NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
382498 |
1ji8   |
5115 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ji8
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 2
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 CYS SG 1 22 CYS SG 2.020 . 2.120 2.020 2.019 2.021 . 0 0 "[ . 1 . 2]" 1
2 1 69 CYS SG 1 99 CYS SG 2.020 . 2.120 2.020 2.019 2.021 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 502
_Distance_constraint_stats_list.Viol_count 135
_Distance_constraint_stats_list.Viol_total 38.411
_Distance_constraint_stats_list.Viol_max 0.101
_Distance_constraint_stats_list.Viol_rms 0.0029
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0142
_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 3 VAL 0.264 0.077 18 0 "[ . 1 . 2]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.016 0.011 12 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 12 0 "[ . 1 . 2]"
1 9 TYR 0.006 0.004 9 0 "[ . 1 . 2]"
1 10 GLN 0.004 0.004 9 0 "[ . 1 . 2]"
1 11 VAL 0.098 0.055 11 0 "[ . 1 . 2]"
1 12 ASP 0.004 0.004 8 0 "[ . 1 . 2]"
1 13 GLY 0.004 0.004 8 0 "[ . 1 . 2]"
1 14 LYS 0.124 0.077 11 0 "[ . 1 . 2]"
1 15 LYS 0.063 0.033 2 0 "[ . 1 . 2]"
1 16 VAL 0.115 0.101 18 0 "[ . 1 . 2]"
1 17 ILE 0.014 0.014 5 0 "[ . 1 . 2]"
1 18 LEU 0.205 0.077 18 0 "[ . 1 . 2]"
1 19 ASP 0.006 0.005 3 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASP 0.062 0.024 12 0 "[ . 1 . 2]"
1 22 CYS 0.064 0.024 12 0 "[ . 1 . 2]"
1 23 PHE 0.004 0.004 10 0 "[ . 1 . 2]"
1 24 MET 0.272 0.101 18 0 "[ . 1 . 2]"
1 25 GLN 0.014 0.014 5 0 "[ . 1 . 2]"
1 26 ASN 0.039 0.014 7 0 "[ . 1 . 2]"
1 27 PRO 0.039 0.014 7 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 TRP 0.039 0.009 7 0 "[ . 1 . 2]"
1 31 ASP 0.002 0.002 18 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.236 0.091 1 0 "[ . 1 . 2]"
1 35 ALA 0.126 0.058 10 0 "[ . 1 . 2]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 TRP 0.055 0.055 11 0 "[ . 1 . 2]"
1 38 LEU 0.117 0.062 7 0 "[ . 1 . 2]"
1 39 ALA 0.083 0.083 14 0 "[ . 1 . 2]"
1 40 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.075 0.075 12 0 "[ . 1 . 2]"
1 42 LEU 0.124 0.062 7 0 "[ . 1 . 2]"
1 43 GLU 0.030 0.013 17 0 "[ . 1 . 2]"
1 44 GLY 0.021 0.013 17 0 "[ . 1 . 2]"
1 45 ILE 0.084 0.083 14 0 "[ . 1 . 2]"
1 46 GLN 0.001 0.001 18 0 "[ . 1 . 2]"
1 47 LYS 0.002 0.001 18 0 "[ . 1 . 2]"
1 48 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 THR 0.011 0.006 13 0 "[ . 1 . 2]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 HIS 0.001 0.001 7 0 "[ . 1 . 2]"
1 53 TRP 0.123 0.058 10 0 "[ . 1 . 2]"
1 54 LYS 0.005 0.005 1 0 "[ . 1 . 2]"
1 55 LEU 0.006 0.005 1 0 "[ . 1 . 2]"
1 56 VAL 0.026 0.008 17 0 "[ . 1 . 2]"
1 57 LYS 0.016 0.009 8 0 "[ . 1 . 2]"
1 58 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.006 0.006 6 0 "[ . 1 . 2]"
1 60 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLU 0.013 0.009 8 0 "[ . 1 . 2]"
1 62 TYR 0.008 0.004 19 0 "[ . 1 . 2]"
1 63 TRP 0.002 0.002 4 0 "[ . 1 . 2]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 THR 0.014 0.007 8 0 "[ . 1 . 2]"
1 66 PHE 0.010 0.007 8 0 "[ . 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 THR 0.002 0.002 4 0 "[ . 1 . 2]"
1 70 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ILE 0.138 0.079 16 0 "[ . 1 . 2]"
1 73 LYS 0.029 0.013 9 0 "[ . 1 . 2]"
1 74 MET 0.002 0.002 2 0 "[ . 1 . 2]"
1 75 VAL 0.035 0.015 16 0 "[ . 1 . 2]"
1 76 THR 0.036 0.013 9 0 "[ . 1 . 2]"
1 77 LYS 0.002 0.002 2 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 THR 0.006 0.003 20 0 "[ . 1 . 2]"
1 80 GLY 0.006 0.003 20 0 "[ . 1 . 2]"
1 81 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 SER 0.007 0.004 7 0 "[ . 1 . 2]"
1 83 LEU 0.095 0.079 16 0 "[ . 1 . 2]"
1 84 GLU 0.007 0.004 7 0 "[ . 1 . 2]"
1 85 LYS 0.004 0.004 2 0 "[ . 1 . 2]"
1 86 ILE 0.236 0.048 2 0 "[ . 1 . 2]"
1 87 TYR 0.009 0.003 15 0 "[ . 1 . 2]"
1 88 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 PHE 0.150 0.038 15 0 "[ . 1 . 2]"
1 91 PRO 0.145 0.038 15 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLY 0.003 0.003 15 0 "[ . 1 . 2]"
1 94 PRO 0.232 0.048 2 0 "[ . 1 . 2]"
1 95 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 GLY 0.001 0.001 7 0 "[ . 1 . 2]"
1 98 ALA 0.005 0.005 2 0 "[ . 1 . 2]"
1 99 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 VAL 0.005 0.005 2 0 "[ . 1 . 2]"
1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLY 0.024 0.007 11 0 "[ . 1 . 2]"
1 104 ALA 0.007 0.007 11 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 13 GLY H 1 14 LYS H 1.800 . 3.500 2.896 2.224 3.329 . 0 0 "[ . 1 . 2]" 2
2 1 20 GLU H 1 21 ASP H 1.800 . 5.000 3.254 2.486 4.691 . 0 0 "[ . 1 . 2]" 2
3 1 21 ASP H 1 22 CYS H 1.800 . 4.000 2.829 2.619 3.196 . 0 0 "[ . 1 . 2]" 2
4 1 22 CYS H 1 23 PHE H 1.800 . 3.000 2.906 2.736 2.991 . 0 0 "[ . 1 . 2]" 2
5 1 25 GLN H 1 26 ASN H 1.800 . 3.000 2.586 2.013 2.915 . 0 0 "[ . 1 . 2]" 2
6 1 28 GLU H 1 29 ASP H 1.800 . 3.000 2.629 2.436 2.882 . 0 0 "[ . 1 . 2]" 2
7 1 29 ASP H 1 30 TRP H 1.800 . 3.000 2.645 2.096 2.998 . 0 0 "[ . 1 . 2]" 2
8 1 32 GLU H 1 33 LYS H 1.800 . 3.000 2.734 2.514 2.944 . 0 0 "[ . 1 . 2]" 2
9 1 33 LYS H 1 34 VAL H 1.800 . 3.000 2.707 2.577 2.976 . 0 0 "[ . 1 . 2]" 2
10 1 34 VAL H 1 35 ALA H 1.800 . 3.000 2.787 2.576 2.936 . 0 0 "[ . 1 . 2]" 2
11 1 35 ALA H 1 36 GLU H 1.800 . 3.000 2.846 2.720 2.967 . 0 0 "[ . 1 . 2]" 2
12 1 36 GLU H 1 37 TRP H 1.800 . 3.000 2.780 2.561 2.996 . 0 0 "[ . 1 . 2]" 2
13 1 37 TRP H 1 38 LEU H 1.800 . 3.000 2.802 2.610 2.925 . 0 0 "[ . 1 . 2]" 2
14 1 38 LEU H 1 39 ALA H 1.800 . 3.000 2.773 2.632 2.895 . 0 0 "[ . 1 . 2]" 2
15 1 39 ALA H 1 40 ARG H 1.800 . 3.000 2.706 2.525 2.961 . 0 0 "[ . 1 . 2]" 2
16 1 40 ARG H 1 41 GLU H 1.800 . 3.000 2.633 2.484 2.932 . 0 0 "[ . 1 . 2]" 2
17 1 41 GLU H 1 42 LEU H 1.800 . 3.000 2.621 2.472 2.921 . 0 0 "[ . 1 . 2]" 2
18 1 42 LEU H 1 43 GLU H 1.800 . 3.000 2.744 2.215 3.009 0.009 2 0 "[ . 1 . 2]" 2
19 1 43 GLU H 1 44 GLY H 1.800 . 3.000 2.674 1.941 3.013 0.013 17 0 "[ . 1 . 2]" 2
20 1 44 GLY H 1 45 ILE H 1.800 . 3.000 1.997 1.850 2.522 . 0 0 "[ . 1 . 2]" 2
21 1 46 GLN H 1 47 LYS H 1.800 . 3.000 2.727 2.273 3.001 0.001 18 0 "[ . 1 . 2]" 2
22 1 47 LYS H 1 48 MET H 1.800 . 5.000 4.093 3.500 4.464 . 0 0 "[ . 1 . 2]" 2
23 1 51 GLU H 1 52 HIS H 1.800 . 3.000 2.640 2.496 2.778 . 0 0 "[ . 1 . 2]" 2
24 1 52 HIS H 1 53 TRP H 1.800 . 3.000 2.895 2.744 3.001 0.001 7 0 "[ . 1 . 2]" 2
25 1 53 TRP H 1 54 LYS H 1.800 . 3.000 2.708 2.546 2.899 . 0 0 "[ . 1 . 2]" 2
26 1 54 LYS H 1 55 LEU H 1.800 . 3.000 2.906 2.658 3.005 0.005 1 0 "[ . 1 . 2]" 2
