NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409397 |
1zg2   |
6717 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1zg2
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 1042
_Distance_constraint_stats_list.Viol_count 530
_Distance_constraint_stats_list.Viol_total 305.124
_Distance_constraint_stats_list.Viol_max 0.292
_Distance_constraint_stats_list.Viol_rms 0.0168
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0576
_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 6 MET 0.018 0.018 3 0 "[ . 1]"
1 7 ASN 0.420 0.106 4 0 "[ . 1]"
1 8 HIS 0.422 0.104 2 0 "[ . 1]"
1 9 TYR 0.188 0.071 8 0 "[ . 1]"
1 10 VAL 3.242 0.265 5 0 "[ . 1]"
1 11 TYR 0.797 0.125 10 0 "[ . 1]"
1 12 ILE 2.479 0.143 9 0 "[ . 1]"
1 13 LEU 1.709 0.154 3 0 "[ . 1]"
1 14 GLU 0.561 0.136 3 0 "[ . 1]"
1 15 CYS 0.131 0.063 4 0 "[ . 1]"
1 16 LYS 0.305 0.090 6 0 "[ . 1]"
1 17 ASP 0.000 0.000 . 0 "[ . 1]"
1 18 GLY 0.122 0.063 4 0 "[ . 1]"
1 19 SER 0.025 0.025 6 0 "[ . 1]"
1 20 TRP 1.646 0.169 2 0 "[ . 1]"
1 21 TYR 0.922 0.115 9 0 "[ . 1]"
1 22 THR 0.534 0.076 5 0 "[ . 1]"
1 23 GLY 0.000 0.000 . 0 "[ . 1]"
1 24 TYR 0.481 0.091 9 0 "[ . 1]"
1 25 THR 0.410 0.114 8 0 "[ . 1]"
1 26 THR 0.134 0.104 2 0 "[ . 1]"
1 27 ASP 0.522 0.106 4 0 "[ . 1]"
1 28 VAL 0.311 0.118 7 0 "[ . 1]"
1 29 ASP 0.414 0.102 3 0 "[ . 1]"
1 30 ARG 0.981 0.292 6 0 "[ . 1]"
1 31 ARG 0.706 0.292 6 0 "[ . 1]"
1 32 ILE 0.327 0.118 7 0 "[ . 1]"
1 33 LYS 0.157 0.061 10 0 "[ . 1]"
1 34 LYS 0.135 0.099 5 0 "[ . 1]"
1 35 HIS 0.000 0.000 . 0 "[ . 1]"
1 36 ALA 0.000 0.000 . 0 "[ . 1]"
1 37 SER 1.197 0.189 7 0 "[ . 1]"
1 38 GLY 0.918 0.189 7 0 "[ . 1]"
1 39 LYS 0.000 0.000 . 0 "[ . 1]"
1 40 GLY 0.000 0.000 . 0 "[ . 1]"
1 41 ALA 0.013 0.013 7 0 "[ . 1]"
1 42 LYS 0.000 0.000 . 0 "[ . 1]"
1 43 TYR 0.275 0.161 6 0 "[ . 1]"
1 44 THR 0.275 0.161 6 0 "[ . 1]"
1 45 ARG 0.000 0.000 . 0 "[ . 1]"
1 46 GLY 0.000 0.000 . 0 "[ . 1]"
1 47 ARG 0.146 0.134 7 0 "[ . 1]"
1 48 GLY 0.165 0.134 7 0 "[ . 1]"
1 49 PRO 0.324 0.090 6 0 "[ . 1]"
1 50 PHE 0.139 0.056 3 0 "[ . 1]"
1 51 ARG 0.290 0.154 3 0 "[ . 1]"
1 52 LEU 0.239 0.076 9 0 "[ . 1]"
1 53 VAL 1.037 0.169 2 0 "[ . 1]"
1 54 ALA 1.089 0.107 4 0 "[ . 1]"
1 55 THR 0.649 0.107 4 0 "[ . 1]"
1 56 TRP 0.259 0.143 9 0 "[ . 1]"
1 57 ALA 0.071 0.071 9 0 "[ . 1]"
1 58 PHE 0.652 0.090 7 0 "[ . 1]"
1 59 PRO 0.025 0.016 2 0 "[ . 1]"
1 60 SER 1.154 0.090 7 0 "[ . 1]"
1 61 LYS 0.343 0.086 9 0 "[ . 1]"
1 62 GLU 0.714 0.099 1 0 "[ . 1]"
1 63 GLU 0.540 0.071 2 0 "[ . 1]"
1 64 ALA 0.260 0.078 1 0 "[ . 1]"
1 65 MET 0.343 0.086 9 0 "[ . 1]"
1 66 ARG 0.177 0.097 8 0 "[ . 1]"
1 67 TRP 2.916 0.265 5 0 "[ . 1]"
1 68 GLU 2.807 0.239 4 0 "[ . 1]"
1 69 TYR 1.685 0.227 5 0 "[ . 1]"
1 70 GLU 0.147 0.086 1 0 "[ . 1]"
1 71 VAL 0.839 0.149 6 0 "[ . 1]"
1 72 LYS 0.387 0.105 9 0 "[ . 1]"
1 73 HIS 0.276 0.091 9 0 "[ . 1]"
1 74 LEU 2.421 0.291 7 0 "[ . 1]"
1 75 SER 0.811 0.156 7 0 "[ . 1]"
1 76 ARG 0.407 0.118 6 0 "[ . 1]"
1 77 ARG 0.688 0.156 7 0 "[ . 1]"
1 78 LYS 1.362 0.132 7 0 "[ . 1]"
1 79 LYS 0.806 0.291 7 0 "[ . 1]"
1 80 GLU 0.408 0.110 3 0 "[ . 1]"
1 81 GLN 0.547 0.107 10 0 "[ . 1]"
1 82 LEU 2.608 0.180 7 0 "[ . 1]"
1 83 VAL 1.324 0.211 10 0 "[ . 1]"
1 84 SER 0.026 0.026 2 0 "[ . 1]"
1 85 LEU 0.032 0.032 9 0 "[ . 1]"
1 86 LYS 1.579 0.211 10 0 "[ . 1]"
1 87 GLY 0.000 0.000 . 0 "[ . 1]"
1 88 GLY 0.660 0.113 2 0 "[ . 1]"
1 89 PRO 0.305 0.104 3 0 "[ . 1]"
1 90 TYR 0.824 0.168 10 0 "[ . 1]"
1 91 GLU 1.038 0.235 2 0 "[ . 1]"
1 92 ASN 0.357 0.235 2 0 "[ . 1]"
1 93 THR 0.412 0.115 7 0 "[ . 1]"
1 94 THR 0.000 0.000 . 0 "[ . 1]"
1 95 LYS 1.696 0.205 9 0 "[ . 1]"
1 96 LEU 1.333 0.205 9 0 "[ . 1]"
1 97 SER 0.956 0.137 2 0 "[ . 1]"
1 98 THR 0.528 0.137 2 0 "[ . 1]"
1 99 THR 0.139 0.067 2 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 MET HB2 1 7 ASN H 4.000 . 5.000 3.634 2.786 4.574 . 0 0 "[ . 1]" 1
2 1 6 MET HB3 1 7 ASN H 4.000 . 5.000 3.147 1.810 4.079 . 0 0 "[ . 1]" 1
3 1 6 MET QB 1 26 THR MG 4.000 . 5.000 2.426 1.782 3.987 0.018 3 0 "[ . 1]" 1
4 1 6 MET H 1 6 MET HA 3.000 . 3.500 2.651 2.239 2.939 . 0 0 "[ . 1]" 1
5 1 6 MET H 1 6 MET HG2 4.000 . 5.000 3.608 1.943 4.727 . 0 0 "[ . 1]" 1
6 1 6 MET H 1 6 MET HG3 4.000 . 5.000 3.554 2.580 4.822 . 0 0 "[ . 1]" 1
7 1 6 MET H 1 7 ASN H 4.000 . 5.000 4.253 3.833 4.586 . 0 0 "[ . 1]" 1
8 1 6 MET HA 1 6 MET HG2 4.000 . 5.000 2.995 2.281 3.657 . 0 0 "[ . 1]" 1
9 1 6 MET HA 1 6 MET HG3 4.000 . 5.000 3.227 2.432 4.064 . 0 0 "[ . 1]" 1
10 1 6 MET HA 1 6 MET ME 4.000 . 5.000 3.986 2.844 4.644 . 0 0 "[ . 1]" 1
11 1 6 MET HA 1 7 ASN H 3.000 . 3.500 2.387 2.121 2.820 . 0 0 "[ . 1]" 1
12 1 6 MET ME 1 26 THR MG 4.000 . 5.000 4.119 3.097 4.751 . 0 0 "[ . 1]" 1
13 1 7 ASN H 1 7 ASN HA 3.000 . 3.500 2.901 2.844 2.948 . 0 0 "[ . 1]" 1
14 1 7 ASN H 1 7 ASN HB2 4.000 . 5.000 2.819 2.215 3.656 . 0 0 "[ . 1]" 1
15 1 7 ASN H 1 7 ASN HB3 4.000 . 5.000 3.434 2.884 3.732 . 0 0 "[ . 1]" 1
16 1 7 ASN H 1 7 ASN HD22 4.000 . 5.000 3.995 3.094 4.825 . 0 0 "[ . 1]" 1
17 1 7 ASN H 1 8 HIS H 4.000 . 5.000 4.395 3.993 4.598 . 0 0 "[ . 1]" 1
18 1 7 ASN H 1 27 ASP H 4.000 . 5.000 4.772 3.382 5.106 0.106 4 0 "[ . 1]" 1
19 1 7 ASN HA 1 8 HIS H 4.000 . 5.000 2.189 2.118 2.336 . 0 0 "[ . 1]" 1
20 1 7 ASN HB2 1 7 ASN HD22 4.000 . 5.000 3.716 3.471 4.062 . 0 0 "[ . 1]" 1
21 1 7 ASN HB3 1 7 ASN HD22 4.000 . 5.000 3.830 3.487 4.068 . 0 0 "[ . 1]" 1
22 1 7 ASN HB2 1 8 HIS H 4.000 . 5.000 4.022 3.361 4.407 . 0 0 "[ . 1]" 1
23 1 7 ASN HB3 1 8 HIS H 4.000 . 5.000 3.581 2.656 4.466 . 0 0 "[ . 1]" 1
24 1 7 ASN HB2 1 9 TYR QE 4.000 . 5.000 2.837 2.050 3.564 . 0 0 "[ . 1]" 1
25 1 7 ASN HB3 1 9 TYR QE 4.000 . 5.000 3.054 1.813 4.457 . 0 0 "[ . 1]" 1
26 1 8 HIS H 1 26 THR MG 4.000 . 5.000 4.333 3.190 5.104 0.104 2 0 "[ . 1]" 1
27 1 8 HIS H 1 58 PHE H 4.000 . 5.000 3.603 3.159 4.029 . 0 0 "[ . 1]" 1
28 1 8 HIS HA 1 9 TYR H 3.000 . 3.500 2.160 2.131 2.185 . 0 0 "[ . 1]" 1
29 1 8 HIS HA 1 26 THR HA 4.000 . 5.000 2.801 2.251 3.702 . 0 0 "[ . 1]" 1
30 1 8 HIS QB 1 9 TYR H 4.000 . 5.000 3.490 3.167 3.697 . 0 0 "[ . 1]" 1
31 1 8 HIS QB 1 24 TYR QE 4.000 . 5.000 2.826 1.709 5.029 0.091 9 0 "[ . 1]" 1
32 1 8 HIS QB 1 58 PHE H 4.000 . 5.000 2.933 2.551 3.512 . 0 0 "[ . 1]" 1
33 1 8 HIS QB 1 60 SER H 4.000 . 5.000 4.534 4.173 4.851 . 0 0 "[ . 1]" 1
34 1 8 HIS QB 1 64 ALA MB 4.000 . 5.000 2.222 1.927 2.945 . 0 0 "[ . 1]" 1
35 1 8 HIS HE1 1 64 ALA MB 4.000 . 5.000 4.436 3.884 5.076 0.076 3 0 "[ . 1]" 1
36 1 9 TYR H 1 9 TYR HB2 4.000 . 5.000 2.554 2.288 2.720 . 0 0 "[ . 1]" 1
37 1 9 TYR H 1 9 TYR HB3 4.000 . 5.000 3.692 3.546 3.754 . 0 0 "[ . 1]" 1
38 1 9 TYR H 1 9 TYR QD 4.000 . 5.000 2.908 2.630 3.256 . 0 0 "[ . 1]" 1
39 1 9 TYR H 1 9 TYR QE 4.000 . 5.000 4.773 4.286 5.033 0.033 8 0 "[ . 1]" 1
40 1 9 TYR H 1 10 VAL H 4.000 . 5.000 4.371 4.184 4.540 . 0 0 "[ . 1]" 1
41 1 9 TYR H 1 10 VAL MG2 4.000 . 5.000 4.653 4.241 4.801 . 0 0 "[ . 1]" 1
42 1 9 TYR H 1 25 THR H 3.000 . 3.500 3.329 3.090 3.441 . 0 0 "[ . 1]" 1
43 1 9 TYR H 1 25 THR MG 4.000 . 5.000 3.338 2.583 4.453 . 0 0 "[ . 1]" 1
44 1 9 TYR H 1 26 THR HA 4.000 . 5.000 3.476 3.005 4.221 . 0 0 "[ . 1]" 1
45 1 9 TYR HA 1 9 TYR QD 4.000 . 5.000 2.802 2.508 3.065 . 0 0 "[ . 1]" 1
46 1 9 TYR HA 1 10 VAL H 3.000 . 3.500 2.166 2.127 2.221 . 0 0 "[ . 1]" 1
47 1 9 TYR HA 1 10 VAL MG2 4.000 . 5.000 3.662 3.408 3.880 . 0 0 "[ . 1]" 1
48 1 9 TYR HA 1 55 THR MG 4.000 . 5.000 3.942 3.372 4.996 . 0 0 "[ . 1]" 1
49 1 9 TYR HA 1 57 ALA HA 4.000 . 5.000 2.406 2.162 2.659 . 0 0 "[ . 1]" 1
50 1 9 TYR HA 1 58 PHE H 4.000 . 5.000 3.638 3.140 4.166 . 0 0 "[ . 1]" 1
51 1 9 TYR QB 1 9 TYR QE 4.000 . 5.000 3.932 3.919 3.942 . 0 0 "[ . 1]" 1
52 1 9 TYR HB2 1 10 VAL H 4.000 . 5.000 4.185 3.771 4.517 . 0 0 "[ . 1]" 1
53 1 9 TYR HB3 1 10 VAL H 4.000 . 5.000 3.335 2.962 3.730 . 0 0 "[ . 1]" 1
54 1 9 TYR QB 1 25 THR H 4.000 . 5.000 3.478 3.174 3.750 . 0 0 "[ . 1]" 1
55 1 9 TYR QB 1 25 THR MG 4.000 . 5.000 2.567 1.788 3.905 0.012 4 0 "[ . 1]" 1
56 1 9 TYR QD 1 25 THR MG 4.000 . 5.000 2.727 1.749 3.637 0.051 2 0 "[ . 1]" 1
57 1 9 TYR QD 1 55 THR MG 4.000 . 5.000 3.043 2.048 4.288 . 0 0 "[ . 1]" 1
58 1 9 TYR QD 1 57 ALA MB 4.000 . 5.000 2.474 1.842 3.478 . 0 0 "[ . 1]" 1
59 1 9 TYR QE 1 25 THR MG 4.000 . 5.000 4.350 3.384 5.071 0.071 8 0 "[ . 1]" 1
60 1 9 TYR QE 1 57 ALA MB 4.000 . 5.000 2.803 2.151 3.282 . 0 0 "[ . 1]" 1
61 1 10 VAL H 1 10 VAL HB 4.000 . 5.000 2.708 2.619 2.827 . 0 0 "[ . 1]" 1
62 1 10 VAL H 1 10 VAL MG1 4.000 . 5.000 3.861 3.808 3.933 . 0 0 "[ . 1]" 1
63 1 10 VAL H 1 10 VAL MG2 4.000 . 5.000 2.399 2.154 2.642 . 0 0 "[ . 1]" 1
64 1 10 VAL H 1 11 TYR H 4.000 . 5.000 4.189 3.923 4.386 . 0 0 "[ . 1]" 1
65 1 10 VAL H 1 56 TRP H 4.000 . 5.000 3.045 2.782 3.231 . 0 0 "[ . 1]" 1
66 1 10 VAL H 1 56 TRP QB 4.000 . 5.000 3.449 2.974 4.848 . 0 0 "[ . 1]" 1
67 1 10 VAL H 1 57 ALA HA 4.000 . 5.000 3.331 2.713 3.659 . 0 0 "[ . 1]" 1
68 1 10 VAL H 1 58 PHE QE 4.000 . 5.000 4.541 4.105 4.934 . 0 0 "[ . 1]" 1
69 1 10 VAL HA 1 11 TYR H 3.000 . 3.500 2.182 2.148 2.213 . 0 0 "[ . 1]" 1
70 1 10 VAL HA 1 11 TYR QD 4.000 . 5.000 3.870 3.545 4.074 . 0 0 "[ . 1]" 1
71 1 10 VAL HA 1 24 TYR HA 4.000 . 5.000 2.712 1.833 3.565 . 0 0 "[ . 1]" 1
72 1 10 VAL HA 1 25 THR H 4.000 . 5.000 3.637 3.134 4.141 . 0 0 "[ . 1]" 1
73 1 10 VAL HB 1 56 TRP H 4.000 . 5.000 2.943 2.677 3.449 . 0 0 "[ . 1]" 1
74 1 10 VAL HB 1 67 TRP HH2 4.000 . 5.000 4.922 4.560 5.119 0.119 9 0 "[ . 1]" 1
75 1 10 VAL HB 1 56 TRP HE3 4.000 . 5.000 2.598 1.978 4.774 . 0 0 "[ . 1]" 1
76 1 10 VAL MG1 1 11 TYR H 4.000 . 5.000 3.104 2.915 3.330 . 0 0 "[ . 1]" 1
77 1 10 VAL MG2 1 11 TYR H 4.000 . 5.000 4.304 4.251 4.362 . 0 0 "[ . 1]" 1
78 1 10 VAL MG1 1 22 THR MG 4.000 . 5.000 2.411 2.191 2.773 . 0 0 "[ . 1]" 1
79 1 10 VAL MG1 1 23 GLY H 4.000 . 5.000 3.774 3.113 4.441 . 0 0 "[ . 1]" 1
80 1 10 VAL MG2 1 24 TYR HA 4.000 . 5.000 3.602 2.908 4.198 . 0 0 "[ . 1]" 1
81 1 10 VAL MG2 1 24 TYR QB 4.000 . 5.000 3.564 1.712 4.974 0.088 7 0 "[ . 1]" 1
82 1 10 VAL MG2 1 24 TYR QD 4.000 . 5.000 2.929 2.036 4.240 . 0 0 "[ . 1]" 1
83 1 10 VAL MG2 1 25 THR H 4.000 . 5.000 4.505 3.796 4.911 . 0 0 "[ . 1]" 1
84 1 10 VAL MG2 1 56 TRP QB 4.000 . 5.000 3.182 2.772 5.051 0.051 9 0 "[ . 1]" 1
85 1 10 VAL MG1 1 67 TRP HH2 4.000 . 5.000 3.880 3.287 4.294 . 0 0 "[ . 1]" 1
86 1 10 VAL MG2 1 67 TRP HH2 4.000 . 5.000 5.109 5.029 5.265 0.265 5 0 "[ . 1]" 1
87 1 10 VAL MG2 1 58 PHE H 4.000 . 5.000 4.147 3.833 4.599 . 0 0 "[ . 1]" 1
88 1 10 VAL MG2 1 58 PHE QD 4.000 . 5.000 2.492 2.242 2.749 . 0 0 "[ . 1]" 1
89 1 10 VAL MG2 1 58 PHE QE 4.000 . 5.000 2.365 2.082 3.005 . 0 0 "[ . 1]" 1
90 1 10 VAL MG2 1 64 ALA HA 4.000 . 5.000 3.558 2.967 4.124 . 0 0 "[ . 1]" 1
91 1 10 VAL MG2 1 67 TRP HB2 4.000 . 5.000 4.244 3.245 5.176 0.176 4 0 "[ . 1]" 1
92 1 10 VAL MG2 1 67 TRP HB3 4.000 . 5.000 3.293 2.188 4.666 . 0 0 "[ . 1]" 1
93 1 10 VAL MG2 1 67 TRP HD1 4.000 . 5.000 4.287 2.598 5.124 0.124 6 0 "[ . 1]" 1
94 1 10 VAL MG1 1 56 TRP HZ3 4.000 . 5.000 3.443 2.903 4.568 . 0 0 "[ . 1]" 1
95 1 10 VAL MG1 1 56 TRP HE3 4.000 . 5.000 2.924 2.398 5.035 0.035 9 0 "[ . 1]" 1
96 1 10 VAL MG1 1 68 GLU H 4.000 . 5.000 4.672 4.078 5.078 0.078 5 0 "[ . 1]" 1
97 1 10 VAL MG2 1 68 GLU H 4.000 . 5.000 4.032 3.558 4.600 . 0 0 "[ . 1]" 1
98 1 10 VAL MG1 1 68 GLU HA 4.000 . 5.000 3.592 3.069 3.919 . 0 0 "[ . 1]" 1
99 1 10 VAL MG2 1 68 GLU HA 4.000 . 5.000 4.218 3.887 4.603 . 0 0 "[ . 1]" 1
