NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
445194 |
2kj8   |
16315 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kj8
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 1126
_Distance_constraint_stats_list.Viol_count 1188
_Distance_constraint_stats_list.Viol_total 573.698
_Distance_constraint_stats_list.Viol_max 0.141
_Distance_constraint_stats_list.Viol_rms 0.0070
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0241
_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 4 ASN 0.025 0.025 10 0 "[ . 1 . 2]"
1 5 ASN 0.214 0.054 12 0 "[ . 1 . 2]"
1 6 SER 0.224 0.049 8 0 "[ . 1 . 2]"
1 7 PHE 0.597 0.036 18 0 "[ . 1 . 2]"
1 8 SER 0.042 0.023 18 0 "[ . 1 . 2]"
1 9 ALA 0.195 0.030 14 0 "[ . 1 . 2]"
1 10 ILE 0.205 0.034 8 0 "[ . 1 . 2]"
1 11 TYR 0.511 0.052 7 0 "[ . 1 . 2]"
1 12 LYS 0.428 0.050 17 0 "[ . 1 . 2]"
1 13 GLU 0.067 0.035 12 0 "[ . 1 . 2]"
1 14 TRP 0.830 0.090 3 0 "[ . 1 . 2]"
1 15 TYR 0.825 0.070 20 0 "[ . 1 . 2]"
1 16 GLU 0.645 0.072 2 0 "[ . 1 . 2]"
1 17 HIS 0.234 0.090 3 0 "[ . 1 . 2]"
1 18 LYS 0.019 0.010 10 0 "[ . 1 . 2]"
1 19 LYS 0.613 0.072 2 0 "[ . 1 . 2]"
1 20 GLN 0.050 0.022 1 0 "[ . 1 . 2]"
1 21 VAL 0.615 0.049 17 0 "[ . 1 . 2]"
1 22 TRP 1.124 0.049 17 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.686 0.101 9 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 TYR 0.026 0.012 2 0 "[ . 1 . 2]"
1 27 ALA 0.547 0.101 9 0 "[ . 1 . 2]"
1 28 THR 0.187 0.037 1 0 "[ . 1 . 2]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.426 0.046 1 0 "[ . 1 . 2]"
1 31 ALA 0.625 0.070 20 0 "[ . 1 . 2]"
1 32 LYS 0.107 0.086 3 0 "[ . 1 . 2]"
1 33 MET 0.392 0.050 15 0 "[ . 1 . 2]"
1 34 PHE 1.820 0.063 14 0 "[ . 1 . 2]"
1 35 ASP 0.439 0.086 3 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.211 0.060 4 0 "[ . 1 . 2]"
1 38 ILE 1.651 0.101 20 0 "[ . 1 . 2]"
1 39 LEU 1.365 0.093 19 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ILE 1.569 0.076 6 0 "[ . 1 . 2]"
1 42 ILE 2.391 0.094 14 0 "[ . 1 . 2]"
1 43 GLY 0.378 0.093 19 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 2.656 0.094 14 0 "[ . 1 . 2]"
1 46 GLU 0.798 0.049 2 0 "[ . 1 . 2]"
1 47 ILE 0.503 0.054 12 0 "[ . 1 . 2]"
1 48 GLN 0.429 0.047 13 0 "[ . 1 . 2]"
1 49 ASP 0.150 0.030 14 0 "[ . 1 . 2]"
1 50 ILE 0.965 0.060 5 0 "[ . 1 . 2]"
1 51 GLU 0.894 0.090 17 0 "[ . 1 . 2]"
1 52 PRO 0.089 0.031 5 0 "[ . 1 . 2]"
1 53 MET 0.010 0.010 10 0 "[ . 1 . 2]"
1 54 GLN 1.085 0.130 15 0 "[ . 1 . 2]"
1 55 LEU 0.598 0.037 7 0 "[ . 1 . 2]"
1 56 LEU 2.046 0.100 11 0 "[ . 1 . 2]"
1 57 GLU 0.306 0.045 13 0 "[ . 1 . 2]"
1 58 VAL 2.629 0.130 15 0 "[ . 1 . 2]"
1 59 ILE 3.475 0.141 14 0 "[ . 1 . 2]"
1 60 ARG 1.298 0.086 15 0 "[ . 1 . 2]"
1 61 ARG 0.557 0.073 12 0 "[ . 1 . 2]"
1 62 PHE 0.083 0.031 1 0 "[ . 1 . 2]"
1 63 GLU 0.482 0.081 16 0 "[ . 1 . 2]"
1 64 ASP 0.136 0.082 8 0 "[ . 1 . 2]"
1 65 ARG 0.233 0.087 12 0 "[ . 1 . 2]"
1 66 GLY 0.557 0.070 19 0 "[ . 1 . 2]"
1 67 ALA 0.357 0.087 12 0 "[ . 1 . 2]"
1 68 MET 0.618 0.070 19 0 "[ . 1 . 2]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ARG 0.193 0.041 8 0 "[ . 1 . 2]"
1 71 ALA 0.313 0.035 3 0 "[ . 1 . 2]"
1 72 ASN 0.336 0.046 9 0 "[ . 1 . 2]"
1 73 LYS 0.166 0.041 8 0 "[ . 1 . 2]"
1 74 ALA 2.136 0.141 14 0 "[ . 1 . 2]"
1 75 ARG 0.731 0.063 18 0 "[ . 1 . 2]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ARG 0.459 0.101 20 0 "[ . 1 . 2]"
1 78 CYS 0.104 0.035 16 0 "[ . 1 . 2]"
1 79 GLY 0.564 0.061 4 0 "[ . 1 . 2]"
1 80 GLU 0.044 0.035 7 0 "[ . 1 . 2]"
1 81 VAL 0.087 0.022 14 0 "[ . 1 . 2]"
1 82 PHE 0.293 0.027 7 0 "[ . 1 . 2]"
1 83 ARG 0.049 0.016 13 0 "[ . 1 . 2]"
1 84 TYR 0.526 0.067 5 0 "[ . 1 . 2]"
1 85 ALA 0.393 0.091 13 0 "[ . 1 . 2]"
1 86 ILE 0.109 0.015 11 0 "[ . 1 . 2]"
1 87 VAL 0.500 0.053 7 0 "[ . 1 . 2]"
1 88 THR 0.658 0.091 13 0 "[ . 1 . 2]"
1 89 GLY 0.404 0.053 7 0 "[ . 1 . 2]"
1 90 ARG 0.132 0.051 12 0 "[ . 1 . 2]"
1 91 ALA 0.303 0.051 12 0 "[ . 1 . 2]"
1 92 LYS 0.014 0.008 8 0 "[ . 1 . 2]"
1 93 TYR 0.220 0.031 9 0 "[ . 1 . 2]"
1 94 ASN 0.459 0.061 4 0 "[ . 1 . 2]"
1 95 PRO 0.164 0.031 5 0 "[ . 1 . 2]"
1 96 ALA 0.554 0.044 14 0 "[ . 1 . 2]"
1 97 PRO 0.085 0.031 9 0 "[ . 1 . 2]"
1 98 ASP 0.051 0.021 10 0 "[ . 1 . 2]"
1 99 LEU 0.439 0.063 18 0 "[ . 1 . 2]"
1 100 ALA 0.044 0.022 3 0 "[ . 1 . 2]"
1 101 ASP 0.466 0.044 18 0 "[ . 1 . 2]"
1 102 ALA 0.725 0.067 10 0 "[ . 1 . 2]"
1 103 MET 1.796 0.100 11 0 "[ . 1 . 2]"
1 104 LYS 0.938 0.050 19 0 "[ . 1 . 2]"
1 105 GLY 0.612 0.050 19 0 "[ . 1 . 2]"
1 106 TYR 0.395 0.067 10 0 "[ . 1 . 2]"
1 107 ARG 0.057 0.057 14 0 "[ . 1 . 2]"
1 108 LYS 0.202 0.076 13 0 "[ . 1 . 2]"
1 109 LYS 0.145 0.076 13 0 "[ . 1 . 2]"
1 110 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 LEU 0.131 0.037 2 0 "[ . 1 . 2]"
1 112 GLU 0.131 0.037 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ASN H 1 5 ASN H 1.800 . 5.000 3.311 2.271 4.618 . 0 0 "[ . 1 . 2]" 1
2 1 5 ASN H 1 6 SER H 1.800 . 3.500 2.483 2.207 2.779 . 0 0 "[ . 1 . 2]" 1
3 1 7 PHE H 1 8 SER H 1.800 . 5.000 2.771 2.659 2.886 . 0 0 "[ . 1 . 2]" 1
4 1 8 SER H 1 9 ALA H 1.800 . 5.000 2.765 2.683 2.857 . 0 0 "[ . 1 . 2]" 1
5 1 9 ALA H 1 10 ILE H 1.800 . 3.500 2.700 2.596 2.763 . 0 0 "[ . 1 . 2]" 1
6 1 10 ILE H 1 11 TYR H 1.800 . 3.500 2.553 2.471 2.626 . 0 0 "[ . 1 . 2]" 1
7 1 11 TYR H 1 12 LYS H 1.800 . 5.000 2.769 2.646 2.862 . 0 0 "[ . 1 . 2]" 1
8 1 12 LYS H 1 13 GLU H 1.800 . 3.500 2.667 2.524 2.796 . 0 0 "[ . 1 . 2]" 1
9 1 13 GLU H 1 14 TRP H 1.800 . 3.500 2.686 2.604 2.755 . 0 0 "[ . 1 . 2]" 1
10 1 14 TRP H 1 15 TYR H 1.800 . 5.000 2.769 2.650 2.854 . 0 0 "[ . 1 . 2]" 1
11 1 15 TYR H 1 16 GLU H 1.800 . 5.000 2.840 2.746 2.970 . 0 0 "[ . 1 . 2]" 1
12 1 16 GLU H 1 17 HIS H 1.800 . 3.500 2.656 2.549 2.826 . 0 0 "[ . 1 . 2]" 1
13 1 17 HIS H 1 18 LYS H 1.800 . 5.000 2.581 2.389 2.748 . 0 0 "[ . 1 . 2]" 1
14 1 18 LYS H 1 19 LYS H 1.800 . 5.000 2.493 2.394 2.574 . 0 0 "[ . 1 . 2]" 1
15 1 19 LYS H 1 20 GLN H 1.800 . 3.500 2.613 2.554 2.729 . 0 0 "[ . 1 . 2]" 1
16 1 20 GLN H 1 21 VAL H 1.800 . 3.500 2.395 2.286 2.529 . 0 0 "[ . 1 . 2]" 1
17 1 21 VAL H 1 22 TRP H 1.800 . 2.900 2.227 1.966 2.417 . 0 0 "[ . 1 . 2]" 1
18 1 22 TRP H 1 23 SER H 1.800 . 5.000 4.559 4.479 4.615 . 0 0 "[ . 1 . 2]" 1
19 1 23 SER H 1 24 VAL H 1.800 . 5.000 4.605 4.562 4.637 . 0 0 "[ . 1 . 2]" 1
20 1 24 VAL H 1 25 GLY H 1.800 . 5.000 2.800 2.686 2.914 . 0 0 "[ . 1 . 2]" 1
21 1 25 GLY H 1 26 TYR H 1.800 . 5.000 2.745 2.611 2.919 . 0 0 "[ . 1 . 2]" 1
22 1 26 TYR H 1 27 ALA H 1.800 . 3.500 2.633 2.497 2.786 . 0 0 "[ . 1 . 2]" 1
23 1 27 ALA H 1 28 THR H 1.800 . 3.500 2.729 2.647 2.803 . 0 0 "[ . 1 . 2]" 1
24 1 28 THR H 1 29 GLU H 1.800 . 3.500 2.689 2.533 2.889 . 0 0 "[ . 1 . 2]" 1
25 1 29 GLU H 1 30 LEU H 1.800 . 5.000 2.657 2.470 2.805 . 0 0 "[ . 1 . 2]" 1
26 1 30 LEU H 1 31 ALA H 1.800 . 3.500 2.692 2.604 2.804 . 0 0 "[ . 1 . 2]" 1
27 1 31 ALA H 1 32 LYS H 1.800 . 5.000 2.689 2.584 2.809 . 0 0 "[ . 1 . 2]" 1
28 1 32 LYS H 1 33 MET H 1.800 . 3.500 2.674 2.436 2.870 . 0 0 "[ . 1 . 2]" 1
29 1 33 MET H 1 34 PHE H 1.800 . 5.000 2.663 2.399 2.779 . 0 0 "[ . 1 . 2]" 1
30 1 34 PHE H 1 35 ASP H 1.800 . 5.000 2.652 2.538 2.844 . 0 0 "[ . 1 . 2]" 1
31 1 35 ASP H 1 36 ASP H 1.800 . 3.500 2.817 2.544 3.079 . 0 0 "[ . 1 . 2]" 1
32 1 36 ASP H 1 37 ASP H 1.800 . 3.500 2.739 2.597 3.023 . 0 0 "[ . 1 . 2]" 1
33 1 37 ASP H 1 38 ILE H 1.800 . 3.500 2.263 2.149 2.446 . 0 0 "[ . 1 . 2]" 1
34 1 38 ILE H 1 39 LEU H 1.800 . 5.000 2.430 2.080 2.662 . 0 0 "[ . 1 . 2]" 1
35 1 42 ILE H 1 43 GLY H 1.800 . 5.000 2.105 1.939 2.293 . 0 0 "[ . 1 . 2]" 1
36 1 43 GLY H 1 44 GLY H 1.800 . 5.000 2.755 2.653 2.967 . 0 0 "[ . 1 . 2]" 1
37 1 44 GLY H 1 45 LEU H 1.800 . 3.500 2.625 2.514 2.777 . 0 0 "[ . 1 . 2]" 1
38 1 45 LEU H 1 46 GLU H 1.800 . 5.000 4.549 4.510 4.579 . 0 0 "[ . 1 . 2]" 1
39 1 47 ILE H 1 48 GLN H 1.800 . 5.000 2.667 2.548 2.834 . 0 0 "[ . 1 . 2]" 1
40 1 48 GLN H 1 49 ASP H 1.800 . 3.500 2.341 2.181 2.448 . 0 0 "[ . 1 . 2]" 1
41 1 49 ASP H 1 50 ILE H 1.800 . 3.500 2.804 1.931 3.519 0.019 7 0 "[ . 1 . 2]" 1
42 1 50 ILE H 1 51 GLU H 1.800 . 5.000 4.417 4.123 4.570 . 0 0 "[ . 1 . 2]" 1
43 1 53 MET H 1 54 GLN H 1.800 . 3.500 2.530 2.396 2.691 . 0 0 "[ . 1 . 2]" 1
44 1 54 GLN H 1 55 LEU H 1.800 . 3.500 2.433 2.250 2.590 . 0 0 "[ . 1 . 2]" 1
45 1 55 LEU H 1 56 LEU H 1.800 . 5.000 2.550 2.495 2.629 . 0 0 "[ . 1 . 2]" 1
46 1 56 LEU H 1 57 GLU H 1.800 . 5.000 2.550 2.429 2.637 . 0 0 "[ . 1 . 2]" 1
47 1 58 VAL H 1 59 ILE H 1.800 . 3.500 2.799 2.636 2.874 . 0 0 "[ . 1 . 2]" 1
48 1 59 ILE H 1 60 ARG H 1.800 . 5.000 2.724 2.597 2.834 . 0 0 "[ . 1 . 2]" 1
49 1 60 ARG H 1 61 ARG H 1.800 . 3.500 2.555 2.458 2.706 . 0 0 "[ . 1 . 2]" 1
50 1 61 ARG H 1 62 PHE H 1.800 . 5.000 2.688 2.475 2.914 . 0 0 "[ . 1 . 2]" 1
51 1 62 PHE H 1 63 GLU H 1.800 . 3.500 2.531 2.438 2.709 . 0 0 "[ . 1 . 2]" 1
52 1 63 GLU H 1 64 ASP H 1.800 . 5.000 2.680 2.528 2.926 . 0 0 "[ . 1 . 2]" 1
53 1 64 ASP H 1 65 ARG H 1.800 . 3.500 2.681 2.547 2.931 . 0 0 "[ . 1 . 2]" 1
54 1 65 ARG H 1 66 GLY H 1.800 . 3.500 2.415 2.240 2.635 . 0 0 "[ . 1 . 2]" 1
55 1 66 GLY H 1 67 ALA H 1.800 . 3.500 2.345 2.081 2.675 . 0 0 "[ . 1 . 2]" 1
56 1 68 MET H 1 69 GLU H 1.800 . 5.000 2.575 2.418 2.735 . 0 0 "[ . 1 . 2]" 1
57 1 69 GLU H 1 70 ARG H 1.800 . 5.000 2.677 2.422 2.858 . 0 0 "[ . 1 . 2]" 1
58 1 70 ARG H 1 71 ALA H 1.800 . 2.900 2.529 2.454 2.665 . 0 0 "[ . 1 . 2]" 1
59 1 71 ALA H 1 72 ASN H 1.800 . 5.000 2.637 2.501 2.754 . 0 0 "[ . 1 . 2]" 1
60 1 72 ASN H 1 73 LYS H 1.800 . 5.000 2.555 2.406 2.713 . 0 0 "[ . 1 . 2]" 1
61 1 73 LYS H 1 74 ALA H 1.800 . 3.500 2.672 2.479 2.877 . 0 0 "[ . 1 . 2]" 1
62 1 74 ALA H 1 75 ARG H 1.800 . 5.000 2.769 2.671 2.861 . 0 0 "[ . 1 . 2]" 1
63 1 75 ARG H 1 76 ARG H 1.800 . 3.500 2.864 2.780 3.060 . 0 0 "[ . 1 . 2]" 1
64 1 76 ARG H 1 77 ARG H 1.800 . 5.000 2.696 2.419 2.910 . 0 0 "[ . 1 . 2]" 1
65 1 77 ARG H 1 78 CYS H 1.800 . 5.000 2.618 2.429 2.763 . 0 0 "[ . 1 . 2]" 1
66 1 78 CYS H 1 79 GLY H 1.800 . 5.000 2.680 2.602 2.781 . 0 0 "[ . 1 . 2]" 1
67 1 79 GLY H 1 80 GLU H 1.800 . 5.000 2.736 2.647 2.797 . 0 0 "[ . 1 . 2]" 1
68 1 80 GLU H 1 81 VAL H 1.800 . 3.500 2.604 2.435 2.777 . 0 0 "[ . 1 . 2]" 1
69 1 81 VAL H 1 82 PHE H 1.800 . 3.500 2.698 2.602 2.745 . 0 0 "[ . 1 . 2]" 1
70 1 82 PHE H 1 83 ARG H 1.800 . 5.000 2.756 2.648 2.862 . 0 0 "[ . 1 . 2]" 1
71 1 83 ARG H 1 84 TYR H 1.800 . 5.000 2.727 2.571 2.848 . 0 0 "[ . 1 . 2]" 1
72 1 84 TYR H 1 85 ALA H 1.800 . 3.500 2.706 2.606 2.797 . 0 0 "[ . 1 . 2]" 1
73 1 87 VAL H 1 88 THR H 1.800 . 3.500 2.638 2.435 2.753 . 0 0 "[ . 1 . 2]" 1
74 1 88 THR H 1 89 GLY H 1.800 . 3.500 2.502 2.434 2.605 . 0 0 "[ . 1 . 2]" 1
75 1 89 GLY H 1 90 ARG H 1.800 . 3.500 2.482 2.220 2.657 . 0 0 "[ . 1 . 2]" 1
76 1 90 ARG H 1 91 ALA H 1.800 . 3.500 2.103 1.856 2.548 . 0 0 "[ . 1 . 2]" 1
77 1 92 LYS H 1 93 TYR H 1.800 . 5.000 2.135 1.854 2.396 . 0 0 "[ . 1 . 2]" 1
78 1 93 TYR H 1 94 ASN H 1.800 . 5.000 4.334 4.141 4.495 . 0 0 "[ . 1 . 2]" 1
79 1 98 ASP H 1 99 LEU H 1.800 . 5.000 2.552 2.408 2.694 . 0 0 "[ . 1 . 2]" 1
80 1 99 LEU H 1 100 ALA H 1.800 . 5.000 2.752 2.614 2.854 . 0 0 "[ . 1 . 2]" 1
81 1 103 MET H 1 104 LYS H 1.800 . 2.900 2.688 2.415 2.891 . 0 0 "[ . 1 . 2]" 1
82 1 104 LYS H 1 105 GLY H 1.800 . 3.500 2.613 2.404 2.801 . 0 0 "[ . 1 . 2]" 1
83 1 105 GLY H 1 106 TYR H 1.800 . 3.500 2.639 2.305 3.501 0.001 8 0 "[ . 1 . 2]" 1
84 1 106 TYR H 1 107 ARG H 1.800 . 3.500 2.580 2.190 3.188 . 0 0 "[ . 1 . 2]" 1
85 1 107 ARG H 1 108 LYS H 1.800 . 2.900 2.540 2.303 2.957 0.057 14 0 "[ . 1 . 2]" 1
86 1 108 LYS H 1 109 LYS H 1.800 . 3.500 2.595 2.102 3.576 0.076 13 0 "[ . 1 . 2]" 1
87 1 109 LYS H 1 110 ASN H 1.800 . 5.000 3.613 2.168 4.551 . 0 0 "[ . 1 . 2]" 1
88 1 110 ASN H 1 111 LEU H 1.800 . 5.000 3.845 2.097 4.609 . 0 0 "[ . 1 . 2]" 1
89 1 16 GLU H 1 18 LYS H 1.800 . 5.000 4.312 4.113 4.630 . 0 0 "[ . 1 . 2]" 1
90 1 41 ILE H 1 43 GLY H 1.800 . 5.000 3.182 2.981 3.350 . 0 0 "[ . 1 . 2]" 1
91 1 43 GLY H 1 45 LEU H 1.800 . 5.000 4.062 3.959 4.181 . 0 0 "[ . 1 . 2]" 1
92 1 65 ARG H 1 67 ALA H 1.800 . 5.000 3.601 3.162 4.163 . 0 0 "[ . 1 . 2]" 1
93 1 89 GLY H 1 91 ALA H 1.800 . 5.000 3.781 3.343 4.328 . 0 0 "[ . 1 . 2]" 1
94 1 5 ASN HA 1 6 SER H 1.800 . 3.500 3.118 2.863 3.359 . 0 0 "[ . 1 . 2]" 1
95 1 6 SER HA 1 7 PHE H 1.800 . 3.500 2.255 2.192 2.388 . 0 0 "[ . 1 . 2]" 1
96 1 20 GLN HA 1 21 VAL H 1.800 . 3.500 3.352 3.188 3.479 . 0 0 "[ . 1 . 2]" 1
97 1 21 VAL HA 1 22 TRP H 1.800 . 3.500 3.521 3.347 3.549 0.049 17 0 "[ . 1 . 2]" 1
98 1 22 TRP HA 1 23 SER H 1.800 . 3.500 2.437 2.288 2.631 . 0 0 "[ . 1 . 2]" 1
99 1 23 SER HA 1 24 VAL H 1.800 . 2.900 2.292 2.203 2.442 . 0 0 "[ . 1 . 2]" 1
100 1 45 LEU HA 1 46 GLU H 1.800 . 3.500 2.300 2.197 2.454 . 0 0 "[ . 1 . 2]" 1
101 1 46 GLU HA 1 47 ILE H 1.800 . 3.500 2.200 2.149 2.267 . 0 0 "[ . 1 . 2]" 1
102 1 50 ILE HA 1 51 GLU H 1.800 . 3.500 2.142 2.083 2.191 . 0 0 "[ . 1 . 2]" 1
103 1 90 ARG HA 1 91 ALA H 1.800 . 3.500 3.382 3.161 3.551 0.051 12 0 "[ . 1 . 2]" 1
104 1 93 TYR HA 1 94 ASN H 1.800 . 3.500 2.260 2.121 2.558 . 0 0 "[ . 1 . 2]" 1
105 1 101 ASP HA 1 102 ALA H 1.800 . 3.500 3.523 3.499 3.544 0.044 18 0 "[ . 1 . 2]" 1
106 1 103 MET HA 1 104 LYS H 1.800 . 3.500 3.508 3.448 3.540 0.040 3 0 "[ . 1 . 2]" 1
107 1 104 LYS HA 1 105 GLY H 1.800 . 3.500 3.525 3.434 3.550 0.050 19 0 "[ . 1 . 2]" 1
108 1 6 SER HA 1 8 SER H 1.800 . 5.000 4.325 4.052 4.731 . 0 0 "[ . 1 . 2]" 1
109 1 18 LYS HA 1 20 GLN H 1.800 . 5.000 3.521 3.287 3.732 . 0 0 "[ . 1 . 2]" 1
110 1 19 LYS HA 1 21 VAL H 1.800 . 5.000 3.680 3.375 4.010 . 0 0 "[ . 1 . 2]" 1
111 1 20 GLN HA 1 22 TRP H 1.800 . 5.000 4.707 4.147 4.902 . 0 0 "[ . 1 . 2]" 1
112 1 27 ALA HA 1 29 GLU H 1.800 . 5.000 4.544 4.354 4.665 . 0 0 "[ . 1 . 2]" 1
113 1 30 LEU HA 1 32 LYS H 1.800 . 5.000 4.516 4.302 4.894 . 0 0 "[ . 1 . 2]" 1
114 1 35 ASP HA 1 37 ASP H 1.800 . 5.000 4.529 4.096 5.017 0.017 7 0 "[ . 1 . 2]" 1
