.000 2.629 2.118 3.560 . 0 0 "[ . 1 . 2]" 1
1161 1 122 LEU H 1 122 LEU QD 1.800 . 5.000 3.475 2.507 4.136 . 0 0 "[ . 1 . 2]" 1
1162 1 122 LEU H 1 123 ASN H 1.800 . 4.000 2.865 2.087 3.982 . 0 0 "[ . 1 . 2]" 1
1163 1 122 LEU H 1 123 ASN HA 1.800 . 6.000 4.822 4.196 5.307 . 0 0 "[ . 1 . 2]" 1
1164 1 121 PRO QG 1 123 ASN H 1.800 . 6.000 4.499 2.839 5.783 . 0 0 "[ . 1 . 2]" 1
1165 1 122 LEU HA 1 123 ASN H 1.800 . 5.000 3.094 2.209 3.588 . 0 0 "[ . 1 . 2]" 1
1166 1 122 LEU HB3 1 123 ASN H 1.800 . 5.000 3.452 2.084 4.498 . 0 0 "[ . 1 . 2]" 1
1167 1 122 LEU HB2 1 123 ASN H 1.800 . 5.000 3.734 2.542 4.667 . 0 0 "[ . 1 . 2]" 1
1168 1 122 LEU QD 1 123 ASN H 1.800 . 5.000 3.871 3.255 4.483 . 0 0 "[ . 1 . 2]" 1
1169 1 121 PRO HA 1 123 ASN H 1.800 . 6.000 4.888 3.722 5.993 . 0 0 "[ . 1 . 2]" 1
1170 1 3 ALA MB 1 4 THR HA 1.800 . 5.000 4.068 3.860 4.329 . 0 0 "[ . 1 . 2]" 1
1171 1 3 ALA MB 1 4 THR MG 1.800 . 6.000 4.162 3.620 4.581 . 0 0 "[ . 1 . 2]" 1
1172 1 3 ALA HA 1 4 THR MG 1.800 . 5.000 4.235 3.420 4.775 . 0 0 "[ . 1 . 2]" 1
1173 1 4 THR HA 1 5 VAL QG 1.800 . 6.000 3.411 3.229 3.637 . 0 0 "[ . 1 . 2]" 1
1174 1 4 THR HA 1 121 PRO HA 1.800 . 3.000 2.162 1.913 2.643 . 0 0 "[ . 1 . 2]" 1
1175 1 4 THR MG 1 121 PRO HA 1.800 . 6.000 4.031 3.205 5.085 . 0 0 "[ . 1 . 2]" 1
1176 1 5 VAL QG 1 6 LYS QE 1.800 . 6.000 5.449 4.460 5.956 . 0 0 "[ . 1 . 2]" 1
1177 1 5 VAL QG 1 7 ARG HD2 1.800 . 6.000 3.264 1.838 4.542 . 0 0 "[ . 1 . 2]" 1
1178 1 5 VAL QG 1 7 ARG HD3 1.800 . 6.000 3.937 2.712 5.627 . 0 0 "[ . 1 . 2]" 1
1179 1 7 ARG HA 1 8 THR HB 1.800 . 6.000 4.516 4.337 4.702 . 0 0 "[ . 1 . 2]" 1
1180 1 7 ARG HA 1 118 ILE MG 1.800 . 6.000 5.653 5.225 6.024 0.024 1 0 "[ . 1 . 2]" 1
1181 1 7 ARG HD3 1 118 ILE MG 1.800 . 5.000 4.149 2.978 5.003 0.003 15 0 "[ . 1 . 2]" 1
1182 1 7 ARG HD2 1 118 ILE MG 1.800 . 5.000 3.770 2.710 4.848 . 0 0 "[ . 1 . 2]" 1
1183 1 8 THR HA 1 117 VAL HA 1.800 . 4.000 2.234 2.007 2.516 . 0 0 "[ . 1 . 2]" 1
1184 1 8 THR HA 1 117 VAL HB 1.800 . 5.000 4.491 3.978 4.967 . 0 0 "[ . 1 . 2]" 1
1185 1 9 ILE MG 1 115 GLU HA 1.800 . 4.000 3.828 3.452 4.007 0.007 3 0 "[ . 1 . 2]" 1
1186 1 9 ILE MG 1 115 GLU QB 1.800 . 6.000 5.048 4.289 5.269 . 0 0 "[ . 1 . 2]" 1
1187 1 9 ILE HA 1 115 GLU HA 1.800 . 6.000 5.591 5.421 5.843 . 0 0 "[ . 1 . 2]" 1
1188 1 9 ILE MD 1 116 HIS HB3 1.800 . 6.000 5.516 5.068 5.977 . 0 0 "[ . 1 . 2]" 1
1189 1 9 ILE MD 1 90 VAL MG1 1.800 . 5.000 3.083 1.943 4.001 . 0 0 "[ . 1 . 2]" 1
1190 1 9 ILE MG 1 38 LEU HB3 1.800 . 6.000 5.101 4.333 6.010 0.010 6 0 "[ . 1 . 2]" 1
1191 1 9 ILE MG 1 38 LEU QD 1.800 . 6.000 4.219 2.808 5.745 . 0 0 "[ . 1 . 2]" 1
