NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
512362 |
2lcy   |
17638 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lcy
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 498
_Distance_constraint_stats_list.Viol_count 2103
_Distance_constraint_stats_list.Viol_total 1757.931
_Distance_constraint_stats_list.Viol_max 0.186
_Distance_constraint_stats_list.Viol_rms 0.0230
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.0418
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLN 1.135 0.048 7 0 "[ . 1 . 2]"
1 3 PRO 3.855 0.186 16 0 "[ . 1 . 2]"
1 4 LYS 8.805 0.186 16 0 "[ . 1 . 2]"
1 5 CYS 3.854 0.121 7 0 "[ . 1 . 2]"
1 6 ASN 3.663 0.090 11 0 "[ . 1 . 2]"
1 7 PRO 0.730 0.063 12 0 "[ . 1 . 2]"
1 8 ASN 1.412 0.077 7 0 "[ . 1 . 2]"
1 9 LEU 3.853 0.094 6 0 "[ . 1 . 2]"
1 10 HIS 0.352 0.036 5 0 "[ . 1 . 2]"
1 11 TYR 2.562 0.079 10 0 "[ . 1 . 2]"
1 12 TRP 4.164 0.109 5 0 "[ . 1 . 2]"
1 13 THR 6.899 0.167 5 0 "[ . 1 . 2]"
1 14 THR 1.325 0.097 7 0 "[ . 1 . 2]"
1 15 GLN 10.925 0.167 5 0 "[ . 1 . 2]"
1 16 ASP 5.947 0.117 4 0 "[ . 1 . 2]"
1 17 GLU 6.563 0.144 7 0 "[ . 1 . 2]"
1 18 GLY 2.252 0.077 5 0 "[ . 1 . 2]"
1 19 ALA 8.006 0.140 8 0 "[ . 1 . 2]"
1 20 ALA 6.057 0.114 14 0 "[ . 1 . 2]"
1 21 ILE 4.841 0.076 7 0 "[ . 1 . 2]"
1 22 GLY 0.741 0.063 12 0 "[ . 1 . 2]"
1 23 LEU 2.470 0.107 12 0 "[ . 1 . 2]"
1 24 ALA 1.458 0.086 10 0 "[ . 1 . 2]"
1 25 TRP 5.192 0.093 5 0 "[ . 1 . 2]"
1 26 ILE 3.604 0.133 10 0 "[ . 1 . 2]"
1 28 TYR 1.344 0.116 9 0 "[ . 1 . 2]"
1 29 PHE 0.917 0.081 9 0 "[ . 1 . 2]"
1 30 GLY 0.524 0.116 9 0 "[ . 1 . 2]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 1.286 0.123 20 0 "[ . 1 . 2]"
1 33 ALA 2.960 0.143 1 0 "[ . 1 . 2]"
1 34 GLU 3.551 0.143 1 0 "[ . 1 . 2]"
1 35 GLY 2.336 0.118 9 0 "[ . 1 . 2]"
1 36 ILE 2.083 0.122 10 0 "[ . 1 . 2]"
1 37 TYR 4.991 0.122 10 0 "[ . 1 . 2]"
1 38 ILE 0.811 0.053 20 0 "[ . 1 . 2]"
1 39 GLU 3.459 0.127 1 0 "[ . 1 . 2]"
1 40 GLY 1.049 0.129 7 0 "[ . 1 . 2]"
1 41 LEU 7.068 0.172 17 0 "[ . 1 . 2]"
1 42 MET 5.199 0.172 17 0 "[ . 1 . 2]"
1 43 HIS 1.747 0.130 5 0 "[ . 1 . 2]"
1 44 ASN 4.326 0.164 9 0 "[ . 1 . 2]"
1 45 GLN 4.269 0.129 11 0 "[ . 1 . 2]"
1 46 ASP 3.939 0.129 11 0 "[ . 1 . 2]"
1 47 GLY 1.796 0.101 1 0 "[ . 1 . 2]"
1 48 LEU 1.000 0.059 9 0 "[ . 1 . 2]"
1 49 ILE 0.927 0.097 12 0 "[ . 1 . 2]"
1 50 CYS 2.172 0.101 1 0 "[ . 1 . 2]"
1 51 GLY 1.615 0.082 2 0 "[ . 1 . 2]"
1 52 LEU 5.530 0.114 3 0 "[ . 1 . 2]"
1 53 ARG 1.577 0.081 16 0 "[ . 1 . 2]"
1 54 GLN 3.785 0.094 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA MB 1 2 GLN H 1.800 . 5.500 2.978 1.978 3.720 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 1 2 GLN QG 1.800 . 4.700 3.975 2.268 4.476 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLN H 1 3 PRO HA 1.800 . 4.600 4.531 4.476 4.611 0.011 6 0 "[ . 1 . 2]" 1
4 1 2 GLN HA 1 3 PRO QB 1.800 . 4.500 4.368 4.334 4.436 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLN HA 1 3 PRO HD2 1.800 . 3.700 2.436 2.370 2.518 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLN HA 1 3 PRO HD3 1.800 . 3.700 2.064 1.995 2.156 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLN QB 1 3 PRO HD2 1.800 . 3.700 3.101 2.919 3.280 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLN QB 1 3 PRO HD3 1.800 . 3.700 3.721 3.703 3.743 0.043 15 0 "[ . 1 . 2]" 1
9 1 2 GLN QG 1 3 PRO QD 1.800 . 4.500 4.297 4.121 4.386 . 0 0 "[ . 1 . 2]" 1
10 1 2 GLN QG 1 4 LYS QB 1.800 . 4.400 4.183 3.714 4.416 0.016 7 0 "[ . 1 . 2]" 1
11 1 2 GLN QG 1 5 CYS H 1.800 . 5.200 5.109 4.617 5.234 0.034 5 0 "[ . 1 . 2]" 1
12 1 2 GLN QG 1 48 LEU QD 1.800 . 4.800 4.763 4.521 4.848 0.048 7 0 "[ . 1 . 2]" 1
13 1 2 GLN QG 1 52 LEU HA 1.800 . 5.000 5.011 4.998 5.040 0.040 1 0 "[ . 1 . 2]" 1
14 1 3 PRO HA 1 4 LYS H 1.800 . 2.800 2.196 2.129 2.327 . 0 0 "[ . 1 . 2]" 1
15 1 3 PRO HA 1 4 LYS QB 1.800 . 4.400 4.326 4.091 4.440 0.040 19 0 "[ . 1 . 2]" 1
16 1 3 PRO QB 1 4 LYS H 1.800 . 3.800 3.579 3.018 3.840 0.040 19 0 "[ . 1 . 2]" 1
17 1 3 PRO QG 1 4 LYS H 1.800 . 4.300 4.458 4.360 4.486 0.186 16 0 "[ . 1 . 2]" 1
18 1 4 LYS H 1 4 LYS QB 1.800 . 3.300 2.750 2.480 2.984 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS H 1 4 LYS QD 1.800 . 4.700 4.557 3.861 4.722 0.022 2 0 "[ . 1 . 2]" 1
20 1 4 LYS H 1 4 LYS QE 1.800 . 5.100 4.705 3.889 5.119 0.019 12 0 "[ . 1 . 2]" 1
21 1 4 LYS H 1 4 LYS QG 1.800 . 3.700 3.743 3.704 3.870 0.170 5 0 "[ . 1 . 2]" 1
22 1 4 LYS H 1 7 PRO QD 1.800 . 5.100 5.067 4.899 5.158 0.058 5 0 "[ . 1 . 2]" 1
23 1 4 LYS H 1 52 LEU QD 1.800 . 5.300 5.316 4.627 5.414 0.114 3 0 "[ . 1 . 2]" 1
24 1 4 LYS HA 1 4 LYS QD 1.800 . 4.600 3.581 1.909 4.063 . 0 0 "[ . 1 . 2]" 1
25 1 4 LYS HA 1 5 CYS H 1.800 . 3.390 3.496 3.481 3.511 0.121 7 0 "[ . 1 . 2]" 1
26 1 4 LYS HA 1 6 ASN H 1.800 . 5.000 5.010 4.888 5.076 0.076 19 0 "[ . 1 . 2]" 1
27 1 4 LYS QB 1 5 CYS H 1.800 . 4.100 2.527 2.350 2.743 . 0 0 "[ . 1 . 2]" 1
28 1 4 LYS QD 1 4 LYS QG 1.800 . 3.000 2.030 2.003 2.050 . 0 0 "[ . 1 . 2]" 1
29 1 4 LYS QG 1 5 CYS H 1.800 . 4.800 4.292 4.163 4.424 . 0 0 "[ . 1 . 2]" 1
30 1 5 CYS H 1 5 CYS QB 1.800 . 3.500 3.183 3.105 3.382 . 0 0 "[ . 1 . 2]" 1
31 1 5 CYS H 1 6 ASN H 1.800 . 4.500 2.519 2.454 2.555 . 0 0 "[ . 1 . 2]" 1
32 1 5 CYS H 1 6 ASN HA 1.800 . 5.100 5.143 5.066 5.165 0.065 8 0 "[ . 1 . 2]" 1
33 1 5 CYS H 1 49 ILE HA 1.800 . 4.870 4.024 3.659 4.578 . 0 0 "[ . 1 . 2]" 1
34 1 5 CYS H 1 49 ILE MD 1.800 . 4.800 4.611 3.944 4.817 0.017 5 0 "[ . 1 . 2]" 1
