NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
439886 |
2k7d   |
15623 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k7d
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 493
_Distance_constraint_stats_list.Viol_count 342
_Distance_constraint_stats_list.Viol_total 404.512
_Distance_constraint_stats_list.Viol_max 0.618
_Distance_constraint_stats_list.Viol_rms 0.0241
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0789
_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 5 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 6 VAL 0.105 0.096 5 0 "[ . 1 .]"
1 7 LYS 3.418 0.295 13 0 "[ . 1 .]"
1 8 GLU 0.006 0.006 7 0 "[ . 1 .]"
1 9 LEU 4.856 0.618 10 1 "[ . + .]"
1 10 ARG 0.150 0.085 10 0 "[ . 1 .]"
1 11 ASP 0.445 0.075 12 0 "[ . 1 .]"
1 12 ALA 0.333 0.055 7 0 "[ . 1 .]"
1 13 PHE 3.409 0.228 7 0 "[ . 1 .]"
1 14 ARG 0.738 0.075 12 0 "[ . 1 .]"
1 15 GLU 0.288 0.055 7 0 "[ . 1 .]"
1 16 PHE 0.070 0.021 4 0 "[ . 1 .]"
1 17 ASP 0.070 0.021 4 0 "[ . 1 .]"
1 18 THR 1.806 0.243 3 0 "[ . 1 .]"
1 19 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 20 GLY 0.113 0.063 11 0 "[ . 1 .]"
1 21 ASP 0.237 0.063 11 0 "[ . 1 .]"
1 22 GLY 0.067 0.039 10 0 "[ . 1 .]"
1 23 GLU 0.300 0.070 7 0 "[ . 1 .]"
1 24 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 25 SER 0.000 0.000 . 0 "[ . 1 .]"
1 26 THR 0.115 0.032 13 0 "[ . 1 .]"
1 27 SER 0.000 0.000 . 0 "[ . 1 .]"
1 28 GLU 0.660 0.107 9 0 "[ . 1 .]"
1 29 LEU 2.205 0.244 1 0 "[ . 1 .]"
1 30 ARG 0.904 0.076 8 0 "[ . 1 .]"
1 31 GLU 2.244 0.139 12 0 "[ . 1 .]"
1 32 ALA 0.532 0.123 8 0 "[ . 1 .]"
1 33 MET 2.401 0.244 1 0 "[ . 1 .]"
1 34 ARG 1.104 0.139 12 0 "[ . 1 .]"
1 35 LYS 0.998 0.206 9 0 "[ . 1 .]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 37 LEU 0.467 0.206 9 0 "[ . 1 .]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 40 GLN 0.022 0.022 8 0 "[ . 1 .]"
1 41 VAL 0.022 0.022 8 0 "[ . 1 .]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 46 ILE 0.615 0.099 12 0 "[ . 1 .]"
1 47 GLU 0.073 0.041 2 0 "[ . 1 .]"
1 48 GLU 0.255 0.073 13 0 "[ . 1 .]"
1 49 ILE 0.596 0.099 12 0 "[ . 1 .]"
1 50 ILE 2.548 0.146 13 0 "[ . 1 .]"
1 51 ARG 0.168 0.073 13 0 "[ . 1 .]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 53 VAL 0.590 0.131 2 0 "[ . 1 .]"
1 54 ASP 0.283 0.100 4 0 "[ . 1 .]"
1 55 LEU 0.263 0.068 2 0 "[ . 1 .]"
1 56 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 57 GLY 0.113 0.113 8 0 "[ . 1 .]"
1 58 ASP 0.113 0.113 8 0 "[ . 1 .]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 60 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 62 ASP 0.093 0.054 6 0 "[ . 1 .]"
1 63 PHE 6.025 0.295 13 0 "[ . 1 .]"
1 64 GLU 0.358 0.063 6 0 "[ . 1 .]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 66 PHE 3.946 0.228 7 0 "[ . 1 .]"
1 67 VAL 2.936 0.618 10 1 "[ . + .]"
1 68 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 69 MET 0.041 0.024 3 0 "[ . 1 .]"
1 70 MET 0.458 0.094 11 0 "[ . 1 .]"
1 71 SER 0.004 0.004 12 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 VAL HA 1 9 LEU QB 0.000 . 3.900 3.057 2.750 3.254 . 0 0 "[ . 1 .]" 1
2 1 17 ASP HA 1 24 ILE HA 0.000 . 5.000 4.446 3.584 4.846 . 0 0 "[ . 1 .]" 1
3 1 24 ILE HA 1 28 GLU QB 0.000 . 6.000 2.792 2.403 3.237 . 0 0 "[ . 1 .]" 1
4 1 24 ILE HB 1 61 VAL HB 0.000 . 3.900 2.437 2.182 3.331 . 0 0 "[ . 1 .]" 1
5 1 24 ILE HB 1 61 VAL MG1 0.000 . 4.800 3.687 2.819 4.758 . 0 0 "[ . 1 .]" 1
6 1 24 ILE QG 1 61 VAL HB 0.000 . 7.500 4.075 3.580 4.551 . 0 0 "[ . 1 .]" 1
7 1 16 PHE QB 1 24 ILE QG 0.000 . 5.800 2.245 2.103 2.639 . 0 0 "[ . 1 .]" 1
8 1 13 PHE HA 1 24 ILE QG 0.000 . 6.500 4.215 4.015 4.404 . 0 0 "[ . 1 .]" 1
9 1 13 PHE QE 1 24 ILE QG 0.000 . 6.800 3.301 2.791 3.804 . 0 0 "[ . 1 .]" 1
10 1 13 PHE HZ 1 24 ILE QG 0.000 . 6.500 3.873 3.653 4.207 . 0 0 "[ . 1 .]" 1
11 1 16 PHE QD 1 24 ILE QG 0.000 . 8.500 2.390 2.130 3.093 . 0 0 "[ . 1 .]" 1
12 1 24 ILE MD 1 66 PHE QD 0.000 . 6.400 3.299 1.995 3.880 . 0 0 "[ . 1 .]" 1
13 1 24 ILE MD 1 66 PHE QE 0.000 . 6.400 3.692 2.075 4.569 . 0 0 "[ . 1 .]" 1
14 1 13 PHE QD 1 24 ILE MD 0.000 . 6.400 2.726 2.137 3.192 . 0 0 "[ . 1 .]" 1
15 1 13 PHE QE 1 24 ILE MD 0.000 . 6.400 2.313 2.108 2.717 . 0 0 "[ . 1 .]" 1
16 1 13 PHE HZ 1 24 ILE MD 0.000 . 5.000 3.892 3.406 4.085 . 0 0 "[ . 1 .]" 1
17 1 17 ASP HA 1 24 ILE MD 0.000 . 6.500 5.324 5.043 5.445 . 0 0 "[ . 1 .]" 1
18 1 24 ILE MD 1 66 PHE HA 0.000 . 6.500 4.619 4.194 5.032 . 0 0 "[ . 1 .]" 1
19 1 9 LEU MD1 1 67 VAL MG2 0.000 . 6.300 2.189 1.825 2.558 . 0 0 "[ . 1 .]" 1
20 1 9 LEU QB 1 67 VAL MG2 0.000 . 5.800 2.395 1.957 3.143 . 0 0 "[ . 1 .]" 1
21 1 9 LEU QB 1 67 VAL MG1 0.000 . 7.500 3.852 3.016 4.876 . 0 0 "[ . 1 .]" 1
22 1 9 LEU QD 1 67 VAL MG1 0.000 . 6.800 3.114 1.916 3.755 . 0 0 "[ . 1 .]" 1
23 1 9 LEU MD1 1 66 PHE QE 0.000 . 6.800 2.360 1.916 3.448 . 0 0 "[ . 1 .]" 1
24 1 9 LEU MD1 1 66 PHE QD 0.000 . 8.500 2.707 2.140 4.130 . 0 0 "[ . 1 .]" 1
25 1 9 LEU MD1 1 67 VAL HA 0.000 . 4.800 2.350 1.886 2.868 . 0 0 "[ . 1 .]" 1
26 1 9 LEU QB 1 63 PHE QE 0.000 . 6.300 2.237 2.131 2.455 . 0 0 "[ . 1 .]" 1
27 1 9 LEU HA 1 66 PHE QE 0.000 . 5.300 3.708 2.852 4.050 . 0 0 "[ . 1 .]" 1
28 1 9 LEU HA 1 66 PHE HZ 0.000 . 5.300 4.348 2.899 4.958 . 0 0 "[ . 1 .]" 1
29 1 9 LEU MD2 1 67 VAL MG2 0.000 . 6.300 3.673 3.409 4.086 . 0 0 "[ . 1 .]" 1
30 1 9 LEU MD2 1 67 VAL MG1 0.000 . 6.300 3.931 3.203 4.821 . 0 0 "[ . 1 .]" 1
31 1 9 LEU MD2 1 67 VAL HA 0.000 . 4.800 3.764 3.410 4.127 . 0 0 "[ . 1 .]" 1
32 1 9 LEU MD2 1 67 VAL HB 0.000 . 5.800 5.880 5.577 6.418 0.618 10 1 "[ . + .]" 1
33 1 10 ARG QG 1 63 PHE QE 0.000 . 6.300 3.420 2.876 4.634 . 0 0 "[ . 1 .]" 1
34 1 16 PHE HA 1 32 ALA MB 0.000 . 4.800 3.061 2.498 3.457 . 0 0 "[ . 1 .]" 1
35 1 16 PHE HA 1 24 ILE MG 0.000 . 6.500 4.536 4.213 4.943 . 0 0 "[ . 1 .]" 1
36 1 16 PHE QB 1 24 ILE MD 0.000 . 5.400 2.472 2.121 2.807 . 0 0 "[ . 1 .]" 1
37 1 16 PHE QB 1 24 ILE MG 0.000 . 5.800 3.642 3.410 3.904 . 0 0 "[ . 1 .]" 1
38 1 17 ASP HA 1 24 ILE QG 0.000 . 4.800 3.872 3.506 4.036 . 0 0 "[ . 1 .]" 1
39 1 17 ASP HA 1 24 ILE MG 0.000 . 6.500 4.201 3.456 4.967 . 0 0 "[ . 1 .]" 1
