NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
377728 |
1gdf   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1gdf
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 194
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.048
_Distance_constraint_stats_list.Viol_max 0.021
_Distance_constraint_stats_list.Viol_rms 0.0019
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0095
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 PRO 0.000 0.000 . 0 "[ ]"
1 7 ASN 0.000 0.000 . 0 "[ ]"
1 10 ASN 0.000 0.000 . 0 "[ ]"
1 12 VAL 0.000 0.000 . 0 "[ ]"
1 13 VAL 0.000 0.000 . 0 "[ ]"
1 16 LEU 0.000 0.000 . 0 "[ ]"
1 17 THR 0.000 0.000 . 0 "[ ]"
1 18 LEU 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.000 0.000 . 0 "[ ]"
1 35 LEU 0.000 0.000 . 0 "[ ]"
1 42 SER 0.000 0.000 . 0 "[ ]"
1 43 PHE 0.000 0.000 . 0 "[ ]"
1 44 VAL 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.000 0.000 . 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 47 GLU 0.000 0.000 . 0 "[ ]"
1 48 GLY 0.000 0.000 . 0 "[ ]"
1 49 VAL 0.000 0.000 . 0 "[ ]"
1 50 GLU 0.000 0.000 . 0 "[ ]"
1 51 TYR 0.000 0.000 . 0 "[ ]"
1 53 ILE 0.000 0.000 . 0 "[ ]"
1 54 LYS 0.000 0.000 . 0 "[ ]"
1 55 ILE 0.000 0.000 . 0 "[ ]"
1 57 PHE 0.000 0.000 . 0 "[ ]"
1 58 ARG 0.000 0.000 . 0 "[ ]"
1 59 VAL 0.000 0.000 . 0 "[ ]"
1 60 ASN 0.000 0.000 . 0 "[ ]"
1 61 ARG 0.000 0.000 . 0 "[ ]"
1 62 GLU 0.000 0.000 . 0 "[ ]"
1 63 ILE 0.000 0.000 . 0 "[ ]"
1 64 VAL 0.000 0.000 . 0 "[ ]"
1 65 SER 0.000 0.000 . 0 "[ ]"
1 66 GLY 0.000 0.000 . 0 "[ ]"
1 67 MET 0.000 0.000 . 0 "[ ]"
1 68 LYS 0.031 0.021 1 0 "[ ]"
1 69 TYR 0.000 0.000 . 0 "[ ]"
1 70 ILE 0.000 0.000 . 0 "[ ]"
1 73 THR 0.000 0.000 . 0 "[ ]"
1 74 TYR 0.001 0.001 1 0 "[ ]"
1 80 ILE 0.000 0.000 . 0 "[ ]"
1 86 MET 0.000 0.000 . 0 "[ ]"
1 87 VAL 0.010 0.010 1 0 "[ ]"
1 88 GLY 0.000 0.000 . 0 "[ ]"
1 89 SER 0.000 0.000 . 0 "[ ]"
1 90 TYR 0.004 0.004 1 0 "[ ]"
1 91 GLY 0.004 0.004 1 0 "[ ]"
1 92 PRO 0.011 0.011 1 0 "[ ]"
1 93 ARG 0.011 0.011 1 0 "[ ]"
1 96 GLU 0.000 0.000 . 0 "[ ]"
1 97 TYR 0.000 0.000 . 0 "[ ]"
1 98 GLU 0.000 0.000 . 0 "[ ]"
1 103 MET 0.000 0.000 . 0 "[ ]"
1 104 GLU 0.000 0.000 . 0 "[ ]"
1 105 GLU 0.000 0.000 . 0 "[ ]"
1 106 ALA 0.000 0.000 . 0 "[ ]"
1 108 LYS 0.000 0.000 . 0 "[ ]"
1 113 ARG 0.000 0.000 . 0 "[ ]"
1 114 GLY 0.000 0.000 . 0 "[ ]"
1 116 TYR 0.000 0.000 . 0 "[ ]"
1 117 ASN 0.000 0.000 . 0 "[ ]"
1 118 ILE 0.000 0.000 . 0 "[ ]"
1 119 LYS 0.001 0.001 1 0 "[ ]"
1 120 SER 0.000 0.000 . 0 "[ ]"
1 121 ARG 0.000 0.000 . 0 "[ ]"
1 122 PHE 0.000 0.000 . 0 "[ ]"
1 123 THR 0.000 0.000 . 0 "[ ]"
1 124 ASP 0.021 0.021 1 0 "[ ]"
1 125 ASP 0.000 0.000 . 0 "[ ]"
1 127 ARG 0.000 0.000 . 0 "[ ]"
1 128 THR 0.000 0.000 . 0 "[ ]"
1 130 HIS 0.000 0.000 . 0 "[ ]"
1 131 LEU 0.000 0.000 . 0 "[ ]"
1 132 SER 0.000 0.000 . 0 "[ ]"
1 133 TRP 0.000 0.000 . 0 "[ ]"
1 134 GLU 0.000 0.000 . 0 "[ ]"
1 135 TRP 0.000 0.000 . 0 "[ ]"
1 136 ASN 0.000 0.000 . 0 "[ ]"
1 137 LEU 0.000 0.000 . 0 "[ ]"
1 138 THR 0.000 0.000 . 0 "[ ]"
1 139 ILE 0.000 0.000 . 0 "[ ]"
1 140 LYS 0.000 0.000 . 0 "[ ]"
1 141 LYS 0.000 0.000 . 0 "[ ]"
1 142 GLU 0.000 0.000 . 0 "[ ]"
1 143 TRP 0.000 0.000 . 0 "[ ]"
1 144 LYS 0.000 0.000 . 0 "[ ]"
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 43 PHE QD 1 44 VAL H 1.800 . 5.000 4.463 4.463 4.463 . 0 0 "[ ]" 1
2 1 44 VAL HB 1 45 LEU H 1.800 . 5.000 4.158 4.158 4.158 . 0 0 "[ ]" 1
3 1 44 VAL MG1 1 45 LEU H 1.800 . 5.500 2.620 2.620 2.620 . 0 0 "[ ]" 1
4 1 44 VAL MG2 1 45 LEU H 1.800 . 5.500 4.036 4.036 4.036 . 0 0 "[ ]" 1
5 1 45 LEU H 1 45 LEU MD1 1.800 . 5.500 4.258 4.258 4.258 . 0 0 "[ ]" 1
6 1 45 LEU H 1 45 LEU MD2 1.800 . 5.500 4.284 4.284 4.284 . 0 0 "[ ]" 1
7 1 45 LEU H 1 45 LEU HG 1.800 . 5.000 3.662 3.662 3.662 . 0 0 "[ ]" 1
8 1 46 LYS QB 1 47 GLU H 1.800 . 5.000 2.915 2.915 2.915 . 0 0 "[ ]" 1
9 1 46 LYS QD 1 47 GLU H 1.800 . 5.000 4.422 4.422 4.422 . 0 0 "[ ]" 1
10 1 46 LYS QG 1 47 GLU H 1.800 . 5.000 2.340 2.340 2.340 . 0 0 "[ ]" 1
11 1 47 GLU H 1 47 GLU QB 1.800 . 2.900 2.279 2.279 2.279 . 0 0 "[ ]" 1
12 1 49 VAL H 1 49 VAL MG1 1.800 . 3.400 2.329 2.329 2.329 . 0 0 "[ ]" 1
13 1 49 VAL H 1 49 VAL MG2 1.800 . 3.400 1.926 1.926 1.926 . 0 0 "[ ]" 1
14 1 49 VAL MG1 1 50 GLU H 1.800 . 4.000 3.921 3.921 3.921 . 0 0 "[ ]" 1
15 1 49 VAL MG2 1 50 GLU H 1.800 . 4.000 3.902 3.902 3.902 . 0 0 "[ ]" 1
16 1 50 GLU HB3 1 51 TYR H 1.800 . 5.000 4.136 4.136 4.136 . 0 0 "[ ]" 1
17 1 50 GLU HB2 1 51 TYR H 1.800 . 5.000 4.635 4.635 4.635 . 0 0 "[ ]" 1
18 1 16 LEU HA 1 54 LYS H 1.800 . 5.000 4.815 4.815 4.815 . 0 0 "[ ]" 1
19 1 16 LEU HG 1 54 LYS H 1.800 . 5.000 4.306 4.306 4.306 . 0 0 "[ ]" 1
20 1 17 THR MG 1 54 LYS H 1.800 . 5.500 4.138 4.138 4.138 . 0 0 "[ ]" 1
21 1 18 LEU HG 1 54 LYS H 1.800 . 5.000 3.842 3.842 3.842 . 0 0 "[ ]" 1
22 1 53 ILE HB 1 54 LYS H 1.800 . 5.000 4.168 4.168 4.168 . 0 0 "[ ]" 1
23 1 53 ILE MG 1 54 LYS H 1.800 . 5.500 2.567 2.567 2.567 . 0 0 "[ ]" 1
24 1 55 ILE MG 1 57 PHE H 1.800 . 5.500 4.427 4.427 4.427 . 0 0 "[ ]" 1
25 1 12 VAL MG1 1 58 ARG H 1.800 . 5.500 5.017 5.017 5.017 . 0 0 "[ ]" 1
26 1 59 VAL MG1 1 60 ASN H 1.800 . 4.000 3.590 3.590 3.590 . 0 0 "[ ]" 1
27 1 59 VAL MG2 1 60 ASN H 1.800 . 5.500 4.336 4.336 4.336 . 0 0 "[ ]" 1
28 1 10 ASN HA 1 61 ARG H 1.800 . 6.000 3.704 3.704 3.704 . 0 0 "[ ]" 1
29 1 59 VAL MG1 1 61 ARG H 1.800 . 5.500 3.212 3.212 3.212 . 0 0 "[ ]" 1
30 1 60 ASN H 1 61 ARG QB 1.800 . 6.000 3.555 3.555 3.555 . 0 0 "[ ]" 1
31 1 10 ASN HA 1 62 GLU H 1.800 . 5.000 3.662 3.662 3.662 . 0 0 "[ ]" 1
32 1 59 VAL MG1 1 62 GLU H 1.800 . 4.000 3.700 3.700 3.700 . 0 0 "[ ]" 1
33 1 60 ASN HA 1 62 GLU H 1.800 . 6.000 5.309 5.309 5.309 . 0 0 "[ ]" 1
34 1 61 ARG QB 1 62 GLU H 1.800 . 5.000 1.986 1.986 1.986 . 0 0 "[ ]" 1
35 1 63 ILE H 1 63 ILE HB 1.800 . 3.500 2.395 2.395 2.395 . 0 0 "[ ]" 1
36 1 63 ILE H 1 63 ILE QG 1.800 . 5.000 2.083 2.083 2.083 . 0 0 "[ ]" 1
37 1 63 ILE HB 1 64 VAL H 1.800 . 5.000 4.388 4.388 4.388 . 0 0 "[ ]" 1
38 1 63 ILE QG 1 64 VAL H 1.800 . 5.000 4.340 4.340 4.340 . 0 0 "[ ]" 1
39 1 63 ILE MG 1 64 VAL H 1.800 . 3.400 3.090 3.090 3.090 . 0 0 "[ ]" 1
40 1 64 VAL H 1 64 VAL HB 1.800 . 3.500 2.381 2.381 2.381 . 0 0 "[ ]" 1
41 1 63 ILE HA 1 65 SER H 1.800 . 6.000 5.098 5.098 5.098 . 0 0 "[ ]" 1
42 1 63 ILE MG 1 65 SER H 1.800 . 5.500 3.311 3.311 3.311 . 0 0 "[ ]" 1
43 1 64 VAL MG1 1 65 SER H 1.800 . 5.500 3.627 3.627 3.627 . 0 0 "[ ]" 1
44 1 57 PHE H 1 67 MET ME 1.800 . 6.500 4.876 4.876 4.876 . 0 0 "[ ]" 1
45 1 64 VAL MG1 1 67 MET H 1.800 . 5.500 3.756 3.756 3.756 . 0 0 "[ ]" 1
46 1 67 MET H 1 67 MET QB 1.800 . 2.900 2.145 2.145 2.145 . 0 0 "[ ]" 1
47 1 67 MET HG3 1 68 LYS H 1.800 . 5.000 3.789 3.789 3.789 . 0 0 "[ ]" 1
48 1 67 MET HG2 1 68 LYS H 1.800 . 5.000 2.315 2.315 2.315 . 0 0 "[ ]" 1
49 1 69 TYR H 1 69 TYR QD 1.800 . 5.000 4.243 4.243 4.243 . 0 0 "[ ]" 1
50 1 67 MET H 1 87 VAL HB 1.800 . 5.000 4.310 4.310 4.310 . 0 0 "[ ]" 1
51 1 67 MET H 1 87 VAL MG1 1.800 . 5.500 5.130 5.130 5.130 . 0 0 "[ ]" 1
52 1 68 LYS H 1 87 VAL MG1 1.800 . 5.500 5.510 5.510 5.510 0.010 1 0 "[ ]" 1
53 1 67 MET HB3 1 88 GLY H 1.800 . 5.000 2.252 2.252 2.252 . 0 0 "[ ]" 1
54 1 67 MET HB2 1 88 GLY H 1.800 . 5.000 3.549 3.549 3.549 . 0 0 "[ ]" 1
55 1 68 LYS HA 1 88 GLY H 1.800 . 5.000 4.576 4.576 4.576 . 0 0 "[ ]" 1
56 1 86 MET QG 1 88 GLY H 1.800 . 5.000 3.949 3.949 3.949 . 0 0 "[ ]" 1
57 1 87 VAL HB 1 88 GLY H 1.800 . 3.500 2.009 2.009 2.009 . 0 0 "[ ]" 1
58 1 65 SER H 1 89 SER HA 1.800 . 6.000 4.762 4.762 4.762 . 0 0 "[ ]" 1
59 1 63 ILE HA 1 90 TYR H 1.800 . 5.000 4.499 4.499 4.499 . 0 0 "[ ]" 1
60 1 63 ILE MG 1 90 TYR H 1.800 . 5.500 3.356 3.356 3.356 . 0 0 "[ ]" 1
61 1 64 VAL HB 1 90 TYR H 1.800 . 5.000 3.673 3.673 3.673 . 0 0 "[ ]" 1
62 1 59 VAL MG1 1 91 GLY H 1.800 . 5.500 4.088 4.088 4.088 . 0 0 "[ ]" 1
63 1 63 ILE HA 1 91 GLY H 1.800 . 5.000 4.628 4.628 4.628 . 0 0 "[ ]" 1
64 1 90 TYR HB3 1 91 GLY H 1.800 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
65 1 90 TYR HB2 1 91 GLY H 1.800 . 5.000 4.308 4.308 4.308 . 0 0 "[ ]" 1
66 1 64 VAL H 1 92 PRO HD3 1.800 . 6.000 3.959 3.959 3.959 . 0 0 "[ ]" 1
67 1 64 VAL H 1 92 PRO HD2 1.800 . 6.000 5.199 5.199 5.199 . 0 0 "[ ]" 1
68 1 91 GLY H 1 92 PRO QD 1.800 . 5.000 4.456 4.456 4.456 . 0 0 "[ ]" 1
69 1 59 VAL MG1 1 93 ARG H 1.800 . 5.500 4.092 4.092 4.092 . 0 0 "[ ]" 1
70 1 92 PRO QD 1 93 ARG H 1.800 . 5.000 5.011 5.011 5.011 0.011 1 0 "[ ]" 1
71 1 57 PHE H 1 96 GLU HB3 1.800 . 5.000 3.828 3.828 3.828 . 0 0 "[ ]" 1
72 1 57 PHE H 1 96 GLU HB2 1.800 . 5.000 2.237 2.237 2.237 . 0 0 "[ ]" 1
73 1 58 ARG QG 1 96 GLU H 1.800 . 5.000 2.934 2.934 2.934 . 0 0 "[ ]" 1
74 1 96 GLU HB3 1 97 TYR H 1.800 . 5.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
75 1 96 GLU HB2 1 97 TYR H 1.800 . 5.000 2.096 2.096 2.096 . 0 0 "[ ]" 1
76 1 96 GLU QG 1 97 TYR H 1.800 . 6.000 3.237 3.237 3.237 . 0 0 "[ ]" 1
77 1 51 TYR H 1 103 MET HA 1.800 . 6.000 3.881 3.881 3.881 . 0 0 "[ ]" 1
78 1 51 TYR H 1 104 GLU HA 1.800 . 6.000 4.823 4.823 4.823 . 0 0 "[ ]" 1
79 1 73 THR MG 1 117 ASN H 1.800 . 5.500 5.345 5.345 5.345 . 0 0 "[ ]" 1
80 1 117 ASN H 1 117 ASN QD 1.800 . 6.000 4.620 4.620 4.620 . 0 0 "[ ]" 1
81 1 118 ILE MG 1 120 SER H 1.800 . 5.500 3.810 3.810 3.810 . 0 0 "[ ]" 1
82 1 69 TYR QD 1 121 ARG H 1.800 . 5.000 4.792 4.792 4.792 . 0 0 "[ ]" 1
83 1 69 TYR QE 1 121 ARG H 1.800 . 5.000 4.961 4.961 4.961 . 0 0 "[ ]" 1
84 1 70 ILE HB 1 121 ARG H 1.800 . 3.500 2.524 2.524 2.524 . 0 0 "[ ]" 1
85 1 70 ILE MG 1 121 ARG H 1.800 . 5.500 3.384 3.384 3.384 . 0 0 "[ ]" 1
86 1 68 LYS QB 1 123 THR H 1.800 . 5.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
87 1 70 ILE MD 1 123 THR H 1.800 . 5.500 4.518 4.518 4.518 . 0 0 "[ ]" 1
88 1 67 MET H 1 124 ASP HB3 1.800 . 6.000 5.666 5.666 5.666 . 0 0 "[ ]" 1
89 1 67 MET H 1 124 ASP HB2 1.800 . 6.000 4.937 4.937 4.937 . 0 0 "[ ]" 1
90 1 68 LYS H 1 124 ASP HB3 1.800 . 6.000 4.610 4.610 4.610 . 0 0 "[ ]" 1