1192 1 9 ILE MD 1 38 LEU QD 1.800 . 5.000 2.242 1.837 3.295 . 0 0 "[ . 1 . 2]" 1
1193 1 9 ILE MG 1 88 ILE MG 1.800 . 5.000 4.362 3.710 5.015 0.015 11 0 "[ . 1 . 2]" 1
1194 1 9 ILE MD 1 55 ILE MD 1.800 . 6.000 3.469 2.081 4.390 . 0 0 "[ . 1 . 2]" 1
1195 1 13 THR HA 1 34 ILE HA 1.800 . 5.000 2.814 2.662 3.070 . 0 0 "[ . 1 . 2]" 1
1196 1 16 HIS HA 1 17 ILE MG 1.800 . 6.000 5.345 4.170 5.501 . 0 0 "[ . 1 . 2]" 1
1197 1 16 HIS HA 1 17 ILE HA 1.800 . 6.000 4.399 4.373 4.407 . 0 0 "[ . 1 . 2]" 1
1198 1 17 ILE HA 1 18 LEU HA 1.800 . 5.000 4.392 4.336 4.459 . 0 0 "[ . 1 . 2]" 1
1199 1 17 ILE HA 1 18 LEU QD 1.800 . 6.000 4.612 2.819 5.300 . 0 0 "[ . 1 . 2]" 1
1200 1 18 LEU QD 1 19 PRO HA 1.800 . 6.000 4.922 4.184 5.656 . 0 0 "[ . 1 . 2]" 1
1201 1 20 GLU HA 1 21 VAL HB 1.800 . 6.000 5.593 4.785 6.010 0.010 8 0 "[ . 1 . 2]" 1
1202 1 25 GLU HG3 1 26 ASN HA 1.800 . 6.000 5.030 3.988 5.896 . 0 0 "[ . 1 . 2]" 1
1203 1 25 GLU HG2 1 26 ASN HA 1.800 . 6.000 5.208 4.622 6.042 0.042 19 0 "[ . 1 . 2]" 1
1204 1 25 GLU HG3 1 26 ASN QD 1.800 . 6.000 4.772 2.766 5.851 . 0 0 "[ . 1 . 2]" 1
1205 1 25 GLU HG2 1 26 ASN QD 1.800 . 6.000 4.941 1.914 6.015 0.015 8 0 "[ . 1 . 2]" 1
1206 1 26 ASN HA 1 27 PHE QB 1.800 . 6.000 4.486 3.782 5.584 . 0 0 "[ . 1 . 2]" 1
1207 1 29 VAL MG2 1 80 GLY HA2 1.800 . 6.000 3.762 2.964 4.920 . 0 0 "[ . 1 . 2]" 1
1208 1 29 VAL MG1 1 81 TRP HA 1.800 . 6.000 4.420 3.454 5.312 . 0 0 "[ . 1 . 2]" 1
1209 1 29 VAL MG1 1 81 TRP HB3 1.800 . 6.000 5.172 3.121 5.983 . 0 0 "[ . 1 . 2]" 1
1210 1 33 SER HA 1 77 GLU HA 1.800 . 4.000 2.092 1.935 2.218 . 0 0 "[ . 1 . 2]" 1
1211 1 33 SER HA 1 77 GLU QB 1.800 . 4.000 2.419 1.977 2.937 . 0 0 "[ . 1 . 2]" 1
1212 1 35 GLU HA 1 75 ARG HA 1.800 . 3.000 2.068 1.788 2.595 0.012 8 0 "[ . 1 . 2]" 1
1213 1 35 GLU HA 1 75 ARG QB 1.800 . 5.000 3.481 1.954 4.492 . 0 0 "[ . 1 . 2]" 1
1214 1 10 ARG QB 1 37 VAL QG 1.800 . 5.000 2.665 1.839 4.140 . 0 0 "[ . 1 . 2]" 1
1215 1 38 LEU QD 1 40 ASP HA 1.800 . 5.000 4.555 3.688 5.026 0.026 19 0 "[ . 1 . 2]" 1
1216 1 39 LEU HA 1 40 ASP HA 1.800 . 6.000 4.554 4.525 4.581 . 0 0 "[ . 1 . 2]" 1
1217 1 39 LEU QD 1 40 ASP H 1.800 . 6.000 2.859 2.143 3.763 . 0 0 "[ . 1 . 2]" 1
1218 1 45 GLU HA 1 46 ILE MD 1.800 . 6.000 4.874 3.919 5.687 . 0 0 "[ . 1 . 2]" 1
1219 1 45 GLU HB3 1 46 ILE MD 1.800 . 6.000 4.812 3.518 5.887 . 0 0 "[ . 1 . 2]" 1
1220 1 45 GLU QG 1 46 ILE MD 1.800 . 6.000 3.734 1.938 6.029 0.029 5 0 "[ . 1 . 2]" 1
1221 1 68 THR MG 1 70 THR MG 1.800 . 6.000 5.801 5.373 6.053 0.053 14 0 "[ . 1 . 2]" 1