35 1 5 CYS HA 1 6 ASN HA 1.800 . 4.800 4.324 4.294 4.413 . 0 0 "[ . 1 . 2]" 1
36 1 5 CYS HA 1 50 CYS QB 1.800 . 4.010 2.073 1.899 2.252 . 0 0 "[ . 1 . 2]" 1
37 1 5 CYS QB 1 50 CYS H 1.800 . 5.250 5.205 5.091 5.297 0.047 11 0 "[ . 1 . 2]" 1
38 1 5 CYS HB2 1 6 ASN H 1.800 . 4.400 4.424 4.331 4.447 0.047 15 0 "[ . 1 . 2]" 1
39 1 5 CYS HB3 1 6 ASN H 1.800 . 4.400 4.309 4.264 4.388 . 0 0 "[ . 1 . 2]" 1
40 1 6 ASN H 1 6 ASN HB2 1.800 . 4.200 3.089 2.881 3.248 . 0 0 "[ . 1 . 2]" 1
41 1 6 ASN H 1 6 ASN HB3 1.800 . 4.200 2.842 2.531 3.140 . 0 0 "[ . 1 . 2]" 1
42 1 6 ASN H 1 7 PRO QD 1.800 . 4.400 1.894 1.737 2.037 0.063 12 0 "[ . 1 . 2]" 1
43 1 6 ASN H 1 7 PRO QG 1.800 . 4.800 3.846 3.047 4.027 . 0 0 "[ . 1 . 2]" 1
44 1 6 ASN H 1 9 LEU QD 1.800 . 4.800 4.491 3.628 4.744 . 0 0 "[ . 1 . 2]" 1
45 1 6 ASN H 1 49 ILE QG 1.800 . 5.000 3.364 2.168 4.752 . 0 0 "[ . 1 . 2]" 1
46 1 6 ASN H 1 50 CYS H 1.800 . 3.980 3.983 3.775 4.070 0.090 11 0 "[ . 1 . 2]" 1
47 1 6 ASN HA 1 7 PRO QD 1.800 . 3.980 2.755 2.605 3.282 . 0 0 "[ . 1 . 2]" 1
48 1 6 ASN HA 1 7 PRO QG 1.800 . 5.000 4.580 4.391 5.036 0.036 12 0 "[ . 1 . 2]" 1
49 1 6 ASN QD 1 9 LEU QD 1.800 . 4.500 4.493 3.840 4.543 0.043 5 0 "[ . 1 . 2]" 1
50 1 6 ASN QD 1 11 TYR H 1.800 . 4.100 4.045 3.889 4.142 0.042 12 0 "[ . 1 . 2]" 1
51 1 6 ASN HD21 1 11 TYR H 1.800 . 4.700 4.438 4.132 4.648 . 0 0 "[ . 1 . 2]" 1
52 1 6 ASN HD22 1 11 TYR H 1.800 . 4.700 4.688 4.592 4.742 0.042 6 0 "[ . 1 . 2]" 1
53 1 7 PRO HA 1 8 ASN H 1.800 . 3.600 3.439 3.391 3.549 . 0 0 "[ . 1 . 2]" 1
54 1 7 PRO QB 1 8 ASN H 1.800 . 4.500 1.847 1.788 2.267 0.012 1 0 "[ . 1 . 2]" 1
55 1 7 PRO QB 1 48 LEU HG 1.800 . 4.200 3.461 2.956 4.225 0.025 12 0 "[ . 1 . 2]" 1
56 1 7 PRO QD 1 8 ASN H 1.800 . 4.500 3.379 2.296 3.512 . 0 0 "[ . 1 . 2]" 1
57 1 7 PRO QG 1 8 ASN H 1.800 . 3.900 1.838 1.763 2.299 0.037 7 0 "[ . 1 . 2]" 1
58 1 7 PRO QG 1 9 LEU H 1.800 . 4.900 3.066 2.647 4.028 . 0 0 "[ . 1 . 2]" 1
59 1 7 PRO QG 1 50 CYS H 1.800 . 4.300 1.838 1.776 1.929 0.024 1 0 "[ . 1 . 2]" 1
60 1 8 ASN H 1 8 ASN HB2 1.800 . 3.900 3.511 2.125 3.611 . 0 0 "[ . 1 . 2]" 1
61 1 8 ASN H 1 8 ASN HB3 1.800 . 3.900 2.468 2.200 2.935 . 0 0 "[ . 1 . 2]" 1
62 1 8 ASN H 1 8 ASN HD21 1.800 . 5.100 2.795 1.970 3.680 . 0 0 "[ . 1 . 2]" 1
63 1 8 ASN H 1 8 ASN QD 1.800 . 4.300 2.707 1.961 3.606 . 0 0 "[ . 1 . 2]" 1
64 1 8 ASN H 1 8 ASN HD22 1.800 . 5.100 3.811 3.464 5.173 0.073 11 0 "[ . 1 . 2]" 1
65 1 8 ASN H 1 9 LEU H 1.800 . 4.100 2.722 2.614 3.084 . 0 0 "[ . 1 . 2]" 1
66 1 8 ASN H 1 9 LEU QB 1.800 . 4.700 4.628 4.384 4.712 0.012 10 0 "[ . 1 . 2]" 1
67 1 8 ASN H 1 9 LEU QD 1.800 . 5.000 2.620 2.410 2.753 . 0 0 "[ . 1 . 2]" 1
68 1 8 ASN QB 1 9 LEU H 1.800 . 4.200 3.921 3.754 4.019 . 0 0 "[ . 1 . 2]" 1
69 1 8 ASN QB 1 46 ASP H 1.800 . 3.580 3.632 3.611 3.657 0.077 7 0 "[ . 1 . 2]" 1
70 1 8 ASN HB2 1 9 LEU H 1.800 . 4.800 4.483 4.374 4.585 . 0 0 "[ . 1 . 2]" 1
71 1 8 ASN HB3 1 9 LEU H 1.800 . 4.800 4.335 4.070 4.584 . 0 0 "[ . 1 . 2]" 1
72 1 8 ASN QD 1 9 LEU H 1.800 . 4.870 4.239 3.156 4.888 0.018 4 0 "[ . 1 . 2]" 1
73 1 8 ASN QD 1 47 GLY H 1.800 . 3.600 2.362 1.915 3.646 0.046 11 0 "[ . 1 . 2]" 1
74 1 9 LEU H 1 9 LEU QB 1.800 . 3.700 2.475 2.419 2.667 . 0 0 "[ . 1 . 2]" 1
75 1 9 LEU H 1 9 LEU QD 1.800 . 4.300 2.008 1.883 2.422 . 0 0 "[ . 1 . 2]" 1
76 1 9 LEU H 1 10 HIS H 1.800 . 4.400 2.861 1.921 3.104 . 0 0 "[ . 1 . 2]" 1
77 1 9 LEU QB 1 10 HIS H 1.800 . 4.100 3.759 2.966 3.868 . 0 0 "[ . 1 . 2]" 1
78 1 9 LEU QD 1 10 HIS H 1.800 . 4.300 3.743 3.556 3.842 . 0 0 "[ . 1 . 2]" 1
79 1 9 LEU QD 1 11 TYR QD 1.800 . 4.500 4.214 4.137 4.347 . 0 0 "[ . 1 . 2]" 1
80 1 9 LEU QD 1 11 TYR QE 1.800 . 4.000 4.043 4.003 4.060 0.060 13 0 "[ . 1 . 2]" 1
81 1 9 LEU QD 1 12 TRP HE1 1.800 . 4.800 4.836 4.818 4.865 0.065 4 0 "[ . 1 . 2]" 1
82 1 9 LEU QD 1 54 GLN QB 1.800 . 4.900 4.882 4.718 4.926 0.026 13 0 "[ . 1 . 2]" 1
83 1 9 LEU QD 1 54 GLN QG 1.800 . 4.100 4.178 4.155 4.194 0.094 6 0 "[ . 1 . 2]" 1
84 1 10 HIS H 1 10 HIS HD2 1.800 . 5.200 4.992 4.461 5.182 . 0 0 "[ . 1 . 2]" 1
85 1 10 HIS H 1 11 TYR QB 1.800 . 5.130 3.691 3.619 3.863 . 0 0 "[ . 1 . 2]" 1
86 1 10 HIS H 1 11 TYR QD 1.800 . 4.400 2.085 1.935 2.775 . 0 0 "[ . 1 . 2]" 1
87 1 10 HIS H 1 12 TRP H 1.800 . 4.500 3.277 3.035 4.337 . 0 0 "[ . 1 . 2]" 1
88 1 10 HIS HA 1 11 TYR H 1.800 . 3.470 3.483 3.407 3.506 0.036 5 0 "[ . 1 . 2]" 1
89 1 10 HIS HD2 1 13 THR HB 1.800 . 4.500 3.651 2.843 4.307 . 0 0 "[ . 1 . 2]" 1
90 1 11 TYR H 1 11 TYR QD 1.800 . 4.600 2.153 1.987 2.243 . 0 0 "[ . 1 . 2]" 1
91 1 11 TYR H 1 11 TYR QE 1.800 . 4.820 4.504 4.347 4.592 . 0 0 "[ . 1 . 2]" 1
92 1 11 TYR H 1 12 TRP H 1.800 . 4.500 3.030 2.957 3.112 . 0 0 "[ . 1 . 2]" 1
93 1 11 TYR H 1 12 TRP HD1 1.800 . 4.900 4.258 4.087 4.691 . 0 0 "[ . 1 . 2]" 1
94 1 11 TYR HA 1 11 TYR QD 1.800 . 4.200 3.700 3.659 3.711 . 0 0 "[ . 1 . 2]" 1
95 1 11 TYR QB 1 12 TRP H 1.800 . 4.600 3.378 3.275 3.416 . 0 0 "[ . 1 . 2]" 1
96 1 11 TYR QB 1 44 ASN HA 1.800 . 3.900 3.690 3.354 3.910 0.010 11 0 "[ . 1 . 2]" 1
97 1 11 TYR QB 1 45 GLN HA 1.800 . 4.500 4.542 4.509 4.579 0.079 10 0 "[ . 1 . 2]" 1
98 1 11 TYR QE 1 12 TRP H 1.800 . 4.320 3.378 3.340 3.428 . 0 0 "[ . 1 . 2]" 1
99 1 11 TYR QE 1 12 TRP HE3 1.800 . 4.560 3.206 2.806 3.532 . 0 0 "[ . 1 . 2]" 1
100 1 11 TYR QE 1 12 TRP HZ3 1.800 . 4.000 3.932 3.169 4.009 0.009 11 0 "[ . 1 . 2]" 1
101 1 11 TYR QE 1 15 GLN QE 1.800 . 4.200 3.086 2.799 3.566 . 0 0 "[ . 1 . 2]" 1
102 1 12 TRP H 1 12 TRP HD1 1.800 . 5.100 2.531 2.483 3.057 . 0 0 "[ . 1 . 2]" 1