91 1 68 LYS H 1 124 ASP HB2 1.800 . 5.000 5.021 5.021 5.021 0.021 1 0 "[ ]" 1
92 1 64 VAL MG1 1 125 ASP H 1.800 . 5.500 4.014 4.014 4.014 . 0 0 "[ ]" 1
93 1 123 THR MG 1 128 THR H 1.800 . 6.500 5.822 5.822 5.822 . 0 0 "[ ]" 1
94 1 127 ARG QB 1 128 THR H 1.800 . 5.000 2.485 2.485 2.485 . 0 0 "[ ]" 1
95 1 127 ARG QG 1 128 THR H 1.800 . 5.000 4.304 4.304 4.304 . 0 0 "[ ]" 1
96 1 122 PHE QB 1 130 HIS H 1.800 . 6.000 3.695 3.695 3.695 . 0 0 "[ ]" 1
97 1 124 ASP H 1 130 HIS HD2 1.800 . 5.000 4.475 4.475 4.475 . 0 0 "[ ]" 1
98 1 13 VAL MG2 1 131 LEU H 1.800 . 5.500 4.074 4.074 4.074 . 0 0 "[ ]" 1
99 1 131 LEU H 1 131 LEU MD1 1.800 . 5.500 4.349 4.349 4.349 . 0 0 "[ ]" 1
100 1 131 LEU H 1 131 LEU MD2 1.800 . 5.500 4.731 4.731 4.731 . 0 0 "[ ]" 1
101 1 35 LEU MD1 1 132 SER H 1.800 . 6.500 4.641 4.641 4.641 . 0 0 "[ ]" 1
102 1 131 LEU MD1 1 132 SER H 1.800 . 3.200 2.963 2.963 2.963 . 0 0 "[ ]" 1
103 1 131 LEU MD2 1 132 SER H 1.800 . 5.500 3.754 3.754 3.754 . 0 0 "[ ]" 1
104 1 131 LEU HG 1 132 SER H 1.800 . 3.500 2.004 2.004 2.004 . 0 0 "[ ]" 1
105 1 120 SER HB3 1 133 TRP H 1.800 . 6.000 4.860 4.860 4.860 . 0 0 "[ ]" 1
106 1 120 SER HB2 1 133 TRP H 1.800 . 6.000 3.235 3.235 3.235 . 0 0 "[ ]" 1
107 1 131 LEU MD2 1 133 TRP H 1.800 . 5.500 5.272 5.272 5.272 . 0 0 "[ ]" 1
108 1 132 SER H 1 133 TRP HE3 1.800 . 5.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
109 1 133 TRP H 1 133 TRP HE3 1.800 . 3.500 2.295 2.295 2.295 . 0 0 "[ ]" 1
110 1 35 LEU MD2 1 134 GLU H 1.800 . 5.500 3.862 3.862 3.862 . 0 0 "[ ]" 1
111 1 133 TRP HD1 1 134 GLU H 1.800 . 5.000 2.700 2.700 2.700 . 0 0 "[ ]" 1
112 1 118 ILE QG 1 135 TRP H 1.800 . 6.000 4.356 4.356 4.356 . 0 0 "[ ]" 1
113 1 118 ILE MG 1 135 TRP H 1.800 . 5.500 4.332 4.332 4.332 . 0 0 "[ ]" 1
114 1 133 TRP HD1 1 135 TRP H 1.800 . 5.000 3.915 3.915 3.915 . 0 0 "[ ]" 1
115 1 134 GLU H 1 135 TRP HD1 1.800 . 5.000 3.748 3.748 3.748 . 0 0 "[ ]" 1
116 1 29 LEU MD1 1 136 ASN H 1.800 . 5.500 5.373 5.373 5.373 . 0 0 "[ ]" 1
117 1 118 ILE HG12 1 137 LEU H 1.800 . 6.000 4.609 4.609 4.609 . 0 0 "[ ]" 1
118 1 137 LEU H 1 137 LEU MD1 1.800 . 5.500 4.055 4.055 4.055 . 0 0 "[ ]" 1
119 1 42 SER QB 1 138 THR H 1.800 . 5.000 2.614 2.614 2.614 . 0 0 "[ ]" 1
120 1 43 PHE QB 1 138 THR H 1.800 . 5.000 3.338 3.338 3.338 . 0 0 "[ ]" 1
121 1 44 VAL MG1 1 138 THR H 1.800 . 6.500 5.318 5.318 5.318 . 0 0 "[ ]" 1
122 1 44 VAL MG2 1 138 THR H 1.800 . 5.500 4.313 4.313 4.313 . 0 0 "[ ]" 1
123 1 45 LEU H 1 138 THR MG 1.800 . 5.500 3.749 3.749 3.749 . 0 0 "[ ]" 1
124 1 137 LEU MD1 1 138 THR H 1.800 . 4.000 3.540 3.540 3.540 . 0 0 "[ ]" 1
125 1 47 GLU H 1 139 ILE MG 1.800 . 5.500 3.510 3.510 3.510 . 0 0 "[ ]" 1
126 1 49 VAL H 1 139 ILE MD 1.800 . 6.500 4.013 4.013 4.013 . 0 0 "[ ]" 1
127 1 114 GLY QA 1 139 ILE H 1.800 . 5.000 3.837 3.837 3.837 . 0 0 "[ ]" 1
128 1 138 THR MG 1 139 ILE H 1.800 . 4.000 3.242 3.242 3.242 . 0 0 "[ ]" 1
129 1 139 ILE H 1 139 ILE MD 1.800 . 5.500 3.293 3.293 3.293 . 0 0 "[ ]" 1
130 1 139 ILE H 1 139 ILE QG 1.800 . 3.500 2.124 2.124 2.124 . 0 0 "[ ]" 1
131 1 139 ILE H 1 139 ILE MG 1.800 . 4.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
132 1 44 VAL MG1 1 140 LYS H 1.800 . 5.500 4.878 4.878 4.878 . 0 0 "[ ]" 1
133 1 47 GLU HA 1 140 LYS H 1.800 . 6.000 4.012 4.012 4.012 . 0 0 "[ ]" 1
134 1 138 THR MG 1 140 LYS H 1.800 . 5.500 5.113 5.113 5.113 . 0 0 "[ ]" 1
135 1 139 ILE QG 1 140 LYS H 1.800 . 6.000 4.507 4.507 4.507 . 0 0 "[ ]" 1
136 1 139 ILE MG 1 140 LYS H 1.800 . 4.000 2.110 2.110 2.110 . 0 0 "[ ]" 1
137 1 113 ARG QD 1 141 LYS H 1.800 . 6.000 5.046 5.046 5.046 . 0 0 "[ ]" 1
138 1 141 LYS H 1 141 LYS QB 1.800 . 2.900 2.390 2.390 2.390 . 0 0 "[ ]" 1
139 1 140 LYS QB 1 142 GLU H 1.800 . 3.500 2.967 2.967 2.967 . 0 0 "[ ]" 1
140 1 140 LYS QG 1 142 GLU H 1.800 . 5.000 3.217 3.217 3.217 . 0 0 "[ ]" 1
141 1 141 LYS QB 1 142 GLU H 1.800 . 5.000 2.699 2.699 2.699 . 0 0 "[ ]" 1
142 1 46 LYS HB3 1 143 TRP H 1.800 . 6.000 4.808 4.808 4.808 . 0 0 "[ ]" 1
143 1 46 LYS HB2 1 143 TRP H 1.800 . 6.000 3.693 3.693 3.693 . 0 0 "[ ]" 1
144 1 46 LYS QD 1 143 TRP H 1.800 . 5.000 3.224 3.224 3.224 . 0 0 "[ ]" 1
145 1 46 LYS QE 1 143 TRP H 1.800 . 5.000 4.892 4.892 4.892 . 0 0 "[ ]" 1
146 1 142 GLU H 1 143 TRP HD1 1.800 . 6.000 4.515 4.515 4.515 . 0 0 "[ ]" 1
147 1 142 GLU QG 1 143 TRP H 1.800 . 5.000 4.506 4.506 4.506 . 0 0 "[ ]" 1
148 1 143 TRP H 1 143 TRP HD1 1.800 . 3.500 1.937 1.937 1.937 . 0 0 "[ ]" 1
149 1 143 TRP HA 1 144 LYS H 1.800 . 6.000 3.488 3.488 3.488 . 0 0 "[ ]" 1
150 1 143 TRP HD1 1 144 LYS H 1.800 . 5.000 1.996 1.996 1.996 . 0 0 "[ ]" 1
151 1 6 PRO QB 1 7 ASN QD 1.800 . 6.000 5.993 5.993 5.993 . 0 0 "[ ]" 1
152 1 47 GLU QG 1 48 GLY H 1.800 . 6.000 4.100 4.100 4.100 . 0 0 "[ ]" 1
153 1 48 GLY H 1 49 VAL MG2 1.800 . 6.500 4.472 4.472 4.472 . 0 0 "[ ]" 1
154 1 12 VAL HA 1 58 ARG H 1.800 . 6.000 5.536 5.536 5.536 . 0 0 "[ ]" 1
155 1 57 PHE QD 1 59 VAL H 1.800 . 6.000 5.068 5.068 5.068 . 0 0 "[ ]" 1
156 1 61 ARG H 1 62 GLU QB 1.800 . 5.000 4.761 4.761 4.761 . 0 0 "[ ]" 1
157 1 66 GLY H 1 67 MET QB 1.800 . 5.000 3.528 3.528 3.528 . 0 0 "[ ]" 1
158 1 66 GLY H 1 67 MET QG 1.800 . 6.000 5.285 5.285 5.285 . 0 0 "[ ]" 1
159 1 74 TYR QD 1 80 ILE H 1.800 . 6.000 4.846 4.846 4.846 . 0 0 "[ ]" 1
160 1 74 TYR QE 1 80 ILE H 1.800 . 6.000 5.678 5.678 5.678 . 0 0 "[ ]" 1
161 1 64 VAL H 1 89 SER HA 1.800 . 6.000 5.133 5.133 5.133 . 0 0 "[ ]" 1
162 1 87 VAL MG1 1 89 SER H 1.800 . 6.500 5.503 5.503 5.503 . 0 0 "[ ]" 1
163 1 60 ASN HA 1 93 ARG H 1.800 . 5.000 4.130 4.130 4.130 . 0 0 "[ ]" 1
164 1 57 PHE H 1 97 TYR QD 1.800 . 6.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
165 1 57 PHE QD 1 97 TYR H 1.800 . 5.000 3.879 3.879 3.879 . 0 0 "[ ]" 1
166 1 57 PHE QE 1 97 TYR H 1.800 . 6.000 4.120 4.120 4.120 . 0 0 "[ ]" 1
167 1 58 ARG HA 1 97 TYR H 1.800 . 5.000 4.109 4.109 4.109 . 0 0 "[ ]" 1
168 1 59 VAL H 1 97 TYR QD 1.800 . 5.000 4.072 4.072 4.072 . 0 0 "[ ]" 1
169 1 97 TYR H 1 97 TYR QE 1.800 . 5.000 4.859 4.859 4.859 . 0 0 "[ ]" 1
170 1 57 PHE QD 1 98 GLU H 1.800 . 6.000 5.970 5.970 5.970 . 0 0 "[ ]" 1
171 1 57 PHE QE 1 98 GLU H 1.800 . 5.000 4.731 4.731 4.731 . 0 0 "[ ]" 1
172 1 50 GLU H 1 105 GLU HA 1.800 . 5.000 4.127 4.127 4.127 . 0 0 "[ ]" 1
173 1 49 VAL H 1 106 ALA HA 1.800 . 6.000 4.945 4.945 4.945 . 0 0 "[ ]" 1
174 1 48 GLY H 1 108 LYS HA 1.800 . 6.000 2.753 2.753 2.753 . 0 0 "[ ]" 1
175 1 116 TYR QD 1 117 ASN H 1.800 . 5.000 4.690 4.690 4.690 . 0 0 "[ ]" 1
176 1 74 TYR QD 1 119 LYS H 1.800 . 5.000 3.389 3.389 3.389 . 0 0 "[ ]" 1
177 1 74 TYR QE 1 119 LYS H 1.800 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
178 1 120 SER HA 1 122 PHE H 1.800 . 6.000 5.630 5.630 5.630 . 0 0 "[ ]" 1
179 1 70 ILE QG 1 123 THR H 1.800 . 6.000 4.330 4.330 4.330 . 0 0 "[ ]" 1
180 1 122 PHE QD 1 123 THR H 1.800 . 5.000 3.963 3.963 3.963 . 0 0 "[ ]" 1
181 1 130 HIS HD2 1 131 LEU H 1.800 . 6.000 4.899 4.899 4.899 . 0 0 "[ ]" 1
182 1 122 PHE H 1 133 TRP HE3 1.800 . 6.000 4.139 4.139 4.139 . 0 0 "[ ]" 1
183 1 122 PHE H 1 133 TRP HZ3 1.800 . 5.000 2.930 2.930 2.930 . 0 0 "[ ]" 1
184 1 132 SER H 1 133 TRP HZ3 1.800 . 6.000 5.007 5.007 5.007 . 0 0 "[ ]" 1
185 1 133 TRP H 1 133 TRP HD1 1.800 . 6.000 4.540 4.540 4.540 . 0 0 "[ ]" 1
186 1 133 TRP H 1 133 TRP HZ3 1.800 . 5.000 4.010 4.010 4.010 . 0 0 "[ ]" 1
187 1 35 LEU QB 1 134 GLU H 1.800 . 6.000 4.987 4.987 4.987 . 0 0 "[ ]" 1
188 1 35 LEU MD1 1 134 GLU H 1.800 . 5.500 4.937 4.937 4.937 . 0 0 "[ ]" 1
189 1 133 TRP HE1 1 135 TRP H 1.800 . 6.000 4.660 4.660 4.660 . 0 0 "[ ]" 1
190 1 135 TRP HE3 1 136 ASN H 1.800 . 6.000 4.301 4.301 4.301 . 0 0 "[ ]" 1
191 1 116 TYR QD 1 137 LEU H 1.800 . 5.000 4.257 4.257 4.257 . 0 0 "[ ]" 1
192 1 137 LEU H 1 137 LEU MD2 1.800 . 5.500 4.349 4.349 4.349 . 0 0 "[ ]" 1
193 1 49 VAL H 1 139 ILE MG 1.800 . 5.500 4.628 4.628 4.628 . 0 0 "[ ]" 1
194 1 116 TYR QD 1 139 ILE H 1.800 . 5.000 3.220 3.220 3.220 . 0 0 "[ ]" 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 147
_Distance_constraint_stats_list.Viol_count 12
_Distance_constraint_stats_list.Viol_total 0.289
_Distance_constraint_stats_list.Viol_max 0.060
_Distance_constraint_stats_list.Viol_rms 0.0081
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0241
_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 10 ASN 0.000 0.000 . 0 "[ ]"
1 11 VAL 0.060 0.060 1 0 "[ ]"
1 12 VAL 0.060 0.060 1 0 "[ ]"
1 13 VAL 0.028 0.024 1 0 "[ ]"
1 14 THR 0.000 0.000 . 0 "[ ]"
1 15 ARG 0.000 0.000 . 0 "[ ]"
1 16 LEU 0.034 0.034 1 0 "[ ]"
1 17 THR 0.000 0.000 . 0 "[ ]"
1 28 GLU 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.034 0.034 1 0 "[ ]"
1 30 ASP 0.000 0.000 . 0 "[ ]"
1 31 LEU 0.024 0.024 1 0 "[ ]"
1 38 PHE 0.000 0.000 . 0 "[ ]"
1 43 PHE 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.027 0.027 1 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 47 GLU 0.000 0.000 . 0 "[ ]"
1 49 VAL 0.027 0.027 1 0 "[ ]"
1 51 TYR 0.000 0.000 . 0 "[ ]"
1 53 ILE 0.000 0.000 . 0 "[ ]"
1 55 ILE 0.025 0.025 1 0 "[ ]"
1 57 PHE 0.004 0.004 1 0 "[ ]"
1 59 VAL 0.000 0.000 . 0 "[ ]"
1 60 ASN 0.000 0.000 . 0 "[ ]"
1 64 VAL 0.000 0.000 1 0 "[ ]"
1 68 LYS 0.000 0.000 . 0 "[ ]"
1 69 TYR 0.058 0.034 1 0 "[ ]"
1 70 ILE 0.034 0.034 1 0 "[ ]"
1 71 GLN 0.027 0.027 1 0 "[ ]"
1 72 HIS 0.000 0.000 . 0 "[ ]"
1 73 THR 0.018 0.018 1 0 "[ ]"
1 84 ASP 0.000 0.000 . 0 "[ ]"
1 86 MET 0.000 0.000 . 0 "[ ]"
1 87 VAL 0.000 0.000 . 0 "[ ]"
1 88 GLY 0.000 0.000 . 0 "[ ]"
1 99 PHE 0.000 0.000 . 0 "[ ]"
1 100 LEU 0.000 0.000 . 0 "[ ]"
1 101 THR 0.000 0.000 . 0 "[ ]"
1 106 ALA 0.000 0.000 . 0 "[ ]"
1 107 PRO 0.000 0.000 . 0 "[ ]"
1 116 TYR 0.036 0.035 1 0 "[ ]"
1 117 ASN 0.000 0.000 . 0 "[ ]"
1 118 ILE 0.081 0.035 1 0 "[ ]"
1 119 LYS 0.000 0.000 . 0 "[ ]"
1 121 ARG 0.000 0.000 . 0 "[ ]"
1 122 PHE 0.000 0.000 . 0 "[ ]"
1 130 HIS 0.000 0.000 . 0 "[ ]"
1 131 LEU 0.000 0.000 . 0 "[ ]"
1 133 TRP 0.000 0.000 . 0 "[ ]"