27 1 55 LEU H 1 56 VAL H 1.800 . 3.000 2.829 2.612 3.002 0.002 3 0 "[ . 1 . 2]" 2
28 1 56 VAL H 1 57 LYS H 1.800 . 3.000 2.741 2.580 3.007 0.007 5 0 "[ . 1 . 2]" 2
29 1 57 LYS H 1 58 TYR H 1.800 . 3.000 2.717 2.485 2.908 . 0 0 "[ . 1 . 2]" 2
30 1 58 TYR H 1 59 LEU H 1.800 . 3.000 2.784 2.532 2.971 . 0 0 "[ . 1 . 2]" 2
31 1 59 LEU H 1 60 ARG H 1.800 . 3.000 2.727 2.633 2.868 . 0 0 "[ . 1 . 2]" 2
32 1 60 ARG H 1 61 GLU H 1.800 . 4.000 2.847 2.692 2.995 . 0 0 "[ . 1 . 2]" 2
33 1 61 GLU H 1 62 TYR H 1.800 . 3.000 2.838 2.553 3.003 0.003 6 0 "[ . 1 . 2]" 2
34 1 62 TYR H 1 63 TRP H 1.800 . 3.000 2.624 2.519 2.899 . 0 0 "[ . 1 . 2]" 2
35 1 63 TRP H 1 64 GLU H 1.800 . 4.000 2.653 2.487 2.900 . 0 0 "[ . 1 . 2]" 2
36 1 64 GLU H 1 65 THR H 1.800 . 3.000 2.498 1.983 2.904 . 0 0 "[ . 1 . 2]" 2
37 1 65 THR H 1 66 PHE H 1.800 . 3.000 2.595 2.165 3.007 0.007 8 0 "[ . 1 . 2]" 2
38 1 66 PHE H 1 67 GLY H 1.800 . 4.000 2.354 1.869 3.280 . 0 0 "[ . 1 . 2]" 2
39 1 67 GLY H 1 68 THR H 1.800 . 4.000 2.518 1.865 3.424 . 0 0 "[ . 1 . 2]" 2
40 1 74 MET H 1 75 VAL H 1.800 . 3.000 2.560 2.147 2.828 . 0 0 "[ . 1 . 2]" 2
41 1 75 VAL H 1 76 THR H 1.800 . 3.000 2.634 2.467 2.832 . 0 0 "[ . 1 . 2]" 2
42 1 76 THR H 1 77 LYS H 1.800 . 3.000 2.685 2.507 2.904 . 0 0 "[ . 1 . 2]" 2
43 1 77 LYS H 1 78 GLU H 1.800 . 3.000 2.762 2.481 3.000 . 0 0 "[ . 1 . 2]" 2
44 1 78 GLU H 1 79 THR H 1.800 . 3.000 2.688 2.346 2.976 . 0 0 "[ . 1 . 2]" 2
45 1 79 THR H 1 80 GLY H 1.800 . 3.000 2.631 1.868 3.003 0.003 20 0 "[ . 1 . 2]" 2
46 1 80 GLY H 1 81 PHE H 1.800 . 3.000 2.379 1.877 2.991 . 0 0 "[ . 1 . 2]" 2
47 1 83 LEU H 1 84 GLU H 1.800 . 3.000 2.749 2.529 2.903 . 0 0 "[ . 1 . 2]" 2
48 1 84 GLU H 1 85 LYS H 1.800 . 3.000 2.811 2.570 2.951 . 0 0 "[ . 1 . 2]" 2
49 1 85 LYS H 1 86 ILE H 1.800 . 3.000 2.855 2.709 3.004 0.004 2 0 "[ . 1 . 2]" 2
50 1 86 ILE H 1 87 TYR H 1.800 . 3.000 2.726 2.493 3.001 0.001 11 0 "[ . 1 . 2]" 2
51 1 87 TYR H 1 88 GLN H 1.800 . 3.000 2.646 2.502 2.828 . 0 0 "[ . 1 . 2]" 2
52 1 88 GLN H 1 89 LEU H 1.800 . 3.000 2.619 2.398 2.803 . 0 0 "[ . 1 . 2]" 2
53 1 89 LEU H 1 90 PHE H 1.800 . 3.000 2.654 2.210 2.927 . 0 0 "[ . 1 . 2]" 2
54 1 92 SER H 1 93 GLY H 1.800 . 5.000 3.081 2.028 4.247 . 0 0 "[ . 1 . 2]" 2
55 1 96 HIS H 1 97 GLY H 1.800 . 5.000 2.638 2.484 2.920 . 0 0 "[ . 1 . 2]" 2
56 1 97 GLY H 1 98 ALA H 1.800 . 4.000 3.013 2.688 3.441 . 0 0 "[ . 1 . 2]" 2
57 1 98 ALA H 1 99 CYS H 1.800 . 4.000 2.970 2.843 3.174 . 0 0 "[ . 1 . 2]" 2
58 1 99 CYS H 1 100 LYS H 1.800 . 4.000 2.875 2.649 3.189 . 0 0 "[ . 1 . 2]" 2
59 1 100 LYS H 1 101 VAL H 1.800 . 4.000 2.907 2.715 3.070 . 0 0 "[ . 1 . 2]" 2
60 1 101 VAL H 1 102 ALA H 1.800 . 4.000 2.737 2.540 3.058 . 0 0 "[ . 1 . 2]" 2
61 1 103 GLY H 1 104 ALA H 1.800 . 3.000 2.620 2.184 3.007 0.007 11 0 "[ . 1 . 2]" 2
62 1 7 GLY H 1 18 LEU H 1.800 . 3.500 3.187 2.796 3.511 0.011 12 0 "[ . 1 . 2]" 2
63 1 9 TYR H 1 16 VAL H 1.800 . 3.500 3.311 3.028 3.502 0.002 3 0 "[ . 1 . 2]" 2
64 1 11 VAL H 1 14 LYS H 1.800 . 3.500 2.990 2.102 3.513 0.013 15 0 "[ . 1 . 2]" 2
65 1 19 ASP H 1 22 CYS H 1.800 . 5.000 4.491 3.863 5.005 0.005 3 0 "[ . 1 . 2]" 2
66 1 19 ASP H 1 23 PHE H 1.800 . 4.000 2.639 2.290 2.992 . 0 0 "[ . 1 . 2]" 2
67 1 17 ILE H 1 26 ASN H 1.800 . 5.000 4.610 4.226 4.942 . 0 0 "[ . 1 . 2]" 2
68 1 31 ASP H 1 34 VAL H 1.800 . 4.000 3.603 3.157 4.000 . 0 0 "[ . 1 . 2]" 2
69 1 31 ASP H 1 35 ALA H 1.800 . 4.000 3.281 2.841 4.002 0.002 18 0 "[ . 1 . 2]" 2
70 1 49 THR H 1 52 HIS H 1.800 . 4.000 3.857 3.675 3.998 . 0 0 "[ . 1 . 2]" 2
71 1 49 THR H 1 53 TRP H 1.800 . 5.000 4.680 3.950 5.006 0.006 13 0 "[ . 1 . 2]" 2
72 1 66 PHE H 1 68 THR H 1.800 . 5.000 4.344 3.212 4.976 . 0 0 "[ . 1 . 2]" 2
73 1 8 GLU HA 1 9 TYR H 1.800 . 2.500 2.286 2.208 2.500 0.000 12 0 "[ . 1 . 2]" 2
74 1 9 TYR HA 1 10 GLN H 1.800 . 2.500 2.393 2.273 2.504 0.004 9 0 "[ . 1 . 2]" 2
75 1 10 GLN HA 1 11 VAL H 1.800 . 2.500 2.253 2.209 2.356 . 0 0 "[ . 1 . 2]" 2
76 1 11 VAL HA 1 12 ASP H 1.800 . 3.000 2.257 2.206 2.315 . 0 0 "[ . 1 . 2]" 2
77 1 14 LYS HA 1 15 LYS H 1.800 . 2.500 2.412 2.272 2.533 0.033 2 0 "[ . 1 . 2]" 2
78 1 15 LYS HA 1 16 VAL H 1.800 . 2.500 2.237 2.208 2.300 . 0 0 "[ . 1 . 2]" 2
79 1 16 VAL HA 1 17 ILE H 1.800 . 2.500 2.244 2.211 2.408 . 0 0 "[ . 1 . 2]" 2
80 1 17 ILE HA 1 18 LEU H 1.800 . 2.500 2.270 2.212 2.434 . 0 0 "[ . 1 . 2]" 2
81 1 18 LEU HA 1 19 ASP H 1.800 . 2.500 2.220 2.211 2.236 . 0 0 "[ . 1 . 2]" 2
82 1 30 TRP HA 1 31 ASP H 1.800 . 3.000 2.301 2.209 2.421 . 0 0 "[ . 1 . 2]" 2
83 1 45 ILE HA 1 46 GLN H 1.800 . 2.500 2.280 2.210 2.438 . 0 0 "[ . 1 . 2]" 2
84 1 47 LYS HA 1 48 MET H 1.800 . 3.000 2.246 2.209 2.337 . 0 0 "[ . 1 . 2]" 2
85 1 48 MET HA 1 49 THR H 1.800 . 3.000 2.236 2.210 2.355 . 0 0 "[ . 1 . 2]" 2
86 1 81 PHE HA 1 82 SER H 1.800 . 3.000 2.322 2.210 2.786 . 0 0 "[ . 1 . 2]" 2
87 1 82 SER HA 1 83 LEU H 1.800 . 3.000 2.253 2.213 2.306 . 0 0 "[ . 1 . 2]" 2
88 1 26 ASN HA 1 27 PRO HD3 1.800 . 4.000 3.005 2.801 3.225 . 0 0 "[ . 1 . 2]" 2
89 1 26 ASN HA 1 27 PRO HD2 1.800 . 4.000 2.269 2.130 2.461 . 0 0 "[ . 1 . 2]" 2
90 1 26 ASN H 1 27 PRO HD3 1.800 . 4.000 2.758 2.348 3.145 . 0 0 "[ . 1 . 2]" 2
91 1 26 ASN H 1 27 PRO HD2 1.800 . 4.000 3.768 3.443 4.014 0.014 7 0 "[ . 1 . 2]" 2
92 1 27 PRO HD3 1 28 GLU H 1.800 . 4.000 3.847 3.777 3.940 . 0 0 "[ . 1 . 2]" 2
93 1 27 PRO HD2 1 28 GLU H 1.800 . 4.000 2.661 2.521 2.845 . 0 0 "[ . 1 . 2]" 2
94 1 90 PHE H 1 91 PRO HD3 1.800 . 5.000 4.496 3.454 5.038 0.038 15 0 "[ . 1 . 2]" 2
95 1 90 PHE H 1 91 PRO HD2 1.800 . 5.000 4.706 4.305 4.927 . 0 0 "[ . 1 . 2]" 2
96 1 90 PHE HA 1 91 PRO HD3 1.800 . 5.000 2.334 2.158 2.689 . 0 0 "[ . 1 . 2]" 2
97 1 90 PHE HA 1 91 PRO HD2 1.800 . 5.000 2.345 1.983 2.761 . 0 0 "[ . 1 . 2]" 2
98 1 26 ASN HA 1 28 GLU H 1.800 . 4.000 3.114 2.981 3.380 . 0 0 "[ . 1 . 2]" 2
99 1 45 ILE HA 1 47 LYS H 1.800 . 4.000 3.649 3.249 4.001 0.001 2 0 "[ . 1 . 2]" 2
100 1 82 SER HA 1 84 GLU H 1.800 . 4.000 3.947 3.794 4.004 0.004 7 0 "[ . 1 . 2]" 2
101 1 32 GLU HA 1 35 ALA H 1.800 . 4.000 3.799 3.551 3.981 . 0 0 "[ . 1 . 2]" 2
102 1 33 LYS HA 1 36 GLU H 1.800 . 4.000 3.815 3.534 3.999 . 0 0 "[ . 1 . 2]" 2
103 1 34 VAL HA 1 37 TRP H 1.800 . 4.000 3.685 3.274 3.995 . 0 0 "[ . 1 . 2]" 2
104 1 35 ALA HA 1 38 LEU H 1.800 . 4.000 3.715 3.367 4.003 0.003 1 0 "[ . 1 . 2]" 2
105 1 36 GLU HA 1 39 ALA H 1.800 . 4.000 3.650 3.377 3.954 . 0 0 "[ . 1 . 2]" 2
106 1 37 TRP HA 1 40 ARG H 1.800 . 4.000 3.622 3.375 3.886 . 0 0 "[ . 1 . 2]" 2
107 1 38 LEU HA 1 41 GLU H 1.800 . 4.000 3.602 3.325 3.936 . 0 0 "[ . 1 . 2]" 2