103 1 12 TRP H 1 12 TRP HE3 1.800 . 4.500 4.499 4.064 4.536 0.036 1 0 "[ . 1 . 2]" 1
104 1 12 TRP H 1 13 THR H 1.800 . 4.600 3.875 2.767 4.065 . 0 0 "[ . 1 . 2]" 1
105 1 12 TRP H 1 15 GLN QE 1.800 . 4.900 4.939 4.925 4.989 0.089 7 0 "[ . 1 . 2]" 1
106 1 12 TRP HA 1 14 THR H 1.800 . 4.500 4.518 4.412 4.542 0.042 11 0 "[ . 1 . 2]" 1
107 1 12 TRP HA 1 15 GLN H 1.800 . 4.300 3.973 3.553 4.308 0.008 7 0 "[ . 1 . 2]" 1
108 1 12 TRP QB 1 13 THR H 1.800 . 4.600 3.830 3.565 3.900 . 0 0 "[ . 1 . 2]" 1
109 1 12 TRP HD1 1 13 THR H 1.800 . 5.000 3.932 1.852 4.236 . 0 0 "[ . 1 . 2]" 1
110 1 12 TRP HE1 1 13 THR HB 1.800 . 5.200 5.139 4.224 5.226 0.026 4 0 "[ . 1 . 2]" 1
111 1 12 TRP HE1 1 13 THR MG 1.800 . 4.900 4.967 4.954 5.009 0.109 5 0 "[ . 1 . 2]" 1
112 1 13 THR H 1 13 THR HB 1.800 . 3.920 3.442 2.379 3.572 . 0 0 "[ . 1 . 2]" 1
113 1 13 THR H 1 13 THR MG 1.800 . 4.000 2.300 1.965 2.540 . 0 0 "[ . 1 . 2]" 1
114 1 13 THR HA 1 14 THR H 1.800 . 3.600 3.544 3.540 3.559 . 0 0 "[ . 1 . 2]" 1
115 1 13 THR HB 1 15 GLN H 1.800 . 5.060 5.173 5.119 5.227 0.167 5 0 "[ . 1 . 2]" 1
116 1 13 THR MG 1 14 THR H 1.800 . 3.500 1.794 1.745 1.821 0.055 7 0 "[ . 1 . 2]" 1
117 1 13 THR MG 1 15 GLN QB 1.800 . 3.740 3.815 3.746 3.856 0.116 4 0 "[ . 1 . 2]" 1
118 1 13 THR MG 1 15 GLN QG 1.800 . 4.930 3.905 3.611 4.738 . 0 0 "[ . 1 . 2]" 1
119 1 13 THR MG 1 17 GLU QG 1.800 . 4.500 4.568 4.529 4.644 0.144 7 0 "[ . 1 . 2]" 1
120 1 14 THR H 1 14 THR HB 1.800 . 3.500 3.003 2.740 3.116 . 0 0 "[ . 1 . 2]" 1
121 1 14 THR H 1 14 THR MG 1.800 . 3.800 2.379 2.233 2.658 . 0 0 "[ . 1 . 2]" 1
122 1 14 THR H 1 15 GLN H 1.800 . 3.800 1.830 1.780 1.873 0.020 7 0 "[ . 1 . 2]" 1
123 1 14 THR H 1 15 GLN QB 1.800 . 5.000 3.621 3.566 3.673 . 0 0 "[ . 1 . 2]" 1
124 1 14 THR H 1 15 GLN QG 1.800 . 5.100 3.990 3.751 4.794 . 0 0 "[ . 1 . 2]" 1
125 1 14 THR HA 1 14 THR MG 1.800 . 4.200 3.217 3.158 3.227 . 0 0 "[ . 1 . 2]" 1
126 1 14 THR HB 1 15 GLN H 1.800 . 4.500 4.216 3.502 4.349 . 0 0 "[ . 1 . 2]" 1
127 1 14 THR MG 1 15 GLN H 1.800 . 4.000 2.760 2.110 3.057 . 0 0 "[ . 1 . 2]" 1
128 1 14 THR MG 1 15 GLN QB 1.800 . 4.200 3.060 2.757 3.246 . 0 0 "[ . 1 . 2]" 1
129 1 14 THR MG 1 15 GLN QG 1.800 . 4.400 4.354 4.215 4.430 0.030 18 0 "[ . 1 . 2]" 1
130 1 14 THR MG 1 16 ASP H 1.800 . 4.770 4.633 4.462 4.867 0.097 7 0 "[ . 1 . 2]" 1
131 1 14 THR MG 1 17 GLU QG 1.800 . 5.410 5.180 4.612 5.393 . 0 0 "[ . 1 . 2]" 1
132 1 14 THR MG 1 18 GLY H 1.800 . 4.900 4.529 4.154 4.609 . 0 0 "[ . 1 . 2]" 1
133 1 14 THR MG 1 37 TYR H 1.800 . 4.600 4.611 4.409 4.664 0.064 6 0 "[ . 1 . 2]" 1
134 1 15 GLN H 1 15 GLN HB2 1.800 . 3.700 3.630 3.238 3.684 . 0 0 "[ . 1 . 2]" 1
135 1 15 GLN H 1 15 GLN HB3 1.800 . 3.700 2.461 2.119 2.567 . 0 0 "[ . 1 . 2]" 1
136 1 15 GLN H 1 15 GLN QG 1.800 . 4.470 2.661 2.470 3.530 . 0 0 "[ . 1 . 2]" 1
137 1 15 GLN H 1 16 ASP QB 1.800 . 4.900 4.015 3.929 4.673 . 0 0 "[ . 1 . 2]" 1
138 1 15 GLN H 1 19 ALA MB 1.800 . 3.900 4.022 3.921 4.040 0.140 8 0 "[ . 1 . 2]" 1
139 1 15 GLN HA 1 15 GLN QG 1.800 . 3.800 3.454 3.402 3.502 . 0 0 "[ . 1 . 2]" 1
140 1 15 GLN HA 1 16 ASP H 1.800 . 3.380 3.390 2.207 3.475 0.095 12 0 "[ . 1 . 2]" 1
141 1 15 GLN QB 1 15 GLN QG 1.800 . 2.810 2.009 1.981 2.013 . 0 0 "[ . 1 . 2]" 1
142 1 15 GLN QB 1 16 ASP H 1.800 . 4.470 3.413 3.311 3.641 . 0 0 "[ . 1 . 2]" 1
143 1 15 GLN QB 1 41 LEU QB 1.800 . 4.300 4.292 4.162 4.356 0.056 17 0 "[ . 1 . 2]" 1
144 1 15 GLN HB2 1 44 ASN HA 1.800 . 4.100 2.953 2.839 3.269 . 0 0 "[ . 1 . 2]" 1
145 1 15 GLN HB3 1 44 ASN HA 1.800 . 4.100 4.152 4.107 4.188 0.088 6 0 "[ . 1 . 2]" 1
146 1 15 GLN QE 1 15 GLN QG 1.800 . 3.100 2.059 2.038 2.076 . 0 0 "[ . 1 . 2]" 1
147 1 15 GLN QE 1 19 ALA H 1.800 . 4.990 5.042 5.000 5.065 0.075 4 0 "[ . 1 . 2]" 1
148 1 15 GLN QE 1 19 ALA MB 1.800 . 4.600 3.942 3.864 4.217 . 0 0 "[ . 1 . 2]" 1
149 1 15 GLN HE22 1 15 GLN QG 1.800 . 3.800 3.219 3.212 3.244 . 0 0 "[ . 1 . 2]" 1
150 1 15 GLN QG 1 16 ASP H 1.800 . 3.800 2.176 1.970 3.513 . 0 0 "[ . 1 . 2]" 1
151 1 15 GLN QG 1 19 ALA MB 1.800 . 3.800 3.695 3.555 3.853 0.053 5 0 "[ . 1 . 2]" 1
152 1 15 GLN QG 1 41 LEU QD 1.800 . 4.000 3.731 2.978 4.033 0.033 18 0 "[ . 1 . 2]" 1
153 1 16 ASP H 1 16 ASP QB 1.800 . 3.300 2.292 2.166 3.173 . 0 0 "[ . 1 . 2]" 1
154 1 16 ASP H 1 19 ALA MB 1.800 . 4.000 4.036 2.999 4.117 0.117 4 0 "[ . 1 . 2]" 1
155 1 16 ASP HA 1 17 GLU H 1.800 . 3.100 3.181 3.106 3.201 0.101 4 0 "[ . 1 . 2]" 1
156 1 16 ASP QB 1 17 GLU H 1.800 . 3.600 3.421 3.379 3.544 . 0 0 "[ . 1 . 2]" 1
157 1 16 ASP QB 1 17 GLU QB 1.800 . 4.600 4.518 4.428 4.601 0.001 5 0 "[ . 1 . 2]" 1
158 1 16 ASP QB 1 18 GLY H 1.800 . 4.800 4.822 4.767 4.877 0.077 5 0 "[ . 1 . 2]" 1
159 1 16 ASP QB 1 19 ALA H 1.800 . 5.200 5.229 5.147 5.252 0.052 6 0 "[ . 1 . 2]" 1
160 1 16 ASP QB 1 20 ALA MB 1.800 . 4.200 3.975 3.596 4.206 0.006 2 0 "[ . 1 . 2]" 1
161 1 17 GLU H 1 17 GLU HB2 1.800 . 4.100 3.074 3.040 3.437 . 0 0 "[ . 1 . 2]" 1
162 1 17 GLU H 1 17 GLU QB 1.800 . 3.300 2.961 2.933 3.226 . 0 0 "[ . 1 . 2]" 1
163 1 17 GLU H 1 17 GLU HB3 1.800 . 4.100 3.871 3.840 3.908 . 0 0 "[ . 1 . 2]" 1
164 1 17 GLU H 1 17 GLU QG 1.800 . 3.400 2.551 2.259 2.639 . 0 0 "[ . 1 . 2]" 1
165 1 17 GLU H 1 18 GLY QA 1.800 . 3.700 3.747 3.722 3.774 0.074 5 0 "[ . 1 . 2]" 1
166 1 17 GLU H 1 19 ALA H 1.800 . 4.500 2.708 2.399 2.832 . 0 0 "[ . 1 . 2]" 1
167 1 17 GLU H 1 19 ALA MB 1.800 . 4.400 4.197 4.103 4.266 . 0 0 "[ . 1 . 2]" 1
168 1 17 GLU H 1 21 ILE MD 1.800 . 4.380 3.638 2.711 3.831 . 0 0 "[ . 1 . 2]" 1