1 134 GLU 0.000 0.000 . 0 "[ ]"
1 135 TRP 0.000 0.000 . 0 "[ ]"
1 136 ASN 0.000 0.000 . 0 "[ ]"
1 137 LEU 0.000 0.000 . 0 "[ ]"
1 139 ILE 0.000 0.000 . 0 "[ ]"
1 140 LYS 0.000 0.000 . 0 "[ ]"
1 143 TRP 0.000 0.000 . 0 "[ ]"
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 16 LEU QD 1 133 TRP HE1 1.800 . 5.500 2.718 2.718 2.718 . 0 0 "[ ]" 2
2 1 16 LEU HA 1 55 ILE HA 1.800 . 5.000 2.707 2.707 2.707 . 0 0 "[ ]" 2
3 1 10 ASN QD 1 11 VAL MG2 1.800 . 3.200 3.022 3.022 3.022 . 0 0 "[ ]" 2
4 1 11 VAL HA 1 11 VAL MG2 1.800 . 3.200 2.214 2.214 2.214 . 0 0 "[ ]" 2
5 1 11 VAL HA 1 11 VAL MG1 1.800 . 3.200 2.400 2.400 2.400 . 0 0 "[ ]" 2
6 1 11 VAL H 1 11 VAL MG1 1.800 . 5.500 3.828 3.828 3.828 . 0 0 "[ ]" 2
7 1 11 VAL MG1 1 12 VAL HA 1.800 . 5.500 3.602 3.602 3.602 . 0 0 "[ ]" 2
8 1 11 VAL MG2 1 12 VAL H 1.800 . 4.000 4.060 4.060 4.060 0.060 1 0 "[ ]" 2
9 1 12 VAL HA 1 13 VAL QG 1.800 . 3.800 3.519 3.519 3.519 . 0 0 "[ ]" 2
10 1 13 VAL HA 1 13 VAL QG 1.800 . 3.200 2.066 2.066 2.066 . 0 0 "[ ]" 2
11 1 13 VAL H 1 13 VAL MG2 1.800 . 5.500 1.961 1.961 1.961 . 0 0 "[ ]" 2
12 1 13 VAL MG2 1 14 THR H 1.800 . 6.500 4.239 4.239 4.239 . 0 0 "[ ]" 2
13 1 13 VAL MG1 1 15 ARG H 1.800 . 4.000 3.216 3.216 3.216 . 0 0 "[ ]" 2
14 1 16 LEU HA 1 16 LEU MD1 1.800 . 3.800 3.550 3.550 3.550 . 0 0 "[ ]" 2
15 1 16 LEU H 1 16 LEU MD2 1.800 . 5.500 3.905 3.905 3.905 . 0 0 "[ ]" 2
16 1 16 LEU MD2 1 17 THR H 1.800 . 5.500 3.088 3.088 3.088 . 0 0 "[ ]" 2
17 1 16 LEU MD2 1 28 GLU HA 1.800 . 5.500 3.969 3.969 3.969 . 0 0 "[ ]" 2
18 1 16 LEU MD1 1 29 LEU QB 1.800 . 3.200 3.234 3.234 3.234 0.034 1 0 "[ ]" 2
19 1 16 LEU MD1 1 29 LEU MD1 1.800 . 4.300 2.959 2.959 2.959 . 0 0 "[ ]" 2
20 1 29 LEU HA 1 29 LEU MD2 1.800 . 3.200 2.233 2.233 2.233 . 0 0 "[ ]" 2
21 1 29 LEU HA 1 29 LEU MD1 1.800 . 5.500 3.702 3.702 3.702 . 0 0 "[ ]" 2
22 1 29 LEU MD1 1 30 ASP H 1.800 . 6.500 4.765 4.765 4.765 . 0 0 "[ ]" 2
23 1 13 VAL HB 1 31 LEU MD1 1.800 . 5.500 3.494 3.494 3.494 . 0 0 "[ ]" 2
24 1 13 VAL MG1 1 31 LEU MD1 1.800 . 3.700 1.776 1.776 1.776 0.024 1 0 "[ ]" 2
25 1 15 ARG HA 1 31 LEU MD1 1.800 . 5.500 2.467 2.467 2.467 . 0 0 "[ ]" 2
26 1 16 LEU MD2 1 31 LEU MD1 1.800 . 6.000 3.748 3.748 3.748 . 0 0 "[ ]" 2
27 1 16 LEU H 1 31 LEU MD1 1.800 . 5.500 2.938 2.938 2.938 . 0 0 "[ ]" 2
28 1 29 LEU MD1 1 31 LEU MD1 1.800 . 6.000 3.752 3.752 3.752 . 0 0 "[ ]" 2
29 1 31 LEU HA 1 31 LEU MD1 1.800 . 3.800 3.651 3.651 3.651 . 0 0 "[ ]" 2
30 1 31 LEU H 1 31 LEU MD1 1.800 . 4.000 3.352 3.352 3.352 . 0 0 "[ ]" 2
31 1 29 LEU MD2 1 38 PHE HA 1.800 . 5.500 3.236 3.236 3.236 . 0 0 "[ ]" 2
32 1 29 LEU MD1 1 38 PHE QB 1.800 . 5.500 4.847 4.847 4.847 . 0 0 "[ ]" 2
33 1 29 LEU MD1 1 38 PHE QD 1.800 . 3.800 3.737 3.737 3.737 . 0 0 "[ ]" 2
34 1 29 LEU MD2 1 38 PHE QE 1.800 . 3.800 2.399 2.399 2.399 . 0 0 "[ ]" 2
35 1 29 LEU MD2 1 38 PHE HZ 1.800 . 5.500 2.496 2.496 2.496 . 0 0 "[ ]" 2
36 1 31 LEU MD2 1 38 PHE HZ 1.800 . 3.800 3.393 3.393 3.393 . 0 0 "[ ]" 2
37 1 16 LEU MD2 1 43 PHE QD 1.800 . 5.500 4.613 4.613 4.613 . 0 0 "[ ]" 2
38 1 16 LEU MD2 1 43 PHE HE2 1.800 . 3.800 3.401 3.401 3.401 . 0 0 "[ ]" 2
39 1 29 LEU MD1 1 43 PHE QD 1.800 . 5.500 3.263 3.263 3.263 . 0 0 "[ ]" 2
40 1 29 LEU MD1 1 43 PHE QE 1.800 . 5.500 2.198 2.198 2.198 . 0 0 "[ ]" 2
41 1 29 LEU MD2 1 43 PHE HZ 1.800 . 3.800 3.655 3.655 3.655 . 0 0 "[ ]" 2
42 1 45 LEU HA 1 45 LEU MD1 1.800 . 5.500 3.750 3.750 3.750 . 0 0 "[ ]" 2
43 1 45 LEU MD1 1 46 LYS H 1.800 . 5.500 4.143 4.143 4.143 . 0 0 "[ ]" 2
44 1 45 LEU MD1 1 49 VAL MG1 1.800 . 4.300 4.327 4.327 4.327 0.027 1 0 "[ ]" 2
45 1 45 LEU MD1 1 49 VAL H 1.800 . 5.500 4.439 4.439 4.439 . 0 0 "[ ]" 2
46 1 45 LEU MD1 1 51 TYR QD 1.800 . 3.800 3.307 3.307 3.307 . 0 0 "[ ]" 2
47 1 45 LEU MD1 1 51 TYR QE 1.800 . 5.500 3.248 3.248 3.248 . 0 0 "[ ]" 2
48 1 16 LEU HA 1 55 ILE MD 1.800 . 3.800 2.812 2.812 2.812 . 0 0 "[ ]" 2
49 1 16 LEU MD2 1 55 ILE MD 1.800 . 4.300 3.547 3.547 3.547 . 0 0 "[ ]" 2
50 1 55 ILE HA 1 55 ILE MD 1.800 . 3.800 1.965 1.965 1.965 . 0 0 "[ ]" 2
51 1 11 VAL MG1 1 57 PHE QD 1.800 . 3.800 1.966 1.966 1.966 . 0 0 "[ ]" 2
52 1 13 VAL MG2 1 57 PHE HA 1.800 . 6.500 4.843 4.843 4.843 . 0 0 "[ ]" 2
53 1 13 VAL MG2 1 57 PHE QB 1.800 . 3.800 3.297 3.297 3.297 . 0 0 "[ ]" 2
54 1 13 VAL MG1 1 57 PHE QB 1.800 . 3.800 3.804 3.804 3.804 0.004 1 0 "[ ]" 2
55 1 13 VAL MG2 1 57 PHE QD 1.800 . 5.500 4.562 4.562 4.562 . 0 0 "[ ]" 2
56 1 11 VAL MG1 1 59 VAL HA 1.800 . 5.500 4.201 4.201 4.201 . 0 0 "[ ]" 2
57 1 11 VAL MG1 1 59 VAL MG2 1.800 . 6.000 2.646 2.646 2.646 . 0 0 "[ ]" 2
58 1 11 VAL MG2 1 60 ASN H 1.800 . 5.500 4.168 4.168 4.168 . 0 0 "[ ]" 2
59 1 11 VAL MG2 1 64 VAL HB 1.800 . 5.500 2.649 2.649 2.649 . 0 0 "[ ]" 2
60 1 11 VAL MG2 1 64 VAL MG2 1.800 . 3.700 1.800 1.800 1.800 0.000 1 0 "[ ]" 2
61 1 16 LEU MD1 1 69 TYR QE 1.800 . 3.800 3.632 3.632 3.632 . 0 0 "[ ]" 2
62 1 55 ILE MD 1 69 TYR QD 1.800 . 3.800 3.825 3.825 3.825 0.025 1 0 "[ ]" 2
63 1 55 ILE MD 1 69 TYR QE 1.800 . 3.800 2.957 2.957 2.957 . 0 0 "[ ]" 2
64 1 68 LYS QE 1 70 ILE MG 1.800 . 5.500 5.130 5.130 5.130 . 0 0 "[ ]" 2
65 1 69 TYR HA 1 70 ILE MG 1.800 . 5.500 5.534 5.534 5.534 0.034 1 0 "[ ]" 2
66 1 70 ILE HA 1 70 ILE MG 1.800 . 3.200 2.367 2.367 2.367 . 0 0 "[ ]" 2
67 1 70 ILE MG 1 72 HIS HD2 1.800 . 3.800 2.249 2.249 2.249 . 0 0 "[ ]" 2
68 1 70 ILE MG 1 84 ASP HA 1.800 . 3.800 3.000 3.000 3.000 . 0 0 "[ ]" 2
69 1 70 ILE MG 1 84 ASP HB3 1.800 . 5.500 3.336 3.336 3.336 . 0 0 "[ ]" 2
70 1 70 ILE MG 1 84 ASP HB2 1.800 . 5.500 4.314 4.314 4.314 . 0 0 "[ ]" 2
71 1 69 TYR HB3 1 87 VAL MG2 1.800 . 3.800 2.706 2.706 2.706 . 0 0 "[ ]" 2
72 1 69 TYR H 1 87 VAL MG2 1.800 . 3.400 2.810 2.810 2.810 . 0 0 "[ ]" 2
73 1 86 MET HA 1 87 VAL MG2 1.800 . 3.800 3.636 3.636 3.636 . 0 0 "[ ]" 2
74 1 87 VAL HA 1 87 VAL MG2 1.800 . 3.200 2.340 2.340 2.340 . 0 0 "[ ]" 2
75 1 118 ILE MD 1 135 TRP HH2 1.800 . 3.800 2.987 2.987 2.987 . 0 0 "[ ]" 2
76 1 118 ILE MD 1 135 TRP HZ2 1.800 . 5.500 2.999 2.999 2.999 . 0 0 "[ ]" 2
77 1 71 GLN HE21 1 118 ILE MD 1.800 . 4.000 3.388 3.388 3.388 . 0 0 "[ ]" 2
78 1 71 GLN HE22 1 118 ILE MD 1.800 . 4.000 3.496 3.496 3.496 . 0 0 "[ ]" 2
79 1 53 ILE MD 1 71 GLN HE22 1.800 . 3.400 2.703 2.703 2.703 . 0 0 "[ ]" 2
80 1 53 ILE MD 1 71 GLN HE21 1.800 . 4.000 3.353 3.353 3.353 . 0 0 "[ ]" 2
81 1 87 VAL H 1 87 VAL MG2 1.800 . 3.400 2.095 2.095 2.095 . 0 0 "[ ]" 2
82 1 87 VAL MG2 1 88 GLY H 1.800 . 5.500 3.616 3.616 3.616 . 0 0 "[ ]" 2
83 1 71 GLN HE21 1 118 ILE MG 1.800 . 3.800 2.730 2.730 2.730 . 0 0 "[ ]" 2
84 1 71 GLN QG 1 118 ILE MG 1.800 . 3.200 1.773 1.773 1.773 0.027 1 0 "[ ]" 2
85 1 73 THR MG 1 118 ILE MD 1.800 . 3.700 3.512 3.512 3.512 . 0 0 "[ ]" 2
86 1 71 GLN HG2 1 118 ILE MD 1.800 . 5.500 3.735 3.735 3.735 . 0 0 "[ ]" 2
87 1 71 GLN HG3 1 118 ILE MD 1.800 . 5.500 3.803 3.803 3.803 . 0 0 "[ ]" 2
88 1 73 THR HA 1 118 ILE MD 1.800 . 3.800 3.818 3.818 3.818 0.018 1 0 "[ ]" 2
89 1 73 THR HA 1 118 ILE HG12 1.800 . 5.000 2.629 2.629 2.629 . 0 0 "[ ]" 2
90 1 73 THR HA 1 118 ILE HG13 1.800 . 6.000 4.287 4.287 4.287 . 0 0 "[ ]" 2
91 1 73 THR HA 1 118 ILE MG 1.800 . 5.500 2.638 2.638 2.638 . 0 0 "[ ]" 2
92 1 116 TYR HB2 1 118 ILE MD 1.800 . 3.800 3.835 3.835 3.835 0.035 1 0 "[ ]" 2
93 1 116 TYR HB3 1 118 ILE MD 1.800 . 3.800 3.801 3.801 3.801 0.001 1 0 "[ ]" 2
94 1 117 ASN HA 1 118 ILE MD 1.800 . 5.500 4.932 4.932 4.932 . 0 0 "[ ]" 2
95 1 117 ASN HA 1 118 ILE HG13 1.800 . 6.000 3.473 3.473 3.473 . 0 0 "[ ]" 2
96 1 117 ASN HA 1 118 ILE HG12 1.800 . 5.000 4.651 4.651 4.651 . 0 0 "[ ]" 2
97 1 117 ASN HA 1 118 ILE HB 1.800 . 5.000 4.660 4.660 4.660 . 0 0 "[ ]" 2
98 1 118 ILE HA 1 118 ILE QG 1.800 . 5.000 2.430 2.430 2.430 . 0 0 "[ ]" 2
99 1 118 ILE HA 1 118 ILE MG 1.800 . 3.200 2.319 2.319 2.319 . 0 0 "[ ]" 2
100 1 118 ILE H 1 118 ILE HG13 1.800 . 5.000 2.497 2.497 2.497 . 0 0 "[ ]" 2
101 1 118 ILE H 1 118 ILE MG 1.800 . 5.500 3.837 3.837 3.837 . 0 0 "[ ]" 2
102 1 118 ILE MG 1 119 LYS H 1.800 . 3.400 2.231 2.231 2.231 . 0 0 "[ ]" 2
103 1 70 ILE MG 1 121 ARG QD 1.800 . 5.500 4.315 4.315 4.315 . 0 0 "[ ]" 2
104 1 13 VAL MG2 1 122 PHE QB 1.800 . 3.800 2.213 2.213 2.213 . 0 0 "[ ]" 2
105 1 87 VAL MG2 1 122 PHE QE 1.800 . 3.800 2.818 2.818 2.818 . 0 0 "[ ]" 2
106 1 11 VAL MG1 1 130 HIS HA 1.800 . 5.500 5.144 5.144 5.144 . 0 0 "[ ]" 2
107 1 11 VAL MG1 1 130 HIS QB 1.800 . 5.500 3.250 3.250 3.250 . 0 0 "[ ]" 2
108 1 13 VAL MG2 1 131 LEU QB 1.800 . 3.800 2.668 2.668 2.668 . 0 0 "[ ]" 2
109 1 13 VAL MG2 1 131 LEU MD2 1.800 . 6.000 3.147 3.147 3.147 . 0 0 "[ ]" 2
110 1 31 LEU MD2 1 131 LEU MD2 1.800 . 3.700 2.630 2.630 2.630 . 0 0 "[ ]" 2
111 1 13 VAL MG1 1 133 TRP HH2 1.800 . 5.500 3.138 3.138 3.138 . 0 0 "[ ]" 2
112 1 13 VAL MG2 1 133 TRP HZ2 1.800 . 6.500 4.442 4.442 4.442 . 0 0 "[ ]" 2
113 1 13 VAL MG1 1 133 TRP HZ3 1.800 . 5.500 3.613 3.613 3.613 . 0 0 "[ ]" 2
114 1 31 LEU MD2 1 133 TRP HD1 1.800 . 3.800 3.433 3.433 3.433 . 0 0 "[ ]" 2
115 1 55 ILE MD 1 133 TRP HH2 1.800 . 3.800 3.207 3.207 3.207 . 0 0 "[ ]" 2
116 1 55 ILE MD 1 133 TRP HZ2 1.800 . 3.800 3.206 3.206 3.206 . 0 0 "[ ]" 2
117 1 118 ILE MG 1 134 GLU HA 1.800 . 6.500 4.755 4.755 4.755 . 0 0 "[ ]" 2
118 1 29 LEU MD1 1 135 TRP HA 1.800 . 5.500 4.837 4.837 4.837 . 0 0 "[ ]" 2
119 1 29 LEU MD1 1 135 TRP QB 1.800 . 5.500 2.684 2.684 2.684 . 0 0 "[ ]" 2
120 1 118 ILE MG 1 135 TRP HZ2 1.800 . 3.200 3.154 3.154 3.154 . 0 0 "[ ]" 2
121 1 118 ILE MD 1 135 TRP HZ3 1.800 . 5.500 3.355 3.355 3.355 . 0 0 "[ ]" 2
122 1 118 ILE MD 1 136 ASN HA 1.800 . 5.500 4.349 4.349 4.349 . 0 0 "[ ]" 2
123 1 118 ILE MD 1 137 LEU HA 1.800 . 5.500 4.267 4.267 4.267 . 0 0 "[ ]" 2
124 1 118 ILE HG13 1 137 LEU QB 1.800 . 5.000 3.176 3.176 3.176 . 0 0 "[ ]" 2
125 1 118 ILE MD 1 137 LEU MD1 1.800 . 3.700 3.182 3.182 3.182 . 0 0 "[ ]" 2
126 1 118 ILE HG13 1 137 LEU H 1.800 . 6.000 3.365 3.365 3.365 . 0 0 "[ ]" 2
127 1 45 LEU MD1 1 139 ILE MD 1.800 . 4.300 2.726 2.726 2.726 . 0 0 "[ ]" 2