40 1 17 ASP QB 1 24 ILE MD 0.000 . 7.500 4.684 3.478 5.434 . 0 0 "[ . 1 .]" 1
41 1 17 ASP QB 1 24 ILE QG 0.000 . 7.500 3.534 2.164 4.392 . 0 0 "[ . 1 .]" 1
42 1 13 PHE QE 1 23 GLU HA 0.000 . 7.000 3.425 2.978 3.824 . 0 0 "[ . 1 .]" 1
43 1 13 PHE HZ 1 23 GLU HA 0.000 . 2.900 2.560 2.270 2.970 0.070 7 0 "[ . 1 .]" 1
44 1 23 GLU HA 1 62 ASP HA 0.000 . 3.300 2.943 2.525 3.354 0.054 6 0 "[ . 1 .]" 1
45 1 24 ILE MG 1 29 LEU HA 0.000 . 6.500 2.374 2.175 2.634 . 0 0 "[ . 1 .]" 1
46 1 13 PHE HZ 1 24 ILE H 0.000 . 5.000 3.568 3.291 3.889 . 0 0 "[ . 1 .]" 1
47 1 24 ILE H 1 61 VAL HB 0.000 . 6.000 3.418 2.999 4.096 . 0 0 "[ . 1 .]" 1
48 1 26 THR HA 1 50 ILE MG 0.000 . 6.500 3.836 3.374 4.492 . 0 0 "[ . 1 .]" 1
49 1 30 ARG H 1 46 ILE MD 0.000 . 4.800 3.413 2.395 3.926 . 0 0 "[ . 1 .]" 1
50 1 30 ARG H 1 46 ILE MG 0.000 . 6.500 3.811 2.306 5.110 . 0 0 "[ . 1 .]" 1
51 1 30 ARG HA 1 46 ILE HB 0.000 . 6.000 4.636 3.056 6.032 0.032 8 0 "[ . 1 .]" 1
52 1 30 ARG HA 1 46 ILE MD 0.000 . 4.400 2.506 1.908 3.265 . 0 0 "[ . 1 .]" 1
53 1 30 ARG HA 1 46 ILE MG 0.000 . 4.800 3.086 2.501 3.791 . 0 0 "[ . 1 .]" 1
54 1 30 ARG QB 1 46 ILE MD 0.000 . 7.500 3.051 2.530 4.008 . 0 0 "[ . 1 .]" 1
55 1 30 ARG QD 1 46 ILE MG 0.000 . 7.500 4.039 3.143 5.069 . 0 0 "[ . 1 .]" 1
56 1 33 MET QG 1 46 ILE MD 0.000 . 7.500 3.668 2.157 5.086 . 0 0 "[ . 1 .]" 1
57 1 33 MET QB 1 46 ILE MG 0.000 . 5.800 3.313 2.192 4.176 . 0 0 "[ . 1 .]" 1
58 1 33 MET QB 1 46 ILE MD 0.000 . 5.800 3.073 2.030 4.068 . 0 0 "[ . 1 .]" 1
59 1 16 PHE QD 1 33 MET ME 0.000 . 8.500 6.200 5.757 6.455 . 0 0 "[ . 1 .]" 1
60 1 16 PHE QE 1 33 MET ME 0.000 . 8.500 4.471 3.973 4.709 . 0 0 "[ . 1 .]" 1
61 1 53 VAL MG1 1 69 MET ME 0.000 . 6.300 3.696 2.773 4.302 . 0 0 "[ . 1 .]" 1
62 1 33 MET ME 1 49 ILE MG 0.000 . 5.900 2.918 2.072 3.727 . 0 0 "[ . 1 .]" 1
63 1 33 MET ME 1 49 ILE QG 0.000 . 5.900 3.773 2.313 4.395 . 0 0 "[ . 1 .]" 1
64 1 29 LEU HA 1 50 ILE QG 0.000 . 6.500 5.453 4.928 5.916 . 0 0 "[ . 1 .]" 1
65 1 29 LEU HA 1 50 ILE MD 0.000 . 4.800 4.106 3.994 4.229 . 0 0 "[ . 1 .]" 1
66 1 55 LEU H 1 65 GLU QG 0.000 . 7.000 3.371 1.746 5.049 . 0 0 "[ . 1 .]" 1
67 1 50 ILE MD 1 60 ARG QG 0.000 . 5.000 3.594 3.387 3.751 . 0 0 "[ . 1 .]" 1
68 1 24 ILE HB 1 61 VAL H 0.000 . 5.000 3.570 3.244 3.958 . 0 0 "[ . 1 .]" 1
69 1 53 VAL QG 1 61 VAL HA 0.000 . 7.400 3.196 2.648 4.544 . 0 0 "[ . 1 .]" 1
70 1 24 ILE MD 1 61 VAL HB 0.000 . 7.500 2.835 2.383 3.464 . 0 0 "[ . 1 .]" 1
71 1 61 VAL MG2 1 66 PHE QB 0.000 . 5.800 4.435 4.104 5.034 . 0 0 "[ . 1 .]" 1
72 1 24 ILE MD 1 61 VAL MG2 0.000 . 6.300 3.714 3.175 4.184 . 0 0 "[ . 1 .]" 1
73 1 23 GLU QG 1 62 ASP HA 0.000 . 6.000 3.759 2.357 5.073 . 0 0 "[ . 1 .]" 1
74 1 13 PHE QE 1 62 ASP HA 0.000 . 7.000 3.448 3.125 3.663 . 0 0 "[ . 1 .]" 1
75 1 13 PHE HZ 1 62 ASP HA 0.000 . 3.300 2.243 2.181 2.380 . 0 0 "[ . 1 .]" 1
76 1 61 VAL MG2 1 66 PHE H 0.000 . 6.500 5.255 4.614 5.715 . 0 0 "[ . 1 .]" 1
77 1 61 VAL MG2 1 66 PHE HA 0.000 . 4.800 4.390 3.877 4.767 . 0 0 "[ . 1 .]" 1
78 1 61 VAL MG2 1 66 PHE QD 0.000 . 6.400 4.791 4.267 5.396 . 0 0 "[ . 1 .]" 1
79 1 16 PHE QB 1 32 ALA MB 0.000 . 5.800 4.193 3.829 4.401 . 0 0 "[ . 1 .]" 1
80 1 10 ARG HA 1 63 PHE QD 0.000 . 7.000 3.354 3.076 3.744 . 0 0 "[ . 1 .]" 1
81 1 10 ARG HA 1 63 PHE QE 0.000 . 5.300 2.157 2.127 2.191 . 0 0 "[ . 1 .]" 1
82 1 12 ALA MB 1 66 PHE HZ 0.000 . 3.900 1.971 1.916 2.105 . 0 0 "[ . 1 .]" 1
83 1 12 ALA MB 1 66 PHE QE 0.000 . 5.900 2.521 2.100 2.824 . 0 0 "[ . 1 .]" 1
84 1 53 VAL HA 1 69 MET ME 0.000 . 6.000 4.149 3.071 5.041 . 0 0 "[ . 1 .]" 1
85 1 53 VAL MG2 1 65 GLU HA 0.000 . 6.500 3.935 3.141 5.287 . 0 0 "[ . 1 .]" 1
86 1 53 VAL MG2 1 66 PHE HA 0.000 . 6.500 3.948 3.087 5.056 . 0 0 "[ . 1 .]" 1
87 1 53 VAL MG2 1 61 VAL HB 0.000 . 7.500 5.214 4.775 5.753 . 0 0 "[ . 1 .]" 1
88 1 53 VAL MG2 1 65 GLU QB 0.000 . 5.800 2.535 2.021 3.901 . 0 0 "[ . 1 .]" 1
89 1 53 VAL MG2 1 68 ARG QB 0.000 . 5.800 4.091 3.525 4.420 . 0 0 "[ . 1 .]" 1
90 1 53 VAL MG2 1 61 VAL MG2 0.000 . 6.300 3.064 2.337 3.827 . 0 0 "[ . 1 .]" 1
91 1 53 VAL MG2 1 61 VAL MG1 0.000 . 6.300 2.984 2.316 3.815 . 0 0 "[ . 1 .]" 1
92 1 53 VAL MG2 1 69 MET ME 0.000 . 5.900 2.665 2.025 3.162 . 0 0 "[ . 1 .]" 1
93 1 9 LEU MD1 1 70 MET QB 0.000 . 5.800 2.822 2.018 4.001 . 0 0 "[ . 1 .]" 1
94 1 53 VAL MG2 1 69 MET QG 0.000 . 5.800 2.933 2.090 3.771 . 0 0 "[ . 1 .]" 1
95 1 53 VAL MG2 1 69 MET QB 0.000 . 7.500 2.441 1.984 4.200 . 0 0 "[ . 1 .]" 1
96 1 26 THR MG 1 50 ILE HB 0.000 . 7.500 3.348 2.573 4.321 . 0 0 "[ . 1 .]" 1
97 1 26 THR MG 1 47 GLU QG 0.000 . 5.800 2.280 1.775 4.002 . 0 0 "[ . 1 .]" 1
98 1 26 THR MG 1 50 ILE MD 0.000 . 5.900 2.361 1.999 2.914 . 0 0 "[ . 1 .]" 1
99 1 26 THR MG 1 50 ILE QG 0.000 . 5.400 3.427 2.063 3.886 . 0 0 "[ . 1 .]" 1
100 1 26 THR MG 1 59 GLY QA 0.000 . 7.500 5.166 4.317 5.545 . 0 0 "[ . 1 .]" 1
101 1 26 THR HB 1 47 GLU QG 0.000 . 5.300 3.910 2.181 4.593 . 0 0 "[ . 1 .]" 1
102 1 29 LEU MD2 1 49 ILE MG 0.000 . 8.000 3.790 2.258 4.690 . 0 0 "[ . 1 .]" 1
103 1 29 LEU MD1 1 46 ILE HA 0.000 . 6.500 4.633 3.626 5.269 . 0 0 "[ . 1 .]" 1
104 1 29 LEU MD1 1 50 ILE MD 0.000 . 6.500 3.427 1.774 3.605 . 0 0 "[ . 1 .]" 1
105 1 61 VAL MG2 1 65 GLU QB 0.000 . 5.400 3.628 2.571 4.201 . 0 0 "[ . 1 .]" 1
106 1 53 VAL QG 1 69 MET ME 0.000 . 7.200 2.584 1.994 3.049 . 0 0 "[ . 1 .]" 1
107 1 26 THR HA 1 50 ILE MD 0.000 . 6.500 2.080 1.887 2.349 . 0 0 "[ . 1 .]" 1
108 1 26 THR HB 1 50 ILE MD 0.000 . 7.500 4.134 3.776 4.486 . 0 0 "[ . 1 .]" 1
109 1 29 LEU QB 1 50 ILE MD 0.000 . 7.500 1.954 1.869 2.042 . 0 0 "[ . 1 .]" 1
110 1 29 LEU QD 1 50 ILE QG 0.000 . 6.800 2.456 2.027 3.277 . 0 0 "[ . 1 .]" 1
111 1 29 LEU MD1 1 50 ILE QG 0.000 . 7.500 3.848 2.312 4.674 . 0 0 "[ . 1 .]" 1
112 1 29 LEU HG 1 50 ILE QG 0.000 . 7.500 2.959 2.254 4.960 . 0 0 "[ . 1 .]" 1
113 1 55 LEU MD1 1 65 GLU QG 0.000 . 5.800 3.692 2.027 5.678 . 0 0 "[ . 1 .]" 1
114 1 55 LEU QB 1 65 GLU QG 0.000 . 5.300 3.279 2.174 4.143 . 0 0 "[ . 1 .]" 1
115 1 24 ILE H 1 62 ASP HA 0.000 . 5.000 3.670 3.023 4.135 . 0 0 "[ . 1 .]" 1
116 1 13 PHE QD 1 66 PHE H 0.000 . 7.000 5.686 5.439 5.978 . 0 0 "[ . 1 .]" 1