1222 1 69 PHE HB3 1 70 THR MG 1.800 . 6.000 3.588 2.554 4.950 . 0 0 "[ . 1 . 2]" 1
1223 1 71 ASP HA 1 72 PRO HA 1.800 . 6.000 4.427 4.404 4.653 . 0 0 "[ . 1 . 2]" 1
1224 1 75 ARG HA 1 76 ILE MD 1.800 . 6.000 3.904 3.031 5.450 . 0 0 "[ . 1 . 2]" 1
1225 1 75 ARG HB3 1 76 ILE MD 1.800 . 6.000 4.987 4.123 6.034 0.034 5 0 "[ . 1 . 2]" 1
1226 1 75 ARG HB2 1 76 ILE MD 1.800 . 6.000 5.154 4.384 6.023 0.023 7 0 "[ . 1 . 2]" 1
1227 1 31 GLN QG 1 78 GLU HA 1.800 . 5.000 4.567 4.090 5.033 0.033 15 0 "[ . 1 . 2]" 1
1228 1 31 GLN HA 1 79 GLN HA 1.800 . 3.000 2.092 1.945 2.247 . 0 0 "[ . 1 . 2]" 1
1229 1 31 GLN HB3 1 79 GLN HA 1.800 . 5.000 4.537 4.021 4.876 . 0 0 "[ . 1 . 2]" 1
1230 1 31 GLN HG3 1 79 GLN HA 1.800 . 5.000 2.859 2.205 4.169 . 0 0 "[ . 1 . 2]" 1
1231 1 29 VAL HA 1 81 TRP HA 1.800 . 6.000 4.181 3.318 4.894 . 0 0 "[ . 1 . 2]" 1
1232 1 85 PRO HA 1 86 LEU HA 1.800 . 5.000 4.514 4.466 4.553 . 0 0 "[ . 1 . 2]" 1
1233 1 85 PRO HA 1 104 ASP HA 1.800 . 3.000 2.067 1.920 2.302 . 0 0 "[ . 1 . 2]" 1
1234 1 91 PHE HA 1 92 LEU HA 1.800 . 6.000 4.474 4.433 4.512 . 0 0 "[ . 1 . 2]" 1
1235 1 92 LEU HA 1 93 LEU QD 1.800 . 6.000 4.162 2.794 5.591 . 0 0 "[ . 1 . 2]" 1
1236 1 101 ILE HA 1 102 PRO HA 1.800 . 6.000 4.500 4.462 4.554 . 0 0 "[ . 1 . 2]" 1
1237 1 87 ASP HA 1 102 PRO HA 1.800 . 3.000 2.123 1.923 2.560 . 0 0 "[ . 1 . 2]" 1
1238 1 87 ASP QB 1 102 PRO HA 1.800 . 5.000 3.380 2.283 4.000 . 0 0 "[ . 1 . 2]" 1
1239 1 105 LEU MD1 1 106 ASN QD 1.800 . 6.000 5.711 3.864 6.020 0.020 12 0 "[ . 1 . 2]" 1
1240 1 13 THR MG 1 105 LEU MD1 1.800 . 6.000 2.116 1.778 4.106 0.022 20 0 "[ . 1 . 2]" 1
1241 1 13 THR MG 1 105 LEU MD2 1.800 . 6.000 3.266 2.513 4.195 . 0 0 "[ . 1 . 2]" 1
1242 1 14 GLN QG 1 111 SER HA 1.800 . 6.000 2.852 2.149 4.618 . 0 0 "[ . 1 . 2]" 1
1243 1 14 GLN QB 1 111 SER HA 1.800 . 6.000 3.987 2.671 4.775 . 0 0 "[ . 1 . 2]" 1
1244 1 14 GLN QG 1 111 SER QB 1.800 . 6.000 3.904 3.268 5.998 . 0 0 "[ . 1 . 2]" 1
1245 1 14 GLN QB 1 111 SER QB 1.800 . 6.000 5.012 4.191 5.935 . 0 0 "[ . 1 . 2]" 1
1246 1 11 ILE MG 1 114 VAL MG2 1.800 . 6.000 4.822 3.518 5.707 . 0 0 "[ . 1 . 2]" 1
1247 1 11 ILE MG 1 114 VAL MG1 1.800 . 6.000 4.976 3.848 5.571 . 0 0 "[ . 1 . 2]" 1
1248 1 113 GLU HA 1 114 VAL HB 1.800 . 6.000 4.789 4.512 5.688 . 0 0 "[ . 1 . 2]" 1
1249 1 11 ILE HB 1 114 VAL MG2 1.800 . 6.000 5.139 4.146 6.066 0.066 16 0 "[ . 1 . 2]" 1
1250 1 101 ILE MG 1 114 VAL MG1 1.800 . 4.000 2.848 1.934 3.955 . 0 0 "[ . 1 . 2]" 1
1251 1 101 ILE MD 1 114 VAL MG1 1.800 . 4.000 2.761 1.835 3.935 . 0 0 "[ . 1 . 2]" 1
1252 1 101 ILE MG 1 114 VAL MG2 1.800 . 4.000 2.495 1.837 3.662 . 0 0 "[ . 1 . 2]" 1