128 1 45 LEU H 1 139 ILE MD 1.800 . 5.500 3.866 3.866 3.866 . 0 0 "[ ]" 2
129 1 47 GLU HA 1 139 ILE MD 1.800 . 5.500 3.860 3.860 3.860 . 0 0 "[ ]" 2
130 1 106 ALA HA 1 139 ILE MD 1.800 . 5.500 4.248 4.248 4.248 . 0 0 "[ ]" 2
131 1 107 PRO HD2 1 139 ILE MD 1.800 . 3.800 2.015 2.015 2.015 . 0 0 "[ ]" 2
132 1 107 PRO HD3 1 139 ILE MD 1.800 . 5.500 3.484 3.484 3.484 . 0 0 "[ ]" 2
133 1 107 PRO QG 1 139 ILE MD 1.800 . 6.500 2.847 2.847 2.847 . 0 0 "[ ]" 2
134 1 116 TYR QD 1 139 ILE MD 1.800 . 6.500 4.273 4.273 4.273 . 0 0 "[ ]" 2
135 1 116 TYR QE 1 139 ILE MD 1.800 . 5.500 4.650 4.650 4.650 . 0 0 "[ ]" 2
136 1 139 ILE MD 1 140 LYS H 1.800 . 4.000 3.543 3.543 3.543 . 0 0 "[ ]" 2
137 1 87 VAL MG2 1 99 PHE QD 1.800 . 3.800 3.266 3.266 3.266 . 0 0 "[ ]" 2
138 1 99 PHE QD 1 100 LEU H 1.800 . 3.500 2.576 2.576 2.576 . 0 0 "[ ]" 2
139 1 101 THR H 1 101 THR MG 1.800 . 3.200 2.253 2.253 2.253 . 0 0 "[ ]" 2
140 1 45 LEU MD1 1 143 TRP HZ3 1.800 . 6.500 4.496 4.496 4.496 . 0 0 "[ ]" 2
141 1 45 LEU MD1 1 49 VAL HB 1.800 . 6.500 5.140 5.140 5.140 . 0 0 "[ ]" 2
142 1 45 LEU MD1 1 143 TRP HH2 1.800 . 5.500 4.757 4.757 4.757 . 0 0 "[ ]" 2
143 1 43 PHE QB 1 45 LEU MD1 1.800 . 5.500 3.061 3.061 3.061 . 0 0 "[ ]" 2
144 1 45 LEU MD1 1 51 TYR HB3 1.800 . 5.500 4.275 4.275 4.275 . 0 0 "[ ]" 2
145 1 45 LEU MD1 1 51 TYR HB2 1.800 . 5.500 4.720 4.720 4.720 . 0 0 "[ ]" 2
146 1 118 ILE MD 1 137 LEU HG 1.800 . 5.500 4.414 4.414 4.414 . 0 0 "[ ]" 2
147 1 116 TYR HB2 1 137 LEU HG 1.800 . 5.500 4.259 4.259 4.259 . 0 0 "[ ]" 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 133
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 0.089
_Distance_constraint_stats_list.Viol_max 0.036
_Distance_constraint_stats_list.Viol_rms 0.0043
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0221
_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 8 VAL 0.000 0.000 . 0 "[ ]"
1 9 PRO 0.000 0.000 . 0 "[ ]"
1 10 ASN 0.000 0.000 . 0 "[ ]"
1 11 VAL 0.000 0.000 . 0 "[ ]"
1 12 VAL 0.000 0.000 . 0 "[ ]"
1 13 VAL 0.028 0.028 1 0 "[ ]"
1 14 THR 0.028 0.028 1 0 "[ ]"
1 15 ARG 0.000 0.000 . 0 "[ ]"
1 16 LEU 0.000 0.000 . 0 "[ ]"
1 17 THR 0.000 0.000 . 0 "[ ]"
1 18 LEU 0.000 0.000 . 0 "[ ]"
1 19 VAL 0.000 0.000 . 0 "[ ]"
1 20 CYS 0.000 0.000 . 0 "[ ]"
1 21 SER 0.000 0.000 . 0 "[ ]"
1 22 THR 0.000 0.000 . 0 "[ ]"
1 28 GLU 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.000 0.000 . 0 "[ ]"
1 30 ASP 0.000 0.000 . 0 "[ ]"
1 31 LEU 0.000 0.000 . 0 "[ ]"
1 32 THR 0.000 0.000 . 0 "[ ]"
1 34 ASP 0.000 0.000 . 0 "[ ]"
1 35 LEU 0.000 0.000 . 0 "[ ]"
1 37 SER 0.000 0.000 . 0 "[ ]"
1 38 PHE 0.000 0.000 . 0 "[ ]"
1 39 LYS 0.000 0.000 . 0 "[ ]"
1 40 LYS 0.000 0.000 . 0 "[ ]"
1 41 GLN 0.000 0.000 . 0 "[ ]"
1 43 PHE 0.000 0.000 . 0 "[ ]"
1 44 VAL 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.000 0.000 . 0 "[ ]"
1 47 GLU 0.000 0.000 . 0 "[ ]"
1 49 VAL 0.000 0.000 . 0 "[ ]"
1 51 TYR 0.036 0.036 1 0 "[ ]"
1 52 ARG 0.000 0.000 . 0 "[ ]"
1 54 LYS 0.000 0.000 . 0 "[ ]"
1 55 ILE 0.000 0.000 . 0 "[ ]"
1 56 SER 0.000 0.000 . 0 "[ ]"
1 57 PHE 0.000 0.000 . 0 "[ ]"
1 58 ARG 0.019 0.019 1 0 "[ ]"
1 59 VAL 0.000 0.000 . 0 "[ ]"
1 60 ASN 0.000 0.000 . 0 "[ ]"
1 61 ARG 0.000 0.000 . 0 "[ ]"
1 63 ILE 0.000 0.000 . 0 "[ ]"
1 64 VAL 0.000 0.000 . 0 "[ ]"
1 65 SER 0.000 0.000 . 0 "[ ]"
1 67 MET 0.000 0.000 . 0 "[ ]"
1 68 LYS 0.000 0.000 . 0 "[ ]"
1 70 ILE 0.000 0.000 . 0 "[ ]"
1 71 GLN 0.000 0.000 . 0 "[ ]"
1 72 HIS 0.000 0.000 . 0 "[ ]"
1 73 THR 0.000 0.000 . 0 "[ ]"
1 74 TYR 0.000 0.000 . 0 "[ ]"
1 75 ARG 0.000 0.000 . 0 "[ ]"
1 78 VAL 0.000 0.000 . 0 "[ ]"
1 82 LYS 0.000 0.000 . 0 "[ ]"
1 84 ASP 0.000 0.000 . 0 "[ ]"
1 87 VAL 0.000 0.000 . 0 "[ ]"
1 89 SER 0.000 0.000 . 0 "[ ]"
1 90 TYR 0.000 0.000 . 0 "[ ]"
1 92 PRO 0.000 0.000 . 0 "[ ]"
1 96 GLU 0.019 0.019 1 0 "[ ]"
1 97 TYR 0.000 0.000 . 0 "[ ]"
1 98 GLU 0.000 0.000 . 0 "[ ]"
1 99 PHE 0.000 0.000 . 0 "[ ]"
1 101 THR 0.000 0.000 . 0 "[ ]"
1 102 PRO 0.000 0.000 . 0 "[ ]"
1 106 ALA 0.036 0.036 1 0 "[ ]"
1 107 PRO 0.000 0.000 . 0 "[ ]"
1 110 MET 0.005 0.005 1 0 "[ ]"
1 113 ARG 0.005 0.005 1 0 "[ ]"
1 115 SER 0.000 0.000 . 0 "[ ]"
1 116 TYR 0.000 0.000 . 0 "[ ]"
1 118 ILE 0.000 0.000 . 0 "[ ]"
1 119 LYS 0.000 0.000 . 0 "[ ]"
1 120 SER 0.000 0.000 . 0 "[ ]"
1 121 ARG 0.000 0.000 . 0 "[ ]"
1 122 PHE 0.000 0.000 . 0 "[ ]"
1 130 HIS 0.000 0.000 . 0 "[ ]"
1 131 LEU 0.000 0.000 . 0 "[ ]"
1 132 SER 0.000 0.000 . 0 "[ ]"
1 133 TRP 0.000 0.000 . 0 "[ ]"
1 135 TRP 0.000 0.000 . 0 "[ ]"
1 137 LEU 0.000 0.000 . 0 "[ ]"
1 138 THR 0.000 0.000 . 0 "[ ]"
1 139 ILE 0.000 0.000 . 0 "[ ]"
1 140 LYS 0.000 0.000 . 0 "[ ]"
1 141 LYS 0.000 0.000 . 0 "[ ]"
1 143 TRP 0.000 0.000 . 0 "[ ]"
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 87 VAL MG2 1 122 PHE HZ 1.800 . 5.500 3.473 3.473 3.473 . 0 0 "[ ]" 3
2 1 67 MET QB 1 87 VAL MG2 1.800 . 5.500 3.376 3.376 3.376 . 0 0 "[ ]" 3
3 1 68 LYS HA 1 87 VAL MG2 1.800 . 3.800 2.734 2.734 2.734 . 0 0 "[ ]" 3
4 1 87 VAL MG2 1 99 PHE QE 1.800 . 5.500 3.082 3.082 3.082 . 0 0 "[ ]" 3
5 1 8 VAL HA 1 9 PRO QD 1.800 . 2.700 2.019 2.019 2.019 . 0 0 "[ ]" 3
6 1 13 VAL HA 1 13 VAL MG1 1.800 . 3.200 2.301 2.301 2.301 . 0 0 "[ ]" 3
7 1 13 VAL HA 1 14 THR MG 1.800 . 3.800 3.828 3.828 3.828 0.028 1 0 "[ ]" 3
8 1 21 SER HA 1 21 SER HB3 1.800 . 2.700 2.473 2.473 2.473 . 0 0 "[ ]" 3
9 1 21 SER HA 1 21 SER HB2 1.800 . 2.700 2.476 2.476 2.476 . 0 0 "[ ]" 3
10 1 21 SER HB3 1 22 THR MG 1.800 . 5.500 4.496 4.496 4.496 . 0 0 "[ ]" 3
11 1 17 THR MG 1 28 GLU HA 1.800 . 3.800 3.637 3.637 3.637 . 0 0 "[ ]" 3
12 1 15 ARG QB 1 30 ASP HA 1.800 . 5.000 4.616 4.616 4.616 . 0 0 "[ ]" 3
13 1 15 ARG QD 1 30 ASP HA 1.800 . 5.000 4.261 4.261 4.261 . 0 0 "[ ]" 3
14 1 15 ARG HG3 1 30 ASP HA 1.800 . 5.000 4.019 4.019 4.019 . 0 0 "[ ]" 3
15 1 15 ARG HG2 1 30 ASP HA 1.800 . 5.000 2.600 2.600 2.600 . 0 0 "[ ]" 3
16 1 29 LEU QB 1 30 ASP HA 1.800 . 5.000 4.485 4.485 4.485 . 0 0 "[ ]" 3
17 1 30 ASP HA 1 30 ASP HB2 1.800 . 2.700 2.684 2.684 2.684 . 0 0 "[ ]" 3
18 1 15 ARG HA 1 31 LEU HG 1.800 . 5.000 4.503 4.503 4.503 . 0 0 "[ ]" 3
19 1 30 ASP HA 1 31 LEU HG 1.800 . 5.000 4.486 4.486 4.486 . 0 0 "[ ]" 3
20 1 31 LEU HA 1 31 LEU MD2 1.800 . 3.200 2.798 2.798 2.798 . 0 0 "[ ]" 3
21 1 34 ASP QB 1 37 SER QB 1.800 . 5.000 3.385 3.385 3.385 . 0 0 "[ ]" 3
22 1 38 PHE HA 1 38 PHE HB3 1.800 . 2.700 2.663 2.663 2.663 . 0 0 "[ ]" 3
23 1 38 PHE HB2 1 39 LYS HA 1.800 . 5.000 4.731 4.731 4.731 . 0 0 "[ ]" 3
24 1 39 LYS HA 1 39 LYS HB3 1.800 . 2.700 2.447 2.447 2.447 . 0 0 "[ ]" 3
25 1 39 LYS HA 1 39 LYS HB2 1.800 . 2.700 2.496 2.496 2.496 . 0 0 "[ ]" 3
26 1 37 SER HA 1 40 LYS QD 1.800 . 5.000 3.229 3.229 3.229 . 0 0 "[ ]" 3
27 1 38 PHE HA 1 41 GLN QB 1.800 . 5.000 5.000 5.000 5.000 . 0 0 "[ ]" 3
28 1 38 PHE HA 1 41 GLN QG 1.800 . 5.000 2.823 2.823 2.823 . 0 0 "[ ]" 3
29 1 43 PHE HA 1 44 VAL MG2 1.800 . 5.500 3.685 3.685 3.685 . 0 0 "[ ]" 3
30 1 49 VAL HA 1 49 VAL HB 1.800 . 2.700 2.492 2.492 2.492 . 0 0 "[ ]" 3
31 1 13 VAL HA 1 55 ILE MG 1.800 . 5.500 3.386 3.386 3.386 . 0 0 "[ ]" 3
32 1 16 LEU QB 1 55 ILE HA 1.800 . 5.000 4.181 4.181 4.181 . 0 0 "[ ]" 3
33 1 16 LEU HA 1 55 ILE QG 1.800 . 5.000 4.562 4.562 4.562 . 0 0 "[ ]" 3
34 1 16 LEU HA 1 55 ILE MG 1.800 . 5.500 4.164 4.164 4.164 . 0 0 "[ ]" 3
35 1 15 ARG QB 1 56 SER QB 1.800 . 3.300 2.490 2.490 2.490 . 0 0 "[ ]" 3
36 1 13 VAL HA 1 57 PHE HB3 1.800 . 3.300 2.327 2.327 2.327 . 0 0 "[ ]" 3
37 1 13 VAL HA 1 57 PHE HB2 1.800 . 5.000 3.515 3.515 3.515 . 0 0 "[ ]" 3
38 1 14 THR MG 1 58 ARG HA 1.800 . 5.500 3.356 3.356 3.356 . 0 0 "[ ]" 3
39 1 11 VAL MG2 1 59 VAL HA 1.800 . 3.800 2.487 2.487 2.487 . 0 0 "[ ]" 3
40 1 11 VAL HA 1 59 VAL MG2 1.800 . 5.500 3.173 3.173 3.173 . 0 0 "[ ]" 3
41 1 59 VAL HA 1 59 VAL MG1 1.800 . 3.200 2.291 2.291 2.291 . 0 0 "[ ]" 3
42 1 59 VAL HA 1 59 VAL MG2 1.800 . 3.200 2.386 2.386 2.386 . 0 0 "[ ]" 3
43 1 10 ASN HA 1 60 ASN QB 1.800 . 5.000 4.641 4.641 4.641 . 0 0 "[ ]" 3
44 1 10 ASN HA 1 61 ARG QB 1.800 . 3.300 1.839 1.839 1.839 . 0 0 "[ ]" 3
45 1 10 ASN HA 1 61 ARG QG 1.800 . 5.000 3.316 3.316 3.316 . 0 0 "[ ]" 3
46 1 64 VAL HA 1 64 VAL MG2 1.800 . 3.200 2.268 2.268 2.268 . 0 0 "[ ]" 3
47 1 63 ILE MG 1 65 SER HA 1.800 . 5.500 3.821 3.821 3.821 . 0 0 "[ ]" 3
48 1 63 ILE MG 1 65 SER QB 1.800 . 5.500 2.758 2.758 2.758 . 0 0 "[ ]" 3
49 1 64 VAL MG1 1 65 SER HA 1.800 . 5.500 4.286 4.286 4.286 . 0 0 "[ ]" 3
50 1 64 VAL MG1 1 67 MET HA 1.800 . 5.500 3.204 3.204 3.204 . 0 0 "[ ]" 3
51 1 70 ILE HA 1 70 ILE QG 1.800 . 3.300 2.378 2.378 2.378 . 0 0 "[ ]" 3
52 1 70 ILE MG 1 71 GLN HA 1.800 . 5.500 3.402 3.402 3.402 . 0 0 "[ ]" 3
53 1 70 ILE HA 1 71 GLN QB 1.800 . 5.000 3.793 3.793 3.793 . 0 0 "[ ]" 3
54 1 73 THR MG 1 74 TYR HA 1.800 . 5.500 4.554 4.554 4.554 . 0 0 "[ ]" 3
55 1 78 VAL HA 1 78 VAL QG 1.800 . 3.200 2.071 2.071 2.071 . 0 0 "[ ]" 3
56 1 72 HIS HA 1 82 LYS QB 1.800 . 3.300 1.986 1.986 1.986 . 0 0 "[ ]" 3
57 1 70 ILE HA 1 84 ASP QB 1.800 . 5.000 3.635 3.635 3.635 . 0 0 "[ ]" 3
58 1 65 SER HB3 1 89 SER HA 1.800 . 5.000 4.599 4.599 4.599 . 0 0 "[ ]" 3
59 1 65 SER HB2 1 89 SER HA 1.800 . 5.000 4.561 4.561 4.561 . 0 0 "[ ]" 3
60 1 59 VAL MG2 1 90 TYR HA 1.800 . 5.500 4.723 4.723 4.723 . 0 0 "[ ]" 3
61 1 59 VAL MG2 1 90 TYR HB3 1.800 . 3.800 2.551 2.551 2.551 . 0 0 "[ ]" 3
62 1 59 VAL MG2 1 90 TYR HB2 1.800 . 3.800 2.863 2.863 2.863 . 0 0 "[ ]" 3
63 1 90 TYR HA 1 90 TYR HB3 1.800 . 2.700 2.500 2.500 2.500 . 0 0 "[ ]" 3
64 1 61 ARG HA 1 92 PRO QG 1.800 . 5.000 4.060 4.060 4.060 . 0 0 "[ ]" 3
65 1 63 ILE QG 1 92 PRO QD 1.800 . 3.300 1.838 1.838 1.838 . 0 0 "[ ]" 3
66 1 63 ILE H 1 92 PRO HD3 1.800 . 5.000 3.476 3.476 3.476 . 0 0 "[ ]" 3
67 1 63 ILE H 1 92 PRO HD2 1.800 . 5.000 3.610 3.610 3.610 . 0 0 "[ ]" 3
68 1 56 SER QB 1 96 GLU QB 1.800 . 5.000 3.409 3.409 3.409 . 0 0 "[ ]" 3
69 1 58 ARG QB 1 96 GLU HA 1.800 . 5.000 4.210 4.210 4.210 . 0 0 "[ ]" 3