100 1 10 VAL MG2 1 68 GLU HB2 4.000 . 5.000 3.597 3.149 3.779 . 0 0 "[ . 1]" 1
101 1 10 VAL MG2 1 68 GLU HB3 4.000 . 5.000 5.009 4.613 5.195 0.195 5 0 "[ . 1]" 1
102 1 10 VAL MG1 1 68 GLU QG 4.000 . 5.000 3.653 2.552 4.851 . 0 0 "[ . 1]" 1
103 1 10 VAL MG2 1 68 GLU QG 4.000 . 5.000 4.305 3.269 5.077 0.077 1 0 "[ . 1]" 1
104 1 10 VAL MG1 1 71 VAL MG1 4.000 . 5.000 4.125 3.491 4.694 . 0 0 "[ . 1]" 1
105 1 10 VAL MG1 1 71 VAL MG2 4.000 . 5.000 3.628 3.005 4.269 . 0 0 "[ . 1]" 1
106 1 11 TYR H 1 11 TYR HB2 4.000 . 5.000 3.736 3.685 3.796 . 0 0 "[ . 1]" 1
107 1 11 TYR H 1 11 TYR HB3 4.000 . 5.000 3.023 2.824 3.214 . 0 0 "[ . 1]" 1
108 1 11 TYR H 1 11 TYR QD 4.000 . 5.000 2.510 1.944 2.733 . 0 0 "[ . 1]" 1
109 1 11 TYR H 1 11 TYR QE 4.000 . 5.000 4.058 3.942 4.304 . 0 0 "[ . 1]" 1
110 1 11 TYR H 1 22 THR MG 4.000 . 5.000 4.580 4.097 5.018 0.018 7 0 "[ . 1]" 1
111 1 11 TYR H 1 23 GLY H 4.000 . 5.000 3.444 3.249 3.588 . 0 0 "[ . 1]" 1
112 1 11 TYR H 1 24 TYR HA 4.000 . 5.000 3.628 2.454 4.280 . 0 0 "[ . 1]" 1
113 1 11 TYR HA 1 11 TYR QD 4.000 . 5.000 3.749 3.736 3.763 . 0 0 "[ . 1]" 1
114 1 11 TYR HA 1 12 ILE H 3.000 . 3.500 2.186 2.112 2.257 . 0 0 "[ . 1]" 1
115 1 11 TYR HA 1 55 THR HA 4.000 . 5.000 2.319 2.070 2.727 . 0 0 "[ . 1]" 1
116 1 11 TYR HA 1 55 THR MG 4.000 . 5.000 2.669 2.391 2.929 . 0 0 "[ . 1]" 1
117 1 11 TYR HA 1 56 TRP H 4.000 . 5.000 3.572 3.291 3.801 . 0 0 "[ . 1]" 1
118 1 11 TYR QB 1 11 TYR QE 4.000 . 5.000 3.935 3.928 3.940 . 0 0 "[ . 1]" 1
119 1 11 TYR HB2 1 12 ILE H 4.000 . 5.000 3.108 2.880 3.323 . 0 0 "[ . 1]" 1
120 1 11 TYR HB3 1 12 ILE H 4.000 . 5.000 4.104 3.986 4.310 . 0 0 "[ . 1]" 1
121 1 11 TYR HB2 1 13 LEU MD1 4.000 . 5.000 3.777 2.966 4.083 . 0 0 "[ . 1]" 1
122 1 11 TYR HB3 1 13 LEU MD1 4.000 . 5.000 4.931 4.292 5.085 0.085 4 0 "[ . 1]" 1
123 1 11 TYR HB2 1 52 LEU MD1 4.000 . 5.000 2.831 1.827 3.756 . 0 0 "[ . 1]" 1
124 1 11 TYR HB3 1 52 LEU MD1 4.000 . 5.000 3.726 3.003 4.331 . 0 0 "[ . 1]" 1
125 1 11 TYR HB2 1 55 THR MG 4.000 . 5.000 3.415 2.548 4.117 . 0 0 "[ . 1]" 1
126 1 11 TYR HB3 1 55 THR MG 4.000 . 5.000 2.389 1.909 3.048 . 0 0 "[ . 1]" 1
127 1 11 TYR QD 1 12 ILE H 4.000 . 5.000 4.084 3.584 4.411 . 0 0 "[ . 1]" 1
128 1 11 TYR QD 1 13 LEU QB 4.000 . 5.000 3.566 2.482 4.058 . 0 0 "[ . 1]" 1
129 1 11 TYR QD 1 13 LEU HG 4.000 . 5.000 2.827 1.795 4.816 0.005 5 0 "[ . 1]" 1
130 1 11 TYR QD 1 13 LEU MD1 4.000 . 5.000 2.457 1.684 2.864 0.116 10 0 "[ . 1]" 1
131 1 11 TYR QD 1 13 LEU MD2 4.000 . 5.000 3.549 3.187 4.020 . 0 0 "[ . 1]" 1
132 1 11 TYR QD 1 25 THR MG 4.000 . 5.000 3.241 2.263 4.500 . 0 0 "[ . 1]" 1
133 1 11 TYR QD 1 52 LEU MD1 4.000 . 5.000 3.846 2.240 4.953 . 0 0 "[ . 1]" 1
134 1 11 TYR QD 1 55 THR MG 4.000 . 5.000 3.823 3.397 4.331 . 0 0 "[ . 1]" 1
135 1 11 TYR QE 1 13 LEU QB 4.000 . 5.000 3.902 1.861 4.533 . 0 0 "[ . 1]" 1
136 1 11 TYR QE 1 13 LEU HG 4.000 . 5.000 4.112 3.313 5.125 0.125 10 0 "[ . 1]" 1
137 1 11 TYR QE 1 13 LEU MD1 4.000 . 5.000 2.653 2.292 3.101 . 0 0 "[ . 1]" 1
138 1 11 TYR QE 1 13 LEU MD2 4.000 . 5.000 4.179 2.378 5.025 0.025 1 0 "[ . 1]" 1
139 1 11 TYR QE 1 21 TYR QB 4.000 . 5.000 4.498 3.805 5.080 0.080 10 0 "[ . 1]" 1
140 1 11 TYR QE 1 21 TYR QD 4.000 . 5.000 2.711 1.854 3.447 . 0 0 "[ . 1]" 1
141 1 11 TYR QE 1 21 TYR QE 4.000 . 5.000 2.827 2.192 3.745 . 0 0 "[ . 1]" 1
142 1 11 TYR QE 1 24 TYR H 4.000 . 5.000 4.421 3.447 5.040 0.040 5 0 "[ . 1]" 1
143 1 11 TYR QE 1 25 THR MG 4.000 . 5.000 2.931 1.865 4.407 . 0 0 "[ . 1]" 1
144 1 12 ILE H 1 12 ILE HB 3.000 . 3.500 2.946 2.399 3.099 . 0 0 "[ . 1]" 1
145 1 12 ILE H 1 12 ILE QG 4.000 . 5.000 4.002 3.043 4.131 . 0 0 "[ . 1]" 1
146 1 12 ILE H 1 12 ILE MG 4.000 . 5.000 2.407 2.158 3.678 . 0 0 "[ . 1]" 1
147 1 12 ILE H 1 12 ILE MD 4.000 . 5.000 4.624 4.064 4.756 . 0 0 "[ . 1]" 1
148 1 12 ILE H 1 52 LEU MD1 4.000 . 5.000 3.348 2.491 4.752 . 0 0 "[ . 1]" 1
149 1 12 ILE H 1 54 ALA H 4.000 . 5.000 3.246 3.060 3.478 . 0 0 "[ . 1]" 1
150 1 12 ILE H 1 55 THR HA 4.000 . 5.000 3.464 3.189 3.711 . 0 0 "[ . 1]" 1
151 1 12 ILE H 1 56 TRP HZ3 4.000 . 5.000 3.720 3.230 4.259 . 0 0 "[ . 1]" 1
152 1 12 ILE H 1 56 TRP HE3 4.000 . 5.000 4.618 4.330 5.006 0.006 10 0 "[ . 1]" 1
153 1 12 ILE HA 1 12 ILE MD 4.000 . 5.000 3.571 1.969 3.778 . 0 0 "[ . 1]" 1
154 1 12 ILE HA 1 13 LEU H 3.000 . 3.500 2.099 2.087 2.126 . 0 0 "[ . 1]" 1
155 1 12 ILE HA 1 13 LEU MD1 4.000 . 5.000 4.806 3.279 5.055 0.055 2 0 "[ . 1]" 1
156 1 12 ILE HA 1 22 THR HA 4.000 . 5.000 2.500 2.298 2.774 . 0 0 "[ . 1]" 1
157 1 12 ILE HA 1 23 GLY H 4.000 . 5.000 3.233 2.821 3.714 . 0 0 "[ . 1]" 1
158 1 12 ILE HB 1 22 THR MG 4.000 . 5.000 3.344 2.872 5.067 0.067 2 0 "[ . 1]" 1
159 1 12 ILE HB 1 56 TRP HZ3 4.000 . 5.000 2.771 2.260 3.542 . 0 0 "[ . 1]" 1
160 1 12 ILE QG 1 13 LEU H 4.000 . 5.000 3.133 2.806 4.489 . 0 0 "[ . 1]" 1
161 1 12 ILE QG 1 20 TRP QB 4.000 . 5.000 2.136 1.808 3.972 . 0 0 "[ . 1]" 1
162 1 12 ILE HG12 1 22 THR MG 4.000 . 5.000 4.773 2.869 5.076 0.076 5 0 "[ . 1]" 1
163 1 12 ILE HG13 1 22 THR MG 4.000 . 5.000 3.635 3.467 3.755 . 0 0 "[ . 1]" 1
164 1 12 ILE QG 1 56 TRP HZ3 4.000 . 5.000 4.366 2.322 5.143 0.143 9 0 "[ . 1]" 1
165 1 12 ILE QG 1 71 VAL MG1 4.000 . 5.000 4.542 3.754 5.005 0.005 7 0 "[ . 1]" 1
166 1 12 ILE MG 1 13 LEU H 4.000 . 5.000 3.899 2.999 4.123 . 0 0 "[ . 1]" 1
167 1 12 ILE MG 1 13 LEU HA 4.000 . 5.000 4.008 3.551 4.201 . 0 0 "[ . 1]" 1
168 1 12 ILE MG 1 20 TRP HB2 4.000 . 5.000 4.888 3.274 5.120 0.120 7 0 "[ . 1]" 1
169 1 12 ILE MG 1 20 TRP HB3 4.000 . 5.000 3.589 1.786 3.974 0.014 2 0 "[ . 1]" 1
170 1 12 ILE MG 1 21 TYR H 4.000 . 5.000 4.946 3.721 5.115 0.115 9 0 "[ . 1]" 1
171 1 12 ILE MG 1 52 LEU HA 4.000 . 5.000 4.626 4.346 4.784 . 0 0 "[ . 1]" 1
172 1 12 ILE MG 1 53 VAL H 4.000 . 5.000 3.068 2.829 3.210 . 0 0 "[ . 1]" 1
173 1 12 ILE MG 1 53 VAL HB 4.000 . 5.000 1.782 1.746 1.875 0.054 6 0 "[ . 1]" 1
174 1 12 ILE MG 1 54 ALA H 4.000 . 5.000 2.260 2.033 2.985 . 0 0 "[ . 1]" 1
175 1 12 ILE MD 1 20 TRP H 4.000 . 5.000 4.725 4.619 5.114 0.114 2 0 "[ . 1]" 1
176 1 12 ILE MD 1 53 VAL MG1 4.000 . 5.000 3.887 3.551 4.776 . 0 0 "[ . 1]" 1
177 1 12 ILE MD 1 54 ALA H 4.000 . 5.000 4.936 4.735 5.087 0.087 2 0 "[ . 1]" 1
178 1 12 ILE MD 1 56 TRP HZ3 4.000 . 5.000 3.715 3.267 4.359 . 0 0 "[ . 1]" 1
179 1 12 ILE MD 1 56 TRP HH2 4.000 . 5.000 3.660 3.182 4.711 . 0 0 "[ . 1]" 1
180 1 12 ILE MD 1 71 VAL MG1 4.000 . 5.000 3.289 2.875 3.682 . 0 0 "[ . 1]" 1
181 1 12 ILE MD 1 71 VAL MG2 4.000 . 5.000 4.776 4.316 5.018 0.018 8 0 "[ . 1]" 1
182 1 12 ILE MD 1 83 VAL MG2 4.000 . 5.000 3.063 2.155 3.957 . 0 0 "[ . 1]" 1
183 1 13 LEU H 1 13 LEU HB2 4.000 . 5.000 2.453 2.300 2.529 . 0 0 "[ . 1]" 1
184 1 13 LEU H 1 13 LEU HB3 4.000 . 5.000 3.520 2.888 3.701 . 0 0 "[ . 1]" 1
185 1 13 LEU H 1 13 LEU MD1 4.000 . 5.000 3.693 2.663 3.903 . 0 0 "[ . 1]" 1
186 1 13 LEU H 1 21 TYR H 3.000 . 3.500 2.834 2.622 2.992 . 0 0 "[ . 1]" 1
187 1 13 LEU H 1 22 THR HA 4.000 . 5.000 3.948 3.673 4.127 . 0 0 "[ . 1]" 1
188 1 13 LEU HA 1 13 LEU MD1 4.000 . 5.000 3.382 1.963 3.885 . 0 0 "[ . 1]" 1
189 1 13 LEU HA 1 13 LEU MD2 4.000 . 5.000 2.577 1.990 3.806 . 0 0 "[ . 1]" 1
190 1 13 LEU HA 1 14 GLU H 3.000 . 3.500 2.157 2.089 2.213 . 0 0 "[ . 1]" 1
191 1 13 LEU HA 1 52 LEU HA 4.000 . 5.000 2.567 2.007 2.874 . 0 0 "[ . 1]" 1
192 1 13 LEU HA 1 53 VAL H 4.000 . 5.000 2.956 2.756 3.124 . 0 0 "[ . 1]" 1
193 1 13 LEU HA 1 53 VAL HB 4.000 . 5.000 4.633 4.350 4.829 . 0 0 "[ . 1]" 1
194 1 13 LEU HA 1 54 ALA H 4.000 . 5.000 4.814 4.556 5.043 0.043 4 0 "[ . 1]" 1
195 1 13 LEU HB2 1 14 GLU H 4.000 . 5.000 4.237 4.120 4.420 . 0 0 "[ . 1]" 1
196 1 13 LEU HB3 1 14 GLU H 4.000 . 5.000 3.341 3.129 3.784 . 0 0 "[ . 1]" 1
197 1 13 LEU HB2 1 21 TYR QB 4.000 . 5.000 2.493 1.953 3.333 . 0 0 "[ . 1]" 1
198 1 13 LEU HB3 1 21 TYR QB 4.000 . 5.000 3.546 2.710 3.983 . 0 0 "[ . 1]" 1
199 1 13 LEU HB2 1 21 TYR QD 4.000 . 5.000 3.214 2.644 3.617 . 0 0 "[ . 1]" 1
200 1 13 LEU HB3 1 21 TYR QD 4.000 . 5.000 4.579 3.667 5.063 0.063 7 0 "[ . 1]" 1
201 1 13 LEU QB 1 51 ARG H 4.000 . 5.000 4.004 3.334 5.154 0.154 3 0 "[ . 1]" 1
202 1 13 LEU HG 1 50 PHE QD 4.000 . 5.000 4.498 2.627 5.056 0.056 3 0 "[ . 1]" 1
203 1 13 LEU HG 1 52 LEU QB 4.000 . 5.000 4.795 3.824 5.076 0.076 9 0 "[ . 1]" 1
204 1 13 LEU HG 1 52 LEU MD1 4.000 . 5.000 3.727 3.166 4.573 . 0 0 "[ . 1]" 1
205 1 13 LEU MD1 1 14 GLU H 4.000 . 5.000 4.660 3.145 5.084 0.084 1 0 "[ . 1]" 1
206 1 13 LEU MD1 1 21 TYR QD 4.000 . 5.000 3.342 2.060 5.015 0.015 8 0 "[ . 1]" 1
207 1 13 LEU MD2 1 50 PHE QB 4.000 . 5.000 2.772 1.967 3.722 . 0 0 "[ . 1]" 1
208 1 13 LEU MD2 1 51 ARG H 4.000 . 5.000 4.197 3.548 4.721 . 0 0 "[ . 1]" 1
209 1 13 LEU MD1 1 52 LEU HA 4.000 . 5.000 4.016 1.797 4.894 0.003 3 0 "[ . 1]" 1
210 1 13 LEU MD2 1 52 LEU HA 4.000 . 5.000 2.728 1.802 4.812 . 0 0 "[ . 1]" 1
211 1 13 LEU MD1 1 52 LEU MD1 4.000 . 5.000 3.441 2.111 4.173 . 0 0 "[ . 1]" 1
212 1 13 LEU MD2 1 52 LEU MD1 4.000 . 5.000 2.751 1.980 4.398 . 0 0 "[ . 1]" 1
213 1 14 GLU H 1 14 GLU HB2 4.000 . 5.000 2.669 2.521 2.792 . 0 0 "[ . 1]" 1
214 1 14 GLU H 1 14 GLU HB3 4.000 . 5.000 2.526 2.431 2.636 . 0 0 "[ . 1]" 1
215 1 14 GLU H 1 15 CYS H 4.000 . 5.000 4.407 4.300 4.487 . 0 0 "[ . 1]" 1
216 1 14 GLU H 1 51 ARG H 4.000 . 5.000 3.084 2.875 3.628 . 0 0 "[ . 1]" 1
217 1 14 GLU H 1 51 ARG QB 4.000 . 5.000 3.588 2.908 5.136 0.136 3 0 "[ . 1]" 1
218 1 14 GLU H 1 52 LEU HA 4.000 . 5.000 3.462 2.963 3.803 . 0 0 "[ . 1]" 1
219 1 14 GLU H 1 53 VAL H 4.000 . 5.000 3.568 3.358 3.785 . 0 0 "[ . 1]" 1
220 1 14 GLU H 1 53 VAL MG2 4.000 . 5.000 2.600 2.244 2.859 . 0 0 "[ . 1]" 1
221 1 14 GLU HA 1 14 GLU HG2 4.000 . 5.000 3.143 3.075 3.264 . 0 0 "[ . 1]" 1
222 1 14 GLU HA 1 14 GLU HG3 4.000 . 5.000 2.496 2.397 2.572 . 0 0 "[ . 1]" 1
223 1 14 GLU HA 1 15 CYS H 3.000 . 3.500 2.139 2.103 2.157 . 0 0 "[ . 1]" 1
224 1 14 GLU HA 1 20 TRP HA 4.000 . 5.000 2.388 2.206 2.513 . 0 0 "[ . 1]" 1
225 1 14 GLU HA 1 20 TRP HD1 4.000 . 5.000 1.876 1.742 2.084 0.058 8 0 "[ . 1]" 1
226 1 14 GLU HA 1 20 TRP HE1 4.000 . 5.000 3.896 3.569 4.289 . 0 0 "[ . 1]" 1
227 1 14 GLU HA 1 21 TYR H 4.000 . 5.000 3.498 3.215 3.810 . 0 0 "[ . 1]" 1
228 1 14 GLU HB2 1 15 CYS H 4.000 . 5.000 4.333 4.171 4.473 . 0 0 "[ . 1]" 1
229 1 14 GLU HB3 1 15 CYS H 4.000 . 5.000 4.231 4.061 4.358 . 0 0 "[ . 1]" 1
230 1 14 GLU QB 1 20 TRP HD1 4.000 . 5.000 2.373 2.198 2.677 . 0 0 "[ . 1]" 1
231 1 14 GLU HB2 1 20 TRP HE1 4.000 . 5.000 2.639 1.909 2.894 . 0 0 "[ . 1]" 1
232 1 14 GLU HB3 1 20 TRP HE1 4.000 . 5.000 4.053 3.552 4.267 . 0 0 "[ . 1]" 1
233 1 14 GLU HB2 1 51 ARG H 4.000 . 5.000 4.567 4.372 4.956 . 0 0 "[ . 1]" 1
234 1 14 GLU HB3 1 51 ARG H 4.000 . 5.000 3.089 2.874 3.482 . 0 0 "[ . 1]" 1
235 1 14 GLU HB2 1 53 VAL MG2 4.000 . 5.000 2.160 1.811 2.733 . 0 0 "[ . 1]" 1
236 1 14 GLU HB3 1 53 VAL MG2 4.000 . 5.000 3.114 2.818 3.387 . 0 0 "[ . 1]" 1
237 1 14 GLU HG2 1 15 CYS H 4.000 . 5.000 3.377 2.952 3.645 . 0 0 "[ . 1]" 1
238 1 14 GLU HG3 1 15 CYS H 4.000 . 5.000 3.320 2.982 3.698 . 0 0 "[ . 1]" 1
239 1 14 GLU HG2 1 20 TRP HD1 4.000 . 5.000 3.892 3.622 4.479 . 0 0 "[ . 1]" 1
240 1 14 GLU HG3 1 20 TRP HD1 4.000 . 5.000 2.466 2.149 3.243 . 0 0 "[ . 1]" 1
241 1 14 GLU HG2 1 20 TRP HE1 4.000 . 5.000 3.927 3.714 4.162 . 0 0 "[ . 1]" 1
242 1 14 GLU HG3 1 20 TRP HE1 4.000 . 5.000 2.513 2.269 2.870 . 0 0 "[ . 1]" 1
243 1 15 CYS H 1 15 CYS HA 3.000 . 3.500 2.895 2.860 2.934 . 0 0 "[ . 1]" 1
244 1 15 CYS H 1 16 LYS H 4.000 . 5.000 4.546 4.486 4.614 . 0 0 "[ . 1]" 1