117 1 13 PHE QE 1 66 PHE H 0.000 . 7.000 4.313 4.025 4.513 . 0 0 "[ . 1 .]" 1
118 1 16 PHE QE 1 24 ILE H 0.000 . 7.000 6.330 5.870 6.643 . 0 0 "[ . 1 .]" 1
119 1 10 ARG H 1 63 PHE QE 0.000 . 4.900 2.751 2.410 3.036 . 0 0 "[ . 1 .]" 1
120 1 66 PHE QD 1 67 VAL H 0.000 . 7.000 3.580 3.169 3.970 . 0 0 "[ . 1 .]" 1
121 1 13 PHE QD 1 63 PHE H 0.000 . 7.000 4.575 4.386 4.740 . 0 0 "[ . 1 .]" 1
122 1 13 PHE QE 1 63 PHE H 0.000 . 7.000 2.958 2.770 3.129 . 0 0 "[ . 1 .]" 1
123 1 13 PHE HZ 1 63 PHE H 0.000 . 5.000 2.109 1.739 2.495 . 0 0 "[ . 1 .]" 1
124 1 13 PHE H 1 13 PHE QD 0.000 . 3.900 3.609 3.434 3.838 . 0 0 "[ . 1 .]" 1
125 1 13 PHE H 1 66 PHE QE 0.000 . 5.300 2.575 1.998 3.924 . 0 0 "[ . 1 .]" 1
126 1 13 PHE H 1 66 PHE HZ 0.000 . 3.300 3.439 3.371 3.528 0.228 7 0 "[ . 1 .]" 1
127 1 13 PHE QD 1 64 GLU H 0.000 . 7.000 6.367 6.146 6.567 . 0 0 "[ . 1 .]" 1
128 1 13 PHE H 1 66 PHE QD 0.000 . 7.000 4.421 3.980 5.136 . 0 0 "[ . 1 .]" 1
129 1 13 PHE QD 1 66 PHE QE 0.000 . 7.300 2.903 2.617 3.146 . 0 0 "[ . 1 .]" 1
130 1 13 PHE QD 1 66 PHE QD 0.000 . 6.900 2.547 2.346 2.915 . 0 0 "[ . 1 .]" 1
131 1 16 PHE QD 1 24 ILE MD 0.000 . 6.800 2.497 2.168 2.768 . 0 0 "[ . 1 .]" 1
132 1 13 PHE QD 1 66 PHE QB 0.000 . 8.000 3.262 3.011 3.517 . 0 0 "[ . 1 .]" 1
133 1 16 PHE QD 1 32 ALA MB 0.000 . 5.900 2.607 2.372 3.328 . 0 0 "[ . 1 .]" 1
134 1 16 PHE QE 1 32 ALA MB 0.000 . 6.300 2.467 1.930 3.673 . 0 0 "[ . 1 .]" 1
135 1 13 PHE QE 1 61 VAL MG2 0.000 . 6.400 5.287 4.858 5.640 . 0 0 "[ . 1 .]" 1
136 1 6 VAL MG1 1 63 PHE QE 0.000 . 6.800 3.484 2.130 5.100 . 0 0 "[ . 1 .]" 1
137 1 6 VAL MG2 1 63 PHE QE 0.000 . 6.800 4.004 2.274 5.028 . 0 0 "[ . 1 .]" 1
138 1 9 LEU QB 1 66 PHE QE 0.000 . 8.000 3.353 2.139 4.002 . 0 0 "[ . 1 .]" 1
139 1 16 PHE QE 1 29 LEU MD2 0.000 . 6.800 2.496 2.132 3.974 . 0 0 "[ . 1 .]" 1
140 1 16 PHE QD 1 29 LEU MD2 0.000 . 6.800 4.005 3.581 5.210 . 0 0 "[ . 1 .]" 1
141 1 16 PHE QE 1 70 MET ME 0.000 . 6.800 3.165 2.931 3.564 . 0 0 "[ . 1 .]" 1
142 1 16 PHE QD 1 70 MET ME 0.000 . 6.800 4.431 4.059 4.749 . 0 0 "[ . 1 .]" 1
143 1 12 ALA MB 1 66 PHE QD 0.000 . 8.000 4.369 4.011 4.559 . 0 0 "[ . 1 .]" 1
144 1 9 LEU HG 1 63 PHE QE 0.000 . 5.300 4.471 4.197 4.868 . 0 0 "[ . 1 .]" 1
145 1 10 ARG QB 1 63 PHE QE 0.000 . 6.300 3.168 3.026 3.365 . 0 0 "[ . 1 .]" 1
146 1 13 PHE QB 1 66 PHE QD 0.000 . 6.300 3.463 2.580 4.775 . 0 0 "[ . 1 .]" 1
147 1 13 PHE QB 1 66 PHE QE 0.000 . 6.300 2.797 2.167 4.305 . 0 0 "[ . 1 .]" 1
148 1 13 PHE HA 1 66 PHE QE 0.000 . 5.300 3.366 2.736 3.761 . 0 0 "[ . 1 .]" 1
149 1 13 PHE QE 1 63 PHE HA 0.000 . 5.900 2.972 2.544 3.155 . 0 0 "[ . 1 .]" 1
150 1 13 PHE HZ 1 63 PHE HA 0.000 . 3.300 3.348 3.248 3.435 0.135 10 0 "[ . 1 .]" 1
151 1 13 PHE QE 1 66 PHE QB 0.000 . 6.300 2.267 2.113 2.437 . 0 0 "[ . 1 .]" 1
152 1 13 PHE QE 1 63 PHE QB 0.000 . 8.000 2.754 2.292 3.252 . 0 0 "[ . 1 .]" 1
153 1 13 PHE QB 1 63 PHE QE 0.000 . 5.900 3.010 2.608 3.357 . 0 0 "[ . 1 .]" 1
154 1 7 LYS HA 1 63 PHE HZ 0.000 . 2.900 3.128 3.037 3.195 0.295 13 0 "[ . 1 .]" 1
155 1 16 PHE QE 1 24 ILE MD 0.000 . 6.800 2.661 2.291 2.922 . 0 0 "[ . 1 .]" 1
156 1 12 ALA MB 1 16 PHE QD 0.000 . 5.900 2.838 2.532 3.275 . 0 0 "[ . 1 .]" 1
157 1 12 ALA MB 1 16 PHE QE 0.000 . 6.300 3.615 3.420 3.938 . 0 0 "[ . 1 .]" 1
158 1 16 PHE QD 1 29 LEU MD1 0.000 . 6.800 4.286 3.131 4.677 . 0 0 "[ . 1 .]" 1
159 1 16 PHE QE 1 29 LEU MD1 0.000 . 8.500 2.689 2.001 3.028 . 0 0 "[ . 1 .]" 1
160 1 16 PHE QD 1 32 ALA HA 0.000 . 7.000 5.006 4.627 5.971 . 0 0 "[ . 1 .]" 1
161 1 16 PHE QE 1 32 ALA HA 0.000 . 7.000 5.203 4.518 6.533 . 0 0 "[ . 1 .]" 1
162 1 9 LEU H 1 9 LEU HG 0.000 . 5.000 3.734 2.117 4.443 . 0 0 "[ . 1 .]" 1
163 1 9 LEU HA 1 9 LEU HG 0.000 . 3.300 3.438 3.004 3.551 0.251 3 0 "[ . 1 .]" 1
164 1 10 ARG H 1 10 ARG QB 0.000 . 3.900 2.149 2.070 2.222 . 0 0 "[ . 1 .]" 1
165 1 11 ASP H 1 11 ASP HA 0.000 . 2.900 2.816 2.784 2.886 . 0 0 "[ . 1 .]" 1
166 1 11 ASP H 1 11 ASP QB 0.000 . 3.900 2.237 2.091 2.721 . 0 0 "[ . 1 .]" 1
167 1 12 ALA H 1 12 ALA HA 0.000 . 2.900 2.847 2.815 2.865 . 0 0 "[ . 1 .]" 1
168 1 14 ARG H 1 14 ARG QB 0.000 . 3.900 2.208 2.053 2.502 . 0 0 "[ . 1 .]" 1
169 1 15 GLU H 1 15 GLU HA 0.000 . 2.900 2.829 2.808 2.868 . 0 0 "[ . 1 .]" 1
170 1 15 GLU H 1 15 GLU QB 0.000 . 3.900 2.228 2.043 2.612 . 0 0 "[ . 1 .]" 1
171 1 18 THR H 1 18 THR HA 0.000 . 2.900 2.905 2.782 2.979 0.079 7 0 "[ . 1 .]" 1
172 1 18 THR H 1 18 THR HB 0.000 . 3.300 3.310 2.858 3.543 0.243 3 0 "[ . 1 .]" 1
173 1 18 THR H 1 18 THR MG 0.000 . 4.400 2.620 1.680 3.424 . 0 0 "[ . 1 .]" 1
174 1 18 THR HA 1 18 THR HB 0.000 . 2.900 2.666 2.348 2.851 . 0 0 "[ . 1 .]" 1
175 1 23 GLU H 1 23 GLU QG 0.000 . 4.500 2.853 1.779 4.123 . 0 0 "[ . 1 .]" 1
176 1 23 GLU HA 1 23 GLU QG 0.000 . 3.900 2.788 2.307 3.506 . 0 0 "[ . 1 .]" 1
177 1 24 ILE H 1 24 ILE MG 0.000 . 4.500 3.783 3.758 3.821 . 0 0 "[ . 1 .]" 1
178 1 24 ILE H 1 24 ILE MD 0.000 . 5.000 3.049 2.479 3.244 . 0 0 "[ . 1 .]" 1
179 1 23 GLU QB 1 24 ILE H 0.000 . 5.000 3.036 2.663 3.856 . 0 0 "[ . 1 .]" 1
180 1 24 ILE HA 1 24 ILE MD 0.000 . 4.800 3.907 3.858 3.946 . 0 0 "[ . 1 .]" 1
181 1 26 THR HA 1 29 LEU QB 0.000 . 3.900 2.348 2.178 2.581 . 0 0 "[ . 1 .]" 1
182 1 30 ARG H 1 30 ARG QD 0.000 . 6.000 4.125 2.736 4.664 . 0 0 "[ . 1 .]" 1
183 1 32 ALA H 1 32 ALA HA 0.000 . 2.900 2.883 2.839 2.910 0.010 3 0 "[ . 1 .]" 1
184 1 33 MET H 1 33 MET QB 0.000 . 3.900 2.106 2.049 2.225 . 0 0 "[ . 1 .]" 1
185 1 33 MET H 1 33 MET QG 0.000 . 4.500 3.277 2.542 3.957 . 0 0 "[ . 1 .]" 1
186 1 34 ARG H 1 34 ARG QB 0.000 . 3.900 2.239 2.066 2.331 . 0 0 "[ . 1 .]" 1
187 1 37 LEU H 1 37 LEU QB 0.000 . 3.900 2.718 2.240 3.392 . 0 0 "[ . 1 .]" 1
188 1 37 LEU HA 1 37 LEU MD1 0.000 . 4.800 3.314 1.984 3.953 . 0 0 "[ . 1 .]" 1
189 1 46 ILE HA 1 46 ILE MD 0.000 . 4.400 3.378 2.043 4.029 . 0 0 "[ . 1 .]" 1
190 1 47 GLU H 1 47 GLU QG 0.000 . 4.500 2.459 1.652 3.686 . 0 0 "[ . 1 .]" 1
191 1 46 ILE QG 1 47 GLU H 0.000 . 4.500 2.540 1.639 3.204 . 0 0 "[ . 1 .]" 1
192 1 49 ILE H 1 49 ILE HB 0.000 . 2.900 2.326 2.049 2.710 . 0 0 "[ . 1 .]" 1