70 1 58 ARG QG 1 96 GLU HA 1.800 . 3.300 3.319 3.319 3.319 0.019 1 0 "[ ]" 3
71 1 56 SER HA 1 98 GLU QG 1.800 . 5.000 3.777 3.777 3.777 . 0 0 "[ ]" 3
72 1 87 VAL MG1 1 99 PHE HA 1.800 . 5.500 3.680 3.680 3.680 . 0 0 "[ ]" 3
73 1 101 THR HA 1 102 PRO HD3 1.800 . 3.300 2.400 2.400 2.400 . 0 0 "[ ]" 3
74 1 101 THR HA 1 102 PRO HD2 1.800 . 3.300 2.405 2.405 2.405 . 0 0 "[ ]" 3
75 1 47 GLU HA 1 106 ALA MB 1.800 . 5.500 4.587 4.587 4.587 . 0 0 "[ ]" 3
76 1 51 TYR QD 1 106 ALA HA 1.800 . 5.000 5.036 5.036 5.036 0.036 1 0 "[ ]" 3
77 1 110 MET HA 1 113 ARG HD3 1.800 . 3.300 2.973 2.973 2.973 . 0 0 "[ ]" 3
78 1 110 MET HA 1 113 ARG HD2 1.800 . 3.300 3.305 3.305 3.305 0.005 1 0 "[ ]" 3
79 1 73 THR MG 1 116 TYR HA 1.800 . 5.500 4.647 4.647 4.647 . 0 0 "[ ]" 3
80 1 75 ARG QG 1 116 TYR HA 1.800 . 5.000 3.272 3.272 3.272 . 0 0 "[ ]" 3
81 1 71 GLN HA 1 118 ILE MG 1.800 . 5.500 3.273 3.273 3.273 . 0 0 "[ ]" 3
82 1 73 THR MG 1 118 ILE HA 1.800 . 5.500 4.266 4.266 4.266 . 0 0 "[ ]" 3
83 1 72 HIS HB3 1 119 LYS QB 1.800 . 5.000 3.257 3.257 3.257 . 0 0 "[ ]" 3
84 1 72 HIS HB2 1 119 LYS QB 1.800 . 5.000 1.849 1.849 1.849 . 0 0 "[ ]" 3
85 1 71 GLN QB 1 120 SER HA 1.800 . 5.000 3.450 3.450 3.450 . 0 0 "[ ]" 3
86 1 71 GLN QG 1 120 SER HA 1.800 . 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 3
87 1 131 LEU HA 1 131 LEU HG 1.800 . 3.300 2.665 2.665 2.665 . 0 0 "[ ]" 3
88 1 121 ARG QB 1 132 SER HA 1.800 . 5.000 4.632 4.632 4.632 . 0 0 "[ ]" 3
89 1 35 LEU MD1 1 133 TRP HA 1.800 . 3.800 3.797 3.797 3.797 . 0 0 "[ ]" 3
90 1 35 LEU MD2 1 133 TRP HA 1.800 . 5.500 4.104 4.104 4.104 . 0 0 "[ ]" 3
91 1 132 SER HA 1 133 TRP HZ3 1.800 . 5.000 3.046 3.046 3.046 . 0 0 "[ ]" 3
92 1 133 TRP HA 1 133 TRP HB3 1.800 . 2.700 2.477 2.477 2.477 . 0 0 "[ ]" 3
93 1 133 TRP HA 1 133 TRP HB2 1.800 . 2.700 2.473 2.473 2.473 . 0 0 "[ ]" 3
94 1 38 PHE HB3 1 135 TRP HA 1.800 . 5.000 2.956 2.956 2.956 . 0 0 "[ ]" 3
95 1 39 LYS HA 1 135 TRP HA 1.800 . 5.000 4.131 4.131 4.131 . 0 0 "[ ]" 3
96 1 43 PHE QB 1 137 LEU HA 1.800 . 5.000 2.221 2.221 2.221 . 0 0 "[ ]" 3
97 1 115 SER HB2 1 138 THR HA 1.800 . 5.000 4.409 4.409 4.409 . 0 0 "[ ]" 3
98 1 137 LEU HA 1 138 THR HB 1.800 . 5.000 4.596 4.596 4.596 . 0 0 "[ ]" 3
99 1 45 LEU QB 1 139 ILE HA 1.800 . 3.300 2.548 2.548 2.548 . 0 0 "[ ]" 3
100 1 107 PRO HD3 1 139 ILE QG 1.800 . 5.000 4.225 4.225 4.225 . 0 0 "[ ]" 3
101 1 107 PRO HD2 1 139 ILE QG 1.800 . 5.000 2.960 2.960 2.960 . 0 0 "[ ]" 3
102 1 139 ILE HA 1 139 ILE MD 1.800 . 3.200 1.967 1.967 1.967 . 0 0 "[ ]" 3
103 1 113 ARG QD 1 140 LYS HA 1.800 . 5.000 4.225 4.225 4.225 . 0 0 "[ ]" 3
104 1 138 THR MG 1 140 LYS HA 1.800 . 5.500 4.669 4.669 4.669 . 0 0 "[ ]" 3
105 1 47 GLU QG 1 141 LYS HA 1.800 . 3.300 2.477 2.477 2.477 . 0 0 "[ ]" 3
106 1 113 ARG QD 1 141 LYS HA 1.800 . 5.000 4.317 4.317 4.317 . 0 0 "[ ]" 3
107 1 113 ARG QG 1 141 LYS HA 1.800 . 5.000 4.323 4.323 4.323 . 0 0 "[ ]" 3
108 1 22 THR HB 1 143 TRP HZ2 1.800 . 5.000 4.979 4.979 4.979 . 0 0 "[ ]" 3
109 1 140 LYS QD 1 143 TRP HA 1.800 . 5.000 3.155 3.155 3.155 . 0 0 "[ ]" 3
110 1 9 PRO QB 1 12 VAL MG2 1.800 . 3.800 1.914 1.914 1.914 . 0 0 "[ ]" 3
111 1 11 VAL HA 1 12 VAL MG2 1.800 . 5.500 3.632 3.632 3.632 . 0 0 "[ ]" 3
112 1 12 VAL HA 1 12 VAL MG1 1.800 . 3.200 2.385 2.385 2.385 . 0 0 "[ ]" 3
113 1 17 THR HA 1 17 THR MG 1.800 . 3.200 2.181 2.181 2.181 . 0 0 "[ ]" 3
114 1 18 LEU HA 1 19 VAL MG2 1.800 . 5.500 3.903 3.903 3.903 . 0 0 "[ ]" 3
115 1 19 VAL HA 1 19 VAL MG1 1.800 . 3.200 2.338 2.338 2.338 . 0 0 "[ ]" 3
116 1 19 VAL MG1 1 20 CYS HA 1.800 . 3.800 3.442 3.442 3.442 . 0 0 "[ ]" 3
117 1 12 VAL MG1 1 32 THR HA 1.800 . 5.500 3.642 3.642 3.642 . 0 0 "[ ]" 3
118 1 44 VAL HA 1 44 VAL MG1 1.800 . 3.200 2.391 2.391 2.391 . 0 0 "[ ]" 3
119 1 44 VAL HA 1 44 VAL MG2 1.800 . 3.200 2.311 2.311 2.311 . 0 0 "[ ]" 3
120 1 19 VAL MG2 1 52 ARG QD 1.800 . 5.500 5.200 5.200 5.200 . 0 0 "[ ]" 3
121 1 17 THR MG 1 54 LYS QE 1.800 . 3.800 2.731 2.731 2.731 . 0 0 "[ ]" 3
122 1 19 VAL MG2 1 54 LYS QE 1.800 . 3.800 2.416 2.416 2.416 . 0 0 "[ ]" 3
123 1 57 PHE QD 1 59 VAL MG2 1.800 . 3.800 2.269 2.269 2.269 . 0 0 "[ ]" 3
124 1 57 PHE QE 1 59 VAL MG2 1.800 . 3.800 2.409 2.409 2.409 . 0 0 "[ ]" 3
125 1 11 VAL MG1 1 64 VAL MG2 1.800 . 3.700 3.337 3.337 3.337 . 0 0 "[ ]" 3
126 1 63 ILE HA 1 64 VAL MG2 1.800 . 3.800 3.762 3.762 3.762 . 0 0 "[ ]" 3
127 1 59 VAL MG2 1 97 TYR QD 1.800 . 3.800 2.432 2.432 2.432 . 0 0 "[ ]" 3
128 1 59 VAL MG2 1 97 TYR QE 1.800 . 3.800 2.811 2.811 2.811 . 0 0 "[ ]" 3
129 1 12 VAL MG2 1 130 HIS QB 1.800 . 3.800 3.116 3.116 3.116 . 0 0 "[ ]" 3
130 1 12 VAL MG1 1 131 LEU QB 1.800 . 3.800 2.187 2.187 2.187 . 0 0 "[ ]" 3
131 1 115 SER HA 1 138 THR MG 1.800 . 3.800 3.481 3.481 3.481 . 0 0 "[ ]" 3
132 1 44 VAL MG1 1 140 LYS QE 1.800 . 3.800 3.325 3.325 3.325 . 0 0 "[ ]" 3
133 1 44 VAL MG1 1 143 TRP HA 1.800 . 3.800 3.243 3.243 3.243 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 166
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 0.760
_Distance_constraint_stats_list.Viol_max 0.260
_Distance_constraint_stats_list.Viol_rms 0.0258
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0543
_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 11 VAL 0.260 0.260 1 0 "[ ]"
1 13 VAL 0.000 0.000 . 0 "[ ]"
1 15 ARG 0.000 0.000 . 0 "[ ]"
1 16 LEU 0.000 0.000 . 0 "[ ]"
1 18 LEU 0.000 0.000 . 0 "[ ]"
1 23 ALA 0.000 0.000 . 0 "[ ]"
1 24 PRO 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.000 0.000 . 0 "[ ]"
1 31 LEU 0.000 0.000 . 0 "[ ]"
1 35 LEU 0.000 0.000 . 0 "[ ]"
1 38 PHE 0.000 0.000 . 0 "[ ]"
1 43 PHE 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.000 0.000 . 0 "[ ]"
1 49 VAL 0.048 0.048 1 0 "[ ]"
1 51 TYR 0.000 0.000 . 0 "[ ]"
1 53 ILE 0.012 0.012 1 0 "[ ]"
1 55 ILE 0.000 0.000 . 0 "[ ]"
1 56 SER 0.000 0.000 . 0 "[ ]"
1 57 PHE 0.032 0.032 1 0 "[ ]"
1 58 ARG 0.000 0.000 . 0 "[ ]"
1 59 VAL 0.000 0.000 . 0 "[ ]"
1 64 VAL 0.000 0.000 . 0 "[ ]"
1 67 MET 0.000 0.000 . 0 "[ ]"
1 69 TYR 0.033 0.033 1 0 "[ ]"
1 71 GLN 0.000 0.000 . 0 "[ ]"
1 72 HIS 0.270 0.167 1 0 "[ ]"
1 73 THR 0.000 0.000 . 0 "[ ]"
1 74 TYR 0.000 0.000 . 0 "[ ]"
1 75 ARG 0.000 0.000 . 0 "[ ]"
1 77 GLY 0.000 0.000 . 0 "[ ]"
1 78 VAL 0.000 0.000 . 0 "[ ]"
1 79 LYS 0.000 0.000 . 0 "[ ]"
1 80 ILE 0.031 0.031 1 0 "[ ]"
1 82 LYS 0.103 0.103 1 0 "[ ]"
1 83 THR 0.000 0.000 . 0 "[ ]"
1 84 ASP 0.000 0.000 . 0 "[ ]"
1 85 TYR 0.064 0.033 1 0 "[ ]"
1 87 VAL 0.003 0.003 1 0 "[ ]"
1 88 GLY 0.009 0.009 1 0 "[ ]"
1 89 SER 0.000 0.000 . 0 "[ ]"
1 90 TYR 0.010 0.009 1 0 "[ ]"
1 92 PRO 0.000 0.000 . 0 "[ ]"
1 97 TYR 0.001 0.001 1 0 "[ ]"
1 98 GLU 0.000 0.000 . 0 "[ ]"
1 99 PHE 0.031 0.031 1 0 "[ ]"
1 101 THR 0.000 0.000 . 0 "[ ]"
1 102 PRO 0.000 0.000 . 0 "[ ]"
1 104 GLU 0.000 0.000 . 0 "[ ]"
1 106 ALA 0.000 0.000 . 0 "[ ]"
1 107 PRO 0.000 0.000 . 0 "[ ]"
1 113 ARG 0.000 0.000 . 0 "[ ]"
1 114 GLY 0.000 0.000 . 0 "[ ]"
1 115 SER 0.000 0.000 . 0 "[ ]"
1 116 TYR 0.063 0.031 1 0 "[ ]"
1 118 ILE 0.000 0.000 . 0 "[ ]"
1 119 LYS 0.167 0.167 1 0 "[ ]"
1 120 SER 0.000 0.000 . 0 "[ ]"
1 122 PHE 0.294 0.260 1 0 "[ ]"
1 123 THR 0.000 0.000 . 0 "[ ]"
1 130 HIS 0.000 0.000 . 0 "[ ]"
1 131 LEU 0.000 0.000 . 0 "[ ]"
1 132 SER 0.000 0.000 . 0 "[ ]"
1 133 TRP 0.000 0.000 . 0 "[ ]"
1 134 GLU 0.000 0.000 . 0 "[ ]"
1 135 TRP 0.012 0.012 1 0 "[ ]"
1 137 LEU 0.000 0.000 . 0 "[ ]"
1 138 THR 0.000 0.000 . 0 "[ ]"
1 139 ILE 0.027 0.027 1 0 "[ ]"
1 143 TRP 0.048 0.048 1 0 "[ ]"
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 LEU MD2 1 38 PHE QE 1.800 . 5.500 2.955 2.955 2.955 . 0 0 "[ ]" 4
2 1 35 LEU MD2 1 38 PHE HE1 1.800 . 5.500 2.628 2.628 2.628 . 0 0 "[ ]" 4
3 1 38 PHE HA 1 38 PHE QD 1.800 . 3.300 2.719 2.719 2.719 . 0 0 "[ ]" 4
4 1 18 LEU MD1 1 43 PHE QD 1.800 . 5.500 2.131 2.131 2.131 . 0 0 "[ ]" 4
5 1 29 LEU HG 1 43 PHE QE 1.800 . 5.000 2.277 2.277 2.277 . 0 0 "[ ]" 4
6 1 29 LEU MD1 1 43 PHE HZ 1.800 . 5.500 2.303 2.303 2.303 . 0 0 "[ ]" 4
7 1 29 LEU HG 1 43 PHE HZ 1.800 . 5.000 1.978 1.978 1.978 . 0 0 "[ ]" 4
8 1 43 PHE HA 1 43 PHE QD 1.800 . 3.300 2.616 2.616 2.616 . 0 0 "[ ]" 4
9 1 51 TYR HA 1 51 TYR QD 1.800 . 5.000 3.712 3.712 3.712 . 0 0 "[ ]" 4
10 1 51 TYR HA 1 51 TYR QE 1.800 . 6.000 5.623 5.623 5.623 . 0 0 "[ ]" 4
11 1 51 TYR QE 1 53 ILE MD 1.800 . 3.200 2.317 2.317 2.317 . 0 0 "[ ]" 4
12 1 51 TYR QD 1 53 ILE MD 1.800 . 5.500 3.728 3.728 3.728 . 0 0 "[ ]" 4
13 1 51 TYR QE 1 53 ILE QG 1.800 . 3.300 2.576 2.576 2.576 . 0 0 "[ ]" 4
14 1 13 VAL HA 1 57 PHE QD 1.800 . 6.000 4.139 4.139 4.139 . 0 0 "[ ]" 4
15 1 55 ILE MG 1 57 PHE HD1 1.800 . 5.500 2.300 2.300 2.300 . 0 0 "[ ]" 4
16 1 56 SER HA 1 57 PHE QD 1.800 . 6.000 2.849 2.849 2.849 . 0 0 "[ ]" 4
17 1 57 PHE HA 1 57 PHE QD 1.800 . 6.000 3.680 3.680 3.680 . 0 0 "[ ]" 4
18 1 57 PHE QD 1 59 VAL MG1 1.800 . 6.500 4.489 4.489 4.489 . 0 0 "[ ]" 4
19 1 57 PHE HE2 1 59 VAL MG2 1.800 . 5.500 2.412 2.412 2.412 . 0 0 "[ ]" 4
20 1 57 PHE HZ 1 59 VAL MG2 1.800 . 6.500 4.306 4.306 4.306 . 0 0 "[ ]" 4
21 1 69 TYR QE 1 71 GLN QG 1.800 . 5.000 4.574 4.574 4.574 . 0 0 "[ ]" 4
22 1 72 HIS QB 1 74 TYR HE1 1.800 . 3.300 2.307 2.307 2.307 . 0 0 "[ ]" 4
23 1 72 HIS H 1 74 TYR QE 1.800 . 6.000 5.177 5.177 5.177 . 0 0 "[ ]" 4
24 1 73 THR MG 1 74 TYR QD 1.800 . 5.500 5.491 5.491 5.491 . 0 0 "[ ]" 4
25 1 74 TYR QE 1 78 VAL HA 1.800 . 6.000 3.908 3.908 3.908 . 0 0 "[ ]" 4
26 1 74 TYR QE 1 79 LYS HA 1.800 . 6.000 4.023 4.023 4.023 . 0 0 "[ ]" 4
27 1 74 TYR QE 1 79 LYS H 1.800 . 6.000 3.300 3.300 3.300 . 0 0 "[ ]" 4
28 1 72 HIS HD2 1 82 LYS QB 1.800 . 3.300 3.403 3.403 3.403 0.103 1 0 "[ ]" 4
29 1 69 TYR QB 1 85 TYR QD 1.800 . 6.000 4.157 4.157 4.157 . 0 0 "[ ]" 4
30 1 69 TYR HD2 1 85 TYR QD 1.800 . 3.300 3.333 3.333 3.333 0.033 1 0 "[ ]" 4
31 1 71 GLN QB 1 85 TYR QE 1.800 . 5.000 4.962 4.962 4.962 . 0 0 "[ ]" 4
32 1 83 THR HB 1 85 TYR QD 1.800 . 6.000 3.373 3.373 3.373 . 0 0 "[ ]" 4
33 1 83 THR MG 1 85 TYR QD 1.800 . 6.500 2.592 2.592 2.592 . 0 0 "[ ]" 4