245 1 15 CYS H 1 19 SER H 4.000 . 5.000 3.661 3.403 4.181 . 0 0 "[ . 1]" 1
246 1 15 CYS H 1 20 TRP HA 4.000 . 5.000 3.288 3.072 3.399 . 0 0 "[ . 1]" 1
247 1 15 CYS H 1 20 TRP HD1 4.000 . 5.000 3.659 3.456 4.075 . 0 0 "[ . 1]" 1
248 1 15 CYS HA 1 16 LYS H 3.000 . 3.500 2.459 2.309 2.557 . 0 0 "[ . 1]" 1
249 1 15 CYS HA 1 50 PHE HA 4.000 . 5.000 3.257 2.290 5.034 0.034 3 0 "[ . 1]" 1
250 1 15 CYS HA 1 51 ARG H 4.000 . 5.000 3.963 3.591 4.247 . 0 0 "[ . 1]" 1
251 1 15 CYS QB 1 16 LYS H 3.000 . 3.500 2.657 2.092 3.354 . 0 0 "[ . 1]" 1
252 1 15 CYS QB 1 17 ASP H 4.000 . 5.000 2.664 2.291 3.302 . 0 0 "[ . 1]" 1
253 1 15 CYS QB 1 18 GLY H 4.000 . 5.000 3.674 2.896 5.063 0.063 4 0 "[ . 1]" 1
254 1 15 CYS QB 1 19 SER H 4.000 . 5.000 2.938 2.492 3.261 . 0 0 "[ . 1]" 1
255 1 16 LYS H 1 16 LYS HA 3.000 . 3.500 2.782 2.720 2.812 . 0 0 "[ . 1]" 1
256 1 16 LYS H 1 16 LYS HB2 4.000 . 5.000 2.949 2.459 3.586 . 0 0 "[ . 1]" 1
257 1 16 LYS H 1 16 LYS HB3 4.000 . 5.000 2.504 2.378 2.639 . 0 0 "[ . 1]" 1
258 1 16 LYS H 1 16 LYS QG 4.000 . 5.000 3.181 1.813 3.971 . 0 0 "[ . 1]" 1
259 1 16 LYS H 1 17 ASP H 4.000 . 5.000 2.704 2.504 3.048 . 0 0 "[ . 1]" 1
260 1 16 LYS H 1 49 PRO HB2 4.000 . 5.000 3.272 2.400 3.841 . 0 0 "[ . 1]" 1
261 1 16 LYS H 1 49 PRO HB3 4.000 . 5.000 4.709 4.117 5.047 0.047 8 0 "[ . 1]" 1
262 1 16 LYS HA 1 16 LYS HD2 4.000 . 5.000 4.576 4.197 4.851 . 0 0 "[ . 1]" 1
263 1 16 LYS HA 1 16 LYS HD3 4.000 . 5.000 4.757 4.660 4.903 . 0 0 "[ . 1]" 1
264 1 16 LYS HA 1 17 ASP H 4.000 . 5.000 3.473 3.407 3.577 . 0 0 "[ . 1]" 1
265 1 16 LYS HB2 1 16 LYS HD2 4.000 . 5.000 2.621 2.399 3.380 . 0 0 "[ . 1]" 1
266 1 16 LYS HB2 1 16 LYS HD3 4.000 . 5.000 3.100 2.923 3.784 . 0 0 "[ . 1]" 1
267 1 16 LYS HB3 1 16 LYS HD2 4.000 . 5.000 3.034 2.439 3.167 . 0 0 "[ . 1]" 1
268 1 16 LYS HB3 1 16 LYS HD3 4.000 . 5.000 2.600 2.329 3.604 . 0 0 "[ . 1]" 1
269 1 16 LYS HB2 1 17 ASP H 4.000 . 5.000 3.949 3.634 4.085 . 0 0 "[ . 1]" 1
270 1 16 LYS HB3 1 17 ASP H 4.000 . 5.000 3.324 2.489 4.132 . 0 0 "[ . 1]" 1
271 1 16 LYS QB 1 49 PRO HB2 4.000 . 5.000 2.607 1.900 4.052 . 0 0 "[ . 1]" 1
272 1 16 LYS QB 1 49 PRO HB3 4.000 . 5.000 3.259 2.143 4.471 . 0 0 "[ . 1]" 1
273 1 16 LYS HB2 1 49 PRO QG 4.000 . 5.000 3.330 1.941 5.090 0.090 6 0 "[ . 1]" 1
274 1 16 LYS HB3 1 49 PRO QG 4.000 . 5.000 3.097 1.741 3.953 0.059 2 0 "[ . 1]" 1
275 1 16 LYS QG 1 17 ASP H 4.000 . 5.000 3.147 2.165 4.075 . 0 0 "[ . 1]" 1
276 1 16 LYS QG 1 49 PRO QG 4.000 . 5.000 3.979 2.952 4.843 . 0 0 "[ . 1]" 1
277 1 16 LYS QD 1 49 PRO HG2 4.000 . 5.000 3.812 2.943 4.913 . 0 0 "[ . 1]" 1
278 1 16 LYS QD 1 49 PRO HG3 4.000 . 5.000 3.743 2.945 4.393 . 0 0 "[ . 1]" 1
279 1 17 ASP H 1 17 ASP HB2 4.000 . 5.000 2.883 2.480 3.704 . 0 0 "[ . 1]" 1
280 1 17 ASP H 1 17 ASP HB3 4.000 . 5.000 3.375 2.667 3.637 . 0 0 "[ . 1]" 1
281 1 17 ASP H 1 18 GLY H 4.000 . 5.000 2.985 2.401 4.551 . 0 0 "[ . 1]" 1
282 1 17 ASP HA 1 18 GLY H 4.000 . 5.000 3.179 2.434 3.582 . 0 0 "[ . 1]" 1
283 1 17 ASP QB 1 19 SER H 4.000 . 5.000 3.097 2.274 4.058 . 0 0 "[ . 1]" 1
284 1 18 GLY H 1 19 SER H 3.000 . 3.500 2.496 1.775 3.393 0.025 6 0 "[ . 1]" 1
285 1 18 GLY HA2 1 19 SER H 4.000 . 5.000 3.164 2.779 3.468 . 0 0 "[ . 1]" 1
286 1 18 GLY HA3 1 19 SER H 4.000 . 5.000 3.322 3.038 3.561 . 0 0 "[ . 1]" 1
287 1 18 GLY QA 1 19 SER QB 4.000 . 5.000 4.457 4.281 4.729 . 0 0 "[ . 1]" 1
288 1 19 SER H 1 20 TRP H 4.000 . 5.000 4.442 4.138 4.590 . 0 0 "[ . 1]" 1
289 1 19 SER HA 1 20 TRP H 3.000 . 3.500 2.195 2.154 2.269 . 0 0 "[ . 1]" 1
290 1 19 SER QB 1 20 TRP H 4.000 . 5.000 3.454 2.789 3.811 . 0 0 "[ . 1]" 1
291 1 20 TRP H 1 20 TRP HB2 4.000 . 5.000 2.429 2.339 2.510 . 0 0 "[ . 1]" 1
292 1 20 TRP H 1 20 TRP HB3 4.000 . 5.000 3.628 3.581 3.672 . 0 0 "[ . 1]" 1
293 1 20 TRP H 1 20 TRP HD1 4.000 . 5.000 4.027 3.597 4.810 . 0 0 "[ . 1]" 1
294 1 20 TRP HA 1 20 TRP HD1 4.000 . 5.000 2.238 2.140 2.452 . 0 0 "[ . 1]" 1
295 1 20 TRP HA 1 20 TRP HE1 4.000 . 5.000 4.680 4.623 4.752 . 0 0 "[ . 1]" 1
296 1 20 TRP HA 1 21 TYR H 3.000 . 3.500 2.131 2.078 2.204 . 0 0 "[ . 1]" 1
297 1 20 TRP QB 1 21 TYR H 4.000 . 5.000 3.188 2.837 3.430 . 0 0 "[ . 1]" 1
298 1 20 TRP HD1 1 21 TYR H 4.000 . 5.000 3.930 3.308 4.208 . 0 0 "[ . 1]" 1
299 1 20 TRP HZ2 1 53 VAL MG1 4.000 . 5.000 4.229 3.693 4.779 . 0 0 "[ . 1]" 1
300 1 20 TRP HZ2 1 53 VAL MG2 4.000 . 5.000 4.226 3.474 4.512 . 0 0 "[ . 1]" 1
301 1 20 TRP HZ2 1 83 VAL MG1 4.000 . 5.000 3.590 2.363 4.245 . 0 0 "[ . 1]" 1
302 1 20 TRP HZ2 1 83 VAL MG2 4.000 . 5.000 3.788 2.489 4.555 . 0 0 "[ . 1]" 1
303 1 20 TRP HH2 1 53 VAL MG1 4.000 . 5.000 5.073 5.027 5.169 0.169 2 0 "[ . 1]" 1
304 1 20 TRP HH2 1 80 GLU HA 4.000 . 5.000 3.104 2.633 3.746 . 0 0 "[ . 1]" 1
305 1 20 TRP HH2 1 80 GLU HG2 4.000 . 5.000 3.837 2.461 4.996 . 0 0 "[ . 1]" 1
306 1 20 TRP HH2 1 80 GLU HG3 4.000 . 5.000 3.647 2.311 5.024 0.024 7 0 "[ . 1]" 1
307 1 20 TRP HH2 1 83 VAL HB 4.000 . 5.000 3.678 3.227 4.171 . 0 0 "[ . 1]" 1
308 1 20 TRP HH2 1 83 VAL MG1 4.000 . 5.000 3.609 2.846 4.219 . 0 0 "[ . 1]" 1
309 1 20 TRP HH2 1 83 VAL MG2 4.000 . 5.000 3.319 2.792 4.056 . 0 0 "[ . 1]" 1
310 1 20 TRP HZ3 1 80 GLU HA 4.000 . 5.000 2.626 1.780 3.661 0.020 8 0 "[ . 1]" 1
311 1 20 TRP HE1 1 53 VAL MG2 4.000 . 5.000 2.789 1.784 3.675 0.016 4 0 "[ . 1]" 1
312 1 21 TYR H 1 21 TYR QB 3.000 . 3.500 2.324 2.228 2.381 . 0 0 "[ . 1]" 1
313 1 21 TYR H 1 21 TYR QD 4.000 . 5.000 4.227 4.176 4.265 . 0 0 "[ . 1]" 1
314 1 21 TYR HA 1 22 THR H 4.000 . 5.000 2.151 2.120 2.213 . 0 0 "[ . 1]" 1
315 1 21 TYR QB 1 21 TYR QE 4.000 . 5.000 3.936 3.924 3.948 . 0 0 "[ . 1]" 1
316 1 22 THR HA 1 23 GLY H 4.000 . 5.000 2.171 2.131 2.203 . 0 0 "[ . 1]" 1
317 1 22 THR MG 1 23 GLY H 4.000 . 5.000 3.171 2.699 3.363 . 0 0 "[ . 1]" 1
318 1 22 THR MG 1 68 GLU HA 4.000 . 5.000 3.338 2.775 3.790 . 0 0 "[ . 1]" 1
319 1 22 THR MG 1 68 GLU HG2 4.000 . 5.000 3.798 2.585 5.061 0.061 1 0 "[ . 1]" 1
320 1 22 THR MG 1 68 GLU HG3 4.000 . 5.000 3.362 2.369 4.387 . 0 0 "[ . 1]" 1
321 1 22 THR MG 1 71 VAL H 4.000 . 5.000 4.896 4.388 5.044 0.044 5 0 "[ . 1]" 1
322 1 22 THR MG 1 71 VAL HB 4.000 . 5.000 2.732 2.164 2.932 . 0 0 "[ . 1]" 1
323 1 22 THR MG 1 71 VAL MG1 4.000 . 5.000 2.241 1.781 2.626 0.019 5 0 "[ . 1]" 1
324 1 22 THR MG 1 71 VAL MG2 4.000 . 5.000 3.240 2.742 3.741 . 0 0 "[ . 1]" 1
325 1 22 THR MG 1 72 LYS H 4.000 . 5.000 4.467 4.121 5.026 0.026 5 0 "[ . 1]" 1
326 1 22 THR MG 1 82 LEU MD1 4.000 . 5.000 4.801 4.518 5.040 0.040 1 0 "[ . 1]" 1
327 1 22 THR H 1 22 THR HB 4.000 . 5.000 2.641 2.607 2.731 . 0 0 "[ . 1]" 1
328 1 22 THR H 1 22 THR MG 4.000 . 5.000 3.799 3.766 3.844 . 0 0 "[ . 1]" 1
329 1 23 GLY H 1 24 TYR H 4.000 . 5.000 4.385 4.107 4.542 . 0 0 "[ . 1]" 1
330 1 23 GLY HA2 1 24 TYR H 4.000 . 5.000 2.226 2.112 2.470 . 0 0 "[ . 1]" 1
331 1 23 GLY HA3 1 24 TYR H 4.000 . 5.000 3.017 2.581 3.348 . 0 0 "[ . 1]" 1
332 1 24 TYR H 1 24 TYR HB2 4.000 . 5.000 3.138 2.759 3.779 . 0 0 "[ . 1]" 1
333 1 24 TYR H 1 24 TYR HB3 4.000 . 5.000 2.554 2.258 2.871 . 0 0 "[ . 1]" 1
334 1 24 TYR H 1 24 TYR QD 4.000 . 5.000 3.799 1.871 4.352 . 0 0 "[ . 1]" 1
335 1 24 TYR H 1 25 THR H 4.000 . 5.000 4.335 4.063 4.537 . 0 0 "[ . 1]" 1
336 1 24 TYR HA 1 24 TYR QD 4.000 . 5.000 2.975 2.463 3.753 . 0 0 "[ . 1]" 1
337 1 24 TYR HA 1 25 THR H 3.000 . 3.500 2.172 2.120 2.210 . 0 0 "[ . 1]" 1
338 1 24 TYR QB 1 24 TYR QE 4.000 . 5.000 3.933 3.924 3.940 . 0 0 "[ . 1]" 1
339 1 24 TYR HB2 1 25 THR H 4.000 . 5.000 4.024 2.849 4.485 . 0 0 "[ . 1]" 1
340 1 24 TYR HB3 1 25 THR H 4.000 . 5.000 4.295 4.034 4.413 . 0 0 "[ . 1]" 1
341 1 24 TYR QD 1 25 THR H 4.000 . 5.000 3.679 3.039 4.099 . 0 0 "[ . 1]" 1
342 1 24 TYR QE 1 26 THR MG 4.000 . 5.000 4.171 3.556 4.846 . 0 0 "[ . 1]" 1
343 1 24 TYR QE 1 64 ALA HA 4.000 . 5.000 4.474 3.467 5.078 0.078 1 0 "[ . 1]" 1
344 1 24 TYR QE 1 64 ALA MB 4.000 . 5.000 2.341 1.797 3.383 0.003 4 0 "[ . 1]" 1
345 1 25 THR H 1 25 THR MG 4.000 . 5.000 2.870 1.923 3.976 . 0 0 "[ . 1]" 1
346 1 25 THR HA 1 26 THR H 4.000 . 5.000 2.202 2.113 2.438 . 0 0 "[ . 1]" 1
347 1 25 THR MG 1 27 ASP H 4.000 . 5.000 3.660 2.143 4.946 . 0 0 "[ . 1]" 1
348 1 25 THR MG 1 30 ARG QG 4.000 . 5.000 4.060 2.072 5.114 0.114 8 0 "[ . 1]" 1
349 1 25 THR MG 1 30 ARG QD 4.000 . 5.000 3.282 2.577 4.674 . 0 0 "[ . 1]" 1
350 1 26 THR H 1 26 THR MG 4.000 . 5.000 3.765 2.502 4.015 . 0 0 "[ . 1]" 1
351 1 26 THR HA 1 27 ASP H 4.000 . 5.000 2.426 2.174 2.695 . 0 0 "[ . 1]" 1
352 1 26 THR HB 1 27 ASP H 4.000 . 5.000 4.110 2.758 4.472 . 0 0 "[ . 1]" 1
353 1 27 ASP H 1 27 ASP HB2 4.000 . 5.000 3.266 2.258 3.894 . 0 0 "[ . 1]" 1
354 1 27 ASP H 1 27 ASP HB3 4.000 . 5.000 3.321 2.728 3.869 . 0 0 "[ . 1]" 1
355 1 27 ASP H 1 28 VAL H 4.000 . 5.000 4.221 3.793 4.600 . 0 0 "[ . 1]" 1
356 1 27 ASP H 1 30 ARG QB 4.000 . 5.000 3.892 2.967 4.477 . 0 0 "[ . 1]" 1
357 1 27 ASP HA 1 28 VAL H 3.000 . 3.500 2.243 2.108 2.667 . 0 0 "[ . 1]" 1
358 1 27 ASP HA 1 29 ASP H 4.000 . 5.000 3.672 2.875 4.211 . 0 0 "[ . 1]" 1
359 1 27 ASP HB2 1 29 ASP QB 4.000 . 5.000 3.847 2.473 5.102 0.102 3 0 "[ . 1]" 1
360 1 27 ASP HB3 1 29 ASP QB 4.000 . 5.000 3.909 2.463 4.908 . 0 0 "[ . 1]" 1
361 1 28 VAL H 1 28 VAL HB 4.000 . 5.000 2.550 2.429 2.645 . 0 0 "[ . 1]" 1
362 1 28 VAL H 1 28 VAL MG2 4.000 . 5.000 3.044 1.866 3.787 . 0 0 "[ . 1]" 1
363 1 28 VAL H 1 29 ASP H 4.000 . 5.000 2.616 2.468 2.748 . 0 0 "[ . 1]" 1
364 1 28 VAL H 1 30 ARG H 4.000 . 5.000 4.492 4.181 4.799 . 0 0 "[ . 1]" 1
365 1 28 VAL HA 1 29 ASP H 4.000 . 5.000 3.448 3.349 3.518 . 0 0 "[ . 1]" 1
366 1 28 VAL HA 1 30 ARG H 4.000 . 5.000 4.267 3.480 4.670 . 0 0 "[ . 1]" 1
367 1 28 VAL HA 1 31 ARG H 4.000 . 5.000 3.558 3.045 4.113 . 0 0 "[ . 1]" 1
368 1 28 VAL HA 1 32 ILE MG 4.000 . 5.000 4.595 4.344 5.118 0.118 7 0 "[ . 1]" 1
369 1 28 VAL HB 1 29 ASP H 4.000 . 5.000 3.568 2.455 4.234 . 0 0 "[ . 1]" 1
370 1 28 VAL MG1 1 29 ASP H 4.000 . 5.000 2.959 2.253 3.896 . 0 0 "[ . 1]" 1
371 1 28 VAL MG2 1 29 ASP H 4.000 . 5.000 3.855 3.647 4.119 . 0 0 "[ . 1]" 1
372 1 28 VAL MG1 1 29 ASP HA 4.000 . 5.000 3.381 3.103 3.860 . 0 0 "[ . 1]" 1
373 1 28 VAL MG1 1 32 ILE MG 4.000 . 5.000 3.311 2.847 3.745 . 0 0 "[ . 1]" 1
374 1 28 VAL MG2 1 32 ILE MG 4.000 . 5.000 3.949 2.847 5.036 0.036 1 0 "[ . 1]" 1
375 1 28 VAL MG1 1 32 ILE MD 4.000 . 5.000 4.441 3.868 5.055 0.055 7 0 "[ . 1]" 1
376 1 29 ASP H 1 29 ASP HB2 3.000 . 3.500 2.709 2.375 3.577 0.077 9 0 "[ . 1]" 1
377 1 29 ASP H 1 29 ASP HB3 3.000 . 3.500 2.747 2.449 3.583 0.083 7 0 "[ . 1]" 1
378 1 29 ASP H 1 30 ARG H 3.000 . 3.500 2.732 2.551 2.925 . 0 0 "[ . 1]" 1
379 1 29 ASP H 1 30 ARG QB 4.000 . 5.000 4.454 4.232 4.623 . 0 0 "[ . 1]" 1
380 1 29 ASP HA 1 32 ILE MD 4.000 . 5.000 4.454 3.999 4.988 . 0 0 "[ . 1]" 1
381 1 29 ASP HA 1 32 ILE HB 4.000 . 5.000 4.430 3.961 5.016 0.016 9 0 "[ . 1]" 1
382 1 29 ASP HB2 1 30 ARG H 4.000 . 5.000 3.612 2.770 3.895 . 0 0 "[ . 1]" 1
383 1 29 ASP HB3 1 30 ARG H 4.000 . 5.000 3.068 2.197 4.216 . 0 0 "[ . 1]" 1
384 1 30 ARG H 1 30 ARG HB2 4.000 . 5.000 2.487 2.227 2.862 . 0 0 "[ . 1]" 1
385 1 30 ARG H 1 30 ARG HB3 4.000 . 5.000 2.720 2.208 3.582 . 0 0 "[ . 1]" 1
386 1 30 ARG H 1 30 ARG HG2 4.000 . 5.000 4.050 2.316 4.508 . 0 0 "[ . 1]" 1
387 1 30 ARG H 1 30 ARG HG3 4.000 . 5.000 4.313 3.694 4.526 . 0 0 "[ . 1]" 1
388 1 30 ARG H 1 30 ARG QD 4.000 . 5.000 4.329 3.470 4.799 . 0 0 "[ . 1]" 1
389 1 30 ARG HA 1 30 ARG HG2 4.000 . 5.000 3.073 2.734 3.550 . 0 0 "[ . 1]" 1