115 1 46 GLU HA 1 48 GLN H 1.800 . 5.000 3.912 3.666 4.207 . 0 0 "[ . 1 . 2]" 1
116 1 47 ILE HA 1 49 ASP H 1.800 . 5.000 3.811 3.601 4.015 . 0 0 "[ . 1 . 2]" 1
117 1 48 GLN HA 1 50 ILE H 1.800 . 5.000 4.473 3.735 5.047 0.047 13 0 "[ . 1 . 2]" 1
118 1 51 GLU HA 1 53 MET H 1.800 . 5.000 4.108 3.797 4.468 . 0 0 "[ . 1 . 2]" 1
119 1 52 PRO HA 1 54 GLN H 1.800 . 5.000 4.159 3.909 4.311 . 0 0 "[ . 1 . 2]" 1
120 1 53 MET HA 1 55 LEU H 1.800 . 5.000 4.443 4.211 4.790 . 0 0 "[ . 1 . 2]" 1
121 1 54 GLN HA 1 56 LEU H 1.800 . 5.000 4.207 3.806 4.437 . 0 0 "[ . 1 . 2]" 1
122 1 64 ASP HA 1 66 GLY H 1.800 . 5.000 3.950 3.669 4.421 . 0 0 "[ . 1 . 2]" 1
123 1 65 ARG HA 1 67 ALA H 1.800 . 5.000 4.562 4.146 4.994 . 0 0 "[ . 1 . 2]" 1
124 1 66 GLY QA 1 68 MET H 1.800 . 5.000 4.222 3.413 4.844 . 0 0 "[ . 1 . 2]" 1
125 1 87 VAL HA 1 89 GLY H 1.800 . 5.000 3.815 3.649 4.037 . 0 0 "[ . 1 . 2]" 1
126 1 91 ALA HA 1 93 TYR H 1.800 . 5.000 4.057 3.375 4.697 . 0 0 "[ . 1 . 2]" 1
127 1 97 PRO HA 1 99 LEU H 1.800 . 5.000 4.402 4.198 4.533 . 0 0 "[ . 1 . 2]" 1
128 1 98 ASP HA 1 100 ALA H 1.800 . 5.000 4.275 3.935 4.484 . 0 0 "[ . 1 . 2]" 1
129 1 99 LEU HA 1 101 ASP H 1.800 . 5.000 4.467 4.167 4.733 . 0 0 "[ . 1 . 2]" 1
130 1 100 ALA HA 1 102 ALA H 1.800 . 5.000 4.509 4.298 4.764 . 0 0 "[ . 1 . 2]" 1
131 1 104 LYS HA 1 106 TYR H 1.800 . 5.000 4.297 3.829 5.016 0.016 8 0 "[ . 1 . 2]" 1
132 1 105 GLY QA 1 107 ARG H 1.800 . 5.000 3.706 3.188 4.161 . 0 0 "[ . 1 . 2]" 1
133 1 7 PHE HA 1 10 ILE H 1.800 . 5.000 3.624 3.378 3.742 . 0 0 "[ . 1 . 2]" 1
134 1 8 SER HA 1 11 TYR H 1.800 . 5.000 3.619 3.333 3.876 . 0 0 "[ . 1 . 2]" 1
135 1 9 ALA HA 1 12 LYS H 1.800 . 5.000 3.634 3.476 3.997 . 0 0 "[ . 1 . 2]" 1
136 1 10 ILE HA 1 13 GLU H 1.800 . 5.000 3.318 3.091 3.506 . 0 0 "[ . 1 . 2]" 1
137 1 11 TYR HA 1 14 TRP H 1.800 . 5.000 3.552 3.409 3.704 . 0 0 "[ . 1 . 2]" 1
138 1 12 LYS HA 1 15 TYR H 1.800 . 5.000 3.458 3.216 3.824 . 0 0 "[ . 1 . 2]" 1
139 1 13 GLU HA 1 16 GLU H 1.800 . 5.000 3.673 3.429 3.921 . 0 0 "[ . 1 . 2]" 1
140 1 14 TRP HA 1 17 HIS H 1.800 . 5.000 3.707 3.565 3.994 . 0 0 "[ . 1 . 2]" 1
141 1 15 TYR HA 1 18 LYS H 1.800 . 5.000 3.567 3.357 3.809 . 0 0 "[ . 1 . 2]" 1
142 1 16 GLU HA 1 19 LYS H 1.800 . 5.000 3.538 3.192 4.175 . 0 0 "[ . 1 . 2]" 1
143 1 18 LYS HA 1 21 VAL H 1.800 . 5.000 3.297 2.931 3.543 . 0 0 "[ . 1 . 2]" 1
144 1 19 LYS HA 1 22 TRP H 1.800 . 5.000 3.419 2.959 3.817 . 0 0 "[ . 1 . 2]" 1
145 1 24 VAL HA 1 27 ALA H 1.800 . 5.000 3.487 3.309 3.678 . 0 0 "[ . 1 . 2]" 1
146 1 26 TYR HA 1 29 GLU H 1.800 . 5.000 3.518 3.160 3.801 . 0 0 "[ . 1 . 2]" 1
147 1 27 ALA HA 1 30 LEU H 1.800 . 5.000 3.605 3.442 3.729 . 0 0 "[ . 1 . 2]" 1
148 1 28 THR HA 1 31 ALA H 1.800 . 5.000 3.552 3.211 3.827 . 0 0 "[ . 1 . 2]" 1
149 1 29 GLU HA 1 32 LYS H 1.800 . 5.000 3.451 2.842 3.823 . 0 0 "[ . 1 . 2]" 1
150 1 30 LEU HA 1 33 MET H 1.800 . 5.000 3.649 3.270 4.023 . 0 0 "[ . 1 . 2]" 1
151 1 31 ALA HA 1 34 PHE H 1.800 . 5.000 3.485 3.234 3.844 . 0 0 "[ . 1 . 2]" 1
152 1 32 LYS HA 1 35 ASP H 1.800 . 5.000 3.301 2.554 3.852 . 0 0 "[ . 1 . 2]" 1
153 1 33 MET HA 1 36 ASP H 1.800 . 5.000 3.713 3.248 3.877 . 0 0 "[ . 1 . 2]" 1
154 1 39 LEU HA 1 42 ILE H 1.800 . 5.000 3.710 3.371 3.965 . 0 0 "[ . 1 . 2]" 1
155 1 42 ILE HA 1 45 LEU H 1.800 . 5.000 3.555 3.397 3.731 . 0 0 "[ . 1 . 2]" 1
156 1 52 PRO HA 1 55 LEU H 1.800 . 5.000 3.537 3.338 3.740 . 0 0 "[ . 1 . 2]" 1
157 1 53 MET HA 1 56 LEU H 1.800 . 5.000 3.306 2.976 3.875 . 0 0 "[ . 1 . 2]" 1
158 1 54 GLN HA 1 57 GLU H 1.800 . 5.000 2.995 2.569 3.237 . 0 0 "[ . 1 . 2]" 1
159 1 55 LEU HA 1 58 VAL H 1.800 . 5.000 3.277 3.150 3.412 . 0 0 "[ . 1 . 2]" 1
160 1 56 LEU HA 1 59 ILE H 1.800 . 5.000 3.149 2.954 3.278 . 0 0 "[ . 1 . 2]" 1
161 1 57 GLU HA 1 60 ARG H 1.800 . 5.000 3.311 2.830 3.613 . 0 0 "[ . 1 . 2]" 1
162 1 58 VAL HA 1 61 ARG H 1.800 . 5.000 3.420 3.244 3.600 . 0 0 "[ . 1 . 2]" 1
163 1 59 ILE HA 1 62 PHE H 1.800 . 5.000 3.518 3.123 3.741 . 0 0 "[ . 1 . 2]" 1
164 1 60 ARG HA 1 63 GLU H 1.800 . 5.000 2.857 2.399 3.587 . 0 0 "[ . 1 . 2]" 1
165 1 61 ARG HA 1 64 ASP H 1.800 . 5.000 3.695 3.450 4.319 . 0 0 "[ . 1 . 2]" 1
166 1 62 PHE HA 1 65 ARG H 1.800 . 5.000 3.411 3.080 3.799 . 0 0 "[ . 1 . 2]" 1
167 1 68 MET HA 1 71 ALA H 1.800 . 3.500 3.418 3.200 3.534 0.034 8 0 "[ . 1 . 2]" 1
168 1 69 GLU HA 1 72 ASN H 1.800 . 5.000 3.634 3.402 3.892 . 0 0 "[ . 1 . 2]" 1
169 1 70 ARG HA 1 73 LYS H 1.800 . 3.500 3.072 2.781 3.271 . 0 0 "[ . 1 . 2]" 1
170 1 71 ALA HA 1 74 ALA H 1.800 . 5.000 3.450 3.080 3.662 . 0 0 "[ . 1 . 2]" 1
171 1 72 ASN HA 1 75 ARG H 1.800 . 5.000 3.341 2.949 3.652 . 0 0 "[ . 1 . 2]" 1
172 1 73 LYS HA 1 76 ARG H 1.800 . 5.000 3.429 3.168 3.907 . 0 0 "[ . 1 . 2]" 1
173 1 74 ALA HA 1 77 ARG H 1.800 . 5.000 3.665 3.440 3.886 . 0 0 "[ . 1 . 2]" 1
174 1 75 ARG HA 1 78 CYS H 1.800 . 5.000 3.887 3.613 4.169 . 0 0 "[ . 1 . 2]" 1
175 1 76 ARG HA 1 79 GLY H 1.800 . 5.000 3.602 3.170 4.177 . 0 0 "[ . 1 . 2]" 1
176 1 78 CYS HA 1 81 VAL H 1.800 . 5.000 3.215 3.024 3.475 . 0 0 "[ . 1 . 2]" 1
177 1 79 GLY QA 1 82 PHE H 1.800 . 5.000 3.299 3.132 3.488 . 0 0 "[ . 1 . 2]" 1
178 1 80 GLU HA 1 83 ARG H 1.800 . 5.000 3.273 2.952 3.588 . 0 0 "[ . 1 . 2]" 1
179 1 81 VAL HA 1 84 TYR H 1.800 . 5.000 3.361 3.124 3.508 . 0 0 "[ . 1 . 2]" 1
180 1 82 PHE HA 1 85 ALA H 1.800 . 5.000 3.473 3.287 3.646 . 0 0 "[ . 1 . 2]" 1
181 1 83 ARG HA 1 86 ILE H 1.800 . 5.000 3.284 2.985 3.560 . 0 0 "[ . 1 . 2]" 1
182 1 84 TYR HA 1 87 VAL H 1.800 . 5.000 3.476 3.182 3.657 . 0 0 "[ . 1 . 2]" 1
183 1 85 ALA HA 1 88 THR H 1.800 . 5.000 3.328 3.184 3.499 . 0 0 "[ . 1 . 2]" 1
184 1 96 ALA HA 1 99 LEU H 1.800 . 5.000 3.358 3.111 3.776 . 0 0 "[ . 1 . 2]" 1
185 1 97 PRO HA 1 100 ALA H 1.800 . 5.000 3.513 3.275 3.902 . 0 0 "[ . 1 . 2]" 1
186 1 98 ASP HA 1 101 ASP H 1.800 . 5.000 3.193 2.836 3.426 . 0 0 "[ . 1 . 2]" 1
187 1 99 LEU HA 1 102 ALA H 1.800 . 5.000 3.616 3.268 3.914 . 0 0 "[ . 1 . 2]" 1
188 1 100 ALA HA 1 103 MET H 1.800 . 5.000 3.568 3.278 3.827 . 0 0 "[ . 1 . 2]" 1
189 1 101 ASP HA 1 104 LYS H 1.800 . 5.000 3.404 3.068 3.691 . 0 0 "[ . 1 . 2]" 1
190 1 103 MET HA 1 106 TYR H 1.800 . 5.000 3.816 3.136 4.611 . 0 0 "[ . 1 . 2]" 1
191 1 7 PHE HA 1 11 TYR H 1.800 . 5.000 3.837 3.672 3.991 . 0 0 "[ . 1 . 2]" 1
192 1 9 ALA HA 1 13 GLU H 1.800 . 5.000 4.466 4.212 4.629 . 0 0 "[ . 1 . 2]" 1
193 1 11 TYR HA 1 15 TYR H 1.800 . 5.000 3.741 3.533 3.923 . 0 0 "[ . 1 . 2]" 1
194 1 12 LYS HA 1 16 GLU H 1.800 . 5.000 3.796 3.578 4.175 . 0 0 "[ . 1 . 2]" 1
195 1 13 GLU HA 1 17 HIS H 1.800 . 5.000 4.247 3.901 4.469 . 0 0 "[ . 1 . 2]" 1
196 1 14 TRP HA 1 18 LYS H 1.800 . 5.000 4.039 3.843 4.207 . 0 0 "[ . 1 . 2]" 1
197 1 15 TYR HA 1 19 LYS H 1.800 . 5.000 4.039 3.822 4.255 . 0 0 "[ . 1 . 2]" 1
198 1 24 VAL HA 1 28 THR H 1.800 . 5.000 3.810 3.632 4.046 . 0 0 "[ . 1 . 2]" 1
199 1 26 TYR HA 1 30 LEU H 1.800 . 5.000 3.890 3.631 4.068 . 0 0 "[ . 1 . 2]" 1
200 1 27 ALA HA 1 31 ALA H 1.800 . 5.000 3.920 3.791 4.072 . 0 0 "[ . 1 . 2]" 1
201 1 28 THR HA 1 32 LYS H 1.800 . 5.000 3.959 3.703 4.296 . 0 0 "[ . 1 . 2]" 1
202 1 29 GLU HA 1 33 MET H 1.800 . 5.000 4.027 3.775 4.341 . 0 0 "[ . 1 . 2]" 1
203 1 30 LEU HA 1 34 PHE H 1.800 . 5.000 4.228 3.906 4.550 . 0 0 "[ . 1 . 2]" 1
204 1 31 ALA HA 1 35 ASP H 1.800 . 5.000 3.932 3.468 4.350 . 0 0 "[ . 1 . 2]" 1
205 1 32 LYS HA 1 36 ASP H 1.800 . 5.000 3.664 3.361 4.020 . 0 0 "[ . 1 . 2]" 1
206 1 33 MET HA 1 37 ASP H 1.800 . 5.000 4.063 3.572 4.368 . 0 0 "[ . 1 . 2]" 1
207 1 34 PHE HA 1 38 ILE H 1.800 . 5.000 3.334 2.760 3.781 . 0 0 "[ . 1 . 2]" 1
208 1 35 ASP HA 1 39 LEU H 1.800 . 5.000 3.156 2.725 3.453 . 0 0 "[ . 1 . 2]" 1
209 1 38 ILE HA 1 42 ILE H 1.800 . 5.000 3.930 3.548 4.230 . 0 0 "[ . 1 . 2]" 1
210 1 39 LEU HA 1 43 GLY H 1.800 . 5.000 2.676 2.342 3.196 . 0 0 "[ . 1 . 2]" 1
211 1 52 PRO HA 1 56 LEU H 1.800 . 5.000 4.120 3.777 4.471 . 0 0 "[ . 1 . 2]" 1
212 1 53 MET HA 1 57 GLU H 1.800 . 5.000 4.064 3.872 4.446 . 0 0 "[ . 1 . 2]" 1
213 1 56 LEU HA 1 60 ARG H 1.800 . 5.000 3.851 3.625 4.105 . 0 0 "[ . 1 . 2]" 1
214 1 57 GLU HA 1 61 ARG H 1.800 . 5.000 3.888 3.654 4.088 . 0 0 "[ . 1 . 2]" 1
215 1 58 VAL HA 1 62 PHE H 1.800 . 5.000 4.629 4.556 4.686 . 0 0 "[ . 1 . 2]" 1
216 1 60 ARG HA 1 64 ASP H 1.800 . 5.000 3.813 3.242 4.129 . 0 0 "[ . 1 . 2]" 1
217 1 63 GLU HA 1 67 ALA H 1.800 . 5.000 3.577 2.880 4.242 . 0 0 "[ . 1 . 2]" 1
218 1 68 MET HA 1 72 ASN H 1.800 . 5.000 4.205 3.932 4.547 . 0 0 "[ . 1 . 2]" 1
219 1 69 GLU HA 1 73 LYS H 1.800 . 5.000 4.199 4.018 4.591 . 0 0 "[ . 1 . 2]" 1
220 1 70 ARG HA 1 74 ALA H 1.800 . 5.000 3.762 3.546 4.025 . 0 0 "[ . 1 . 2]" 1
221 1 72 ASN HA 1 76 ARG H 1.800 . 5.000 4.085 3.824 4.583 . 0 0 "[ . 1 . 2]" 1
222 1 77 ARG HA 1 81 VAL H 1.800 . 5.000 4.189 3.935 4.615 . 0 0 "[ . 1 . 2]" 1
223 1 78 CYS HA 1 82 PHE H 1.800 . 5.000 4.043 3.872 4.148 . 0 0 "[ . 1 . 2]" 1
224 1 81 VAL HA 1 85 ALA H 1.800 . 5.000 4.120 3.981 4.348 . 0 0 "[ . 1 . 2]" 1
225 1 83 ARG HA 1 87 VAL H 1.800 . 5.000 4.173 3.945 4.449 . 0 0 "[ . 1 . 2]" 1
226 1 86 ILE HA 1 90 ARG H 1.800 . 5.000 3.672 3.175 3.976 . 0 0 "[ . 1 . 2]" 1
227 1 97 PRO HA 1 101 ASP H 1.800 . 5.000 4.390 4.082 4.699 . 0 0 "[ . 1 . 2]" 1
228 1 98 ASP HA 1 102 ALA H 1.800 . 5.000 3.851 3.506 4.270 . 0 0 "[ . 1 . 2]" 1
229 1 99 LEU HA 1 103 MET H 1.800 . 5.000 4.052 3.792 4.406 . 0 0 "[ . 1 . 2]" 1
230 1 100 ALA HA 1 104 LYS H 1.800 . 5.000 4.281 3.933 4.559 . 0 0 "[ . 1 . 2]" 1
231 1 8 SER QB 1 9 ALA H 1.800 . 4.500 2.945 2.611 3.363 . 0 0 "[ . 1 . 2]" 1
232 1 10 ILE HB 1 11 TYR H 1.800 . 5.000 2.727 2.629 2.857 . 0 0 "[ . 1 . 2]" 1
233 1 16 GLU QB 1 17 HIS H 1.800 . 4.500 2.765 2.432 3.104 . 0 0 "[ . 1 . 2]" 1
234 1 21 VAL HB 1 22 TRP H 1.800 . 5.000 2.602 2.304 4.185 . 0 0 "[ . 1 . 2]" 1
235 1 23 SER QB 1 24 VAL H 1.800 . 3.500 2.826 2.532 3.035 . 0 0 "[ . 1 . 2]" 1
236 1 24 VAL HB 1 25 GLY H 1.800 . 5.000 3.715 2.526 4.037 . 0 0 "[ . 1 . 2]" 1
237 1 26 TYR QB 1 27 ALA H 1.800 . 4.500 2.579 2.448 2.750 . 0 0 "[ . 1 . 2]" 1
238 1 28 THR HB 1 29 GLU H 1.800 . 3.500 2.596 2.443 2.849 . 0 0 "[ . 1 . 2]" 1
239 1 29 GLU QB 1 30 LEU H 1.800 . 4.500 2.526 2.306 2.982 . 0 0 "[ . 1 . 2]" 1
240 1 38 ILE HB 1 39 LEU H 1.800 . 5.000 2.860 2.654 3.024 . 0 0 "[ . 1 . 2]" 1
241 1 41 ILE HB 1 42 ILE H 1.800 . 5.000 2.244 2.076 2.401 . 0 0 "[ . 1 . 2]" 1
242 1 47 ILE HB 1 48 GLN H 1.800 . 5.000 4.048 3.997 4.109 . 0 0 "[ . 1 . 2]" 1
243 1 50 ILE HB 1 51 GLU H 1.800 . 5.000 4.189 4.117 4.298 . 0 0 "[ . 1 . 2]" 1
244 1 58 VAL HB 1 59 ILE H 1.800 . 5.000 2.323 2.210 2.476 . 0 0 "[ . 1 . 2]" 1
245 1 59 ILE HB 1 60 ARG H 1.800 . 5.000 2.761 2.394 2.946 . 0 0 "[ . 1 . 2]" 1
246 1 60 ARG QB 1 61 ARG H 1.800 . 4.500 2.858 2.461 3.271 . 0 0 "[ . 1 . 2]" 1
247 1 72 ASN QB 1 73 LYS H 1.800 . 3.500 2.705 2.509 2.979 . 0 0 "[ . 1 . 2]" 1
248 1 81 VAL HB 1 82 PHE H 1.800 . 5.000 2.521 2.435 2.642 . 0 0 "[ . 1 . 2]" 1
249 1 86 ILE HB 1 87 VAL H 1.800 . 3.500 2.584 2.466 2.771 . 0 0 "[ . 1 . 2]" 1
250 1 87 VAL HB 1 88 THR H 1.800 . 5.000 2.762 2.429 3.932 . 0 0 "[ . 1 . 2]" 1
251 1 88 THR HB 1 89 GLY H 1.800 . 5.000 4.151 2.859 4.411 . 0 0 "[ . 1 . 2]" 1
252 1 99 LEU QB 1 100 ALA H 1.800 . 4.500 2.464 2.322 2.604 . 0 0 "[ . 1 . 2]" 1
253 1 101 ASP QB 1 102 ALA H 1.800 . 4.500 2.580 2.270 2.849 . 0 0 "[ . 1 . 2]" 1
254 1 7 PHE QD 1 8 SER H 1.800 . 5.000 3.710 3.434 3.996 . 0 0 "[ . 1 . 2]" 1
255 1 10 ILE MD 1 11 TYR H 1.800 . 5.000 4.660 4.516 4.749 . 0 0 "[ . 1 . 2]" 1
256 1 10 ILE QG 1 11 TYR H 1.800 . 5.000 3.972 3.813 4.064 . 0 0 "[ . 1 . 2]" 1
257 1 10 ILE MG 1 11 TYR H 1.800 . 5.000 3.579 3.484 3.793 . 0 0 "[ . 1 . 2]" 1
258 1 12 LYS QG 1 13 GLU H 1.800 . 5.000 3.707 3.334 4.444 . 0 0 "[ . 1 . 2]" 1
259 1 13 GLU QG 1 14 TRP H 1.800 . 5.000 3.692 3.405 4.126 . 0 0 "[ . 1 . 2]" 1
260 1 14 TRP HE3 1 15 TYR H 1.800 . 5.000 2.757 2.497 3.114 . 0 0 "[ . 1 . 2]" 1
261 1 15 TYR QD 1 16 GLU H 1.800 . 5.000 3.329 3.044 3.696 . 0 0 "[ . 1 . 2]" 1
262 1 16 GLU QG 1 17 HIS H 1.800 . 5.000 4.067 3.752 4.378 . 0 0 "[ . 1 . 2]" 1
263 1 18 LYS QG 1 19 LYS H 1.800 . 5.000 4.378 3.941 4.580 . 0 0 "[ . 1 . 2]" 1
264 1 19 LYS QG 1 20 GLN H 1.800 . 5.000 3.913 2.753 4.301 . 0 0 "[ . 1 . 2]" 1
265 1 21 VAL MG1 1 22 TRP H 1.800 . 5.000 3.494 3.287 4.161 . 0 0 "[ . 1 . 2]" 1
266 1 21 VAL MG2 1 22 TRP H 1.800 . 5.000 3.674 2.815 3.793 . 0 0 "[ . 1 . 2]" 1
267 1 22 TRP HD1 1 23 SER H 1.800 . 5.000 4.343 4.228 4.470 . 0 0 "[ . 1 . 2]" 1
268 1 24 VAL MG1 1 25 GLY H 1.800 . 5.000 2.416 1.986 3.578 . 0 0 "[ . 1 . 2]" 1
269 1 24 VAL MG2 1 25 GLY H 1.800 . 5.000 3.705 3.570 3.870 . 0 0 "[ . 1 . 2]" 1
270 1 26 TYR QD 1 27 ALA H 1.800 . 5.000 3.608 3.297 3.950 . 0 0 "[ . 1 . 2]" 1
271 1 28 THR MG 1 29 GLU H 1.800 . 5.000 3.537 3.370 3.857 . 0 0 "[ . 1 . 2]" 1
272 1 29 GLU QG 1 30 LEU H 1.800 . 5.000 3.865 3.378 4.268 . 0 0 "[ . 1 . 2]" 1
273 1 30 LEU MD1 1 31 ALA H 1.800 . 5.000 4.648 4.484 4.770 . 0 0 "[ . 1 . 2]" 1
274 1 30 LEU MD2 1 31 ALA H 1.800 . 5.000 3.139 2.761 3.592 . 0 0 "[ . 1 . 2]" 1
275 1 32 LYS QG 1 33 MET H 1.800 . 5.000 3.738 3.257 4.438 . 0 0 "[ . 1 . 2]" 1
276 1 33 MET ME 1 34 PHE H 1.800 . 5.000 3.659 2.917 4.346 . 0 0 "[ . 1 . 2]" 1
277 1 38 ILE MD 1 39 LEU H 1.800 . 5.000 4.622 4.008 4.900 . 0 0 "[ . 1 . 2]" 1
278 1 38 ILE MG 1 39 LEU H 1.800 . 5.000 3.539 3.018 3.890 . 0 0 "[ . 1 . 2]" 1
279 1 40 PRO QD 1 41 ILE H 1.800 . 5.000 2.854 2.695 3.027 . 0 0 "[ . 1 . 2]" 1
280 1 41 ILE MD 1 42 ILE H 1.800 . 5.000 4.565 4.349 4.719 . 0 0 "[ . 1 . 2]" 1
281 1 41 ILE QG 1 42 ILE H 1.800 . 5.000 3.829 3.712 3.954 . 0 0 "[ . 1 . 2]" 1
282 1 41 ILE MG 1 42 ILE H 1.800 . 5.000 3.180 3.016 3.304 . 0 0 "[ . 1 . 2]" 1
283 1 42 ILE MD 1 43 GLY H 1.800 . 5.000 4.672 4.442 4.912 . 0 0 "[ . 1 . 2]" 1
284 1 42 ILE QG 1 43 GLY H 1.800 . 5.000 3.083 2.815 3.332 . 0 0 "[ . 1 . 2]" 1
285 1 42 ILE MG 1 43 GLY H 1.800 . 5.000 4.277 4.207 4.339 . 0 0 "[ . 1 . 2]" 1