34 1 83 THR HB 1 85 TYR QE 1.800 . 3.300 2.652 2.652 2.652 . 0 0 "[ ]" 4
35 1 83 THR MG 1 85 TYR QE 1.800 . 3.800 2.464 2.464 2.464 . 0 0 "[ ]" 4
36 1 84 ASP HA 1 85 TYR QD 1.800 . 6.000 3.578 3.578 3.578 . 0 0 "[ ]" 4
37 1 85 TYR HA 1 85 TYR QD 1.800 . 5.000 2.653 2.653 2.653 . 0 0 "[ ]" 4
38 1 57 PHE HZ 1 87 VAL MG1 1.800 . 3.800 3.020 3.020 3.020 . 0 0 "[ ]" 4
39 1 59 VAL MG2 1 90 TYR QE 1.800 . 6.500 5.430 5.430 5.430 . 0 0 "[ ]" 4
40 1 64 VAL MG2 1 90 TYR QD 1.800 . 6.500 5.407 5.407 5.407 . 0 0 "[ ]" 4
41 1 67 MET QG 1 90 TYR HE2 1.800 . 5.000 4.302 4.302 4.302 . 0 0 "[ ]" 4
42 1 67 MET H 1 90 TYR QE 1.800 . 6.000 4.604 4.604 4.604 . 0 0 "[ ]" 4
43 1 87 VAL MG1 1 90 TYR QD 1.800 . 5.500 3.620 3.620 3.620 . 0 0 "[ ]" 4
44 1 87 VAL MG1 1 90 TYR QE 1.800 . 3.800 1.867 1.867 1.867 . 0 0 "[ ]" 4
45 1 88 GLY QA 1 90 TYR QE 1.800 . 3.300 3.309 3.309 3.309 0.009 1 0 "[ ]" 4
46 1 88 GLY H 1 90 TYR QE 1.800 . 5.000 2.898 2.898 2.898 . 0 0 "[ ]" 4
47 1 89 SER HA 1 90 TYR QD 1.800 . 6.000 3.683 3.683 3.683 . 0 0 "[ ]" 4
48 1 89 SER HA 1 90 TYR QE 1.800 . 5.000 4.624 4.624 4.624 . 0 0 "[ ]" 4
49 1 89 SER H 1 90 TYR QE 1.800 . 5.000 4.604 4.604 4.604 . 0 0 "[ ]" 4
50 1 90 TYR HA 1 90 TYR QD 1.800 . 5.000 2.451 2.451 2.451 . 0 0 "[ ]" 4
51 1 90 TYR H 1 90 TYR QE 1.800 . 6.000 5.103 5.103 5.103 . 0 0 "[ ]" 4
52 1 56 SER HA 1 97 TYR H 1.800 . 6.000 3.851 3.851 3.851 . 0 0 "[ ]" 4
53 1 58 ARG HA 1 97 TYR QE 1.800 . 6.000 5.183 5.183 5.183 . 0 0 "[ ]" 4
54 1 59 VAL HB 1 97 TYR QE 1.800 . 3.300 2.170 2.170 2.170 . 0 0 "[ ]" 4
55 1 59 VAL MG1 1 97 TYR HE1 1.800 . 5.500 3.375 3.375 3.375 . 0 0 "[ ]" 4
56 1 90 TYR QE 1 97 TYR HA 1.800 . 6.000 6.001 6.001 6.001 0.001 1 0 "[ ]" 4
57 1 90 TYR QD 1 97 TYR QB 1.800 . 6.000 3.721 3.721 3.721 . 0 0 "[ ]" 4
58 1 90 TYR QE 1 97 TYR QB 1.800 . 5.000 3.624 3.624 3.624 . 0 0 "[ ]" 4
59 1 90 TYR QD 1 97 TYR QD 1.800 . 5.000 3.156 3.156 3.156 . 0 0 "[ ]" 4
60 1 90 TYR HB3 1 97 TYR QE 1.800 . 5.000 3.511 3.511 3.511 . 0 0 "[ ]" 4
61 1 90 TYR QD 1 97 TYR QE 1.800 . 5.000 3.299 3.299 3.299 . 0 0 "[ ]" 4
62 1 90 TYR QE 1 97 TYR QE 1.800 . 6.000 4.611 4.611 4.611 . 0 0 "[ ]" 4
63 1 92 PRO HA 1 97 TYR QE 1.800 . 5.000 3.686 3.686 3.686 . 0 0 "[ ]" 4
64 1 57 PHE QD 1 98 GLU HA 1.800 . 6.000 4.840 4.840 4.840 . 0 0 "[ ]" 4
65 1 85 TYR QE 1 101 THR HA 1.800 . 5.000 3.881 3.881 3.881 . 0 0 "[ ]" 4
66 1 85 TYR QE 1 101 THR HB 1.800 . 5.000 1.998 1.998 1.998 . 0 0 "[ ]" 4
67 1 85 TYR QD 1 101 THR MG 1.800 . 5.500 1.951 1.951 1.951 . 0 0 "[ ]" 4
68 1 85 TYR HE2 1 101 THR MG 1.800 . 3.800 3.090 3.090 3.090 . 0 0 "[ ]" 4
69 1 85 TYR QE 1 102 PRO QG 1.800 . 5.000 3.522 3.522 3.522 . 0 0 "[ ]" 4
70 1 51 TYR QE 1 104 GLU QB 1.800 . 5.000 2.991 2.991 2.991 . 0 0 "[ ]" 4
71 1 51 TYR QE 1 104 GLU QG 1.800 . 6.000 4.497 4.497 4.497 . 0 0 "[ ]" 4
72 1 51 TYR QE 1 106 ALA HA 1.800 . 3.300 2.901 2.901 2.901 . 0 0 "[ ]" 4
73 1 51 TYR QE 1 107 PRO QD 1.800 . 6.000 4.160 4.160 4.160 . 0 0 "[ ]" 4
74 1 73 THR MG 1 116 TYR QD 1.800 . 3.200 2.403 2.403 2.403 . 0 0 "[ ]" 4
75 1 73 THR MG 1 116 TYR QE 1.800 . 5.500 3.780 3.780 3.780 . 0 0 "[ ]" 4
76 1 80 ILE MD 1 116 TYR QD 1.800 . 3.800 3.580 3.580 3.580 . 0 0 "[ ]" 4
77 1 80 ILE MD 1 116 TYR QE 1.800 . 3.200 3.231 3.231 3.231 0.031 1 0 "[ ]" 4
78 1 113 ARG HA 1 116 TYR QE 1.800 . 6.000 4.031 4.031 4.031 . 0 0 "[ ]" 4
79 1 114 GLY H 1 116 TYR QE 1.800 . 6.000 3.172 3.172 3.172 . 0 0 "[ ]" 4
80 1 115 SER HA 1 116 TYR QD 1.800 . 5.000 3.065 3.065 3.065 . 0 0 "[ ]" 4
81 1 116 TYR H 1 116 TYR QD 1.800 . 5.000 2.699 2.699 2.699 . 0 0 "[ ]" 4
82 1 116 TYR H 1 116 TYR QE 1.800 . 5.000 5.005 5.005 5.005 0.005 1 0 "[ ]" 4
83 1 72 HIS HD2 1 119 LYS HA 1.800 . 5.000 5.167 5.167 5.167 0.167 1 0 "[ ]" 4
84 1 74 TYR QE 1 119 LYS QB 1.800 . 3.300 3.064 3.064 3.064 . 0 0 "[ ]" 4
85 1 74 TYR QE 1 119 LYS QE 1.800 . 6.000 4.458 4.458 4.458 . 0 0 "[ ]" 4
86 1 69 TYR QE 1 120 SER HA 1.800 . 5.000 4.327 4.327 4.327 . 0 0 "[ ]" 4
87 1 11 VAL MG1 1 122 PHE HE1 1.800 . 5.500 5.760 5.760 5.760 0.260 1 0 "[ ]" 4
88 1 13 VAL MG2 1 122 PHE QE 1.800 . 3.800 2.877 2.877 2.877 . 0 0 "[ ]" 4
89 1 55 ILE MG 1 122 PHE QE 1.800 . 5.500 2.264 2.264 2.264 . 0 0 "[ ]" 4
90 1 57 PHE HZ 1 122 PHE HZ 1.800 . 5.000 5.032 5.032 5.032 0.032 1 0 "[ ]" 4
91 1 67 MET QG 1 122 PHE QE 1.800 . 6.000 3.788 3.788 3.788 . 0 0 "[ ]" 4
92 1 69 TYR HA 1 122 PHE QE 1.800 . 6.000 3.655 3.655 3.655 . 0 0 "[ ]" 4
93 1 87 VAL MG1 1 122 PHE HZ 1.800 . 3.800 3.803 3.803 3.803 0.003 1 0 "[ ]" 4
94 1 11 VAL MG1 1 130 HIS HD2 1.800 . 6.500 3.242 3.242 3.242 . 0 0 "[ ]" 4
95 1 123 THR HA 1 130 HIS HD2 1.800 . 3.300 3.299 3.299 3.299 . 0 0 "[ ]" 4
96 1 16 LEU MD1 1 133 TRP HH2 1.800 . 3.800 3.779 3.779 3.779 . 0 0 "[ ]" 4
97 1 16 LEU QB 1 133 TRP HZ2 1.800 . 5.000 4.157 4.157 4.157 . 0 0 "[ ]" 4
98 1 16 LEU MD2 1 133 TRP HZ2 1.800 . 5.500 4.779 4.779 4.779 . 0 0 "[ ]" 4
99 1 29 LEU MD1 1 133 TRP HD1 1.800 . 5.500 4.197 4.197 4.197 . 0 0 "[ ]" 4
100 1 31 LEU MD1 1 133 TRP HE1 1.800 . 4.000 3.981 3.981 3.981 . 0 0 "[ ]" 4
101 1 15 ARG H 1 31 LEU MD1 1.800 . 4.000 3.775 3.775 3.775 . 0 0 "[ ]" 4
102 1 31 LEU MD1 1 133 TRP HZ2 1.800 . 6.500 3.763 3.763 3.763 . 0 0 "[ ]" 4
103 1 35 LEU MD2 1 133 TRP HD1 1.800 . 6.500 3.722 3.722 3.722 . 0 0 "[ ]" 4
104 1 55 ILE MG 1 133 TRP HH2 1.800 . 5.500 3.972 3.972 3.972 . 0 0 "[ ]" 4
105 1 122 PHE QB 1 133 TRP HE3 1.800 . 5.000 3.942 3.942 3.942 . 0 0 "[ ]" 4
106 1 122 PHE QB 1 133 TRP HZ3 1.800 . 5.000 1.975 1.975 1.975 . 0 0 "[ ]" 4
107 1 131 LEU QB 1 133 TRP HE3 1.800 . 5.000 3.986 3.986 3.986 . 0 0 "[ ]" 4
108 1 131 LEU MD2 1 133 TRP HE3 1.800 . 5.500 3.552 3.552 3.552 . 0 0 "[ ]" 4
109 1 131 LEU HG 1 133 TRP HE3 1.800 . 5.000 3.485 3.485 3.485 . 0 0 "[ ]" 4
110 1 131 LEU QB 1 133 TRP HZ3 1.800 . 5.000 3.773 3.773 3.773 . 0 0 "[ ]" 4
111 1 131 LEU MD2 1 133 TRP HZ3 1.800 . 6.500 4.182 4.182 4.182 . 0 0 "[ ]" 4
112 1 132 SER HA 1 133 TRP HE3 1.800 . 3.300 2.244 2.244 2.244 . 0 0 "[ ]" 4
113 1 133 TRP HA 1 133 TRP HD1 1.800 . 5.000 4.507 4.507 4.507 . 0 0 "[ ]" 4
114 1 133 TRP HA 1 133 TRP HE3 1.800 . 6.000 4.112 4.112 4.112 . 0 0 "[ ]" 4
115 1 16 LEU MD1 1 135 TRP HH2 1.800 . 5.500 4.578 4.578 4.578 . 0 0 "[ ]" 4
116 1 18 LEU MD1 1 135 TRP HE3 1.800 . 5.500 4.403 4.403 4.403 . 0 0 "[ ]" 4
117 1 18 LEU MD2 1 135 TRP HZ2 1.800 . 5.500 4.863 4.863 4.863 . 0 0 "[ ]" 4
118 1 18 LEU MD1 1 135 TRP HZ3 1.800 . 6.500 3.169 3.169 3.169 . 0 0 "[ ]" 4
119 1 53 ILE MD 1 135 TRP HH2 1.800 . 3.800 3.812 3.812 3.812 0.012 1 0 "[ ]" 4
120 1 53 ILE MD 1 135 TRP HZ2 1.800 . 3.800 3.786 3.786 3.786 . 0 0 "[ ]" 4
121 1 118 ILE MG 1 135 TRP HD1 1.800 . 6.500 4.623 4.623 4.623 . 0 0 "[ ]" 4
122 1 133 TRP HD1 1 135 TRP QB 1.800 . 3.300 3.048 3.048 3.048 . 0 0 "[ ]" 4
123 1 133 TRP HD1 1 135 TRP HD1 1.800 . 3.300 2.170 2.170 2.170 . 0 0 "[ ]" 4
124 1 134 GLU HA 1 135 TRP HD1 1.800 . 5.000 2.901 2.901 2.901 . 0 0 "[ ]" 4
125 1 135 TRP H 1 135 TRP HD1 1.800 . 3.500 2.269 2.269 2.269 . 0 0 "[ ]" 4
126 1 43 PHE QD 1 137 LEU MD2 1.800 . 5.500 5.130 5.130 5.130 . 0 0 "[ ]" 4
127 1 116 TYR QD 1 137 LEU MD2 1.800 . 5.500 4.521 4.521 4.521 . 0 0 "[ ]" 4
128 1 135 TRP HE3 1 137 LEU QB 1.800 . 6.000 3.919 3.919 3.919 . 0 0 "[ ]" 4
129 1 135 TRP HE3 1 137 LEU MD2 1.800 . 5.500 5.189 5.189 5.189 . 0 0 "[ ]" 4
130 1 135 TRP HH2 1 137 LEU MD2 1.800 . 3.800 3.646 3.646 3.646 . 0 0 "[ ]" 4
131 1 135 TRP HZ3 1 137 LEU MD2 1.800 . 6.500 3.543 3.543 3.543 . 0 0 "[ ]" 4
132 1 116 TYR QE 1 138 THR HA 1.800 . 6.000 5.037 5.037 5.037 . 0 0 "[ ]" 4
133 1 51 TYR QE 1 139 ILE MD 1.800 . 5.500 4.444 4.444 4.444 . 0 0 "[ ]" 4
134 1 116 TYR QE 1 139 ILE HB 1.800 . 3.300 3.327 3.327 3.327 0.027 1 0 "[ ]" 4
135 1 116 TYR QE 1 139 ILE HG13 1.800 . 5.000 3.476 3.476 3.476 . 0 0 "[ ]" 4
136 1 116 TYR QE 1 139 ILE HG12 1.800 . 5.000 3.484 3.484 3.484 . 0 0 "[ ]" 4
137 1 116 TYR QE 1 139 ILE MG 1.800 . 5.500 4.371 4.371 4.371 . 0 0 "[ ]" 4
138 1 116 TYR QE 1 139 ILE H 1.800 . 6.000 3.787 3.787 3.787 . 0 0 "[ ]" 4
139 1 23 ALA MB 1 143 TRP HH2 1.800 . 3.800 1.885 1.885 1.885 . 0 0 "[ ]" 4
140 1 23 ALA MB 1 143 TRP HZ3 1.800 . 5.000 3.230 3.230 3.230 . 0 0 "[ ]" 4
141 1 24 PRO QD 1 143 TRP HH2 1.800 . 5.000 2.973 2.973 2.973 . 0 0 "[ ]" 4
142 1 24 PRO QD 1 143 TRP HZ2 1.800 . 5.000 3.810 3.810 3.810 . 0 0 "[ ]" 4
143 1 45 LEU MD2 1 143 TRP HH2 1.800 . 3.800 2.421 2.421 2.421 . 0 0 "[ ]" 4
144 1 45 LEU HA 1 143 TRP HZ3 1.800 . 5.000 3.557 3.557 3.557 . 0 0 "[ ]" 4
145 1 45 LEU HA 1 143 TRP HH2 1.800 . 5.000 4.482 4.482 4.482 . 0 0 "[ ]" 4
146 1 45 LEU MD2 1 143 TRP HZ3 1.800 . 3.800 2.387 2.387 2.387 . 0 0 "[ ]" 4
147 1 49 VAL MG2 1 143 TRP HH2 1.800 . 3.800 3.848 3.848 3.848 0.048 1 0 "[ ]" 4
148 1 49 VAL MG2 1 143 TRP HZ2 1.800 . 3.800 3.610 3.610 3.610 . 0 0 "[ ]" 4
149 1 143 TRP HA 1 143 TRP HD1 1.800 . 5.000 3.940 3.940 3.940 . 0 0 "[ ]" 4
150 1 143 TRP HA 1 143 TRP HE3 1.800 . 5.000 4.927 4.927 4.927 . 0 0 "[ ]" 4
151 1 69 TYR HA 1 69 TYR QD 1.800 . 5.000 2.212 2.212 2.212 . 0 0 "[ ]" 4
152 1 74 TYR QD 1 77 GLY QA 1.800 . 6.000 2.625 2.625 2.625 . 0 0 "[ ]" 4
153 1 99 PHE HA 1 99 PHE QD 1.800 . 5.000 2.353 2.353 2.353 . 0 0 "[ ]" 4
154 1 75 ARG HD3 1 116 TYR QD 1.800 . 6.000 4.322 4.322 4.322 . 0 0 "[ ]" 4
155 1 75 ARG HD2 1 116 TYR QD 1.800 . 6.000 3.895 3.895 3.895 . 0 0 "[ ]" 4
156 1 75 ARG QB 1 116 TYR QE 1.800 . 5.000 4.043 4.043 4.043 . 0 0 "[ ]" 4
157 1 75 ARG HD3 1 116 TYR QE 1.800 . 5.000 3.123 3.123 3.123 . 0 0 "[ ]" 4
158 1 75 ARG HD2 1 116 TYR QE 1.800 . 5.000 2.239 2.239 2.239 . 0 0 "[ ]" 4
159 1 116 TYR HA 1 116 TYR QD 1.800 . 5.000 3.036 3.036 3.036 . 0 0 "[ ]" 4
160 1 116 TYR QD 1 139 ILE HG12 1.800 . 6.000 2.917 2.917 2.917 . 0 0 "[ ]" 4
161 1 116 TYR QD 1 139 ILE HG13 1.800 . 6.000 3.860 3.860 3.860 . 0 0 "[ ]" 4
162 1 85 TYR HB3 1 99 PHE HE1 1.800 . 5.000 5.031 5.031 5.031 0.031 1 0 "[ ]" 4