390 1 30 ARG HA 1 30 ARG HG3 4.000 . 5.000 2.856 2.558 3.681 . 0 0 "[ . 1]" 1
391 1 30 ARG HA 1 30 ARG QD 4.000 . 5.000 3.691 1.861 4.361 . 0 0 "[ . 1]" 1
392 1 30 ARG HA 1 31 ARG H 4.000 . 5.000 3.527 3.493 3.559 . 0 0 "[ . 1]" 1
393 1 30 ARG HA 1 33 LYS QB 4.000 . 5.000 3.013 2.476 3.783 . 0 0 "[ . 1]" 1
394 1 30 ARG HA 1 34 LYS H 4.000 . 5.000 4.185 3.620 4.456 . 0 0 "[ . 1]" 1
395 1 30 ARG HB2 1 31 ARG H 4.000 . 5.000 3.609 2.359 4.118 . 0 0 "[ . 1]" 1
396 1 30 ARG HB3 1 31 ARG H 4.000 . 5.000 2.731 2.370 3.166 . 0 0 "[ . 1]" 1
397 1 30 ARG QG 1 31 ARG H 4.000 . 5.000 3.696 3.070 4.257 . 0 0 "[ . 1]" 1
398 1 30 ARG QD 1 31 ARG HA 4.000 . 5.000 5.039 4.844 5.292 0.292 6 0 "[ . 1]" 1
399 1 31 ARG H 1 32 ILE H 4.000 . 5.000 2.721 2.562 2.892 . 0 0 "[ . 1]" 1
400 1 31 ARG H 1 32 ILE MG 4.000 . 5.000 3.768 3.587 3.988 . 0 0 "[ . 1]" 1
401 1 31 ARG H 1 33 LYS H 4.000 . 5.000 4.088 3.872 4.407 . 0 0 "[ . 1]" 1
402 1 32 ILE H 1 32 ILE HG12 4.000 . 5.000 4.476 4.428 4.528 . 0 0 "[ . 1]" 1
403 1 32 ILE H 1 32 ILE HG13 4.000 . 5.000 4.477 4.405 4.514 . 0 0 "[ . 1]" 1
404 1 32 ILE H 1 32 ILE MG 4.000 . 5.000 2.011 1.901 2.169 . 0 0 "[ . 1]" 1
405 1 32 ILE H 1 32 ILE HB 4.000 . 5.000 2.614 2.496 2.672 . 0 0 "[ . 1]" 1
406 1 32 ILE H 1 33 LYS H 4.000 . 5.000 2.731 2.656 2.863 . 0 0 "[ . 1]" 1
407 1 32 ILE HA 1 32 ILE MD 4.000 . 5.000 3.794 3.767 3.824 . 0 0 "[ . 1]" 1
408 1 32 ILE HA 1 35 HIS H 4.000 . 5.000 3.443 3.083 3.809 . 0 0 "[ . 1]" 1
409 1 32 ILE QG 1 36 ALA H 4.000 . 5.000 3.839 3.473 4.220 . 0 0 "[ . 1]" 1
410 1 32 ILE MG 1 33 LYS H 4.000 . 5.000 2.102 1.844 2.298 . 0 0 "[ . 1]" 1
411 1 32 ILE MG 1 33 LYS HA 4.000 . 5.000 3.364 3.166 3.648 . 0 0 "[ . 1]" 1
412 1 32 ILE MG 1 33 LYS QB 4.000 . 5.000 3.280 2.868 3.805 . 0 0 "[ . 1]" 1
413 1 32 ILE MG 1 36 ALA MB 4.000 . 5.000 4.412 3.976 4.860 . 0 0 "[ . 1]" 1
414 1 32 ILE HB 1 33 LYS H 4.000 . 5.000 4.009 3.937 4.128 . 0 0 "[ . 1]" 1
415 1 33 LYS H 1 33 LYS QB 3.000 . 3.500 2.248 2.102 2.408 . 0 0 "[ . 1]" 1
416 1 33 LYS H 1 34 LYS H 4.000 . 5.000 2.769 2.681 2.970 . 0 0 "[ . 1]" 1
417 1 33 LYS HA 1 34 LYS H 4.000 . 5.000 3.555 3.521 3.607 . 0 0 "[ . 1]" 1
418 1 33 LYS HA 1 36 ALA H 4.000 . 5.000 3.425 3.168 3.748 . 0 0 "[ . 1]" 1
419 1 33 LYS HA 1 36 ALA MB 4.000 . 5.000 2.648 2.395 3.278 . 0 0 "[ . 1]" 1
420 1 33 LYS HA 1 37 SER H 4.000 . 5.000 3.858 3.399 4.232 . 0 0 "[ . 1]" 1
421 1 33 LYS QB 1 34 LYS H 3.000 . 3.500 2.492 2.253 2.718 . 0 0 "[ . 1]" 1
422 1 33 LYS QB 1 35 HIS H 4.000 . 5.000 4.590 4.297 4.755 . 0 0 "[ . 1]" 1
423 1 33 LYS QB 1 37 SER H 4.000 . 5.000 4.849 4.448 5.061 0.061 10 0 "[ . 1]" 1
424 1 34 LYS H 1 35 HIS H 4.000 . 5.000 2.689 2.623 2.766 . 0 0 "[ . 1]" 1
425 1 34 LYS H 1 36 ALA H 4.000 . 5.000 4.287 4.139 4.686 . 0 0 "[ . 1]" 1
426 1 34 LYS HA 1 35 HIS H 4.000 . 5.000 3.515 3.473 3.541 . 0 0 "[ . 1]" 1
427 1 34 LYS HA 1 37 SER H 4.000 . 5.000 3.599 3.309 4.019 . 0 0 "[ . 1]" 1
428 1 34 LYS HA 1 37 SER QB 3.000 . 3.500 3.029 2.396 3.599 0.099 5 0 "[ . 1]" 1
429 1 34 LYS HA 1 38 GLY H 4.000 . 5.000 3.781 2.232 4.464 . 0 0 "[ . 1]" 1
430 1 35 HIS H 1 36 ALA H 4.000 . 5.000 2.640 2.449 2.884 . 0 0 "[ . 1]" 1
431 1 35 HIS H 1 37 SER H 4.000 . 5.000 4.122 3.890 4.377 . 0 0 "[ . 1]" 1
432 1 36 ALA H 1 37 SER H 4.000 . 5.000 2.754 2.654 2.892 . 0 0 "[ . 1]" 1
433 1 36 ALA HA 1 37 SER H 4.000 . 5.000 3.545 3.507 3.582 . 0 0 "[ . 1]" 1
434 1 36 ALA MB 1 37 SER H 4.000 . 5.000 2.459 2.200 2.663 . 0 0 "[ . 1]" 1
435 1 37 SER H 1 38 GLY H 4.000 . 5.000 2.479 2.295 2.609 . 0 0 "[ . 1]" 1
436 1 37 SER HA 1 38 GLY H 4.000 . 5.000 3.472 3.334 3.561 . 0 0 "[ . 1]" 1
437 1 37 SER QB 1 38 GLY H 4.000 . 5.000 2.809 2.484 3.175 . 0 0 "[ . 1]" 1
438 1 37 SER QB 1 38 GLY QA 3.000 . 3.500 3.584 3.456 3.689 0.189 7 0 "[ . 1]" 1
439 1 38 GLY H 1 39 LYS H 4.000 . 5.000 2.681 2.399 2.862 . 0 0 "[ . 1]" 1
440 1 38 GLY QA 1 41 ALA MB 4.000 . 5.000 3.330 2.019 5.013 0.013 7 0 "[ . 1]" 1
441 1 39 LYS HA 1 40 GLY H 4.000 . 5.000 2.881 2.124 3.577 . 0 0 "[ . 1]" 1
442 1 40 GLY QA 1 41 ALA H 4.000 . 5.000 2.568 2.108 2.919 . 0 0 "[ . 1]" 1
443 1 41 ALA HA 1 42 LYS H 4.000 . 5.000 2.686 2.144 3.539 . 0 0 "[ . 1]" 1
444 1 43 TYR QD 1 44 THR MG 4.000 . 5.000 4.929 4.591 5.161 0.161 6 0 "[ . 1]" 1
445 1 43 TYR HA 1 43 TYR QD 4.000 . 5.000 3.006 2.521 3.727 . 0 0 "[ . 1]" 1
446 1 43 TYR QB 1 43 TYR QE 4.000 . 5.000 3.938 3.930 3.948 . 0 0 "[ . 1]" 1
447 1 44 THR HA 1 45 ARG H 4.000 . 5.000 2.689 2.122 3.558 . 0 0 "[ . 1]" 1
448 1 46 GLY QA 1 47 ARG H 4.000 . 5.000 2.297 2.090 2.770 . 0 0 "[ . 1]" 1
449 1 47 ARG H 1 47 ARG HB2 4.000 . 5.000 2.982 2.308 3.990 . 0 0 "[ . 1]" 1
450 1 47 ARG H 1 47 ARG HB3 4.000 . 5.000 3.509 2.619 4.099 . 0 0 "[ . 1]" 1
451 1 47 ARG H 1 47 ARG QG 4.000 . 5.000 3.552 2.603 4.500 . 0 0 "[ . 1]" 1
452 1 47 ARG H 1 48 GLY H 3.000 . 3.500 2.697 1.921 3.634 0.134 7 0 "[ . 1]" 1
453 1 47 ARG HA 1 48 GLY H 4.000 . 5.000 3.039 2.166 3.573 . 0 0 "[ . 1]" 1
454 1 47 ARG HB2 1 48 GLY H 4.000 . 5.000 3.848 2.655 4.650 . 0 0 "[ . 1]" 1
455 1 47 ARG HB3 1 48 GLY H 4.000 . 5.000 3.703 1.940 4.484 . 0 0 "[ . 1]" 1
456 1 48 GLY H 1 49 PRO HA 4.000 . 5.000 4.559 4.114 4.849 . 0 0 "[ . 1]" 1
457 1 48 GLY HA2 1 49 PRO HA 4.000 . 5.000 2.554 1.781 2.836 0.019 9 0 "[ . 1]" 1
458 1 48 GLY HA3 1 49 PRO HA 4.000 . 5.000 2.161 1.834 2.801 . 0 0 "[ . 1]" 1
459 1 48 GLY QA 1 50 PHE H 4.000 . 5.000 2.542 2.025 3.392 . 0 0 "[ . 1]" 1
460 1 49 PRO HA 1 50 PHE H 3.000 . 3.500 2.809 2.189 3.499 . 0 0 "[ . 1]" 1
461 1 49 PRO HB2 1 50 PHE H 4.000 . 5.000 3.876 3.040 4.282 . 0 0 "[ . 1]" 1
462 1 49 PRO HB3 1 50 PHE H 4.000 . 5.000 4.266 3.041 4.658 . 0 0 "[ . 1]" 1
463 1 50 PHE H 1 50 PHE HB2 4.000 . 5.000 3.076 2.356 3.937 . 0 0 "[ . 1]" 1
464 1 50 PHE H 1 50 PHE HB3 4.000 . 5.000 3.422 2.713 3.798 . 0 0 "[ . 1]" 1
465 1 50 PHE H 1 50 PHE QD 4.000 . 5.000 2.731 2.226 4.169 . 0 0 "[ . 1]" 1
466 1 50 PHE H 1 51 ARG H 4.000 . 5.000 4.265 3.933 4.578 . 0 0 "[ . 1]" 1
467 1 50 PHE HA 1 50 PHE QD 4.000 . 5.000 3.214 2.702 3.743 . 0 0 "[ . 1]" 1
468 1 50 PHE HA 1 51 ARG H 3.000 . 3.500 2.243 2.120 2.889 . 0 0 "[ . 1]" 1
469 1 50 PHE QB 1 50 PHE QE 4.000 . 5.000 3.924 3.920 3.928 . 0 0 "[ . 1]" 1
470 1 50 PHE HB2 1 51 ARG H 4.000 . 5.000 3.784 2.830 4.465 . 0 0 "[ . 1]" 1
471 1 50 PHE HB3 1 51 ARG H 4.000 . 5.000 3.718 2.093 4.241 . 0 0 "[ . 1]" 1
472 1 50 PHE QD 1 51 ARG H 4.000 . 5.000 4.013 2.037 4.570 . 0 0 "[ . 1]" 1
473 1 51 ARG H 1 51 ARG HB2 4.000 . 5.000 2.896 2.292 3.953 . 0 0 "[ . 1]" 1
474 1 51 ARG H 1 51 ARG HB3 4.000 . 5.000 3.274 2.410 3.765 . 0 0 "[ . 1]" 1
475 1 51 ARG HA 1 52 LEU H 3.000 . 3.500 2.247 2.136 2.632 . 0 0 "[ . 1]" 1
476 1 51 ARG QG 1 52 LEU H 4.000 . 5.000 3.656 2.765 4.323 . 0 0 "[ . 1]" 1
477 1 52 LEU H 1 52 LEU HB2 4.000 . 5.000 2.652 2.499 3.089 . 0 0 "[ . 1]" 1
478 1 52 LEU H 1 52 LEU HB3 4.000 . 5.000 2.495 2.386 2.692 . 0 0 "[ . 1]" 1
479 1 52 LEU H 1 52 LEU MD1 4.000 . 5.000 4.193 4.093 4.625 . 0 0 "[ . 1]" 1
480 1 52 LEU H 1 52 LEU MD2 4.000 . 5.000 4.240 4.081 4.308 . 0 0 "[ . 1]" 1
481 1 52 LEU HA 1 52 LEU HG 4.000 . 5.000 3.009 2.435 3.234 . 0 0 "[ . 1]" 1
482 1 52 LEU HA 1 52 LEU MD2 4.000 . 5.000 3.779 3.321 3.900 . 0 0 "[ . 1]" 1
483 1 52 LEU HA 1 53 VAL H 3.000 . 3.500 2.146 2.112 2.250 . 0 0 "[ . 1]" 1
484 1 52 LEU HA 1 54 ALA H 4.000 . 5.000 4.150 3.818 4.360 . 0 0 "[ . 1]" 1
485 1 52 LEU MD1 1 53 VAL H 4.000 . 5.000 2.924 2.121 4.461 . 0 0 "[ . 1]" 1
486 1 52 LEU MD1 1 54 ALA H 4.000 . 5.000 3.308 2.633 4.747 . 0 0 "[ . 1]" 1
487 1 52 LEU MD1 1 55 THR MG 4.000 . 5.000 3.441 1.754 3.835 0.046 6 0 "[ . 1]" 1
488 1 52 LEU MD2 1 55 THR MG 4.000 . 5.000 3.854 2.642 4.387 . 0 0 "[ . 1]" 1
489 1 53 VAL H 1 53 VAL HB 4.000 . 5.000 2.588 2.531 2.645 . 0 0 "[ . 1]" 1
490 1 53 VAL H 1 53 VAL MG1 4.000 . 5.000 3.809 3.786 3.854 . 0 0 "[ . 1]" 1
491 1 53 VAL H 1 53 VAL MG2 4.000 . 5.000 2.214 2.007 2.468 . 0 0 "[ . 1]" 1
492 1 53 VAL H 1 54 ALA H 3.000 . 3.500 2.466 2.252 2.709 . 0 0 "[ . 1]" 1
493 1 53 VAL HA 1 54 ALA H 4.000 . 5.000 3.566 3.545 3.577 . 0 0 "[ . 1]" 1
494 1 53 VAL HB 1 54 ALA H 4.000 . 5.000 2.289 2.113 2.480 . 0 0 "[ . 1]" 1
495 1 53 VAL HB 1 54 ALA MB 4.000 . 5.000 3.522 3.437 3.620 . 0 0 "[ . 1]" 1
496 1 53 VAL MG1 1 54 ALA H 4.000 . 5.000 3.324 3.128 3.533 . 0 0 "[ . 1]" 1
497 1 53 VAL MG2 1 54 ALA H 4.000 . 5.000 3.612 3.563 3.656 . 0 0 "[ . 1]" 1
498 1 53 VAL MG1 1 54 ALA MB 4.000 . 5.000 2.786 2.677 2.921 . 0 0 "[ . 1]" 1
499 1 53 VAL MG1 1 83 VAL MG1 4.000 . 5.000 2.174 1.786 3.028 0.014 2 0 "[ . 1]" 1
500 1 53 VAL MG1 1 83 VAL MG2 4.000 . 5.000 2.366 1.789 3.255 0.011 4 0 "[ . 1]" 1
501 1 54 ALA HA 1 55 THR H 4.000 . 5.000 2.379 2.265 2.479 . 0 0 "[ . 1]" 1
502 1 54 ALA MB 1 55 THR H 4.000 . 5.000 2.391 2.207 2.604 . 0 0 "[ . 1]" 1
503 1 54 ALA MB 1 55 THR MG 4.000 . 5.000 5.016 4.560 5.107 0.107 4 0 "[ . 1]" 1
504 1 54 ALA MB 1 56 TRP HZ3 4.000 . 5.000 3.136 1.826 3.655 . 0 0 "[ . 1]" 1
505 1 54 ALA MB 1 56 TRP HH2 4.000 . 5.000 2.706 2.472 3.462 . 0 0 "[ . 1]" 1
506 1 54 ALA MB 1 82 LEU MD2 4.000 . 5.000 4.766 4.133 5.078 0.078 4 0 "[ . 1]" 1
507 1 54 ALA MB 1 83 VAL MG1 4.000 . 5.000 4.173 3.351 4.795 . 0 0 "[ . 1]" 1
508 1 54 ALA MB 1 83 VAL MG2 4.000 . 5.000 4.016 2.848 4.560 . 0 0 "[ . 1]" 1
509 1 55 THR H 1 55 THR MG 4.000 . 5.000 3.916 3.532 3.979 . 0 0 "[ . 1]" 1
510 1 55 THR HA 1 56 TRP H 3.000 . 3.500 2.155 2.139 2.178 . 0 0 "[ . 1]" 1
511 1 55 THR HB 1 56 TRP H 4.000 . 5.000 4.071 3.371 4.280 . 0 0 "[ . 1]" 1
512 1 55 THR MG 1 56 TRP H 4.000 . 5.000 2.787 2.474 3.454 . 0 0 "[ . 1]" 1
513 1 56 TRP H 1 56 TRP HB2 4.000 . 5.000 2.678 2.460 3.877 . 0 0 "[ . 1]" 1
514 1 56 TRP H 1 56 TRP HB3 4.000 . 5.000 3.684 3.415 3.781 . 0 0 "[ . 1]" 1
515 1 56 TRP H 1 56 TRP HE3 4.000 . 5.000 2.497 2.299 2.600 . 0 0 "[ . 1]" 1
516 1 56 TRP HA 1 57 ALA H 3.000 . 3.500 2.311 2.133 2.714 . 0 0 "[ . 1]" 1
517 1 56 TRP HB2 1 57 ALA H 4.000 . 5.000 3.782 2.024 4.405 . 0 0 "[ . 1]" 1
518 1 56 TRP HB3 1 57 ALA H 4.000 . 5.000 3.010 2.433 3.559 . 0 0 "[ . 1]" 1
519 1 56 TRP QB 1 58 PHE QE 4.000 . 5.000 2.619 2.108 4.759 . 0 0 "[ . 1]" 1
520 1 67 TRP HZ2 1 82 LEU MD1 4.000 . 5.000 3.508 2.003 4.638 . 0 0 "[ . 1]" 1
521 1 67 TRP HZ2 1 82 LEU MD2 4.000 . 5.000 3.539 1.916 4.962 . 0 0 "[ . 1]" 1
522 1 67 TRP HH2 1 82 LEU MD1 4.000 . 5.000 3.032 2.219 3.766 . 0 0 "[ . 1]" 1
523 1 67 TRP HZ3 1 82 LEU MD1 4.000 . 5.000 3.823 2.705 5.008 0.008 9 0 "[ . 1]" 1
524 1 67 TRP HZ3 1 82 LEU MD2 4.000 . 5.000 3.503 2.279 4.796 . 0 0 "[ . 1]" 1
525 1 67 TRP HE3 1 68 GLU H 4.000 . 5.000 4.033 2.912 5.239 0.239 4 0 "[ . 1]" 1
526 1 57 ALA H 1 58 PHE H 4.000 . 5.000 4.260 4.035 4.425 . 0 0 "[ . 1]" 1
527 1 57 ALA H 1 58 PHE QE 4.000 . 5.000 4.703 4.373 5.071 0.071 9 0 "[ . 1]" 1
528 1 57 ALA HA 1 58 PHE H 4.000 . 5.000 2.161 2.132 2.259 . 0 0 "[ . 1]" 1
529 1 57 ALA MB 1 58 PHE H 4.000 . 5.000 3.128 2.554 3.373 . 0 0 "[ . 1]" 1
530 1 58 PHE H 1 58 PHE HB2 4.000 . 5.000 2.725 2.597 2.823 . 0 0 "[ . 1]" 1
531 1 58 PHE H 1 58 PHE HB3 4.000 . 5.000 3.814 3.741 3.869 . 0 0 "[ . 1]" 1
532 1 58 PHE H 1 58 PHE QD 4.000 . 5.000 3.028 2.788 3.360 . 0 0 "[ . 1]" 1
533 1 58 PHE HA 1 59 PRO HD2 4.000 . 5.000 2.553 2.172 2.887 . 0 0 "[ . 1]" 1
534 1 58 PHE HA 1 59 PRO HD3 4.000 . 5.000 1.934 1.784 2.312 0.016 2 0 "[ . 1]" 1
535 1 58 PHE HB2 1 58 PHE QE 4.000 . 5.000 4.390 4.379 4.409 . 0 0 "[ . 1]" 1