286 1 45 LEU MD2 1 46 GLU H 1.800 . 5.000 3.420 3.238 3.579 . 0 0 "[ . 1 . 2]" 1
287 1 45 LEU HG 1 46 GLU H 1.800 . 5.000 4.932 4.840 5.027 0.027 19 0 "[ . 1 . 2]" 1
288 1 46 GLU QG 1 47 ILE H 1.800 . 5.000 3.946 2.491 4.498 . 0 0 "[ . 1 . 2]" 1
289 1 47 ILE MG 1 48 GLN H 1.800 . 5.000 2.528 2.249 2.687 . 0 0 "[ . 1 . 2]" 1
290 1 48 GLN QG 1 49 ASP H 1.800 . 5.000 4.190 4.028 4.412 . 0 0 "[ . 1 . 2]" 1
291 1 50 ILE MD 1 51 GLU H 1.800 . 5.000 5.005 4.843 5.060 0.060 5 0 "[ . 1 . 2]" 1
292 1 50 ILE MG 1 51 GLU H 1.800 . 5.000 2.617 2.475 2.848 . 0 0 "[ . 1 . 2]" 1
293 1 52 PRO QD 1 53 MET H 1.800 . 5.000 2.840 2.566 3.134 . 0 0 "[ . 1 . 2]" 1
294 1 52 PRO QG 1 53 MET H 1.800 . 5.000 3.236 2.379 3.816 . 0 0 "[ . 1 . 2]" 1
295 1 54 GLN QG 1 55 LEU H 1.800 . 5.000 4.149 3.744 4.538 . 0 0 "[ . 1 . 2]" 1
296 1 55 LEU MD1 1 56 LEU H 1.800 . 5.000 4.558 4.470 4.619 . 0 0 "[ . 1 . 2]" 1
297 1 55 LEU HG 1 56 LEU H 1.800 . 5.000 4.108 3.842 4.284 . 0 0 "[ . 1 . 2]" 1
298 1 56 LEU MD1 1 57 GLU H 1.800 . 5.000 3.614 3.266 4.900 . 0 0 "[ . 1 . 2]" 1
299 1 58 VAL MG1 1 59 ILE H 1.800 . 5.000 3.013 2.838 3.212 . 0 0 "[ . 1 . 2]" 1
300 1 58 VAL MG2 1 59 ILE H 1.800 . 5.000 3.777 3.686 3.898 . 0 0 "[ . 1 . 2]" 1
301 1 59 ILE MD 1 60 ARG H 1.800 . 5.000 4.230 4.052 4.551 . 0 0 "[ . 1 . 2]" 1
302 1 59 ILE QG 1 60 ARG H 1.800 . 5.000 4.449 3.842 4.618 . 0 0 "[ . 1 . 2]" 1
303 1 59 ILE MG 1 60 ARG H 1.800 . 5.000 2.990 2.781 3.639 . 0 0 "[ . 1 . 2]" 1
304 1 61 ARG QG 1 62 PHE H 1.800 . 5.000 3.526 3.077 4.277 . 0 0 "[ . 1 . 2]" 1
305 1 62 PHE QD 1 63 GLU H 1.800 . 5.000 4.274 4.042 4.432 . 0 0 "[ . 1 . 2]" 1
306 1 63 GLU QG 1 64 ASP H 1.800 . 5.000 3.881 3.370 4.260 . 0 0 "[ . 1 . 2]" 1
307 1 65 ARG QG 1 66 GLY H 1.800 . 5.000 4.185 3.572 4.575 . 0 0 "[ . 1 . 2]" 1
308 1 69 GLU QG 1 70 ARG H 1.800 . 5.000 3.890 3.356 4.494 . 0 0 "[ . 1 . 2]" 1
309 1 70 ARG QG 1 71 ALA H 1.800 . 5.000 4.219 3.919 4.646 . 0 0 "[ . 1 . 2]" 1
310 1 73 LYS QG 1 74 ALA H 1.800 . 5.000 4.063 3.575 4.628 . 0 0 "[ . 1 . 2]" 1
311 1 75 ARG QG 1 76 ARG H 1.800 . 5.000 3.496 3.287 3.757 . 0 0 "[ . 1 . 2]" 1
312 1 76 ARG QG 1 77 ARG H 1.800 . 5.000 3.955 3.155 4.350 . 0 0 "[ . 1 . 2]" 1
313 1 80 GLU QG 1 81 VAL H 1.800 . 5.000 3.767 3.224 4.234 . 0 0 "[ . 1 . 2]" 1
314 1 81 VAL MG1 1 82 PHE H 1.800 . 5.000 3.404 3.311 3.509 . 0 0 "[ . 1 . 2]" 1
315 1 81 VAL MG2 1 82 PHE H 1.800 . 5.000 3.773 3.705 3.857 . 0 0 "[ . 1 . 2]" 1
316 1 84 TYR QD 1 85 ALA H 1.800 . 5.000 3.721 3.137 4.105 . 0 0 "[ . 1 . 2]" 1
317 1 86 ILE MD 1 87 VAL H 1.800 . 5.000 4.566 4.408 4.719 . 0 0 "[ . 1 . 2]" 1
318 1 86 ILE QG 1 87 VAL H 1.800 . 5.000 4.005 3.884 4.097 . 0 0 "[ . 1 . 2]" 1
319 1 86 ILE MG 1 87 VAL H 1.800 . 5.000 3.380 3.145 3.561 . 0 0 "[ . 1 . 2]" 1
320 1 87 VAL MG1 1 88 THR H 1.800 . 5.000 3.562 3.299 3.994 . 0 0 "[ . 1 . 2]" 1
321 1 87 VAL MG2 1 88 THR H 1.800 . 5.000 3.762 2.398 3.889 . 0 0 "[ . 1 . 2]" 1
322 1 88 THR MG 1 89 GLY H 1.800 . 5.000 3.673 2.696 4.337 . 0 0 "[ . 1 . 2]" 1
323 1 92 LYS QG 1 93 TYR H 1.800 . 5.000 3.882 2.854 4.389 . 0 0 "[ . 1 . 2]" 1
324 1 93 TYR QD 1 94 ASN H 1.800 . 5.000 3.207 2.697 3.591 . 0 0 "[ . 1 . 2]" 1
325 1 95 PRO QD 1 96 ALA H 1.800 . 5.000 3.407 2.901 3.813 . 0 0 "[ . 1 . 2]" 1
326 1 97 PRO QD 1 98 ASP H 1.800 . 5.000 2.839 2.402 3.208 . 0 0 "[ . 1 . 2]" 1
327 1 97 PRO QG 1 98 ASP H 1.800 . 5.000 2.627 2.216 3.743 . 0 0 "[ . 1 . 2]" 1
328 1 99 LEU MD1 1 100 ALA H 1.800 . 5.000 3.089 2.828 3.480 . 0 0 "[ . 1 . 2]" 1
329 1 99 LEU MD2 1 100 ALA H 1.800 . 5.000 4.212 4.022 4.427 . 0 0 "[ . 1 . 2]" 1
330 1 104 LYS QG 1 105 GLY H 1.800 . 5.000 3.719 3.338 4.142 . 0 0 "[ . 1 . 2]" 1
331 1 106 TYR QD 1 107 ARG H 1.800 . 5.000 4.117 3.516 4.749 . 0 0 "[ . 1 . 2]" 1
332 1 111 LEU MD2 1 112 GLU H 1.800 . 5.000 3.988 3.245 4.623 . 0 0 "[ . 1 . 2]" 1
333 1 111 LEU HG 1 112 GLU H 1.800 . 5.000 4.075 2.534 5.037 0.037 2 0 "[ . 1 . 2]" 1
334 1 4 ASN QB 1 6 SER H 1.800 . 5.000 3.767 2.071 4.773 . 0 0 "[ . 1 . 2]" 1
335 1 9 ALA MB 1 11 TYR H 1.800 . 5.000 4.356 4.217 4.461 . 0 0 "[ . 1 . 2]" 1
336 1 15 TYR QB 1 17 HIS H 1.800 . 5.000 4.644 4.449 4.913 . 0 0 "[ . 1 . 2]" 1
337 1 23 SER QB 1 25 GLY H 1.800 . 5.000 3.032 2.835 3.318 . 0 0 "[ . 1 . 2]" 1
338 1 27 ALA MB 1 29 GLU H 1.800 . 5.000 4.562 4.298 4.749 . 0 0 "[ . 1 . 2]" 1
339 1 46 GLU QB 1 48 GLN H 1.800 . 5.000 2.710 2.418 3.439 . 0 0 "[ . 1 . 2]" 1
340 1 51 GLU QB 1 53 MET H 1.800 . 5.000 2.954 2.432 4.246 . 0 0 "[ . 1 . 2]" 1
341 1 65 ARG QB 1 67 ALA H 1.800 . 5.000 2.810 2.166 3.287 . 0 0 "[ . 1 . 2]" 1
342 1 67 ALA MB 1 69 GLU H 1.800 . 5.000 4.085 3.616 4.393 . 0 0 "[ . 1 . 2]" 1
343 1 91 ALA MB 1 93 TYR H 1.800 . 5.000 3.344 2.907 4.056 . 0 0 "[ . 1 . 2]" 1
344 1 39 LEU MD2 1 41 ILE H 1.800 . 5.000 5.000 4.914 5.043 0.043 12 0 "[ . 1 . 2]" 1
345 1 46 GLU QG 1 48 GLN H 1.800 . 5.000 4.551 1.768 4.996 0.032 6 0 "[ . 1 . 2]" 1
346 1 47 ILE MG 1 49 ASP H 1.800 . 5.000 4.317 4.116 4.439 . 0 0 "[ . 1 . 2]" 1
347 1 52 PRO QD 1 54 GLN H 1.800 . 5.000 4.287 3.970 4.506 . 0 0 "[ . 1 . 2]" 1
348 1 59 ILE MG 1 61 ARG H 1.800 . 5.000 4.626 4.468 4.974 . 0 0 "[ . 1 . 2]" 1
349 1 65 ARG QG 1 67 ALA H 1.800 . 5.000 4.463 3.109 5.015 0.015 8 0 "[ . 1 . 2]" 1
350 1 87 VAL MG2 1 89 GLY H 1.800 . 5.000 4.990 4.439 5.053 0.053 7 0 "[ . 1 . 2]" 1
351 1 31 ALA MB 1 34 PHE H 1.800 . 5.000 4.612 4.468 4.832 . 0 0 "[ . 1 . 2]" 1
352 1 46 GLU QB 1 49 ASP H 1.800 . 5.000 2.852 2.553 3.178 . 0 0 "[ . 1 . 2]" 1
353 1 51 GLU QB 1 54 GLN H 1.800 . 5.000 2.663 2.085 3.563 . 0 0 "[ . 1 . 2]" 1
354 1 71 ALA MB 1 74 ALA H 1.800 . 5.000 4.570 4.320 4.737 . 0 0 "[ . 1 . 2]" 1
355 1 95 PRO QB 1 98 ASP H 1.800 . 5.000 4.167 3.875 4.559 . 0 0 "[ . 1 . 2]" 1
356 1 10 ILE MG 1 13 GLU H 1.800 . 5.000 4.546 4.417 4.678 . 0 0 "[ . 1 . 2]" 1
357 1 24 VAL MG1 1 27 ALA H 1.800 . 5.000 4.945 4.673 5.034 0.034 5 0 "[ . 1 . 2]" 1
358 1 24 VAL MG2 1 27 ALA H 1.800 . 5.000 4.859 4.680 5.101 0.101 9 0 "[ . 1 . 2]" 1
359 1 38 ILE MG 1 41 ILE H 1.800 . 5.000 4.304 4.145 4.436 . 0 0 "[ . 1 . 2]" 1
360 1 42 ILE MD 1 45 LEU H 1.800 . 5.000 5.074 5.051 5.094 0.094 14 0 "[ . 1 . 2]" 1
361 1 42 ILE MG 1 45 LEU H 1.800 . 5.000 5.017 4.943 5.046 0.046 1 0 "[ . 1 . 2]" 1
362 1 51 GLU QG 1 54 GLN H 1.800 . 5.000 3.758 1.778 4.645 0.022 4 0 "[ . 1 . 2]" 1
363 1 56 LEU MD1 1 59 ILE H 1.800 . 5.000 4.732 4.048 5.008 0.008 11 0 "[ . 1 . 2]" 1
364 1 58 VAL MG1 1 61 ARG H 1.800 . 5.000 4.517 4.310 4.634 . 0 0 "[ . 1 . 2]" 1
365 1 59 ILE MG 1 62 PHE H 1.800 . 5.000 4.554 4.289 4.708 . 0 0 "[ . 1 . 2]" 1
366 1 63 GLU QG 1 66 GLY H 1.800 . 5.000 4.665 4.002 5.046 0.046 10 0 "[ . 1 . 2]" 1
367 1 68 MET ME 1 71 ALA H 1.800 . 5.000 4.334 3.824 4.962 . 0 0 "[ . 1 . 2]" 1
368 1 86 ILE MG 1 89 GLY H 1.800 . 5.000 4.423 4.264 4.582 . 0 0 "[ . 1 . 2]" 1
369 1 99 LEU MD2 1 102 ALA H 1.800 . 5.000 4.507 4.094 4.817 . 0 0 "[ . 1 . 2]" 1
370 1 31 ALA MB 1 35 ASP H 1.800 . 5.000 4.364 3.960 4.572 . 0 0 "[ . 1 . 2]" 1
371 1 95 PRO QB 1 99 LEU H 1.800 . 5.000 3.747 3.410 4.113 . 0 0 "[ . 1 . 2]" 1
372 1 10 ILE MG 1 14 TRP H 1.800 . 5.000 3.664 3.480 3.831 . 0 0 "[ . 1 . 2]" 1
373 1 24 VAL MG1 1 28 THR H 1.800 . 5.000 4.753 3.763 5.037 0.037 1 0 "[ . 1 . 2]" 1
374 1 28 THR MG 1 32 LYS H 1.800 . 5.000 4.002 3.781 4.208 . 0 0 "[ . 1 . 2]" 1
375 1 39 LEU MD2 1 43 GLY H 1.800 . 5.000 3.791 3.445 4.365 . 0 0 "[ . 1 . 2]" 1
376 1 50 ILE MG 1 54 GLN H 1.800 . 5.000 4.149 3.896 4.493 . 0 0 "[ . 1 . 2]" 1
377 1 55 LEU MD1 1 59 ILE H 1.800 . 5.000 4.512 4.312 4.653 . 0 0 "[ . 1 . 2]" 1
378 1 56 LEU MD1 1 60 ARG H 1.800 . 5.000 3.468 2.919 4.955 . 0 0 "[ . 1 . 2]" 1
379 1 56 LEU MD2 1 60 ARG H 1.800 . 5.000 3.354 2.533 5.035 0.035 14 0 "[ . 1 . 2]" 1
380 1 59 ILE MG 1 63 GLU H 1.800 . 5.000 3.968 3.659 4.305 . 0 0 "[ . 1 . 2]" 1
381 1 60 ARG QG 1 64 ASP H 1.800 . 5.000 4.269 3.482 5.082 0.082 8 0 "[ . 1 . 2]" 1
382 1 68 MET ME 1 72 ASN H 1.800 . 5.000 4.676 3.935 5.046 0.046 9 0 "[ . 1 . 2]" 1
383 1 81 VAL MG1 1 85 ALA H 1.800 . 5.000 4.059 3.876 4.320 . 0 0 "[ . 1 . 2]" 1
384 1 99 LEU MD1 1 103 MET H 1.800 . 5.000 3.925 3.515 4.249 . 0 0 "[ . 1 . 2]" 1
385 1 8 SER HA 1 11 TYR QB 1.800 . 5.000 2.315 1.794 2.938 0.006 11 0 "[ . 1 . 2]" 1
386 1 9 ALA HA 1 12 LYS QB 1.800 . 5.000 3.100 2.738 3.696 . 0 0 "[ . 1 . 2]" 1
387 1 10 ILE HA 1 13 GLU QB 1.800 . 5.000 2.670 2.294 2.921 . 0 0 "[ . 1 . 2]" 1
388 1 11 TYR HA 1 14 TRP QB 1.800 . 5.000 2.439 2.251 2.634 . 0 0 "[ . 1 . 2]" 1
389 1 12 LYS HA 1 15 TYR QB 1.800 . 5.000 2.400 1.992 2.946 . 0 0 "[ . 1 . 2]" 1
390 1 13 GLU HA 1 16 GLU QB 1.800 . 4.500 3.021 2.631 3.590 . 0 0 "[ . 1 . 2]" 1
391 1 14 TRP HA 1 17 HIS QB 1.800 . 4.500 2.886 2.566 3.527 . 0 0 "[ . 1 . 2]" 1
392 1 15 TYR HA 1 18 LYS QB 1.800 . 5.000 2.955 2.441 3.724 . 0 0 "[ . 1 . 2]" 1
393 1 16 GLU HA 1 19 LYS QB 1.800 . 5.000 2.443 2.019 3.727 . 0 0 "[ . 1 . 2]" 1
394 1 19 LYS HA 1 22 TRP QB 1.800 . 5.000 3.240 2.504 3.915 . 0 0 "[ . 1 . 2]" 1
395 1 24 VAL HA 1 27 ALA MB 1.800 . 5.000 2.397 2.161 2.710 . 0 0 "[ . 1 . 2]" 1
396 1 25 GLY QA 1 28 THR HB 1.800 . 5.000 3.163 2.735 3.531 . 0 0 "[ . 1 . 2]" 1
397 1 26 TYR HA 1 29 GLU QB 1.800 . 4.500 2.742 2.018 3.410 . 0 0 "[ . 1 . 2]" 1
398 1 27 ALA HA 1 30 LEU QB 1.800 . 5.000 2.668 2.325 2.968 . 0 0 "[ . 1 . 2]" 1
399 1 28 THR HA 1 31 ALA MB 1.800 . 5.000 2.660 2.160 3.149 . 0 0 "[ . 1 . 2]" 1
400 1 30 LEU HA 1 33 MET QB 1.800 . 5.000 3.002 2.300 4.348 . 0 0 "[ . 1 . 2]" 1
401 1 31 ALA HA 1 34 PHE QB 1.800 . 5.000 2.668 2.407 3.075 . 0 0 "[ . 1 . 2]" 1
402 1 32 LYS HA 1 35 ASP QB 1.800 . 5.000 2.417 1.714 3.890 0.086 3 0 "[ . 1 . 2]" 1
403 1 33 MET HA 1 36 ASP QB 1.800 . 5.000 3.126 2.446 3.609 . 0 0 "[ . 1 . 2]" 1
404 1 42 ILE HA 1 45 LEU QB 1.800 . 5.000 3.042 2.884 3.136 . 0 0 "[ . 1 . 2]" 1
405 1 52 PRO HA 1 55 LEU QB 1.800 . 5.000 2.891 2.630 3.254 . 0 0 "[ . 1 . 2]" 1
406 1 53 MET HA 1 56 LEU QB 1.800 . 5.000 2.347 1.790 3.002 0.010 10 0 "[ . 1 . 2]" 1
407 1 54 GLN HA 1 57 GLU QB 1.800 . 5.000 2.298 2.098 2.602 . 0 0 "[ . 1 . 2]" 1
408 1 55 LEU HA 1 58 VAL HB 1.800 . 5.000 3.102 2.609 3.415 . 0 0 "[ . 1 . 2]" 1
409 1 56 LEU HA 1 59 ILE HB 1.800 . 5.000 2.528 2.354 2.839 . 0 0 "[ . 1 . 2]" 1
410 1 57 GLU HA 1 60 ARG QB 1.800 . 5.000 2.324 1.903 2.740 . 0 0 "[ . 1 . 2]" 1
411 1 58 VAL HA 1 61 ARG QB 1.800 . 5.000 2.544 2.275 2.694 . 0 0 "[ . 1 . 2]" 1
412 1 59 ILE HA 1 62 PHE QB 1.800 . 5.000 3.224 2.725 3.581 . 0 0 "[ . 1 . 2]" 1
413 1 60 ARG HA 1 63 GLU QB 1.800 . 5.000 2.052 1.719 2.713 0.081 16 0 "[ . 1 . 2]" 1
414 1 61 ARG HA 1 64 ASP QB 1.800 . 5.000 3.144 2.563 4.026 . 0 0 "[ . 1 . 2]" 1
415 1 62 PHE HA 1 65 ARG QB 1.800 . 5.000 3.010 2.184 3.652 . 0 0 "[ . 1 . 2]" 1
416 1 68 MET HA 1 71 ALA MB 1.800 . 5.000 2.534 2.186 2.796 . 0 0 "[ . 1 . 2]" 1
417 1 69 GLU HA 1 72 ASN QB 1.800 . 5.000 3.082 2.605 3.422 . 0 0 "[ . 1 . 2]" 1
418 1 70 ARG HA 1 73 LYS QB 1.800 . 5.000 2.008 1.759 2.248 0.041 8 0 "[ . 1 . 2]" 1
419 1 71 ALA HA 1 74 ALA MB 1.800 . 5.000 2.786 2.421 3.075 . 0 0 "[ . 1 . 2]" 1
420 1 72 ASN HA 1 75 ARG QB 1.800 . 5.000 2.584 1.867 3.134 . 0 0 "[ . 1 . 2]" 1
421 1 74 ALA HA 1 77 ARG QB 1.800 . 5.000 2.978 2.624 3.694 . 0 0 "[ . 1 . 2]" 1
422 1 75 ARG HA 1 78 CYS QB 1.800 . 5.000 3.067 2.634 4.124 . 0 0 "[ . 1 . 2]" 1
423 1 77 ARG HA 1 80 GLU QB 1.800 . 5.000 2.536 1.935 3.091 . 0 0 "[ . 1 . 2]" 1
424 1 78 CYS HA 1 81 VAL HB 1.800 . 5.000 2.745 2.371 2.948 . 0 0 "[ . 1 . 2]" 1
425 1 79 GLY HA3 1 82 PHE QB 1.800 . 5.000 3.936 3.665 4.167 . 0 0 "[ . 1 . 2]" 1
426 1 79 GLY HA2 1 82 PHE QB 1.800 . 5.000 2.452 2.155 2.728 . 0 0 "[ . 1 . 2]" 1
427 1 80 GLU HA 1 83 ARG QB 1.800 . 4.500 2.361 1.905 2.842 . 0 0 "[ . 1 . 2]" 1
428 1 81 VAL HA 1 84 TYR QB 1.800 . 5.000 2.536 2.311 3.011 . 0 0 "[ . 1 . 2]" 1
429 1 82 PHE HA 1 85 ALA MB 1.800 . 5.000 2.708 2.432 3.008 . 0 0 "[ . 1 . 2]" 1
430 1 83 ARG HA 1 86 ILE HB 1.800 . 5.000 2.713 2.449 2.989 . 0 0 "[ . 1 . 2]" 1
431 1 84 TYR HA 1 87 VAL HB 1.800 . 5.000 3.002 2.523 5.034 0.034 13 0 "[ . 1 . 2]" 1
432 1 95 PRO HA 1 98 ASP QB 1.800 . 5.000 2.985 2.622 3.586 . 0 0 "[ . 1 . 2]" 1
433 1 96 ALA HA 1 99 LEU QB 1.800 . 5.000 2.480 1.979 3.102 . 0 0 "[ . 1 . 2]" 1
434 1 97 PRO HA 1 100 ALA MB 1.800 . 5.000 2.925 2.505 3.443 . 0 0 "[ . 1 . 2]" 1
435 1 98 ASP HA 1 101 ASP QB 1.800 . 5.000 2.497 1.947 3.006 . 0 0 "[ . 1 . 2]" 1
436 1 99 LEU HA 1 102 ALA MB 1.800 . 5.000 2.785 2.400 3.441 . 0 0 "[ . 1 . 2]" 1
437 1 100 ALA HA 1 103 MET QB 1.800 . 5.000 2.665 2.285 2.982 . 0 0 "[ . 1 . 2]" 1
438 1 101 ASP HA 1 104 LYS QB 1.800 . 5.000 2.733 1.912 3.479 . 0 0 "[ . 1 . 2]" 1
439 1 103 MET HA 1 106 TYR QB 1.800 . 5.000 2.992 2.334 4.987 . 0 0 "[ . 1 . 2]" 1
440 1 7 PHE HA 1 10 ILE MD 1.800 . 5.000 3.435 3.069 3.707 . 0 0 "[ . 1 . 2]" 1
441 1 7 PHE HA 1 10 ILE QG 1.800 . 5.000 3.916 3.399 4.275 . 0 0 "[ . 1 . 2]" 1
442 1 7 PHE HA 1 10 ILE MG 1.800 . 5.000 4.572 4.332 4.862 . 0 0 "[ . 1 . 2]" 1
443 1 10 ILE HA 1 13 GLU QG 1.800 . 5.000 4.292 2.916 4.986 . 0 0 "[ . 1 . 2]" 1
444 1 11 TYR HA 1 14 TRP HE3 1.800 . 5.000 3.039 2.835 3.157 . 0 0 "[ . 1 . 2]" 1
445 1 11 TYR HA 1 14 TRP HZ3 1.800 . 5.000 4.995 4.826 5.052 0.052 7 0 "[ . 1 . 2]" 1
446 1 12 LYS HA 1 15 TYR QD 1.800 . 5.000 3.315 2.703 3.863 . 0 0 "[ . 1 . 2]" 1
447 1 14 TRP HA 1 17 HIS HD2 1.800 . 5.000 4.494 2.494 5.090 0.090 3 0 "[ . 1 . 2]" 1
448 1 16 GLU HA 1 19 LYS QD 1.800 . 5.000 2.958 2.151 4.187 . 0 0 "[ . 1 . 2]" 1
449 1 16 GLU HA 1 19 LYS QE 1.800 . 5.000 4.105 1.907 5.018 0.018 9 0 "[ . 1 . 2]" 1
450 1 16 GLU HA 1 19 LYS QG 1.800 . 5.000 4.125 3.415 4.465 . 0 0 "[ . 1 . 2]" 1
451 1 17 HIS HA 1 20 GLN QE 1.800 . 5.000 4.352 3.480 5.022 0.022 1 0 "[ . 1 . 2]" 1
452 1 17 HIS HA 1 20 GLN QG 1.800 . 5.000 3.353 2.637 3.933 . 0 0 "[ . 1 . 2]" 1
453 1 18 LYS HA 1 21 VAL MG2 1.800 . 5.000 2.426 1.902 3.033 . 0 0 "[ . 1 . 2]" 1
454 1 19 LYS HA 1 22 TRP HZ3 1.800 . 5.000 4.885 4.556 5.031 0.031 14 0 "[ . 1 . 2]" 1