193 1 49 ILE H 1 49 ILE QG 0.000 . 4.500 2.776 1.676 3.867 . 0 0 "[ . 1 .]" 1
194 1 49 ILE H 1 49 ILE MD 0.000 . 4.800 2.964 1.978 3.847 . 0 0 "[ . 1 .]" 1
195 1 49 ILE HA 1 49 ILE MD 0.000 . 4.400 2.636 1.966 3.773 . 0 0 "[ . 1 .]" 1
196 1 50 ILE H 1 50 ILE HB 0.000 . 2.900 2.316 2.078 2.605 . 0 0 "[ . 1 .]" 1
197 1 50 ILE H 1 50 ILE QG 0.000 . 4.500 2.678 1.837 3.807 . 0 0 "[ . 1 .]" 1
198 1 50 ILE HA 1 50 ILE HB 0.000 . 2.900 2.998 2.796 3.046 0.146 13 0 "[ . 1 .]" 1
199 1 50 ILE HA 1 50 ILE MD 0.000 . 4.400 3.432 2.532 3.781 . 0 0 "[ . 1 .]" 1
200 1 51 ARG H 1 51 ARG QB 0.000 . 3.900 2.252 2.166 2.296 . 0 0 "[ . 1 .]" 1
201 1 55 LEU H 1 55 LEU HA 0.000 . 2.900 2.879 2.397 2.968 0.068 2 0 "[ . 1 .]" 1
202 1 55 LEU H 1 55 LEU QB 0.000 . 3.900 2.569 2.119 3.255 . 0 0 "[ . 1 .]" 1
203 1 55 LEU HA 1 55 LEU MD2 0.000 . 4.800 3.481 2.026 4.085 . 0 0 "[ . 1 .]" 1
204 1 57 GLY H 1 58 ASP H 0.000 . 2.900 1.956 1.397 3.013 0.113 8 0 "[ . 1 .]" 1
205 1 60 ARG H 1 60 ARG QD 0.000 . 6.000 3.921 2.380 5.130 . 0 0 "[ . 1 .]" 1
206 1 61 VAL H 1 61 VAL HB 0.000 . 3.500 2.566 2.317 2.793 . 0 0 "[ . 1 .]" 1
207 1 63 PHE H 1 63 PHE QB 0.000 . 3.900 2.251 2.177 2.296 . 0 0 "[ . 1 .]" 1
208 1 63 PHE HA 1 63 PHE QE 0.000 . 5.300 4.320 4.220 4.371 . 0 0 "[ . 1 .]" 1
209 1 64 GLU H 1 64 GLU HA 0.000 . 2.900 2.883 2.817 2.921 0.021 1 0 "[ . 1 .]" 1
210 1 64 GLU H 1 64 GLU QB 0.000 . 3.900 2.276 2.116 2.572 . 0 0 "[ . 1 .]" 1
211 1 64 GLU H 1 64 GLU QG 0.000 . 4.300 3.213 2.008 4.025 . 0 0 "[ . 1 .]" 1
212 1 64 GLU HA 1 64 GLU QG 0.000 . 3.900 2.501 2.193 3.320 . 0 0 "[ . 1 .]" 1
213 1 65 GLU H 1 65 GLU QG 0.000 . 3.900 2.302 1.710 3.441 . 0 0 "[ . 1 .]" 1
214 1 67 VAL H 1 67 VAL HB 0.000 . 3.500 2.282 2.189 2.435 . 0 0 "[ . 1 .]" 1
215 1 67 VAL H 1 67 VAL MG2 0.000 . 4.400 2.603 2.286 2.759 . 0 0 "[ . 1 .]" 1
216 1 68 ARG H 1 68 ARG QB 0.000 . 3.900 2.231 2.105 2.531 . 0 0 "[ . 1 .]" 1
217 1 53 VAL H 1 53 VAL HB 0.000 . 3.500 2.475 2.233 2.680 . 0 0 "[ . 1 .]" 1
218 1 66 PHE H 1 66 PHE QD 0.000 . 5.000 4.091 3.919 4.182 . 0 0 "[ . 1 .]" 1
219 1 9 LEU HA 1 9 LEU MD1 0.000 . 4.400 2.556 2.016 3.754 . 0 0 "[ . 1 .]" 1
220 1 29 LEU HA 1 29 LEU MD2 0.000 . 4.400 2.454 2.132 3.789 . 0 0 "[ . 1 .]" 1
221 1 5 GLY QA 1 6 VAL H 0.000 . 4.500 2.472 2.127 2.913 . 0 0 "[ . 1 .]" 1
222 1 6 VAL HA 1 9 LEU QD 0.000 . 7.400 3.711 2.745 4.386 . 0 0 "[ . 1 .]" 1
223 1 7 LYS QB 1 8 GLU H 0.000 . 4.300 2.644 2.385 3.399 . 0 0 "[ . 1 .]" 1
224 1 9 LEU QB 1 10 ARG H 0.000 . 4.300 2.607 2.464 2.739 . 0 0 "[ . 1 .]" 1
225 1 6 VAL QG 1 10 ARG H 0.000 . 8.500 4.218 3.582 4.990 . 0 0 "[ . 1 .]" 1
226 1 10 ARG HA 1 13 PHE QB 0.000 . 3.900 2.178 2.076 2.485 . 0 0 "[ . 1 .]" 1
227 1 10 ARG QB 1 11 ASP H 0.000 . 4.500 2.579 2.436 2.990 . 0 0 "[ . 1 .]" 1
228 1 12 ALA HA 1 15 GLU QB 0.000 . 3.900 2.964 2.693 3.145 . 0 0 "[ . 1 .]" 1
229 1 12 ALA HA 1 16 PHE QD 0.000 . 7.000 4.329 3.960 5.057 . 0 0 "[ . 1 .]" 1
230 1 12 ALA HA 1 15 GLU QG 0.000 . 6.000 4.434 3.105 5.099 . 0 0 "[ . 1 .]" 1
231 1 12 ALA HA 1 16 PHE QB 0.000 . 6.000 4.682 4.491 4.985 . 0 0 "[ . 1 .]" 1
232 1 9 LEU QD 1 12 ALA MB 0.000 . 5.000 2.579 2.395 2.769 . 0 0 "[ . 1 .]" 1
233 1 12 ALA MB 1 13 PHE H 0.000 . 5.000 2.169 1.991 2.394 . 0 0 "[ . 1 .]" 1
234 1 13 PHE HA 1 16 PHE QD 0.000 . 5.300 2.859 2.281 3.360 . 0 0 "[ . 1 .]" 1
235 1 15 GLU QB 1 16 PHE H 0.000 . 6.000 2.828 2.618 3.117 . 0 0 "[ . 1 .]" 1
236 1 16 PHE HA 1 18 THR MG 0.000 . 6.500 5.099 4.319 5.265 . 0 0 "[ . 1 .]" 1
237 1 16 PHE H 1 17 ASP H 0.000 . 2.900 2.825 2.639 2.921 0.021 4 0 "[ . 1 .]" 1
238 1 16 PHE QB 1 17 ASP H 0.000 . 4.500 2.126 1.930 2.389 . 0 0 "[ . 1 .]" 1
239 1 16 PHE HA 1 17 ASP H 0.000 . 5.000 3.551 3.542 3.559 . 0 0 "[ . 1 .]" 1
240 1 14 ARG QB 1 17 ASP H 0.000 . 6.000 5.120 4.681 5.442 . 0 0 "[ . 1 .]" 1
241 1 14 ARG HA 1 17 ASP H 0.000 . 5.000 3.568 3.190 3.923 . 0 0 "[ . 1 .]" 1
242 1 17 ASP HA 1 18 THR HA 0.000 . 5.000 4.476 4.380 4.653 . 0 0 "[ . 1 .]" 1
243 1 14 ARG HA 1 17 ASP QB 0.000 . 4.300 3.556 3.269 3.775 . 0 0 "[ . 1 .]" 1
244 1 17 ASP HA 1 18 THR H 0.000 . 2.900 2.235 2.146 2.426 . 0 0 "[ . 1 .]" 1
245 1 17 ASP QB 1 18 THR H 0.000 . 4.500 3.717 3.165 4.045 . 0 0 "[ . 1 .]" 1
246 1 18 THR H 1 19 ASN H 0.000 . 3.500 2.527 1.928 3.051 . 0 0 "[ . 1 .]" 1
247 1 18 THR HB 1 19 ASN H 0.000 . 4.500 3.961 2.865 4.448 . 0 0 "[ . 1 .]" 1
248 1 18 THR HA 1 19 ASN H 0.000 . 5.000 3.318 2.982 3.570 . 0 0 "[ . 1 .]" 1
249 1 20 GLY H 1 21 ASP H 0.000 . 2.900 2.387 1.671 2.963 0.063 11 0 "[ . 1 .]" 1
250 1 21 ASP H 1 22 GLY H 0.000 . 2.900 2.412 1.669 2.919 0.019 13 0 "[ . 1 .]" 1
251 1 20 GLY QA 1 21 ASP H 0.000 . 3.900 2.619 2.337 2.924 . 0 0 "[ . 1 .]" 1
252 1 22 GLY H 1 23 GLU H 0.000 . 2.900 2.164 1.634 2.939 0.039 10 0 "[ . 1 .]" 1
253 1 21 ASP HA 1 22 GLY H 0.000 . 5.000 3.517 3.302 3.577 . 0 0 "[ . 1 .]" 1
254 1 21 ASP HA 1 23 GLU H 0.000 . 5.000 4.722 4.178 5.060 0.060 10 0 "[ . 1 .]" 1
255 1 23 GLU HA 1 24 ILE MG 0.000 . 6.500 5.425 5.389 5.454 . 0 0 "[ . 1 .]" 1
256 1 24 ILE HA 1 25 SER H 0.000 . 2.900 2.136 2.109 2.230 . 0 0 "[ . 1 .]" 1
257 1 24 ILE HB 1 25 SER H 0.000 . 5.000 4.237 3.770 4.395 . 0 0 "[ . 1 .]" 1
258 1 25 SER H 1 28 GLU QB 0.000 . 4.500 1.923 1.680 2.307 . 0 0 "[ . 1 .]" 1
259 1 24 ILE QG 1 25 SER H 0.000 . 5.000 4.291 4.114 4.420 . 0 0 "[ . 1 .]" 1
260 1 25 SER QB 1 26 THR H 0.000 . 6.000 2.877 2.529 3.445 . 0 0 "[ . 1 .]" 1
261 1 26 THR HA 1 29 LEU MD1 0.000 . 6.500 4.740 3.520 5.279 . 0 0 "[ . 1 .]" 1
262 1 24 ILE MG 1 28 GLU H 0.000 . 6.500 4.347 4.015 4.756 . 0 0 "[ . 1 .]" 1
263 1 27 SER QB 1 28 GLU H 0.000 . 6.000 2.494 2.092 3.165 . 0 0 "[ . 1 .]" 1
264 1 28 GLU H 1 29 LEU H 0.000 . 2.900 2.642 2.514 2.765 . 0 0 "[ . 1 .]" 1
265 1 28 GLU HA 1 29 LEU H 0.000 . 5.000 3.513 3.451 3.555 . 0 0 "[ . 1 .]" 1
266 1 27 SER QB 1 29 LEU H 0.000 . 5.000 4.490 4.361 4.655 . 0 0 "[ . 1 .]" 1
267 1 28 GLU QB 1 29 LEU H 0.000 . 4.500 2.692 2.509 2.908 . 0 0 "[ . 1 .]" 1
268 1 31 GLU H 1 32 ALA MB 0.000 . 6.500 4.337 4.147 4.508 . 0 0 "[ . 1 .]" 1