169 1 17 GLU H 1 21 ILE QG 1.800 . 4.900 4.374 3.761 4.528 . 0 0 "[ . 1 . 2]" 1
170 1 17 GLU HA 1 17 GLU QG 1.800 . 4.000 2.748 2.668 3.204 . 0 0 "[ . 1 . 2]" 1
171 1 17 GLU HA 1 18 GLY H 1.800 . 3.400 3.432 3.407 3.467 0.067 7 0 "[ . 1 . 2]" 1
172 1 17 GLU QB 1 18 GLY H 1.800 . 3.700 2.977 2.903 3.077 . 0 0 "[ . 1 . 2]" 1
173 1 17 GLU QB 1 18 GLY QA 1.800 . 4.700 3.655 3.588 3.692 . 0 0 "[ . 1 . 2]" 1
174 1 17 GLU QB 1 19 ALA H 1.800 . 4.800 4.716 4.594 4.811 0.011 14 0 "[ . 1 . 2]" 1
175 1 17 GLU QB 1 21 ILE MD 1.800 . 4.300 3.594 3.555 3.636 . 0 0 "[ . 1 . 2]" 1
176 1 17 GLU HB2 1 18 GLY H 1.800 . 4.500 3.045 2.967 3.155 . 0 0 "[ . 1 . 2]" 1
177 1 17 GLU HB3 1 18 GLY H 1.800 . 4.500 4.204 4.120 4.271 . 0 0 "[ . 1 . 2]" 1
178 1 17 GLU QG 1 18 GLY H 1.800 . 4.100 3.480 2.874 3.573 . 0 0 "[ . 1 . 2]" 1
179 1 17 GLU QG 1 19 ALA H 1.800 . 4.900 4.860 4.100 4.946 0.046 2 0 "[ . 1 . 2]" 1
180 1 17 GLU QG 1 20 ALA MB 1.800 . 4.500 4.540 4.520 4.558 0.058 1 0 "[ . 1 . 2]" 1
181 1 17 GLU QG 1 21 ILE MD 1.800 . 3.900 3.948 3.913 3.976 0.076 7 0 "[ . 1 . 2]" 1
182 1 18 GLY H 1 19 ALA H 1.800 . 3.500 1.909 1.838 1.956 . 0 0 "[ . 1 . 2]" 1
183 1 18 GLY H 1 19 ALA MB 1.800 . 4.400 3.857 3.797 3.885 . 0 0 "[ . 1 . 2]" 1
184 1 18 GLY H 1 20 ALA H 1.800 . 4.800 3.512 3.289 3.663 . 0 0 "[ . 1 . 2]" 1
185 1 18 GLY H 1 21 ILE MD 1.800 . 5.100 3.943 3.511 4.079 . 0 0 "[ . 1 . 2]" 1
186 1 18 GLY H 1 21 ILE QG 1.800 . 5.050 3.947 3.734 4.101 . 0 0 "[ . 1 . 2]" 1
187 1 18 GLY QA 1 19 ALA H 1.800 . 3.200 2.824 2.777 2.872 . 0 0 "[ . 1 . 2]" 1
188 1 18 GLY QA 1 19 ALA MB 1.800 . 4.500 3.969 3.913 4.000 . 0 0 "[ . 1 . 2]" 1
189 1 18 GLY QA 1 20 ALA H 1.800 . 4.100 3.522 3.432 3.627 . 0 0 "[ . 1 . 2]" 1
190 1 18 GLY QA 1 21 ILE H 1.800 . 3.900 3.748 3.508 3.909 0.009 20 0 "[ . 1 . 2]" 1
191 1 18 GLY QA 1 21 ILE MD 1.800 . 4.200 4.187 3.972 4.225 0.025 4 0 "[ . 1 . 2]" 1
192 1 18 GLY QA 1 21 ILE QG 1.800 . 3.820 3.084 2.937 3.209 . 0 0 "[ . 1 . 2]" 1
193 1 19 ALA H 1 19 ALA MB 1.800 . 3.000 2.399 2.361 2.442 . 0 0 "[ . 1 . 2]" 1
194 1 19 ALA H 1 20 ALA H 1.800 . 4.220 2.530 2.454 2.612 . 0 0 "[ . 1 . 2]" 1
195 1 19 ALA H 1 20 ALA HA 1.800 . 5.180 4.908 4.838 4.973 . 0 0 "[ . 1 . 2]" 1
196 1 19 ALA H 1 21 ILE MD 1.800 . 5.030 4.348 3.932 4.525 . 0 0 "[ . 1 . 2]" 1
197 1 19 ALA H 1 21 ILE QG 1.800 . 4.280 4.275 3.982 4.321 0.041 6 0 "[ . 1 . 2]" 1
198 1 19 ALA HA 1 20 ALA H 1.800 . 2.900 2.975 2.949 3.014 0.114 14 0 "[ . 1 . 2]" 1
199 1 19 ALA HA 1 22 GLY H 1.800 . 5.000 4.428 4.200 4.932 . 0 0 "[ . 1 . 2]" 1
200 1 20 ALA H 1 20 ALA MB 1.800 . 2.900 2.553 2.504 2.634 . 0 0 "[ . 1 . 2]" 1
201 1 20 ALA H 1 21 ILE H 1.800 . 3.400 1.755 1.744 1.764 0.056 10 0 "[ . 1 . 2]" 1
202 1 20 ALA H 1 21 ILE MD 1.800 . 3.900 3.116 2.938 3.178 . 0 0 "[ . 1 . 2]" 1
203 1 20 ALA H 1 21 ILE QG 1.800 . 4.420 2.757 2.613 2.803 . 0 0 "[ . 1 . 2]" 1
204 1 20 ALA H 1 38 ILE QG 1.800 . 4.600 4.580 4.181 4.644 0.044 20 0 "[ . 1 . 2]" 1
205 1 20 ALA HA 1 21 ILE H 1.800 . 3.400 3.304 3.276 3.329 . 0 0 "[ . 1 . 2]" 1
206 1 20 ALA HA 1 21 ILE MD 1.800 . 4.500 3.843 3.787 3.907 . 0 0 "[ . 1 . 2]" 1
207 1 20 ALA HA 1 21 ILE QG 1.800 . 4.600 4.646 4.625 4.666 0.066 7 0 "[ . 1 . 2]" 1
208 1 20 ALA MB 1 21 ILE H 1.800 . 3.200 3.247 3.232 3.270 0.070 7 0 "[ . 1 . 2]" 1
209 1 20 ALA MB 1 21 ILE MD 1.800 . 3.200 2.032 1.926 2.102 . 0 0 "[ . 1 . 2]" 1
210 1 20 ALA MB 1 25 TRP HH2 1.800 . 4.300 4.314 4.061 4.355 0.055 2 0 "[ . 1 . 2]" 1
211 1 21 ILE H 1 21 ILE HB 1.800 . 3.600 3.584 3.441 3.655 0.055 14 0 "[ . 1 . 2]" 1
212 1 21 ILE H 1 21 ILE MD 1.800 . 3.700 2.954 2.799 3.042 . 0 0 "[ . 1 . 2]" 1
213 1 21 ILE H 1 21 ILE HG12 1.800 . 4.100 2.034 1.911 2.104 . 0 0 "[ . 1 . 2]" 1
214 1 21 ILE H 1 21 ILE QG 1.800 . 3.500 2.025 1.904 2.094 . 0 0 "[ . 1 . 2]" 1
215 1 21 ILE H 1 21 ILE HG13 1.800 . 4.100 3.711 3.590 3.777 . 0 0 "[ . 1 . 2]" 1
216 1 21 ILE H 1 22 GLY H 1.800 . 4.010 1.884 1.774 2.207 0.026 2 0 "[ . 1 . 2]" 1
217 1 21 ILE HA 1 21 ILE MD 1.800 . 4.000 3.194 2.985 3.319 . 0 0 "[ . 1 . 2]" 1
218 1 21 ILE HA 1 21 ILE HG12 1.800 . 3.790 3.516 3.508 3.525 . 0 0 "[ . 1 . 2]" 1
219 1 21 ILE HB 1 21 ILE MD 1.800 . 3.500 3.189 3.174 3.211 . 0 0 "[ . 1 . 2]" 1
220 1 21 ILE HB 1 22 GLY H 1.800 . 4.600 3.114 2.599 3.289 . 0 0 "[ . 1 . 2]" 1
221 1 21 ILE MD 1 22 GLY H 1.800 . 4.300 3.884 3.739 4.017 . 0 0 "[ . 1 . 2]" 1
222 1 21 ILE MD 1 25 TRP HH2 1.800 . 4.500 4.281 4.093 4.515 0.015 6 0 "[ . 1 . 2]" 1
223 1 21 ILE QG 1 22 GLY H 1.800 . 4.600 2.300 2.073 2.501 . 0 0 "[ . 1 . 2]" 1
224 1 21 ILE QG 1 25 TRP HH2 1.800 . 4.550 4.563 4.515 4.584 0.034 7 0 "[ . 1 . 2]" 1
225 1 21 ILE HG12 1 22 GLY H 1.800 . 5.400 2.327 2.094 2.537 . 0 0 "[ . 1 . 2]" 1
226 1 21 ILE HG13 1 22 GLY H 1.800 . 5.400 3.606 3.321 3.842 . 0 0 "[ . 1 . 2]" 1
227 1 22 GLY QA 1 23 LEU H 1.800 . 3.190 2.155 2.107 2.318 . 0 0 "[ . 1 . 2]" 1
228 1 22 GLY QA 1 25 TRP HE1 1.800 . 4.800 4.822 4.516 4.863 0.063 12 0 "[ . 1 . 2]" 1
229 1 23 LEU H 1 23 LEU HB2 1.800 . 4.100 2.666 2.450 3.144 . 0 0 "[ . 1 . 2]" 1
230 1 23 LEU H 1 23 LEU QB 1.800 . 3.400 2.589 2.411 2.998 . 0 0 "[ . 1 . 2]" 1
231 1 23 LEU H 1 23 LEU HB3 1.800 . 4.100 3.561 3.223 3.902 . 0 0 "[ . 1 . 2]" 1
232 1 23 LEU H 1 23 LEU QD 1.800 . 3.500 3.278 2.715 3.563 0.063 5 0 "[ . 1 . 2]" 1
233 1 23 LEU H 1 37 TYR QB 1.800 . 5.010 5.048 4.772 5.117 0.107 12 0 "[ . 1 . 2]" 1
234 1 23 LEU HA 1 24 ALA H 1.800 . 3.210 2.437 2.226 3.003 . 0 0 "[ . 1 . 2]" 1
235 1 23 LEU HA 1 25 TRP HE1 1.800 . 4.300 2.341 2.061 2.433 . 0 0 "[ . 1 . 2]" 1