455 1 26 TYR HA 1 29 GLU QG 1.800 . 5.000 4.082 2.897 4.819 . 0 0 "[ . 1 . 2]" 1
456 1 27 ALA HA 1 30 LEU MD1 1.800 . 5.000 3.799 3.234 4.581 . 0 0 "[ . 1 . 2]" 1
457 1 27 ALA HA 1 30 LEU MD2 1.800 . 5.000 3.800 2.901 4.130 . 0 0 "[ . 1 . 2]" 1
458 1 31 ALA HA 1 34 PHE QD 1.800 . 5.000 4.256 3.436 4.790 . 0 0 "[ . 1 . 2]" 1
459 1 42 ILE HA 1 45 LEU MD1 1.800 . 5.000 1.894 1.792 2.027 0.008 16 0 "[ . 1 . 2]" 1
460 1 42 ILE HA 1 45 LEU HG 1.800 . 5.000 2.436 2.193 2.705 . 0 0 "[ . 1 . 2]" 1
461 1 47 ILE HA 1 50 ILE MD 1.800 . 5.000 2.221 1.914 2.663 . 0 0 "[ . 1 . 2]" 1
462 1 47 ILE HA 1 50 ILE QG 1.800 . 5.000 2.671 2.216 2.992 . 0 0 "[ . 1 . 2]" 1
463 1 52 PRO HA 1 55 LEU MD2 1.800 . 5.000 3.766 3.414 4.196 . 0 0 "[ . 1 . 2]" 1
464 1 53 MET HA 1 56 LEU MD1 1.800 . 5.000 3.813 3.057 4.980 . 0 0 "[ . 1 . 2]" 1
465 1 54 GLN HA 1 57 GLU QG 1.800 . 5.000 4.107 3.586 4.619 . 0 0 "[ . 1 . 2]" 1
466 1 55 LEU HA 1 58 VAL MG2 1.800 . 5.000 2.598 2.413 2.893 . 0 0 "[ . 1 . 2]" 1
467 1 56 LEU HA 1 59 ILE MD 1.800 . 5.000 3.217 2.632 4.388 . 0 0 "[ . 1 . 2]" 1
468 1 56 LEU HA 1 59 ILE QG 1.800 . 5.000 3.762 2.211 4.246 . 0 0 "[ . 1 . 2]" 1
469 1 56 LEU HA 1 59 ILE MG 1.800 . 5.000 3.840 3.577 4.288 . 0 0 "[ . 1 . 2]" 1
470 1 58 VAL HA 1 61 ARG QD 1.800 . 5.000 4.722 3.027 5.055 0.055 14 0 "[ . 1 . 2]" 1
471 1 58 VAL HA 1 61 ARG QG 1.800 . 5.000 3.867 3.593 4.083 . 0 0 "[ . 1 . 2]" 1
472 1 59 ILE HA 1 62 PHE QD 1.800 . 5.000 2.584 2.208 3.139 . 0 0 "[ . 1 . 2]" 1
473 1 60 ARG HA 1 63 GLU QG 1.800 . 5.000 3.314 2.115 4.739 . 0 0 "[ . 1 . 2]" 1
474 1 62 PHE HA 1 65 ARG QG 1.800 . 5.000 3.533 2.389 4.772 . 0 0 "[ . 1 . 2]" 1
475 1 69 GLU HA 1 72 ASN QD 1.800 . 5.000 3.677 2.763 4.883 . 0 0 "[ . 1 . 2]" 1
476 1 70 ARG HA 1 73 LYS QG 1.800 . 5.000 3.455 2.723 4.224 . 0 0 "[ . 1 . 2]" 1
477 1 77 ARG HA 1 80 GLU QG 1.800 . 5.000 4.199 2.930 5.035 0.035 7 0 "[ . 1 . 2]" 1
478 1 78 CYS HA 1 81 VAL MG1 1.800 . 5.000 4.089 3.706 4.312 . 0 0 "[ . 1 . 2]" 1
479 1 78 CYS HA 1 81 VAL MG2 1.800 . 5.000 2.617 2.285 3.043 . 0 0 "[ . 1 . 2]" 1
480 1 79 GLY QA 1 82 PHE QD 1.800 . 5.000 2.013 1.782 3.698 0.018 13 0 "[ . 1 . 2]" 1
481 1 81 VAL HA 1 84 TYR QD 1.800 . 5.000 4.289 3.650 4.849 . 0 0 "[ . 1 . 2]" 1
482 1 83 ARG HA 1 86 ILE MD 1.800 . 5.000 2.253 1.867 2.739 . 0 0 "[ . 1 . 2]" 1
483 1 83 ARG HA 1 86 ILE MG 1.800 . 5.000 4.035 3.784 4.302 . 0 0 "[ . 1 . 2]" 1
484 1 84 TYR HA 1 87 VAL MG1 1.800 . 5.000 4.203 3.852 4.553 . 0 0 "[ . 1 . 2]" 1
485 1 84 TYR HA 1 87 VAL MG2 1.800 . 5.000 2.932 2.054 3.228 . 0 0 "[ . 1 . 2]" 1
486 1 85 ALA HA 1 88 THR MG 1.800 . 5.000 2.912 1.789 3.808 0.011 6 0 "[ . 1 . 2]" 1
487 1 100 ALA HA 1 103 MET ME 1.800 . 5.000 3.200 2.537 3.963 . 0 0 "[ . 1 . 2]" 1
488 1 100 ALA HA 1 103 MET QG 1.800 . 5.000 4.628 4.189 4.977 . 0 0 "[ . 1 . 2]" 1
489 1 103 MET HA 1 106 TYR QD 1.800 . 5.000 4.395 3.084 5.038 0.038 6 0 "[ . 1 . 2]" 1
490 1 7 PHE H 1 47 ILE H 1.800 . 5.000 3.604 3.306 3.858 . 0 0 "[ . 1 . 2]" 1
491 1 32 LYS H 1 35 ASP H 1.800 . 5.000 4.569 4.337 4.742 . 0 0 "[ . 1 . 2]" 1
492 1 75 ARG H 1 78 CYS H 1.800 . 5.000 4.795 4.682 4.937 . 0 0 "[ . 1 . 2]" 1
493 1 6 SER HA 1 47 ILE H 1.800 . 5.000 3.143 2.776 3.510 . 0 0 "[ . 1 . 2]" 1
494 1 62 PHE HA 1 67 ALA H 1.800 . 5.000 4.127 3.792 4.435 . 0 0 "[ . 1 . 2]" 1
495 1 85 ALA HA 1 91 ALA H 1.800 . 5.000 4.207 3.676 4.579 . 0 0 "[ . 1 . 2]" 1
496 1 86 ILE HA 1 91 ALA H 1.800 . 3.500 2.768 2.513 3.203 . 0 0 "[ . 1 . 2]" 1
497 1 7 PHE H 1 46 GLU HA 1.800 . 5.000 3.100 2.457 3.673 . 0 0 "[ . 1 . 2]" 1
498 1 7 PHE H 1 47 ILE HA 1.800 . 5.000 4.472 4.215 4.727 . 0 0 "[ . 1 . 2]" 1
499 1 8 SER H 1 43 GLY QA 1.800 . 5.000 3.356 2.910 3.644 . 0 0 "[ . 1 . 2]" 1
500 1 62 PHE H 1 71 ALA HA 1.800 . 5.000 4.488 4.018 4.893 . 0 0 "[ . 1 . 2]" 1
501 1 6 SER HA 1 46 GLU HA 1.800 . 5.000 1.946 1.751 2.546 0.049 8 0 "[ . 1 . 2]" 1
502 1 39 LEU HA 1 43 GLY QA 1.800 . 5.000 2.068 1.707 2.684 0.093 19 0 "[ . 1 . 2]" 1
503 1 48 GLN HA 1 91 ALA HA 1.800 . 5.000 4.384 3.671 5.029 0.029 3 0 "[ . 1 . 2]" 1
504 1 54 GLN HA 1 57 GLU HA 1.800 . 5.000 4.780 4.397 5.021 0.021 7 0 "[ . 1 . 2]" 1
505 1 70 ARG HA 1 73 LYS HA 1.800 . 5.000 4.772 4.377 5.016 0.016 20 0 "[ . 1 . 2]" 1
506 1 5 ASN QB 1 47 ILE H 1.800 . 5.000 3.400 2.958 3.907 . 0 0 "[ . 1 . 2]" 1
507 1 7 PHE QD 1 47 ILE H 1.800 . 5.000 4.656 4.070 5.018 0.018 20 0 "[ . 1 . 2]" 1
508 1 10 ILE MD 1 85 ALA H 1.800 . 5.000 4.347 4.065 4.805 . 0 0 "[ . 1 . 2]" 1
509 1 10 ILE MG 1 85 ALA H 1.800 . 5.000 3.496 2.931 3.758 . 0 0 "[ . 1 . 2]" 1
510 1 15 TYR QE 1 31 ALA H 1.800 . 5.000 3.712 3.450 4.109 . 0 0 "[ . 1 . 2]" 1
511 1 22 TRP QB 1 27 ALA H 1.800 . 5.000 3.389 3.248 3.529 . 0 0 "[ . 1 . 2]" 1
512 1 33 MET ME 1 74 ALA H 1.800 . 5.000 4.648 3.776 5.050 0.050 15 0 "[ . 1 . 2]" 1
513 1 38 ILE MG 1 43 GLY H 1.800 . 5.000 3.991 3.316 4.557 . 0 0 "[ . 1 . 2]" 1
514 1 41 ILE MD 1 58 VAL H 1.800 . 5.000 4.463 3.279 4.892 . 0 0 "[ . 1 . 2]" 1
515 1 41 ILE MG 1 58 VAL H 1.800 . 5.000 2.740 2.606 2.865 . 0 0 "[ . 1 . 2]" 1
516 1 41 ILE MG 1 59 ILE H 1.800 . 5.000 5.017 4.878 5.076 0.076 6 0 "[ . 1 . 2]" 1
517 1 42 ILE MG 1 58 VAL H 1.800 . 5.000 4.144 3.945 4.392 . 0 0 "[ . 1 . 2]" 1
518 1 45 LEU MD1 1 51 GLU H 1.800 . 5.000 3.147 2.228 3.660 . 0 0 "[ . 1 . 2]" 1
519 1 47 ILE MD 1 85 ALA H 1.800 . 5.000 3.525 3.336 3.732 . 0 0 "[ . 1 . 2]" 1
520 1 56 LEU MD1 1 103 MET H 1.800 . 5.000 4.716 2.377 5.052 0.052 18 0 "[ . 1 . 2]" 1
521 1 56 LEU HG 1 103 MET H 1.800 . 5.000 3.788 3.128 5.100 0.100 11 0 "[ . 1 . 2]" 1
522 1 59 ILE MD 1 74 ALA H 1.800 . 5.000 4.687 3.964 5.000 . 0 0 "[ . 1 . 2]" 1
523 1 59 ILE MD 1 75 ARG H 1.800 . 5.000 2.873 2.416 3.194 . 0 0 "[ . 1 . 2]" 1
524 1 59 ILE QG 1 75 ARG H 1.800 . 5.000 3.315 2.964 4.650 . 0 0 "[ . 1 . 2]" 1
525 1 59 ILE MG 1 75 ARG H 1.800 . 5.000 4.867 3.946 5.038 0.038 17 0 "[ . 1 . 2]" 1
526 1 62 PHE QB 1 71 ALA H 1.800 . 5.000 3.088 2.724 3.525 . 0 0 "[ . 1 . 2]" 1
527 1 62 PHE QD 1 71 ALA H 1.800 . 5.000 4.370 4.115 4.639 . 0 0 "[ . 1 . 2]" 1
528 1 85 ALA MB 1 90 ARG H 1.800 . 5.000 3.562 3.345 3.875 . 0 0 "[ . 1 . 2]" 1
529 1 85 ALA MB 1 91 ALA H 1.800 . 5.000 3.092 2.317 3.504 . 0 0 "[ . 1 . 2]" 1
530 1 86 ILE MD 1 93 TYR H 1.800 . 5.000 4.503 3.223 5.015 0.015 11 0 "[ . 1 . 2]" 1
531 1 86 ILE MD 1 94 ASN H 1.800 . 5.000 3.369 2.628 4.190 . 0 0 "[ . 1 . 2]" 1
532 1 86 ILE QG 1 91 ALA H 1.800 . 5.000 4.009 3.753 4.250 . 0 0 "[ . 1 . 2]" 1
533 1 86 ILE MG 1 91 ALA H 1.800 . 5.000 4.618 4.416 5.012 0.012 12 0 "[ . 1 . 2]" 1
534 1 5 ASN H 1 46 GLU QG 1.800 . 5.000 4.360 3.484 5.023 0.023 10 0 "[ . 1 . 2]" 1
535 1 5 ASN H 1 9 ALA MB 1.800 . 5.000 4.556 3.932 5.012 0.012 15 0 "[ . 1 . 2]" 1
536 1 6 SER H 1 9 ALA MB 1.800 . 5.000 3.118 2.789 3.306 . 0 0 "[ . 1 . 2]" 1
537 1 7 PHE H 1 50 ILE MD 1.800 . 5.000 4.068 3.409 4.579 . 0 0 "[ . 1 . 2]" 1
538 1 7 PHE H 1 9 ALA MB 1.800 . 5.000 4.970 4.828 5.030 0.030 14 0 "[ . 1 . 2]" 1
539 1 8 SER H 1 39 LEU MD2 1.800 . 5.000 4.343 3.593 5.023 0.023 18 0 "[ . 1 . 2]" 1
540 1 10 ILE H 1 47 ILE MD 1.800 . 5.000 4.837 4.333 5.034 0.034 8 0 "[ . 1 . 2]" 1
541 1 11 TYR H 1 81 VAL MG1 1.800 . 5.000 3.443 3.012 3.892 . 0 0 "[ . 1 . 2]" 1
542 1 11 TYR H 1 81 VAL MG2 1.800 . 5.000 4.765 4.334 5.022 0.022 14 0 "[ . 1 . 2]" 1
543 1 19 LYS H 1 27 ALA MB 1.800 . 5.000 4.647 4.185 5.026 0.026 2 0 "[ . 1 . 2]" 1
544 1 22 TRP H 1 27 ALA MB 1.800 . 5.000 4.141 3.887 4.326 . 0 0 "[ . 1 . 2]" 1
545 1 23 SER H 1 26 TYR QB 1.800 . 5.000 2.985 2.508 3.391 . 0 0 "[ . 1 . 2]" 1
546 1 27 ALA H 1 30 LEU QB 1.800 . 5.000 4.680 4.387 4.916 . 0 0 "[ . 1 . 2]" 1
547 1 28 THR H 1 31 ALA MB 1.800 . 5.000 4.658 4.374 5.014 0.014 1 0 "[ . 1 . 2]" 1
548 1 37 ASP H 1 39 LEU QB 1.800 . 5.000 4.870 4.348 5.026 0.026 15 0 "[ . 1 . 2]" 1
549 1 38 ILE H 1 40 PRO QD 1.800 . 5.000 3.351 2.931 3.631 . 0 0 "[ . 1 . 2]" 1
550 1 38 ILE H 1 41 ILE QG 1.800 . 5.000 4.785 4.565 5.007 0.007 6 0 "[ . 1 . 2]" 1
551 1 38 ILE H 1 58 VAL MG2 1.800 . 5.000 5.006 4.696 5.063 0.063 16 0 "[ . 1 . 2]" 1
552 1 42 ILE H 1 45 LEU MD1 1.800 . 5.000 4.361 4.224 4.488 . 0 0 "[ . 1 . 2]" 1
553 1 42 ILE H 1 58 VAL MG2 1.800 . 5.000 3.434 3.205 3.700 . 0 0 "[ . 1 . 2]" 1
554 1 45 LEU H 1 50 ILE MD 1.800 . 5.000 4.534 4.129 4.814 . 0 0 "[ . 1 . 2]" 1
555 1 46 GLU H 1 49 ASP QB 1.800 . 5.000 3.399 2.619 4.324 . 0 0 "[ . 1 . 2]" 1
556 1 46 GLU H 1 50 ILE MD 1.800 . 5.000 4.942 4.658 5.049 0.049 2 0 "[ . 1 . 2]" 1
557 1 48 GLN H 1 91 ALA MB 1.800 . 5.000 4.732 4.017 5.029 0.029 12 0 "[ . 1 . 2]" 1
558 1 51 GLU H 1 54 GLN QB 1.800 . 5.000 2.942 2.544 3.292 . 0 0 "[ . 1 . 2]" 1
559 1 51 GLU H 1 54 GLN QG 1.800 . 5.000 4.128 3.145 4.934 . 0 0 "[ . 1 . 2]" 1
560 1 55 LEU H 1 99 LEU MD2 1.800 . 5.000 4.160 3.757 4.719 . 0 0 "[ . 1 . 2]" 1
561 1 56 LEU H 1 99 LEU MD2 1.800 . 5.000 2.759 2.520 3.097 . 0 0 "[ . 1 . 2]" 1
562 1 57 GLU H 1 99 LEU MD2 1.800 . 5.000 4.480 4.344 4.708 . 0 0 "[ . 1 . 2]" 1
563 1 58 VAL H 1 61 ARG QB 1.800 . 5.000 4.543 4.351 4.692 . 0 0 "[ . 1 . 2]" 1
564 1 59 ILE H 1 74 ALA MB 1.800 . 5.000 4.471 4.107 4.761 . 0 0 "[ . 1 . 2]" 1
565 1 62 PHE H 1 71 ALA MB 1.800 . 5.000 4.057 3.886 4.247 . 0 0 "[ . 1 . 2]" 1
566 1 63 GLU H 1 68 MET ME 1.800 . 5.000 4.377 3.410 4.941 . 0 0 "[ . 1 . 2]" 1
567 1 63 GLU H 1 71 ALA MB 1.800 . 5.000 3.333 2.696 3.784 . 0 0 "[ . 1 . 2]" 1
568 1 65 ARG H 1 67 ALA MB 1.800 . 5.000 4.475 3.846 5.011 0.011 15 0 "[ . 1 . 2]" 1
569 1 66 GLY H 1 68 MET ME 1.800 . 5.000 4.698 3.819 5.070 0.070 19 0 "[ . 1 . 2]" 1
570 1 68 MET H 1 71 ALA MB 1.800 . 5.000 4.554 4.270 4.690 . 0 0 "[ . 1 . 2]" 1
571 1 71 ALA H 1 74 ALA MB 1.800 . 5.000 4.749 4.503 5.035 0.035 3 0 "[ . 1 . 2]" 1
572 1 79 GLY H 1 82 PHE QB 1.800 . 5.000 4.865 4.647 5.027 0.027 7 0 "[ . 1 . 2]" 1
573 1 79 GLY H 1 96 ALA MB 1.800 . 5.000 4.997 4.671 5.031 0.031 3 0 "[ . 1 . 2]" 1
574 1 83 ARG H 1 86 ILE MD 1.800 . 5.000 4.185 3.928 4.440 . 0 0 "[ . 1 . 2]" 1
575 1 84 TYR H 1 87 VAL MG2 1.800 . 5.000 4.396 4.209 4.543 . 0 0 "[ . 1 . 2]" 1
576 1 85 ALA H 1 88 THR MG 1.800 . 5.000 4.606 3.884 5.091 0.091 13 0 "[ . 1 . 2]" 1
577 1 86 ILE H 1 91 ALA MB 1.800 . 5.000 3.099 2.678 3.867 . 0 0 "[ . 1 . 2]" 1
578 1 94 ASN H 1 96 ALA MB 1.800 . 5.000 4.968 4.660 5.044 0.044 14 0 "[ . 1 . 2]" 1
579 1 5 ASN HA 1 10 ILE MD 1.800 . 5.000 2.637 2.106 3.374 . 0 0 "[ . 1 . 2]" 1
580 1 5 ASN HA 1 47 ILE MG 1.800 . 5.000 3.625 3.167 4.289 . 0 0 "[ . 1 . 2]" 1
581 1 5 ASN HA 1 9 ALA MB 1.800 . 5.000 4.143 3.717 5.001 0.001 2 0 "[ . 1 . 2]" 1
582 1 5 ASN QB 1 46 GLU HA 1.800 . 5.000 3.913 3.308 4.856 . 0 0 "[ . 1 . 2]" 1
583 1 6 SER HA 1 46 GLU QG 1.800 . 5.000 3.135 2.113 4.094 . 0 0 "[ . 1 . 2]" 1
584 1 6 SER HA 1 47 ILE MG 1.800 . 5.000 4.724 4.376 5.016 0.016 12 0 "[ . 1 . 2]" 1
585 1 7 PHE HA 1 47 ILE HB 1.800 . 5.000 2.784 2.451 3.189 . 0 0 "[ . 1 . 2]" 1
586 1 7 PHE HA 1 47 ILE MD 1.800 . 5.000 3.226 2.733 3.566 . 0 0 "[ . 1 . 2]" 1
587 1 7 PHE HA 1 47 ILE QG 1.800 . 5.000 3.850 3.374 4.258 . 0 0 "[ . 1 . 2]" 1
588 1 7 PHE HA 1 47 ILE MG 1.800 . 5.000 4.267 4.021 4.612 . 0 0 "[ . 1 . 2]" 1
589 1 7 PHE HA 1 50 ILE MD 1.800 . 5.000 4.136 3.740 4.508 . 0 0 "[ . 1 . 2]" 1
590 1 7 PHE QB 1 47 ILE HA 1.800 . 5.000 3.391 3.039 3.693 . 0 0 "[ . 1 . 2]" 1
591 1 7 PHE QD 1 43 GLY QA 1.800 . 5.000 3.023 2.212 4.119 . 0 0 "[ . 1 . 2]" 1
592 1 7 PHE QE 1 11 TYR HA 1.800 . 5.000 4.920 4.663 5.017 0.017 9 0 "[ . 1 . 2]" 1
593 1 7 PHE QE 1 78 CYS HA 1.800 . 5.000 3.533 2.973 4.109 . 0 0 "[ . 1 . 2]" 1
594 1 7 PHE HZ 1 78 CYS HA 1.800 . 5.000 2.451 1.884 3.076 . 0 0 "[ . 1 . 2]" 1
595 1 8 SER HA 1 39 LEU MD1 1.800 . 5.000 4.048 2.422 5.003 0.003 8 0 "[ . 1 . 2]" 1
596 1 8 SER HA 1 39 LEU MD2 1.800 . 5.000 3.078 2.386 3.760 . 0 0 "[ . 1 . 2]" 1
597 1 8 SER QB 1 43 GLY QA 1.800 . 5.000 3.293 2.408 4.301 . 0 0 "[ . 1 . 2]" 1
598 1 10 ILE MD 1 47 ILE HA 1.800 . 5.000 4.634 4.366 4.840 . 0 0 "[ . 1 . 2]" 1
599 1 10 ILE MD 1 85 ALA HA 1.800 . 5.000 3.265 2.753 3.601 . 0 0 "[ . 1 . 2]" 1
600 1 10 ILE MG 1 81 VAL HA 1.800 . 5.000 3.695 3.172 4.161 . 0 0 "[ . 1 . 2]" 1
601 1 10 ILE MG 1 85 ALA HA 1.800 . 5.000 3.256 2.633 3.753 . 0 0 "[ . 1 . 2]" 1
602 1 11 TYR HA 1 81 VAL MG1 1.800 . 5.000 2.806 2.463 3.178 . 0 0 "[ . 1 . 2]" 1
603 1 11 TYR HA 1 81 VAL MG2 1.800 . 5.000 3.000 2.549 3.436 . 0 0 "[ . 1 . 2]" 1
604 1 14 TRP HA 1 84 TYR QD 1.800 . 5.000 4.204 3.548 4.653 . 0 0 "[ . 1 . 2]" 1
605 1 14 TRP HZ3 1 31 ALA HA 1.800 . 5.000 4.690 4.154 5.025 0.025 7 0 "[ . 1 . 2]" 1
606 1 15 TYR HA 1 19 LYS QB 1.800 . 5.000 4.313 3.926 4.625 . 0 0 "[ . 1 . 2]" 1
607 1 15 TYR HA 1 22 TRP HH2 1.800 . 5.000 4.709 4.098 5.021 0.021 6 0 "[ . 1 . 2]" 1
608 1 15 TYR HA 1 22 TRP HZ3 1.800 . 5.000 3.730 2.992 3.998 . 0 0 "[ . 1 . 2]" 1
609 1 15 TYR HA 1 30 LEU MD2 1.800 . 5.000 4.554 4.283 4.827 . 0 0 "[ . 1 . 2]" 1
610 1 15 TYR HA 1 31 ALA MB 1.800 . 5.000 4.997 4.791 5.070 0.070 20 0 "[ . 1 . 2]" 1
611 1 15 TYR QD 1 31 ALA HA 1.800 . 5.000 4.345 3.882 4.604 . 0 0 "[ . 1 . 2]" 1
612 1 15 TYR QE 1 19 LYS HA 1.800 . 5.000 4.349 3.971 4.991 . 0 0 "[ . 1 . 2]" 1
613 1 15 TYR QE 1 27 ALA HA 1.800 . 5.000 3.222 2.832 3.864 . 0 0 "[ . 1 . 2]" 1
614 1 19 LYS HA 1 27 ALA MB 1.800 . 5.000 2.644 2.390 2.853 . 0 0 "[ . 1 . 2]" 1
615 1 22 TRP HA 1 26 TYR QB 1.800 . 5.000 4.676 4.376 4.999 . 0 0 "[ . 1 . 2]" 1
616 1 22 TRP HA 1 26 TYR QD 1.800 . 5.000 4.356 3.550 4.764 . 0 0 "[ . 1 . 2]" 1
617 1 22 TRP HA 1 27 ALA MB 1.800 . 5.000 4.822 4.436 5.017 0.017 14 0 "[ . 1 . 2]" 1
618 1 22 TRP HZ3 1 27 ALA HA 1.800 . 5.000 3.867 3.468 4.397 . 0 0 "[ . 1 . 2]" 1
619 1 27 ALA HA 1 31 ALA MB 1.800 . 5.000 4.434 4.142 4.689 . 0 0 "[ . 1 . 2]" 1
620 1 33 MET HA 1 62 PHE QE 1.800 . 5.000 4.571 4.126 5.031 0.031 1 0 "[ . 1 . 2]" 1
621 1 33 MET ME 1 70 ARG HA 1.800 . 5.000 4.039 3.670 4.530 . 0 0 "[ . 1 . 2]" 1