536 1 58 PHE HB3 1 58 PHE QE 4.000 . 5.000 4.420 4.397 4.443 . 0 0 "[ . 1]" 1
537 1 58 PHE QB 1 59 PRO QD 4.000 . 5.000 2.893 2.604 3.212 . 0 0 "[ . 1]" 1
538 1 58 PHE HB2 1 60 SER H 3.000 . 3.500 3.553 3.518 3.590 0.090 7 0 "[ . 1]" 1
539 1 58 PHE HB3 1 60 SER H 3.000 . 3.500 2.674 2.551 2.790 . 0 0 "[ . 1]" 1
540 1 58 PHE QB 1 60 SER QB 4.000 . 5.000 3.506 3.064 4.322 . 0 0 "[ . 1]" 1
541 1 58 PHE QB 1 64 ALA H 4.000 . 5.000 3.436 3.189 3.712 . 0 0 "[ . 1]" 1
542 1 58 PHE HB2 1 64 ALA MB 4.000 . 5.000 2.436 1.857 3.363 . 0 0 "[ . 1]" 1
543 1 58 PHE HB3 1 64 ALA MB 4.000 . 5.000 3.584 2.966 4.293 . 0 0 "[ . 1]" 1
544 1 58 PHE QD 1 63 GLU QB 4.000 . 5.000 3.585 2.838 4.409 . 0 0 "[ . 1]" 1
545 1 58 PHE QD 1 63 GLU QG 4.000 . 5.000 3.835 2.596 4.671 . 0 0 "[ . 1]" 1
546 1 58 PHE QD 1 64 ALA MB 4.000 . 5.000 3.193 2.537 4.449 . 0 0 "[ . 1]" 1
547 1 58 PHE HZ 1 67 TRP HE1 4.000 . 5.000 3.601 2.889 5.024 0.024 3 0 "[ . 1]" 1
548 1 59 PRO HA 1 60 SER H 4.000 . 5.000 3.382 3.096 3.487 . 0 0 "[ . 1]" 1
549 1 59 PRO HA 1 60 SER HA 4.000 . 5.000 4.609 4.524 4.699 . 0 0 "[ . 1]" 1
550 1 59 PRO HB2 1 60 SER H 4.000 . 5.000 3.588 3.189 4.248 . 0 0 "[ . 1]" 1
551 1 59 PRO HB3 1 60 SER H 4.000 . 5.000 4.407 4.285 4.601 . 0 0 "[ . 1]" 1
552 1 59 PRO HD2 1 60 SER H 4.000 . 5.000 2.566 2.350 2.956 . 0 0 "[ . 1]" 1
553 1 59 PRO HD3 1 60 SER H 4.000 . 5.000 3.745 3.564 4.036 . 0 0 "[ . 1]" 1
554 1 60 SER H 1 61 LYS H 4.000 . 5.000 4.428 4.353 4.494 . 0 0 "[ . 1]" 1
555 1 60 SER H 1 63 GLU H 4.000 . 5.000 4.886 4.498 5.071 0.071 2 0 "[ . 1]" 1
556 1 60 SER H 1 63 GLU HB2 4.000 . 5.000 4.016 3.476 4.975 . 0 0 "[ . 1]" 1
557 1 60 SER H 1 63 GLU HB3 4.000 . 5.000 4.437 3.385 5.054 0.054 8 0 "[ . 1]" 1
558 1 60 SER H 1 64 ALA MB 4.000 . 5.000 4.332 3.781 4.802 . 0 0 "[ . 1]" 1
559 1 60 SER HA 1 61 LYS H 3.000 . 3.500 2.146 2.118 2.175 . 0 0 "[ . 1]" 1
560 1 60 SER HA 1 62 GLU H 4.000 . 5.000 4.094 3.697 4.515 . 0 0 "[ . 1]" 1
561 1 60 SER HB2 1 61 LYS H 4.000 . 5.000 4.035 3.384 4.196 . 0 0 "[ . 1]" 1
562 1 60 SER HB3 1 61 LYS H 4.000 . 5.000 3.552 3.021 4.178 . 0 0 "[ . 1]" 1
563 1 60 SER QB 1 62 GLU H 3.000 . 3.500 3.388 3.059 3.536 0.036 8 0 "[ . 1]" 1
564 1 60 SER QB 1 63 GLU H 4.000 . 5.000 2.543 2.295 2.691 . 0 0 "[ . 1]" 1
565 1 60 SER QB 1 63 GLU QB 4.000 . 5.000 2.123 1.734 2.822 0.066 5 0 "[ . 1]" 1
566 1 61 LYS H 1 61 LYS QG 4.000 . 5.000 3.607 2.151 4.028 . 0 0 "[ . 1]" 1
567 1 61 LYS H 1 62 GLU H 3.000 . 3.500 2.736 2.588 2.883 . 0 0 "[ . 1]" 1
568 1 61 LYS HA 1 62 GLU H 4.000 . 5.000 3.539 3.483 3.584 . 0 0 "[ . 1]" 1
569 1 61 LYS HA 1 64 ALA H 4.000 . 5.000 3.727 3.296 3.924 . 0 0 "[ . 1]" 1
570 1 61 LYS HA 1 64 ALA MB 4.000 . 5.000 2.931 2.281 3.348 . 0 0 "[ . 1]" 1
571 1 61 LYS HA 1 65 MET H 4.000 . 5.000 4.114 3.810 4.528 . 0 0 "[ . 1]" 1
572 1 61 LYS QB 1 62 GLU H 4.000 . 5.000 2.621 2.270 3.565 . 0 0 "[ . 1]" 1
573 1 61 LYS QG 1 62 GLU H 4.000 . 5.000 3.220 2.354 4.112 . 0 0 "[ . 1]" 1
574 1 61 LYS QG 1 65 MET H 4.000 . 5.000 4.445 4.133 5.039 0.039 8 0 "[ . 1]" 1
575 1 61 LYS QG 1 65 MET QG 4.000 . 5.000 4.318 2.903 5.086 0.086 9 0 "[ . 1]" 1
576 1 61 LYS QG 1 65 MET ME 4.000 . 5.000 2.867 2.153 4.128 . 0 0 "[ . 1]" 1
577 1 61 LYS HE2 1 65 MET ME 4.000 . 5.000 3.880 1.879 5.080 0.080 10 0 "[ . 1]" 1
578 1 61 LYS HE3 1 65 MET ME 4.000 . 5.000 4.290 2.968 5.019 0.019 10 0 "[ . 1]" 1
579 1 62 GLU H 1 62 GLU HA 3.000 . 3.500 2.808 2.769 2.830 . 0 0 "[ . 1]" 1
580 1 62 GLU H 1 62 GLU HB2 3.000 . 3.500 2.772 2.269 3.599 0.099 1 0 "[ . 1]" 1
581 1 62 GLU H 1 62 GLU HB3 3.000 . 3.500 3.046 2.522 3.568 0.068 3 0 "[ . 1]" 1
582 1 62 GLU H 1 62 GLU HG2 4.000 . 5.000 3.586 2.135 4.577 . 0 0 "[ . 1]" 1
583 1 62 GLU H 1 62 GLU HG3 4.000 . 5.000 3.557 1.748 4.524 0.052 4 0 "[ . 1]" 1
584 1 62 GLU H 1 63 GLU H 3.000 . 3.500 2.695 2.572 2.863 . 0 0 "[ . 1]" 1
585 1 62 GLU H 1 64 ALA H 4.000 . 5.000 4.226 3.907 4.556 . 0 0 "[ . 1]" 1
586 1 62 GLU HA 1 62 GLU HG2 4.000 . 5.000 3.441 2.712 4.180 . 0 0 "[ . 1]" 1
587 1 62 GLU HA 1 62 GLU HG3 4.000 . 5.000 3.204 2.568 4.255 . 0 0 "[ . 1]" 1
588 1 62 GLU HA 1 63 GLU H 4.000 . 5.000 3.529 3.489 3.556 . 0 0 "[ . 1]" 1
589 1 62 GLU HA 1 65 MET H 4.000 . 5.000 3.599 3.082 4.127 . 0 0 "[ . 1]" 1
590 1 62 GLU HA 1 65 MET QB 4.000 . 5.000 2.815 2.111 3.222 . 0 0 "[ . 1]" 1
591 1 62 GLU HA 1 65 MET ME 4.000 . 5.000 3.568 2.039 4.616 . 0 0 "[ . 1]" 1
592 1 62 GLU HA 1 66 ARG H 4.000 . 5.000 3.958 3.595 4.343 . 0 0 "[ . 1]" 1
593 1 62 GLU QB 1 63 GLU H 4.000 . 5.000 2.711 2.271 3.519 . 0 0 "[ . 1]" 1
594 1 62 GLU QB 1 66 ARG QD 4.000 . 5.000 4.534 3.402 5.097 0.097 8 0 "[ . 1]" 1
595 1 63 GLU H 1 63 GLU HB2 4.000 . 5.000 2.409 2.272 2.486 . 0 0 "[ . 1]" 1
596 1 63 GLU H 1 63 GLU HB3 4.000 . 5.000 3.189 2.531 3.592 . 0 0 "[ . 1]" 1
597 1 63 GLU H 1 63 GLU QG 4.000 . 5.000 2.997 2.185 4.043 . 0 0 "[ . 1]" 1
598 1 63 GLU H 1 64 ALA H 4.000 . 5.000 2.706 2.586 2.866 . 0 0 "[ . 1]" 1
599 1 63 GLU H 1 64 ALA MB 4.000 . 5.000 4.372 4.259 4.537 . 0 0 "[ . 1]" 1
600 1 63 GLU H 1 65 MET H 4.000 . 5.000 4.171 3.858 4.357 . 0 0 "[ . 1]" 1
601 1 63 GLU HA 1 63 GLU HG2 4.000 . 5.000 3.107 2.403 3.736 . 0 0 "[ . 1]" 1
602 1 63 GLU HA 1 63 GLU HG3 4.000 . 5.000 3.240 2.448 3.741 . 0 0 "[ . 1]" 1
603 1 63 GLU HA 1 64 ALA H 4.000 . 5.000 3.540 3.510 3.568 . 0 0 "[ . 1]" 1
604 1 63 GLU HA 1 66 ARG H 4.000 . 5.000 3.743 3.528 4.071 . 0 0 "[ . 1]" 1
605 1 63 GLU HA 1 66 ARG QB 4.000 . 5.000 3.043 2.490 3.884 . 0 0 "[ . 1]" 1
606 1 63 GLU HB2 1 64 ALA H 4.000 . 5.000 3.037 2.340 3.820 . 0 0 "[ . 1]" 1
607 1 63 GLU HB3 1 64 ALA H 4.000 . 5.000 3.072 2.407 3.714 . 0 0 "[ . 1]" 1
608 1 63 GLU QG 1 64 ALA H 4.000 . 5.000 3.939 3.569 4.294 . 0 0 "[ . 1]" 1
609 1 64 ALA H 1 65 MET H 3.000 . 3.500 2.673 2.544 2.798 . 0 0 "[ . 1]" 1
610 1 64 ALA H 1 66 ARG H 4.000 . 5.000 4.255 4.112 4.597 . 0 0 "[ . 1]" 1
611 1 64 ALA HA 1 65 MET H 4.000 . 5.000 3.532 3.446 3.562 . 0 0 "[ . 1]" 1
612 1 64 ALA MB 1 65 MET H 4.000 . 5.000 2.541 2.297 2.921 . 0 0 "[ . 1]" 1
613 1 64 ALA MB 1 66 ARG H 4.000 . 5.000 4.607 4.424 4.953 . 0 0 "[ . 1]" 1
614 1 64 ALA MB 1 67 TRP H 4.000 . 5.000 4.675 4.433 4.890 . 0 0 "[ . 1]" 1
615 1 65 MET H 1 65 MET HG2 4.000 . 5.000 4.077 3.465 4.610 . 0 0 "[ . 1]" 1
616 1 65 MET H 1 65 MET HG3 4.000 . 5.000 3.596 2.184 4.494 . 0 0 "[ . 1]" 1
617 1 65 MET H 1 66 ARG H 4.000 . 5.000 2.661 2.597 2.715 . 0 0 "[ . 1]" 1
618 1 65 MET HA 1 65 MET HG2 4.000 . 5.000 2.978 2.465 3.780 . 0 0 "[ . 1]" 1
619 1 65 MET HA 1 65 MET HG3 4.000 . 5.000 2.816 2.513 3.124 . 0 0 "[ . 1]" 1
620 1 65 MET HA 1 65 MET ME 4.000 . 5.000 4.007 2.837 4.672 . 0 0 "[ . 1]" 1
621 1 65 MET HA 1 66 ARG H 4.000 . 5.000 3.544 3.517 3.572 . 0 0 "[ . 1]" 1
622 1 65 MET HA 1 68 GLU H 4.000 . 5.000 3.898 3.725 4.129 . 0 0 "[ . 1]" 1
623 1 65 MET HA 1 68 GLU HB2 4.000 . 5.000 4.075 3.821 4.503 . 0 0 "[ . 1]" 1
624 1 65 MET HA 1 68 GLU HB3 4.000 . 5.000 3.448 3.024 3.823 . 0 0 "[ . 1]" 1
625 1 65 MET HA 1 69 TYR H 4.000 . 5.000 4.161 4.021 4.326 . 0 0 "[ . 1]" 1
626 1 65 MET QB 1 65 MET ME 4.000 . 5.000 2.159 1.961 3.582 . 0 0 "[ . 1]" 1
627 1 65 MET QB 1 66 ARG H 4.000 . 5.000 2.481 2.367 2.561 . 0 0 "[ . 1]" 1
628 1 66 ARG H 1 66 ARG QB 3.000 . 3.500 2.351 2.195 2.596 . 0 0 "[ . 1]" 1
629 1 66 ARG H 1 66 ARG HG2 4.000 . 5.000 3.630 2.128 4.458 . 0 0 "[ . 1]" 1
630 1 66 ARG H 1 66 ARG HG3 4.000 . 5.000 3.606 2.041 4.554 . 0 0 "[ . 1]" 1
631 1 66 ARG H 1 66 ARG QD 4.000 . 5.000 4.207 3.666 4.764 . 0 0 "[ . 1]" 1
632 1 66 ARG H 1 67 TRP H 3.000 . 3.500 2.607 2.499 2.754 . 0 0 "[ . 1]" 1
633 1 66 ARG H 1 67 TRP QB 4.000 . 5.000 4.239 3.999 4.443 . 0 0 "[ . 1]" 1
634 1 66 ARG H 1 68 GLU H 4.000 . 5.000 4.486 4.291 4.672 . 0 0 "[ . 1]" 1
635 1 66 ARG HA 1 66 ARG HG2 4.000 . 5.000 3.043 2.518 3.756 . 0 0 "[ . 1]" 1
636 1 66 ARG HA 1 66 ARG HG3 4.000 . 5.000 3.042 2.529 3.762 . 0 0 "[ . 1]" 1
637 1 66 ARG HA 1 66 ARG QD 4.000 . 5.000 3.935 2.099 4.497 . 0 0 "[ . 1]" 1
638 1 66 ARG HA 1 67 TRP H 4.000 . 5.000 3.518 3.480 3.547 . 0 0 "[ . 1]" 1
639 1 66 ARG HA 1 69 TYR H 4.000 . 5.000 3.802 3.483 4.060 . 0 0 "[ . 1]" 1
640 1 66 ARG HA 1 69 TYR QB 4.000 . 5.000 2.736 2.254 3.175 . 0 0 "[ . 1]" 1
641 1 66 ARG HA 1 69 TYR QD 4.000 . 5.000 4.060 3.397 4.642 . 0 0 "[ . 1]" 1
642 1 66 ARG HA 1 70 GLU H 4.000 . 5.000 4.046 3.738 4.328 . 0 0 "[ . 1]" 1
643 1 66 ARG QB 1 67 TRP H 3.000 . 3.500 2.619 2.446 3.522 0.022 1 0 "[ . 1]" 1
644 1 67 TRP H 1 67 TRP HB2 4.000 . 5.000 2.434 2.065 3.038 . 0 0 "[ . 1]" 1
645 1 67 TRP H 1 67 TRP HB3 4.000 . 5.000 2.652 2.024 3.278 . 0 0 "[ . 1]" 1
646 1 67 TRP H 1 68 GLU H 3.000 . 3.500 2.883 2.739 3.006 . 0 0 "[ . 1]" 1
647 1 67 TRP H 1 69 TYR H 4.000 . 5.000 4.290 4.075 4.515 . 0 0 "[ . 1]" 1
648 1 67 TRP HA 1 67 TRP HE3 4.000 . 5.000 3.766 3.034 4.220 . 0 0 "[ . 1]" 1
649 1 67 TRP HA 1 68 GLU H 4.000 . 5.000 3.559 3.543 3.589 . 0 0 "[ . 1]" 1
650 1 67 TRP HA 1 70 GLU H 4.000 . 5.000 3.725 3.534 3.948 . 0 0 "[ . 1]" 1
651 1 67 TRP HA 1 71 VAL H 4.000 . 5.000 4.172 3.909 4.438 . 0 0 "[ . 1]" 1
652 1 67 TRP HB2 1 68 GLU H 4.000 . 5.000 3.522 3.057 3.877 . 0 0 "[ . 1]" 1
653 1 67 TRP HB3 1 68 GLU H 4.000 . 5.000 2.440 2.220 2.767 . 0 0 "[ . 1]" 1
654 1 56 TRP HZ2 1 82 LEU MD1 4.000 . 5.000 4.343 3.601 5.020 0.020 10 0 "[ . 1]" 1
655 1 56 TRP HZ2 1 82 LEU MD2 4.000 . 5.000 3.168 2.462 3.946 . 0 0 "[ . 1]" 1
656 1 56 TRP HH2 1 82 LEU MD2 4.000 . 5.000 3.320 2.267 4.206 . 0 0 "[ . 1]" 1
657 1 56 TRP HH2 1 83 VAL MG2 4.000 . 5.000 3.848 3.071 4.448 . 0 0 "[ . 1]" 1
658 1 68 GLU H 1 68 GLU HB2 4.000 . 5.000 2.397 2.139 2.526 . 0 0 "[ . 1]" 1
659 1 68 GLU H 1 68 GLU HB3 4.000 . 5.000 2.640 2.467 2.888 . 0 0 "[ . 1]" 1
660 1 68 GLU H 1 68 GLU QG 4.000 . 5.000 3.935 3.770 3.984 . 0 0 "[ . 1]" 1
661 1 68 GLU H 1 69 TYR H 4.000 . 5.000 2.790 2.653 2.926 . 0 0 "[ . 1]" 1
662 1 68 GLU H 1 69 TYR QB 4.000 . 5.000 4.478 4.307 4.665 . 0 0 "[ . 1]" 1
663 1 68 GLU H 1 70 GLU H 4.000 . 5.000 4.261 4.125 4.437 . 0 0 "[ . 1]" 1
664 1 68 GLU HA 1 68 GLU HG2 4.000 . 5.000 2.803 2.308 3.850 . 0 0 "[ . 1]" 1
665 1 68 GLU HA 1 68 GLU HG3 4.000 . 5.000 2.915 2.611 3.587 . 0 0 "[ . 1]" 1
666 1 68 GLU HA 1 69 TYR H 4.000 . 5.000 3.525 3.506 3.538 . 0 0 "[ . 1]" 1
667 1 68 GLU HA 1 71 VAL H 4.000 . 5.000 3.687 3.234 3.973 . 0 0 "[ . 1]" 1
668 1 68 GLU HA 1 71 VAL MG2 4.000 . 5.000 3.339 2.391 3.945 . 0 0 "[ . 1]" 1
669 1 68 GLU HA 1 72 LYS H 4.000 . 5.000 4.148 3.968 4.524 . 0 0 "[ . 1]" 1
670 1 68 GLU HB2 1 69 TYR H 3.000 . 3.500 3.622 3.542 3.727 0.227 5 0 "[ . 1]" 1
671 1 68 GLU HB3 1 69 TYR H 3.000 . 3.500 2.324 2.163 2.586 . 0 0 "[ . 1]" 1
672 1 68 GLU QG 1 72 LYS H 4.000 . 5.000 4.263 3.922 4.955 . 0 0 "[ . 1]" 1
673 1 69 TYR H 1 69 TYR HA 3.000 . 3.500 2.780 2.761 2.803 . 0 0 "[ . 1]" 1
674 1 69 TYR H 1 69 TYR QB 2.500 . 2.900 2.233 2.193 2.272 . 0 0 "[ . 1]" 1
675 1 69 TYR H 1 69 TYR QD 4.000 . 5.000 4.172 4.122 4.202 . 0 0 "[ . 1]" 1
676 1 69 TYR H 1 70 GLU H 2.500 . 2.900 2.815 2.740 2.905 0.005 2 0 "[ . 1]" 1
677 1 69 TYR H 1 71 VAL H 4.000 . 5.000 4.376 4.099 4.785 . 0 0 "[ . 1]" 1
678 1 69 TYR HA 1 69 TYR QD 4.000 . 5.000 2.622 2.134 2.938 . 0 0 "[ . 1]" 1
679 1 69 TYR HA 1 69 TYR QE 4.000 . 5.000 4.570 4.330 4.707 . 0 0 "[ . 1]" 1
680 1 69 TYR HA 1 70 GLU H 4.000 . 5.000 3.548 3.514 3.577 . 0 0 "[ . 1]" 1
681 1 69 TYR HA 1 72 LYS H 4.000 . 5.000 3.641 3.412 3.898 . 0 0 "[ . 1]" 1