269 1 31 GLU QB 1 32 ALA H 0.000 . 3.900 2.492 2.220 2.692 . 0 0 "[ . 1 .]" 1
270 1 31 GLU QG 1 32 ALA H 0.000 . 6.000 3.999 3.604 4.503 . 0 0 "[ . 1 .]" 1
271 1 29 LEU MD1 1 32 ALA H 0.000 . 6.500 3.735 3.458 5.606 . 0 0 "[ . 1 .]" 1
272 1 31 GLU HA 1 32 ALA HA 0.000 . 5.000 4.732 4.704 4.773 . 0 0 "[ . 1 .]" 1
273 1 32 ALA HA 1 33 MET HA 0.000 . 5.000 4.762 4.689 4.838 . 0 0 "[ . 1 .]" 1
274 1 32 ALA HA 1 36 LEU MD1 0.000 . 6.500 3.875 3.096 4.712 . 0 0 "[ . 1 .]" 1
275 1 32 ALA MB 1 33 MET H 0.000 . 4.500 2.260 2.034 2.791 . 0 0 "[ . 1 .]" 1
276 1 29 LEU MD1 1 33 MET H 0.000 . 6.500 2.609 2.304 4.743 . 0 0 "[ . 1 .]" 1
277 1 29 LEU HG 1 33 MET H 0.000 . 5.000 4.983 3.970 5.244 0.244 1 0 "[ . 1 .]" 1
278 1 33 MET HA 1 36 LEU MD2 0.000 . 4.800 3.471 2.917 3.805 . 0 0 "[ . 1 .]" 1
279 1 29 LEU MD1 1 33 MET QB 0.000 . 6.500 2.462 2.081 4.420 . 0 0 "[ . 1 .]" 1
280 1 32 ALA MB 1 34 ARG H 0.000 . 6.000 4.198 3.973 4.536 . 0 0 "[ . 1 .]" 1
281 1 35 LYS QB 1 36 LEU H 0.000 . 4.500 2.819 2.393 3.199 . 0 0 "[ . 1 .]" 1
282 1 35 LYS HA 1 36 LEU MD1 0.000 . 4.800 3.876 3.643 4.036 . 0 0 "[ . 1 .]" 1
283 1 37 LEU H 1 38 GLY H 0.000 . 5.000 4.148 2.815 4.597 . 0 0 "[ . 1 .]" 1
284 1 36 LEU H 1 37 LEU H 0.000 . 5.000 2.349 1.984 2.787 . 0 0 "[ . 1 .]" 1
285 1 36 LEU HA 1 37 LEU H 0.000 . 5.000 3.545 3.371 3.592 . 0 0 "[ . 1 .]" 1
286 1 35 LYS HA 1 37 LEU H 0.000 . 5.000 4.936 3.862 5.206 0.206 9 0 "[ . 1 .]" 1
287 1 40 GLN HA 1 41 VAL H 0.000 . 5.000 2.752 2.196 3.568 . 0 0 "[ . 1 .]" 1
288 1 40 GLN QB 1 41 VAL MG1 0.000 . 5.800 4.660 2.357 5.822 0.022 8 0 "[ . 1 .]" 1
289 1 45 ASP QB 1 46 ILE H 0.000 . 6.000 2.097 1.790 2.600 . 0 0 "[ . 1 .]" 1
290 1 45 ASP HA 1 46 ILE H 0.000 . 5.000 3.564 3.513 3.590 . 0 0 "[ . 1 .]" 1
291 1 46 ILE MG 1 47 GLU H 0.000 . 5.000 3.280 1.863 3.853 . 0 0 "[ . 1 .]" 1
292 1 47 GLU HA 1 50 ILE QG 0.000 . 4.300 3.469 2.303 4.256 . 0 0 "[ . 1 .]" 1
293 1 47 GLU HA 1 50 ILE MG 0.000 . 4.800 3.623 2.093 4.034 . 0 0 "[ . 1 .]" 1
294 1 47 GLU HA 1 50 ILE MD 0.000 . 4.800 3.632 3.171 4.141 . 0 0 "[ . 1 .]" 1
295 1 45 ASP HA 1 48 GLU H 0.000 . 5.000 3.596 3.205 4.081 . 0 0 "[ . 1 .]" 1
296 1 52 ASP QB 1 53 VAL H 0.000 . 4.500 2.786 2.129 3.710 . 0 0 "[ . 1 .]" 1
297 1 48 GLU QB 1 49 ILE H 0.000 . 4.500 2.519 2.302 2.669 . 0 0 "[ . 1 .]" 1
298 1 54 ASP QB 1 55 LEU H 0.000 . 6.000 3.469 2.719 4.008 . 0 0 "[ . 1 .]" 1
299 1 55 LEU H 1 56 ASN H 0.000 . 5.000 2.375 1.717 3.766 . 0 0 "[ . 1 .]" 1
300 1 55 LEU QB 1 56 ASN H 0.000 . 4.500 3.084 2.356 3.900 . 0 0 "[ . 1 .]" 1
301 1 55 LEU HA 1 56 ASN H 0.000 . 5.000 3.328 2.251 3.564 . 0 0 "[ . 1 .]" 1
302 1 56 ASN H 1 57 GLY QA 0.000 . 6.000 4.468 3.776 5.044 . 0 0 "[ . 1 .]" 1
303 1 59 GLY QA 1 60 ARG H 0.000 . 6.000 2.787 2.457 2.913 . 0 0 "[ . 1 .]" 1
304 1 60 ARG QB 1 61 VAL H 0.000 . 4.500 2.587 2.491 2.832 . 0 0 "[ . 1 .]" 1
305 1 61 VAL HA 1 65 GLU QB 0.000 . 6.000 2.774 2.215 3.082 . 0 0 "[ . 1 .]" 1
306 1 62 ASP H 1 65 GLU QB 0.000 . 6.000 1.848 1.619 2.340 . 0 0 "[ . 1 .]" 1
307 1 62 ASP H 1 65 GLU QG 0.000 . 6.000 3.643 3.247 4.027 . 0 0 "[ . 1 .]" 1
308 1 63 PHE H 1 64 GLU H 0.000 . 5.000 2.955 2.803 3.170 . 0 0 "[ . 1 .]" 1
309 1 62 ASP QB 1 63 PHE H 0.000 . 3.900 2.979 2.525 3.393 . 0 0 "[ . 1 .]" 1
310 1 62 ASP HA 1 63 PHE H 0.000 . 2.900 2.375 2.317 2.414 . 0 0 "[ . 1 .]" 1
311 1 63 PHE QB 1 64 GLU H 0.000 . 6.000 2.583 2.173 2.881 . 0 0 "[ . 1 .]" 1
312 1 62 ASP QB 1 64 GLU H 0.000 . 6.000 2.798 2.243 3.465 . 0 0 "[ . 1 .]" 1
313 1 64 GLU QB 1 65 GLU H 0.000 . 6.000 2.183 1.901 3.179 . 0 0 "[ . 1 .]" 1
314 1 65 GLU QB 1 66 PHE H 0.000 . 6.000 2.756 2.489 2.909 . 0 0 "[ . 1 .]" 1
315 1 63 PHE HA 1 66 PHE QB 0.000 . 3.900 2.211 2.093 2.500 . 0 0 "[ . 1 .]" 1
316 1 66 PHE QB 1 67 VAL H 0.000 . 6.000 2.508 2.030 2.865 . 0 0 "[ . 1 .]" 1
317 1 67 VAL MG2 1 68 ARG H 0.000 . 6.500 4.073 3.878 4.177 . 0 0 "[ . 1 .]" 1
318 1 67 VAL MG1 1 68 ARG H 0.000 . 6.500 3.281 2.959 3.567 . 0 0 "[ . 1 .]" 1
319 1 11 ASP QB 1 12 ALA H 0.000 . 5.000 2.323 2.155 3.129 . 0 0 "[ . 1 .]" 1
320 1 13 PHE QD 1 16 PHE QE 0.000 . 7.300 4.819 4.246 5.308 . 0 0 "[ . 1 .]" 1
321 1 13 PHE QD 1 14 ARG H 0.000 . 5.300 4.455 4.330 4.556 . 0 0 "[ . 1 .]" 1
322 1 13 PHE QE 1 14 ARG H 0.000 . 7.000 6.446 6.336 6.545 . 0 0 "[ . 1 .]" 1
323 1 13 PHE QD 1 16 PHE QD 0.000 . 9.000 3.743 2.753 4.491 . 0 0 "[ . 1 .]" 1
324 1 23 GLU QB 1 24 ILE QG 0.000 . 7.500 4.588 4.298 5.080 . 0 0 "[ . 1 .]" 1
325 1 26 THR MG 1 30 ARG QD 0.000 . 7.500 5.316 4.579 5.606 . 0 0 "[ . 1 .]" 1
326 1 29 LEU MD2 1 33 MET QG 0.000 . 5.800 3.926 2.177 4.188 . 0 0 "[ . 1 .]" 1
327 1 29 LEU MD1 1 33 MET QG 0.000 . 5.400 2.304 1.917 3.740 . 0 0 "[ . 1 .]" 1
328 1 46 ILE QG 1 47 GLU QG 0.000 . 7.000 3.195 2.207 4.383 . 0 0 "[ . 1 .]" 1
329 1 63 PHE QD 1 66 PHE QD 0.000 . 6.900 2.593 2.172 4.300 . 0 0 "[ . 1 .]" 1
330 1 63 PHE QE 1 66 PHE QD 0.000 . 6.900 3.700 3.271 4.943 . 0 0 "[ . 1 .]" 1
331 1 63 PHE QE 1 67 VAL MG2 0.000 . 6.400 2.972 2.390 3.857 . 0 0 "[ . 1 .]" 1
332 1 66 PHE QD 1 67 VAL MG2 0.000 . 6.800 2.991 2.684 3.449 . 0 0 "[ . 1 .]" 1
333 1 63 PHE QD 1 67 VAL MG2 0.000 . 6.800 3.184 2.596 3.772 . 0 0 "[ . 1 .]" 1
334 1 24 ILE QG 1 28 GLU QG 0.000 . 7.500 5.287 3.742 5.932 . 0 0 "[ . 1 .]" 1
335 1 63 PHE HA 1 67 VAL MG2 0.000 . 4.800 3.692 3.225 3.902 . 0 0 "[ . 1 .]" 1
336 1 66 PHE QB 1 67 VAL MG2 0.000 . 7.500 3.480 2.846 3.930 . 0 0 "[ . 1 .]" 1
337 1 66 PHE HA 1 67 VAL MG2 0.000 . 6.500 5.121 4.863 5.277 . 0 0 "[ . 1 .]" 1
338 1 63 PHE QE 1 67 VAL MG1 0.000 . 8.500 4.828 4.112 5.698 . 0 0 "[ . 1 .]" 1
339 1 64 GLU HA 1 67 VAL MG1 0.000 . 6.500 4.148 3.813 4.518 . 0 0 "[ . 1 .]" 1
340 1 64 GLU QB 1 67 VAL MG1 0.000 . 7.500 5.486 5.003 5.626 . 0 0 "[ . 1 .]" 1
341 1 64 GLU HA 1 67 VAL HB 0.000 . 3.900 2.852 2.548 3.284 . 0 0 "[ . 1 .]" 1
342 1 6 VAL HA 1 9 LEU MD1 0.000 . 6.500 4.878 2.788 5.917 . 0 0 "[ . 1 .]" 1
343 1 33 MET QG 1 37 LEU QD 0.000 . 4.900 2.733 2.233 3.247 . 0 0 "[ . 1 .]" 1
344 1 66 PHE QD 1 70 MET ME 0.000 . 6.300 3.462 2.991 4.064 . 0 0 "[ . 1 .]" 1
345 1 66 PHE QE 1 70 MET ME 0.000 . 6.300 2.088 1.912 2.410 . 0 0 "[ . 1 .]" 1