622 1 33 MET ME 1 74 ALA HA 1.800 . 5.000 4.276 3.235 5.023 0.023 4 0 "[ . 1 . 2]" 1
623 1 34 PHE HA 1 38 ILE HB 1.800 . 5.000 3.080 1.923 4.196 . 0 0 "[ . 1 . 2]" 1
624 1 34 PHE HA 1 38 ILE MD 1.800 . 5.000 2.171 1.751 4.044 0.049 15 0 "[ . 1 . 2]" 1
625 1 34 PHE HA 1 38 ILE QG 1.800 . 5.000 2.671 2.036 3.977 . 0 0 "[ . 1 . 2]" 1
626 1 34 PHE HA 1 38 ILE MG 1.800 . 5.000 4.235 3.460 5.052 0.052 19 0 "[ . 1 . 2]" 1
627 1 34 PHE HA 1 58 VAL MG1 1.800 . 5.000 4.977 4.754 5.059 0.059 1 0 "[ . 1 . 2]" 1
628 1 34 PHE HA 1 74 ALA MB 1.800 . 5.000 4.999 4.517 5.063 0.063 14 0 "[ . 1 . 2]" 1
629 1 34 PHE HZ 1 78 CYS HA 1.800 . 5.000 3.468 2.600 5.035 0.035 16 0 "[ . 1 . 2]" 1
630 1 35 ASP HA 1 39 LEU QB 1.800 . 5.000 2.611 1.778 3.708 0.022 8 0 "[ . 1 . 2]" 1
631 1 35 ASP HA 1 39 LEU MD1 1.800 . 5.000 3.507 1.945 4.548 . 0 0 "[ . 1 . 2]" 1
632 1 35 ASP HA 1 40 PRO QD 1.800 . 5.000 4.210 3.900 4.848 . 0 0 "[ . 1 . 2]" 1
633 1 36 ASP HA 1 40 PRO QG 1.800 . 5.000 3.926 3.222 4.563 . 0 0 "[ . 1 . 2]" 1
634 1 37 ASP HA 1 61 ARG HE 1.800 . 5.000 3.696 2.462 5.060 0.060 4 0 "[ . 1 . 2]" 1
635 1 38 ILE HA 1 42 ILE MG 1.800 . 5.000 4.932 4.630 5.014 0.014 9 0 "[ . 1 . 2]" 1
636 1 38 ILE HA 1 58 VAL MG1 1.800 . 5.000 2.774 2.305 3.236 . 0 0 "[ . 1 . 2]" 1
637 1 38 ILE HA 1 58 VAL MG2 1.800 . 5.000 2.532 2.398 2.704 . 0 0 "[ . 1 . 2]" 1
638 1 38 ILE MD 1 74 ALA HA 1.800 . 5.000 3.320 2.579 4.149 . 0 0 "[ . 1 . 2]" 1
639 1 38 ILE MG 1 43 GLY QA 1.800 . 5.000 3.689 2.570 4.392 . 0 0 "[ . 1 . 2]" 1
640 1 39 LEU MD1 1 43 GLY QA 1.800 . 5.000 2.535 1.779 3.963 0.021 14 0 "[ . 1 . 2]" 1
641 1 39 LEU MD2 1 43 GLY QA 1.800 . 5.000 2.218 1.788 2.947 0.012 17 0 "[ . 1 . 2]" 1
642 1 41 ILE HA 1 45 LEU MD1 1.800 . 5.000 5.015 4.932 5.061 0.061 2 0 "[ . 1 . 2]" 1
643 1 41 ILE HB 1 58 VAL HA 1.800 . 5.000 3.949 3.780 4.291 . 0 0 "[ . 1 . 2]" 1
644 1 41 ILE MD 1 57 GLU HA 1.800 . 5.000 4.837 4.239 5.045 0.045 13 0 "[ . 1 . 2]" 1
645 1 41 ILE MD 1 58 VAL HA 1.800 . 5.000 3.602 1.879 4.120 . 0 0 "[ . 1 . 2]" 1
646 1 41 ILE MD 1 61 ARG HA 1.800 . 5.000 4.833 4.215 5.073 0.073 12 0 "[ . 1 . 2]" 1
647 1 41 ILE QG 1 58 VAL HA 1.800 . 5.000 2.821 2.455 4.042 . 0 0 "[ . 1 . 2]" 1
648 1 42 ILE HA 1 58 VAL MG2 1.800 . 5.000 4.839 4.654 5.025 0.025 1 0 "[ . 1 . 2]" 1
649 1 42 ILE MD 1 55 LEU HA 1.800 . 5.000 3.358 3.071 3.677 . 0 0 "[ . 1 . 2]" 1
650 1 42 ILE MG 1 55 LEU HA 1.800 . 5.000 2.761 2.392 3.235 . 0 0 "[ . 1 . 2]" 1
651 1 45 LEU MD1 1 50 ILE HA 1.800 . 5.000 2.777 2.336 3.033 . 0 0 "[ . 1 . 2]" 1
652 1 45 LEU MD2 1 50 ILE HA 1.800 . 5.000 4.015 3.073 4.522 . 0 0 "[ . 1 . 2]" 1
653 1 46 GLU HA 1 50 ILE MD 1.800 . 5.000 4.772 4.401 5.018 0.018 11 0 "[ . 1 . 2]" 1
654 1 46 GLU QB 1 49 ASP HA 1.800 . 5.000 4.606 4.117 5.030 0.030 14 0 "[ . 1 . 2]" 1
655 1 47 ILE MD 1 82 PHE HA 1.800 . 5.000 1.980 1.787 2.496 0.013 16 0 "[ . 1 . 2]" 1
656 1 47 ILE MD 1 85 ALA HA 1.800 . 5.000 4.085 3.942 4.318 . 0 0 "[ . 1 . 2]" 1
657 1 47 ILE MG 1 91 ALA HA 1.800 . 5.000 3.687 2.878 4.361 . 0 0 "[ . 1 . 2]" 1
658 1 48 GLN HA 1 91 ALA MB 1.800 . 5.000 3.717 3.173 4.224 . 0 0 "[ . 1 . 2]" 1
659 1 48 GLN QB 1 91 ALA HA 1.800 . 5.000 4.034 2.514 4.873 . 0 0 "[ . 1 . 2]" 1
660 1 48 GLN QE 1 91 ALA HA 1.800 . 5.000 3.064 1.796 4.929 0.004 2 0 "[ . 1 . 2]" 1
661 1 48 GLN QG 1 91 ALA HA 1.800 . 5.000 2.782 2.163 4.050 . 0 0 "[ . 1 . 2]" 1
662 1 52 PRO HA 1 95 PRO QB 1.800 . 5.000 3.158 2.231 3.932 . 0 0 "[ . 1 . 2]" 1
663 1 52 PRO HA 1 95 PRO QG 1.800 . 5.000 4.258 3.202 5.031 0.031 5 0 "[ . 1 . 2]" 1
664 1 52 PRO QB 1 99 LEU HA 1.800 . 5.000 3.480 2.982 4.070 . 0 0 "[ . 1 . 2]" 1
665 1 53 MET HA 1 102 ALA MB 1.800 . 5.000 3.158 2.392 4.617 . 0 0 "[ . 1 . 2]" 1
666 1 55 LEU MD2 1 96 ALA HA 1.800 . 5.000 3.214 2.798 3.722 . 0 0 "[ . 1 . 2]" 1
667 1 56 LEU HA 1 99 LEU MD2 1.800 . 5.000 2.092 1.911 2.293 . 0 0 "[ . 1 . 2]" 1
668 1 56 LEU QB 1 103 MET HA 1.800 . 5.000 4.445 3.683 5.010 0.010 11 0 "[ . 1 . 2]" 1
669 1 56 LEU MD1 1 103 MET HA 1.800 . 5.000 3.289 1.948 4.038 . 0 0 "[ . 1 . 2]" 1
670 1 56 LEU MD2 1 103 MET HA 1.800 . 5.000 2.538 2.078 3.205 . 0 0 "[ . 1 . 2]" 1
671 1 58 VAL HA 1 62 PHE QD 1.800 . 5.000 4.458 4.211 4.666 . 0 0 "[ . 1 . 2]" 1
672 1 59 ILE HA 1 71 ALA MB 1.800 . 5.000 3.154 2.766 3.656 . 0 0 "[ . 1 . 2]" 1
673 1 59 ILE MD 1 71 ALA HA 1.800 . 5.000 4.270 3.547 4.905 . 0 0 "[ . 1 . 2]" 1
674 1 59 ILE MD 1 72 ASN HA 1.800 . 5.000 4.693 3.318 5.030 0.030 12 0 "[ . 1 . 2]" 1
675 1 59 ILE MD 1 75 ARG HA 1.800 . 5.000 2.307 1.956 2.690 . 0 0 "[ . 1 . 2]" 1
676 1 59 ILE MG 1 71 ALA HA 1.800 . 5.000 3.722 3.141 4.188 . 0 0 "[ . 1 . 2]" 1
677 1 62 PHE HA 1 67 ALA MB 1.800 . 5.000 3.253 2.625 3.844 . 0 0 "[ . 1 . 2]" 1
678 1 62 PHE HA 1 71 ALA MB 1.800 . 5.000 4.449 4.110 4.852 . 0 0 "[ . 1 . 2]" 1
679 1 62 PHE QB 1 71 ALA HA 1.800 . 5.000 2.357 1.987 2.693 . 0 0 "[ . 1 . 2]" 1
680 1 62 PHE QD 1 71 ALA HA 1.800 . 5.000 2.992 2.585 3.460 . 0 0 "[ . 1 . 2]" 1
681 1 63 GLU HA 1 67 ALA MB 1.800 . 5.000 4.585 4.046 5.042 0.042 17 0 "[ . 1 . 2]" 1
682 1 63 GLU HA 1 68 MET ME 1.800 . 5.000 2.633 1.792 3.320 0.008 12 0 "[ . 1 . 2]" 1
683 1 66 GLY QA 1 68 MET ME 1.800 . 5.000 3.924 2.753 4.706 . 0 0 "[ . 1 . 2]" 1
684 1 67 ALA MB 1 71 ALA HA 1.800 . 5.000 4.786 4.437 5.021 0.021 4 0 "[ . 1 . 2]" 1
685 1 72 ASN HA 1 103 MET ME 1.800 . 5.000 4.468 3.845 5.043 0.043 4 0 "[ . 1 . 2]" 1
686 1 79 GLY QA 1 94 ASN QD 1.800 . 5.000 3.642 2.715 5.061 0.061 4 0 "[ . 1 . 2]" 1
687 1 79 GLY QA 1 96 ALA MB 1.800 . 5.000 3.256 3.066 3.413 . 0 0 "[ . 1 . 2]" 1
688 1 82 PHE HA 1 86 ILE MD 1.800 . 5.000 4.752 4.425 4.933 . 0 0 "[ . 1 . 2]" 1
689 1 82 PHE QB 1 94 ASN HA 1.800 . 5.000 3.552 2.552 4.328 . 0 0 "[ . 1 . 2]" 1
690 1 82 PHE QD 1 94 ASN HA 1.800 . 5.000 3.589 2.045 4.293 . 0 0 "[ . 1 . 2]" 1
691 1 85 ALA HA 1 91 ALA MB 1.800 . 5.000 4.094 3.926 4.574 . 0 0 "[ . 1 . 2]" 1
692 1 86 ILE HA 1 91 ALA MB 1.800 . 5.000 2.939 2.485 3.444 . 0 0 "[ . 1 . 2]" 1
693 1 86 ILE MD 1 92 LYS HA 1.800 . 5.000 4.418 3.478 5.008 0.008 8 0 "[ . 1 . 2]" 1
694 1 86 ILE MD 1 94 ASN HA 1.800 . 5.000 4.323 3.359 5.007 0.007 11 0 "[ . 1 . 2]" 1
695 1 86 ILE QG 1 92 LYS HA 1.800 . 5.000 3.526 2.291 4.197 . 0 0 "[ . 1 . 2]" 1
696 1 86 ILE MG 1 92 LYS HA 1.800 . 5.000 3.307 2.294 4.084 . 0 0 "[ . 1 . 2]" 1
697 1 91 ALA MB 1 94 ASN HA 1.800 . 5.000 4.385 3.855 4.868 . 0 0 "[ . 1 . 2]" 1
698 1 93 TYR QE 1 95 PRO HA 1.800 . 5.000 3.067 2.187 4.168 . 0 0 "[ . 1 . 2]" 1
699 1 98 ASP HA 1 100 ALA MB 1.800 . 5.000 4.737 4.390 5.016 0.016 2 0 "[ . 1 . 2]" 1
700 1 98 ASP HA 1 102 ALA MB 1.800 . 5.000 4.576 4.212 5.021 0.021 10 0 "[ . 1 . 2]" 1
701 1 4 ASN QB 1 9 ALA MB 1.800 . 5.000 3.461 1.931 5.025 0.025 10 0 "[ . 1 . 2]" 1
702 1 5 ASN QB 1 10 ILE MD 1.800 . 5.000 3.557 2.544 4.412 . 0 0 "[ . 1 . 2]" 1
703 1 5 ASN QB 1 46 GLU QG 1.800 . 5.000 3.380 2.305 4.587 . 0 0 "[ . 1 . 2]" 1
704 1 5 ASN QB 1 47 ILE MG 1.800 . 5.000 2.748 1.924 3.612 . 0 0 "[ . 1 . 2]" 1
705 1 5 ASN QB 1 90 ARG QB 1.800 . 5.000 3.900 3.245 4.818 . 0 0 "[ . 1 . 2]" 1
706 1 5 ASN QB 1 47 ILE HB 1.800 . 5.000 4.611 3.899 5.054 0.054 12 0 "[ . 1 . 2]" 1
707 1 5 ASN QD 1 47 ILE MG 1.800 . 5.000 3.980 2.231 4.756 . 0 0 "[ . 1 . 2]" 1
708 1 5 ASN QD 1 10 ILE MD 1.800 . 5.000 4.126 2.753 5.016 0.016 8 0 "[ . 1 . 2]" 1
709 1 5 ASN QD 1 90 ARG QD 1.800 . 5.000 3.773 2.103 5.015 0.015 8 0 "[ . 1 . 2]" 1
710 1 7 PHE QB 1 50 ILE MD 1.800 . 5.000 2.301 1.800 2.690 0.000 20 0 "[ . 1 . 2]" 1
711 1 7 PHE QB 1 47 ILE MD 1.800 . 5.000 4.347 3.985 4.544 . 0 0 "[ . 1 . 2]" 1
712 1 7 PHE QD 1 39 LEU MD2 1.800 . 5.000 3.496 2.458 4.164 . 0 0 "[ . 1 . 2]" 1
713 1 7 PHE QD 1 42 ILE MD 1.800 . 5.000 3.009 2.836 3.196 . 0 0 "[ . 1 . 2]" 1
714 1 7 PHE QD 1 47 ILE HB 1.800 . 5.000 3.284 2.901 3.744 . 0 0 "[ . 1 . 2]" 1
715 1 7 PHE QD 1 47 ILE MD 1.800 . 5.000 3.131 2.790 3.471 . 0 0 "[ . 1 . 2]" 1
716 1 7 PHE QD 1 47 ILE QG 1.800 . 5.000 2.206 1.849 2.732 . 0 0 "[ . 1 . 2]" 1
717 1 7 PHE QD 1 47 ILE MG 1.800 . 5.000 4.510 4.206 4.943 . 0 0 "[ . 1 . 2]" 1
718 1 7 PHE QD 1 50 ILE MD 1.800 . 5.000 2.239 2.002 2.504 . 0 0 "[ . 1 . 2]" 1
719 1 7 PHE QD 1 50 ILE MG 1.800 . 5.000 4.742 4.527 4.934 . 0 0 "[ . 1 . 2]" 1
720 1 7 PHE QD 1 82 PHE QE 1.800 . 5.000 3.519 2.684 4.165 . 0 0 "[ . 1 . 2]" 1
721 1 7 PHE QE 1 11 TYR QB 1.800 . 5.000 3.079 2.826 3.380 . 0 0 "[ . 1 . 2]" 1
722 1 7 PHE QE 1 34 PHE QE 1.800 . 5.000 2.497 1.788 4.067 0.012 5 0 "[ . 1 . 2]" 1
723 1 7 PHE QE 1 38 ILE MG 1.800 . 5.000 2.988 2.130 3.870 . 0 0 "[ . 1 . 2]" 1
724 1 7 PHE QE 1 42 ILE MD 1.800 . 5.000 3.048 2.906 3.281 . 0 0 "[ . 1 . 2]" 1
725 1 7 PHE QE 1 55 LEU MD1 1.800 . 5.000 4.074 3.797 4.243 . 0 0 "[ . 1 . 2]" 1
726 1 7 PHE QE 1 55 LEU MD2 1.800 . 5.000 5.001 4.884 5.036 0.036 18 0 "[ . 1 . 2]" 1
727 1 7 PHE QE 1 81 VAL HB 1.800 . 5.000 3.100 2.745 3.493 . 0 0 "[ . 1 . 2]" 1
728 1 7 PHE QE 1 81 VAL MG1 1.800 . 5.000 3.014 2.694 3.249 . 0 0 "[ . 1 . 2]" 1
729 1 7 PHE QE 1 81 VAL MG2 1.800 . 5.000 3.258 2.574 3.644 . 0 0 "[ . 1 . 2]" 1
730 1 7 PHE QE 1 82 PHE QE 1.800 . 5.000 3.035 1.911 3.793 . 0 0 "[ . 1 . 2]" 1
731 1 7 PHE HZ 1 38 ILE MG 1.800 . 5.000 4.075 3.287 5.007 0.007 7 0 "[ . 1 . 2]" 1
732 1 7 PHE HZ 1 42 ILE MD 1.800 . 5.000 3.409 3.069 3.735 . 0 0 "[ . 1 . 2]" 1
733 1 7 PHE HZ 1 78 CYS QB 1.800 . 5.000 2.978 2.501 3.597 . 0 0 "[ . 1 . 2]" 1
734 1 7 PHE HZ 1 81 VAL HB 1.800 . 5.000 3.003 2.391 3.780 . 0 0 "[ . 1 . 2]" 1
735 1 7 PHE HZ 1 81 VAL MG1 1.800 . 5.000 3.307 3.024 3.714 . 0 0 "[ . 1 . 2]" 1
736 1 7 PHE HZ 1 81 VAL MG2 1.800 . 5.000 2.966 2.734 3.348 . 0 0 "[ . 1 . 2]" 1
737 1 8 SER QB 1 39 LEU MD1 1.800 . 5.000 2.996 2.007 3.855 . 0 0 "[ . 1 . 2]" 1
738 1 8 SER QB 1 39 LEU MD2 1.800 . 5.000 2.985 2.087 4.096 . 0 0 "[ . 1 . 2]" 1
739 1 10 ILE HB 1 47 ILE MD 1.800 . 5.000 2.896 2.497 3.106 . 0 0 "[ . 1 . 2]" 1
740 1 10 ILE HB 1 81 VAL MG1 1.800 . 5.000 2.913 2.604 3.317 . 0 0 "[ . 1 . 2]" 1
741 1 10 ILE MD 1 47 ILE HB 1.800 . 5.000 2.398 2.130 2.654 . 0 0 "[ . 1 . 2]" 1
742 1 10 ILE MD 1 47 ILE MD 1.800 . 5.000 2.184 1.928 2.375 . 0 0 "[ . 1 . 2]" 1
743 1 10 ILE MD 1 47 ILE QG 1.800 . 5.000 3.575 3.372 3.689 . 0 0 "[ . 1 . 2]" 1
744 1 10 ILE MD 1 47 ILE MG 1.800 . 5.000 1.985 1.792 2.216 0.008 11 0 "[ . 1 . 2]" 1
745 1 10 ILE MD 1 81 VAL MG1 1.800 . 5.000 3.616 3.298 4.057 . 0 0 "[ . 1 . 2]" 1
746 1 10 ILE MD 1 84 TYR QD 1.800 . 5.000 4.406 3.758 4.916 . 0 0 "[ . 1 . 2]" 1
747 1 10 ILE MD 1 85 ALA MB 1.800 . 5.000 2.100 1.791 2.359 0.009 9 0 "[ . 1 . 2]" 1
748 1 10 ILE MD 1 90 ARG QB 1.800 . 5.000 2.645 2.022 4.014 . 0 0 "[ . 1 . 2]" 1
749 1 10 ILE MD 1 90 ARG HD3 1.800 . 5.000 2.960 2.083 4.382 . 0 0 "[ . 1 . 2]" 1
750 1 10 ILE MD 1 90 ARG HD2 1.800 . 5.000 2.876 2.083 4.634 . 0 0 "[ . 1 . 2]" 1
751 1 10 ILE MD 1 91 ALA MB 1.800 . 5.000 3.865 3.408 4.264 . 0 0 "[ . 1 . 2]" 1
752 1 10 ILE QG 1 13 GLU QB 1.800 . 5.000 4.282 3.897 4.735 . 0 0 "[ . 1 . 2]" 1
753 1 10 ILE QG 1 47 ILE MD 1.800 . 5.000 3.802 3.546 3.949 . 0 0 "[ . 1 . 2]" 1
754 1 10 ILE QG 1 84 TYR QD 1.800 . 5.000 4.741 4.106 5.017 0.017 13 0 "[ . 1 . 2]" 1
755 1 10 ILE MG 1 13 GLU QB 1.800 . 5.000 3.339 3.041 3.642 . 0 0 "[ . 1 . 2]" 1
756 1 10 ILE MG 1 47 ILE MD 1.800 . 5.000 2.641 2.387 2.794 . 0 0 "[ . 1 . 2]" 1
757 1 10 ILE MG 1 47 ILE QG 1.800 . 5.000 4.575 4.305 4.726 . 0 0 "[ . 1 . 2]" 1
758 1 10 ILE MG 1 81 VAL MG1 1.800 . 5.000 2.192 1.943 2.513 . 0 0 "[ . 1 . 2]" 1
759 1 10 ILE MG 1 81 VAL MG2 1.800 . 5.000 3.974 3.588 4.322 . 0 0 "[ . 1 . 2]" 1
760 1 10 ILE MG 1 84 TYR QB 1.800 . 5.000 3.118 2.557 3.649 . 0 0 "[ . 1 . 2]" 1
761 1 10 ILE MG 1 84 TYR QD 1.800 . 5.000 2.403 1.896 2.881 . 0 0 "[ . 1 . 2]" 1
762 1 10 ILE MG 1 84 TYR QE 1.800 . 5.000 3.367 2.673 4.063 . 0 0 "[ . 1 . 2]" 1
763 1 10 ILE MG 1 85 ALA MB 1.800 . 5.000 2.258 1.799 2.739 0.001 9 0 "[ . 1 . 2]" 1
764 1 11 TYR QB 1 39 LEU MD2 1.800 . 5.000 3.805 3.024 4.507 . 0 0 "[ . 1 . 2]" 1
765 1 11 TYR QB 1 81 VAL MG1 1.800 . 5.000 3.039 2.550 3.637 . 0 0 "[ . 1 . 2]" 1
766 1 11 TYR QB 1 81 VAL MG2 1.800 . 5.000 3.294 2.728 3.710 . 0 0 "[ . 1 . 2]" 1
767 1 12 LYS QE 1 15 TYR QD 1.800 . 5.000 4.062 2.802 4.644 . 0 0 "[ . 1 . 2]" 1
768 1 12 LYS QE 1 15 TYR QE 1.800 . 5.000 4.641 3.427 5.047 0.047 11 0 "[ . 1 . 2]" 1
769 1 12 LYS QE 1 16 GLU QB 1.800 . 5.000 4.099 2.942 5.050 0.050 17 0 "[ . 1 . 2]" 1
770 1 12 LYS QE 1 16 GLU QG 1.800 . 5.000 4.291 2.191 5.041 0.041 7 0 "[ . 1 . 2]" 1
771 1 12 LYS QG 1 15 TYR QB 1.800 . 5.000 3.921 3.315 4.873 . 0 0 "[ . 1 . 2]" 1
772 1 12 LYS QG 1 15 TYR QD 1.800 . 5.000 3.568 2.346 5.003 0.003 10 0 "[ . 1 . 2]" 1
773 1 13 GLU QB 1 84 TYR QE 1.800 . 5.000 3.155 2.312 3.921 . 0 0 "[ . 1 . 2]" 1
774 1 13 GLU QB 1 84 TYR QD 1.800 . 5.000 4.304 3.571 4.773 . 0 0 "[ . 1 . 2]" 1
775 1 13 GLU QG 1 84 TYR QE 1.800 . 5.000 3.220 1.996 4.984 . 0 0 "[ . 1 . 2]" 1
776 1 13 GLU QG 1 16 GLU QB 1.800 . 5.000 4.431 3.822 5.035 0.035 12 0 "[ . 1 . 2]" 1
777 1 14 TRP QB 1 81 VAL MG1 1.800 . 5.000 3.103 2.890 3.416 . 0 0 "[ . 1 . 2]" 1
778 1 14 TRP QB 1 81 VAL MG2 1.800 . 5.000 2.925 2.582 3.290 . 0 0 "[ . 1 . 2]" 1
779 1 14 TRP QB 1 84 TYR QD 1.800 . 5.000 3.460 2.648 4.311 . 0 0 "[ . 1 . 2]" 1
780 1 14 TRP HD1 1 17 HIS QB 1.800 . 5.000 4.641 4.274 5.018 0.018 10 0 "[ . 1 . 2]" 1
781 1 14 TRP HD1 1 84 TYR QB 1.800 . 5.000 3.013 2.466 3.532 . 0 0 "[ . 1 . 2]" 1
782 1 14 TRP HD1 1 84 TYR QD 1.800 . 5.000 3.194 2.349 4.454 . 0 0 "[ . 1 . 2]" 1
783 1 14 TRP HE1 1 18 LYS QD 1.800 . 5.000 3.770 2.234 4.883 . 0 0 "[ . 1 . 2]" 1
784 1 14 TRP HE1 1 18 LYS QE 1.800 . 5.000 3.680 2.534 4.844 . 0 0 "[ . 1 . 2]" 1
785 1 14 TRP HE1 1 18 LYS QG 1.800 . 5.000 3.233 2.596 4.905 . 0 0 "[ . 1 . 2]" 1
786 1 14 TRP HE1 1 80 GLU QB 1.800 . 5.000 3.284 1.937 4.013 . 0 0 "[ . 1 . 2]" 1
787 1 14 TRP HE1 1 80 GLU QG 1.800 . 5.000 2.568 1.791 3.862 0.009 11 0 "[ . 1 . 2]" 1
788 1 14 TRP HE3 1 30 LEU MD2 1.800 . 5.000 4.756 4.373 5.022 0.022 11 0 "[ . 1 . 2]" 1