682 1 69 TYR HA 1 72 LYS QB 4.000 . 5.000 2.850 2.254 3.820 . 0 0 "[ . 1]" 1
683 1 69 TYR HA 1 73 HIS H 4.000 . 5.000 4.501 4.213 4.685 . 0 0 "[ . 1]" 1
684 1 69 TYR QB 1 69 TYR QE 4.000 . 5.000 3.936 3.924 3.957 . 0 0 "[ . 1]" 1
685 1 69 TYR QB 1 70 GLU H 3.000 . 3.500 2.522 2.363 2.800 . 0 0 "[ . 1]" 1
686 1 69 TYR QD 1 70 GLU H 4.000 . 5.000 3.639 3.158 4.386 . 0 0 "[ . 1]" 1
687 1 69 TYR QD 1 70 GLU QG 4.000 . 5.000 3.714 2.670 5.042 0.042 10 0 "[ . 1]" 1
688 1 69 TYR QD 1 72 LYS QB 4.000 . 5.000 4.216 3.130 5.105 0.105 9 0 "[ . 1]" 1
689 1 69 TYR QD 1 72 LYS QD 4.000 . 5.000 4.027 2.450 5.070 0.070 10 0 "[ . 1]" 1
690 1 69 TYR QD 1 73 HIS HE1 4.000 . 5.000 4.880 4.263 5.091 0.091 9 0 "[ . 1]" 1
691 1 69 TYR QE 1 73 HIS HE1 4.000 . 5.000 3.339 2.453 4.771 . 0 0 "[ . 1]" 1
692 1 70 GLU H 1 70 GLU HB2 3.000 . 3.500 2.368 2.091 2.528 . 0 0 "[ . 1]" 1
693 1 70 GLU H 1 70 GLU HB3 4.000 . 5.000 3.270 2.598 3.621 . 0 0 "[ . 1]" 1
694 1 70 GLU H 1 70 GLU QG 4.000 . 5.000 2.995 2.221 3.970 . 0 0 "[ . 1]" 1
695 1 70 GLU H 1 71 VAL H 4.000 . 5.000 2.718 2.539 2.831 . 0 0 "[ . 1]" 1
696 1 70 GLU H 1 71 VAL MG2 4.000 . 5.000 4.127 3.897 4.257 . 0 0 "[ . 1]" 1
697 1 70 GLU H 1 72 LYS H 4.000 . 5.000 4.058 3.651 4.253 . 0 0 "[ . 1]" 1
698 1 70 GLU HA 1 71 VAL H 4.000 . 5.000 3.558 3.527 3.592 . 0 0 "[ . 1]" 1
699 1 70 GLU HA 1 73 HIS H 4.000 . 5.000 3.400 2.956 3.728 . 0 0 "[ . 1]" 1
700 1 70 GLU HA 1 73 HIS QB 4.000 . 5.000 2.943 1.802 4.714 . 0 0 "[ . 1]" 1
701 1 70 GLU HB2 1 71 VAL H 4.000 . 5.000 3.012 2.209 3.845 . 0 0 "[ . 1]" 1
702 1 70 GLU HB3 1 71 VAL H 4.000 . 5.000 3.111 2.367 3.657 . 0 0 "[ . 1]" 1
703 1 70 GLU QB 1 74 LEU HG 4.000 . 5.000 3.772 3.049 4.413 . 0 0 "[ . 1]" 1
704 1 70 GLU QB 1 74 LEU MD1 4.000 . 5.000 3.797 2.847 5.086 0.086 1 0 "[ . 1]" 1
705 1 70 GLU QG 1 71 VAL H 4.000 . 5.000 4.064 3.601 4.556 . 0 0 "[ . 1]" 1
706 1 71 VAL H 1 71 VAL HB 3.000 . 3.500 2.556 2.472 2.658 . 0 0 "[ . 1]" 1
707 1 71 VAL H 1 71 VAL MG1 4.000 . 5.000 3.775 3.765 3.786 . 0 0 "[ . 1]" 1
708 1 71 VAL H 1 71 VAL MG2 4.000 . 5.000 2.060 1.899 2.216 . 0 0 "[ . 1]" 1
709 1 71 VAL H 1 72 LYS H 2.500 . 2.900 2.675 2.491 2.796 . 0 0 "[ . 1]" 1
710 1 71 VAL H 1 73 HIS H 4.000 . 5.000 4.085 3.673 4.527 . 0 0 "[ . 1]" 1
711 1 71 VAL H 1 74 LEU HG 4.000 . 5.000 4.064 3.715 5.033 0.033 7 0 "[ . 1]" 1
712 1 71 VAL H 1 74 LEU MD1 4.000 . 5.000 3.971 3.401 4.755 . 0 0 "[ . 1]" 1
713 1 71 VAL H 1 82 LEU MD1 4.000 . 5.000 5.000 4.899 5.149 0.149 6 0 "[ . 1]" 1
714 1 71 VAL HA 1 72 LYS H 4.000 . 5.000 3.517 3.458 3.571 . 0 0 "[ . 1]" 1
715 1 71 VAL HA 1 73 HIS H 4.000 . 5.000 4.103 3.719 4.666 . 0 0 "[ . 1]" 1
716 1 71 VAL HA 1 74 LEU H 4.000 . 5.000 3.276 3.103 3.650 . 0 0 "[ . 1]" 1
717 1 71 VAL HA 1 74 LEU HG 4.000 . 5.000 2.202 1.700 3.663 0.100 5 0 "[ . 1]" 1
718 1 71 VAL HA 1 74 LEU MD1 4.000 . 5.000 1.909 1.769 2.276 0.031 7 0 "[ . 1]" 1
719 1 71 VAL HA 1 74 LEU MD2 4.000 . 5.000 3.572 2.259 4.313 . 0 0 "[ . 1]" 1
720 1 71 VAL HB 1 72 LYS H 4.000 . 5.000 2.748 2.527 2.978 . 0 0 "[ . 1]" 1
721 1 71 VAL MG1 1 72 LYS H 4.000 . 5.000 3.540 3.322 3.816 . 0 0 "[ . 1]" 1
722 1 71 VAL MG2 1 72 LYS H 4.000 . 5.000 3.863 3.764 3.957 . 0 0 "[ . 1]" 1
723 1 71 VAL MG1 1 74 LEU MD1 4.000 . 5.000 2.538 2.065 3.273 . 0 0 "[ . 1]" 1
724 1 71 VAL MG2 1 74 LEU MD1 4.000 . 5.000 2.544 2.126 3.355 . 0 0 "[ . 1]" 1
725 1 71 VAL MG1 1 79 LYS HE2 4.000 . 5.000 4.042 3.113 5.043 0.043 7 0 "[ . 1]" 1
726 1 71 VAL MG1 1 79 LYS HE3 4.000 . 5.000 3.890 2.482 5.028 0.028 7 0 "[ . 1]" 1
727 1 71 VAL MG1 1 82 LEU MD1 4.000 . 5.000 2.739 2.145 3.319 . 0 0 "[ . 1]" 1
728 1 71 VAL MG1 1 82 LEU MD2 4.000 . 5.000 3.681 1.990 5.023 0.023 5 0 "[ . 1]" 1
729 1 71 VAL MG2 1 82 LEU MD1 4.000 . 5.000 2.262 2.015 2.595 . 0 0 "[ . 1]" 1
730 1 71 VAL MG2 1 82 LEU MD2 4.000 . 5.000 3.381 2.430 4.199 . 0 0 "[ . 1]" 1
731 1 72 LYS H 1 72 LYS HB2 4.000 . 5.000 2.511 2.200 3.640 . 0 0 "[ . 1]" 1
732 1 72 LYS H 1 72 LYS HB3 4.000 . 5.000 3.074 2.373 3.602 . 0 0 "[ . 1]" 1
733 1 72 LYS H 1 72 LYS QG 4.000 . 5.000 3.042 2.159 4.037 . 0 0 "[ . 1]" 1
734 1 72 LYS H 1 73 HIS H 4.000 . 5.000 2.645 2.448 2.852 . 0 0 "[ . 1]" 1
735 1 72 LYS H 1 74 LEU H 4.000 . 5.000 3.964 3.760 4.271 . 0 0 "[ . 1]" 1
736 1 72 LYS HA 1 72 LYS QD 4.000 . 5.000 3.705 2.154 4.508 . 0 0 "[ . 1]" 1
737 1 72 LYS HA 1 73 HIS H 4.000 . 5.000 3.497 3.342 3.562 . 0 0 "[ . 1]" 1
738 1 72 LYS HB2 1 72 LYS QE 4.000 . 5.000 3.486 1.750 4.545 0.050 3 0 "[ . 1]" 1
739 1 72 LYS HB3 1 72 LYS QE 4.000 . 5.000 3.660 2.641 4.121 . 0 0 "[ . 1]" 1
740 1 72 LYS HB2 1 73 HIS H 4.000 . 5.000 3.361 2.591 4.218 . 0 0 "[ . 1]" 1
741 1 72 LYS HB3 1 73 HIS H 4.000 . 5.000 3.293 2.447 4.173 . 0 0 "[ . 1]" 1
742 1 72 LYS QG 1 73 HIS H 4.000 . 5.000 3.934 2.784 4.495 . 0 0 "[ . 1]" 1
743 1 72 LYS QG 1 73 HIS HD2 4.000 . 5.000 4.468 2.956 5.049 0.049 9 0 "[ . 1]" 1
744 1 73 HIS H 1 73 HIS HB2 4.000 . 5.000 2.472 2.078 3.752 . 0 0 "[ . 1]" 1
745 1 73 HIS H 1 73 HIS HB3 4.000 . 5.000 3.404 2.642 3.641 . 0 0 "[ . 1]" 1
746 1 73 HIS H 1 74 LEU H 3.000 . 3.500 2.423 2.169 2.552 . 0 0 "[ . 1]" 1
747 1 73 HIS H 1 74 LEU QB 4.000 . 5.000 4.452 3.997 4.977 . 0 0 "[ . 1]" 1
748 1 73 HIS H 1 74 LEU HG 4.000 . 5.000 3.959 3.621 4.932 . 0 0 "[ . 1]" 1
749 1 73 HIS HA 1 74 LEU H 4.000 . 5.000 3.325 3.187 3.557 . 0 0 "[ . 1]" 1
750 1 73 HIS HB2 1 73 HIS HD2 4.000 . 5.000 3.508 3.044 3.915 . 0 0 "[ . 1]" 1
751 1 73 HIS HB3 1 73 HIS HD2 4.000 . 5.000 3.700 2.728 3.982 . 0 0 "[ . 1]" 1
752 1 73 HIS HB2 1 74 LEU H 4.000 . 5.000 3.593 2.993 4.413 . 0 0 "[ . 1]" 1
753 1 73 HIS HB3 1 74 LEU H 4.000 . 5.000 3.920 2.922 4.552 . 0 0 "[ . 1]" 1
754 1 74 LEU H 1 74 LEU HB2 4.000 . 5.000 2.498 2.022 3.577 . 0 0 "[ . 1]" 1
755 1 74 LEU H 1 74 LEU HB3 4.000 . 5.000 3.500 2.895 3.615 . 0 0 "[ . 1]" 1
756 1 74 LEU H 1 74 LEU HG 4.000 . 5.000 2.555 1.786 3.251 0.014 1 0 "[ . 1]" 1
757 1 74 LEU H 1 74 LEU MD1 4.000 . 5.000 3.693 2.929 3.901 . 0 0 "[ . 1]" 1
758 1 74 LEU H 1 74 LEU MD2 4.000 . 5.000 3.485 2.899 4.106 . 0 0 "[ . 1]" 1
759 1 74 LEU H 1 75 SER H 4.000 . 5.000 4.573 4.498 4.644 . 0 0 "[ . 1]" 1
760 1 74 LEU HA 1 74 LEU HG 4.000 . 5.000 3.086 2.547 3.652 . 0 0 "[ . 1]" 1
761 1 74 LEU HA 1 74 LEU MD1 4.000 . 5.000 3.795 3.649 3.856 . 0 0 "[ . 1]" 1
762 1 74 LEU HA 1 74 LEU MD2 4.000 . 5.000 2.179 1.812 4.047 . 0 0 "[ . 1]" 1
763 1 74 LEU HA 1 75 SER H 3.000 . 3.500 2.276 2.139 2.669 . 0 0 "[ . 1]" 1
764 1 74 LEU HB2 1 75 SER H 4.000 . 5.000 3.845 2.697 4.342 . 0 0 "[ . 1]" 1
765 1 74 LEU HB3 1 75 SER H 4.000 . 5.000 2.929 1.982 3.660 . 0 0 "[ . 1]" 1
766 1 74 LEU QB 1 78 LYS H 4.000 . 5.000 4.041 3.867 4.353 . 0 0 "[ . 1]" 1
767 1 74 LEU QB 1 78 LYS HA 4.000 . 5.000 4.563 4.033 4.978 . 0 0 "[ . 1]" 1
768 1 74 LEU QB 1 78 LYS HB2 4.000 . 5.000 2.908 2.124 3.932 . 0 0 "[ . 1]" 1
769 1 74 LEU QB 1 78 LYS HB3 4.000 . 5.000 2.050 1.754 2.386 0.046 3 0 "[ . 1]" 1
770 1 74 LEU QB 1 79 LYS H 4.000 . 5.000 3.452 2.884 4.484 . 0 0 "[ . 1]" 1
771 1 74 LEU QB 1 79 LYS HA 4.000 . 5.000 3.941 3.446 5.291 0.291 7 0 "[ . 1]" 1
772 1 74 LEU QB 1 82 LEU QB 4.000 . 5.000 5.039 4.745 5.180 0.180 7 0 "[ . 1]" 1
773 1 74 LEU MD2 1 75 SER H 4.000 . 5.000 3.356 2.568 4.758 . 0 0 "[ . 1]" 1
774 1 74 LEU MD2 1 78 LYS H 4.000 . 5.000 4.789 3.761 5.041 0.041 8 0 "[ . 1]" 1
775 1 74 LEU MD1 1 78 LYS HB2 4.000 . 5.000 3.697 1.708 4.551 0.092 7 0 "[ . 1]" 1
776 1 74 LEU MD1 1 78 LYS HB3 4.000 . 5.000 2.590 1.862 3.233 . 0 0 "[ . 1]" 1
777 1 74 LEU MD2 1 78 LYS HB2 4.000 . 5.000 3.138 1.926 4.176 . 0 0 "[ . 1]" 1
778 1 74 LEU MD2 1 78 LYS HB3 4.000 . 5.000 2.498 1.783 2.933 0.017 5 0 "[ . 1]" 1
779 1 74 LEU MD2 1 78 LYS HG2 4.000 . 5.000 2.647 1.739 4.091 0.061 6 0 "[ . 1]" 1
780 1 74 LEU MD2 1 78 LYS HG3 4.000 . 5.000 3.049 1.777 4.249 0.023 3 0 "[ . 1]" 1
781 1 74 LEU MD1 1 78 LYS QD 4.000 . 5.000 3.614 1.779 4.751 0.021 3 0 "[ . 1]" 1
782 1 74 LEU MD2 1 78 LYS QD 4.000 . 5.000 2.983 1.763 4.096 0.037 5 0 "[ . 1]" 1
783 1 74 LEU MD2 1 78 LYS QE 4.000 . 5.000 3.540 2.756 5.132 0.132 7 0 "[ . 1]" 1
784 1 74 LEU MD1 1 79 LYS H 4.000 . 5.000 4.086 2.706 5.060 0.060 7 0 "[ . 1]" 1
785 1 74 LEU MD2 1 79 LYS H 4.000 . 5.000 4.853 4.110 5.081 0.081 7 0 "[ . 1]" 1
786 1 74 LEU MD1 1 79 LYS HA 4.000 . 5.000 3.443 2.262 5.023 0.023 7 0 "[ . 1]" 1
787 1 74 LEU MD1 1 82 LEU H 4.000 . 5.000 4.749 4.382 5.103 0.103 7 0 "[ . 1]" 1
788 1 74 LEU MD1 1 82 LEU MD1 4.000 . 5.000 2.530 1.839 3.493 . 0 0 "[ . 1]" 1
789 1 74 LEU MD1 1 82 LEU MD2 4.000 . 5.000 3.977 3.196 4.802 . 0 0 "[ . 1]" 1
790 1 75 SER H 1 75 SER QB 3.000 . 3.500 2.480 2.211 2.735 . 0 0 "[ . 1]" 1
791 1 75 SER H 1 77 ARG H 4.000 . 5.000 5.038 4.888 5.156 0.156 7 0 "[ . 1]" 1
792 1 75 SER H 1 78 LYS H 4.000 . 5.000 3.827 3.344 4.336 . 0 0 "[ . 1]" 1
793 1 75 SER H 1 78 LYS QB 4.000 . 5.000 2.724 2.260 3.191 . 0 0 "[ . 1]" 1
794 1 75 SER H 1 78 LYS QG 4.000 . 5.000 4.151 3.495 5.060 0.060 8 0 "[ . 1]" 1
795 1 75 SER H 1 78 LYS QD 4.000 . 5.000 4.136 2.439 5.081 0.081 3 0 "[ . 1]" 1
796 1 75 SER HA 1 76 ARG H 4.000 . 5.000 2.506 2.366 2.711 . 0 0 "[ . 1]" 1
797 1 75 SER HA 1 78 LYS H 4.000 . 5.000 4.767 4.542 5.023 0.023 6 0 "[ . 1]" 1
798 1 75 SER QB 1 76 ARG H 4.000 . 5.000 2.658 2.006 3.332 . 0 0 "[ . 1]" 1
799 1 75 SER QB 1 77 ARG H 4.000 . 5.000 3.013 2.619 3.518 . 0 0 "[ . 1]" 1
800 1 75 SER QB 1 77 ARG QB 4.000 . 5.000 3.595 2.863 4.076 . 0 0 "[ . 1]" 1
801 1 75 SER QB 1 78 LYS H 4.000 . 5.000 3.240 2.710 4.036 . 0 0 "[ . 1]" 1
802 1 76 ARG H 1 76 ARG HB2 4.000 . 5.000 2.635 2.154 3.641 . 0 0 "[ . 1]" 1
803 1 76 ARG H 1 76 ARG HB3 4.000 . 5.000 3.159 2.572 3.621 . 0 0 "[ . 1]" 1
804 1 76 ARG H 1 76 ARG QG 4.000 . 5.000 2.947 1.944 3.996 . 0 0 "[ . 1]" 1
805 1 76 ARG H 1 76 ARG QD 4.000 . 5.000 3.718 1.845 4.512 . 0 0 "[ . 1]" 1
806 1 76 ARG H 1 77 ARG H 4.000 . 5.000 2.843 2.689 3.274 . 0 0 "[ . 1]" 1
807 1 76 ARG HA 1 76 ARG HG2 4.000 . 5.000 2.992 2.322 3.883 . 0 0 "[ . 1]" 1
808 1 76 ARG HA 1 76 ARG HG3 4.000 . 5.000 3.113 2.340 3.757 . 0 0 "[ . 1]" 1
809 1 76 ARG HA 1 76 ARG QD 4.000 . 5.000 3.604 2.449 4.527 . 0 0 "[ . 1]" 1
810 1 76 ARG HA 1 77 ARG H 4.000 . 5.000 3.538 3.492 3.584 . 0 0 "[ . 1]" 1
811 1 76 ARG HA 1 79 LYS H 4.000 . 5.000 3.490 3.131 3.759 . 0 0 "[ . 1]" 1
812 1 76 ARG HA 1 79 LYS QB 4.000 . 5.000 2.646 2.087 3.364 . 0 0 "[ . 1]" 1
813 1 76 ARG HA 1 79 LYS HD2 4.000 . 5.000 3.458 2.602 4.576 . 0 0 "[ . 1]" 1
814 1 76 ARG HA 1 79 LYS HD3 4.000 . 5.000 4.123 2.836 5.118 0.118 6 0 "[ . 1]" 1
815 1 76 ARG HA 1 80 GLU H 4.000 . 5.000 4.056 3.670 4.856 . 0 0 "[ . 1]" 1
816 1 76 ARG QB 1 77 ARG H 4.000 . 5.000 2.786 2.301 3.402 . 0 0 "[ . 1]" 1
817 1 76 ARG QB 1 80 GLU QB 4.000 . 5.000 4.708 4.158 5.086 0.086 1 0 "[ . 1]" 1
818 1 76 ARG QG 1 77 ARG H 4.000 . 5.000 3.813 1.932 4.656 . 0 0 "[ . 1]" 1
819 1 77 ARG H 1 77 ARG HB2 3.000 . 3.500 2.605 2.300 3.563 0.063 3 0 "[ . 1]" 1
820 1 77 ARG H 1 77 ARG HB3 3.000 . 3.500 2.599 2.454 2.849 . 0 0 "[ . 1]" 1
821 1 77 ARG H 1 77 ARG QG 4.000 . 5.000 3.777 1.906 4.088 . 0 0 "[ . 1]" 1
822 1 77 ARG H 1 77 ARG QD 4.000 . 5.000 4.402 3.687 4.742 . 0 0 "[ . 1]" 1
823 1 77 ARG H 1 78 LYS H 4.000 . 5.000 2.663 2.541 2.796 . 0 0 "[ . 1]" 1
824 1 77 ARG H 1 79 LYS H 4.000 . 5.000 4.074 3.924 4.341 . 0 0 "[ . 1]" 1
825 1 77 ARG HA 1 77 ARG QD 4.000 . 5.000 3.663 1.778 4.276 0.022 10 0 "[ . 1]" 1