108 1 39 ALA HA 1 42 LEU H 1.800 . 4.000 3.667 3.375 3.971 . 0 0 "[ . 1 . 2]" 2
109 1 50 GLU HA 1 53 TRP H 1.800 . 4.000 3.844 3.652 3.994 . 0 0 "[ . 1 . 2]" 2
110 1 51 GLU HA 1 54 LYS H 1.800 . 4.000 3.535 3.231 3.806 . 0 0 "[ . 1 . 2]" 2
111 1 53 TRP HA 1 56 VAL H 1.800 . 4.000 3.746 3.394 3.978 . 0 0 "[ . 1 . 2]" 2
112 1 54 LYS HA 1 57 LYS H 1.800 . 4.000 3.660 3.378 3.996 . 0 0 "[ . 1 . 2]" 2
113 1 56 VAL HA 1 59 LEU H 1.800 . 4.000 3.716 3.413 4.006 0.006 6 0 "[ . 1 . 2]" 2
114 1 57 LYS HA 1 60 ARG H 1.800 . 4.000 3.565 3.395 3.863 . 0 0 "[ . 1 . 2]" 2
115 1 58 TYR HA 1 61 GLU H 1.800 . 4.000 3.728 3.471 3.959 . 0 0 "[ . 1 . 2]" 2
116 1 59 LEU HA 1 62 TYR H 1.800 . 4.000 3.554 3.295 3.954 . 0 0 "[ . 1 . 2]" 2
117 1 60 ARG HA 1 63 TRP H 1.800 . 4.000 3.393 3.117 3.805 . 0 0 "[ . 1 . 2]" 2
118 1 61 GLU HA 1 64 GLU H 1.800 . 4.000 3.739 3.365 3.984 . 0 0 "[ . 1 . 2]" 2
119 1 62 TYR HA 1 65 THR H 1.800 . 4.000 3.618 3.269 4.004 0.004 19 0 "[ . 1 . 2]" 2
120 1 72 ILE HA 1 75 VAL H 1.800 . 4.000 3.635 3.152 4.015 0.015 16 0 "[ . 1 . 2]" 2
121 1 73 LYS HA 1 76 THR H 1.800 . 4.000 3.916 3.634 4.013 0.013 9 0 "[ . 1 . 2]" 2
122 1 74 MET HA 1 77 LYS H 1.800 . 4.000 3.562 3.277 4.002 0.002 2 0 "[ . 1 . 2]" 2
123 1 83 LEU HA 1 86 ILE H 1.800 . 4.000 3.595 3.287 3.822 . 0 0 "[ . 1 . 2]" 2
124 1 84 GLU HA 1 87 TYR H 1.800 . 4.000 3.563 3.160 3.969 . 0 0 "[ . 1 . 2]" 2
125 1 85 LYS HA 1 88 GLN H 1.800 . 4.000 3.521 3.262 3.887 . 0 0 "[ . 1 . 2]" 2
126 1 86 ILE HA 1 89 LEU H 1.800 . 4.000 3.576 3.286 3.986 . 0 0 "[ . 1 . 2]" 2
127 1 87 TYR HA 1 90 PHE H 1.800 . 4.000 3.810 3.281 4.003 0.003 15 0 "[ . 1 . 2]" 2
128 1 94 PRO HA 1 97 GLY H 1.800 . 4.000 3.748 3.345 4.001 0.001 7 0 "[ . 1 . 2]" 2
129 1 98 ALA HA 1 101 VAL H 1.800 . 4.000 3.792 3.498 4.005 0.005 2 0 "[ . 1 . 2]" 2
130 1 99 CYS HA 1 102 ALA H 1.800 . 4.000 3.499 3.159 3.909 . 0 0 "[ . 1 . 2]" 2
131 1 32 GLU HA 1 36 GLU H 1.800 . 5.000 4.109 3.724 4.446 . 0 0 "[ . 1 . 2]" 2
132 1 34 VAL HA 1 38 LEU H 1.800 . 5.000 4.246 3.767 4.508 . 0 0 "[ . 1 . 2]" 2
133 1 37 TRP HA 1 41 GLU H 1.800 . 5.000 4.196 4.005 4.389 . 0 0 "[ . 1 . 2]" 2
134 1 50 GLU HA 1 54 LYS H 1.800 . 5.000 4.301 4.060 4.672 . 0 0 "[ . 1 . 2]" 2
135 1 51 GLU HA 1 55 LEU H 1.800 . 5.000 4.022 3.836 4.381 . 0 0 "[ . 1 . 2]" 2
136 1 56 VAL HA 1 60 ARG H 1.800 . 5.000 4.327 3.921 4.651 . 0 0 "[ . 1 . 2]" 2
137 1 57 LYS HA 1 61 GLU H 1.800 . 5.000 4.637 4.060 5.009 0.009 8 0 "[ . 1 . 2]" 2
138 1 59 LEU HA 1 63 TRP H 1.800 . 5.000 4.441 4.213 4.604 . 0 0 "[ . 1 . 2]" 2
139 1 63 TRP HA 1 67 GLY H 1.800 . 5.000 2.952 2.236 4.254 . 0 0 "[ . 1 . 2]" 2
140 1 72 ILE HA 1 76 THR H 1.800 . 5.000 4.408 4.053 5.005 0.005 2 0 "[ . 1 . 2]" 2
141 1 76 THR HA 1 80 GLY H 1.800 . 5.000 2.642 2.017 4.973 . 0 0 "[ . 1 . 2]" 2
142 1 83 LEU HA 1 87 TYR H 1.800 . 5.000 4.270 4.073 4.475 . 0 0 "[ . 1 . 2]" 2
143 1 94 PRO HA 1 98 ALA H 1.800 . 5.000 2.784 2.010 3.323 . 0 0 "[ . 1 . 2]" 2
144 1 98 ALA HA 1 102 ALA H 1.800 . 5.000 4.269 3.937 4.527 . 0 0 "[ . 1 . 2]" 2
145 1 99 CYS HA 1 103 GLY H 1.800 . 5.000 4.355 4.073 4.489 . 0 0 "[ . 1 . 2]" 2
146 1 6 PRO QB 1 7 GLY H 1.800 . 5.000 2.781 2.368 3.077 . 0 0 "[ . 1 . 2]" 2
147 1 9 TYR QB 1 10 GLN H 1.800 . 4.000 2.737 2.436 3.028 . 0 0 "[ . 1 . 2]" 2
148 1 10 GLN QB 1 11 VAL H 1.800 . 5.000 3.384 2.766 3.849 . 0 0 "[ . 1 . 2]" 2
149 1 12 ASP QB 1 13 GLY H 1.800 . 5.000 3.015 1.796 4.070 0.004 8 0 "[ . 1 . 2]" 2
150 1 19 ASP QB 1 20 GLU H 1.800 . 5.000 2.301 1.903 3.007 . 0 0 "[ . 1 . 2]" 2
151 1 28 GLU QB 1 29 ASP H 1.800 . 5.000 2.935 2.352 3.717 . 0 0 "[ . 1 . 2]" 2
152 1 31 ASP QB 1 32 GLU H 1.800 . 5.000 2.360 1.864 2.817 . 0 0 "[ . 1 . 2]" 2
153 1 32 GLU QB 1 33 LYS H 1.800 . 5.000 2.405 2.106 3.317 . 0 0 "[ . 1 . 2]" 2
154 1 35 ALA MB 1 36 GLU H 1.800 . 5.000 2.458 2.186 2.796 . 0 0 "[ . 1 . 2]" 2
155 1 37 TRP QB 1 38 LEU H 1.800 . 5.000 2.492 2.111 2.756 . 0 0 "[ . 1 . 2]" 2
156 1 39 ALA MB 1 40 ARG H 1.800 . 4.000 2.676 2.447 2.801 . 0 0 "[ . 1 . 2]" 2
157 1 40 ARG QB 1 41 GLU H 1.800 . 5.000 2.438 1.976 2.771 . 0 0 "[ . 1 . 2]" 2
158 1 42 LEU QB 1 43 GLU H 1.800 . 5.000 2.244 1.926 3.277 . 0 0 "[ . 1 . 2]" 2
159 1 46 GLN QB 1 47 LYS H 1.800 . 5.000 2.760 2.365 3.478 . 0 0 "[ . 1 . 2]" 2
160 1 51 GLU QB 1 52 HIS H 1.800 . 5.000 2.598 2.392 2.842 . 0 0 "[ . 1 . 2]" 2
161 1 52 HIS QB 1 53 TRP H 1.800 . 5.000 2.338 2.146 2.599 . 0 0 "[ . 1 . 2]" 2
162 1 53 TRP QB 1 54 LYS H 1.800 . 5.000 2.757 2.450 2.856 . 0 0 "[ . 1 . 2]" 2
163 1 54 LYS QB 1 55 LEU H 1.800 . 5.000 2.208 1.880 2.509 . 0 0 "[ . 1 . 2]" 2
164 1 55 LEU QB 1 56 VAL H 1.800 . 5.000 2.427 2.042 2.731 . 0 0 "[ . 1 . 2]" 2
165 1 57 LYS QB 1 58 TYR H 1.800 . 5.000 2.381 2.023 2.813 . 0 0 "[ . 1 . 2]" 2
166 1 58 TYR QB 1 59 LEU H 1.800 . 5.000 2.534 2.076 2.716 . 0 0 "[ . 1 . 2]" 2
167 1 61 GLU QB 1 62 TYR H 1.800 . 5.000 2.461 2.077 2.885 . 0 0 "[ . 1 . 2]" 2
168 1 62 TYR QB 1 63 TRP H 1.800 . 5.000 2.653 2.415 2.823 . 0 0 "[ . 1 . 2]" 2
169 1 65 THR HB 1 66 PHE H 1.800 . 3.000 2.377 1.868 2.994 . 0 0 "[ . 1 . 2]" 2
170 1 73 LYS QB 1 74 MET H 1.800 . 5.000 2.314 1.857 3.707 . 0 0 "[ . 1 . 2]" 2
171 1 75 VAL HB 1 76 THR H 1.800 . 3.000 2.541 2.157 2.812 . 0 0 "[ . 1 . 2]" 2
172 1 81 PHE QB 1 82 SER H 1.800 . 5.000 3.326 1.993 3.873 . 0 0 "[ . 1 . 2]" 2
173 1 83 LEU QB 1 84 GLU H 1.800 . 5.000 2.715 2.537 2.829 . 0 0 "[ . 1 . 2]" 2
174 1 85 LYS QB 1 86 ILE H 1.800 . 5.000 2.409 2.150 2.747 . 0 0 "[ . 1 . 2]" 2
175 1 87 TYR QB 1 88 GLN H 1.800 . 5.000 2.607 2.309 2.801 . 0 0 "[ . 1 . 2]" 2
176 1 89 LEU QB 1 90 PHE H 1.800 . 5.000 2.496 2.080 3.229 . 0 0 "[ . 1 . 2]" 2
177 1 99 CYS QB 1 100 LYS H 1.800 . 5.000 2.254 1.945 2.453 . 0 0 "[ . 1 . 2]" 2
178 1 28 GLU QG 1 29 ASP H 1.800 . 5.000 3.941 1.871 4.526 . 0 0 "[ . 1 . 2]" 2
179 1 34 VAL MG1 1 35 ALA H 1.800 . 5.000 3.102 2.743 3.599 . 0 0 "[ . 1 . 2]" 2
180 1 34 VAL MG2 1 35 ALA H 1.800 . 5.000 3.731 3.576 3.880 . 0 0 "[ . 1 . 2]" 2
181 1 40 ARG QD 1 41 GLU H 1.800 . 6.000 3.497 2.450 4.249 . 0 0 "[ . 1 . 2]" 2
182 1 42 LEU MD1 1 43 GLU H 1.800 . 6.000 4.239 3.773 4.647 . 0 0 "[ . 1 . 2]" 2
183 1 42 LEU MD2 1 43 GLU H 1.800 . 6.000 4.126 3.509 4.949 . 0 0 "[ . 1 . 2]" 2
184 1 43 GLU QG 1 44 GLY H 1.800 . 6.000 4.011 2.778 4.763 . 0 0 "[ . 1 . 2]" 2
185 1 45 ILE MG 1 46 GLN H 1.800 . 6.000 3.234 2.684 3.743 . 0 0 "[ . 1 . 2]" 2
186 1 46 GLN QG 1 47 LYS H 1.800 . 5.000 4.028 1.880 4.468 . 0 0 "[ . 1 . 2]" 2
187 1 54 LYS QG 1 55 LEU H 1.800 . 6.000 3.992 3.218 4.221 . 0 0 "[ . 1 . 2]" 2
188 1 57 LYS QG 1 58 TYR H 1.800 . 6.000 3.906 3.207 4.520 . 0 0 "[ . 1 . 2]" 2