789 1 14 TRP HE3 1 81 VAL MG2 1.800 . 5.000 3.144 2.890 3.515 . 0 0 "[ . 1 . 2]" 1
790 1 14 TRP HH2 1 22 TRP HH2 1.800 . 5.000 2.563 2.075 2.983 . 0 0 "[ . 1 . 2]" 1
791 1 14 TRP HH2 1 22 TRP HZ2 1.800 . 5.000 4.499 3.838 5.015 0.015 12 0 "[ . 1 . 2]" 1
792 1 14 TRP HH2 1 30 LEU MD1 1.800 . 5.000 3.380 3.001 3.740 . 0 0 "[ . 1 . 2]" 1
793 1 14 TRP HH2 1 30 LEU MD2 1.800 . 5.000 2.387 1.855 2.844 . 0 0 "[ . 1 . 2]" 1
794 1 14 TRP HZ2 1 22 TRP HZ2 1.800 . 5.000 3.526 3.219 4.011 . 0 0 "[ . 1 . 2]" 1
795 1 14 TRP HZ2 1 30 LEU MD1 1.800 . 5.000 4.564 4.014 5.025 0.025 1 0 "[ . 1 . 2]" 1
796 1 14 TRP HZ2 1 80 GLU QB 1.800 . 5.000 3.446 2.901 4.347 . 0 0 "[ . 1 . 2]" 1
797 1 14 TRP HZ2 1 80 GLU QG 1.800 . 5.000 3.820 1.802 4.617 . 0 0 "[ . 1 . 2]" 1
798 1 14 TRP HZ3 1 30 LEU MD1 1.800 . 5.000 4.756 4.451 5.020 0.020 2 0 "[ . 1 . 2]" 1
799 1 14 TRP HZ3 1 30 LEU MD2 1.800 . 5.000 2.897 2.555 3.436 . 0 0 "[ . 1 . 2]" 1
800 1 14 TRP HZ3 1 77 ARG QB 1.800 . 5.000 4.101 3.596 5.042 0.042 18 0 "[ . 1 . 2]" 1
801 1 14 TRP HZ3 1 81 VAL MG2 1.800 . 5.000 3.829 3.551 4.257 . 0 0 "[ . 1 . 2]" 1
802 1 15 TYR QD 1 19 LYS QD 1.800 . 5.000 4.127 3.588 4.752 . 0 0 "[ . 1 . 2]" 1
803 1 15 TYR QD 1 22 TRP HZ3 1.800 . 5.000 2.912 1.997 3.268 . 0 0 "[ . 1 . 2]" 1
804 1 15 TYR QD 1 27 ALA MB 1.800 . 5.000 3.693 3.094 4.006 . 0 0 "[ . 1 . 2]" 1
805 1 15 TYR QD 1 30 LEU MD2 1.800 . 5.000 3.356 2.948 3.779 . 0 0 "[ . 1 . 2]" 1
806 1 15 TYR QD 1 31 ALA MB 1.800 . 5.000 2.922 2.631 3.066 . 0 0 "[ . 1 . 2]" 1
807 1 15 TYR QE 1 19 LYS QB 1.800 . 5.000 3.599 3.063 4.224 . 0 0 "[ . 1 . 2]" 1
808 1 15 TYR QE 1 19 LYS QD 1.800 . 5.000 3.129 2.590 3.991 . 0 0 "[ . 1 . 2]" 1
809 1 15 TYR QE 1 22 TRP HZ3 1.800 . 5.000 4.070 3.030 4.922 . 0 0 "[ . 1 . 2]" 1
810 1 15 TYR QE 1 27 ALA MB 1.800 . 5.000 2.127 1.949 2.354 . 0 0 "[ . 1 . 2]" 1
811 1 15 TYR QE 1 30 LEU QB 1.800 . 5.000 4.100 3.602 4.811 . 0 0 "[ . 1 . 2]" 1
812 1 15 TYR QE 1 30 LEU MD2 1.800 . 5.000 4.080 3.490 4.992 . 0 0 "[ . 1 . 2]" 1
813 1 15 TYR QE 1 31 ALA MB 1.800 . 5.000 2.531 2.257 2.876 . 0 0 "[ . 1 . 2]" 1
814 1 16 GLU QG 1 19 LYS QG 1.800 . 5.000 4.925 4.533 5.072 0.072 2 0 "[ . 1 . 2]" 1
815 1 17 HIS QB 1 84 TYR QE 1.800 . 5.000 3.907 2.878 5.002 0.002 20 0 "[ . 1 . 2]" 1
816 1 18 LYS QB 1 21 VAL MG2 1.800 . 5.000 3.897 3.109 4.587 . 0 0 "[ . 1 . 2]" 1
817 1 18 LYS QB 1 22 TRP HZ2 1.800 . 5.000 3.748 3.053 4.777 . 0 0 "[ . 1 . 2]" 1
818 1 18 LYS QB 1 22 TRP HH2 1.800 . 5.000 3.331 3.028 3.947 . 0 0 "[ . 1 . 2]" 1
819 1 18 LYS HD3 1 21 VAL MG2 1.800 . 5.000 3.580 2.120 5.010 0.010 10 0 "[ . 1 . 2]" 1
820 1 18 LYS HD2 1 21 VAL MG2 1.800 . 5.000 3.277 2.227 5.009 0.009 15 0 "[ . 1 . 2]" 1
821 1 18 LYS QD 1 22 TRP HZ2 1.800 . 5.000 3.788 2.369 4.988 . 0 0 "[ . 1 . 2]" 1
822 1 18 LYS QE 1 21 VAL MG1 1.800 . 5.000 3.567 2.167 4.596 . 0 0 "[ . 1 . 2]" 1
823 1 18 LYS QE 1 21 VAL MG2 1.800 . 5.000 3.347 2.307 4.316 . 0 0 "[ . 1 . 2]" 1
824 1 18 LYS QE 1 22 TRP HE1 1.800 . 5.000 3.692 2.793 4.995 . 0 0 "[ . 1 . 2]" 1
825 1 18 LYS QE 1 22 TRP HZ2 1.800 . 5.000 3.013 2.306 4.270 . 0 0 "[ . 1 . 2]" 1
826 1 18 LYS QG 1 22 TRP HZ2 1.800 . 5.000 3.511 2.638 4.847 . 0 0 "[ . 1 . 2]" 1
827 1 19 LYS QB 1 27 ALA MB 1.800 . 5.000 3.240 2.043 4.016 . 0 0 "[ . 1 . 2]" 1
828 1 19 LYS QD 1 27 ALA MB 1.800 . 5.000 3.679 2.390 4.589 . 0 0 "[ . 1 . 2]" 1
829 1 19 LYS QE 1 24 VAL MG2 1.800 . 5.000 3.373 2.112 5.027 0.027 10 0 "[ . 1 . 2]" 1
830 1 19 LYS QE 1 27 ALA MB 1.800 . 5.000 3.955 2.914 4.837 . 0 0 "[ . 1 . 2]" 1
831 1 19 LYS QG 1 27 ALA MB 1.800 . 5.000 2.586 2.096 3.746 . 0 0 "[ . 1 . 2]" 1
832 1 22 TRP QB 1 26 TYR QD 1.800 . 5.000 2.188 1.794 2.680 0.006 9 0 "[ . 1 . 2]" 1
833 1 22 TRP QB 1 27 ALA MB 1.800 . 5.000 2.278 1.994 2.463 . 0 0 "[ . 1 . 2]" 1
834 1 22 TRP QB 1 26 TYR QB 1.800 . 5.000 2.881 2.604 3.467 . 0 0 "[ . 1 . 2]" 1
835 1 22 TRP QB 1 26 TYR QE 1.800 . 5.000 3.857 3.431 4.451 . 0 0 "[ . 1 . 2]" 1
836 1 22 TRP HD1 1 26 TYR QD 1.800 . 5.000 4.331 3.819 4.793 . 0 0 "[ . 1 . 2]" 1
837 1 22 TRP HD1 1 26 TYR QE 1.800 . 5.000 4.475 3.547 4.976 . 0 0 "[ . 1 . 2]" 1
838 1 22 TRP HE1 1 26 TYR QE 1.800 . 5.000 4.339 3.564 5.012 0.012 2 0 "[ . 1 . 2]" 1
839 1 22 TRP HH2 1 30 LEU MD1 1.800 . 5.000 3.086 2.714 4.675 . 0 0 "[ . 1 . 2]" 1
840 1 22 TRP HH2 1 30 LEU MD2 1.800 . 5.000 2.990 2.581 3.255 . 0 0 "[ . 1 . 2]" 1
841 1 22 TRP HZ2 1 30 LEU MD1 1.800 . 5.000 3.751 3.446 5.029 0.029 11 0 "[ . 1 . 2]" 1
842 1 22 TRP HZ2 1 30 LEU MD2 1.800 . 5.000 4.661 3.776 4.987 . 0 0 "[ . 1 . 2]" 1
843 1 22 TRP HZ3 1 27 ALA MB 1.800 . 5.000 4.029 3.770 4.368 . 0 0 "[ . 1 . 2]" 1
844 1 22 TRP HZ3 1 30 LEU MD1 1.800 . 5.000 3.063 2.601 5.026 0.026 11 0 "[ . 1 . 2]" 1
845 1 22 TRP HZ3 1 30 LEU MD2 1.800 . 5.000 2.226 1.885 2.518 . 0 0 "[ . 1 . 2]" 1
846 1 22 TRP HZ3 1 30 LEU HG 1.800 . 5.000 4.994 4.745 5.028 0.028 20 0 "[ . 1 . 2]" 1
847 1 22 TRP HZ3 1 31 ALA MB 1.800 . 5.000 4.747 4.114 5.016 0.016 11 0 "[ . 1 . 2]" 1
848 1 24 VAL HB 1 27 ALA MB 1.800 . 5.000 4.611 4.300 4.998 . 0 0 "[ . 1 . 2]" 1
849 1 24 VAL MG1 1 27 ALA MB 1.800 . 5.000 4.410 3.298 4.836 . 0 0 "[ . 1 . 2]" 1
850 1 24 VAL MG2 1 27 ALA MB 1.800 . 5.000 3.575 3.248 3.967 . 0 0 "[ . 1 . 2]" 1
851 1 26 TYR QD 1 30 LEU MD1 1.800 . 5.000 3.684 3.257 4.629 . 0 0 "[ . 1 . 2]" 1
852 1 26 TYR QE 1 30 LEU QB 1.800 . 5.000 3.604 3.274 3.996 . 0 0 "[ . 1 . 2]" 1
853 1 26 TYR QE 1 30 LEU MD1 1.800 . 5.000 2.564 2.067 3.450 . 0 0 "[ . 1 . 2]" 1
854 1 26 TYR QE 1 30 LEU MD2 1.800 . 5.000 4.653 3.142 4.985 . 0 0 "[ . 1 . 2]" 1
855 1 27 ALA MB 1 30 LEU QB 1.800 . 5.000 4.015 3.681 4.293 . 0 0 "[ . 1 . 2]" 1
856 1 28 THR MG 1 31 ALA MB 1.800 . 5.000 3.690 3.013 4.025 . 0 0 "[ . 1 . 2]" 1
857 1 28 THR MG 1 32 LYS QB 1.800 . 5.000 3.221 2.924 3.431 . 0 0 "[ . 1 . 2]" 1
858 1 30 LEU MD1 1 33 MET ME 1.800 . 5.000 3.626 2.451 5.046 0.046 1 0 "[ . 1 . 2]" 1
859 1 30 LEU MD1 1 77 ARG QG 1.800 . 5.000 3.276 2.405 4.219 . 0 0 "[ . 1 . 2]" 1
860 1 30 LEU MD2 1 34 PHE QD 1.800 . 5.000 3.337 2.548 4.507 . 0 0 "[ . 1 . 2]" 1
861 1 30 LEU HG 1 34 PHE QD 1.800 . 5.000 4.196 2.955 5.006 0.006 7 0 "[ . 1 . 2]" 1
862 1 33 MET QB 1 62 PHE QE 1.800 . 5.000 3.894 2.136 4.487 . 0 0 "[ . 1 . 2]" 1
863 1 33 MET ME 1 38 ILE MD 1.800 . 5.000 4.111 3.379 5.040 0.040 19 0 "[ . 1 . 2]" 1
864 1 33 MET ME 1 62 PHE QE 1.800 . 5.000 3.694 2.187 4.419 . 0 0 "[ . 1 . 2]" 1
865 1 33 MET ME 1 70 ARG QB 1.800 . 5.000 3.560 2.617 5.033 0.033 3 0 "[ . 1 . 2]" 1
866 1 33 MET ME 1 70 ARG QD 1.800 . 5.000 3.631 2.656 5.000 0.000 16 0 "[ . 1 . 2]" 1
867 1 33 MET ME 1 70 ARG QG 1.800 . 5.000 3.467 2.753 4.037 . 0 0 "[ . 1 . 2]" 1
868 1 33 MET ME 1 73 LYS QB 1.800 . 5.000 3.317 2.529 3.967 . 0 0 "[ . 1 . 2]" 1
869 1 33 MET ME 1 73 LYS QG 1.800 . 5.000 3.898 2.670 5.039 0.039 17 0 "[ . 1 . 2]" 1
870 1 33 MET ME 1 74 ALA MB 1.800 . 5.000 4.114 3.254 4.756 . 0 0 "[ . 1 . 2]" 1
871 1 34 PHE QD 1 38 ILE HB 1.800 . 5.000 3.129 2.634 3.758 . 0 0 "[ . 1 . 2]" 1
872 1 34 PHE QD 1 38 ILE MG 1.800 . 5.000 3.328 2.071 3.972 . 0 0 "[ . 1 . 2]" 1
873 1 34 PHE QD 1 39 LEU MD2 1.800 . 5.000 3.484 2.642 4.614 . 0 0 "[ . 1 . 2]" 1
874 1 34 PHE QD 1 74 ALA MB 1.800 . 5.000 4.753 4.043 5.026 0.026 8 0 "[ . 1 . 2]" 1
875 1 34 PHE QE 1 38 ILE MD 1.800 . 5.000 3.193 2.900 4.251 . 0 0 "[ . 1 . 2]" 1
876 1 34 PHE QE 1 38 ILE MG 1.800 . 5.000 3.050 2.108 4.118 . 0 0 "[ . 1 . 2]" 1
877 1 34 PHE QE 1 58 VAL MG1 1.800 . 5.000 4.872 4.454 5.052 0.052 13 0 "[ . 1 . 2]" 1
878 1 34 PHE QE 1 74 ALA MB 1.800 . 5.000 4.387 3.386 5.008 0.008 4 0 "[ . 1 . 2]" 1
879 1 34 PHE QE 1 77 ARG QB 1.800 . 5.000 2.540 1.963 3.227 . 0 0 "[ . 1 . 2]" 1
880 1 34 PHE QE 1 81 VAL MG2 1.800 . 5.000 3.340 2.932 3.979 . 0 0 "[ . 1 . 2]" 1
881 1 34 PHE HZ 1 77 ARG QB 1.800 . 5.000 3.486 1.746 5.021 0.054 3 0 "[ . 1 . 2]" 1
882 1 34 PHE HZ 1 81 VAL MG2 1.800 . 5.000 3.404 2.501 5.011 0.011 20 0 "[ . 1 . 2]" 1
883 1 35 ASP QB 1 39 LEU MD1 1.800 . 5.000 4.221 2.928 5.074 0.074 2 0 "[ . 1 . 2]" 1
884 1 37 ASP QB 1 62 PHE QE 1.800 . 5.000 3.040 2.761 3.436 . 0 0 "[ . 1 . 2]" 1
885 1 37 ASP QB 1 61 ARG QB 1.800 . 5.000 3.313 2.631 3.793 . 0 0 "[ . 1 . 2]" 1
886 1 37 ASP QB 1 61 ARG QG 1.800 . 5.000 2.334 1.791 4.943 0.009 9 0 "[ . 1 . 2]" 1
887 1 38 ILE MD 1 58 VAL MG1 1.800 . 5.000 2.270 1.765 2.534 0.035 19 0 "[ . 1 . 2]" 1
888 1 38 ILE MD 1 58 VAL MG2 1.800 . 5.000 3.660 2.265 4.041 . 0 0 "[ . 1 . 2]" 1
889 1 38 ILE MD 1 62 PHE QE 1.800 . 5.000 2.378 1.825 3.516 . 0 0 "[ . 1 . 2]" 1
890 1 38 ILE MD 1 74 ALA MB 1.800 . 5.000 2.420 2.183 2.827 . 0 0 "[ . 1 . 2]" 1
891 1 38 ILE MD 1 77 ARG QB 1.800 . 5.000 4.472 3.539 5.101 0.101 20 0 "[ . 1 . 2]" 1
892 1 38 ILE QG 1 58 VAL MG1 1.800 . 5.000 1.844 1.749 3.133 0.051 5 0 "[ . 1 . 2]" 1
893 1 38 ILE QG 1 62 PHE QE 1.800 . 5.000 2.690 1.932 4.123 . 0 0 "[ . 1 . 2]" 1
894 1 38 ILE QG 1 74 ALA MB 1.800 . 5.000 3.424 3.093 3.914 . 0 0 "[ . 1 . 2]" 1
895 1 38 ILE MG 1 58 VAL MG1 1.800 . 5.000 2.544 1.838 3.899 . 0 0 "[ . 1 . 2]" 1
896 1 39 LEU MD2 1 42 ILE MD 1.800 . 5.000 4.921 4.479 5.043 0.043 12 0 "[ . 1 . 2]" 1
897 1 39 LEU MD2 1 42 ILE QG 1.800 . 5.000 4.176 3.699 4.413 . 0 0 "[ . 1 . 2]" 1
898 1 41 ILE HB 1 58 VAL MG2 1.800 . 5.000 2.157 1.993 2.314 . 0 0 "[ . 1 . 2]" 1
899 1 41 ILE MD 1 57 GLU QG 1.800 . 5.000 2.253 1.849 2.786 . 0 0 "[ . 1 . 2]" 1
900 1 41 ILE MD 1 58 VAL MG2 1.800 . 5.000 3.563 2.260 4.012 . 0 0 "[ . 1 . 2]" 1
901 1 41 ILE MD 1 61 ARG QD 1.800 . 5.000 2.907 2.458 3.252 . 0 0 "[ . 1 . 2]" 1
902 1 41 ILE QG 1 57 GLU QG 1.800 . 5.000 3.467 3.129 4.008 . 0 0 "[ . 1 . 2]" 1
903 1 41 ILE QG 1 61 ARG QD 1.800 . 5.000 3.719 2.394 4.295 . 0 0 "[ . 1 . 2]" 1
904 1 41 ILE MG 1 54 GLN QG 1.800 . 5.000 2.743 1.935 3.630 . 0 0 "[ . 1 . 2]" 1
905 1 41 ILE MG 1 57 GLU QB 1.800 . 5.000 2.271 1.989 2.678 . 0 0 "[ . 1 . 2]" 1
906 1 41 ILE MG 1 57 GLU QG 1.800 . 5.000 2.637 2.206 3.303 . 0 0 "[ . 1 . 2]" 1
907 1 41 ILE MG 1 58 VAL MG2 1.800 . 5.000 1.935 1.819 2.043 . 0 0 "[ . 1 . 2]" 1
908 1 42 ILE HB 1 45 LEU MD1 1.800 . 5.000 2.396 2.033 2.583 . 0 0 "[ . 1 . 2]" 1
909 1 42 ILE HB 1 45 LEU HG 1.800 . 5.000 3.972 3.774 4.162 . 0 0 "[ . 1 . 2]" 1
910 1 42 ILE HB 1 50 ILE MD 1.800 . 5.000 2.486 2.219 2.835 . 0 0 "[ . 1 . 2]" 1
911 1 42 ILE MD 1 45 LEU MD1 1.800 . 5.000 3.990 3.706 4.139 . 0 0 "[ . 1 . 2]" 1
912 1 42 ILE MD 1 50 ILE MD 1.800 . 5.000 1.992 1.788 2.308 0.012 16 0 "[ . 1 . 2]" 1
913 1 42 ILE MD 1 50 ILE MG 1.800 . 5.000 2.717 2.425 3.100 . 0 0 "[ . 1 . 2]" 1
914 1 42 ILE MD 1 55 LEU MD1 1.800 . 5.000 2.198 1.974 2.522 . 0 0 "[ . 1 . 2]" 1
915 1 42 ILE MD 1 55 LEU MD2 1.800 . 5.000 4.067 3.751 4.410 . 0 0 "[ . 1 . 2]" 1
916 1 42 ILE MD 1 58 VAL MG1 1.800 . 5.000 3.838 3.532 4.092 . 0 0 "[ . 1 . 2]" 1
917 1 42 ILE MD 1 58 VAL MG2 1.800 . 5.000 2.747 2.420 2.958 . 0 0 "[ . 1 . 2]" 1
918 1 42 ILE MD 1 82 PHE QE 1.800 . 5.000 3.979 3.210 4.438 . 0 0 "[ . 1 . 2]" 1
919 1 42 ILE QG 1 58 VAL MG1 1.800 . 5.000 3.850 3.656 4.118 . 0 0 "[ . 1 . 2]" 1
920 1 42 ILE QG 1 58 VAL MG2 1.800 . 5.000 2.187 1.949 2.456 . 0 0 "[ . 1 . 2]" 1
921 1 42 ILE QG 1 45 LEU MD1 1.800 . 5.000 4.005 3.778 4.163 . 0 0 "[ . 1 . 2]" 1
922 1 42 ILE QG 1 50 ILE MD 1.800 . 5.000 3.593 3.374 3.825 . 0 0 "[ . 1 . 2]" 1
923 1 42 ILE MG 1 45 LEU MD1 1.800 . 5.000 1.916 1.829 2.079 . 0 0 "[ . 1 . 2]" 1
924 1 42 ILE MG 1 45 LEU HG 1.800 . 5.000 3.951 3.793 4.103 . 0 0 "[ . 1 . 2]" 1
925 1 42 ILE MG 1 50 ILE MD 1.800 . 5.000 3.112 2.800 3.507 . 0 0 "[ . 1 . 2]" 1
926 1 42 ILE MG 1 50 ILE QG 1.800 . 5.000 3.615 3.180 4.146 . 0 0 "[ . 1 . 2]" 1
927 1 42 ILE MG 1 50 ILE MG 1.800 . 5.000 2.249 2.053 2.498 . 0 0 "[ . 1 . 2]" 1
928 1 42 ILE MG 1 54 GLN QB 1.800 . 5.000 2.385 1.786 3.046 0.014 11 0 "[ . 1 . 2]" 1
929 1 42 ILE MG 1 54 GLN QG 1.800 . 5.000 2.691 1.772 3.753 0.028 14 0 "[ . 1 . 2]" 1
930 1 42 ILE MG 1 55 LEU MD2 1.800 . 5.000 4.747 4.388 5.029 0.029 19 0 "[ . 1 . 2]" 1
931 1 42 ILE MG 1 58 VAL HB 1.800 . 5.000 4.406 4.092 4.844 . 0 0 "[ . 1 . 2]" 1
932 1 42 ILE MG 1 58 VAL MG1 1.800 . 5.000 4.486 4.266 4.787 . 0 0 "[ . 1 . 2]" 1
933 1 42 ILE MG 1 58 VAL MG2 1.800 . 5.000 2.404 2.184 2.698 . 0 0 "[ . 1 . 2]" 1
934 1 45 LEU QB 1 50 ILE MD 1.800 . 5.000 2.978 2.799 3.189 . 0 0 "[ . 1 . 2]" 1
935 1 45 LEU QB 1 50 ILE QG 1.800 . 5.000 2.135 1.905 2.355 . 0 0 "[ . 1 . 2]" 1
936 1 45 LEU MD1 1 50 ILE MD 1.800 . 5.000 3.571 3.205 3.823 . 0 0 "[ . 1 . 2]" 1
937 1 45 LEU MD1 1 50 ILE QG 1.800 . 5.000 2.733 2.528 3.000 . 0 0 "[ . 1 . 2]" 1
938 1 45 LEU MD1 1 54 GLN QE 1.800 . 5.000 2.875 2.054 4.107 . 0 0 "[ . 1 . 2]" 1
939 1 45 LEU MD1 1 54 GLN QG 1.800 . 5.000 2.838 1.818 3.810 . 0 0 "[ . 1 . 2]" 1
940 1 45 LEU MD2 1 49 ASP QB 1.800 . 5.000 4.561 4.000 5.022 0.022 11 0 "[ . 1 . 2]" 1
941 1 45 LEU MD2 1 51 GLU QG 1.800 . 5.000 4.774 3.883 5.042 0.042 4 0 "[ . 1 . 2]" 1
942 1 45 LEU MD2 1 54 GLN QE 1.800 . 5.000 3.848 2.754 5.016 0.016 11 0 "[ . 1 . 2]" 1
943 1 46 GLU QB 1 49 ASP QB 1.800 . 5.000 2.299 1.827 2.845 . 0 0 "[ . 1 . 2]" 1
944 1 46 GLU QB 1 48 GLN QG 1.800 . 5.000 4.161 3.411 5.034 0.034 4 0 "[ . 1 . 2]" 1
945 1 46 GLU QG 1 49 ASP QB 1.800 . 5.000 3.840 3.228 4.668 . 0 0 "[ . 1 . 2]" 1
946 1 47 ILE MD 1 50 ILE MD 1.800 . 5.000 4.127 3.743 4.474 . 0 0 "[ . 1 . 2]" 1
947 1 47 ILE MD 1 81 VAL MG1 1.800 . 5.000 2.046 1.791 2.364 0.009 4 0 "[ . 1 . 2]" 1
948 1 47 ILE MD 1 82 PHE QD 1.800 . 5.000 2.669 1.866 3.163 . 0 0 "[ . 1 . 2]" 1
949 1 47 ILE MD 1 82 PHE QE 1.800 . 5.000 3.680 3.163 3.956 . 0 0 "[ . 1 . 2]" 1
950 1 47 ILE MD 1 85 ALA MB 1.800 . 5.000 1.828 1.766 1.982 0.034 15 0 "[ . 1 . 2]" 1
951 1 47 ILE MD 1 91 ALA MB 1.800 . 5.000 3.111 2.557 3.651 . 0 0 "[ . 1 . 2]" 1
952 1 47 ILE QG 1 82 PHE QD 1.800 . 5.000 2.200 1.868 3.065 . 0 0 "[ . 1 . 2]" 1
953 1 47 ILE QG 1 82 PHE QE 1.800 . 5.000 2.378 2.059 3.040 . 0 0 "[ . 1 . 2]" 1