236 1 23 LEU QB 1 23 LEU QD 1.800 . 3.400 1.919 1.855 1.956 . 0 0 "[ . 1 . 2]" 1
237 1 23 LEU QB 1 24 ALA H 1.800 . 4.300 3.444 1.824 3.933 . 0 0 "[ . 1 . 2]" 1
238 1 23 LEU QB 1 25 TRP HE1 1.800 . 4.200 4.116 3.592 4.264 0.064 18 0 "[ . 1 . 2]" 1
239 1 23 LEU HB2 1 25 TRP HE1 1.800 . 5.000 4.859 4.558 5.082 0.082 15 0 "[ . 1 . 2]" 1
240 1 23 LEU HB3 1 25 TRP HE1 1.800 . 5.000 4.538 3.679 4.996 . 0 0 "[ . 1 . 2]" 1
241 1 23 LEU QD 1 24 ALA H 1.800 . 4.100 3.878 3.210 4.142 0.042 11 0 "[ . 1 . 2]" 1
242 1 23 LEU QD 1 25 TRP HZ2 1.800 . 4.200 3.782 3.530 4.204 0.004 14 0 "[ . 1 . 2]" 1
243 1 23 LEU QD 1 28 TYR QD 1.800 . 4.300 4.218 3.656 4.331 0.031 9 0 "[ . 1 . 2]" 1
244 1 24 ALA H 1 24 ALA MB 1.800 . 3.300 2.510 2.123 3.123 . 0 0 "[ . 1 . 2]" 1
245 1 24 ALA H 1 25 TRP H 1.800 . 4.100 2.038 1.771 2.967 0.029 3 0 "[ . 1 . 2]" 1
246 1 24 ALA H 1 25 TRP HD1 1.800 . 4.600 3.974 3.249 4.611 0.011 20 0 "[ . 1 . 2]" 1
247 1 24 ALA H 1 25 TRP HE1 1.800 . 4.600 3.872 3.491 4.632 0.032 13 0 "[ . 1 . 2]" 1
248 1 24 ALA H 1 26 ILE H 1.800 . 5.180 3.410 2.440 4.404 . 0 0 "[ . 1 . 2]" 1
249 1 24 ALA MB 1 25 TRP H 1.800 . 4.300 2.908 2.472 3.333 . 0 0 "[ . 1 . 2]" 1
250 1 24 ALA MB 1 25 TRP HE3 1.800 . 4.200 4.119 3.704 4.235 0.035 6 0 "[ . 1 . 2]" 1
251 1 24 ALA MB 1 26 ILE H 1.800 . 4.200 4.253 4.194 4.286 0.086 10 0 "[ . 1 . 2]" 1
252 1 25 TRP H 1 26 ILE H 1.800 . 3.800 2.518 2.418 2.626 . 0 0 "[ . 1 . 2]" 1
253 1 25 TRP H 1 26 ILE MG 1.800 . 4.800 3.391 2.974 3.670 . 0 0 "[ . 1 . 2]" 1
254 1 25 TRP QB 1 26 ILE H 1.800 . 4.300 3.637 3.436 3.917 . 0 0 "[ . 1 . 2]" 1
255 1 25 TRP HB2 1 25 TRP HE1 1.800 . 5.200 4.851 4.806 4.884 . 0 0 "[ . 1 . 2]" 1
256 1 25 TRP HB3 1 25 TRP HE1 1.800 . 5.200 5.263 5.251 5.272 0.072 15 0 "[ . 1 . 2]" 1
257 1 25 TRP HE1 1 26 ILE MD 1.800 . 4.700 4.517 3.306 4.782 0.082 2 0 "[ . 1 . 2]" 1
258 1 25 TRP HE1 1 26 ILE MG 1.800 . 3.600 3.454 2.748 3.693 0.093 5 0 "[ . 1 . 2]" 1
259 1 26 ILE H 1 26 ILE MD 1.800 . 4.300 3.094 1.796 4.433 0.133 10 0 "[ . 1 . 2]" 1
260 1 26 ILE H 1 26 ILE HG12 1.800 . 4.800 3.860 2.646 4.527 . 0 0 "[ . 1 . 2]" 1
261 1 26 ILE H 1 26 ILE QG 1.800 . 4.200 3.557 2.593 3.992 . 0 0 "[ . 1 . 2]" 1
262 1 26 ILE H 1 26 ILE HG13 1.800 . 4.800 4.211 3.724 4.690 . 0 0 "[ . 1 . 2]" 1
263 1 26 ILE H 1 26 ILE MG 1.800 . 4.200 2.222 1.876 2.978 . 0 0 "[ . 1 . 2]" 1
264 1 26 ILE QG 1 29 PHE QE 1.800 . 4.400 3.454 1.975 4.439 0.039 2 0 "[ . 1 . 2]" 1
265 1 26 ILE MG 1 29 PHE QE 1.800 . 4.100 3.841 2.920 4.181 0.081 9 0 "[ . 1 . 2]" 1
266 1 28 TYR H 1 28 TYR QB 1.800 . 3.870 2.677 2.207 3.391 . 0 0 "[ . 1 . 2]" 1
267 1 28 TYR H 1 28 TYR QD 1.800 . 4.200 3.814 2.634 4.278 0.078 8 0 "[ . 1 . 2]" 1
268 1 28 TYR HA 1 28 TYR QD 1.800 . 4.100 2.768 1.936 3.745 . 0 0 "[ . 1 . 2]" 1
269 1 28 TYR QB 1 30 GLY H 1.800 . 4.520 4.399 3.952 4.636 0.116 9 0 "[ . 1 . 2]" 1
270 1 28 TYR QD 1 29 PHE QD 1.800 . 3.960 2.634 2.015 3.728 . 0 0 "[ . 1 . 2]" 1
271 1 28 TYR QE 1 29 PHE QD 1.800 . 4.160 3.383 2.411 4.194 0.034 19 0 "[ . 1 . 2]" 1
272 1 28 TYR QE 1 29 PHE QE 1.800 . 4.000 3.507 1.972 4.059 0.059 20 0 "[ . 1 . 2]" 1
273 1 29 PHE H 1 30 GLY H 1.800 . 3.260 2.325 1.969 2.838 . 0 0 "[ . 1 . 2]" 1
274 1 29 PHE QB 1 33 ALA MB 1.800 . 4.600 3.186 2.113 4.603 0.003 20 0 "[ . 1 . 2]" 1
275 1 29 PHE HZ 1 33 ALA MB 1.800 . 4.700 4.494 3.883 4.752 0.052 14 0 "[ . 1 . 2]" 1
276 1 30 GLY H 1 31 PRO QD 1.800 . 4.500 3.576 2.353 4.171 . 0 0 "[ . 1 . 2]" 1
277 1 30 GLY H 1 32 ALA MB 1.800 . 4.680 4.291 3.857 4.623 . 0 0 "[ . 1 . 2]" 1
278 1 30 GLY QA 1 32 ALA H 1.800 . 4.690 3.503 3.380 3.572 . 0 0 "[ . 1 . 2]" 1
279 1 31 PRO QB 1 32 ALA H 1.800 . 4.700 3.539 3.023 3.692 . 0 0 "[ . 1 . 2]" 1
280 1 31 PRO QD 1 32 ALA H 1.800 . 4.400 2.816 2.469 3.266 . 0 0 "[ . 1 . 2]" 1
281 1 31 PRO QG 1 32 ALA H 1.800 . 4.200 3.476 2.915 4.170 . 0 0 "[ . 1 . 2]" 1
282 1 32 ALA H 1 32 ALA MB 1.800 . 3.400 2.176 2.045 2.303 . 0 0 "[ . 1 . 2]" 1
283 1 32 ALA H 1 33 ALA H 1.800 . 3.600 2.403 2.116 2.755 . 0 0 "[ . 1 . 2]" 1
284 1 32 ALA H 1 34 GLU H 1.800 . 3.750 3.731 3.535 3.821 0.071 9 0 "[ . 1 . 2]" 1
285 1 32 ALA H 1 34 GLU QB 1.800 . 4.500 4.535 4.403 4.623 0.123 20 0 "[ . 1 . 2]" 1
286 1 33 ALA H 1 33 ALA MB 1.800 . 3.200 2.177 2.082 2.324 . 0 0 "[ . 1 . 2]" 1
287 1 33 ALA H 1 34 GLU QB 1.800 . 4.880 4.031 3.753 4.514 . 0 0 "[ . 1 . 2]" 1
288 1 33 ALA H 1 34 GLU QG 1.800 . 4.400 4.398 4.269 4.435 0.035 6 0 "[ . 1 . 2]" 1
289 1 33 ALA H 1 36 ILE MD 1.800 . 4.200 4.036 3.882 4.205 0.005 1 0 "[ . 1 . 2]" 1
290 1 33 ALA H 1 39 GLU QB 1.800 . 4.300 4.302 3.925 4.380 0.080 1 0 "[ . 1 . 2]" 1
291 1 33 ALA MB 1 34 GLU H 1.800 . 4.000 2.893 2.263 3.201 . 0 0 "[ . 1 . 2]" 1
292 1 33 ALA MB 1 34 GLU QB 1.800 . 4.400 4.483 4.418 4.543 0.143 1 0 "[ . 1 . 2]" 1
293 1 33 ALA MB 1 35 GLY H 1.800 . 4.500 4.091 2.516 4.539 0.039 8 0 "[ . 1 . 2]" 1
294 1 34 GLU H 1 34 GLU QB 1.800 . 3.800 2.265 1.978 2.790 . 0 0 "[ . 1 . 2]" 1
295 1 34 GLU H 1 34 GLU QG 1.800 . 4.100 2.923 2.596 3.391 . 0 0 "[ . 1 . 2]" 1
296 1 34 GLU H 1 36 ILE MD 1.800 . 4.600 3.922 3.404 4.274 . 0 0 "[ . 1 . 2]" 1
297 1 34 GLU H 1 39 GLU QB 1.800 . 4.200 2.965 2.501 3.385 . 0 0 "[ . 1 . 2]" 1
298 1 34 GLU HA 1 36 ILE MD 1.800 . 5.320 4.822 4.171 5.369 0.049 20 0 "[ . 1 . 2]" 1
299 1 34 GLU QB 1 35 GLY H 1.800 . 4.000 3.759 3.553 4.060 0.060 20 0 "[ . 1 . 2]" 1
300 1 34 GLU QG 1 35 GLY H 1.800 . 4.300 4.062 3.603 4.366 0.066 19 0 "[ . 1 . 2]" 1