346 1 24 ILE MG 1 28 GLU QB 0.000 . 5.800 2.343 1.976 2.643 . 0 0 "[ . 1 .]" 1
347 1 61 VAL MG2 1 65 GLU QG 0.000 . 7.500 5.195 3.650 5.852 . 0 0 "[ . 1 .]" 1
348 1 66 PHE QE 1 70 MET QB 0.000 . 8.000 4.312 2.459 5.652 . 0 0 "[ . 1 .]" 1
349 1 15 GLU QB 1 16 PHE QD 0.000 . 8.000 4.526 4.127 5.008 . 0 0 "[ . 1 .]" 1
350 1 15 GLU QB 1 16 PHE QE 0.000 . 8.000 5.980 5.615 6.282 . 0 0 "[ . 1 .]" 1
351 1 66 PHE HZ 1 70 MET ME 0.000 . 4.800 2.690 2.061 3.125 . 0 0 "[ . 1 .]" 1
352 1 16 PHE QD 1 17 ASP QB 0.000 . 8.000 5.019 4.280 5.556 . 0 0 "[ . 1 .]" 1
353 1 66 PHE QD 1 67 VAL HA 0.000 . 7.000 3.879 2.745 4.290 . 0 0 "[ . 1 .]" 1
354 1 7 LYS HA 1 10 ARG QB 0.000 . 3.900 2.284 2.139 2.449 . 0 0 "[ . 1 .]" 1
355 1 8 GLU HA 1 11 ASP QB 0.000 . 3.900 2.764 2.297 3.425 . 0 0 "[ . 1 .]" 1
356 1 9 LEU HA 1 12 ALA MB 0.000 . 3.900 2.885 2.137 3.184 . 0 0 "[ . 1 .]" 1
357 1 11 ASP HA 1 14 ARG QB 0.000 . 3.900 2.848 2.604 3.208 . 0 0 "[ . 1 .]" 1
358 1 27 SER HA 1 30 ARG QB 0.000 . 3.900 3.117 2.737 3.425 . 0 0 "[ . 1 .]" 1
359 1 28 GLU HA 1 31 GLU QB 0.000 . 3.900 2.805 2.636 3.119 . 0 0 "[ . 1 .]" 1
360 1 29 LEU HA 1 32 ALA MB 0.000 . 3.900 2.539 2.201 2.992 . 0 0 "[ . 1 .]" 1
361 1 30 ARG HA 1 33 MET QB 0.000 . 3.900 2.550 2.174 2.774 . 0 0 "[ . 1 .]" 1
362 1 31 GLU HA 1 34 ARG QB 0.000 . 3.900 2.547 2.253 3.008 . 0 0 "[ . 1 .]" 1
363 1 32 ALA HA 1 35 LYS QB 0.000 . 3.900 3.005 2.567 3.330 . 0 0 "[ . 1 .]" 1
364 1 33 MET HA 1 36 LEU QB 0.000 . 3.900 2.865 2.476 3.131 . 0 0 "[ . 1 .]" 1
365 1 46 ILE HA 1 49 ILE HB 0.000 . 3.900 3.024 2.652 3.499 . 0 0 "[ . 1 .]" 1
366 1 47 GLU HA 1 50 ILE HB 0.000 . 3.900 2.456 2.161 2.732 . 0 0 "[ . 1 .]" 1
367 1 48 GLU HA 1 51 ARG QB 0.000 . 3.900 2.558 2.303 2.883 . 0 0 "[ . 1 .]" 1
368 1 49 ILE HA 1 52 ASP QB 0.000 . 3.900 3.008 2.454 3.364 . 0 0 "[ . 1 .]" 1
369 1 50 ILE HA 1 53 VAL HB 0.000 . 3.900 3.861 3.032 4.031 0.131 2 0 "[ . 1 .]" 1
370 1 65 GLU HA 1 68 ARG QB 0.000 . 3.900 2.599 2.189 3.300 . 0 0 "[ . 1 .]" 1
371 1 66 PHE HA 1 69 MET QB 0.000 . 3.900 2.752 2.305 2.967 . 0 0 "[ . 1 .]" 1
372 1 67 VAL HA 1 70 MET QB 0.000 . 3.900 2.994 2.808 3.161 . 0 0 "[ . 1 .]" 1
373 1 68 ARG HA 1 71 SER QB 0.000 . 3.900 3.245 3.043 3.579 . 0 0 "[ . 1 .]" 1
374 1 6 VAL H 1 7 LYS H 0.000 . 5.000 2.719 2.312 3.269 . 0 0 "[ . 1 .]" 1
375 1 7 LYS H 1 8 GLU H 0.000 . 5.000 2.820 2.583 2.958 . 0 0 "[ . 1 .]" 1
376 1 8 GLU H 1 9 LEU H 0.000 . 5.000 2.816 2.627 2.928 . 0 0 "[ . 1 .]" 1
377 1 9 LEU H 1 10 ARG H 0.000 . 2.900 2.669 2.563 2.734 . 0 0 "[ . 1 .]" 1
378 1 10 ARG H 1 11 ASP H 0.000 . 2.900 2.696 2.620 2.799 . 0 0 "[ . 1 .]" 1
379 1 11 ASP H 1 12 ALA H 0.000 . 2.900 2.819 2.568 2.919 0.019 8 0 "[ . 1 .]" 1
380 1 12 ALA H 1 13 PHE H 0.000 . 2.900 2.779 2.712 2.870 . 0 0 "[ . 1 .]" 1
381 1 13 PHE H 1 14 ARG H 0.000 . 2.900 2.911 2.845 2.974 0.074 3 0 "[ . 1 .]" 1
382 1 14 ARG H 1 15 GLU H 0.000 . 2.900 2.826 2.707 2.912 0.012 3 0 "[ . 1 .]" 1
383 1 15 GLU H 1 16 PHE H 0.000 . 2.900 2.628 2.549 2.701 . 0 0 "[ . 1 .]" 1
384 1 6 VAL H 1 8 GLU H 0.000 . 5.000 4.412 3.397 4.850 . 0 0 "[ . 1 .]" 1
385 1 7 LYS H 1 9 LEU H 0.000 . 5.000 4.348 4.133 4.474 . 0 0 "[ . 1 .]" 1
386 1 8 GLU H 1 10 ARG H 0.000 . 5.000 4.030 3.867 4.211 . 0 0 "[ . 1 .]" 1
387 1 9 LEU H 1 11 ASP H 0.000 . 5.000 4.098 3.934 4.353 . 0 0 "[ . 1 .]" 1
388 1 10 ARG H 1 12 ALA H 0.000 . 5.000 4.381 4.158 4.537 . 0 0 "[ . 1 .]" 1
389 1 11 ASP H 1 13 PHE H 0.000 . 5.000 4.276 4.142 4.403 . 0 0 "[ . 1 .]" 1
390 1 12 ALA H 1 14 ARG H 0.000 . 5.000 4.048 3.927 4.146 . 0 0 "[ . 1 .]" 1
391 1 13 PHE H 1 15 GLU H 0.000 . 5.000 4.784 4.602 4.986 . 0 0 "[ . 1 .]" 1
392 1 6 VAL HA 1 7 LYS H 0.000 . 5.000 3.481 3.366 3.572 . 0 0 "[ . 1 .]" 1
393 1 7 LYS HA 1 8 GLU H 0.000 . 5.000 3.563 3.519 3.595 . 0 0 "[ . 1 .]" 1
394 1 8 GLU HA 1 9 LEU H 0.000 . 5.000 3.541 3.513 3.566 . 0 0 "[ . 1 .]" 1
395 1 9 LEU HA 1 10 ARG H 0.000 . 5.000 3.527 3.498 3.555 . 0 0 "[ . 1 .]" 1
396 1 10 ARG HA 1 11 ASP H 0.000 . 5.000 3.525 3.490 3.566 . 0 0 "[ . 1 .]" 1
397 1 11 ASP HA 1 12 ALA H 0.000 . 5.000 3.564 3.545 3.587 . 0 0 "[ . 1 .]" 1
398 1 12 ALA HA 1 13 PHE H 0.000 . 5.000 3.542 3.526 3.551 . 0 0 "[ . 1 .]" 1
399 1 13 PHE HA 1 14 ARG H 0.000 . 5.000 3.529 3.501 3.553 . 0 0 "[ . 1 .]" 1
400 1 14 ARG HA 1 15 GLU H 0.000 . 5.000 3.581 3.573 3.593 . 0 0 "[ . 1 .]" 1
401 1 6 VAL HA 1 9 LEU H 0.000 . 3.500 3.349 3.181 3.596 0.096 5 0 "[ . 1 .]" 1
402 1 7 LYS HA 1 10 ARG H 0.000 . 3.500 2.993 2.835 3.158 . 0 0 "[ . 1 .]" 1
403 1 8 GLU HA 1 11 ASP H 0.000 . 3.500 3.178 2.984 3.506 0.006 7 0 "[ . 1 .]" 1
404 1 9 LEU HA 1 12 ALA H 0.000 . 3.500 3.268 2.712 3.517 0.017 9 0 "[ . 1 .]" 1
405 1 10 ARG HA 1 13 PHE H 0.000 . 3.500 3.331 3.129 3.585 0.085 10 0 "[ . 1 .]" 1
406 1 11 ASP HA 1 14 ARG H 0.000 . 3.500 3.509 3.400 3.575 0.075 12 0 "[ . 1 .]" 1
407 1 12 ALA HA 1 15 GLU H 0.000 . 3.500 3.445 3.271 3.555 0.055 7 0 "[ . 1 .]" 1
408 1 6 VAL HA 1 10 ARG H 0.000 . 5.000 4.855 4.695 5.008 0.008 3 0 "[ . 1 .]" 1
409 1 7 LYS HA 1 11 ASP H 0.000 . 5.000 4.596 4.249 4.786 . 0 0 "[ . 1 .]" 1
410 1 9 LEU HA 1 13 PHE H 0.000 . 5.000 4.181 3.622 4.514 . 0 0 "[ . 1 .]" 1
411 1 10 ARG HA 1 14 ARG H 0.000 . 5.000 4.177 3.867 4.511 . 0 0 "[ . 1 .]" 1
412 1 11 ASP HA 1 15 GLU H 0.000 . 5.000 4.489 4.177 4.747 . 0 0 "[ . 1 .]" 1
413 1 27 SER H 1 28 GLU H 0.000 . 5.000 2.909 2.630 3.173 . 0 0 "[ . 1 .]" 1
414 1 29 LEU H 1 30 ARG H 0.000 . 2.900 2.793 2.580 2.923 0.023 1 0 "[ . 1 .]" 1
415 1 30 ARG H 1 31 GLU H 0.000 . 2.900 2.925 2.835 2.976 0.076 8 0 "[ . 1 .]" 1
416 1 31 GLU H 1 32 ALA H 0.000 . 2.900 2.675 2.450 2.869 . 0 0 "[ . 1 .]" 1
417 1 32 ALA H 1 33 MET H 0.000 . 2.900 2.673 2.433 2.809 . 0 0 "[ . 1 .]" 1
418 1 33 MET H 1 34 ARG H 0.000 . 2.900 2.664 2.377 2.841 . 0 0 "[ . 1 .]" 1
419 1 34 ARG H 1 35 LYS H 0.000 . 2.900 2.585 2.237 2.909 0.009 6 0 "[ . 1 .]" 1
420 1 35 LYS H 1 36 LEU H 0.000 . 2.900 2.615 2.363 2.828 . 0 0 "[ . 1 .]" 1
421 1 28 GLU H 1 30 ARG H 0.000 . 5.000 4.568 4.263 4.807 . 0 0 "[ . 1 .]" 1
422 1 31 GLU H 1 33 MET H 0.000 . 5.000 4.296 3.795 4.572 . 0 0 "[ . 1 .]" 1