189 1 65 THR MG 1 66 PHE H 1.800 . 6.000 3.485 2.468 4.027 . 0 0 "[ . 1 . 2]" 2
190 1 75 VAL QG 1 76 THR H 1.800 . 6.400 3.171 2.755 3.356 . 0 0 "[ . 1 . 2]" 2
191 1 78 GLU QG 1 79 THR H 1.800 . 6.000 4.125 2.936 4.630 . 0 0 "[ . 1 . 2]" 2
192 1 85 LYS QE 1 86 ILE H 1.800 . 6.000 4.909 4.266 5.349 . 0 0 "[ . 1 . 2]" 2
193 1 86 ILE MG 1 87 TYR H 1.800 . 5.000 3.418 3.155 3.716 . 0 0 "[ . 1 . 2]" 2
194 1 45 ILE MG 1 47 LYS H 1.800 . 5.500 2.376 1.862 3.325 . 0 0 "[ . 1 . 2]" 2
195 1 66 PHE QB 1 68 THR H 1.800 . 6.000 3.700 2.392 4.833 . 0 0 "[ . 1 . 2]" 2
196 1 79 THR HB 1 81 PHE H 1.800 . 5.000 3.088 2.331 4.553 . 0 0 "[ . 1 . 2]" 2
197 1 95 ALA MB 1 97 GLY H 1.800 . 6.000 3.669 2.989 4.103 . 0 0 "[ . 1 . 2]" 2
198 1 32 GLU HA 1 35 ALA MB 1.800 . 5.000 3.059 2.747 3.395 . 0 0 "[ . 1 . 2]" 2
199 1 33 LYS HA 1 36 GLU QB 1.800 . 5.000 2.804 2.461 3.198 . 0 0 "[ . 1 . 2]" 2
200 1 36 GLU HA 1 39 ALA MB 1.800 . 5.000 2.792 2.325 3.303 . 0 0 "[ . 1 . 2]" 2
201 1 50 GLU HA 1 53 TRP QB 1.800 . 5.000 3.103 2.862 3.424 . 0 0 "[ . 1 . 2]" 2
202 1 72 ILE HA 1 75 VAL HB 1.800 . 4.000 2.875 1.915 3.706 . 0 0 "[ . 1 . 2]" 2
203 1 85 LYS HA 1 88 GLN QB 1.800 . 5.000 2.881 2.384 3.440 . 0 0 "[ . 1 . 2]" 2
204 1 99 CYS HA 1 102 ALA MB 1.800 . 5.000 2.666 2.208 3.407 . 0 0 "[ . 1 . 2]" 2
205 1 35 ALA HA 1 38 LEU MD1 1.800 . 6.000 3.384 2.419 4.345 . 0 0 "[ . 1 . 2]" 2
206 1 53 TRP HA 1 56 VAL MG1 1.800 . 6.000 3.617 3.139 4.085 . 0 0 "[ . 1 . 2]" 2
207 1 53 TRP HA 1 56 VAL MG2 1.800 . 6.000 3.141 2.295 3.524 . 0 0 "[ . 1 . 2]" 2
208 1 56 VAL HA 1 59 LEU MD1 1.800 . 6.000 3.732 2.492 4.901 . 0 0 "[ . 1 . 2]" 2
209 1 83 LEU HA 1 86 ILE MD 1.800 . 6.000 2.571 1.851 4.527 . 0 0 "[ . 1 . 2]" 2
210 1 8 GLU HA 1 18 LEU H 1.800 . 4.000 3.089 2.713 3.606 . 0 0 "[ . 1 . 2]" 2
211 1 10 GLN HA 1 16 VAL H 1.800 . 4.000 3.226 2.812 3.594 . 0 0 "[ . 1 . 2]" 2
212 1 11 VAL H 1 15 LYS HA 1.800 . 4.000 3.835 3.495 4.014 0.014 4 0 "[ . 1 . 2]" 2
213 1 9 TYR H 1 17 ILE HA 1.800 . 4.000 3.627 3.130 3.974 . 0 0 "[ . 1 . 2]" 2
214 1 18 LEU HA 1 25 GLN H 1.800 . 5.000 4.138 3.520 4.778 . 0 0 "[ . 1 . 2]" 2
215 1 19 ASP H 1 22 CYS HA 1.800 . 5.000 3.959 3.318 4.380 . 0 0 "[ . 1 . 2]" 2
216 1 21 ASP H 1 22 CYS HA 1.800 . 5.000 4.879 4.596 5.024 0.024 12 0 "[ . 1 . 2]" 2
217 1 30 TRP HA 1 35 ALA H 1.800 . 5.000 4.925 4.539 5.009 0.009 7 0 "[ . 1 . 2]" 2
218 1 87 TYR HA 1 93 GLY H 1.800 . 5.000 4.382 3.398 5.003 0.003 15 0 "[ . 1 . 2]" 2
219 1 99 CYS HA 1 104 ALA H 1.800 . 5.000 4.568 3.911 4.998 . 0 0 "[ . 1 . 2]" 2
220 1 8 GLU HA 1 17 ILE HA 1.800 . 3.000 2.406 2.035 2.815 . 0 0 "[ . 1 . 2]" 2
221 1 18 LEU HA 1 24 MET HA 1.800 . 5.000 3.441 2.411 3.801 . 0 0 "[ . 1 . 2]" 2
222 1 7 GLY H 1 18 LEU QB 1.800 . 6.000 2.370 1.999 2.858 . 0 0 "[ . 1 . 2]" 2
223 1 11 VAL H 1 14 LYS QB 1.800 . 5.000 2.894 1.857 4.198 . 0 0 "[ . 1 . 2]" 2
224 1 11 VAL MG2 1 16 VAL H 1.800 . 6.000 4.287 3.549 4.828 . 0 0 "[ . 1 . 2]" 2
225 1 17 ILE H 1 26 ASN QD 1.800 . 6.000 4.188 2.637 5.051 . 0 0 "[ . 1 . 2]" 2
226 1 18 LEU MD1 1 22 CYS H 1.800 . 6.000 4.770 4.658 4.876 . 0 0 "[ . 1 . 2]" 2
227 1 18 LEU MD2 1 22 CYS H 1.800 . 6.000 4.155 3.745 4.698 . 0 0 "[ . 1 . 2]" 2
228 1 18 LEU MD2 1 25 GLN H 1.800 . 6.000 4.363 3.681 4.854 . 0 0 "[ . 1 . 2]" 2
229 1 26 ASN QD 1 29 ASP H 1.800 . 6.000 4.283 3.269 5.222 . 0 0 "[ . 1 . 2]" 2
230 1 31 ASP H 1 34 VAL HB 1.800 . 4.000 1.963 1.871 2.307 . 0 0 "[ . 1 . 2]" 2
231 1 31 ASP H 1 34 VAL MG1 1.800 . 6.000 2.942 2.351 3.396 . 0 0 "[ . 1 . 2]" 2
232 1 31 ASP H 1 34 VAL MG2 1.800 . 6.000 2.759 2.030 3.534 . 0 0 "[ . 1 . 2]" 2
233 1 36 GLU H 1 48 MET ME 1.800 . 6.000 4.673 4.170 5.025 . 0 0 "[ . 1 . 2]" 2
234 1 11 VAL MG1 1 37 TRP H 1.800 . 6.000 4.457 3.271 4.948 . 0 0 "[ . 1 . 2]" 2
235 1 44 GLY H 1 45 ILE MD 1.800 . 6.000 3.835 2.701 4.711 . 0 0 "[ . 1 . 2]" 2
236 1 44 GLY H 1 45 ILE QG 1.800 . 6.000 3.305 2.394 4.385 . 0 0 "[ . 1 . 2]" 2
237 1 39 ALA MB 1 45 ILE H 1.800 . 6.000 3.932 3.121 4.672 . 0 0 "[ . 1 . 2]" 2
238 1 45 ILE MG 1 48 MET H 1.800 . 6.000 3.292 2.748 3.918 . 0 0 "[ . 1 . 2]" 2
239 1 45 ILE MG 1 49 THR H 1.800 . 6.000 3.392 2.633 4.053 . 0 0 "[ . 1 . 2]" 2
240 1 49 THR H 1 52 HIS QB 1.800 . 6.000 2.629 2.260 3.038 . 0 0 "[ . 1 . 2]" 2
241 1 51 GLU H 1 89 LEU MD1 1.800 . 6.000 4.580 4.101 4.837 . 0 0 "[ . 1 . 2]" 2
242 1 51 GLU H 1 89 LEU MD2 1.800 . 6.000 4.541 3.702 4.840 . 0 0 "[ . 1 . 2]" 2
243 1 48 MET ME 1 52 HIS H 1.800 . 6.000 4.745 4.381 4.921 . 0 0 "[ . 1 . 2]" 2
244 1 52 HIS H 1 89 LEU MD1 1.800 . 6.000 3.996 3.307 4.717 . 0 0 "[ . 1 . 2]" 2
245 1 52 HIS H 1 89 LEU MD2 1.800 . 6.000 3.769 2.709 4.541 . 0 0 "[ . 1 . 2]" 2
246 1 48 MET ME 1 53 TRP H 1.800 . 6.000 3.326 2.950 3.940 . 0 0 "[ . 1 . 2]" 2
247 1 60 ARG H 1 102 ALA MB 1.800 . 6.000 4.233 3.290 4.912 . 0 0 "[ . 1 . 2]" 2
248 1 78 GLU H 1 79 THR MG 1.800 . 6.000 4.631 3.543 5.070 . 0 0 "[ . 1 . 2]" 2
249 1 82 SER H 1 85 LYS QB 1.800 . 6.000 3.340 2.374 3.906 . 0 0 "[ . 1 . 2]" 2
250 1 82 SER H 1 85 LYS QG 1.800 . 6.000 4.676 3.924 5.393 . 0 0 "[ . 1 . 2]" 2
251 1 90 PHE QB 1 93 GLY H 1.800 . 6.000 3.602 2.917 4.867 . 0 0 "[ . 1 . 2]" 2
252 1 86 ILE MG 1 93 GLY H 1.800 . 6.000 4.711 3.936 4.977 . 0 0 "[ . 1 . 2]" 2
253 1 90 PHE QB 1 98 ALA H 1.800 . 6.000 4.981 4.161 5.393 . 0 0 "[ . 1 . 2]" 2
254 1 59 LEU MD1 1 99 CYS H 1.800 . 6.000 4.276 3.210 4.774 . 0 0 "[ . 1 . 2]" 2
255 1 8 GLU HA 1 17 ILE MG 1.800 . 6.000 4.044 3.531 4.846 . 0 0 "[ . 1 . 2]" 2
256 1 16 VAL HA 1 24 MET ME 1.800 . 5.000 3.601 3.020 4.095 . 0 0 "[ . 1 . 2]" 2
257 1 16 VAL HA 1 26 ASN QD 1.800 . 6.000 3.476 2.087 5.139 . 0 0 "[ . 1 . 2]" 2
258 1 6 PRO QB 1 19 ASP HA 1.800 . 6.000 2.605 1.988 3.190 . 0 0 "[ . 1 . 2]" 2
259 1 18 LEU MD2 1 24 MET HA 1.800 . 5.000 2.932 2.146 3.589 . 0 0 "[ . 1 . 2]" 2
260 1 30 TRP HA 1 34 VAL MG1 1.800 . 6.000 2.562 2.033 2.961 . 0 0 "[ . 1 . 2]" 2
261 1 30 TRP HA 1 34 VAL MG2 1.800 . 6.000 3.190 2.314 3.960 . 0 0 "[ . 1 . 2]" 2
262 1 24 MET ME 1 30 TRP HA 1.800 . 5.000 3.404 2.727 3.969 . 0 0 "[ . 1 . 2]" 2
263 1 11 VAL MG1 1 34 VAL HA 1.800 . 5.000 2.957 2.035 3.542 . 0 0 "[ . 1 . 2]" 2
264 1 36 GLU HA 1 48 MET ME 1.800 . 5.000 3.726 3.159 4.155 . 0 0 "[ . 1 . 2]" 2
265 1 39 ALA HA 1 101 VAL MG2 1.800 . 6.000 3.958 2.940 4.896 . 0 0 "[ . 1 . 2]" 2
266 1 39 ALA HA 1 45 ILE MD 1.800 . 6.000 3.894 3.179 4.639 . 0 0 "[ . 1 . 2]" 2
267 1 45 ILE MG 1 48 MET HA 1.800 . 6.000 2.371 1.890 2.678 . 0 0 "[ . 1 . 2]" 2
268 1 48 MET ME 1 53 TRP HA 1.800 . 6.000 3.095 2.677 3.755 . 0 0 "[ . 1 . 2]" 2