826 1 77 ARG HA 1 78 LYS H 4.000 . 5.000 3.511 3.373 3.557 . 0 0 "[ . 1]" 1
827 1 77 ARG HA 1 80 GLU H 4.000 . 5.000 3.493 3.155 3.708 . 0 0 "[ . 1]" 1
828 1 77 ARG HA 1 80 GLU HB2 4.000 . 5.000 3.144 2.399 3.822 . 0 0 "[ . 1]" 1
829 1 77 ARG HA 1 80 GLU HB3 4.000 . 5.000 3.542 2.435 4.695 . 0 0 "[ . 1]" 1
830 1 77 ARG HA 1 81 GLN H 4.000 . 5.000 4.117 3.876 4.547 . 0 0 "[ . 1]" 1
831 1 77 ARG HB2 1 78 LYS H 4.000 . 5.000 3.906 3.721 4.198 . 0 0 "[ . 1]" 1
832 1 77 ARG HB3 1 78 LYS H 4.000 . 5.000 2.860 2.465 4.133 . 0 0 "[ . 1]" 1
833 1 77 ARG QG 1 78 LYS H 4.000 . 5.000 3.655 2.434 4.120 . 0 0 "[ . 1]" 1
834 1 77 ARG QG 1 78 LYS HA 4.000 . 5.000 3.758 3.484 4.180 . 0 0 "[ . 1]" 1
835 1 77 ARG QG 1 80 GLU QB 4.000 . 5.000 3.901 2.848 5.110 0.110 3 0 "[ . 1]" 1
836 1 78 LYS H 1 78 LYS HB2 4.000 . 5.000 2.430 2.093 3.494 . 0 0 "[ . 1]" 1
837 1 78 LYS H 1 78 LYS HB3 4.000 . 5.000 2.969 2.205 3.523 . 0 0 "[ . 1]" 1
838 1 78 LYS H 1 78 LYS HG2 4.000 . 5.000 4.219 3.497 4.655 . 0 0 "[ . 1]" 1
839 1 78 LYS H 1 78 LYS HG3 4.000 . 5.000 4.240 3.273 4.555 . 0 0 "[ . 1]" 1
840 1 78 LYS H 1 78 LYS QD 4.000 . 5.000 3.644 2.334 4.487 . 0 0 "[ . 1]" 1
841 1 78 LYS H 1 79 LYS H 3.000 . 3.500 2.464 2.327 2.673 . 0 0 "[ . 1]" 1
842 1 78 LYS H 1 80 GLU H 4.000 . 5.000 3.964 3.739 4.063 . 0 0 "[ . 1]" 1
843 1 78 LYS H 1 81 GLN H 4.000 . 5.000 4.488 4.234 4.648 . 0 0 "[ . 1]" 1
844 1 78 LYS HA 1 78 LYS HG2 4.000 . 5.000 3.192 2.407 3.669 . 0 0 "[ . 1]" 1
845 1 78 LYS HA 1 78 LYS HG3 4.000 . 5.000 2.922 2.311 4.192 . 0 0 "[ . 1]" 1
846 1 78 LYS HA 1 78 LYS QD 4.000 . 5.000 2.838 1.827 4.004 . 0 0 "[ . 1]" 1
847 1 78 LYS HA 1 79 LYS H 4.000 . 5.000 3.504 3.460 3.545 . 0 0 "[ . 1]" 1
848 1 78 LYS HA 1 81 GLN H 4.000 . 5.000 3.144 2.974 3.371 . 0 0 "[ . 1]" 1
849 1 78 LYS HA 1 81 GLN QB 4.000 . 5.000 2.296 1.865 2.577 . 0 0 "[ . 1]" 1
850 1 78 LYS QB 1 79 LYS H 3.000 . 3.500 2.817 2.663 3.324 . 0 0 "[ . 1]" 1
851 1 78 LYS QB 1 82 LEU QB 4.000 . 5.000 4.819 4.090 5.081 0.081 5 0 "[ . 1]" 1
852 1 78 LYS QG 1 79 LYS H 4.000 . 5.000 4.164 2.630 4.662 . 0 0 "[ . 1]" 1
853 1 78 LYS QG 1 82 LEU MD1 4.000 . 5.000 4.564 3.745 5.083 0.083 5 0 "[ . 1]" 1
854 1 79 LYS H 1 79 LYS QG 4.000 . 5.000 3.131 2.200 3.982 . 0 0 "[ . 1]" 1
855 1 79 LYS H 1 80 GLU H 4.000 . 5.000 2.579 2.298 2.683 . 0 0 "[ . 1]" 1
856 1 79 LYS HA 1 79 LYS HD2 4.000 . 5.000 4.552 4.161 4.854 . 0 0 "[ . 1]" 1
857 1 79 LYS HA 1 79 LYS HD3 4.000 . 5.000 4.538 4.180 4.791 . 0 0 "[ . 1]" 1
858 1 79 LYS HA 1 80 GLU H 4.000 . 5.000 3.526 3.476 3.544 . 0 0 "[ . 1]" 1
859 1 79 LYS HA 1 81 GLN H 4.000 . 5.000 4.336 4.115 4.526 . 0 0 "[ . 1]" 1
860 1 79 LYS HA 1 82 LEU H 4.000 . 5.000 3.336 3.027 3.571 . 0 0 "[ . 1]" 1
861 1 79 LYS HA 1 82 LEU HB2 4.000 . 5.000 2.800 2.243 3.326 . 0 0 "[ . 1]" 1
862 1 79 LYS HA 1 82 LEU HB3 4.000 . 5.000 3.494 2.637 4.264 . 0 0 "[ . 1]" 1
863 1 79 LYS HA 1 82 LEU MD2 4.000 . 5.000 4.350 3.235 4.986 . 0 0 "[ . 1]" 1
864 1 79 LYS HB2 1 80 GLU H 4.000 . 5.000 3.163 2.553 3.818 . 0 0 "[ . 1]" 1
865 1 79 LYS HB3 1 80 GLU H 4.000 . 5.000 3.109 2.441 3.709 . 0 0 "[ . 1]" 1
866 1 79 LYS QB 1 80 GLU QB 4.000 . 5.000 4.167 3.756 4.545 . 0 0 "[ . 1]" 1
867 1 79 LYS QG 1 80 GLU H 4.000 . 5.000 4.024 3.603 4.307 . 0 0 "[ . 1]" 1
868 1 80 GLU H 1 80 GLU HB2 4.000 . 5.000 2.468 2.370 2.610 . 0 0 "[ . 1]" 1
869 1 80 GLU H 1 80 GLU HB3 4.000 . 5.000 3.050 2.365 3.595 . 0 0 "[ . 1]" 1
870 1 80 GLU H 1 80 GLU HG2 4.000 . 5.000 3.880 2.457 4.507 . 0 0 "[ . 1]" 1
871 1 80 GLU H 1 80 GLU HG3 4.000 . 5.000 3.482 2.075 4.500 . 0 0 "[ . 1]" 1
872 1 80 GLU H 1 81 GLN H 3.000 . 3.500 2.613 2.561 2.661 . 0 0 "[ . 1]" 1
873 1 80 GLU H 1 82 LEU H 4.000 . 5.000 4.074 3.956 4.268 . 0 0 "[ . 1]" 1
874 1 80 GLU HA 1 81 GLN H 4.000 . 5.000 3.528 3.512 3.543 . 0 0 "[ . 1]" 1
875 1 80 GLU HA 1 83 VAL H 4.000 . 5.000 3.407 3.079 4.143 . 0 0 "[ . 1]" 1
876 1 80 GLU HA 1 83 VAL HB 4.000 . 5.000 2.880 2.077 3.788 . 0 0 "[ . 1]" 1
877 1 80 GLU HA 1 83 VAL MG1 4.000 . 5.000 4.233 3.449 5.006 0.006 7 0 "[ . 1]" 1
878 1 80 GLU HA 1 83 VAL MG2 4.000 . 5.000 3.230 2.538 4.022 . 0 0 "[ . 1]" 1
879 1 80 GLU HB2 1 81 GLN H 4.000 . 5.000 3.245 2.471 3.895 . 0 0 "[ . 1]" 1
880 1 80 GLU HB3 1 81 GLN H 4.000 . 5.000 3.113 2.537 3.682 . 0 0 "[ . 1]" 1
881 1 81 GLN H 1 81 GLN QB 3.000 . 3.500 2.255 2.209 2.356 . 0 0 "[ . 1]" 1
882 1 81 GLN H 1 81 GLN HG2 4.000 . 5.000 4.113 2.413 4.619 . 0 0 "[ . 1]" 1
883 1 81 GLN H 1 81 GLN HG3 4.000 . 5.000 4.319 3.743 4.513 . 0 0 "[ . 1]" 1
884 1 81 GLN H 1 82 LEU H 4.000 . 5.000 2.665 2.541 2.817 . 0 0 "[ . 1]" 1
885 1 81 GLN H 1 83 VAL H 4.000 . 5.000 4.131 3.793 4.358 . 0 0 "[ . 1]" 1
886 1 81 GLN H 1 84 SER H 4.000 . 5.000 4.673 4.568 4.828 . 0 0 "[ . 1]" 1
887 1 81 GLN HA 1 81 GLN HG2 4.000 . 5.000 3.291 2.763 3.824 . 0 0 "[ . 1]" 1
888 1 81 GLN HA 1 81 GLN HG3 4.000 . 5.000 3.054 2.646 3.694 . 0 0 "[ . 1]" 1
889 1 81 GLN HA 1 82 LEU H 3.000 . 3.500 3.518 3.500 3.536 0.036 3 0 "[ . 1]" 1
890 1 81 GLN QB 1 81 GLN HE21 4.000 . 5.000 3.306 1.791 4.012 0.009 9 0 "[ . 1]" 1
891 1 81 GLN QB 1 81 GLN HE22 4.000 . 5.000 3.974 3.376 4.437 . 0 0 "[ . 1]" 1
892 1 81 GLN QB 1 82 LEU H 4.000 . 5.000 2.534 2.313 2.667 . 0 0 "[ . 1]" 1
893 1 81 GLN QB 1 82 LEU MD1 4.000 . 5.000 4.917 4.620 5.107 0.107 10 0 "[ . 1]" 1
894 1 81 GLN HE22 1 81 GLN HG2 4.000 . 5.000 3.745 3.468 4.052 . 0 0 "[ . 1]" 1
895 1 81 GLN HE22 1 81 GLN HG3 4.000 . 5.000 3.714 3.479 4.076 . 0 0 "[ . 1]" 1
896 1 81 GLN QG 1 82 LEU H 4.000 . 5.000 3.733 3.365 4.219 . 0 0 "[ . 1]" 1
897 1 82 LEU H 1 82 LEU HA 3.000 . 3.500 2.803 2.765 2.842 . 0 0 "[ . 1]" 1
898 1 82 LEU H 1 82 LEU HB2 4.000 . 5.000 2.275 2.113 2.385 . 0 0 "[ . 1]" 1
899 1 82 LEU H 1 82 LEU HB3 4.000 . 5.000 3.029 2.568 3.557 . 0 0 "[ . 1]" 1
900 1 82 LEU H 1 82 LEU HG 4.000 . 5.000 3.695 2.572 4.497 . 0 0 "[ . 1]" 1
901 1 82 LEU H 1 82 LEU MD1 4.000 . 5.000 3.890 3.477 4.078 . 0 0 "[ . 1]" 1
902 1 82 LEU H 1 82 LEU MD2 4.000 . 5.000 4.024 3.525 4.339 . 0 0 "[ . 1]" 1
903 1 82 LEU H 1 83 VAL H 3.000 . 3.500 2.680 2.503 2.854 . 0 0 "[ . 1]" 1
904 1 82 LEU H 1 83 VAL HB 4.000 . 5.000 4.868 4.566 5.047 0.047 7 0 "[ . 1]" 1
905 1 82 LEU H 1 84 SER H 4.000 . 5.000 4.002 3.822 4.381 . 0 0 "[ . 1]" 1
906 1 82 LEU HA 1 82 LEU HG 4.000 . 5.000 2.683 2.368 2.995 . 0 0 "[ . 1]" 1
907 1 82 LEU HA 1 82 LEU MD1 4.000 . 5.000 3.361 2.169 3.845 . 0 0 "[ . 1]" 1
908 1 82 LEU HA 1 82 LEU MD2 4.000 . 5.000 2.804 1.797 3.904 0.003 5 0 "[ . 1]" 1
909 1 82 LEU HA 1 83 VAL H 4.000 . 5.000 3.522 3.459 3.553 . 0 0 "[ . 1]" 1
910 1 82 LEU HA 1 85 LEU MD1 4.000 . 5.000 3.744 1.946 5.032 0.032 9 0 "[ . 1]" 1
911 1 82 LEU HB2 1 83 VAL H 4.000 . 5.000 3.372 2.789 3.791 . 0 0 "[ . 1]" 1
912 1 82 LEU HB3 1 83 VAL H 4.000 . 5.000 2.971 2.434 3.746 . 0 0 "[ . 1]" 1
913 1 82 LEU QB 1 83 VAL HA 4.000 . 5.000 4.038 3.855 4.155 . 0 0 "[ . 1]" 1
914 1 82 LEU QB 1 83 VAL HB 4.000 . 5.000 4.641 4.520 4.923 . 0 0 "[ . 1]" 1
915 1 82 LEU HB2 1 83 VAL MG2 4.000 . 5.000 4.078 3.337 4.606 . 0 0 "[ . 1]" 1
916 1 82 LEU HB3 1 83 VAL MG2 4.000 . 5.000 3.373 2.810 4.063 . 0 0 "[ . 1]" 1
917 1 83 VAL H 1 83 VAL HB 3.000 . 3.500 2.446 2.317 2.510 . 0 0 "[ . 1]" 1
918 1 83 VAL H 1 83 VAL MG1 4.000 . 5.000 3.759 3.723 3.781 . 0 0 "[ . 1]" 1
919 1 83 VAL H 1 83 VAL MG2 4.000 . 5.000 2.261 2.138 2.516 . 0 0 "[ . 1]" 1
920 1 83 VAL HA 1 84 SER H 4.000 . 5.000 3.485 3.312 3.566 . 0 0 "[ . 1]" 1
921 1 83 VAL HA 1 86 LYS H 4.000 . 5.000 3.394 3.113 3.715 . 0 0 "[ . 1]" 1
922 1 83 VAL HA 1 86 LYS QB 4.000 . 5.000 3.335 2.757 4.601 . 0 0 "[ . 1]" 1
923 1 83 VAL HA 1 86 LYS QD 4.000 . 5.000 4.428 3.866 4.989 . 0 0 "[ . 1]" 1
924 1 83 VAL HB 1 84 SER H 3.000 . 3.500 2.904 2.593 3.526 0.026 2 0 "[ . 1]" 1
925 1 83 VAL MG1 1 84 SER H 4.000 . 5.000 3.565 3.093 3.878 . 0 0 "[ . 1]" 1
926 1 83 VAL MG2 1 84 SER H 4.000 . 5.000 3.956 3.784 4.222 . 0 0 "[ . 1]" 1
927 1 83 VAL MG1 1 84 SER HA 4.000 . 5.000 3.537 3.080 3.720 . 0 0 "[ . 1]" 1
928 1 83 VAL MG1 1 86 LYS H 4.000 . 5.000 4.119 3.590 4.575 . 0 0 "[ . 1]" 1
929 1 83 VAL MG2 1 86 LYS H 4.000 . 5.000 5.119 5.008 5.211 0.211 10 0 "[ . 1]" 1
930 1 84 SER H 1 84 SER QB 3.000 . 3.500 2.440 2.248 2.506 . 0 0 "[ . 1]" 1
931 1 84 SER H 1 85 LEU H 3.000 . 3.500 2.555 2.460 2.763 . 0 0 "[ . 1]" 1
932 1 84 SER H 1 85 LEU QB 4.000 . 5.000 4.460 4.227 4.659 . 0 0 "[ . 1]" 1
933 1 84 SER H 1 86 LYS H 4.000 . 5.000 4.112 3.905 4.430 . 0 0 "[ . 1]" 1
934 1 84 SER HA 1 85 LEU H 4.000 . 5.000 3.401 3.214 3.527 . 0 0 "[ . 1]" 1
935 1 84 SER QB 1 85 LEU H 3.000 . 3.500 3.040 2.657 3.444 . 0 0 "[ . 1]" 1
936 1 84 SER QB 1 85 LEU QB 4.000 . 5.000 4.411 3.955 4.824 . 0 0 "[ . 1]" 1
937 1 85 LEU H 1 85 LEU HB2 4.000 . 5.000 2.472 2.158 2.673 . 0 0 "[ . 1]" 1
938 1 85 LEU H 1 85 LEU HB3 4.000 . 5.000 3.255 2.472 3.695 . 0 0 "[ . 1]" 1
939 1 85 LEU H 1 85 LEU HG 4.000 . 5.000 3.590 2.272 4.520 . 0 0 "[ . 1]" 1
940 1 85 LEU H 1 85 LEU MD1 4.000 . 5.000 3.752 2.497 4.318 . 0 0 "[ . 1]" 1
941 1 85 LEU H 1 85 LEU MD2 4.000 . 5.000 3.546 2.350 4.320 . 0 0 "[ . 1]" 1
942 1 85 LEU H 1 86 LYS H 3.000 . 3.500 2.457 2.233 2.610 . 0 0 "[ . 1]" 1
943 1 85 LEU HA 1 85 LEU HG 4.000 . 5.000 3.109 2.483 3.686 . 0 0 "[ . 1]" 1
944 1 85 LEU HA 1 85 LEU MD2 4.000 . 5.000 2.855 2.007 3.866 . 0 0 "[ . 1]" 1
945 1 85 LEU HA 1 86 LYS H 4.000 . 5.000 3.343 3.063 3.572 . 0 0 "[ . 1]" 1
946 1 85 LEU QB 1 86 LYS H 4.000 . 5.000 3.130 2.467 3.690 . 0 0 "[ . 1]" 1
947 1 86 LYS H 1 86 LYS HA 3.000 . 3.500 2.836 2.703 2.892 . 0 0 "[ . 1]" 1
948 1 86 LYS H 1 86 LYS QB 3.000 . 3.500 2.440 2.210 2.854 . 0 0 "[ . 1]" 1
949 1 86 LYS H 1 86 LYS QG 4.000 . 5.000 3.941 2.313 4.410 . 0 0 "[ . 1]" 1
950 1 86 LYS H 1 87 GLY H 4.000 . 5.000 4.079 2.418 4.649 . 0 0 "[ . 1]" 1
951 1 86 LYS H 1 88 GLY H 4.000 . 5.000 4.443 3.532 5.094 0.094 8 0 "[ . 1]" 1
952 1 86 LYS HA 1 87 GLY H 3.000 . 3.500 2.371 2.097 3.479 . 0 0 "[ . 1]" 1
953 1 86 LYS HA 1 87 GLY QA 4.000 . 5.000 3.956 3.865 4.212 . 0 0 "[ . 1]" 1
954 1 86 LYS HA 1 88 GLY H 4.000 . 5.000 3.895 2.721 5.011 0.011 6 0 "[ . 1]" 1
955 1 86 LYS QB 1 86 LYS QE 4.000 . 5.000 3.296 1.854 3.862 . 0 0 "[ . 1]" 1
956 1 86 LYS QB 1 87 GLY H 4.000 . 5.000 3.513 2.549 4.032 . 0 0 "[ . 1]" 1
957 1 86 LYS QB 1 88 GLY H 4.000 . 5.000 4.040 2.500 5.113 0.113 2 0 "[ . 1]" 1
958 1 86 LYS QG 1 87 GLY H 4.000 . 5.000 3.095 1.829 3.954 . 0 0 "[ . 1]" 1
959 1 86 LYS QD 1 88 GLY H 4.000 . 5.000 4.372 2.997 5.023 0.023 8 0 "[ . 1]" 1
960 1 87 GLY H 1 88 GLY H 4.000 . 5.000 2.667 1.967 3.708 . 0 0 "[ . 1]" 1
961 1 87 GLY QA 1 88 GLY H 3.000 . 3.500 2.743 2.470 2.881 . 0 0 "[ . 1]" 1
962 1 88 GLY H 1 89 PRO HD2 4.000 . 5.000 4.795 3.834 5.104 0.104 3 0 "[ . 1]" 1
963 1 88 GLY H 1 89 PRO HD3 4.000 . 5.000 4.560 4.013 5.021 0.021 1 0 "[ . 1]" 1
964 1 88 GLY QA 1 89 PRO HD2 4.000 . 5.000 2.389 2.087 2.538 . 0 0 "[ . 1]" 1
965 1 88 GLY QA 1 89 PRO HD3 4.000 . 5.000 2.113 1.852 2.433 . 0 0 "[ . 1]" 1
966 1 89 PRO HA 1 90 TYR H 3.000 . 3.500 2.782 2.189 3.518 0.018 1 0 "[ . 1]" 1
967 1 89 PRO QB 1 90 TYR H 4.000 . 5.000 3.234 1.928 3.906 . 0 0 "[ . 1]" 1
968 1 89 PRO QD 1 90 TYR H 4.000 . 5.000 3.829 2.361 4.782 . 0 0 "[ . 1]" 1
969 1 90 TYR H 1 90 TYR HB2 4.000 . 5.000 3.096 2.333 3.974 . 0 0 "[ . 1]" 1
970 1 90 TYR H 1 90 TYR HB3 3.000 . 3.500 3.260 2.486 3.668 0.168 10 0 "[ . 1]" 1
971 1 90 TYR H 1 90 TYR QD 4.000 . 5.000 3.444 2.210 4.608 . 0 0 "[ . 1]" 1