301 1 35 GLY H 1 36 ILE H 1.800 . 3.700 2.244 1.869 2.542 . 0 0 "[ . 1 . 2]" 1
302 1 35 GLY H 1 36 ILE MD 1.800 . 4.600 4.355 3.330 4.634 0.034 12 0 "[ . 1 . 2]" 1
303 1 35 GLY QA 1 37 TYR H 1.800 . 4.100 4.193 4.144 4.218 0.118 9 0 "[ . 1 . 2]" 1
304 1 36 ILE H 1 36 ILE HB 1.800 . 3.800 2.751 2.628 3.464 . 0 0 "[ . 1 . 2]" 1
305 1 36 ILE H 1 36 ILE MD 1.800 . 3.700 2.980 2.101 3.287 . 0 0 "[ . 1 . 2]" 1
306 1 36 ILE H 1 36 ILE QG 1.800 . 3.900 2.318 1.960 2.634 . 0 0 "[ . 1 . 2]" 1
307 1 36 ILE H 1 36 ILE MG 1.800 . 4.300 3.828 3.467 3.858 . 0 0 "[ . 1 . 2]" 1
308 1 36 ILE H 1 37 TYR H 1.800 . 4.300 2.160 2.131 2.316 . 0 0 "[ . 1 . 2]" 1
309 1 36 ILE H 1 37 TYR QD 1.800 . 4.050 3.903 3.767 4.064 0.014 2 0 "[ . 1 . 2]" 1
310 1 36 ILE HA 1 36 ILE MD 1.800 . 4.400 3.865 2.939 3.996 . 0 0 "[ . 1 . 2]" 1
311 1 36 ILE HB 1 37 TYR H 1.800 . 4.300 2.813 2.565 3.492 . 0 0 "[ . 1 . 2]" 1
312 1 36 ILE MD 1 37 TYR H 1.800 . 3.900 3.959 3.770 4.022 0.122 10 0 "[ . 1 . 2]" 1
313 1 36 ILE QG 1 37 TYR H 1.800 . 4.300 3.889 2.760 4.172 . 0 0 "[ . 1 . 2]" 1
314 1 36 ILE QG 1 39 GLU QG 1.800 . 4.500 4.504 4.006 4.572 0.072 8 0 "[ . 1 . 2]" 1
315 1 37 TYR H 1 37 TYR QB 1.800 . 3.860 3.480 3.373 3.514 . 0 0 "[ . 1 . 2]" 1
316 1 37 TYR H 1 37 TYR QD 1.800 . 4.000 2.383 2.239 2.480 . 0 0 "[ . 1 . 2]" 1
317 1 37 TYR H 1 37 TYR QE 1.800 . 5.300 4.122 3.892 4.187 . 0 0 "[ . 1 . 2]" 1
318 1 37 TYR H 1 38 ILE QG 1.800 . 5.330 5.328 5.205 5.383 0.053 20 0 "[ . 1 . 2]" 1
319 1 37 TYR H 1 39 GLU QB 1.800 . 4.900 4.566 4.318 4.922 0.022 1 0 "[ . 1 . 2]" 1
320 1 37 TYR H 1 39 GLU QG 1.800 . 4.300 2.472 2.172 2.853 . 0 0 "[ . 1 . 2]" 1
321 1 37 TYR HA 1 37 TYR QD 1.800 . 4.300 3.590 3.565 3.617 . 0 0 "[ . 1 . 2]" 1
322 1 37 TYR QB 1 38 ILE H 1.800 . 4.600 1.876 1.818 1.978 . 0 0 "[ . 1 . 2]" 1
323 1 37 TYR QD 1 38 ILE H 1.800 . 4.900 1.948 1.844 2.026 . 0 0 "[ . 1 . 2]" 1
324 1 37 TYR QD 1 38 ILE MD 1.800 . 3.700 2.679 2.423 2.988 . 0 0 "[ . 1 . 2]" 1
325 1 37 TYR QD 1 38 ILE QG 1.800 . 4.400 3.783 3.611 4.031 . 0 0 "[ . 1 . 2]" 1
326 1 37 TYR QD 1 39 GLU QG 1.800 . 4.400 3.288 2.814 3.800 . 0 0 "[ . 1 . 2]" 1
327 1 37 TYR QE 1 38 ILE H 1.800 . 4.400 3.995 3.931 4.127 . 0 0 "[ . 1 . 2]" 1
328 1 37 TYR QE 1 38 ILE MD 1.800 . 3.500 3.275 2.976 3.524 0.024 14 0 "[ . 1 . 2]" 1
329 1 38 ILE H 1 38 ILE HB 1.800 . 4.000 2.740 2.545 2.880 . 0 0 "[ . 1 . 2]" 1
330 1 38 ILE H 1 38 ILE HG12 1.800 . 4.600 3.539 3.449 3.724 . 0 0 "[ . 1 . 2]" 1
331 1 38 ILE H 1 38 ILE QG 1.800 . 3.700 2.152 1.944 2.558 . 0 0 "[ . 1 . 2]" 1
332 1 38 ILE H 1 38 ILE HG13 1.800 . 4.600 2.173 1.953 2.606 . 0 0 "[ . 1 . 2]" 1
333 1 38 ILE H 1 39 GLU QG 1.800 . 4.800 3.655 3.369 4.009 . 0 0 "[ . 1 . 2]" 1
334 1 38 ILE HA 1 38 ILE MD 1.800 . 4.400 3.717 3.542 3.824 . 0 0 "[ . 1 . 2]" 1
335 1 38 ILE MD 1 39 GLU H 1.800 . 4.130 3.195 2.744 3.457 . 0 0 "[ . 1 . 2]" 1
336 1 39 GLU H 1 39 GLU QB 1.800 . 3.700 3.457 3.403 3.507 . 0 0 "[ . 1 . 2]" 1
337 1 39 GLU H 1 39 GLU QG 1.800 . 4.590 2.698 2.435 3.069 . 0 0 "[ . 1 . 2]" 1
338 1 39 GLU H 1 41 LEU QD 1.800 . 4.200 4.258 4.157 4.327 0.127 1 0 "[ . 1 . 2]" 1
339 1 39 GLU HA 1 39 GLU QG 1.800 . 4.100 2.750 2.608 3.154 . 0 0 "[ . 1 . 2]" 1
340 1 39 GLU HA 1 41 LEU QD 1.800 . 5.040 4.607 4.335 5.122 0.082 4 0 "[ . 1 . 2]" 1
341 1 39 GLU QB 1 40 GLY H 1.800 . 4.000 2.466 1.786 3.856 0.014 13 0 "[ . 1 . 2]" 1
342 1 39 GLU QB 1 40 GLY QA 1.800 . 4.600 3.799 3.493 4.279 . 0 0 "[ . 1 . 2]" 1
343 1 39 GLU QB 1 41 LEU QB 1.800 . 3.410 3.446 3.370 3.492 0.082 2 0 "[ . 1 . 2]" 1
344 1 39 GLU QB 1 41 LEU QD 1.800 . 4.300 2.494 1.868 3.700 . 0 0 "[ . 1 . 2]" 1
345 1 39 GLU QG 1 40 GLY H 1.800 . 4.500 4.078 3.682 4.425 . 0 0 "[ . 1 . 2]" 1
346 1 39 GLU QG 1 41 LEU QD 1.800 . 3.900 3.163 2.108 3.821 . 0 0 "[ . 1 . 2]" 1
347 1 40 GLY H 1 41 LEU H 1.800 . 4.100 3.274 2.415 3.904 . 0 0 "[ . 1 . 2]" 1
348 1 40 GLY H 1 41 LEU QD 1.800 . 4.400 4.206 3.550 4.432 0.032 2 0 "[ . 1 . 2]" 1
349 1 40 GLY H 1 41 LEU HG 1.800 . 4.700 4.439 3.871 4.783 0.083 13 0 "[ . 1 . 2]" 1
350 1 40 GLY QA 1 41 LEU H 1.800 . 3.310 2.546 2.257 2.899 . 0 0 "[ . 1 . 2]" 1
351 1 40 GLY QA 1 41 LEU QB 1.800 . 4.800 4.418 4.208 4.669 . 0 0 "[ . 1 . 2]" 1
352 1 40 GLY QA 1 42 MET H 1.800 . 5.000 4.139 3.233 5.129 0.129 7 0 "[ . 1 . 2]" 1
353 1 41 LEU H 1 41 LEU QB 1.800 . 3.900 2.805 2.141 3.152 . 0 0 "[ . 1 . 2]" 1
354 1 41 LEU H 1 41 LEU QD 1.800 . 3.800 3.070 2.537 3.676 . 0 0 "[ . 1 . 2]" 1
355 1 41 LEU H 1 41 LEU HG 1.800 . 3.800 2.491 1.787 3.323 0.013 1 0 "[ . 1 . 2]" 1
356 1 41 LEU HA 1 42 MET ME 1.800 . 4.200 3.047 2.450 3.601 . 0 0 "[ . 1 . 2]" 1
357 1 41 LEU HA 1 43 HIS H 1.800 . 4.200 3.401 3.259 3.594 . 0 0 "[ . 1 . 2]" 1
358 1 41 LEU HA 1 44 ASN H 1.800 . 4.700 4.724 4.692 4.756 0.056 2 0 "[ . 1 . 2]" 1
359 1 41 LEU QB 1 42 MET H 1.800 . 4.400 3.497 2.714 4.049 . 0 0 "[ . 1 . 2]" 1
360 1 41 LEU QD 1 42 MET H 1.800 . 4.300 3.049 1.846 3.739 . 0 0 "[ . 1 . 2]" 1
361 1 41 LEU QD 1 42 MET ME 1.800 . 4.100 4.148 4.119 4.198 0.098 7 0 "[ . 1 . 2]" 1
362 1 41 LEU QD 1 42 MET HG2 1.800 . 5.000 4.972 4.663 5.078 0.078 20 0 "[ . 1 . 2]" 1
363 1 41 LEU QD 1 42 MET QG 1.800 . 4.300 3.770 3.474 3.901 . 0 0 "[ . 1 . 2]" 1
364 1 41 LEU QD 1 42 MET HG3 1.800 . 5.000 3.905 3.585 4.054 . 0 0 "[ . 1 . 2]" 1
365 1 41 LEU QD 1 43 HIS H 1.800 . 3.140 3.147 2.778 3.270 0.130 5 0 "[ . 1 . 2]" 1
366 1 41 LEU QD 1 44 ASN HD21 1.800 . 4.200 3.593 2.415 4.220 0.020 8 0 "[ . 1 . 2]" 1
367 1 41 LEU QD 1 44 ASN HD22 1.800 . 4.200 4.067 3.275 4.245 0.045 16 0 "[ . 1 . 2]" 1