269 1 55 LEU HA 1 79 THR MG 1.800 . 6.000 4.567 4.086 4.938 . 0 0 "[ . 1 . 2]" 2
270 1 56 VAL HA 1 102 ALA MB 1.800 . 6.000 3.667 2.704 4.634 . 0 0 "[ . 1 . 2]" 2
271 1 76 THR MG 1 82 SER HA 1.800 . 6.000 3.907 3.109 4.821 . 0 0 "[ . 1 . 2]" 2
272 1 45 ILE MD 1 90 PHE HA 1.800 . 6.000 4.590 3.673 4.960 . 0 0 "[ . 1 . 2]" 2
273 1 86 ILE MG 1 94 PRO HA 1.800 . 6.000 3.735 3.056 4.628 . 0 0 "[ . 1 . 2]" 2
274 1 94 PRO HA 1 98 ALA MB 1.800 . 5.000 3.290 2.033 4.007 . 0 0 "[ . 1 . 2]" 2
275 1 59 LEU MD1 1 99 CYS HA 1.800 . 6.000 4.121 3.029 4.787 . 0 0 "[ . 1 . 2]" 2
276 1 38 LEU MD1 1 101 VAL HA 1.800 . 6.000 3.862 2.251 4.771 . 0 0 "[ . 1 . 2]" 2
277 1 56 VAL MG1 1 102 ALA HA 1.800 . 6.000 2.707 1.959 3.990 . 0 0 "[ . 1 . 2]" 2
278 1 35 ALA MB 1 102 ALA HA 1.800 . 6.000 4.185 3.606 4.675 . 0 0 "[ . 1 . 2]" 2
279 1 3 VAL MG1 1 18 LEU MD1 1.800 . 7.000 2.711 1.723 4.780 0.077 18 0 "[ . 1 . 2]" 2
280 1 3 VAL MG2 1 18 LEU MD1 1.800 . 7.000 3.139 1.783 4.437 0.017 2 0 "[ . 1 . 2]" 2
281 1 3 VAL MG1 1 41 GLU QB 1.800 . 7.000 3.884 1.955 5.128 . 0 0 "[ . 1 . 2]" 2
282 1 3 VAL MG2 1 41 GLU QB 1.800 . 7.000 2.880 1.725 4.284 0.075 12 0 "[ . 1 . 2]" 2
283 1 3 VAL MG2 1 42 LEU MD1 1.800 . 7.000 4.117 2.789 4.735 . 0 0 "[ . 1 . 2]" 2
284 1 9 TYR QB 1 16 VAL HB 1.800 . 6.000 3.207 2.683 3.807 . 0 0 "[ . 1 . 2]" 2
285 1 11 VAL MG1 1 33 LYS QB 1.800 . 6.000 3.428 2.266 3.992 . 0 0 "[ . 1 . 2]" 2
286 1 11 VAL MG1 1 33 LYS QG 1.800 . 6.000 3.535 2.510 4.462 . 0 0 "[ . 1 . 2]" 2
287 1 11 VAL MG1 1 33 LYS QD 1.800 . 6.000 3.612 2.584 4.334 . 0 0 "[ . 1 . 2]" 2
288 1 11 VAL MG1 1 37 TRP QB 1.800 . 6.000 2.605 1.745 3.057 0.055 11 0 "[ . 1 . 2]" 2
289 1 11 VAL MG2 1 16 VAL MG2 1.800 . 6.000 2.302 1.855 3.052 . 0 0 "[ . 1 . 2]" 2
290 1 11 VAL MG2 1 16 VAL HB 1.800 . 5.000 3.224 2.844 3.813 . 0 0 "[ . 1 . 2]" 2
291 1 17 ILE MG 1 25 GLN QB 1.800 . 7.000 2.792 1.786 3.971 0.014 5 0 "[ . 1 . 2]" 2
292 1 17 ILE MG 1 25 GLN QG 1.800 . 7.000 3.697 2.140 4.860 . 0 0 "[ . 1 . 2]" 2
293 1 8 GLU QG 1 17 ILE MG 1.800 . 7.000 3.606 2.488 4.969 . 0 0 "[ . 1 . 2]" 2
294 1 19 ASP QB 1 25 GLN QG 1.800 . 6.000 3.239 1.897 4.423 . 0 0 "[ . 1 . 2]" 2
295 1 16 VAL MG1 1 24 MET ME 1.800 . 6.000 2.413 1.854 2.784 . 0 0 "[ . 1 . 2]" 2
296 1 16 VAL MG2 1 24 MET ME 1.800 . 6.000 2.645 1.788 3.660 0.012 18 0 "[ . 1 . 2]" 2
297 1 16 VAL MG1 1 24 MET QG 1.800 . 7.000 3.187 1.699 4.028 0.101 18 0 "[ . 1 . 2]" 2
298 1 24 MET ME 1 38 LEU MD1 1.800 . 7.000 3.101 1.923 4.542 . 0 0 "[ . 1 . 2]" 2
299 1 24 MET ME 1 30 TRP QB 1.800 . 7.000 3.889 2.740 4.788 . 0 0 "[ . 1 . 2]" 2
300 1 11 VAL MG1 1 34 VAL MG1 1.800 . 7.000 4.080 3.175 4.648 . 0 0 "[ . 1 . 2]" 2
301 1 11 VAL MG1 1 34 VAL MG2 1.800 . 6.000 3.128 1.999 3.778 . 0 0 "[ . 1 . 2]" 2
302 1 11 VAL MG2 1 34 VAL MG1 1.800 . 7.000 3.933 3.200 4.473 . 0 0 "[ . 1 . 2]" 2
303 1 11 VAL MG2 1 34 VAL MG2 1.800 . 7.000 3.975 3.218 4.531 . 0 0 "[ . 1 . 2]" 2
304 1 24 MET ME 1 34 VAL MG1 1.800 . 6.000 2.209 1.709 2.973 0.091 1 0 "[ . 1 . 2]" 2
305 1 24 MET ME 1 34 VAL MG2 1.800 . 7.000 3.723 2.947 4.488 . 0 0 "[ . 1 . 2]" 2
306 1 16 VAL MG1 1 34 VAL MG1 1.800 . 7.000 3.630 2.169 4.601 . 0 0 "[ . 1 . 2]" 2
307 1 16 VAL MG2 1 34 VAL MG1 1.800 . 7.000 2.890 2.013 3.774 . 0 0 "[ . 1 . 2]" 2
308 1 16 VAL MG2 1 34 VAL MG2 1.800 . 7.000 3.392 2.526 3.825 . 0 0 "[ . 1 . 2]" 2
309 1 14 LYS QG 1 34 VAL MG2 1.800 . 7.000 3.384 1.915 5.227 . 0 0 "[ . 1 . 2]" 2
310 1 14 LYS QD 1 34 VAL MG2 1.800 . 7.000 2.657 1.723 3.834 0.077 11 0 "[ . 1 . 2]" 2
311 1 34 VAL MG1 1 38 LEU MD1 1.800 . 7.000 3.073 1.989 3.894 . 0 0 "[ . 1 . 2]" 2
312 1 32 GLU QG 1 35 ALA MB 1.800 . 7.000 4.314 3.842 5.104 . 0 0 "[ . 1 . 2]" 2
313 1 38 LEU MD2 1 42 LEU MD1 1.800 . 7.000 2.556 1.738 4.281 0.062 7 0 "[ . 1 . 2]" 2
314 1 18 LEU MD2 1 38 LEU MD2 1.800 . 7.000 3.356 2.413 4.479 . 0 0 "[ . 1 . 2]" 2
315 1 22 CYS QB 1 42 LEU MD1 1.800 . 6.000 3.446 2.195 4.116 . 0 0 "[ . 1 . 2]" 2
316 1 22 CYS QB 1 42 LEU MD2 1.800 . 6.000 3.895 3.035 4.341 . 0 0 "[ . 1 . 2]" 2
317 1 45 ILE MD 1 91 PRO QD 1.800 . 7.000 4.723 3.952 5.021 . 0 0 "[ . 1 . 2]" 2
318 1 39 ALA MB 1 45 ILE MD 1.800 . 7.000 2.286 1.717 3.191 0.083 14 0 "[ . 1 . 2]" 2
319 1 43 GLU QB 1 45 ILE MD 1.800 . 7.000 2.681 1.976 3.425 . 0 0 "[ . 1 . 2]" 2
320 1 39 ALA MB 1 45 ILE MG 1.800 . 6.000 3.385 2.701 3.917 . 0 0 "[ . 1 . 2]" 2
321 1 45 ILE MG 1 48 MET HG3 1.800 . 6.000 4.222 3.147 4.829 . 0 0 "[ . 1 . 2]" 2
322 1 45 ILE MG 1 48 MET HG2 1.800 . 6.000 3.133 2.138 4.954 . 0 0 "[ . 1 . 2]" 2
323 1 39 ALA MB 1 45 ILE HB 1.800 . 5.000 2.757 2.064 3.679 . 0 0 "[ . 1 . 2]" 2
324 1 35 ALA MB 1 48 MET ME 1.800 . 6.000 3.233 2.632 3.695 . 0 0 "[ . 1 . 2]" 2
325 1 36 GLU QG 1 48 MET ME 1.800 . 7.000 4.184 2.931 4.898 . 0 0 "[ . 1 . 2]" 2
326 1 39 ALA MB 1 48 MET ME 1.800 . 6.000 3.497 3.042 3.937 . 0 0 "[ . 1 . 2]" 2
327 1 39 ALA MB 1 48 MET QG 1.800 . 6.000 3.452 2.865 4.480 . 0 0 "[ . 1 . 2]" 2
328 1 48 MET ME 1 56 VAL MG1 1.800 . 6.000 3.709 3.225 4.049 . 0 0 "[ . 1 . 2]" 2
329 1 48 MET ME 1 56 VAL MG2 1.800 . 6.000 2.614 2.024 3.053 . 0 0 "[ . 1 . 2]" 2
330 1 48 MET ME 1 101 VAL MG1 1.800 . 6.000 2.719 1.847 3.724 . 0 0 "[ . 1 . 2]" 2
331 1 48 MET ME 1 52 HIS QB 1.800 . 7.000 1.995 1.811 2.308 . 0 0 "[ . 1 . 2]" 2
332 1 55 LEU MD1 1 79 THR MG 1.800 . 7.000 3.816 3.209 4.428 . 0 0 "[ . 1 . 2]" 2
333 1 55 LEU MD2 1 86 ILE MG 1.800 . 7.000 3.092 2.208 3.813 . 0 0 "[ . 1 . 2]" 2
334 1 55 LEU MD1 1 86 ILE MD 1.800 . 7.000 2.832 2.137 4.057 . 0 0 "[ . 1 . 2]" 2
335 1 55 LEU MD2 1 86 ILE MD 1.800 . 7.000 3.291 1.929 4.460 . 0 0 "[ . 1 . 2]" 2
336 1 55 LEU MD2 1 98 ALA MB 1.800 . 7.000 2.554 1.976 3.170 . 0 0 "[ . 1 . 2]" 2
337 1 55 LEU HG 1 98 ALA MB 1.800 . 6.000 4.183 3.507 4.992 . 0 0 "[ . 1 . 2]" 2
338 1 35 ALA MB 1 56 VAL MG1 1.800 . 6.000 3.704 3.215 4.067 . 0 0 "[ . 1 . 2]" 2
339 1 59 LEU MD1 1 102 ALA MB 1.800 . 7.000 4.123 3.129 4.691 . 0 0 "[ . 1 . 2]" 2
340 1 59 LEU QB 1 102 ALA MB 1.800 . 7.000 3.255 2.674 4.080 . 0 0 "[ . 1 . 2]" 2
341 1 59 LEU MD1 1 98 ALA MB 1.800 . 7.000 2.425 1.829 3.203 . 0 0 "[ . 1 . 2]" 2
342 1 59 LEU MD1 1 75 VAL MG1 1.800 . 7.000 4.148 3.123 4.609 . 0 0 "[ . 1 . 2]" 2
343 1 59 LEU MD1 1 75 VAL MG2 1.800 . 7.000 3.728 2.900 4.480 . 0 0 "[ . 1 . 2]" 2
344 1 72 ILE MD 1 75 VAL HB 1.800 . 5.000 3.285 1.977 4.234 . 0 0 "[ . 1 . 2]" 2
345 1 72 ILE MD 1 86 ILE MD 1.800 . 5.000 2.388 1.815 3.039 . 0 0 "[ . 1 . 2]" 2
346 1 78 GLU QB 1 79 THR MG 1.800 . 7.000 3.624 2.576 5.258 . 0 0 "[ . 1 . 2]" 2
347 1 58 TYR QB 1 79 THR MG 1.800 . 7.000 3.766 2.949 4.708 . 0 0 "[ . 1 . 2]" 2