163 1 85 TYR HB3 1 99 PHE HZ 1.800 . 5.000 2.786 2.786 2.786 . 0 0 "[ ]" 4
164 1 69 TYR QD 1 85 TYR HB2 1.800 . 5.000 2.321 2.321 2.321 . 0 0 "[ ]" 4
165 1 57 PHE QE 1 99 PHE HB3 1.800 . 5.000 3.304 3.304 3.304 . 0 0 "[ ]" 4
166 1 57 PHE QE 1 99 PHE HB2 1.800 . 5.000 2.398 2.398 2.398 . 0 0 "[ ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 82
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 0.193
_Distance_constraint_stats_list.Viol_max 0.091
_Distance_constraint_stats_list.Viol_rms 0.0113
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0321
_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 10 ASN 0.040 0.026 1 0 "[ ]"
1 11 VAL 0.000 0.000 . 0 "[ ]"
1 14 THR 0.000 0.000 . 0 "[ ]"
1 16 LEU 0.000 0.000 . 0 "[ ]"
1 19 VAL 0.000 0.000 . 0 "[ ]"
1 28 GLU 0.005 0.005 1 0 "[ ]"
1 29 LEU 0.000 0.000 . 0 "[ ]"
1 30 ASP 0.026 0.026 1 0 "[ ]"
1 31 LEU 0.000 0.000 . 0 "[ ]"
1 35 LEU 0.000 0.000 . 0 "[ ]"
1 36 GLU 0.000 0.000 . 0 "[ ]"
1 43 PHE 0.031 0.026 1 0 "[ ]"
1 44 VAL 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.000 0.000 . 0 "[ ]"
1 47 GLU 0.000 0.000 . 0 "[ ]"
1 51 TYR 0.000 0.000 . 0 "[ ]"
1 52 ARG 0.000 0.000 . 0 "[ ]"
1 54 LYS 0.000 0.000 . 0 "[ ]"
1 55 ILE 0.000 0.000 . 0 "[ ]"
1 56 SER 0.000 0.000 . 0 "[ ]"
1 57 PHE 0.000 0.000 . 0 "[ ]"
1 58 ARG 0.000 0.000 . 0 "[ ]"
1 59 VAL 0.026 0.026 1 0 "[ ]"
1 60 ASN 0.000 0.000 . 0 "[ ]"
1 61 ARG 0.014 0.014 1 0 "[ ]"
1 62 GLU 0.000 0.000 . 0 "[ ]"
1 64 VAL 0.000 0.000 . 0 "[ ]"
1 66 GLY 0.000 0.000 . 0 "[ ]"
1 68 LYS 0.000 0.000 . 0 "[ ]"
1 69 TYR 0.000 0.000 . 0 "[ ]"
1 70 ILE 0.000 0.000 . 0 "[ ]"
1 71 GLN 0.000 0.000 . 0 "[ ]"
1 72 HIS 0.000 0.000 . 0 "[ ]"
1 73 THR 0.000 0.000 . 0 "[ ]"
1 74 TYR 0.000 0.000 . 0 "[ ]"
1 77 GLY 0.000 0.000 . 0 "[ ]"
1 80 ILE 0.000 0.000 . 0 "[ ]"
1 81 ASP 0.000 0.000 . 0 "[ ]"
1 82 LYS 0.000 0.000 . 0 "[ ]"
1 85 TYR 0.000 0.000 . 0 "[ ]"
1 86 MET 0.000 0.000 . 0 "[ ]"
1 87 VAL 0.000 0.000 . 0 "[ ]"
1 88 GLY 0.000 0.000 . 0 "[ ]"
1 90 TYR 0.000 0.000 . 0 "[ ]"
1 97 TYR 0.000 0.000 . 0 "[ ]"
1 98 GLU 0.000 0.000 . 0 "[ ]"
1 99 PHE 0.000 0.000 . 0 "[ ]"
1 104 GLU 0.000 0.000 . 0 "[ ]"
1 116 TYR 0.000 0.000 . 0 "[ ]"
1 117 ASN 0.000 0.000 . 0 "[ ]"
1 118 ILE 0.000 0.000 . 0 "[ ]"
1 120 SER 0.000 0.000 . 0 "[ ]"
1 122 PHE 0.000 0.000 . 0 "[ ]"
1 123 THR 0.000 0.000 . 0 "[ ]"
1 124 ASP 0.030 0.030 1 0 "[ ]"
1 126 ASP 0.091 0.091 1 0 "[ ]"
1 127 ARG 0.121 0.091 1 0 "[ ]"
1 128 THR 0.000 0.000 . 0 "[ ]"
1 130 HIS 0.000 0.000 . 0 "[ ]"
1 131 LEU 0.000 0.000 . 0 "[ ]"
1 133 TRP 0.000 0.000 . 0 "[ ]"
1 134 GLU 0.000 0.000 . 0 "[ ]"
1 135 TRP 0.000 0.000 . 0 "[ ]"
1 136 ASN 0.000 0.000 . 0 "[ ]"
1 137 LEU 0.000 0.000 . 0 "[ ]"
1 138 THR 0.000 0.000 . 0 "[ ]"
1 139 ILE 0.000 0.000 . 0 "[ ]"
1 140 LYS 0.000 0.000 . 0 "[ ]"
1 142 GLU 0.000 0.000 . 0 "[ ]"
1 143 TRP 0.000 0.000 . 0 "[ ]"
1 144 LYS 0.000 0.000 . 0 "[ ]"
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 10 ASN HD21 1 11 VAL MG2 1.800 . 3.800 3.761 3.761 3.761 . 0 0 "[ ]" 5
2 1 10 ASN HD22 1 11 VAL MG2 1.800 . 5.500 3.184 3.184 3.184 . 0 0 "[ ]" 5
3 1 10 ASN HD21 1 11 VAL H 1.800 . 5.000 4.515 4.515 4.515 . 0 0 "[ ]" 5
4 1 16 LEU H 1 30 ASP H 1.800 . 6.000 5.273 5.273 5.273 . 0 0 "[ ]" 5
5 1 30 ASP H 1 31 LEU H 1.800 . 5.000 4.559 4.559 4.559 . 0 0 "[ ]" 5
6 1 35 LEU H 1 36 GLU H 1.800 . 2.900 2.254 2.254 2.254 . 0 0 "[ ]" 5
7 1 28 GLU H 1 43 PHE QE 1.800 . 5.000 5.005 5.005 5.005 0.005 1 0 "[ ]" 5
8 1 28 GLU H 1 43 PHE HZ 1.800 . 5.000 4.482 4.482 4.482 . 0 0 "[ ]" 5
9 1 29 LEU H 1 43 PHE HZ 1.800 . 5.000 3.940 3.940 3.940 . 0 0 "[ ]" 5
10 1 30 ASP H 1 43 PHE HZ 1.800 . 6.000 6.026 6.026 6.026 0.026 1 0 "[ ]" 5
11 1 19 VAL H 1 51 TYR QD 1.800 . 6.000 4.966 4.966 4.966 . 0 0 "[ ]" 5
12 1 51 TYR QD 1 52 ARG H 1.800 . 5.000 3.544 3.544 3.544 . 0 0 "[ ]" 5
13 1 19 VAL H 1 54 LYS H 1.800 . 5.000 4.380 4.380 4.380 . 0 0 "[ ]" 5
14 1 16 LEU H 1 56 SER H 1.800 . 6.000 5.149 5.149 5.149 . 0 0 "[ ]" 5
15 1 14 THR H 1 57 PHE QD 1.800 . 6.000 4.483 4.483 4.483 . 0 0 "[ ]" 5
16 1 14 THR H 1 57 PHE H 1.800 . 5.000 4.096 4.096 4.096 . 0 0 "[ ]" 5
17 1 56 SER H 1 57 PHE QD 1.800 . 6.000 3.853 3.853 3.853 . 0 0 "[ ]" 5
18 1 57 PHE H 1 57 PHE QE 1.800 . 5.000 4.011 4.011 4.011 . 0 0 "[ ]" 5
19 1 14 THR H 1 58 ARG H 1.800 . 5.000 3.641 3.641 3.641 . 0 0 "[ ]" 5
20 1 10 ASN HD21 1 59 VAL MG1 1.800 . 5.500 5.526 5.526 5.526 0.026 1 0 "[ ]" 5
21 1 10 ASN HD22 1 59 VAL MG1 1.800 . 5.500 4.374 4.374 4.374 . 0 0 "[ ]" 5
22 1 60 ASN H 1 60 ASN QD 1.800 . 5.000 4.524 4.524 4.524 . 0 0 "[ ]" 5
23 1 10 ASN HD22 1 61 ARG H 1.800 . 5.000 5.014 5.014 5.014 0.014 1 0 "[ ]" 5
24 1 60 ASN QD 1 61 ARG H 1.800 . 6.000 5.873 5.873 5.873 . 0 0 "[ ]" 5
25 1 10 ASN HD21 1 62 GLU QG 1.800 . 6.000 4.526 4.526 4.526 . 0 0 "[ ]" 5
26 1 10 ASN HD22 1 62 GLU QG 1.800 . 6.000 4.337 4.337 4.337 . 0 0 "[ ]" 5
27 1 10 ASN HD21 1 62 GLU H 1.800 . 5.000 3.586 3.586 3.586 . 0 0 "[ ]" 5
28 1 10 ASN HD22 1 62 GLU H 1.800 . 3.500 2.713 2.713 2.713 . 0 0 "[ ]" 5
29 1 61 ARG H 1 62 GLU H 1.800 . 2.900 2.524 2.524 2.524 . 0 0 "[ ]" 5
30 1 10 ASN HD21 1 64 VAL MG2 1.800 . 3.200 2.979 2.979 2.979 . 0 0 "[ ]" 5
31 1 10 ASN HD22 1 64 VAL MG2 1.800 . 3.200 2.172 2.172 2.172 . 0 0 "[ ]" 5
32 1 69 TYR QE 1 70 ILE H 1.800 . 6.000 4.897 4.897 4.897 . 0 0 "[ ]" 5
33 1 71 GLN H 1 72 HIS HD2 1.800 . 5.000 3.303 3.303 3.303 . 0 0 "[ ]" 5
34 1 72 HIS H 1 74 TYR QD 1.800 . 6.000 4.460 4.460 4.460 . 0 0 "[ ]" 5
35 1 73 THR H 1 74 TYR QD 1.800 . 6.000 4.522 4.522 4.522 . 0 0 "[ ]" 5
36 1 74 TYR QD 1 77 GLY H 1.800 . 6.000 3.676 3.676 3.676 . 0 0 "[ ]" 5
37 1 73 THR H 1 80 ILE H 1.800 . 5.000 4.221 4.221 4.221 . 0 0 "[ ]" 5
38 1 74 TYR H 1 81 ASP H 1.800 . 6.000 5.522 5.522 5.522 . 0 0 "[ ]" 5
39 1 80 ILE H 1 81 ASP H 1.800 . 2.900 1.993 1.993 1.993 . 0 0 "[ ]" 5
40 1 73 THR H 1 82 LYS H 1.800 . 6.000 4.589 4.589 4.589 . 0 0 "[ ]" 5
41 1 69 TYR QD 1 85 TYR H 1.800 . 5.000 4.129 4.129 4.129 . 0 0 "[ ]" 5
42 1 71 GLN H 1 85 TYR QD 1.800 . 6.000 5.295 5.295 5.295 . 0 0 "[ ]" 5
43 1 85 TYR QD 1 86 MET H 1.800 . 5.000 4.551 4.551 4.551 . 0 0 "[ ]" 5
44 1 69 TYR H 1 87 VAL H 1.800 . 5.000 3.591 3.591 3.591 . 0 0 "[ ]" 5
45 1 66 GLY H 1 88 GLY H 1.800 . 6.000 4.752 4.752 4.752 . 0 0 "[ ]" 5
46 1 64 VAL H 1 90 TYR H 1.800 . 3.500 3.388 3.388 3.388 . 0 0 "[ ]" 5
47 1 58 ARG H 1 97 TYR H 1.800 . 6.000 5.093 5.093 5.093 . 0 0 "[ ]" 5
48 1 97 TYR H 1 97 TYR QD 1.800 . 5.000 2.606 2.606 2.606 . 0 0 "[ ]" 5
49 1 57 PHE H 1 98 GLU H 1.800 . 6.000 5.571 5.571 5.571 . 0 0 "[ ]" 5
50 1 97 TYR QD 1 98 GLU H 1.800 . 5.000 3.704 3.704 3.704 . 0 0 "[ ]" 5
51 1 55 ILE H 1 99 PHE QD 1.800 . 5.000 2.718 2.718 2.718 . 0 0 "[ ]" 5
52 1 57 PHE QD 1 99 PHE H 1.800 . 5.000 4.000 4.000 4.000 . 0 0 "[ ]" 5
53 1 57 PHE QE 1 99 PHE H 1.800 . 5.000 2.953 2.953 2.953 . 0 0 "[ ]" 5
54 1 86 MET H 1 99 PHE HZ 1.800 . 6.000 5.167 5.167 5.167 . 0 0 "[ ]" 5
55 1 99 PHE H 1 99 PHE QD 1.800 . 5.000 4.124 4.124 4.124 . 0 0 "[ ]" 5
56 1 51 TYR QD 1 104 GLU H 1.800 . 6.000 3.899 3.899 3.899 . 0 0 "[ ]" 5
57 1 52 ARG H 1 104 GLU H 1.800 . 6.000 4.522 4.522 4.522 . 0 0 "[ ]" 5
58 1 117 ASN HD21 1 118 ILE H 1.800 . 5.000 3.295 3.295 3.295 . 0 0 "[ ]" 5
59 1 117 ASN HD22 1 118 ILE H 1.800 . 5.000 3.975 3.975 3.975 . 0 0 "[ ]" 5
60 1 70 ILE H 1 123 THR H 1.800 . 5.000 4.061 4.061 4.061 . 0 0 "[ ]" 5
61 1 68 LYS H 1 124 ASP H 1.800 . 6.000 4.609 4.609 4.609 . 0 0 "[ ]" 5
62 1 124 ASP H 1 127 ARG H 1.800 . 5.000 5.030 5.030 5.030 0.030 1 0 "[ ]" 5
63 1 126 ASP H 1 127 ARG H 1.800 . 2.900 1.709 1.709 1.709 0.091 1 0 "[ ]" 5
64 1 124 ASP H 1 128 THR H 1.800 . 5.000 3.678 3.678 3.678 . 0 0 "[ ]" 5
65 1 122 PHE H 1 130 HIS H 1.800 . 6.000 5.138 5.138 5.138 . 0 0 "[ ]" 5
66 1 123 THR H 1 130 HIS HD2 1.800 . 5.000 4.275 4.275 4.275 . 0 0 "[ ]" 5
67 1 122 PHE H 1 131 LEU H 1.800 . 5.000 3.335 3.335 3.335 . 0 0 "[ ]" 5
68 1 122 PHE H 1 133 TRP HH2 1.800 . 5.000 4.681 4.681 4.681 . 0 0 "[ ]" 5
69 1 120 SER H 1 134 GLU H 1.800 . 6.000 5.223 5.223 5.223 . 0 0 "[ ]" 5
70 1 118 ILE H 1 135 TRP HD1 1.800 . 6.000 4.905 4.905 4.905 . 0 0 "[ ]" 5
71 1 120 SER H 1 135 TRP H 1.800 . 5.000 4.722 4.722 4.722 . 0 0 "[ ]" 5
72 1 118 ILE H 1 137 LEU H 1.800 . 5.000 4.628 4.628 4.628 . 0 0 "[ ]" 5
73 1 136 ASN QD 1 137 LEU H 1.800 . 5.000 4.124 4.124 4.124 . 0 0 "[ ]" 5
74 1 44 VAL H 1 138 THR H 1.800 . 6.000 4.416 4.416 4.416 . 0 0 "[ ]" 5
75 1 116 TYR QD 1 138 THR H 1.800 . 6.000 5.445 5.445 5.445 . 0 0 "[ ]" 5
76 1 45 LEU H 1 139 ILE H 1.800 . 6.000 4.684 4.684 4.684 . 0 0 "[ ]" 5
77 1 47 GLU H 1 142 GLU H 1.800 . 6.000 5.445 5.445 5.445 . 0 0 "[ ]" 5
78 1 140 LYS H 1 142 GLU H 1.800 . 6.000 5.647 5.647 5.647 . 0 0 "[ ]" 5
79 1 45 LEU H 1 143 TRP HZ3 1.800 . 6.000 5.868 5.868 5.868 . 0 0 "[ ]" 5
80 1 142 GLU H 1 143 TRP H 1.800 . 5.000 2.833 2.833 2.833 . 0 0 "[ ]" 5
81 1 142 GLU H 1 144 LYS H 1.800 . 5.000 4.947 4.947 4.947 . 0 0 "[ ]" 5
82 1 143 TRP H 1 144 LYS H 1.800 . 3.500 2.787 2.787 2.787 . 0 0 "[ ]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 123
_Distance_constraint_stats_list.Viol_count 16
_Distance_constraint_stats_list.Viol_total 0.330
_Distance_constraint_stats_list.Viol_max 0.088
_Distance_constraint_stats_list.Viol_rms 0.0111
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0206
_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 11 VAL 0.000 0.000 . 0 "[ ]"
1 13 VAL 0.000 0.000 . 0 "[ ]"
1 14 THR 0.060 0.058 1 0 "[ ]"
1 16 LEU 0.000 0.000 . 0 "[ ]"
1 18 LEU 0.011 0.010 1 0 "[ ]"
1 21 SER 0.000 0.000 . 0 "[ ]"
1 22 THR 0.014 0.014 1 0 "[ ]"
1 23 ALA 0.000 0.000 . 0 "[ ]"
1 27 LEU 0.000 0.000 . 0 "[ ]"
1 31 LEU 0.000 0.000 . 0 "[ ]"
1 32 THR 0.001 0.001 1 0 "[ ]"
1 35 LEU 0.000 0.000 . 0 "[ ]"
1 43 PHE 0.001 0.001 1 0 "[ ]"
1 45 LEU 0.017 0.017 1 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 49 VAL 0.004 0.004 1 0 "[ ]"
1 51 TYR 0.000 0.000 . 0 "[ ]"
1 52 ARG 0.015 0.009 1 0 "[ ]"