368 1 41 LEU HG 1 42 MET H 1.800 . 4.300 3.732 1.932 4.472 0.172 17 0 "[ . 1 . 2]" 1
369 1 42 MET H 1 42 MET QB 1.800 . 3.800 2.882 2.599 3.482 . 0 0 "[ . 1 . 2]" 1
370 1 42 MET H 1 42 MET HG2 1.800 . 4.500 3.980 3.495 4.520 0.020 13 0 "[ . 1 . 2]" 1
371 1 42 MET H 1 42 MET QG 1.800 . 4.000 2.532 1.961 3.181 . 0 0 "[ . 1 . 2]" 1
372 1 42 MET H 1 42 MET HG3 1.800 . 4.500 2.566 1.971 3.250 . 0 0 "[ . 1 . 2]" 1
373 1 42 MET H 1 43 HIS HE1 1.800 . 4.600 4.543 3.951 4.666 0.066 12 0 "[ . 1 . 2]" 1
374 1 42 MET QB 1 43 HIS H 1.800 . 4.200 3.500 2.925 3.834 . 0 0 "[ . 1 . 2]" 1
375 1 42 MET QB 1 44 ASN H 1.800 . 4.700 4.797 4.723 4.864 0.164 9 0 "[ . 1 . 2]" 1
376 1 42 MET QB 1 44 ASN QD 1.800 . 4.800 4.452 4.154 4.714 . 0 0 "[ . 1 . 2]" 1
377 1 42 MET ME 1 43 HIS H 1.800 . 4.500 4.021 3.002 4.513 0.013 10 0 "[ . 1 . 2]" 1
378 1 42 MET ME 1 43 HIS HD2 1.800 . 4.500 4.432 3.824 4.522 0.022 19 0 "[ . 1 . 2]" 1
379 1 43 HIS H 1 43 HIS HB2 1.800 . 4.200 3.002 2.679 3.566 . 0 0 "[ . 1 . 2]" 1
380 1 43 HIS H 1 43 HIS QB 1.800 . 3.700 2.787 2.614 2.968 . 0 0 "[ . 1 . 2]" 1
381 1 43 HIS H 1 43 HIS HB3 1.800 . 4.200 3.563 3.050 3.798 . 0 0 "[ . 1 . 2]" 1
382 1 43 HIS H 1 43 HIS HD2 1.800 . 5.100 3.929 3.420 4.422 . 0 0 "[ . 1 . 2]" 1
383 1 43 HIS H 1 43 HIS HE1 1.800 . 5.090 4.539 3.682 5.121 0.031 19 0 "[ . 1 . 2]" 1
384 1 43 HIS H 1 44 ASN H 1.800 . 4.100 2.074 1.813 2.335 . 0 0 "[ . 1 . 2]" 1
385 1 43 HIS H 1 44 ASN HA 1.800 . 4.530 4.321 4.049 4.580 0.050 7 0 "[ . 1 . 2]" 1
386 1 43 HIS H 1 45 GLN QG 1.800 . 4.900 4.633 4.419 4.918 0.018 8 0 "[ . 1 . 2]" 1
387 1 43 HIS QB 1 44 ASN H 1.800 . 4.200 3.239 2.861 3.664 . 0 0 "[ . 1 . 2]" 1
388 1 43 HIS HB2 1 44 ASN H 1.800 . 4.800 3.359 2.924 3.936 . 0 0 "[ . 1 . 2]" 1
389 1 43 HIS HB3 1 44 ASN H 1.800 . 4.800 4.291 4.068 4.367 . 0 0 "[ . 1 . 2]" 1
390 1 44 ASN H 1 44 ASN QB 1.800 . 3.700 3.351 3.188 3.501 . 0 0 "[ . 1 . 2]" 1
391 1 44 ASN H 1 44 ASN QD 1.800 . 5.100 2.671 2.074 3.353 . 0 0 "[ . 1 . 2]" 1
392 1 44 ASN H 1 45 GLN H 1.800 . 4.200 3.153 2.794 3.677 . 0 0 "[ . 1 . 2]" 1
393 1 44 ASN H 1 45 GLN QG 1.800 . 4.600 3.696 3.522 3.810 . 0 0 "[ . 1 . 2]" 1
394 1 44 ASN HA 1 45 GLN H 1.800 . 3.500 3.483 3.330 3.565 0.065 5 0 "[ . 1 . 2]" 1
395 1 44 ASN HA 1 45 GLN QG 1.800 . 3.900 3.432 3.278 3.682 . 0 0 "[ . 1 . 2]" 1
396 1 44 ASN QB 1 44 ASN HD22 1.800 . 3.700 3.414 3.286 3.489 . 0 0 "[ . 1 . 2]" 1
397 1 44 ASN QB 1 45 GLN H 1.800 . 4.300 2.918 2.410 3.362 . 0 0 "[ . 1 . 2]" 1
398 1 45 GLN H 1 45 GLN HB2 1.800 . 4.200 3.735 3.649 3.774 . 0 0 "[ . 1 . 2]" 1
399 1 45 GLN H 1 45 GLN QB 1.800 . 3.500 3.453 3.405 3.491 . 0 0 "[ . 1 . 2]" 1
400 1 45 GLN H 1 45 GLN HB3 1.800 . 4.200 4.064 4.003 4.155 . 0 0 "[ . 1 . 2]" 1
401 1 45 GLN H 1 45 GLN QG 1.800 . 4.000 2.901 2.686 3.137 . 0 0 "[ . 1 . 2]" 1
402 1 45 GLN H 1 46 ASP H 1.800 . 3.700 3.774 3.747 3.829 0.129 11 0 "[ . 1 . 2]" 1
403 1 45 GLN HA 1 45 GLN QG 1.800 . 4.000 2.481 2.430 2.563 . 0 0 "[ . 1 . 2]" 1
404 1 45 GLN HA 1 46 ASP H 1.800 . 3.600 2.075 2.056 2.115 . 0 0 "[ . 1 . 2]" 1
405 1 45 GLN HA 1 47 GLY H 1.800 . 4.300 4.295 3.772 4.336 0.036 9 0 "[ . 1 . 2]" 1
406 1 45 GLN QB 1 45 GLN QE 1.800 . 4.300 3.024 2.311 3.460 . 0 0 "[ . 1 . 2]" 1
407 1 45 GLN QB 1 46 ASP H 1.800 . 3.700 3.170 3.049 3.246 . 0 0 "[ . 1 . 2]" 1
408 1 45 GLN HB2 1 46 ASP H 1.800 . 4.300 4.095 4.025 4.171 . 0 0 "[ . 1 . 2]" 1
409 1 45 GLN HB3 1 46 ASP H 1.800 . 4.300 3.301 3.157 3.388 . 0 0 "[ . 1 . 2]" 1
410 1 45 GLN QE 1 49 ILE MD 1.800 . 4.400 3.010 1.880 4.336 . 0 0 "[ . 1 . 2]" 1
411 1 45 GLN HE21 1 49 ILE MD 1.800 . 5.100 3.260 1.934 5.112 0.012 7 0 "[ . 1 . 2]" 1
412 1 45 GLN HE22 1 49 ILE MD 1.800 . 5.100 3.759 2.562 4.959 . 0 0 "[ . 1 . 2]" 1
413 1 45 GLN QG 1 46 ASP H 1.800 . 4.200 4.256 4.198 4.277 0.077 10 0 "[ . 1 . 2]" 1
414 1 45 GLN QG 1 49 ILE MD 1.800 . 4.300 3.405 2.978 3.793 . 0 0 "[ . 1 . 2]" 1
415 1 46 ASP H 1 46 ASP QB 1.800 . 3.400 2.872 2.712 3.261 . 0 0 "[ . 1 . 2]" 1
416 1 46 ASP H 1 47 GLY QA 1.800 . 4.500 4.200 3.949 4.261 . 0 0 "[ . 1 . 2]" 1
417 1 46 ASP H 1 48 LEU HG 1.800 . 4.900 2.129 1.949 3.704 . 0 0 "[ . 1 . 2]" 1
418 1 46 ASP H 1 49 ILE MD 1.800 . 4.300 4.261 4.087 4.397 0.097 12 0 "[ . 1 . 2]" 1
419 1 46 ASP HA 1 47 GLY H 1.800 . 3.600 2.611 2.565 2.926 . 0 0 "[ . 1 . 2]" 1
420 1 46 ASP QB 1 47 GLY H 1.800 . 4.000 3.965 3.800 4.012 0.012 9 0 "[ . 1 . 2]" 1
421 1 47 GLY H 1 48 LEU QB 1.800 . 5.000 4.758 3.919 5.018 0.018 18 0 "[ . 1 . 2]" 1
422 1 47 GLY H 1 48 LEU QD 1.800 . 4.300 3.917 2.786 4.307 0.007 5 0 "[ . 1 . 2]" 1
423 1 47 GLY H 1 48 LEU HG 1.800 . 5.000 3.794 3.592 4.719 . 0 0 "[ . 1 . 2]" 1
424 1 47 GLY H 1 50 CYS HB2 1.800 . 5.200 5.080 4.944 5.246 0.046 8 0 "[ . 1 . 2]" 1
425 1 47 GLY H 1 50 CYS QB 1.800 . 4.500 4.545 4.502 4.601 0.101 1 0 "[ . 1 . 2]" 1
426 1 47 GLY H 1 50 CYS HB3 1.800 . 5.200 5.139 4.945 5.228 0.028 13 0 "[ . 1 . 2]" 1
427 1 48 LEU H 1 48 LEU QB 1.800 . 4.000 2.601 2.362 2.694 . 0 0 "[ . 1 . 2]" 1
428 1 48 LEU H 1 48 LEU QD 1.800 . 4.200 2.965 2.531 3.149 . 0 0 "[ . 1 . 2]" 1
429 1 48 LEU H 1 48 LEU HG 1.800 . 3.900 2.560 2.000 3.903 0.003 12 0 "[ . 1 . 2]" 1
430 1 48 LEU H 1 49 ILE QG 1.800 . 5.340 3.566 3.278 4.382 . 0 0 "[ . 1 . 2]" 1
431 1 48 LEU HA 1 48 LEU QD 1.800 . 3.800 2.173 1.958 2.371 . 0 0 "[ . 1 . 2]" 1
432 1 48 LEU QB 1 49 ILE H 1.800 . 4.300 2.835 2.393 3.032 . 0 0 "[ . 1 . 2]" 1
433 1 48 LEU QB 1 49 ILE QG 1.800 . 3.590 3.122 2.516 3.640 0.050 2 0 "[ . 1 . 2]" 1