348 1 81 PHE QB 1 86 ILE MD 1.800 . 7.000 2.396 1.836 3.212 . 0 0 "[ . 1 . 2]" 2
349 1 83 LEU MD1 1 86 ILE MG 1.800 . 7.000 3.581 2.758 4.261 . 0 0 "[ . 1 . 2]" 2
350 1 83 LEU MD1 1 86 ILE MD 1.800 . 7.000 3.275 2.198 4.663 . 0 0 "[ . 1 . 2]" 2
351 1 72 ILE MG 1 83 LEU MD1 1.800 . 7.000 2.863 1.721 4.209 0.079 16 0 "[ . 1 . 2]" 2
352 1 72 ILE MD 1 83 LEU MD1 1.800 . 7.000 3.901 1.784 4.789 0.016 9 0 "[ . 1 . 2]" 2
353 1 86 ILE MG 1 94 PRO QD 1.800 . 7.000 2.738 1.773 3.995 0.027 14 0 "[ . 1 . 2]" 2
354 1 86 ILE MG 1 94 PRO QG 1.800 . 7.000 2.290 1.752 3.416 0.048 2 0 "[ . 1 . 2]" 2
355 1 86 ILE MG 1 94 PRO QB 1.800 . 7.000 2.209 1.764 3.170 0.036 19 0 "[ . 1 . 2]" 2
356 1 83 LEU MD1 1 94 PRO QD 1.800 . 7.000 4.174 2.777 5.061 . 0 0 "[ . 1 . 2]" 2
357 1 83 LEU MD1 1 94 PRO QG 1.800 . 7.000 3.547 2.459 4.930 . 0 0 "[ . 1 . 2]" 2
358 1 86 ILE MG 1 98 ALA MB 1.800 . 7.000 4.405 3.590 4.747 . 0 0 "[ . 1 . 2]" 2
359 1 35 ALA MB 1 101 VAL MG1 1.800 . 7.000 2.645 2.295 3.028 . 0 0 "[ . 1 . 2]" 2
360 1 39 ALA MB 1 101 VAL MG1 1.800 . 7.000 3.166 2.292 4.381 . 0 0 "[ . 1 . 2]" 2
361 1 39 ALA MB 1 101 VAL MG2 1.800 . 7.000 3.207 2.406 3.926 . 0 0 "[ . 1 . 2]" 2
362 1 3 VAL MG1 1 9 TYR QE 1.800 . 8.000 3.090 2.030 5.093 . 0 0 "[ . 1 . 2]" 2
363 1 3 VAL MG2 1 9 TYR QE 1.800 . 8.000 4.063 1.935 5.850 . 0 0 "[ . 1 . 2]" 2
364 1 3 VAL HA 1 9 TYR QE 1.800 . 7.000 4.072 2.562 5.732 . 0 0 "[ . 1 . 2]" 2
365 1 3 VAL HB 1 9 TYR QE 1.800 . 7.000 4.511 2.249 6.210 . 0 0 "[ . 1 . 2]" 2
366 1 9 TYR QE 1 18 LEU MD1 1.800 . 7.000 3.371 1.868 4.788 . 0 0 "[ . 1 . 2]" 2
367 1 7 GLY QA 1 9 TYR QE 1.800 . 8.000 3.108 2.361 4.302 . 0 0 "[ . 1 . 2]" 2
368 1 9 TYR QD 1 37 TRP HH2 1.800 . 7.000 3.585 2.148 4.445 . 0 0 "[ . 1 . 2]" 2
369 1 8 GLU H 1 9 TYR QE 1.800 . 7.000 4.341 3.494 5.189 . 0 0 "[ . 1 . 2]" 2
370 1 4 LYS H 1 9 TYR QE 1.800 . 7.000 4.123 2.530 5.921 . 0 0 "[ . 1 . 2]" 2
371 1 19 ASP H 1 23 PHE QD 1.800 . 7.000 5.039 4.157 5.470 . 0 0 "[ . 1 . 2]" 2
372 1 21 ASP H 1 23 PHE QD 1.800 . 7.000 5.002 3.651 5.983 . 0 0 "[ . 1 . 2]" 2
373 1 22 CYS H 1 23 PHE QD 1.800 . 7.000 5.345 4.249 6.486 . 0 0 "[ . 1 . 2]" 2
374 1 21 ASP QB 1 23 PHE QD 1.800 . 8.000 2.913 1.796 4.444 0.004 10 0 "[ . 1 . 2]" 2
375 1 23 PHE QD 1 100 LYS HA 1.800 . 7.000 5.353 3.432 6.510 . 0 0 "[ . 1 . 2]" 2
376 1 30 TRP HE1 1 35 ALA HA 1.800 . 5.000 3.510 2.700 4.493 . 0 0 "[ . 1 . 2]" 2
377 1 30 TRP HE1 1 35 ALA MB 1.800 . 6.000 2.684 1.939 3.964 . 0 0 "[ . 1 . 2]" 2
378 1 30 TRP HE1 1 102 ALA HA 1.800 . 5.000 3.348 2.232 4.079 . 0 0 "[ . 1 . 2]" 2
379 1 30 TRP HE1 1 103 GLY H 1.800 . 5.000 4.199 3.255 5.005 0.005 13 0 "[ . 1 . 2]" 2
380 1 30 TRP HD1 1 103 GLY H 1.800 . 5.000 4.865 4.495 5.004 0.004 19 0 "[ . 1 . 2]" 2
381 1 30 TRP HZ2 1 35 ALA MB 1.800 . 6.000 2.310 1.900 2.856 . 0 0 "[ . 1 . 2]" 2
382 1 30 TRP HZ2 1 35 ALA H 1.800 . 5.000 4.663 4.199 4.982 . 0 0 "[ . 1 . 2]" 2
383 1 30 TRP HZ2 1 56 VAL MG1 1.800 . 6.000 2.994 2.208 3.608 . 0 0 "[ . 1 . 2]" 2
384 1 30 TRP HZ2 1 102 ALA HA 1.800 . 5.000 3.099 2.061 4.278 . 0 0 "[ . 1 . 2]" 2
385 1 30 TRP HH2 1 35 ALA MB 1.800 . 6.000 3.628 2.593 4.614 . 0 0 "[ . 1 . 2]" 2
386 1 30 TRP HZ3 1 31 ASP HA 1.800 . 5.000 3.438 2.666 4.726 . 0 0 "[ . 1 . 2]" 2
387 1 11 VAL MG1 1 37 TRP HE1 1.800 . 6.000 4.311 3.590 4.801 . 0 0 "[ . 1 . 2]" 2
388 1 11 VAL MG2 1 37 TRP HE1 1.800 . 6.000 3.615 3.026 4.376 . 0 0 "[ . 1 . 2]" 2
389 1 37 TRP HE1 1 41 GLU QB 1.800 . 6.000 4.856 4.159 5.240 . 0 0 "[ . 1 . 2]" 2
390 1 37 TRP HE1 1 41 GLU QG 1.800 . 6.000 3.864 2.790 5.193 . 0 0 "[ . 1 . 2]" 2
391 1 37 TRP HE1 1 40 ARG QD 1.800 . 6.000 4.846 4.025 5.350 . 0 0 "[ . 1 . 2]" 2
392 1 11 VAL MG1 1 37 TRP HD1 1.800 . 6.000 3.462 2.546 4.185 . 0 0 "[ . 1 . 2]" 2
393 1 3 VAL MG1 1 37 TRP HZ2 1.800 . 6.000 3.990 2.003 4.833 . 0 0 "[ . 1 . 2]" 2
394 1 3 VAL MG2 1 37 TRP HZ2 1.800 . 6.000 4.110 2.846 4.911 . 0 0 "[ . 1 . 2]" 2
395 1 3 VAL MG1 1 37 TRP HH2 1.800 . 6.000 3.702 2.231 4.626 . 0 0 "[ . 1 . 2]" 2
396 1 3 VAL MG2 1 37 TRP HH2 1.800 . 6.000 3.939 2.276 4.881 . 0 0 "[ . 1 . 2]" 2
397 1 18 LEU MD1 1 37 TRP HH2 1.800 . 6.000 2.996 1.965 4.298 . 0 0 "[ . 1 . 2]" 2
398 1 16 VAL MG1 1 37 TRP HZ3 1.800 . 6.000 2.669 1.862 3.666 . 0 0 "[ . 1 . 2]" 2
399 1 37 TRP HZ3 1 38 LEU MD2 1.800 . 6.000 3.878 2.311 5.010 . 0 0 "[ . 1 . 2]" 2
400 1 37 TRP HE3 1 38 LEU MD2 1.800 . 6.000 4.240 3.057 5.049 . 0 0 "[ . 1 . 2]" 2
401 1 37 TRP HE3 1 38 LEU HA 1.800 . 5.000 3.072 2.050 4.120 . 0 0 "[ . 1 . 2]" 2
402 1 37 TRP HE3 1 38 LEU H 1.800 . 5.000 2.875 2.332 3.401 . 0 0 "[ . 1 . 2]" 2
403 1 48 MET ME 1 52 HIS HD2 1.800 . 6.000 3.839 2.190 4.767 . 0 0 "[ . 1 . 2]" 2
404 1 45 ILE MD 1 52 HIS HD2 1.800 . 6.000 4.547 3.307 5.022 . 0 0 "[ . 1 . 2]" 2
405 1 52 HIS HD2 1 89 LEU MD2 1.800 . 6.000 4.101 3.267 4.683 . 0 0 "[ . 1 . 2]" 2
406 1 49 THR MG 1 52 HIS HE1 1.800 . 6.000 3.617 2.475 4.895 . 0 0 "[ . 1 . 2]" 2
407 1 49 THR H 1 52 HIS HE1 1.800 . 5.000 4.382 3.572 4.941 . 0 0 "[ . 1 . 2]" 2
408 1 52 HIS HE1 1 89 LEU QD 1.800 . 7.400 2.424 1.888 3.173 . 0 0 "[ . 1 . 2]" 2
409 1 52 HIS HE2 1 89 LEU MD2 1.800 . 6.000 3.145 1.999 3.883 . 0 0 "[ . 1 . 2]" 2
410 1 52 HIS HE2 1 89 LEU HA 1.800 . 5.000 3.956 2.933 4.902 . 0 0 "[ . 1 . 2]" 2
411 1 52 HIS HE2 1 89 LEU QB 1.800 . 6.000 2.485 1.863 3.353 . 0 0 "[ . 1 . 2]" 2
412 1 32 GLU HA 1 53 TRP HH2 1.800 . 5.000 2.103 1.864 2.488 . 0 0 "[ . 1 . 2]" 2
413 1 48 MET QG 1 53 TRP HH2 1.800 . 6.000 4.898 4.248 5.396 . 0 0 "[ . 1 . 2]" 2
414 1 35 ALA MB 1 53 TRP HZ2 1.800 . 6.000 3.217 2.878 3.617 . 0 0 "[ . 1 . 2]" 2
415 1 35 ALA MB 1 53 TRP HH2 1.800 . 6.000 1.987 1.742 2.568 0.058 10 0 "[ . 1 . 2]" 2
416 1 35 ALA MB 1 53 TRP HZ3 1.800 . 6.000 3.211 2.695 3.814 . 0 0 "[ . 1 . 2]" 2
417 1 35 ALA H 1 53 TRP HZ2 1.800 . 5.000 4.959 4.770 5.006 0.006 4 0 "[ . 1 . 2]" 2
418 1 36 GLU QG 1 53 TRP HZ2 1.800 . 6.000 3.990 1.940 5.189 . 0 0 "[ . 1 . 2]" 2
419 1 48 MET QG 1 53 TRP HZ2 1.800 . 6.000 3.471 2.723 4.464 . 0 0 "[ . 1 . 2]" 2
420 1 48 MET ME 1 53 TRP HE1 1.800 . 6.000 3.853 3.052 4.731 . 0 0 "[ . 1 . 2]" 2
421 1 48 MET H 1 53 TRP HE1 1.800 . 5.000 4.423 3.899 4.868 . 0 0 "[ . 1 . 2]" 2
422 1 48 MET QB 1 53 TRP HE1 1.800 . 6.000 2.296 1.887 2.888 . 0 0 "[ . 1 . 2]" 2
423 1 48 MET QG 1 53 TRP HE1 1.800 . 6.000 3.229 2.095 4.255 . 0 0 "[ . 1 . 2]" 2
424 1 36 GLU QG 1 53 TRP HE1 1.800 . 6.000 4.149 3.164 5.201 . 0 0 "[ . 1 . 2]" 2
425 1 50 GLU HA 1 53 TRP HD1 1.800 . 4.000 3.793 3.142 3.943 . 0 0 "[ . 1 . 2]" 2
426 1 53 TRP HA 1 53 TRP HE3 1.800 . 4.000 1.958 1.869 2.235 . 0 0 "[ . 1 . 2]" 2