1253 1 101 ILE MD 1 114 VAL MG2 1.800 . 4.000 3.054 2.487 3.943 . 0 0 "[ . 1 . 2]" 1
1254 1 86 LEU MD1 1 103 HIS QB 1.800 . 6.000 2.636 1.908 4.210 . 0 0 "[ . 1 . 2]" 1
1255 1 86 LEU MD2 1 103 HIS QB 1.800 . 6.000 2.630 1.915 3.471 . 0 0 "[ . 1 . 2]" 1
1256 1 86 LEU MD2 1 105 LEU HB2 1.800 . 6.000 2.859 1.796 4.240 0.004 20 0 "[ . 1 . 2]" 1
1257 1 86 LEU MD2 1 105 LEU QD 1.800 . 5.000 2.836 1.779 3.877 0.021 5 0 "[ . 1 . 2]" 1
1258 1 86 LEU MD1 1 105 LEU HB2 1.800 . 6.000 2.642 1.774 4.624 0.026 13 0 "[ . 1 . 2]" 1
1259 1 86 LEU MD1 1 105 LEU QD 1.800 . 5.000 2.905 1.872 4.152 . 0 0 "[ . 1 . 2]" 1
1260 1 13 THR MG 1 86 LEU MD2 1.800 . 5.000 2.323 1.776 3.246 0.024 11 0 "[ . 1 . 2]" 1
1261 1 86 LEU MD2 1 112 TYR HB3 1.800 . 6.000 5.394 4.727 6.001 0.001 1 0 "[ . 1 . 2]" 1
1262 1 86 LEU MD2 1 112 TYR HB2 1.800 . 6.000 5.488 4.783 6.001 0.001 8 0 "[ . 1 . 2]" 1
1263 1 13 THR MG 1 86 LEU MD1 1.800 . 5.000 2.630 1.801 3.615 . 0 0 "[ . 1 . 2]" 1
1264 1 59 HIS HA 1 60 PRO HG3 1.800 . 6.000 4.743 3.908 6.068 0.068 3 0 "[ . 1 . 2]" 1
1265 1 59 HIS HA 1 60 PRO HG2 1.800 . 6.000 5.046 4.405 6.067 0.067 14 0 "[ . 1 . 2]" 1
1266 1 59 HIS QB 1 60 PRO HG3 1.800 . 6.000 4.696 3.649 5.749 . 0 0 "[ . 1 . 2]" 1
1267 1 59 HIS QB 1 60 PRO HG2 1.800 . 6.000 4.794 3.983 5.967 . 0 0 "[ . 1 . 2]" 1
1268 1 117 VAL QG 1 118 ILE HA 1.800 . 6.000 3.513 3.178 3.985 . 0 0 "[ . 1 . 2]" 1
1269 1 97 GLY HA3 1 117 VAL QG 1.800 . 6.000 5.851 5.513 6.025 0.025 3 0 "[ . 1 . 2]" 1
1270 1 97 GLY HA2 1 117 VAL QG 1.800 . 6.000 5.847 5.478 6.053 0.053 11 0 "[ . 1 . 2]" 1
1271 1 14 GLN HA 1 111 SER QB 1.800 . 6.000 4.761 4.422 5.053 . 0 0 "[ . 1 . 2]" 1
1272 1 54 VAL QG 1 90 VAL HA 1.800 . 6.000 4.716 3.792 5.345 . 0 0 "[ . 1 . 2]" 1
1273 1 36 ILE MG 1 55 ILE MD 1.800 . 5.000 1.975 1.766 2.513 0.034 14 0 "[ . 1 . 2]" 1
1274 1 36 ILE MD 1 55 ILE MD 1.800 . 5.000 2.865 1.855 4.751 . 0 0 "[ . 1 . 2]" 1
1275 1 36 ILE MG 1 55 ILE MG 1.800 . 6.000 2.811 2.175 3.366 . 0 0 "[ . 1 . 2]" 1
1276 1 36 ILE MD 1 55 ILE MG 1.800 . 6.000 2.601 1.862 3.985 . 0 0 "[ . 1 . 2]" 1
1277 1 55 ILE MD 1 66 ASN HB3 1.800 . 5.000 2.691 1.914 4.142 . 0 0 "[ . 1 . 2]" 1
1278 1 55 ILE MD 1 66 ASN HB2 1.800 . 5.000 3.711 2.797 4.887 . 0 0 "[ . 1 . 2]" 1
1279 1 55 ILE MD 1 66 ASN HA 1.800 . 6.000 4.618 3.873 6.045 0.045 17 0 "[ . 1 . 2]" 1
1280 1 50 ILE HA 1 93 LEU QD 1.800 . 6.000 5.859 5.143 6.046 0.046 14 0 "[ . 1 . 2]" 1
1281 1 93 LEU QD 1 95 LYS QE 1.800 . 6.000 5.204 3.660 6.011 0.011 7 0 "[ . 1 . 2]" 1
1282 1 93 LEU QD 1 94 GLU HB3 1.800 . 6.000 4.492 2.652 5.966 . 0 0 "[ . 1 . 2]" 1