954 1 47 ILE QG 1 50 ILE MD 1.800 . 5.000 2.853 2.367 3.255 . 0 0 "[ . 1 . 2]" 1
955 1 47 ILE QG 1 85 ALA MB 1.800 . 5.000 3.306 3.068 3.533 . 0 0 "[ . 1 . 2]" 1
956 1 47 ILE QG 1 91 ALA MB 1.800 . 5.000 3.190 2.789 3.740 . 0 0 "[ . 1 . 2]" 1
957 1 47 ILE MG 1 81 VAL MG1 1.800 . 5.000 4.459 4.163 4.807 . 0 0 "[ . 1 . 2]" 1
958 1 47 ILE MG 1 82 PHE QD 1.800 . 5.000 4.000 3.708 4.651 . 0 0 "[ . 1 . 2]" 1
959 1 47 ILE MG 1 85 ALA MB 1.800 . 5.000 2.436 2.153 2.777 . 0 0 "[ . 1 . 2]" 1
960 1 47 ILE MG 1 90 ARG QB 1.800 . 5.000 3.226 2.821 4.408 . 0 0 "[ . 1 . 2]" 1
961 1 47 ILE MG 1 91 ALA MB 1.800 . 5.000 2.347 2.016 2.764 . 0 0 "[ . 1 . 2]" 1
962 1 48 GLN QB 1 91 ALA MB 1.800 . 5.000 4.212 2.493 4.885 . 0 0 "[ . 1 . 2]" 1
963 1 48 GLN QG 1 91 ALA MB 1.800 . 5.000 3.222 2.429 3.909 . 0 0 "[ . 1 . 2]" 1
964 1 50 ILE HB 1 55 LEU MD1 1.800 . 5.000 4.594 4.245 4.871 . 0 0 "[ . 1 . 2]" 1
965 1 50 ILE HB 1 82 PHE QE 1.800 . 5.000 3.527 2.578 4.105 . 0 0 "[ . 1 . 2]" 1
966 1 50 ILE HB 1 82 PHE HZ 1.800 . 5.000 3.373 2.611 4.255 . 0 0 "[ . 1 . 2]" 1
967 1 50 ILE HB 1 95 PRO QG 1.800 . 5.000 2.945 1.898 3.908 . 0 0 "[ . 1 . 2]" 1
968 1 50 ILE MD 1 82 PHE QD 1.800 . 5.000 4.337 3.889 4.808 . 0 0 "[ . 1 . 2]" 1
969 1 50 ILE MD 1 82 PHE QE 1.800 . 5.000 2.481 1.825 3.084 . 0 0 "[ . 1 . 2]" 1
970 1 50 ILE MD 1 82 PHE HZ 1.800 . 5.000 2.486 1.830 3.224 . 0 0 "[ . 1 . 2]" 1
971 1 50 ILE QG 1 55 LEU MD1 1.800 . 5.000 4.959 4.554 5.023 0.023 17 0 "[ . 1 . 2]" 1
972 1 50 ILE MG 1 54 GLN QB 1.800 . 5.000 2.692 2.233 3.222 . 0 0 "[ . 1 . 2]" 1
973 1 50 ILE MG 1 54 GLN QG 1.800 . 5.000 3.894 2.726 5.005 0.005 2 0 "[ . 1 . 2]" 1
974 1 50 ILE MG 1 55 LEU QB 1.800 . 5.000 2.466 2.096 2.661 . 0 0 "[ . 1 . 2]" 1
975 1 50 ILE MG 1 55 LEU MD2 1.800 . 5.000 3.388 2.873 3.690 . 0 0 "[ . 1 . 2]" 1
976 1 50 ILE MG 1 82 PHE QE 1.800 . 5.000 3.979 3.392 4.478 . 0 0 "[ . 1 . 2]" 1
977 1 50 ILE MG 1 82 PHE HZ 1.800 . 5.000 3.106 2.258 3.829 . 0 0 "[ . 1 . 2]" 1
978 1 51 GLU QG 1 54 GLN QE 1.800 . 5.000 4.468 3.262 5.090 0.090 17 0 "[ . 1 . 2]" 1
979 1 52 PRO QB 1 99 LEU MD2 1.800 . 5.000 4.257 3.538 5.020 0.020 19 0 "[ . 1 . 2]" 1
980 1 52 PRO QD 1 95 PRO QB 1.800 . 5.000 3.677 2.536 4.984 . 0 0 "[ . 1 . 2]" 1
981 1 52 PRO QG 1 102 ALA MB 1.800 . 5.000 4.138 3.089 5.006 0.006 19 0 "[ . 1 . 2]" 1
982 1 52 PRO QG 1 95 PRO QB 1.800 . 5.000 3.505 2.185 4.702 . 0 0 "[ . 1 . 2]" 1
983 1 52 PRO QG 1 98 ASP QB 1.800 . 5.000 2.716 2.117 3.709 . 0 0 "[ . 1 . 2]" 1
984 1 54 GLN QG 1 58 VAL MG2 1.800 . 5.000 4.468 3.567 5.130 0.130 15 0 "[ . 1 . 2]" 1
985 1 55 LEU QB 1 82 PHE QE 1.800 . 5.000 4.431 4.137 4.773 . 0 0 "[ . 1 . 2]" 1
986 1 55 LEU QB 1 82 PHE HZ 1.800 . 5.000 3.989 3.517 4.367 . 0 0 "[ . 1 . 2]" 1
987 1 55 LEU QB 1 99 LEU MD2 1.800 . 5.000 2.248 1.979 2.819 . 0 0 "[ . 1 . 2]" 1
988 1 55 LEU MD1 1 58 VAL HB 1.800 . 5.000 2.939 2.658 3.203 . 0 0 "[ . 1 . 2]" 1
989 1 55 LEU MD1 1 78 CYS QB 1.800 . 5.000 2.447 2.132 2.661 . 0 0 "[ . 1 . 2]" 1
990 1 55 LEU MD1 1 82 PHE QD 1.800 . 5.000 4.588 4.105 5.011 0.011 2 0 "[ . 1 . 2]" 1
991 1 55 LEU MD1 1 82 PHE QE 1.800 . 5.000 2.795 2.315 3.338 . 0 0 "[ . 1 . 2]" 1
992 1 55 LEU MD2 1 78 CYS QB 1.800 . 5.000 3.231 2.916 3.712 . 0 0 "[ . 1 . 2]" 1
993 1 55 LEU MD2 1 82 PHE QE 1.800 . 5.000 2.328 1.886 3.238 . 0 0 "[ . 1 . 2]" 1
994 1 55 LEU MD2 1 94 ASN QB 1.800 . 5.000 4.810 4.147 5.037 0.037 7 0 "[ . 1 . 2]" 1
995 1 55 LEU MD2 1 96 ALA MB 1.800 . 5.000 4.001 3.535 4.426 . 0 0 "[ . 1 . 2]" 1
996 1 55 LEU HG 1 58 VAL MG2 1.800 . 5.000 4.518 4.216 4.778 . 0 0 "[ . 1 . 2]" 1
997 1 56 LEU MD1 1 102 ALA MB 1.800 . 5.000 3.575 1.918 4.411 . 0 0 "[ . 1 . 2]" 1
998 1 56 LEU MD1 1 103 MET QB 1.800 . 5.000 4.202 1.967 4.924 . 0 0 "[ . 1 . 2]" 1
999 1 56 LEU MD1 1 103 MET QG 1.800 . 5.000 4.023 2.588 4.938 . 0 0 "[ . 1 . 2]" 1
1000 1 56 LEU MD1 1 106 TYR QB 1.800 . 5.000 3.054 2.394 3.492 . 0 0 "[ . 1 . 2]" 1
1001 1 56 LEU MD1 1 106 TYR QD 1.800 . 5.000 2.995 1.785 4.085 0.015 8 0 "[ . 1 . 2]" 1
1002 1 56 LEU MD1 1 106 TYR QE 1.800 . 5.000 3.578 2.342 5.030 0.030 14 0 "[ . 1 . 2]" 1
1003 1 56 LEU MD1 1 59 ILE HB 1.800 . 5.000 3.941 2.400 4.645 . 0 0 "[ . 1 . 2]" 1
1004 1 56 LEU MD1 1 60 ARG QB 1.800 . 5.000 2.629 1.864 4.687 . 0 0 "[ . 1 . 2]" 1
1005 1 56 LEU MD1 1 60 ARG QD 1.800 . 5.000 2.642 1.902 5.009 0.009 14 0 "[ . 1 . 2]" 1
1006 1 56 LEU MD2 1 102 ALA MB 1.800 . 5.000 3.442 1.813 4.393 . 0 0 "[ . 1 . 2]" 1
1007 1 56 LEU MD2 1 103 MET QG 1.800 . 5.000 2.685 2.001 4.336 . 0 0 "[ . 1 . 2]" 1
1008 1 56 LEU MD2 1 106 TYR QD 1.800 . 5.000 4.238 2.122 4.955 . 0 0 "[ . 1 . 2]" 1
1009 1 56 LEU MD2 1 59 ILE HB 1.800 . 5.000 2.560 1.814 5.020 0.020 14 0 "[ . 1 . 2]" 1
1010 1 56 LEU MD2 1 60 ARG QD 1.800 . 5.000 3.741 2.706 4.622 . 0 0 "[ . 1 . 2]" 1
1011 1 56 LEU MD2 1 60 ARG HE 1.800 . 5.000 4.700 2.466 5.086 0.086 15 0 "[ . 1 . 2]" 1
1012 1 56 LEU HG 1 103 MET ME 1.800 . 5.000 4.677 3.838 5.017 0.017 18 0 "[ . 1 . 2]" 1
1013 1 56 LEU HG 1 103 MET QG 1.800 . 5.000 4.337 3.229 4.921 . 0 0 "[ . 1 . 2]" 1
1014 1 56 LEU HG 1 106 TYR QB 1.800 . 5.000 3.648 3.082 4.983 . 0 0 "[ . 1 . 2]" 1
1015 1 56 LEU HG 1 106 TYR QD 1.800 . 5.000 4.195 3.027 5.003 0.003 18 0 "[ . 1 . 2]" 1
1016 1 56 LEU HG 1 59 ILE MG 1.800 . 5.000 4.963 3.831 5.065 0.065 5 0 "[ . 1 . 2]" 1
1017 1 56 LEU HG 1 60 ARG QD 1.800 . 5.000 4.737 3.898 5.050 0.050 17 0 "[ . 1 . 2]" 1
1018 1 57 GLU QB 1 61 ARG QB 1.800 . 5.000 4.852 4.641 5.032 0.032 8 0 "[ . 1 . 2]" 1
1019 1 57 GLU QG 1 61 ARG QB 1.800 . 5.000 3.624 3.361 3.902 . 0 0 "[ . 1 . 2]" 1
1020 1 57 GLU QG 1 61 ARG QD 1.800 . 5.000 4.439 3.942 4.921 . 0 0 "[ . 1 . 2]" 1
1021 1 57 GLU QG 1 60 ARG QB 1.800 . 5.000 3.739 2.901 4.535 . 0 0 "[ . 1 . 2]" 1
1022 1 58 VAL MG1 1 62 PHE QD 1.800 . 5.000 2.972 2.699 3.205 . 0 0 "[ . 1 . 2]" 1
1023 1 58 VAL MG1 1 62 PHE QE 1.800 . 5.000 2.317 2.094 2.581 . 0 0 "[ . 1 . 2]" 1
1024 1 58 VAL MG1 1 74 ALA MB 1.800 . 5.000 2.387 1.917 2.694 . 0 0 "[ . 1 . 2]" 1
1025 1 58 VAL MG2 1 61 ARG QB 1.800 . 5.000 4.110 3.822 4.236 . 0 0 "[ . 1 . 2]" 1
1026 1 58 VAL MG2 1 61 ARG QG 1.800 . 5.000 4.863 4.476 5.038 0.038 12 0 "[ . 1 . 2]" 1
1027 1 59 ILE HB 1 74 ALA MB 1.800 . 5.000 5.062 5.016 5.141 0.141 14 0 "[ . 1 . 2]" 1
1028 1 59 ILE MD 1 103 MET ME 1.800 . 5.000 3.753 3.320 4.047 . 0 0 "[ . 1 . 2]" 1
1029 1 59 ILE MD 1 71 ALA MB 1.800 . 5.000 4.216 3.442 4.617 . 0 0 "[ . 1 . 2]" 1
1030 1 59 ILE MD 1 74 ALA MB 1.800 . 5.000 2.541 1.925 2.833 . 0 0 "[ . 1 . 2]" 1
1031 1 59 ILE MD 1 75 ARG QB 1.800 . 5.000 2.361 1.926 2.941 . 0 0 "[ . 1 . 2]" 1
1032 1 59 ILE MD 1 75 ARG QD 1.800 . 5.000 4.110 3.317 4.863 . 0 0 "[ . 1 . 2]" 1
1033 1 59 ILE MD 1 75 ARG QG 1.800 . 5.000 3.248 3.020 3.618 . 0 0 "[ . 1 . 2]" 1
1034 1 59 ILE QG 1 103 MET QG 1.800 . 5.000 5.010 4.731 5.057 0.057 6 0 "[ . 1 . 2]" 1
1035 1 59 ILE QG 1 103 MET ME 1.800 . 5.000 2.644 2.271 2.931 . 0 0 "[ . 1 . 2]" 1
1036 1 59 ILE QG 1 71 ALA MB 1.800 . 5.000 3.289 2.675 4.962 . 0 0 "[ . 1 . 2]" 1
1037 1 59 ILE QG 1 74 ALA MB 1.800 . 5.000 3.058 2.759 3.898 . 0 0 "[ . 1 . 2]" 1
1038 1 59 ILE MG 1 103 MET ME 1.800 . 5.000 1.845 1.772 2.372 0.028 5 0 "[ . 1 . 2]" 1
1039 1 59 ILE MG 1 63 GLU QB 1.800 . 5.000 3.570 2.703 4.276 . 0 0 "[ . 1 . 2]" 1
1040 1 59 ILE MG 1 63 GLU QG 1.800 . 5.000 3.605 2.300 5.005 0.005 14 0 "[ . 1 . 2]" 1
1041 1 59 ILE MG 1 68 MET ME 1.800 . 5.000 4.043 2.914 5.000 0.000 5 0 "[ . 1 . 2]" 1
1042 1 59 ILE MG 1 71 ALA MB 1.800 . 5.000 2.048 1.770 2.442 0.030 3 0 "[ . 1 . 2]" 1
1043 1 59 ILE MG 1 75 ARG QB 1.800 . 5.000 3.955 3.157 4.282 . 0 0 "[ . 1 . 2]" 1
1044 1 60 ARG QD 1 106 TYR QD 1.800 . 5.000 3.538 2.690 4.723 . 0 0 "[ . 1 . 2]" 1
1045 1 60 ARG QD 1 106 TYR QE 1.800 . 5.000 3.104 2.028 4.971 . 0 0 "[ . 1 . 2]" 1
1046 1 60 ARG QG 1 106 TYR QE 1.800 . 5.000 4.114 2.850 5.019 0.019 2 0 "[ . 1 . 2]" 1
1047 1 62 PHE QB 1 71 ALA MB 1.800 . 5.000 2.105 1.864 2.362 . 0 0 "[ . 1 . 2]" 1
1048 1 62 PHE QB 1 67 ALA MB 1.800 . 5.000 2.390 1.885 3.042 . 0 0 "[ . 1 . 2]" 1
1049 1 62 PHE QD 1 67 ALA MB 1.800 . 5.000 2.646 2.244 3.085 . 0 0 "[ . 1 . 2]" 1
1050 1 62 PHE QD 1 70 ARG QB 1.800 . 5.000 2.593 2.263 2.981 . 0 0 "[ . 1 . 2]" 1
1051 1 62 PHE QD 1 70 ARG QD 1.800 . 5.000 3.360 2.041 4.514 . 0 0 "[ . 1 . 2]" 1
1052 1 62 PHE QD 1 70 ARG QG 1.800 . 5.000 4.264 2.590 4.985 . 0 0 "[ . 1 . 2]" 1
1053 1 62 PHE QD 1 71 ALA MB 1.800 . 5.000 3.667 3.365 3.963 . 0 0 "[ . 1 . 2]" 1
1054 1 62 PHE QD 1 74 ALA MB 1.800 . 5.000 2.962 2.560 3.313 . 0 0 "[ . 1 . 2]" 1
1055 1 62 PHE QE 1 70 ARG QB 1.800 . 5.000 3.152 2.772 4.077 . 0 0 "[ . 1 . 2]" 1
1056 1 62 PHE QE 1 70 ARG QD 1.800 . 5.000 3.415 2.599 5.020 0.020 16 0 "[ . 1 . 2]" 1
1057 1 62 PHE QE 1 74 ALA MB 1.800 . 5.000 2.440 2.207 2.973 . 0 0 "[ . 1 . 2]" 1
1058 1 63 GLU QB 1 71 ALA MB 1.800 . 5.000 3.778 2.501 4.697 . 0 0 "[ . 1 . 2]" 1
1059 1 63 GLU QG 1 71 ALA MB 1.800 . 5.000 3.496 1.966 4.953 . 0 0 "[ . 1 . 2]" 1
1060 1 65 ARG QB 1 67 ALA MB 1.800 . 5.000 2.900 2.215 3.279 . 0 0 "[ . 1 . 2]" 1
1061 1 65 ARG HE 1 67 ALA MB 1.800 . 5.000 4.232 3.377 5.087 0.087 12 0 "[ . 1 . 2]" 1
1062 1 65 ARG QG 1 67 ALA MB 1.800 . 5.000 4.208 2.335 4.879 . 0 0 "[ . 1 . 2]" 1
1063 1 67 ALA MB 1 70 ARG QD 1.800 . 5.000 2.564 1.788 4.020 0.012 1 0 "[ . 1 . 2]" 1
1064 1 68 MET QB 1 71 ALA MB 1.800 . 5.000 4.026 3.632 4.408 . 0 0 "[ . 1 . 2]" 1
1065 1 68 MET ME 1 71 ALA MB 1.800 . 5.000 2.643 2.108 3.202 . 0 0 "[ . 1 . 2]" 1
1066 1 71 ALA MB 1 103 MET ME 1.800 . 5.000 4.329 3.776 4.713 . 0 0 "[ . 1 . 2]" 1
1067 1 71 ALA MB 1 74 ALA MB 1.800 . 5.000 3.915 3.525 4.172 . 0 0 "[ . 1 . 2]" 1
1068 1 74 ALA MB 1 77 ARG QB 1.800 . 5.000 4.358 4.086 4.980 . 0 0 "[ . 1 . 2]" 1
1069 1 75 ARG QD 1 100 ALA MB 1.800 . 5.000 4.415 3.128 5.022 0.022 3 0 "[ . 1 . 2]" 1
1070 1 75 ARG QD 1 103 MET ME 1.800 . 5.000 2.748 1.790 4.374 0.010 3 0 "[ . 1 . 2]" 1
1071 1 75 ARG QD 1 99 LEU MD2 1.800 . 5.000 4.637 4.099 5.030 0.030 4 0 "[ . 1 . 2]" 1
1072 1 75 ARG QD 1 99 LEU HG 1.800 . 5.000 4.474 3.842 5.037 0.037 13 0 "[ . 1 . 2]" 1
1073 1 75 ARG HE 1 99 LEU MD2 1.800 . 5.000 4.868 4.412 5.063 0.063 18 0 "[ . 1 . 2]" 1
1074 1 75 ARG QG 1 99 LEU MD2 1.800 . 5.000 4.026 3.668 4.473 . 0 0 "[ . 1 . 2]" 1
1075 1 78 CYS QB 1 82 PHE QB 1.800 . 5.000 4.946 4.762 5.016 0.016 5 0 "[ . 1 . 2]" 1
1076 1 78 CYS QB 1 82 PHE QD 1.800 . 5.000 3.427 2.998 3.887 . 0 0 "[ . 1 . 2]" 1
1077 1 78 CYS QB 1 82 PHE QE 1.800 . 5.000 2.616 2.328 2.985 . 0 0 "[ . 1 . 2]" 1
1078 1 81 VAL MG1 1 84 TYR QB 1.800 . 5.000 3.470 3.179 3.855 . 0 0 "[ . 1 . 2]" 1
1079 1 81 VAL MG1 1 84 TYR QD 1.800 . 5.000 4.207 3.436 4.980 . 0 0 "[ . 1 . 2]" 1
1080 1 81 VAL MG1 1 85 ALA MB 1.800 . 5.000 3.453 3.236 3.706 . 0 0 "[ . 1 . 2]" 1
1081 1 82 PHE QB 1 86 ILE MD 1.800 . 5.000 3.331 3.048 3.520 . 0 0 "[ . 1 . 2]" 1
1082 1 82 PHE QB 1 94 ASN QD 1.800 . 5.000 2.720 1.799 4.281 0.001 1 0 "[ . 1 . 2]" 1
1083 1 82 PHE QD 1 86 ILE MD 1.800 . 5.000 4.843 4.449 5.012 0.012 17 0 "[ . 1 . 2]" 1
1084 1 82 PHE QD 1 94 ASN QB 1.800 . 5.000 2.875 2.510 3.669 . 0 0 "[ . 1 . 2]" 1
1085 1 82 PHE QD 1 95 PRO QD 1.800 . 5.000 3.170 1.904 3.661 . 0 0 "[ . 1 . 2]" 1
1086 1 82 PHE QD 1 96 ALA MB 1.800 . 5.000 3.819 2.891 5.006 0.006 16 0 "[ . 1 . 2]" 1
1087 1 82 PHE QE 1 94 ASN QB 1.800 . 5.000 4.087 3.661 5.014 0.014 7 0 "[ . 1 . 2]" 1
1088 1 82 PHE QE 1 95 PRO QD 1.800 . 5.000 2.854 2.150 3.222 . 0 0 "[ . 1 . 2]" 1
1089 1 82 PHE HZ 1 95 PRO QG 1.800 . 5.000 3.247 2.630 3.988 . 0 0 "[ . 1 . 2]" 1
1090 1 83 ARG QB 1 87 VAL MG2 1.800 . 5.000 4.208 4.025 5.016 0.016 13 0 "[ . 1 . 2]" 1
1091 1 83 ARG QG 1 86 ILE MD 1.800 . 5.000 3.630 2.620 4.547 . 0 0 "[ . 1 . 2]" 1
1092 1 83 ARG QG 1 87 VAL MG1 1.800 . 5.000 4.779 3.326 5.015 0.015 12 0 "[ . 1 . 2]" 1
1093 1 83 ARG QG 1 87 VAL MG2 1.800 . 5.000 2.654 2.417 3.580 . 0 0 "[ . 1 . 2]" 1
1094 1 84 TYR QD 1 87 VAL MG2 1.800 . 5.000 4.502 3.128 5.006 0.006 17 0 "[ . 1 . 2]" 1
1095 1 84 TYR QD 1 88 THR HB 1.800 . 5.000 4.795 3.959 5.067 0.067 5 0 "[ . 1 . 2]" 1
1096 1 84 TYR QD 1 88 THR MG 1.800 . 5.000 3.385 2.633 4.115 . 0 0 "[ . 1 . 2]" 1
1097 1 84 TYR QE 1 88 THR MG 1.800 . 5.000 3.260 2.479 4.424 . 0 0 "[ . 1 . 2]" 1
1098 1 85 ALA MB 1 90 ARG QB 1.800 . 5.000 2.419 1.899 3.936 . 0 0 "[ . 1 . 2]" 1
1099 1 85 ALA MB 1 90 ARG QD 1.800 . 5.000 3.683 3.158 4.902 . 0 0 "[ . 1 . 2]" 1
1100 1 85 ALA MB 1 91 ALA MB 1.800 . 5.000 2.047 1.898 2.467 . 0 0 "[ . 1 . 2]" 1
1101 1 86 ILE HB 1 91 ALA MB 1.800 . 5.000 4.426 3.915 5.007 0.007 3 0 "[ . 1 . 2]" 1
1102 1 86 ILE MD 1 91 ALA MB 1.800 . 5.000 3.609 3.268 4.089 . 0 0 "[ . 1 . 2]" 1
1103 1 86 ILE MD 1 94 ASN QB 1.800 . 5.000 2.846 2.154 4.118 . 0 0 "[ . 1 . 2]" 1
1104 1 86 ILE MD 1 94 ASN QD 1.800 . 5.000 3.083 1.887 3.861 . 0 0 "[ . 1 . 2]" 1
1105 1 86 ILE QG 1 91 ALA MB 1.800 . 5.000 2.381 1.975 2.901 . 0 0 "[ . 1 . 2]" 1
1106 1 86 ILE MG 1 91 ALA MB 1.800 . 5.000 4.091 3.716 4.521 . 0 0 "[ . 1 . 2]" 1
1107 1 88 THR MG 1 90 ARG QB 1.800 . 5.000 3.812 2.231 4.946 . 0 0 "[ . 1 . 2]" 1
1108 1 88 THR MG 1 90 ARG QG 1.800 . 5.000 3.193 1.786 4.997 0.014 16 0 "[ . 1 . 2]" 1
1109 1 93 TYR QD 1 95 PRO QD 1.800 . 5.000 4.144 3.098 4.681 . 0 0 "[ . 1 . 2]" 1
1110 1 93 TYR QE 1 95 PRO QB 1.800 . 5.000 3.627 2.777 4.868 . 0 0 "[ . 1 . 2]" 1
1111 1 93 TYR QE 1 95 PRO QD 1.800 . 5.000 4.486 3.803 5.012 0.012 5 0 "[ . 1 . 2]" 1
1112 1 93 TYR QE 1 95 PRO QG 1.800 . 5.000 4.500 3.067 5.026 0.026 1 0 "[ . 1 . 2]" 1
1113 1 93 TYR QE 1 97 PRO QG 1.800 . 5.000 3.752 2.689 5.031 0.031 9 0 "[ . 1 . 2]" 1
1114 1 94 ASN QB 1 96 ALA MB 1.800 . 5.000 3.028 2.306 3.262 . 0 0 "[ . 1 . 2]" 1
1115 1 94 ASN QD 1 96 ALA MB 1.800 . 5.000 2.746 2.193 3.981 . 0 0 "[ . 1 . 2]" 1
1116 1 95 PRO QB 1 98 ASP QB 1.800 . 5.000 2.759 2.094 3.371 . 0 0 "[ . 1 . 2]" 1
1117 1 99 LEU MD1 1 103 MET ME 1.800 . 5.000 2.111 1.905 2.321 . 0 0 "[ . 1 . 2]" 1
1118 1 99 LEU MD2 1 102 ALA MB 1.800 . 5.000 3.070 2.454 3.656 . 0 0 "[ . 1 . 2]" 1