427 1 53 TRP HE3 1 56 VAL H 1.800 . 5.000 4.820 4.426 5.008 0.008 17 0 "[ . 1 . 2]" 2
428 1 53 TRP HE3 1 57 LYS H 1.800 . 5.000 4.277 3.863 4.715 . 0 0 "[ . 1 . 2]" 2
429 1 58 TYR QD 1 59 LEU H 1.800 . 6.000 3.906 2.715 4.607 . 0 0 "[ . 1 . 2]" 2
430 1 58 TYR QD 1 79 THR MG 1.800 . 8.000 3.319 2.184 4.772 . 0 0 "[ . 1 . 2]" 2
431 1 58 TYR QE 1 79 THR MG 1.800 . 8.000 3.211 1.991 4.906 . 0 0 "[ . 1 . 2]" 2
432 1 58 TYR QE 1 78 GLU QB 1.800 . 8.000 3.424 2.103 5.163 . 0 0 "[ . 1 . 2]" 2
433 1 58 TYR QD 1 75 VAL MG1 1.800 . 8.000 3.098 1.924 4.030 . 0 0 "[ . 1 . 2]" 2
434 1 58 TYR QD 1 75 VAL MG2 1.800 . 8.000 3.783 2.537 4.814 . 0 0 "[ . 1 . 2]" 2
435 1 58 TYR QE 1 75 VAL MG1 1.800 . 8.000 3.407 1.865 4.469 . 0 0 "[ . 1 . 2]" 2
436 1 58 TYR QE 1 75 VAL MG2 1.800 . 8.000 3.934 1.953 5.523 . 0 0 "[ . 1 . 2]" 2
437 1 58 TYR QE 1 75 VAL HA 1.800 . 6.000 3.978 1.990 5.121 . 0 0 "[ . 1 . 2]" 2
438 1 62 TYR QD 1 63 TRP H 1.800 . 7.000 4.249 3.612 4.592 . 0 0 "[ . 1 . 2]" 2
439 1 62 TYR QD 1 68 THR H 1.800 . 7.000 4.102 2.062 5.760 . 0 0 "[ . 1 . 2]" 2
440 1 62 TYR QD 1 68 THR MG 1.800 . 8.000 4.559 3.043 5.619 . 0 0 "[ . 1 . 2]" 2
441 1 62 TYR QE 1 68 THR MG 1.800 . 8.000 4.489 3.330 5.585 . 0 0 "[ . 1 . 2]" 2
442 1 62 TYR QD 1 70 PRO QD 1.800 . 8.000 3.358 2.402 5.100 . 0 0 "[ . 1 . 2]" 2
443 1 63 TRP HD1 1 68 THR HA 1.800 . 5.000 4.274 2.475 5.002 0.002 4 0 "[ . 1 . 2]" 2
444 1 63 TRP HD1 1 68 THR H 1.800 . 5.000 3.441 2.559 4.394 . 0 0 "[ . 1 . 2]" 2
445 1 63 TRP HD1 1 104 ALA MB 1.800 . 6.000 3.245 2.138 4.791 . 0 0 "[ . 1 . 2]" 2
446 1 63 TRP HE1 1 67 GLY QA 1.800 . 6.000 3.701 2.870 4.779 . 0 0 "[ . 1 . 2]" 2
447 1 63 TRP HE1 1 104 ALA MB 1.800 . 6.000 3.190 1.984 4.375 . 0 0 "[ . 1 . 2]" 2
448 1 63 TRP HE3 1 64 GLU H 1.800 . 5.000 3.733 2.677 4.917 . 0 0 "[ . 1 . 2]" 2
449 1 63 TRP HE3 1 64 GLU QG 1.800 . 6.000 3.599 2.294 4.889 . 0 0 "[ . 1 . 2]" 2
450 1 63 TRP HZ3 1 64 GLU QG 1.800 . 6.000 4.057 2.306 5.249 . 0 0 "[ . 1 . 2]" 2
451 1 55 LEU H 1 81 PHE QD 1.800 . 7.000 5.734 4.963 6.447 . 0 0 "[ . 1 . 2]" 2
452 1 55 LEU H 1 81 PHE QE 1.800 . 7.000 4.402 3.582 5.646 . 0 0 "[ . 1 . 2]" 2
453 1 51 GLU HA 1 81 PHE HZ 1.800 . 5.000 3.717 2.499 4.778 . 0 0 "[ . 1 . 2]" 2
454 1 51 GLU QG 1 81 PHE HZ 1.800 . 6.000 3.538 1.825 5.311 . 0 0 "[ . 1 . 2]" 2
455 1 83 LEU MD1 1 87 TYR QE 1.800 . 8.000 3.866 2.298 5.479 . 0 0 "[ . 1 . 2]" 2
456 1 83 LEU MD2 1 87 TYR QE 1.800 . 8.000 3.421 1.852 5.282 . 0 0 "[ . 1 . 2]" 2
457 1 83 LEU HG 1 87 TYR QE 1.800 . 7.000 3.980 2.345 5.356 . 0 0 "[ . 1 . 2]" 2
458 1 87 TYR QD 1 93 GLY H 1.800 . 7.000 4.936 3.562 6.015 . 0 0 "[ . 1 . 2]" 2
459 1 87 TYR QE 1 93 GLY H 1.800 . 7.000 4.751 3.065 6.143 . 0 0 "[ . 1 . 2]" 2
460 1 87 TYR QE 1 94 PRO QD 1.800 . 8.000 3.855 2.332 6.199 . 0 0 "[ . 1 . 2]" 2
461 1 45 ILE MD 1 90 PHE QD 1.800 . 8.000 4.427 3.572 5.261 . 0 0 "[ . 1 . 2]" 2
462 1 55 LEU MD2 1 90 PHE QD 1.800 . 8.000 4.399 2.688 5.739 . 0 0 "[ . 1 . 2]" 2
463 1 90 PHE QD 1 98 ALA MB 1.800 . 8.000 4.535 3.632 5.395 . 0 0 "[ . 1 . 2]" 2
464 1 89 LEU H 1 90 PHE QD 1.800 . 7.000 5.584 4.179 6.486 . 0 0 "[ . 1 . 2]" 2
465 1 90 PHE QD 1 98 ALA H 1.800 . 7.000 4.595 3.696 5.558 . 0 0 "[ . 1 . 2]" 2
466 1 90 PHE QD 1 93 GLY H 1.800 . 7.000 4.635 2.537 6.414 . 0 0 "[ . 1 . 2]" 2
467 1 39 ALA MB 1 90 PHE QE 1.800 . 8.000 4.207 3.543 5.335 . 0 0 "[ . 1 . 2]" 2
468 1 90 PHE QD 1 101 VAL MG2 1.800 . 8.000 4.282 3.311 5.144 . 0 0 "[ . 1 . 2]" 2
469 1 90 PHE QE 1 101 VAL MG2 1.800 . 8.000 2.597 1.970 3.276 . 0 0 "[ . 1 . 2]" 2
470 1 43 GLU QG 1 90 PHE QD 1.800 . 8.000 4.543 3.441 6.444 . 0 0 "[ . 1 . 2]" 2
471 1 95 ALA MB 1 96 HIS HD2 1.800 . 6.000 3.568 2.241 4.786 . 0 0 "[ . 1 . 2]" 2
472 1 14 LYS HA 1 14 LYS QG 1.800 . 4.600 2.147 1.913 2.535 . 0 0 "[ . 1 . 2]" 2
473 1 14 LYS HA 1 14 LYS QD 1.800 . 5.000 3.339 2.292 3.893 . 0 0 "[ . 1 . 2]" 2
474 1 18 LEU HA 1 18 LEU MD2 1.800 . 5.000 1.880 1.823 1.995 . 0 0 "[ . 1 . 2]" 2
475 1 24 MET HA 1 24 MET ME 1.800 . 5.000 3.697 2.764 4.156 . 0 0 "[ . 1 . 2]" 2
476 1 32 GLU HA 1 32 GLU QG 1.800 . 4.600 2.280 1.912 3.302 . 0 0 "[ . 1 . 2]" 2
477 1 38 LEU HA 1 38 LEU MD2 1.800 . 4.000 2.585 1.909 3.306 . 0 0 "[ . 1 . 2]" 2
478 1 40 ARG HA 1 40 ARG QG 1.800 . 4.600 2.370 2.000 2.561 . 0 0 "[ . 1 . 2]" 2
479 1 42 LEU HA 1 42 LEU MD2 1.800 . 4.600 3.267 1.869 3.716 . 0 0 "[ . 1 . 2]" 2
480 1 43 GLU H 1 43 GLU QG 1.800 . 4.600 3.437 2.503 4.157 . 0 0 "[ . 1 . 2]" 2
481 1 45 ILE HA 1 45 ILE MD 1.800 . 5.000 3.791 3.699 3.862 . 0 0 "[ . 1 . 2]" 2
482 1 46 GLN H 1 46 GLN QG 1.800 . 5.000 2.845 1.939 3.993 . 0 0 "[ . 1 . 2]" 2
483 1 47 LYS H 1 47 LYS QG 1.800 . 5.000 3.552 1.871 4.279 . 0 0 "[ . 1 . 2]" 2
484 1 48 MET QB 1 48 MET ME 1.800 . 6.000 2.533 1.914 3.540 . 0 0 "[ . 1 . 2]" 2
485 1 50 GLU HA 1 50 GLU QG 1.800 . 5.000 2.256 1.961 3.299 . 0 0 "[ . 1 . 2]" 2
486 1 53 TRP H 1 53 TRP HD1 1.800 . 4.000 3.499 3.219 3.759 . 0 0 "[ . 1 . 2]" 2
487 1 54 LYS H 1 54 LYS QG 1.800 . 5.000 3.531 2.862 4.010 . 0 0 "[ . 1 . 2]" 2
488 1 55 LEU H 1 55 LEU QB 1.800 . 4.600 2.057 1.936 2.176 . 0 0 "[ . 1 . 2]" 2
489 1 55 LEU HA 1 55 LEU MD1 1.800 . 5.000 2.518 2.007 3.102 . 0 0 "[ . 1 . 2]" 2
490 1 55 LEU HB3 1 55 LEU MD2 1.800 . 5.000 2.092 1.893 2.310 . 0 0 "[ . 1 . 2]" 2
491 1 55 LEU HB2 1 55 LEU MD2 1.800 . 5.000 2.679 2.374 2.938 . 0 0 "[ . 1 . 2]" 2
492 1 59 LEU H 1 59 LEU MD1 1.800 . 5.000 3.445 2.438 4.081 . 0 0 "[ . 1 . 2]" 2
493 1 79 THR HA 1 79 THR MG 1.800 . 5.000 2.258 2.051 2.402 . 0 0 "[ . 1 . 2]" 2
494 1 83 LEU HA 1 83 LEU MD1 1.800 . 5.000 2.307 1.834 2.952 . 0 0 "[ . 1 . 2]" 2
495 1 85 LYS HA 1 85 LYS QD 1.800 . 5.000 3.291 1.904 4.090 . 0 0 "[ . 1 . 2]" 2
496 1 89 LEU H 1 89 LEU MD1 1.800 . 5.000 3.371 2.738 3.834 . 0 0 "[ . 1 . 2]" 2
497 1 89 LEU H 1 89 LEU MD2 1.800 . 5.000 3.866 3.181 4.190 . 0 0 "[ . 1 . 2]" 2
498 1 89 LEU H 1 89 LEU HB3 1.800 . 4.000 3.468 3.339 3.574 . 0 0 "[ . 1 . 2]" 2
499 1 89 LEU H 1 89 LEU HB2 1.800 . 4.000 2.170 1.975 2.412 . 0 0 "[ . 1 . 2]" 2
500 1 89 LEU H 1 89 LEU HG 1.800 . 4.000 2.657 1.973 3.209 . 0 0 "[ . 1 . 2]" 2
501 1 89 LEU HA 1 89 LEU MD2 1.800 . 4.000 2.141 1.846 2.526 . 0 0 "[ . 1 . 2]" 2
502 1 5 CYS HA 1 6 PRO HA 1.800 . 4.000 2.173 2.031 2.352 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 56
_Distance_constraint_stats_list.Viol_count 96
_Distance_constraint_stats_list.Viol_total 9.932
_Distance_constraint_stats_list.Viol_max 0.027
_Distance_constraint_stats_list.Viol_rms 0.0021
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0052