1283 1 51 PHE HB3 1 93 LEU HA 1.800 . 5.000 4.990 4.614 5.094 0.094 3 0 "[ . 1 . 2]" 1
1284 1 51 PHE HB3 1 93 LEU QD 1.800 . 6.000 4.370 2.954 6.003 0.003 14 0 "[ . 1 . 2]" 1
1285 1 51 PHE HB2 1 93 LEU QD 1.800 . 6.000 3.480 1.942 5.357 . 0 0 "[ . 1 . 2]" 1
1286 1 9 ILE MD 1 90 VAL MG2 1.800 . 5.000 2.268 1.810 2.980 . 0 0 "[ . 1 . 2]" 1
1287 1 90 VAL MG1 1 118 ILE MD 1.800 . 5.000 2.526 1.845 3.317 . 0 0 "[ . 1 . 2]" 1
1288 1 103 HIS QB 1 112 TYR HB3 1.800 . 6.000 3.823 2.927 4.795 . 0 0 "[ . 1 . 2]" 1
1289 1 103 HIS QB 1 112 TYR HB2 1.800 . 6.000 4.450 3.800 5.227 . 0 0 "[ . 1 . 2]" 1
1290 1 83 GLY HA3 1 106 ASN HA 1.800 . 4.000 3.242 2.386 3.736 . 0 0 "[ . 1 . 2]" 1
1291 1 83 GLY HA2 1 106 ASN HA 1.800 . 4.000 3.593 2.148 4.018 0.018 11 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 90
_Distance_constraint_stats_list.Viol_count 188
_Distance_constraint_stats_list.Viol_total 69.299
_Distance_constraint_stats_list.Viol_max 0.060
_Distance_constraint_stats_list.Viol_rms 0.0072
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0184
_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 5 VAL 0.048 0.027 12 0 "[ . 1 . 2]"
1 7 ARG 0.219 0.029 5 0 "[ . 1 . 2]"
1 9 ILE 0.041 0.023 16 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.079 0.020 12 0 "[ . 1 . 2]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLN 0.026 0.017 7 0 "[ . 1 . 2]"
1 15 GLN 1.212 0.060 7 0 "[ . 1 . 2]"
1 16 HIS 0.303 0.039 3 0 "[ . 1 . 2]"
1 30 ARG 0.051 0.016 16 0 "[ . 1 . 2]"
1 31 GLN 0.303 0.039 3 0 "[ . 1 . 2]"
1 32 TRP 0.049 0.025 13 0 "[ . 1 . 2]"
1 33 SER 0.026 0.017 7 0 "[ . 1 . 2]"
1 34 ILE 0.061 0.028 18 0 "[ . 1 . 2]"
1 35 GLU 0.079 0.020 12 0 "[ . 1 . 2]"
1 36 ILE 0.090 0.044 5 0 "[ . 1 . 2]"
1 37 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PHE 0.096 0.056 7 0 "[ . 1 . 2]"
1 52 ASP 0.114 0.026 13 0 "[ . 1 . 2]"
1 53 LYS 0.159 0.042 19 0 "[ . 1 . 2]"
1 54 VAL 0.011 0.008 9 0 "[ . 1 . 2]"
1 55 ILE 0.013 0.013 2 0 "[ . 1 . 2]"
1 56 TYR 0.063 0.022 7 0 "[ . 1 . 2]"
1 58 LEU 0.050 0.043 12 0 "[ . 1 . 2]"
1 66 ASN 0.013 0.013 2 0 "[ . 1 . 2]"
1 68 THR 0.159 0.042 19 0 "[ . 1 . 2]"
1 74 PHE 0.090 0.044 5 0 "[ . 1 . 2]"
1 76 ILE 0.061 0.028 18 0 "[ . 1 . 2]"
1 78 GLU 0.049 0.025 13 0 "[ . 1 . 2]"
1 80 GLY 0.051 0.016 16 0 "[ . 1 . 2]"
1 84 PHE 0.197 0.038 7 0 "[ . 1 . 2]"
1 85 PRO 0.050 0.043 12 0 "[ . 1 . 2]"
1 86 LEU 0.246 0.036 4 0 "[ . 1 . 2]"
1 87 ASP 0.063 0.022 7 0 "[ . 1 . 2]"
1 88 ILE 0.207 0.032 18 0 "[ . 1 . 2]"
1 89 SER 0.011 0.008 9 0 "[ . 1 . 2]"
1 90 VAL 0.129 0.032 2 0 "[ . 1 . 2]"
1 91 PHE 0.114 0.026 13 0 "[ . 1 . 2]"