423 1 32 ALA H 1 34 ARG H 0.000 . 5.000 3.805 3.562 4.133 . 0 0 "[ . 1 .]" 1
424 1 33 MET H 1 35 LYS H 0.000 . 5.000 4.317 3.951 4.642 . 0 0 "[ . 1 .]" 1
425 1 29 LEU HA 1 30 ARG H 0.000 . 5.000 3.548 3.534 3.557 . 0 0 "[ . 1 .]" 1
426 1 30 ARG HA 1 31 GLU H 0.000 . 5.000 3.553 3.535 3.564 . 0 0 "[ . 1 .]" 1
427 1 31 GLU HA 1 32 ALA H 0.000 . 5.000 3.527 3.486 3.562 . 0 0 "[ . 1 .]" 1
428 1 32 ALA HA 1 33 MET H 0.000 . 5.000 3.566 3.464 3.593 . 0 0 "[ . 1 .]" 1
429 1 33 MET HA 1 34 ARG H 0.000 . 5.000 3.490 3.398 3.565 . 0 0 "[ . 1 .]" 1
430 1 34 ARG HA 1 35 LYS H 0.000 . 5.000 3.528 3.457 3.566 . 0 0 "[ . 1 .]" 1
431 1 26 THR HA 1 29 LEU H 0.000 . 3.500 3.424 3.100 3.532 0.032 13 0 "[ . 1 .]" 1
432 1 28 GLU HA 1 31 GLU H 0.000 . 3.500 3.537 3.421 3.607 0.107 9 0 "[ . 1 .]" 1
433 1 29 LEU HA 1 32 ALA H 0.000 . 3.500 3.239 2.871 3.454 . 0 0 "[ . 1 .]" 1
434 1 30 ARG HA 1 33 MET H 0.000 . 3.500 3.496 3.350 3.554 0.054 4 0 "[ . 1 .]" 1
435 1 31 GLU HA 1 34 ARG H 0.000 . 3.500 3.571 3.468 3.639 0.139 12 0 "[ . 1 .]" 1
436 1 32 ALA HA 1 35 LYS H 0.000 . 3.500 3.465 3.140 3.623 0.123 8 0 "[ . 1 .]" 1
437 1 28 GLU HA 1 32 ALA H 0.000 . 5.000 4.328 4.008 4.630 . 0 0 "[ . 1 .]" 1
438 1 29 LEU HA 1 33 MET H 0.000 . 5.000 3.716 3.467 4.088 . 0 0 "[ . 1 .]" 1
439 1 30 ARG HA 1 34 ARG H 0.000 . 5.000 3.804 3.325 4.346 . 0 0 "[ . 1 .]" 1
440 1 46 ILE H 1 47 GLU H 0.000 . 5.000 2.894 2.745 3.110 . 0 0 "[ . 1 .]" 1
441 1 47 GLU H 1 48 GLU H 0.000 . 2.900 2.749 2.492 2.941 0.041 2 0 "[ . 1 .]" 1
442 1 48 GLU H 1 49 ILE H 0.000 . 2.900 2.792 2.655 2.914 0.014 2 0 "[ . 1 .]" 1
443 1 49 ILE H 1 50 ILE H 0.000 . 2.900 2.579 2.325 2.884 . 0 0 "[ . 1 .]" 1
444 1 50 ILE H 1 51 ARG H 0.000 . 2.900 2.480 2.275 2.823 . 0 0 "[ . 1 .]" 1
445 1 51 ARG H 1 52 ASP H 0.000 . 2.900 2.418 2.280 2.744 . 0 0 "[ . 1 .]" 1
446 1 46 ILE HA 1 47 GLU H 0.000 . 5.000 3.547 3.400 3.577 . 0 0 "[ . 1 .]" 1
447 1 47 GLU HA 1 48 GLU H 0.000 . 5.000 3.554 3.509 3.580 . 0 0 "[ . 1 .]" 1
448 1 48 GLU HA 1 49 ILE H 0.000 . 5.000 3.536 3.506 3.563 . 0 0 "[ . 1 .]" 1
449 1 49 ILE HA 1 50 ILE H 0.000 . 5.000 3.522 3.485 3.564 . 0 0 "[ . 1 .]" 1
450 1 50 ILE HA 1 51 ARG H 0.000 . 5.000 3.425 3.339 3.490 . 0 0 "[ . 1 .]" 1
451 1 51 ARG HA 1 52 ASP H 0.000 . 5.000 3.526 3.457 3.585 . 0 0 "[ . 1 .]" 1
452 1 52 ASP HA 1 53 VAL H 0.000 . 5.000 3.486 3.382 3.572 . 0 0 "[ . 1 .]" 1
453 1 46 ILE HA 1 49 ILE H 0.000 . 3.500 3.531 3.433 3.599 0.099 12 0 "[ . 1 .]" 1
454 1 47 GLU HA 1 50 ILE H 0.000 . 3.500 3.163 2.631 3.444 . 0 0 "[ . 1 .]" 1
455 1 48 GLU HA 1 51 ARG H 0.000 . 3.500 3.425 3.250 3.573 0.073 13 0 "[ . 1 .]" 1
456 1 49 ILE HA 1 52 ASP H 0.000 . 5.000 3.537 3.145 4.033 . 0 0 "[ . 1 .]" 1
457 1 50 ILE HA 1 53 VAL H 0.000 . 5.000 3.865 3.520 4.269 . 0 0 "[ . 1 .]" 1
458 1 46 ILE HA 1 50 ILE H 0.000 . 5.000 4.472 4.164 4.661 . 0 0 "[ . 1 .]" 1
459 1 48 GLU HA 1 52 ASP H 0.000 . 5.000 3.998 3.531 4.519 . 0 0 "[ . 1 .]" 1
460 1 50 ILE HA 1 54 ASP H 0.000 . 5.000 4.732 3.658 5.100 0.100 4 0 "[ . 1 .]" 1
461 1 64 GLU H 1 65 GLU H 0.000 . 2.900 2.787 2.636 2.876 . 0 0 "[ . 1 .]" 1
462 1 65 GLU H 1 66 PHE H 0.000 . 2.900 2.609 2.547 2.685 . 0 0 "[ . 1 .]" 1
463 1 66 PHE H 1 67 VAL H 0.000 . 2.900 2.558 2.408 2.698 . 0 0 "[ . 1 .]" 1
464 1 67 VAL H 1 68 ARG H 0.000 . 2.900 2.555 2.468 2.852 . 0 0 "[ . 1 .]" 1
465 1 68 ARG H 1 69 MET H 0.000 . 2.900 2.409 2.349 2.564 . 0 0 "[ . 1 .]" 1
466 1 69 MET H 1 70 MET H 0.000 . 5.000 2.424 2.231 2.540 . 0 0 "[ . 1 .]" 1
467 1 64 GLU H 1 66 PHE H 0.000 . 5.000 3.637 3.418 4.209 . 0 0 "[ . 1 .]" 1
468 1 65 GLU H 1 67 VAL H 0.000 . 5.000 4.267 3.971 4.609 . 0 0 "[ . 1 .]" 1
469 1 66 PHE H 1 68 ARG H 0.000 . 5.000 3.859 3.530 4.349 . 0 0 "[ . 1 .]" 1
470 1 67 VAL H 1 69 MET H 0.000 . 5.000 3.965 3.785 4.230 . 0 0 "[ . 1 .]" 1
471 1 68 ARG H 1 70 MET H 0.000 . 5.000 3.965 3.766 4.169 . 0 0 "[ . 1 .]" 1
472 1 63 PHE HA 1 64 GLU H 0.000 . 5.000 3.516 3.460 3.572 . 0 0 "[ . 1 .]" 1
473 1 64 GLU HA 1 65 GLU H 0.000 . 5.000 3.572 3.561 3.580 . 0 0 "[ . 1 .]" 1
474 1 65 GLU HA 1 66 PHE H 0.000 . 5.000 3.478 3.433 3.532 . 0 0 "[ . 1 .]" 1
475 1 66 PHE HA 1 67 VAL H 0.000 . 5.000 3.530 3.506 3.567 . 0 0 "[ . 1 .]" 1
476 1 67 VAL HA 1 68 ARG H 0.000 . 5.000 3.491 3.406 3.561 . 0 0 "[ . 1 .]" 1
477 1 68 ARG HA 1 69 MET H 0.000 . 5.000 3.483 3.441 3.534 . 0 0 "[ . 1 .]" 1
478 1 69 MET HA 1 70 MET H 0.000 . 5.000 3.477 3.427 3.536 . 0 0 "[ . 1 .]" 1
479 1 63 PHE HA 1 66 PHE H 0.000 . 3.500 3.621 3.563 3.679 0.179 7 0 "[ . 1 .]" 1
480 1 64 GLU HA 1 67 VAL H 0.000 . 3.500 3.472 3.338 3.563 0.063 6 0 "[ . 1 .]" 1
481 1 65 GLU HA 1 68 ARG H 0.000 . 5.000 3.382 2.980 3.725 . 0 0 "[ . 1 .]" 1
482 1 66 PHE HA 1 69 MET H 0.000 . 3.500 3.338 3.104 3.524 0.024 3 0 "[ . 1 .]" 1
483 1 67 VAL HA 1 70 MET H 0.000 . 3.500 3.526 3.465 3.594 0.094 11 0 "[ . 1 .]" 1
484 1 63 PHE HA 1 67 VAL H 0.000 . 5.000 3.797 3.520 4.137 . 0 0 "[ . 1 .]" 1
485 1 64 GLU HA 1 68 ARG H 0.000 . 5.000 4.370 4.011 4.744 . 0 0 "[ . 1 .]" 1
486 1 65 GLU HA 1 69 MET H 0.000 . 5.000 4.269 3.838 4.499 . 0 0 "[ . 1 .]" 1
487 1 66 PHE HA 1 70 MET H 0.000 . 5.000 4.457 4.228 4.750 . 0 0 "[ . 1 .]" 1
488 1 67 VAL HA 1 71 SER H 0.000 . 5.000 4.527 3.801 5.004 0.004 12 0 "[ . 1 .]" 1
489 1 23 GLU H 1 24 ILE H 0.000 . 5.000 4.338 4.066 4.621 . 0 0 "[ . 1 .]" 1
490 1 23 GLU HA 1 24 ILE H 0.000 . 2.900 2.240 2.154 2.369 . 0 0 "[ . 1 .]" 1
491 1 25 SER HA 1 26 THR H 0.000 . 5.000 2.351 2.321 2.368 . 0 0 "[ . 1 .]" 1
492 1 60 ARG HA 1 61 VAL H 0.000 . 2.900 2.362 2.323 2.394 . 0 0 "[ . 1 .]" 1
493 1 61 VAL HA 1 62 ASP H 0.000 . 2.900 2.168 2.116 2.231 . 0 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 204
_Distance_constraint_stats_list.Viol_total 172.241
_Distance_constraint_stats_list.Viol_max 0.184
_Distance_constraint_stats_list.Viol_rms 0.0344
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0153
_Distance_constraint_stats_list.Viol_average_violations_only 0.0563
_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 6 VAL 1.941 0.184 15 0 "[ . 1 .]"