_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 7 GLY 0.087 0.019 17 0 "[ . 1 . 2]"
1 9 TYR 0.024 0.010 17 0 "[ . 1 . 2]"
1 16 VAL 0.024 0.010 17 0 "[ . 1 . 2]"
1 18 LEU 0.087 0.019 17 0 "[ . 1 . 2]"
1 19 ASP 0.017 0.005 15 0 "[ . 1 . 2]"
1 23 PHE 0.017 0.005 15 0 "[ . 1 . 2]"
1 30 TRP 0.006 0.005 1 0 "[ . 1 . 2]"
1 31 ASP 0.017 0.006 14 0 "[ . 1 . 2]"
1 32 GLU 0.015 0.008 11 0 "[ . 1 . 2]"
1 33 LYS 0.001 0.001 12 0 "[ . 1 . 2]"
1 34 VAL 0.023 0.016 11 0 "[ . 1 . 2]"
1 35 ALA 0.019 0.006 14 0 "[ . 1 . 2]"
1 36 GLU 0.027 0.008 11 0 "[ . 1 . 2]"
1 37 TRP 0.016 0.006 9 0 "[ . 1 . 2]"
1 38 LEU 0.041 0.016 11 0 "[ . 1 . 2]"
1 39 ALA 0.002 0.002 1 0 "[ . 1 . 2]"
1 40 ARG 0.011 0.007 12 0 "[ . 1 . 2]"
1 41 GLU 0.015 0.006 9 0 "[ . 1 . 2]"
1 42 LEU 0.018 0.008 6 0 "[ . 1 . 2]"
1 51 GLU 0.016 0.006 6 0 "[ . 1 . 2]"
1 52 HIS 0.019 0.010 19 0 "[ . 1 . 2]"
1 53 TRP 0.000 0.000 8 0 "[ . 1 . 2]"
1 54 LYS 0.110 0.027 4 0 "[ . 1 . 2]"
1 55 LEU 0.027 0.006 6 0 "[ . 1 . 2]"
1 56 VAL 0.019 0.010 19 0 "[ . 1 . 2]"
1 57 LYS 0.000 0.000 8 0 "[ . 1 . 2]"
1 58 TYR 0.110 0.027 4 0 "[ . 1 . 2]"
1 59 LEU 0.014 0.006 17 0 "[ . 1 . 2]"
1 63 TRP 0.003 0.002 13 0 "[ . 1 . 2]"
1 83 LEU 0.007 0.004 13 0 "[ . 1 . 2]"
1 84 GLU 0.022 0.010 4 0 "[ . 1 . 2]"
1 85 LYS 0.009 0.009 13 0 "[ . 1 . 2]"
1 86 ILE 0.033 0.019 13 0 "[ . 1 . 2]"
1 87 TYR 0.007 0.004 13 0 "[ . 1 . 2]"
1 88 GLN 0.022 0.010 4 0 "[ . 1 . 2]"
1 89 LEU 0.009 0.009 13 0 "[ . 1 . 2]"
1 90 PHE 0.033 0.019 13 0 "[ . 1 . 2]"
1 96 HIS 0.008 0.005 7 0 "[ . 1 . 2]"
1 97 GLY 0.009 0.005 20 0 "[ . 1 . 2]"
1 98 ALA 0.004 0.004 5 0 "[ . 1 . 2]"
1 99 CYS 0.010 0.005 14 0 "[ . 1 . 2]"
1 100 LYS 0.008 0.005 7 0 "[ . 1 . 2]"
1 101 VAL 0.014 0.005 20 0 "[ . 1 . 2]"
1 102 ALA 0.004 0.004 5 0 "[ . 1 . 2]"
1 103 GLY 0.010 0.005 14 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 31 ASP O 1 35 ALA H 1.800 . 2.200 2.170 2.107 2.206 0.006 14 0 "[ . 1 . 2]" 3
2 1 31 ASP O 1 35 ALA N 2.800 2.800 3.300 3.130 3.080 3.182 . 0 0 "[ . 1 . 2]" 3
3 1 32 GLU O 1 36 GLU H 1.800 . 2.200 2.153 2.101 2.208 0.008 11 0 "[ . 1 . 2]" 3
4 1 32 GLU O 1 36 GLU N 2.800 2.800 3.300 3.097 3.040 3.178 . 0 0 "[ . 1 . 2]" 3
5 1 33 LYS O 1 37 TRP H 1.800 . 2.200 2.148 2.104 2.201 0.001 12 0 "[ . 1 . 2]" 3
6 1 33 LYS O 1 37 TRP N 2.800 2.800 3.300 3.041 2.856 3.144 . 0 0 "[ . 1 . 2]" 3
7 1 34 VAL O 1 38 LEU H 1.800 . 2.200 2.153 2.096 2.216 0.016 11 0 "[ . 1 . 2]" 3
8 1 34 VAL O 1 38 LEU N 2.800 2.800 3.300 3.076 2.984 3.157 . 0 0 "[ . 1 . 2]" 3
9 1 35 ALA O 1 39 ALA H 1.800 . 2.200 2.179 2.131 2.202 0.002 1 0 "[ . 1 . 2]" 3
10 1 35 ALA O 1 39 ALA N 2.800 2.800 3.300 3.128 3.068 3.172 . 0 0 "[ . 1 . 2]" 3
11 1 36 GLU O 1 40 ARG H 1.800 . 2.200 2.163 2.102 2.207 0.007 12 0 "[ . 1 . 2]" 3
12 1 36 GLU O 1 40 ARG N 2.800 2.800 3.300 3.035 2.931 3.120 . 0 0 "[ . 1 . 2]" 3
13 1 37 TRP O 1 41 GLU H 1.800 . 2.200 2.144 2.089 2.206 0.006 9 0 "[ . 1 . 2]" 3
14 1 37 TRP O 1 41 GLU N 2.800 2.800 3.300 3.061 2.896 3.187 . 0 0 "[ . 1 . 2]" 3
15 1 38 LEU O 1 42 LEU H 1.800 . 2.200 2.144 2.096 2.208 0.008 6 0 "[ . 1 . 2]" 3
16 1 38 LEU O 1 42 LEU N 2.800 2.800 3.300 3.035 2.933 3.132 . 0 0 "[ . 1 . 2]" 3
17 1 51 GLU O 1 55 LEU H 1.800 . 2.200 2.164 2.097 2.206 0.006 6 0 "[ . 1 . 2]" 3
18 1 51 GLU O 1 55 LEU N 2.800 2.800 3.300 3.116 3.020 3.177 . 0 0 "[ . 1 . 2]" 3
19 1 52 HIS O 1 56 VAL H 1.800 . 2.200 2.159 2.103 2.210 0.010 19 0 "[ . 1 . 2]" 3
20 1 52 HIS O 1 56 VAL N 2.800 2.800 3.300 3.097 2.995 3.175 . 0 0 "[ . 1 . 2]" 3
21 1 53 TRP O 1 57 LYS H 1.800 . 2.200 2.141 2.099 2.200 . 8 0 "[ . 1 . 2]" 3
22 1 53 TRP O 1 57 LYS N 2.800 2.800 3.300 2.971 2.830 3.136 . 0 0 "[ . 1 . 2]" 3
23 1 54 LYS O 1 58 TYR H 1.800 . 2.200 2.181 2.103 2.227 0.027 4 0 "[ . 1 . 2]" 3
24 1 54 LYS O 1 58 TYR N 2.800 2.800 3.300 3.132 3.012 3.181 . 0 0 "[ . 1 . 2]" 3
25 1 55 LEU O 1 59 LEU H 1.800 . 2.200 2.167 2.100 2.206 0.006 17 0 "[ . 1 . 2]" 3
26 1 55 LEU O 1 59 LEU N 2.800 2.800 3.300 3.110 3.029 3.166 . 0 0 "[ . 1 . 2]" 3
27 1 59 LEU O 1 63 TRP H 1.800 . 2.200 2.159 2.101 2.202 0.002 13 0 "[ . 1 . 2]" 3
28 1 59 LEU O 1 63 TRP N 2.800 2.800 3.300 3.066 2.990 3.146 . 0 0 "[ . 1 . 2]" 3
29 1 83 LEU O 1 87 TYR H 1.800 . 2.200 2.155 2.100 2.204 0.004 13 0 "[ . 1 . 2]" 3
30 1 83 LEU O 1 87 TYR N 2.800 2.800 3.300 3.006 2.896 3.120 . 0 0 "[ . 1 . 2]" 3
31 1 84 GLU O 1 88 GLN H 1.800 . 2.200 2.164 2.102 2.210 0.010 4 0 "[ . 1 . 2]" 3
32 1 84 GLU O 1 88 GLN N 2.800 2.800 3.300 3.069 2.970 3.148 . 0 0 "[ . 1 . 2]" 3
33 1 85 LYS O 1 89 LEU H 1.800 . 2.200 2.158 2.104 2.209 0.009 13 0 "[ . 1 . 2]" 3
34 1 85 LYS O 1 89 LEU N 2.800 2.800 3.300 3.065 2.933 3.161 . 0 0 "[ . 1 . 2]" 3
35 1 86 ILE O 1 90 PHE H 1.800 . 2.200 2.132 2.100 2.210 0.010 13 0 "[ . 1 . 2]" 3
36 1 86 ILE O 1 90 PHE N 2.800 2.800 3.300 2.989 2.781 3.154 0.019 13 0 "[ . 1 . 2]" 3
37 1 96 HIS O 1 100 LYS H 1.800 . 2.200 2.149 2.095 2.205 0.005 7 0 "[ . 1 . 2]" 3
38 1 96 HIS O 1 100 LYS N 2.800 2.800 3.300 3.055 2.980 3.158 . 0 0 "[ . 1 . 2]" 3
39 1 97 GLY O 1 101 VAL H 1.800 . 2.200 2.149 2.095 2.205 0.005 20 0 "[ . 1 . 2]" 3
40 1 97 GLY O 1 101 VAL N 2.800 2.800 3.300 3.093 3.028 3.167 . 0 0 "[ . 1 . 2]" 3
41 1 98 ALA O 1 102 ALA H 1.800 . 2.200 2.150 2.099 2.204 0.004 5 0 "[ . 1 . 2]" 3
42 1 98 ALA O 1 102 ALA N 2.800 2.800 3.300 3.074 2.890 3.166 . 0 0 "[ . 1 . 2]" 3
43 1 99 CYS O 1 103 GLY H 1.800 . 2.200 2.156 2.103 2.205 0.005 14 0 "[ . 1 . 2]" 3
44 1 99 CYS O 1 103 GLY N 2.800 2.800 3.300 2.990 2.796 3.175 0.004 17 0 "[ . 1 . 2]" 3
45 1 7 GLY H 1 18 LEU O 1.800 . 2.200 2.192 2.136 2.219 0.019 17 0 "[ . 1 . 2]" 3
46 1 7 GLY N 1 18 LEU O 2.800 2.800 3.300 3.050 2.957 3.138 . 0 0 "[ . 1 . 2]" 3
47 1 7 GLY O 1 18 LEU H 1.800 . 2.200 2.116 2.097 2.185 . 0 0 "[ . 1 . 2]" 3
48 1 7 GLY O 1 18 LEU N 2.800 2.800 3.300 2.932 2.793 3.109 0.007 15 0 "[ . 1 . 2]" 3
49 1 9 TYR H 1 16 VAL O 1.800 . 2.200 2.153 2.098 2.202 0.002 2 0 "[ . 1 . 2]" 3
50 1 9 TYR N 1 16 VAL O 2.800 2.800 3.300 3.080 2.907 3.176 . 0 0 "[ . 1 . 2]" 3
51 1 9 TYR O 1 16 VAL H 1.800 . 2.200 2.140 2.101 2.210 0.010 17 0 "[ . 1 . 2]" 3
52 1 9 TYR O 1 16 VAL N 2.800 2.800 3.300 3.014 2.824 3.170 . 0 0 "[ . 1 . 2]" 3
53 1 19 ASP H 1 23 PHE O 1.800 . 2.200 2.155 2.099 2.205 0.005 15 0 "[ . 1 . 2]" 3
54 1 19 ASP N 1 23 PHE O 2.800 2.800 3.300 3.093 2.990 3.163 . 0 0 "[ . 1 . 2]" 3
55 1 30 TRP HE1 1 101 VAL O 1.800 . 2.200 2.154 2.104 2.205 0.005 1 0 "[ . 1 . 2]" 3
56 1 30 TRP NE1 1 101 VAL O 2.800 2.800 3.300 3.002 2.800 3.163 0.000 17 0 "[ . 1 . 2]" 3
stop_
save_
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