1 92 LEU 0.096 0.056 7 0 "[ . 1 . 2]"
1 99 ARG 0.129 0.032 2 0 "[ . 1 . 2]"
1 101 ILE 0.207 0.032 18 0 "[ . 1 . 2]"
1 103 HIS 0.246 0.036 4 0 "[ . 1 . 2]"
1 105 LEU 0.197 0.038 7 0 "[ . 1 . 2]"
1 110 GLU 1.212 0.060 7 0 "[ . 1 . 2]"
1 112 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 HIS 0.041 0.023 16 0 "[ . 1 . 2]"
1 118 ILE 0.219 0.029 5 0 "[ . 1 . 2]"
1 120 ILE 0.048 0.027 12 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 88 ILE O 1 101 ILE H 2.000 . 3.200 1.915 1.775 2.133 0.025 7 0 "[ . 1 . 2]" 2
2 1 88 ILE O 1 101 ILE N 2.000 . 3.200 2.835 2.686 3.033 . 0 0 "[ . 1 . 2]" 2
3 1 88 ILE H 1 101 ILE O 2.000 . 3.200 2.287 2.163 2.403 . 0 0 "[ . 1 . 2]" 2
4 1 88 ILE N 1 101 ILE O 2.000 . 3.200 3.194 3.102 3.232 0.032 18 0 "[ . 1 . 2]" 2
5 1 86 LEU O 1 103 HIS H 2.000 . 3.200 2.010 1.788 2.277 0.012 18 0 "[ . 1 . 2]" 2
6 1 86 LEU O 1 103 HIS N 2.000 . 3.200 2.891 2.599 3.122 . 0 0 "[ . 1 . 2]" 2
7 1 86 LEU H 1 103 HIS O 2.000 . 3.200 1.813 1.764 1.970 0.036 4 0 "[ . 1 . 2]" 2
8 1 86 LEU N 1 103 HIS O 2.000 . 3.200 2.672 2.572 2.778 . 0 0 "[ . 1 . 2]" 2
9 1 84 PHE O 1 105 LEU H 2.000 . 3.200 2.465 2.240 2.778 . 0 0 "[ . 1 . 2]" 2
10 1 84 PHE O 1 105 LEU N 2.000 . 3.200 3.173 2.957 3.238 0.038 7 0 "[ . 1 . 2]" 2
11 1 84 PHE H 1 105 LEU O 2.000 . 3.200 2.628 2.308 3.021 . 0 0 "[ . 1 . 2]" 2
12 1 84 PHE N 1 105 LEU O 2.000 . 3.200 2.924 2.706 3.195 . 0 0 "[ . 1 . 2]" 2
13 1 90 VAL O 1 99 ARG H 2.000 . 3.200 2.581 2.245 2.992 . 0 0 "[ . 1 . 2]" 2
14 1 90 VAL O 1 99 ARG N 2.000 . 3.200 3.173 3.014 3.232 0.032 2 0 "[ . 1 . 2]" 2
15 1 90 VAL H 1 99 ARG O 2.000 . 3.200 2.059 1.800 2.402 . 0 0 "[ . 1 . 2]" 2
16 1 90 VAL N 1 99 ARG O 2.000 . 3.200 2.955 2.750 3.163 . 0 0 "[ . 1 . 2]" 2
17 1 56 TYR O 1 87 ASP H 2.000 . 3.200 2.035 1.781 2.382 0.019 6 0 "[ . 1 . 2]" 2
18 1 56 TYR O 1 87 ASP N 2.000 . 3.200 2.888 2.621 3.187 . 0 0 "[ . 1 . 2]" 2
19 1 54 VAL O 1 89 SER H 2.000 . 3.200 1.948 1.792 2.098 0.008 9 0 "[ . 1 . 2]" 2
20 1 54 VAL O 1 89 SER N 2.000 . 3.200 2.897 2.698 3.068 . 0 0 "[ . 1 . 2]" 2
21 1 54 VAL H 1 89 SER O 2.000 . 3.200 2.025 1.797 2.407 0.003 17 0 "[ . 1 . 2]" 2
22 1 54 VAL N 1 89 SER O 2.000 . 3.200 2.893 2.741 3.158 . 0 0 "[ . 1 . 2]" 2
23 1 55 ILE H 1 66 ASN O 2.000 . 3.200 1.967 1.802 2.272 . 0 0 "[ . 1 . 2]" 2
24 1 55 ILE N 1 66 ASN O 2.000 . 3.200 2.847 2.730 3.048 . 0 0 "[ . 1 . 2]" 2
25 1 55 ILE O 1 66 ASN H 2.000 . 3.200 2.300 1.927 2.469 . 0 0 "[ . 1 . 2]" 2
26 1 55 ILE O 1 66 ASN N 2.000 . 3.200 3.079 2.724 3.213 0.013 2 0 "[ . 1 . 2]" 2
27 1 58 LEU H 1 85 PRO O 2.000 . 3.200 1.971 1.757 2.311 0.043 12 0 "[ . 1 . 2]" 2