972 1 90 TYR H 1 91 GLU H 3.000 . 3.500 2.713 1.826 3.660 0.160 4 0 "[ . 1]" 1
973 1 90 TYR HA 1 90 TYR QD 4.000 . 5.000 2.964 2.131 3.741 . 0 0 "[ . 1]" 1
974 1 90 TYR HA 1 91 GLU H 3.000 . 3.500 2.980 2.095 3.534 0.034 3 0 "[ . 1]" 1
975 1 90 TYR HB2 1 90 TYR QE 4.000 . 5.000 4.423 4.377 4.468 . 0 0 "[ . 1]" 1
976 1 90 TYR HB3 1 90 TYR QE 4.000 . 5.000 4.423 4.391 4.496 . 0 0 "[ . 1]" 1
977 1 90 TYR HB2 1 91 GLU H 4.000 . 5.000 3.832 2.611 4.485 . 0 0 "[ . 1]" 1
978 1 90 TYR HB3 1 91 GLU H 4.000 . 5.000 3.717 1.934 4.563 . 0 0 "[ . 1]" 1
979 1 90 TYR QB 1 93 THR MG 4.000 . 5.000 4.074 2.176 5.030 0.030 1 0 "[ . 1]" 1
980 1 90 TYR QD 1 91 GLU H 4.000 . 5.000 4.192 3.051 4.834 . 0 0 "[ . 1]" 1
981 1 90 TYR QD 1 93 THR MG 4.000 . 5.000 3.834 1.795 5.005 0.005 2 0 "[ . 1]" 1
982 1 91 GLU H 1 91 GLU QG 4.000 . 5.000 3.314 1.875 4.558 . 0 0 "[ . 1]" 1
983 1 91 GLU H 1 92 ASN H 4.000 . 5.000 3.760 2.141 4.639 . 0 0 "[ . 1]" 1
984 1 91 GLU H 1 93 THR MG 4.000 . 5.000 3.904 1.989 5.068 0.068 2 0 "[ . 1]" 1
985 1 91 GLU HA 1 92 ASN H 3.000 . 3.500 2.838 2.225 3.530 0.030 8 0 "[ . 1]" 1
986 1 91 GLU QB 1 92 ASN H 4.000 . 5.000 2.880 1.565 4.040 0.235 2 0 "[ . 1]" 1
987 1 91 GLU QB 1 93 THR MG 4.000 . 5.000 4.054 2.805 5.003 0.003 9 0 "[ . 1]" 1
988 1 91 GLU QG 1 92 ASN H 4.000 . 5.000 3.332 1.991 4.583 . 0 0 "[ . 1]" 1
989 1 91 GLU QG 1 93 THR MG 4.000 . 5.000 4.736 4.324 5.115 0.115 7 0 "[ . 1]" 1
990 1 92 ASN H 1 92 ASN HB2 4.000 . 5.000 3.186 2.344 4.018 . 0 0 "[ . 1]" 1
991 1 92 ASN H 1 92 ASN HB3 4.000 . 5.000 3.647 2.449 4.171 . 0 0 "[ . 1]" 1
992 1 92 ASN H 1 93 THR H 4.000 . 5.000 2.812 2.092 3.692 . 0 0 "[ . 1]" 1
993 1 92 ASN H 1 93 THR MG 4.000 . 5.000 3.893 2.600 4.699 . 0 0 "[ . 1]" 1
994 1 92 ASN HA 1 93 THR H 4.000 . 5.000 3.233 2.814 3.550 . 0 0 "[ . 1]" 1
995 1 92 ASN HB2 1 92 ASN HD22 4.000 . 5.000 3.722 3.473 4.083 . 0 0 "[ . 1]" 1
996 1 92 ASN HB3 1 92 ASN HD22 4.000 . 5.000 3.790 3.474 4.080 . 0 0 "[ . 1]" 1
997 1 92 ASN HB2 1 93 THR H 4.000 . 5.000 3.656 2.292 4.584 . 0 0 "[ . 1]" 1
998 1 92 ASN HB3 1 93 THR H 4.000 . 5.000 3.705 2.416 4.436 . 0 0 "[ . 1]" 1
999 1 92 ASN QB 1 93 THR MG 4.000 . 5.000 4.416 3.435 5.009 0.009 5 0 "[ . 1]" 1
1000 1 93 THR H 1 93 THR HB 4.000 . 5.000 3.689 2.668 4.115 . 0 0 "[ . 1]" 1
1001 1 93 THR H 1 93 THR MG 4.000 . 5.000 2.507 1.905 2.899 . 0 0 "[ . 1]" 1
1002 1 93 THR H 1 94 THR H 3.000 . 3.500 2.718 1.862 3.191 . 0 0 "[ . 1]" 1
1003 1 93 THR HA 1 94 THR H 4.000 . 5.000 3.073 2.241 3.489 . 0 0 "[ . 1]" 1
1004 1 93 THR HB 1 94 THR H 4.000 . 5.000 4.220 3.641 4.495 . 0 0 "[ . 1]" 1
1005 1 94 THR H 1 94 THR HB 4.000 . 5.000 2.963 2.593 3.698 . 0 0 "[ . 1]" 1
1006 1 94 THR H 1 94 THR MG 4.000 . 5.000 3.358 1.882 4.040 . 0 0 "[ . 1]" 1
1007 1 94 THR HA 1 95 LYS H 4.000 . 5.000 2.731 2.130 3.571 . 0 0 "[ . 1]" 1
1008 1 94 THR HB 1 95 LYS H 4.000 . 5.000 3.544 1.866 4.444 . 0 0 "[ . 1]" 1
1009 1 95 LYS H 1 95 LYS HB2 4.000 . 5.000 3.341 2.718 4.067 . 0 0 "[ . 1]" 1
1010 1 95 LYS H 1 95 LYS HB3 4.000 . 5.000 3.195 2.510 3.677 . 0 0 "[ . 1]" 1
1011 1 95 LYS H 1 95 LYS QG 4.000 . 5.000 3.871 2.219 4.482 . 0 0 "[ . 1]" 1
1012 1 95 LYS H 1 96 LEU H 2.500 . 2.900 2.320 1.773 3.038 0.138 6 0 "[ . 1]" 1
1013 1 95 LYS HA 1 95 LYS QD 4.000 . 5.000 3.841 1.983 4.232 . 0 0 "[ . 1]" 1
1014 1 95 LYS HA 1 96 LEU H 3.000 . 3.500 3.086 2.250 3.538 0.038 1 0 "[ . 1]" 1
1015 1 95 LYS QB 1 95 LYS QE 4.000 . 5.000 2.972 1.815 3.675 . 0 0 "[ . 1]" 1
1016 1 95 LYS HB2 1 96 LEU H 4.000 . 5.000 4.285 3.527 4.549 . 0 0 "[ . 1]" 1
1017 1 95 LYS HB3 1 96 LEU H 4.000 . 5.000 3.765 2.017 4.469 . 0 0 "[ . 1]" 1
1018 1 95 LYS QB 1 97 SER H 4.000 . 5.000 4.086 2.637 5.025 0.025 1 0 "[ . 1]" 1
1019 1 95 LYS QG 1 96 LEU H 4.000 . 5.000 3.807 1.827 4.556 . 0 0 "[ . 1]" 1
1020 1 95 LYS QG 1 96 LEU MD1 4.000 . 5.000 4.884 4.184 5.205 0.205 9 0 "[ . 1]" 1
1021 1 95 LYS QG 1 96 LEU MD2 4.000 . 5.000 4.780 4.096 5.168 0.168 8 0 "[ . 1]" 1
1022 1 95 LYS QD 1 97 SER HA 4.000 . 5.000 4.911 4.338 5.114 0.114 4 0 "[ . 1]" 1
1023 1 96 LEU H 1 96 LEU QB 3.000 . 3.500 3.064 2.201 3.457 . 0 0 "[ . 1]" 1
1024 1 96 LEU H 1 96 LEU HG 4.000 . 5.000 3.440 2.132 4.612 . 0 0 "[ . 1]" 1
1025 1 96 LEU H 1 96 LEU MD1 4.000 . 5.000 3.780 2.324 4.560 . 0 0 "[ . 1]" 1
1026 1 96 LEU H 1 96 LEU MD2 4.000 . 5.000 2.828 2.332 4.610 . 0 0 "[ . 1]" 1
1027 1 96 LEU HA 1 96 LEU MD1 4.000 . 5.000 3.129 1.800 3.891 0.000 4 0 "[ . 1]" 1
1028 1 96 LEU HA 1 96 LEU MD2 4.000 . 5.000 2.533 2.093 3.851 . 0 0 "[ . 1]" 1
1029 1 96 LEU HA 1 97 SER H 4.000 . 5.000 3.022 2.178 3.555 . 0 0 "[ . 1]" 1
1030 1 96 LEU QB 1 97 SER H 4.000 . 5.000 2.971 1.749 3.859 0.051 2 0 "[ . 1]" 1
1031 1 96 LEU QB 1 97 SER HA 4.000 . 5.000 4.300 3.914 5.051 0.051 6 0 "[ . 1]" 1
1032 1 96 LEU MD2 1 97 SER H 4.000 . 5.000 4.193 3.786 4.524 . 0 0 "[ . 1]" 1
1033 1 97 SER H 1 97 SER QB 3.000 . 3.500 2.908 2.354 3.393 . 0 0 "[ . 1]" 1
1034 1 97 SER H 1 98 THR MG 4.000 . 5.000 4.863 3.802 5.137 0.137 2 0 "[ . 1]" 1
1035 1 97 SER HA 1 98 THR H 4.000 . 5.000 2.913 2.215 3.553 . 0 0 "[ . 1]" 1
1036 1 97 SER QB 1 98 THR H 4.000 . 5.000 3.174 1.834 3.959 . 0 0 "[ . 1]" 1
1037 1 98 THR H 1 98 THR HB 4.000 . 5.000 3.331 2.608 3.832 . 0 0 "[ . 1]" 1
1038 1 98 THR H 1 98 THR MG 4.000 . 5.000 2.999 1.997 3.976 . 0 0 "[ . 1]" 1
1039 1 98 THR HA 1 99 THR H 3.000 . 3.500 2.666 2.152 3.542 0.042 9 0 "[ . 1]" 1
1040 1 98 THR HB 1 99 THR H 4.000 . 5.000 3.416 1.733 4.305 0.067 2 0 "[ . 1]" 1
1041 1 98 THR MG 1 99 THR H 4.000 . 5.000 3.480 2.616 4.160 . 0 0 "[ . 1]" 1
1042 1 99 THR H 1 99 THR MG 4.000 . 5.000 3.142 1.981 3.967 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 52
_Distance_constraint_stats_list.Viol_count 45
_Distance_constraint_stats_list.Viol_total 19.466
_Distance_constraint_stats_list.Viol_max 0.165
_Distance_constraint_stats_list.Viol_rms 0.0170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0433
_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 9 TYR 0.118 0.083 10 0 "[ . 1]"
1 11 TYR 0.058 0.058 10 0 "[ . 1]"
1 13 LEU 0.000 0.000 . 0 "[ . 1]"
1 14 GLU 0.190 0.148 3 0 "[ . 1]"
1 15 CYS 0.043 0.039 4 0 "[ . 1]"
1 19 SER 0.043 0.039 4 0 "[ . 1]"
1 21 TYR 0.000 0.000 . 0 "[ . 1]"
1 23 GLY 0.058 0.058 10 0 "[ . 1]"
1 25 THR 0.118 0.083 10 0 "[ . 1]"
1 29 ASP 0.001 0.001 9 0 "[ . 1]"
1 30 ARG 0.142 0.044 5 0 "[ . 1]"
1 31 ARG 0.219 0.075 1 0 "[ . 1]"
1 32 ILE 0.000 0.000 . 0 "[ . 1]"
1 33 LYS 0.001 0.001 9 0 "[ . 1]"
1 34 LYS 0.275 0.079 2 0 "[ . 1]"
1 35 HIS 0.219 0.075 1 0 "[ . 1]"
1 36 ALA 0.000 0.000 . 0 "[ . 1]"
1 37 SER 0.000 0.000 . 0 "[ . 1]"
1 38 GLY 0.133 0.079 2 0 "[ . 1]"
1 51 ARG 0.190 0.148 3 0 "[ . 1]"
1 61 LYS 0.000 0.000 . 0 "[ . 1]"
1 62 GLU 0.000 0.000 . 0 "[ . 1]"
1 63 GLU 0.000 0.000 . 0 "[ . 1]"
1 64 ALA 0.108 0.051 10 0 "[ . 1]"
1 65 MET 0.099 0.056 6 0 "[ . 1]"
1 66 ARG 0.001 0.001 4 0 "[ . 1]"
1 67 TRP 0.000 0.000 . 0 "[ . 1]"
1 68 GLU 0.108 0.051 10 0 "[ . 1]"
1 69 TYR 0.650 0.108 5 0 "[ . 1]"
1 70 GLU 0.001 0.001 4 0 "[ . 1]"
1 71 VAL 0.000 0.000 . 0 "[ . 1]"
1 72 LYS 0.000 0.000 . 0 "[ . 1]"
1 73 HIS 0.551 0.108 5 0 "[ . 1]"
1 76 ARG 0.283 0.165 7 0 "[ . 1]"
1 77 ARG 0.000 0.000 . 0 "[ . 1]"
1 80 GLU 0.283 0.165 7 0 "[ . 1]"
1 81 GLN 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 TYR O 1 25 THR N 2.800 2.400 3.300 2.971 2.700 3.335 0.035 10 0 "[ . 1]" 2
2 1 9 TYR O 1 25 THR H 1.800 . 2.300 2.014 1.747 2.383 0.083 10 0 "[ . 1]" 2
3 1 11 TYR O 1 23 GLY N 2.800 2.400 3.300 2.847 2.629 3.219 . 0 0 "[ . 1]" 2
4 1 11 TYR O 1 23 GLY H 1.800 . 2.300 1.890 1.651 2.288 . 0 0 "[ . 1]" 2
5 1 13 LEU O 1 21 TYR N 2.800 2.400 3.300 2.671 2.569 2.757 . 0 0 "[ . 1]" 2
6 1 13 LEU O 1 21 TYR H 1.800 . 2.300 1.702 1.629 1.779 . 0 0 "[ . 1]" 2
7 1 14 GLU O 1 51 ARG N 2.800 2.400 3.300 2.904 2.644 3.220 . 0 0 "[ . 1]" 2
8 1 14 GLU O 1 51 ARG H 1.800 . 2.300 1.992 1.664 2.448 0.148 3 0 "[ . 1]" 2
9 1 15 CYS N 1 19 SER O 2.800 2.400 3.300 3.015 2.826 3.287 . 0 0 "[ . 1]" 2
10 1 15 CYS H 1 19 SER O 1.800 . 2.300 2.065 1.847 2.339 0.039 4 0 "[ . 1]" 2
11 1 13 LEU N 1 21 TYR O 2.800 2.400 3.300 2.896 2.811 2.982 . 0 0 "[ . 1]" 2
12 1 13 LEU H 1 21 TYR O 1.800 . 2.300 1.961 1.843 2.078 . 0 0 "[ . 1]" 2
13 1 11 TYR N 1 23 GLY O 2.800 2.400 3.300 3.070 2.917 3.279 . 0 0 "[ . 1]" 2
14 1 11 TYR H 1 23 GLY O 1.800 . 2.300 2.165 1.986 2.358 0.058 10 0 "[ . 1]" 2
15 1 9 TYR N 1 25 THR O 2.800 2.400 3.300 2.821 2.635 3.133 . 0 0 "[ . 1]" 2
16 1 9 TYR H 1 25 THR O 1.800 . 2.300 1.877 1.666 2.203 . 0 0 "[ . 1]" 2
17 1 29 ASP O 1 33 LYS N 2.800 2.400 3.300 2.978 2.781 3.172 . 0 0 "[ . 1]" 2
18 1 29 ASP O 1 33 LYS H 1.800 . 2.300 2.057 1.863 2.301 0.001 9 0 "[ . 1]" 2
19 1 30 ARG O 1 34 LYS N 2.800 2.400 3.300 3.157 2.840 3.324 0.024 5 0 "[ . 1]" 2
20 1 30 ARG O 1 34 LYS H 1.800 . 2.300 2.233 1.875 2.344 0.044 5 0 "[ . 1]" 2
21 1 31 ARG O 1 35 HIS N 2.800 2.400 3.300 3.119 2.805 3.304 0.004 1 0 "[ . 1]" 2
22 1 31 ARG O 1 35 HIS H 1.800 . 2.300 2.232 1.909 2.375 0.075 1 0 "[ . 1]" 2
23 1 32 ILE O 1 36 ALA N 2.800 2.400 3.300 2.873 2.711 3.166 . 0 0 "[ . 1]" 2
24 1 32 ILE O 1 36 ALA H 1.800 . 2.300 1.917 1.734 2.220 . 0 0 "[ . 1]" 2
25 1 33 LYS O 1 37 SER N 2.800 2.400 3.300 2.795 2.688 2.927 . 0 0 "[ . 1]" 2
26 1 33 LYS O 1 37 SER H 1.800 . 2.300 1.857 1.750 2.031 . 0 0 "[ . 1]" 2
27 1 34 LYS O 1 38 GLY N 2.800 2.400 3.300 2.915 2.775 3.073 . 0 0 "[ . 1]" 2
28 1 34 LYS O 1 38 GLY H 1.800 . 2.300 2.231 1.902 2.379 0.079 2 0 "[ . 1]" 2
29 1 14 GLU N 1 51 ARG O 2.800 2.400 3.300 2.725 2.638 2.877 . 0 0 "[ . 1]" 2
30 1 14 GLU H 1 51 ARG O 1.800 . 2.300 1.789 1.678 2.053 . 0 0 "[ . 1]" 2
31 1 61 LYS O 1 65 MET N 2.800 2.400 3.300 2.921 2.767 3.151 . 0 0 "[ . 1]" 2
32 1 61 LYS O 1 65 MET H 1.800 . 2.300 2.000 1.814 2.210 . 0 0 "[ . 1]" 2
33 1 62 GLU O 1 66 ARG N 2.800 2.400 3.300 2.951 2.700 3.265 . 0 0 "[ . 1]" 2
34 1 62 GLU O 1 66 ARG H 1.800 . 2.300 2.001 1.740 2.298 . 0 0 "[ . 1]" 2
35 1 63 GLU O 1 67 TRP N 2.800 2.400 3.300 2.843 2.709 3.081 . 0 0 "[ . 1]" 2
36 1 63 GLU O 1 67 TRP H 1.800 . 2.300 1.929 1.787 2.158 . 0 0 "[ . 1]" 2
37 1 64 ALA O 1 68 GLU N 2.800 2.400 3.300 3.076 2.855 3.329 0.029 10 0 "[ . 1]" 2
38 1 64 ALA O 1 68 GLU H 1.800 . 2.300 2.104 1.885 2.351 0.051 10 0 "[ . 1]" 2
39 1 65 MET O 1 69 TYR N 2.800 2.400 3.300 3.192 3.001 3.308 0.008 6 0 "[ . 1]" 2
40 1 65 MET O 1 69 TYR H 1.800 . 2.300 2.246 2.092 2.356 0.056 6 0 "[ . 1]" 2
41 1 66 ARG O 1 70 GLU N 2.800 2.400 3.300 2.898 2.723 3.205 . 0 0 "[ . 1]" 2
42 1 66 ARG O 1 70 GLU H 1.800 . 2.300 1.978 1.790 2.301 0.001 4 0 "[ . 1]" 2
43 1 67 TRP O 1 71 VAL N 2.800 2.400 3.300 2.998 2.848 3.224 . 0 0 "[ . 1]" 2
44 1 67 TRP O 1 71 VAL H 1.800 . 2.300 2.043 1.918 2.254 . 0 0 "[ . 1]" 2
45 1 68 GLU O 1 72 LYS N 2.800 2.400 3.300 2.901 2.683 3.123 . 0 0 "[ . 1]" 2
46 1 68 GLU O 1 72 LYS H 1.800 . 2.300 1.985 1.829 2.246 . 0 0 "[ . 1]" 2
47 1 69 TYR O 1 73 HIS N 2.800 2.400 3.300 3.133 2.788 3.274 . 0 0 "[ . 1]" 2
48 1 69 TYR O 1 73 HIS H 1.800 . 2.300 2.345 2.198 2.408 0.108 5 0 "[ . 1]" 2
49 1 76 ARG O 1 80 GLU N 2.800 2.400 3.300 2.902 2.685 3.418 0.118 7 0 "[ . 1]" 2
50 1 76 ARG O 1 80 GLU H 1.800 . 2.300 1.974 1.726 2.465 0.165 7 0 "[ . 1]" 2
51 1 77 ARG O 1 81 GLN N 2.800 2.400 3.300 2.914 2.650 3.163 . 0 0 "[ . 1]" 2
52 1 77 ARG O 1 81 GLN H 1.800 . 2.300 2.039 1.755 2.292 . 0 0 "[ . 1]" 2
stop_
save_
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