1 7 LYS 0.559 0.153 14 0 "[ . 1 .]"
1 8 GLU 2.608 0.181 4 0 "[ . 1 .]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 10 ARG 1.941 0.184 15 0 "[ . 1 .]"
1 11 ASP 1.168 0.153 14 0 "[ . 1 .]"
1 12 ALA 2.608 0.181 4 0 "[ . 1 .]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 14 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 15 GLU 0.609 0.128 9 0 "[ . 1 .]"
1 16 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 24 ILE 1.524 0.140 4 0 "[ . 1 .]"
1 26 THR 0.000 0.000 . 0 "[ . 1 .]"
1 27 SER 0.824 0.087 13 0 "[ . 1 .]"
1 28 GLU 0.107 0.066 13 0 "[ . 1 .]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 30 ARG 0.097 0.083 13 0 "[ . 1 .]"
1 31 GLU 1.354 0.087 13 0 "[ . 1 .]"
1 32 ALA 0.107 0.066 13 0 "[ . 1 .]"
1 33 MET 0.000 0.000 . 0 "[ . 1 .]"
1 34 ARG 0.097 0.083 13 0 "[ . 1 .]"
1 35 LYS 0.529 0.084 13 0 "[ . 1 .]"
1 43 HIS 0.517 0.094 1 0 "[ . 1 .]"
1 44 ARG 0.181 0.068 12 0 "[ . 1 .]"
1 45 ASP 0.359 0.107 10 0 "[ . 1 .]"
1 46 ILE 0.081 0.028 6 0 "[ . 1 .]"
1 47 GLU 0.517 0.094 1 0 "[ . 1 .]"
1 48 GLU 0.182 0.068 12 0 "[ . 1 .]"
1 49 ILE 0.359 0.107 10 0 "[ . 1 .]"
1 50 ILE 0.081 0.028 6 0 "[ . 1 .]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 52 ASP 0.001 0.001 14 0 "[ . 1 .]"
1 61 VAL 1.524 0.140 4 0 "[ . 1 .]"
1 63 PHE 0.029 0.022 14 0 "[ . 1 .]"
1 64 GLU 0.097 0.049 14 0 "[ . 1 .]"
1 65 GLU 0.233 0.081 1 0 "[ . 1 .]"
1 66 PHE 1.185 0.156 6 0 "[ . 1 .]"
1 67 VAL 0.029 0.022 14 0 "[ . 1 .]"
1 68 ARG 0.097 0.049 14 0 "[ . 1 .]"
1 69 MET 0.233 0.081 1 0 "[ . 1 .]"
1 70 MET 1.185 0.156 6 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 VAL O 1 10 ARG N 0.000 . 3.300 3.292 3.109 3.367 0.067 3 0 "[ . 1 .]" 2
2 1 6 VAL O 1 10 ARG H 0.000 . 2.300 2.406 2.251 2.484 0.184 15 0 "[ . 1 .]" 2
3 1 7 LYS O 1 11 ASP N 0.000 . 3.300 3.076 2.735 3.295 . 0 0 "[ . 1 .]" 2
4 1 7 LYS O 1 11 ASP H 0.000 . 2.300 2.231 1.868 2.453 0.153 14 0 "[ . 1 .]" 2
5 1 8 GLU O 1 12 ALA N 0.000 . 3.300 3.330 3.118 3.400 0.100 8 0 "[ . 1 .]" 2
6 1 8 GLU O 1 12 ALA H 0.000 . 2.300 2.424 2.211 2.481 0.181 4 0 "[ . 1 .]" 2
7 1 9 LEU O 1 13 PHE N 0.000 . 3.300 2.912 2.543 3.192 . 0 0 "[ . 1 .]" 2
8 1 9 LEU O 1 13 PHE H 0.000 . 2.300 1.948 1.596 2.214 . 0 0 "[ . 1 .]" 2
9 1 10 ARG O 1 14 ARG N 0.000 . 3.300 2.880 2.600 3.103 . 0 0 "[ . 1 .]" 2
10 1 10 ARG O 1 14 ARG H 0.000 . 2.300 2.033 1.769 2.271 . 0 0 "[ . 1 .]" 2
11 1 11 ASP O 1 15 GLU N 0.000 . 3.300 3.224 2.960 3.348 0.048 9 0 "[ . 1 .]" 2
12 1 11 ASP O 1 15 GLU H 0.000 . 2.300 2.278 1.986 2.428 0.128 9 0 "[ . 1 .]" 2
13 1 12 ALA O 1 16 PHE N 0.000 . 3.300 2.744 2.581 2.929 . 0 0 "[ . 1 .]" 2
14 1 12 ALA O 1 16 PHE H 0.000 . 2.300 1.881 1.629 2.155 . 0 0 "[ . 1 .]" 2
15 1 26 THR O 1 30 ARG N 0.000 . 3.300 2.825 2.456 3.098 . 0 0 "[ . 1 .]" 2
16 1 26 THR O 1 30 ARG H 0.000 . 2.300 1.878 1.476 2.201 . 0 0 "[ . 1 .]" 2
17 1 27 SER O 1 31 GLU N 0.000 . 3.300 3.295 3.200 3.338 0.038 6 0 "[ . 1 .]" 2
18 1 27 SER O 1 31 GLU H 0.000 . 2.300 2.343 2.311 2.387 0.087 13 0 "[ . 1 .]" 2
19 1 28 GLU O 1 32 ALA N 0.000 . 3.300 3.022 2.572 3.263 . 0 0 "[ . 1 .]" 2
20 1 28 GLU O 1 32 ALA H 0.000 . 2.300 2.135 1.758 2.366 0.066 13 0 "[ . 1 .]" 2
21 1 29 LEU O 1 33 MET N 0.000 . 3.300 2.603 2.420 2.767 . 0 0 "[ . 1 .]" 2
22 1 29 LEU O 1 33 MET H 0.000 . 2.300 1.662 1.444 1.855 . 0 0 "[ . 1 .]" 2
23 1 30 ARG O 1 34 ARG N 0.000 . 3.300 2.671 2.403 3.166 . 0 0 "[ . 1 .]" 2
24 1 30 ARG O 1 34 ARG H 0.000 . 2.300 1.859 1.578 2.383 0.083 13 0 "[ . 1 .]" 2
25 1 31 GLU O 1 35 LYS N 0.000 . 3.300 3.187 3.033 3.289 . 0 0 "[ . 1 .]" 2
26 1 31 GLU O 1 35 LYS H 0.000 . 2.300 2.323 2.138 2.384 0.084 13 0 "[ . 1 .]" 2
27 1 43 HIS O 1 47 GLU N 0.000 . 3.300 3.210 2.951 3.352 0.052 4 0 "[ . 1 .]" 2
28 1 43 HIS O 1 47 GLU H 0.000 . 2.300 2.277 2.022 2.394 0.094 1 0 "[ . 1 .]" 2
29 1 44 ARG O 1 48 GLU N 0.000 . 3.300 3.011 2.555 3.230 . 0 0 "[ . 1 .]" 2
30 1 44 ARG O 1 48 GLU H 0.000 . 2.300 2.126 1.617 2.368 0.068 12 0 "[ . 1 .]" 2
31 1 45 ASP O 1 49 ILE N 0.000 . 3.300 3.158 2.857 3.325 0.025 7 0 "[ . 1 .]" 2
32 1 45 ASP O 1 49 ILE H 0.000 . 2.300 2.260 1.966 2.407 0.107 10 0 "[ . 1 .]" 2
33 1 46 ILE O 1 50 ILE N 0.000 . 3.300 3.089 2.777 3.265 . 0 0 "[ . 1 .]" 2
34 1 46 ILE O 1 50 ILE H 0.000 . 2.300 2.197 1.848 2.328 0.028 6 0 "[ . 1 .]" 2
35 1 47 GLU O 1 51 ARG N 0.000 . 3.300 2.731 2.396 3.056 . 0 0 "[ . 1 .]" 2
36 1 47 GLU O 1 51 ARG H 0.000 . 2.300 1.967 1.692 2.262 . 0 0 "[ . 1 .]" 2
37 1 48 GLU O 1 52 ASP N 0.000 . 3.300 2.954 2.637 3.175 . 0 0 "[ . 1 .]" 2
38 1 48 GLU O 1 52 ASP H 0.000 . 2.300 2.065 1.755 2.301 0.001 14 0 "[ . 1 .]" 2
39 1 63 PHE O 1 67 VAL N 0.000 . 3.300 2.861 2.461 3.160 . 0 0 "[ . 1 .]" 2
40 1 63 PHE O 1 67 VAL H 0.000 . 2.300 1.990 1.544 2.322 0.022 14 0 "[ . 1 .]" 2
41 1 64 GLU O 1 68 ARG N 0.000 . 3.300 3.019 2.795 3.253 . 0 0 "[ . 1 .]" 2
42 1 64 GLU O 1 68 ARG H 0.000 . 2.300 2.157 1.908 2.349 0.049 14 0 "[ . 1 .]" 2
43 1 65 GLU O 1 69 MET N 0.000 . 3.300 2.987 2.677 3.126 . 0 0 "[ . 1 .]" 2
44 1 65 GLU O 1 69 MET H 0.000 . 2.300 2.234 1.853 2.381 0.081 1 0 "[ . 1 .]" 2
45 1 66 PHE O 1 70 MET N 0.000 . 3.300 3.198 2.967 3.327 0.027 3 0 "[ . 1 .]" 2
46 1 66 PHE O 1 70 MET H 0.000 . 2.300 2.374 2.265 2.456 0.156 6 0 "[ . 1 .]" 2
47 1 24 ILE O 1 61 VAL N 0.000 . 3.300 3.283 3.171 3.349 0.049 11 0 "[ . 1 .]" 2
48 1 24 ILE O 1 61 VAL H 0.000 . 2.300 2.369 2.325 2.440 0.140 4 0 "[ . 1 .]" 2
49 1 24 ILE N 1 61 VAL O 0.000 . 3.300 3.100 2.886 3.218 . 0 0 "[ . 1 .]" 2
50 1 24 ILE H 1 61 VAL O 0.000 . 2.300 2.290 2.010 2.394 0.094 4 0 "[ . 1 .]" 2
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