28 1 58 LEU N 1 85 PRO O 2.000 . 3.200 2.756 2.607 3.109 . 0 0 "[ . 1 . 2]" 2
29 1 16 HIS H 1 31 GLN O 2.000 . 3.200 2.095 1.778 2.354 0.022 15 0 "[ . 1 . 2]" 2
30 1 16 HIS N 1 31 GLN O 2.000 . 3.200 2.989 2.606 3.229 0.029 4 0 "[ . 1 . 2]" 2
31 1 15 GLN H 1 110 GLU O 2.000 . 3.200 2.356 2.317 2.404 . 0 0 "[ . 1 . 2]" 2
32 1 15 GLN N 1 110 GLU O 2.000 . 3.200 3.241 3.216 3.260 0.060 7 0 "[ . 1 . 2]" 2
33 1 14 GLN H 1 33 SER O 2.000 . 3.200 2.090 1.919 2.228 . 0 0 "[ . 1 . 2]" 2
34 1 14 GLN N 1 33 SER O 2.000 . 3.200 3.013 2.878 3.159 . 0 0 "[ . 1 . 2]" 2
35 1 13 THR H 1 112 TYR O 2.000 . 3.200 2.075 1.823 2.445 . 0 0 "[ . 1 . 2]" 2
36 1 13 THR N 1 112 TYR O 2.000 . 3.200 2.815 2.633 3.080 . 0 0 "[ . 1 . 2]" 2
37 1 12 LYS H 1 35 GLU O 2.000 . 3.200 2.241 2.050 2.343 . 0 0 "[ . 1 . 2]" 2
38 1 12 LYS N 1 35 GLU O 2.000 . 3.200 3.148 2.988 3.220 0.020 12 0 "[ . 1 . 2]" 2
39 1 11 ILE H 1 114 VAL O 2.000 . 3.200 2.067 1.884 2.252 . 0 0 "[ . 1 . 2]" 2
40 1 11 ILE N 1 114 VAL O 2.000 . 3.200 3.002 2.832 3.125 . 0 0 "[ . 1 . 2]" 2
41 1 10 ARG H 1 37 VAL O 2.000 . 3.200 2.065 1.801 2.258 . 0 0 "[ . 1 . 2]" 2
42 1 10 ARG N 1 37 VAL O 2.000 . 3.200 2.997 2.722 3.171 . 0 0 "[ . 1 . 2]" 2
43 1 9 ILE H 1 116 HIS O 2.000 . 3.200 1.866 1.777 2.032 0.023 16 0 "[ . 1 . 2]" 2
44 1 9 ILE N 1 116 HIS O 2.000 . 3.200 2.747 2.665 2.847 . 0 0 "[ . 1 . 2]" 2
45 1 7 ARG H 1 118 ILE O 2.000 . 3.200 1.820 1.777 1.952 0.023 12 0 "[ . 1 . 2]" 2
46 1 7 ARG N 1 118 ILE O 2.000 . 3.200 2.738 2.635 2.812 . 0 0 "[ . 1 . 2]" 2
47 1 16 HIS O 1 31 GLN H 2.000 . 3.200 1.806 1.761 1.937 0.039 3 0 "[ . 1 . 2]" 2
48 1 16 HIS O 1 31 GLN N 2.000 . 3.200 2.629 2.554 2.791 . 0 0 "[ . 1 . 2]" 2
49 1 32 TRP H 1 78 GLU O 2.000 . 3.200 2.090 1.942 2.267 . 0 0 "[ . 1 . 2]" 2
50 1 32 TRP N 1 78 GLU O 2.000 . 3.200 2.982 2.810 3.163 . 0 0 "[ . 1 . 2]" 2
51 1 14 GLN O 1 33 SER H 2.000 . 3.200 1.970 1.783 2.343 0.017 7 0 "[ . 1 . 2]" 2
52 1 14 GLN O 1 33 SER N 2.000 . 3.200 2.788 2.652 3.006 . 0 0 "[ . 1 . 2]" 2
53 1 34 ILE H 1 76 ILE O 2.000 . 3.200 2.038 1.817 2.275 . 0 0 "[ . 1 . 2]" 2
54 1 34 ILE N 1 76 ILE O 2.000 . 3.200 2.993 2.766 3.212 0.012 16 0 "[ . 1 . 2]" 2
55 1 12 LYS O 1 35 GLU H 2.000 . 3.200 2.316 2.223 2.426 . 0 0 "[ . 1 . 2]" 2
56 1 12 LYS O 1 35 GLU N 2.000 . 3.200 3.174 3.106 3.213 0.013 3 0 "[ . 1 . 2]" 2
57 1 36 ILE H 1 74 PHE O 2.000 . 3.200 2.069 1.756 2.471 0.044 5 0 "[ . 1 . 2]" 2
58 1 36 ILE N 1 74 PHE O 2.000 . 3.200 2.910 2.671 3.238 0.038 12 0 "[ . 1 . 2]" 2
59 1 10 ARG O 1 37 VAL H 2.000 . 3.200 2.209 2.066 2.405 . 0 0 "[ . 1 . 2]" 2