434 1 48 LEU QB 1 49 ILE MG 1.800 . 4.800 4.210 3.532 4.859 0.059 9 0 "[ . 1 . 2]" 1
435 1 48 LEU QD 1 54 GLN QB 1.800 . 3.770 3.775 3.690 3.792 0.022 18 0 "[ . 1 . 2]" 1
436 1 49 ILE H 1 49 ILE HB 1.800 . 4.000 3.100 2.648 3.492 . 0 0 "[ . 1 . 2]" 1
437 1 49 ILE H 1 49 ILE MD 1.800 . 3.800 2.468 1.900 3.141 . 0 0 "[ . 1 . 2]" 1
438 1 49 ILE H 1 49 ILE QG 1.800 . 4.000 2.205 1.906 2.643 . 0 0 "[ . 1 . 2]" 1
439 1 49 ILE H 1 49 ILE MG 1.800 . 4.500 3.662 3.437 3.870 . 0 0 "[ . 1 . 2]" 1
440 1 49 ILE H 1 50 CYS QB 1.800 . 5.150 3.871 3.789 4.117 . 0 0 "[ . 1 . 2]" 1
441 1 49 ILE H 1 51 GLY H 1.800 . 4.100 3.906 3.204 4.120 0.020 14 0 "[ . 1 . 2]" 1
442 1 49 ILE HB 1 49 ILE MD 1.800 . 3.600 2.624 1.989 3.222 . 0 0 "[ . 1 . 2]" 1
443 1 49 ILE MD 1 50 CYS H 1.800 . 4.000 3.793 3.497 4.023 0.023 14 0 "[ . 1 . 2]" 1
444 1 49 ILE QG 1 50 CYS H 1.800 . 4.600 3.392 2.523 4.319 . 0 0 "[ . 1 . 2]" 1
445 1 50 CYS QB 1 51 GLY H 1.800 . 4.200 3.306 2.018 3.801 . 0 0 "[ . 1 . 2]" 1
446 1 50 CYS QB 1 51 GLY QA 1.800 . 4.190 3.888 3.461 4.113 . 0 0 "[ . 1 . 2]" 1
447 1 50 CYS QB 1 54 GLN QG 1.800 . 4.200 2.977 1.874 3.601 . 0 0 "[ . 1 . 2]" 1
448 1 50 CYS HB2 1 51 GLY H 1.800 . 4.800 4.144 3.366 4.510 . 0 0 "[ . 1 . 2]" 1
449 1 50 CYS HB3 1 51 GLY H 1.800 . 4.800 3.511 2.034 4.119 . 0 0 "[ . 1 . 2]" 1
450 1 51 GLY H 1 52 LEU H 1.800 . 3.900 3.659 2.112 3.966 0.066 8 0 "[ . 1 . 2]" 1
451 1 51 GLY H 1 52 LEU QB 1.800 . 5.500 5.486 5.022 5.582 0.082 2 0 "[ . 1 . 2]" 1
452 1 51 GLY H 1 52 LEU QD 1.800 . 4.400 3.859 3.483 4.197 . 0 0 "[ . 1 . 2]" 1
453 1 51 GLY QA 1 52 LEU H 1.800 . 3.520 2.201 2.064 2.849 . 0 0 "[ . 1 . 2]" 1
454 1 51 GLY QA 1 52 LEU QD 1.800 . 4.520 2.729 2.185 3.183 . 0 0 "[ . 1 . 2]" 1
455 1 51 GLY QA 1 52 LEU HG 1.800 . 4.260 3.349 2.837 4.272 0.012 1 0 "[ . 1 . 2]" 1
456 1 52 LEU H 1 52 LEU QB 1.800 . 3.400 3.076 2.449 3.417 0.017 9 0 "[ . 1 . 2]" 1
457 1 52 LEU H 1 52 LEU QD 1.800 . 3.600 2.989 1.816 3.391 . 0 0 "[ . 1 . 2]" 1
458 1 52 LEU H 1 52 LEU HG 1.800 . 3.800 2.652 1.782 3.250 0.018 8 0 "[ . 1 . 2]" 1
459 1 52 LEU H 1 53 ARG H 1.800 . 3.810 2.072 1.778 2.659 0.022 5 0 "[ . 1 . 2]" 1
460 1 52 LEU H 1 53 ARG HG2 1.800 . 4.500 4.197 2.990 4.541 0.041 9 0 "[ . 1 . 2]" 1
461 1 52 LEU H 1 53 ARG HG3 1.800 . 4.500 3.932 3.412 4.533 0.033 9 0 "[ . 1 . 2]" 1
462 1 52 LEU H 1 54 GLN QG 1.800 . 4.200 3.543 3.202 4.243 0.043 1 0 "[ . 1 . 2]" 1
463 1 52 LEU HA 1 52 LEU QD 1.800 . 3.600 2.752 2.428 3.146 . 0 0 "[ . 1 . 2]" 1
464 1 52 LEU QB 1 52 LEU QD 1.800 . 3.600 1.849 1.788 1.917 0.012 9 0 "[ . 1 . 2]" 1
465 1 52 LEU QB 1 53 ARG H 1.800 . 3.600 3.040 2.653 3.641 0.041 15 0 "[ . 1 . 2]" 1
466 1 52 LEU QB 1 54 GLN HE21 1.800 . 5.300 4.649 4.567 4.895 . 0 0 "[ . 1 . 2]" 1
467 1 52 LEU QB 1 54 GLN QE 1.800 . 4.600 4.372 4.324 4.505 . 0 0 "[ . 1 . 2]" 1
468 1 52 LEU QB 1 54 GLN HE22 1.800 . 5.300 5.326 5.265 5.365 0.065 1 0 "[ . 1 . 2]" 1
469 1 52 LEU QD 1 53 ARG H 1.800 . 4.100 3.778 3.439 4.100 0.000 9 0 "[ . 1 . 2]" 1
470 1 52 LEU QD 1 53 ARG QD 1.800 . 4.500 4.429 4.054 4.522 0.022 8 0 "[ . 1 . 2]" 1
471 1 52 LEU QD 1 53 ARG QG 1.800 . 3.300 3.252 3.029 3.381 0.081 16 0 "[ . 1 . 2]" 1
472 1 52 LEU QD 1 54 GLN H 1.800 . 5.300 5.269 4.761 5.364 0.064 18 0 "[ . 1 . 2]" 1
473 1 52 LEU QD 1 54 GLN HE21 1.800 . 5.100 4.532 4.122 4.698 . 0 0 "[ . 1 . 2]" 1
474 1 52 LEU QD 1 54 GLN QE 1.800 . 4.300 4.138 3.711 4.317 0.017 8 0 "[ . 1 . 2]" 1
475 1 52 LEU QD 1 54 GLN HE22 1.800 . 5.100 4.793 4.212 5.101 0.001 8 0 "[ . 1 . 2]" 1
476 1 52 LEU QD 1 54 GLN QG 1.800 . 5.260 5.164 4.776 5.294 0.034 6 0 "[ . 1 . 2]" 1
477 1 53 ARG H 1 53 ARG QD 1.800 . 5.000 4.232 3.917 4.535 . 0 0 "[ . 1 . 2]" 1
478 1 53 ARG H 1 53 ARG QG 1.800 . 3.700 2.221 1.941 2.524 . 0 0 "[ . 1 . 2]" 1
479 1 53 ARG H 1 54 GLN H 1.800 . 3.600 2.369 1.761 2.682 0.039 9 0 "[ . 1 . 2]" 1
480 1 53 ARG H 1 54 GLN QB 1.800 . 4.900 4.531 3.902 4.855 . 0 0 "[ . 1 . 2]" 1
481 1 53 ARG HA 1 53 ARG QD 1.800 . 4.400 4.242 3.189 4.409 0.009 17 0 "[ . 1 . 2]" 1
482 1 53 ARG HA 1 53 ARG QG 1.800 . 3.730 3.260 2.915 3.314 . 0 0 "[ . 1 . 2]" 1
483 1 53 ARG HA 1 54 GLN H 1.800 . 3.200 2.886 2.713 3.101 . 0 0 "[ . 1 . 2]" 1
484 1 53 ARG HA 1 54 GLN QB 1.800 . 5.340 4.799 4.572 5.273 . 0 0 "[ . 1 . 2]" 1
485 1 53 ARG QB 1 53 ARG QD 1.800 . 4.000 2.051 1.951 2.196 . 0 0 "[ . 1 . 2]" 1
486 1 53 ARG QB 1 54 GLN H 1.800 . 3.990 3.972 3.768 4.015 0.025 5 0 "[ . 1 . 2]" 1
487 1 53 ARG QD 1 53 ARG QH 1.800 . 4.500 1.997 1.906 2.157 . 0 0 "[ . 1 . 2]" 1
488 1 53 ARG QD 1 54 GLN H 1.800 . 5.500 5.477 5.175 5.550 0.050 16 0 "[ . 1 . 2]" 1
489 1 53 ARG QG 1 54 GLN H 1.800 . 4.100 3.819 3.478 4.138 0.038 1 0 "[ . 1 . 2]" 1
490 1 54 GLN H 1 54 GLN HB2 1.800 . 3.800 2.523 2.113 2.702 . 0 0 "[ . 1 . 2]" 1
491 1 54 GLN H 1 54 GLN QB 1.800 . 3.100 2.476 2.094 2.632 . 0 0 "[ . 1 . 2]" 1
492 1 54 GLN H 1 54 GLN HB3 1.800 . 3.800 3.602 3.424 3.639 . 0 0 "[ . 1 . 2]" 1
493 1 54 GLN H 1 54 GLN QE 1.800 . 4.740 2.044 1.969 2.228 . 0 0 "[ . 1 . 2]" 1
494 1 54 GLN H 1 54 GLN QG 1.800 . 3.800 2.498 2.170 3.586 . 0 0 "[ . 1 . 2]" 1
495 1 54 GLN HA 1 54 GLN QE 1.800 . 5.100 2.684 2.405 3.080 . 0 0 "[ . 1 . 2]" 1
496 1 54 GLN HA 1 54 GLN QG 1.800 . 4.000 3.092 2.731 3.216 . 0 0 "[ . 1 . 2]" 1
497 1 54 GLN QB 1 54 GLN QE 1.800 . 3.800 3.232 2.319 3.431 . 0 0 "[ . 1 . 2]" 1
498 1 54 GLN QE 1 54 GLN QG 1.800 . 3.100 2.231 2.129 2.520 . 0 0 "[ . 1 . 2]" 1
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