1119 1 99 LEU MD2 1 103 MET QB 1.800 . 5.000 3.374 2.779 3.755 . 0 0 "[ . 1 . 2]" 1
1120 1 99 LEU MD2 1 103 MET ME 1.800 . 5.000 3.191 2.522 3.798 . 0 0 "[ . 1 . 2]" 1
1121 1 99 LEU MD2 1 103 MET QG 1.800 . 5.000 4.759 4.017 5.017 0.017 11 0 "[ . 1 . 2]" 1
1122 1 99 LEU HG 1 103 MET ME 1.800 . 5.000 4.391 3.885 4.765 . 0 0 "[ . 1 . 2]" 1
1123 1 100 ALA MB 1 103 MET QB 1.800 . 5.000 3.912 3.478 4.255 . 0 0 "[ . 1 . 2]" 1
1124 1 100 ALA MB 1 103 MET ME 1.800 . 5.000 4.231 3.678 4.872 . 0 0 "[ . 1 . 2]" 1
1125 1 102 ALA MB 1 106 TYR QB 1.800 . 5.000 3.935 2.884 5.023 0.023 8 0 "[ . 1 . 2]" 1
1126 1 102 ALA MB 1 106 TYR QD 1.800 . 5.000 4.433 3.047 5.067 0.067 10 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 120
_Distance_constraint_stats_list.Viol_count 214
_Distance_constraint_stats_list.Viol_total 112.900
_Distance_constraint_stats_list.Viol_max 0.120
_Distance_constraint_stats_list.Viol_rms 0.0105
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0264
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 SER 0.116 0.035 4 0 "[ . 1 . 2]"
1 7 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 0.333 0.070 17 0 "[ . 1 . 2]"
1 9 ALA 0.200 0.040 4 0 "[ . 1 . 2]"
1 10 ILE 0.116 0.035 4 0 "[ . 1 . 2]"
1 11 TYR 0.005 0.005 20 0 "[ . 1 . 2]"
1 12 LYS 0.071 0.070 17 0 "[ . 1 . 2]"
1 13 GLU 0.287 0.048 20 0 "[ . 1 . 2]"
1 14 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 TYR 0.005 0.005 20 0 "[ . 1 . 2]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 HIS 0.453 0.048 20 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLN 0.366 0.034 18 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 0.075 0.026 2 0 "[ . 1 . 2]"
1 26 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.088 0.026 2 0 "[ . 1 . 2]"
1 30 LEU 0.054 0.020 20 0 "[ . 1 . 2]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 MET 0.449 0.059 14 0 "[ . 1 . 2]"
1 34 PHE 0.054 0.020 20 0 "[ . 1 . 2]"
1 35 ASP 0.867 0.109 3 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.435 0.059 14 0 "[ . 1 . 2]"
1 38 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.877 0.109 3 0 "[ . 1 . 2]"
1 42 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.272 0.055 8 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PRO 0.006 0.006 20 0 "[ . 1 . 2]"
1 53 MET 0.026 0.024 20 0 "[ . 1 . 2]"
1 54 GLN 0.471 0.071 10 0 "[ . 1 . 2]"
1 55 LEU 0.475 0.069 11 0 "[ . 1 . 2]"
1 56 LEU 0.057 0.030 17 0 "[ . 1 . 2]"
1 57 GLU 0.026 0.024 20 0 "[ . 1 . 2]"
1 58 VAL 1.905 0.120 13 0 "[ . 1 . 2]"
1 59 ILE 0.475 0.069 11 0 "[ . 1 . 2]"
1 60 ARG 0.052 0.030 17 0 "[ . 1 . 2]"
1 61 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PHE 1.434 0.120 13 0 "[ . 1 . 2]"
1 64 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 MET 0.039 0.021 7 0 "[ . 1 . 2]"
1 69 GLU 0.019 0.015 14 0 "[ . 1 . 2]"
1 70 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ALA 0.076 0.029 11 0 "[ . 1 . 2]"
1 72 ASN 0.065 0.021 7 0 "[ . 1 . 2]"
1 73 LYS 0.019 0.015 14 0 "[ . 1 . 2]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ARG 0.121 0.029 11 0 "[ . 1 . 2]"
1 76 ARG 0.076 0.016 14 0 "[ . 1 . 2]"
1 77 ARG 0.009 0.009 19 0 "[ . 1 . 2]"
1 78 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.045 0.016 16 0 "[ . 1 . 2]"
1 80 GLU 0.050 0.015 5 0 "[ . 1 . 2]"
1 81 VAL 0.009 0.009 19 0 "[ . 1 . 2]"
1 82 PHE 0.009 0.009 16 0 "[ . 1 . 2]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ALA 0.126 0.021 18 0 "[ . 1 . 2]"
1 86 ILE 0.009 0.009 16 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ARG 0.009 0.009 5 0 "[ . 1 . 2]"
1 91 ALA 0.116 0.021 18 0 "[ . 1 . 2]"
1 97 PRO 0.090 0.037 12 0 "[ . 1 . 2]"
1 98 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ALA 0.132 0.033 18 0 "[ . 1 . 2]"
1 101 ASP 0.090 0.037 12 0 "[ . 1 . 2]"
1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LYS 0.132 0.033 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 PHE N 1 45 LEU O 2.600 2.600 3.300 2.774 2.685 2.848 . 0 0 "[ . 1 . 2]" 2
2 1 7 PHE H 1 45 LEU O 1.600 . 2.300 1.819 1.705 1.911 . 0 0 "[ . 1 . 2]" 2
3 1 8 SER N 1 43 GLY O 2.600 2.600 3.300 3.108 2.774 3.270 . 0 0 "[ . 1 . 2]" 2
4 1 8 SER H 1 43 GLY O 1.600 . 2.300 2.255 2.002 2.355 0.055 8 0 "[ . 1 . 2]" 2
5 1 6 SER O 1 10 ILE N 2.600 2.600 3.300 3.206 3.005 3.303 0.003 4 0 "[ . 1 . 2]" 2
6 1 6 SER O 1 10 ILE H 1.600 . 2.300 2.238 2.031 2.335 0.035 4 0 "[ . 1 . 2]" 2
7 1 7 PHE O 1 11 TYR N 2.600 2.600 3.300 2.726 2.657 2.836 . 0 0 "[ . 1 . 2]" 2
8 1 7 PHE O 1 11 TYR H 1.600 . 2.300 1.798 1.712 1.911 . 0 0 "[ . 1 . 2]" 2
9 1 8 SER O 1 12 LYS N 2.600 2.600 3.300 2.942 2.778 3.301 0.001 17 0 "[ . 1 . 2]" 2
10 1 8 SER O 1 12 LYS H 1.600 . 2.300 2.050 1.857 2.370 0.070 17 0 "[ . 1 . 2]" 2
11 1 9 ALA O 1 13 GLU N 2.600 2.600 3.300 3.186 2.927 3.298 . 0 0 "[ . 1 . 2]" 2
12 1 9 ALA O 1 13 GLU H 1.600 . 2.300 2.248 1.987 2.340 0.040 4 0 "[ . 1 . 2]" 2
13 1 10 ILE O 1 14 TRP N 2.600 2.600 3.300 2.809 2.699 3.032 . 0 0 "[ . 1 . 2]" 2
14 1 10 ILE O 1 14 TRP H 1.600 . 2.300 1.841 1.734 2.055 . 0 0 "[ . 1 . 2]" 2
15 1 11 TYR O 1 15 TYR N 2.600 2.600 3.300 2.694 2.595 2.992 0.005 20 0 "[ . 1 . 2]" 2
16 1 11 TYR O 1 15 TYR H 1.600 . 2.300 1.743 1.653 2.060 . 0 0 "[ . 1 . 2]" 2
17 1 12 LYS O 1 16 GLU N 2.600 2.600 3.300 2.856 2.687 3.182 . 0 0 "[ . 1 . 2]" 2
18 1 12 LYS O 1 16 GLU H 1.600 . 2.300 1.900 1.738 2.199 . 0 0 "[ . 1 . 2]" 2
19 1 13 GLU O 1 17 HIS N 2.600 2.600 3.300 3.068 2.853 3.286 . 0 0 "[ . 1 . 2]" 2
20 1 13 GLU O 1 17 HIS H 1.600 . 2.300 2.201 1.960 2.348 0.048 20 0 "[ . 1 . 2]" 2
21 1 14 TRP O 1 18 LYS N 2.600 2.600 3.300 2.862 2.700 3.043 . 0 0 "[ . 1 . 2]" 2
22 1 14 TRP O 1 18 LYS H 1.600 . 2.300 1.902 1.726 2.063 . 0 0 "[ . 1 . 2]" 2
23 1 17 HIS O 1 20 GLN N 2.600 2.600 3.300 3.237 3.127 3.308 0.008 17 0 "[ . 1 . 2]" 2
24 1 17 HIS O 1 20 GLN H 1.600 . 2.300 2.312 2.227 2.334 0.034 18 0 "[ . 1 . 2]" 2
25 1 23 SER O 1 27 ALA N 2.600 2.600 3.300 2.729 2.626 2.859 . 0 0 "[ . 1 . 2]" 2
26 1 23 SER O 1 27 ALA H 1.600 . 2.300 1.772 1.674 1.923 . 0 0 "[ . 1 . 2]" 2
27 1 24 VAL O 1 28 THR N 2.600 2.600 3.300 2.879 2.768 2.939 . 0 0 "[ . 1 . 2]" 2
28 1 24 VAL O 1 28 THR H 1.600 . 2.300 1.948 1.815 2.009 . 0 0 "[ . 1 . 2]" 2
29 1 25 GLY O 1 29 GLU N 2.600 2.600 3.300 3.082 2.829 3.271 . 0 0 "[ . 1 . 2]" 2
30 1 25 GLY O 1 29 GLU H 1.600 . 2.300 2.143 1.882 2.326 0.026 2 0 "[ . 1 . 2]" 2
31 1 26 TYR O 1 30 LEU N 2.600 2.600 3.300 2.804 2.667 2.993 . 0 0 "[ . 1 . 2]" 2
32 1 26 TYR O 1 30 LEU H 1.600 . 2.300 1.855 1.700 2.033 . 0 0 "[ . 1 . 2]" 2
33 1 27 ALA O 1 31 ALA N 2.600 2.600 3.300 2.863 2.775 2.967 . 0 0 "[ . 1 . 2]" 2
34 1 27 ALA O 1 31 ALA H 1.600 . 2.300 1.931 1.826 2.011 . 0 0 "[ . 1 . 2]" 2
35 1 28 THR O 1 32 LYS N 2.600 2.600 3.300 2.835 2.712 3.011 . 0 0 "[ . 1 . 2]" 2
36 1 28 THR O 1 32 LYS H 1.600 . 2.300 1.920 1.799 2.151 . 0 0 "[ . 1 . 2]" 2
37 1 29 GLU O 1 33 MET N 2.600 2.600 3.300 2.963 2.784 3.298 . 0 0 "[ . 1 . 2]" 2
38 1 29 GLU O 1 33 MET H 1.600 . 2.300 2.043 1.828 2.313 0.013 14 0 "[ . 1 . 2]" 2
39 1 30 LEU O 1 34 PHE N 2.600 2.600 3.300 3.039 2.806 3.244 . 0 0 "[ . 1 . 2]" 2
40 1 30 LEU O 1 34 PHE H 1.600 . 2.300 2.112 1.832 2.320 0.020 20 0 "[ . 1 . 2]" 2
41 1 31 ALA O 1 35 ASP N 2.600 2.600 3.300 2.752 2.624 2.892 . 0 0 "[ . 1 . 2]" 2
42 1 31 ALA O 1 35 ASP H 1.600 . 2.300 1.825 1.651 2.022 . 0 0 "[ . 1 . 2]" 2
43 1 32 LYS O 1 36 ASP N 2.600 2.600 3.300 2.790 2.634 3.057 . 0 0 "[ . 1 . 2]" 2
44 1 32 LYS O 1 36 ASP H 1.600 . 2.300 1.831 1.689 2.121 . 0 0 "[ . 1 . 2]" 2
45 1 33 MET O 1 37 ASP N 2.600 2.600 3.300 3.209 3.090 3.298 . 0 0 "[ . 1 . 2]" 2
46 1 33 MET O 1 37 ASP H 1.600 . 2.300 2.317 2.214 2.359 0.059 14 0 "[ . 1 . 2]" 2
47 1 34 PHE O 1 38 ILE N 2.600 2.600 3.300 2.827 2.625 3.014 . 0 0 "[ . 1 . 2]" 2
48 1 34 PHE O 1 38 ILE H 1.600 . 2.300 2.048 1.681 2.296 . 0 0 "[ . 1 . 2]" 2
49 1 35 ASP O 1 39 LEU N 2.600 2.600 3.300 3.142 2.902 3.259 . 0 0 "[ . 1 . 2]" 2
50 1 35 ASP O 1 39 LEU H 1.600 . 2.300 2.316 1.978 2.409 0.109 3 0 "[ . 1 . 2]" 2
51 1 38 ILE O 1 42 ILE N 2.600 2.600 3.300 2.892 2.708 3.038 . 0 0 "[ . 1 . 2]" 2
52 1 38 ILE O 1 42 ILE H 1.600 . 2.300 1.927 1.730 2.065 . 0 0 "[ . 1 . 2]" 2
53 1 39 LEU O 1 43 GLY N 2.600 2.600 3.300 2.859 2.682 3.149 . 0 0 "[ . 1 . 2]" 2
54 1 39 LEU O 1 43 GLY H 1.600 . 2.300 2.097 1.898 2.310 0.010 1 0 "[ . 1 . 2]" 2
55 1 5 ASN O 1 47 ILE N 2.600 2.600 3.300 2.837 2.651 3.214 . 0 0 "[ . 1 . 2]" 2
56 1 5 ASN O 1 47 ILE H 1.600 . 2.300 1.861 1.668 2.244 . 0 0 "[ . 1 . 2]" 2
57 1 46 GLU O 1 49 ASP N 2.600 2.600 3.300 2.801 2.704 2.921 . 0 0 "[ . 1 . 2]" 2
58 1 46 GLU O 1 49 ASP H 1.600 . 2.300 1.895 1.777 2.011 . 0 0 "[ . 1 . 2]" 2
59 1 51 GLU O 1 55 LEU N 2.600 2.600 3.300 2.987 2.749 3.149 . 0 0 "[ . 1 . 2]" 2
60 1 51 GLU O 1 55 LEU H 1.600 . 2.300 2.050 1.795 2.230 . 0 0 "[ . 1 . 2]" 2
61 1 52 PRO O 1 56 LEU N 2.600 2.600 3.300 2.926 2.766 3.193 . 0 0 "[ . 1 . 2]" 2
62 1 52 PRO O 1 56 LEU H 1.600 . 2.300 2.032 1.854 2.306 0.006 20 0 "[ . 1 . 2]" 2
63 1 53 MET O 1 57 GLU N 2.600 2.600 3.300 2.868 2.735 3.107 . 0 0 "[ . 1 . 2]" 2
64 1 53 MET O 1 57 GLU H 1.600 . 2.300 2.126 1.907 2.324 0.024 20 0 "[ . 1 . 2]" 2
65 1 54 GLN O 1 58 VAL N 2.600 2.600 3.300 3.104 2.893 3.250 . 0 0 "[ . 1 . 2]" 2
66 1 54 GLN O 1 58 VAL H 1.600 . 2.300 2.245 2.001 2.371 0.071 10 0 "[ . 1 . 2]" 2
67 1 55 LEU O 1 59 ILE N 2.600 2.600 3.300 3.261 2.981 3.329 0.029 11 0 "[ . 1 . 2]" 2
68 1 55 LEU O 1 59 ILE H 1.600 . 2.300 2.301 2.015 2.369 0.069 11 0 "[ . 1 . 2]" 2
69 1 56 LEU O 1 60 ARG N 2.600 2.600 3.300 2.667 2.570 2.829 0.030 17 0 "[ . 1 . 2]" 2
70 1 56 LEU O 1 60 ARG H 1.600 . 2.300 1.731 1.629 1.889 . 0 0 "[ . 1 . 2]" 2
71 1 57 GLU O 1 61 ARG N 2.600 2.600 3.300 2.751 2.626 2.864 . 0 0 "[ . 1 . 2]" 2
72 1 57 GLU O 1 61 ARG H 1.600 . 2.300 2.004 1.882 2.261 . 0 0 "[ . 1 . 2]" 2
73 1 58 VAL O 1 62 PHE N 2.600 2.600 3.300 3.272 3.176 3.325 0.025 13 0 "[ . 1 . 2]" 2
74 1 58 VAL O 1 62 PHE H 1.600 . 2.300 2.370 2.326 2.420 0.120 13 0 "[ . 1 . 2]" 2
75 1 60 ARG O 1 64 ASP N 2.600 2.600 3.300 2.840 2.659 3.076 . 0 0 "[ . 1 . 2]" 2
76 1 60 ARG O 1 64 ASP H 1.600 . 2.300 1.944 1.689 2.219 . 0 0 "[ . 1 . 2]" 2
77 1 68 MET O 1 72 ASN N 2.600 2.600 3.300 3.099 2.834 3.277 . 0 0 "[ . 1 . 2]" 2
78 1 68 MET O 1 72 ASN H 1.600 . 2.300 2.152 1.902 2.321 0.021 7 0 "[ . 1 . 2]" 2
79 1 69 GLU O 1 73 LYS N 2.600 2.600 3.300 2.861 2.654 3.242 . 0 0 "[ . 1 . 2]" 2
80 1 69 GLU O 1 73 LYS H 1.600 . 2.300 1.974 1.716 2.315 0.015 14 0 "[ . 1 . 2]" 2
81 1 70 ARG O 1 74 ALA N 2.600 2.600 3.300 2.824 2.698 3.005 . 0 0 "[ . 1 . 2]" 2
82 1 70 ARG O 1 74 ALA H 1.600 . 2.300 1.937 1.737 2.287 . 0 0 "[ . 1 . 2]" 2
83 1 71 ALA O 1 75 ARG N 2.600 2.600 3.300 3.115 2.892 3.302 0.002 18 0 "[ . 1 . 2]" 2
84 1 71 ALA O 1 75 ARG H 1.600 . 2.300 2.156 1.919 2.329 0.029 11 0 "[ . 1 . 2]" 2
85 1 72 ASN O 1 76 ARG N 2.600 2.600 3.300 2.948 2.788 3.260 . 0 0 "[ . 1 . 2]" 2
86 1 72 ASN O 1 76 ARG H 1.600 . 2.300 2.002 1.829 2.316 0.016 14 0 "[ . 1 . 2]" 2
87 1 73 LYS O 1 77 ARG N 2.600 2.600 3.300 2.885 2.690 3.118 . 0 0 "[ . 1 . 2]" 2
88 1 73 LYS O 1 77 ARG H 1.600 . 2.300 1.950 1.724 2.225 . 0 0 "[ . 1 . 2]" 2
89 1 74 ALA O 1 78 CYS N 2.600 2.600 3.300 2.834 2.660 3.005 . 0 0 "[ . 1 . 2]" 2
90 1 74 ALA O 1 78 CYS H 1.600 . 2.300 1.879 1.690 2.044 . 0 0 "[ . 1 . 2]" 2
91 1 75 ARG O 1 79 GLY N 2.600 2.600 3.300 2.980 2.741 3.279 . 0 0 "[ . 1 . 2]" 2
92 1 75 ARG O 1 79 GLY H 1.600 . 2.300 2.044 1.794 2.316 0.016 16 0 "[ . 1 . 2]" 2
93 1 76 ARG O 1 80 GLU N 2.600 2.600 3.300 2.998 2.763 3.195 . 0 0 "[ . 1 . 2]" 2
94 1 76 ARG O 1 80 GLU H 1.600 . 2.300 2.166 1.843 2.315 0.015 5 0 "[ . 1 . 2]" 2
95 1 77 ARG O 1 81 VAL N 2.600 2.600 3.300 2.959 2.797 3.218 . 0 0 "[ . 1 . 2]" 2
96 1 77 ARG O 1 81 VAL H 1.600 . 2.300 2.043 1.868 2.309 0.009 19 0 "[ . 1 . 2]" 2
97 1 78 CYS O 1 82 PHE N 2.600 2.600 3.300 2.814 2.747 2.911 . 0 0 "[ . 1 . 2]" 2
98 1 78 CYS O 1 82 PHE H 1.600 . 2.300 1.851 1.772 1.942 . 0 0 "[ . 1 . 2]" 2
99 1 79 GLY O 1 83 ARG N 2.600 2.600 3.300 2.831 2.667 2.955 . 0 0 "[ . 1 . 2]" 2
100 1 79 GLY O 1 83 ARG H 1.600 . 2.300 1.904 1.724 2.009 . 0 0 "[ . 1 . 2]" 2
101 1 80 GLU O 1 84 TYR N 2.600 2.600 3.300 2.757 2.632 3.025 . 0 0 "[ . 1 . 2]" 2
102 1 80 GLU O 1 84 TYR H 1.600 . 2.300 1.829 1.666 2.141 . 0 0 "[ . 1 . 2]" 2
103 1 81 VAL O 1 85 ALA N 2.600 2.600 3.300 2.923 2.802 3.141 . 0 0 "[ . 1 . 2]" 2
104 1 81 VAL O 1 85 ALA H 1.600 . 2.300 2.013 1.881 2.207 . 0 0 "[ . 1 . 2]" 2
105 1 82 PHE O 1 86 ILE N 2.600 2.600 3.300 2.914 2.766 3.103 . 0 0 "[ . 1 . 2]" 2
106 1 82 PHE O 1 86 ILE H 1.600 . 2.300 2.041 1.828 2.309 0.009 16 0 "[ . 1 . 2]" 2
107 1 83 ARG O 1 87 VAL N 2.600 2.600 3.300 2.928 2.823 3.217 . 0 0 "[ . 1 . 2]" 2
108 1 83 ARG O 1 87 VAL H 1.600 . 2.300 1.988 1.865 2.266 . 0 0 "[ . 1 . 2]" 2
109 1 85 ALA O 1 90 ARG N 2.600 2.600 3.300 2.677 2.591 2.792 0.009 5 0 "[ . 1 . 2]" 2
110 1 85 ALA O 1 90 ARG H 1.600 . 2.300 1.761 1.636 1.968 . 0 0 "[ . 1 . 2]" 2
111 1 85 ALA O 1 91 ALA N 2.600 2.600 3.300 3.065 2.928 3.250 . 0 0 "[ . 1 . 2]" 2
112 1 85 ALA O 1 91 ALA H 1.600 . 2.300 2.239 1.955 2.321 0.021 18 0 "[ . 1 . 2]" 2
113 1 97 PRO O 1 101 ASP N 2.600 2.600 3.300 3.058 2.802 3.281 . 0 0 "[ . 1 . 2]" 2
114 1 97 PRO O 1 101 ASP H 1.600 . 2.300 2.160 1.891 2.337 0.037 12 0 "[ . 1 . 2]" 2
115 1 98 ASP O 1 102 ALA N 2.600 2.600 3.300 2.786 2.660 2.982 . 0 0 "[ . 1 . 2]" 2
116 1 98 ASP O 1 102 ALA H 1.600 . 2.300 1.851 1.723 2.110 . 0 0 "[ . 1 . 2]" 2
117 1 99 LEU O 1 103 MET N 2.600 2.600 3.300 2.930 2.758 3.102 . 0 0 "[ . 1 . 2]" 2
118 1 99 LEU O 1 103 MET H 1.600 . 2.300 2.012 1.807 2.188 . 0 0 "[ . 1 . 2]" 2
119 1 100 ALA O 1 104 LYS N 2.600 2.600 3.300 3.040 2.831 3.228 . 0 0 "[ . 1 . 2]" 2
120 1 100 ALA O 1 104 LYS H 1.600 . 2.300 2.189 1.933 2.333 0.033 18 0 "[ . 1 . 2]" 2
stop_
save_
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