60 1 10 ARG O 1 37 VAL N 2.000 . 3.200 3.116 2.969 3.194 . 0 0 "[ . 1 . 2]" 2
61 1 32 TRP O 1 78 GLU H 2.000 . 3.200 2.133 1.775 2.508 0.025 13 0 "[ . 1 . 2]" 2
62 1 32 TRP O 1 78 GLU N 2.000 . 3.200 2.951 2.719 3.116 . 0 0 "[ . 1 . 2]" 2
63 1 34 ILE O 1 76 ILE H 2.000 . 3.200 1.983 1.772 2.283 0.028 18 0 "[ . 1 . 2]" 2
64 1 34 ILE O 1 76 ILE N 2.000 . 3.200 2.880 2.619 3.187 . 0 0 "[ . 1 . 2]" 2
65 1 56 TYR H 1 87 ASP O 2.000 . 3.200 1.975 1.778 2.335 0.022 7 0 "[ . 1 . 2]" 2
66 1 56 TYR N 1 87 ASP O 2.000 . 3.200 2.663 2.595 2.815 . 0 0 "[ . 1 . 2]" 2
67 1 11 ILE O 1 114 VAL H 2.000 . 3.200 2.198 1.926 2.429 . 0 0 "[ . 1 . 2]" 2
68 1 11 ILE O 1 114 VAL N 2.000 . 3.200 3.025 2.844 3.199 . 0 0 "[ . 1 . 2]" 2
69 1 9 ILE O 1 116 HIS H 2.000 . 3.200 1.893 1.792 1.997 0.008 16 0 "[ . 1 . 2]" 2
70 1 9 ILE O 1 116 HIS N 2.000 . 3.200 2.853 2.715 2.971 . 0 0 "[ . 1 . 2]" 2
71 1 7 ARG O 1 118 ILE H 2.000 . 3.200 1.878 1.771 2.041 0.029 5 0 "[ . 1 . 2]" 2
72 1 7 ARG O 1 118 ILE N 2.000 . 3.200 2.796 2.654 2.992 . 0 0 "[ . 1 . 2]" 2
73 1 5 VAL O 1 120 ILE H 2.000 . 3.200 2.243 1.996 2.398 . 0 0 "[ . 1 . 2]" 2
74 1 5 VAL O 1 120 ILE N 2.000 . 3.200 3.154 2.930 3.227 0.027 12 0 "[ . 1 . 2]" 2
75 1 13 THR O 1 112 TYR H 2.000 . 3.200 2.126 1.877 2.302 . 0 0 "[ . 1 . 2]" 2
76 1 13 THR O 1 112 TYR N 2.000 . 3.200 2.992 2.711 3.195 . 0 0 "[ . 1 . 2]" 2
77 1 15 GLN O 1 110 GLU H 2.000 . 3.200 1.807 1.749 2.246 0.051 4 0 "[ . 1 . 2]" 2
78 1 15 GLN O 1 110 GLU N 2.000 . 3.200 2.713 2.617 2.882 . 0 0 "[ . 1 . 2]" 2
79 1 30 ARG H 1 80 GLY O 2.000 . 3.200 2.049 1.795 2.411 0.005 16 0 "[ . 1 . 2]" 2
80 1 30 ARG N 1 80 GLY O 2.000 . 3.200 2.935 2.619 3.208 0.008 6 0 "[ . 1 . 2]" 2
81 1 30 ARG O 1 80 GLY H 2.000 . 3.200 1.966 1.784 2.268 0.016 16 0 "[ . 1 . 2]" 2
82 1 30 ARG O 1 80 GLY N 2.000 . 3.200 2.739 2.610 2.884 . 0 0 "[ . 1 . 2]" 2
83 1 51 PHE H 1 92 LEU O 2.000 . 3.200 2.509 2.062 2.887 . 0 0 "[ . 1 . 2]" 2
84 1 51 PHE N 1 92 LEU O 2.000 . 3.200 3.044 2.753 3.256 0.056 7 0 "[ . 1 . 2]" 2
85 1 52 ASP O 1 91 PHE H 2.000 . 3.200 2.597 1.810 2.880 . 0 0 "[ . 1 . 2]" 2
86 1 52 ASP O 1 91 PHE N 2.000 . 3.200 3.077 2.567 3.220 0.020 3 0 "[ . 1 . 2]" 2
87 1 52 ASP H 1 91 PHE O 2.000 . 3.200 2.334 2.118 2.494 . 0 0 "[ . 1 . 2]" 2
88 1 52 ASP N 1 91 PHE O 2.000 . 3.200 3.153 2.957 3.226 0.026 13 0 "[ . 1 . 2]" 2
89 1 53 LYS H 1 68 THR O 2.000 . 3.200 2.309 2.033 2.425 . 0 0 "[ . 1 . 2]" 2
90 1 53 LYS N 1 68 THR O 2.000 . 3.200 3.175 2.868 3.242 0.042 19 0 "[ . 1 . 2]" 2
stop_
save_
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