1 53 ILE 0.000 0.000 . 0 "[ ]"
1 54 LYS 0.000 0.000 . 0 "[ ]"
1 57 PHE 0.000 0.000 . 0 "[ ]"
1 58 ARG 0.058 0.058 1 0 "[ ]"
1 59 VAL 0.000 0.000 . 0 "[ ]"
1 60 ASN 0.000 0.000 . 0 "[ ]"
1 63 ILE 0.000 0.000 . 0 "[ ]"
1 64 VAL 0.000 0.000 . 0 "[ ]"
1 67 MET 0.000 0.000 . 0 "[ ]"
1 69 TYR 0.021 0.021 1 0 "[ ]"
1 70 ILE 0.000 0.000 . 0 "[ ]"
1 73 THR 0.000 0.000 . 0 "[ ]"
1 79 LYS 0.035 0.035 1 0 "[ ]"
1 81 ASP 0.000 0.000 . 0 "[ ]"
1 82 LYS 0.000 0.000 . 0 "[ ]"
1 83 THR 0.000 0.000 . 0 "[ ]"
1 84 ASP 0.000 0.000 . 0 "[ ]"
1 85 TYR 0.000 0.000 . 0 "[ ]"
1 87 VAL 0.000 0.000 . 0 "[ ]"
1 88 GLY 0.000 0.000 . 0 "[ ]"
1 92 PRO 0.000 0.000 . 0 "[ ]"
1 99 PHE 0.000 0.000 . 0 "[ ]"
1 100 LEU 0.015 0.009 1 0 "[ ]"
1 101 THR 0.000 0.000 . 0 "[ ]"
1 102 PRO 0.000 0.000 . 0 "[ ]"
1 110 MET 0.000 0.000 . 0 "[ ]"
1 111 LEU 0.000 0.000 . 0 "[ ]"
1 113 ARG 0.007 0.007 1 0 "[ ]"
1 114 GLY 0.000 0.000 . 0 "[ ]"
1 115 SER 0.000 0.000 . 0 "[ ]"
1 116 TYR 0.000 0.000 . 0 "[ ]"
1 118 ILE 0.088 0.088 1 0 "[ ]"
1 120 SER 0.021 0.021 1 0 "[ ]"
1 124 ASP 0.000 0.000 . 0 "[ ]"
1 128 THR 0.051 0.047 1 0 "[ ]"
1 130 HIS 0.047 0.047 1 0 "[ ]"
1 131 LEU 0.000 0.000 . 0 "[ ]"
1 135 TRP 0.010 0.010 1 0 "[ ]"
1 136 ASN 0.000 0.000 . 0 "[ ]"
1 137 LEU 0.024 0.017 1 0 "[ ]"
1 138 THR 0.000 0.000 . 0 "[ ]"
1 140 LYS 0.007 0.007 1 0 "[ ]"
1 143 TRP 0.018 0.014 1 0 "[ ]"
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 14 THR HA 1 14 THR MG 1.800 . 3.200 2.381 2.381 2.381 . 0 0 "[ ]" 6
2 1 18 LEU HA 1 18 LEU MD2 1.800 . 3.200 2.579 2.579 2.579 . 0 0 "[ ]" 6
3 1 21 SER QB 1 22 THR MG 1.800 . 3.800 3.208 3.208 3.208 . 0 0 "[ ]" 6
4 1 22 THR HA 1 22 THR MG 1.800 . 3.200 2.268 2.268 2.268 . 0 0 "[ ]" 6
5 1 14 THR HA 1 32 THR MG 1.800 . 3.200 2.577 2.577 2.577 . 0 0 "[ ]" 6
6 1 14 THR HB 1 32 THR MG 1.800 . 3.800 3.801 3.801 3.801 0.001 1 0 "[ ]" 6
7 1 14 THR MG 1 32 THR MG 1.800 . 4.300 3.666 3.666 3.666 . 0 0 "[ ]" 6
8 1 32 THR HA 1 32 THR MG 1.800 . 3.200 2.164 2.164 2.164 . 0 0 "[ ]" 6
9 1 31 LEU HA 1 35 LEU MD1 1.800 . 6.500 2.891 2.891 2.891 . 0 0 "[ ]" 6
10 1 31 LEU MD2 1 35 LEU MD1 1.800 . 6.000 2.935 2.935 2.935 . 0 0 "[ ]" 6
11 1 31 LEU HA 1 35 LEU MD2 1.800 . 3.200 2.288 2.288 2.288 . 0 0 "[ ]" 6
12 1 31 LEU MD2 1 35 LEU MD2 1.800 . 3.700 2.382 2.382 2.382 . 0 0 "[ ]" 6
13 1 35 LEU HA 1 35 LEU MD1 1.800 . 3.800 3.722 3.722 3.722 . 0 0 "[ ]" 6
14 1 35 LEU HA 1 35 LEU MD2 1.800 . 3.200 2.049 2.049 2.049 . 0 0 "[ ]" 6
15 1 18 LEU MD2 1 43 PHE QB 1.800 . 5.500 4.838 4.838 4.838 . 0 0 "[ ]" 6
16 1 27 LEU MD2 1 43 PHE HA 1.800 . 3.800 3.734 3.734 3.734 . 0 0 "[ ]" 6
17 1 27 LEU MD2 1 43 PHE QB 1.800 . 5.500 4.552 4.552 4.552 . 0 0 "[ ]" 6
18 1 45 LEU MD2 1 46 LYS H 1.800 . 4.000 2.477 2.477 2.477 . 0 0 "[ ]" 6
19 1 18 LEU MD1 1 53 ILE HA 1.800 . 6.500 4.543 4.543 4.543 . 0 0 "[ ]" 6
20 1 18 LEU MD2 1 53 ILE HA 1.800 . 3.800 2.981 2.981 2.981 . 0 0 "[ ]" 6
21 1 18 LEU MD1 1 53 ILE QG 1.800 . 5.500 3.739 3.739 3.739 . 0 0 "[ ]" 6
22 1 18 LEU MD2 1 51 TYR HE1 1.800 . 3.800 2.812 2.812 2.812 . 0 0 "[ ]" 6
23 1 18 LEU MD2 1 51 TYR HD1 1.800 . 3.800 2.107 2.107 2.107 . 0 0 "[ ]" 6
24 1 18 LEU MD2 1 135 TRP HH2 1.800 . 3.200 3.210 3.210 3.210 0.010 1 0 "[ ]" 6
25 1 18 LEU MD1 1 43 PHE QB 1.800 . 3.800 3.801 3.801 3.801 0.001 1 0 "[ ]" 6
26 1 16 LEU MD2 1 43 PHE HZ 1.800 . 5.500 3.441 3.441 3.441 . 0 0 "[ ]" 6
27 1 18 LEU MD2 1 53 ILE QG 1.800 . 3.800 2.029 2.029 2.029 . 0 0 "[ ]" 6
28 1 14 THR MG 1 57 PHE HA 1.800 . 3.800 1.934 1.934 1.934 . 0 0 "[ ]" 6
29 1 14 THR MG 1 58 ARG QD 1.800 . 3.800 3.858 3.858 3.858 0.058 1 0 "[ ]" 6
30 1 11 VAL HA 1 59 VAL MG1 1.800 . 6.500 4.316 4.316 4.316 . 0 0 "[ ]" 6
31 1 59 VAL MG1 1 60 ASN HA 1.800 . 5.500 3.953 3.953 3.953 . 0 0 "[ ]" 6
32 1 11 VAL MG2 1 64 VAL MG1 1.800 . 6.000 3.106 3.106 3.106 . 0 0 "[ ]" 6
33 1 63 ILE HA 1 64 VAL MG1 1.800 . 5.500 5.495 5.495 5.495 . 0 0 "[ ]" 6
34 1 64 VAL HA 1 64 VAL MG1 1.800 . 3.200 2.372 2.372 2.372 . 0 0 "[ ]" 6
35 1 64 VAL MG1 1 67 MET QG 1.800 . 3.800 2.991 2.991 2.991 . 0 0 "[ ]" 6
36 1 73 THR HA 1 73 THR MG 1.800 . 3.200 2.241 2.241 2.241 . 0 0 "[ ]" 6
37 1 79 LYS HA 1 79 LYS QG 1.800 . 3.300 3.335 3.335 3.335 0.035 1 0 "[ ]" 6
38 1 73 THR MG 1 81 ASP QB 1.800 . 5.500 3.659 3.659 3.659 . 0 0 "[ ]" 6
39 1 82 LYS HA 1 82 LYS QG 1.800 . 5.000 3.314 3.314 3.314 . 0 0 "[ ]" 6
40 1 83 THR HA 1 83 THR MG 1.800 . 3.200 2.283 2.283 2.283 . 0 0 "[ ]" 6
41 1 70 ILE QG 1 84 ASP HA 1.800 . 5.000 2.095 2.095 2.095 . 0 0 "[ ]" 6
42 1 83 THR MG 1 84 ASP HA 1.800 . 5.500 3.856 3.856 3.856 . 0 0 "[ ]" 6
43 1 59 VAL MG1 1 92 PRO HA 1.800 . 3.200 2.059 2.059 2.059 . 0 0 "[ ]" 6
44 1 59 VAL MG1 1 92 PRO QD 1.800 . 3.800 2.538 2.538 2.538 . 0 0 "[ ]" 6
45 1 52 ARG HD3 1 100 LEU MD2 1.800 . 3.200 3.206 3.206 3.206 0.006 1 0 "[ ]" 6
46 1 52 ARG HD2 1 100 LEU MD2 1.800 . 3.200 3.209 3.209 3.209 0.009 1 0 "[ ]" 6
47 1 54 LYS QE 1 100 LEU MD1 1.800 . 6.500 3.090 3.090 3.090 . 0 0 "[ ]" 6
48 1 54 LYS HA 1 100 LEU MD2 1.800 . 3.800 3.179 3.179 3.179 . 0 0 "[ ]" 6
49 1 54 LYS QE 1 100 LEU MD2 1.800 . 3.800 2.507 2.507 2.507 . 0 0 "[ ]" 6
50 1 99 PHE HA 1 100 LEU MD2 1.800 . 6.500 5.750 5.750 5.750 . 0 0 "[ ]" 6
51 1 110 MET QG 1 111 LEU MD1 1.800 . 6.500 5.385 5.385 5.385 . 0 0 "[ ]" 6
52 1 111 LEU HA 1 111 LEU MD1 1.800 . 3.800 3.662 3.662 3.662 . 0 0 "[ ]" 6
53 1 111 LEU HA 1 111 LEU MD2 1.800 . 3.200 2.724 2.724 2.724 . 0 0 "[ ]" 6
54 1 73 THR MG 1 116 TYR HB2 1.800 . 5.500 4.228 4.228 4.228 . 0 0 "[ ]" 6
55 1 73 THR MG 1 116 TYR HB3 1.800 . 3.800 2.967 2.967 2.967 . 0 0 "[ ]" 6
56 1 73 THR MG 1 118 ILE HG12 1.800 . 5.500 2.999 2.999 2.999 . 0 0 "[ ]" 6
57 1 73 THR MG 1 118 ILE HG13 1.800 . 5.500 4.376 4.376 4.376 . 0 0 "[ ]" 6
58 1 118 ILE HA 1 118 ILE HG12 1.800 . 3.300 2.520 2.520 2.520 . 0 0 "[ ]" 6
59 1 118 ILE H 1 118 ILE HG12 1.800 . 3.500 3.588 3.588 3.588 0.088 1 0 "[ ]" 6
60 1 118 ILE H 1 118 ILE MD 1.800 . 4.000 3.900 3.900 3.900 . 0 0 "[ ]" 6
61 1 64 VAL MG1 1 124 ASP QB 1.800 . 3.800 2.285 2.285 2.285 . 0 0 "[ ]" 6
62 1 128 THR HA 1 128 THR MG 1.800 . 3.200 3.205 3.205 3.205 0.005 1 0 "[ ]" 6
63 1 128 THR MG 1 130 HIS HA 1.800 . 3.800 3.847 3.847 3.847 0.047 1 0 "[ ]" 6
64 1 13 VAL QG 1 131 LEU MD1 1.800 . 6.000 4.728 4.728 4.728 . 0 0 "[ ]" 6
65 1 35 LEU MD1 1 131 LEU MD2 1.800 . 4.300 2.208 2.208 2.208 . 0 0 "[ ]" 6
66 1 131 LEU HA 1 131 LEU MD1 1.800 . 3.200 2.095 2.095 2.095 . 0 0 "[ ]" 6
67 1 131 LEU HA 1 131 LEU MD2 1.800 . 5.500 3.825 3.825 3.825 . 0 0 "[ ]" 6
68 1 43 PHE HB3 1 137 LEU MD2 1.800 . 6.500 4.477 4.477 4.477 . 0 0 "[ ]" 6
69 1 43 PHE HB2 1 137 LEU MD2 1.800 . 5.500 4.638 4.638 4.638 . 0 0 "[ ]" 6
70 1 45 LEU MD1 1 137 LEU MD2 1.800 . 3.700 1.975 1.975 1.975 . 0 0 "[ ]" 6
71 1 118 ILE MD 1 137 LEU MD2 1.800 . 3.700 2.668 2.668 2.668 . 0 0 "[ ]" 6
72 1 137 LEU HA 1 137 LEU MD2 1.800 . 3.800 3.807 3.807 3.807 0.007 1 0 "[ ]" 6
73 1 137 LEU HA 1 137 LEU MD1 1.800 . 3.200 2.000 2.000 2.000 . 0 0 "[ ]" 6
74 1 53 ILE H 1 101 THR MG 1.800 . 4.000 3.376 3.376 3.376 . 0 0 "[ ]" 6
75 1 101 THR HA 1 101 THR MG 1.800 . 3.200 2.477 2.477 2.477 . 0 0 "[ ]" 6
76 1 53 ILE HB 1 101 THR MG 1.800 . 3.200 2.235 2.235 2.235 . 0 0 "[ ]" 6
77 1 99 PHE QD 1 101 THR MG 1.800 . 3.800 3.041 3.041 3.041 . 0 0 "[ ]" 6
78 1 85 TYR QE 1 101 THR MG 1.800 . 3.800 3.079 3.079 3.079 . 0 0 "[ ]" 6
79 1 101 THR MG 1 102 PRO QD 1.800 . 3.800 3.367 3.367 3.367 . 0 0 "[ ]" 6
80 1 99 PHE HZ 1 101 THR MG 1.800 . 3.800 2.499 2.499 2.499 . 0 0 "[ ]" 6
81 1 99 PHE QE 1 101 THR MG 1.800 . 3.800 1.894 1.894 1.894 . 0 0 "[ ]" 6
82 1 87 VAL MG1 1 99 PHE QB 1.800 . 3.800 2.177 2.177 2.177 . 0 0 "[ ]" 6
83 1 87 VAL H 1 87 VAL MG1 1.800 . 5.500 3.727 3.727 3.727 . 0 0 "[ ]" 6
84 1 87 VAL HA 1 87 VAL MG1 1.800 . 3.200 2.423 2.423 2.423 . 0 0 "[ ]" 6
85 1 67 MET QB 1 87 VAL MG1 1.800 . 3.800 3.002 3.002 3.002 . 0 0 "[ ]" 6
86 1 87 VAL MG1 1 88 GLY H 1.800 . 5.500 2.999 2.999 2.999 . 0 0 "[ ]" 6
87 1 18 LEU MD2 1 51 TYR QB 1.800 . 5.500 2.837 2.837 2.837 . 0 0 "[ ]" 6
88 1 116 TYR HB2 1 137 LEU MD2 1.800 . 3.800 3.428 3.428 3.428 . 0 0 "[ ]" 6
89 1 43 PHE HB3 1 137 LEU MD1 1.800 . 3.800 1.901 1.901 1.901 . 0 0 "[ ]" 6
90 1 43 PHE HB2 1 137 LEU MD1 1.800 . 3.800 1.944 1.944 1.944 . 0 0 "[ ]" 6
91 1 45 LEU MD1 1 137 LEU MD1 1.800 . 3.200 1.783 1.783 1.783 0.017 1 0 "[ ]" 6
92 1 27 LEU MD1 1 43 PHE QB 1.800 . 5.500 3.380 3.380 3.380 . 0 0 "[ ]" 6
93 1 18 LEU HB3 1 27 LEU MD1 1.800 . 3.800 3.171 3.171 3.171 . 0 0 "[ ]" 6
94 1 18 LEU HB2 1 27 LEU MD1 1.800 . 3.800 3.242 3.242 3.242 . 0 0 "[ ]" 6
95 1 49 VAL MG1 1 143 TRP HZ2 1.800 . 3.200 3.204 3.204 3.204 0.004 1 0 "[ ]" 6
96 1 49 VAL MG1 1 143 TRP HH2 1.800 . 5.500 4.650 4.650 4.650 . 0 0 "[ ]" 6
97 1 46 LYS HB2 1 49 VAL MG1 1.800 . 3.800 2.040 2.040 2.040 . 0 0 "[ ]" 6
98 1 46 LYS HB3 1 49 VAL MG1 1.800 . 3.800 1.923 1.923 1.923 . 0 0 "[ ]" 6
99 1 49 VAL HA 1 49 VAL MG1 1.800 . 3.200 2.344 2.344 2.344 . 0 0 "[ ]" 6
100 1 46 LYS QE 1 49 VAL MG1 1.800 . 5.500 2.969 2.969 2.969 . 0 0 "[ ]" 6
101 1 46 LYS QD 1 49 VAL MG1 1.800 . 3.800 3.309 3.309 3.309 . 0 0 "[ ]" 6
102 1 69 TYR HE1 1 120 SER HB3 1.800 . 3.300 2.184 2.184 2.184 . 0 0 "[ ]" 6
103 1 69 TYR HE1 1 120 SER HB2 1.800 . 3.300 3.321 3.321 3.321 0.021 1 0 "[ ]" 6
104 1 22 THR HA 1 143 TRP HE1 1.800 . 6.000 6.014 6.014 6.014 0.014 1 0 "[ ]" 6
105 1 23 ALA HA 1 143 TRP HE1 1.800 . 6.000 3.919 3.919 3.919 . 0 0 "[ ]" 6
106 1 46 LYS QD 1 143 TRP HE1 1.800 . 2.900 2.318 2.318 2.318 . 0 0 "[ ]" 6
107 1 49 VAL MG1 1 143 TRP HE1 1.800 . 4.000 2.885 2.885 2.885 . 0 0 "[ ]" 6
108 1 49 VAL MG2 1 143 TRP HE1 1.800 . 5.500 4.675 4.675 4.675 . 0 0 "[ ]" 6
109 1 46 LYS QG 1 143 TRP HE1 1.800 . 5.000 3.714 3.714 3.714 . 0 0 "[ ]" 6
110 1 46 LYS QB 1 143 TRP HE1 1.800 . 5.000 2.341 2.341 2.341 . 0 0 "[ ]" 6
111 1 85 TYR QE 1 102 PRO HD3 1.800 . 5.000 4.198 4.198 4.198 . 0 0 "[ ]" 6
112 1 85 TYR QE 1 102 PRO HD2 1.800 . 5.000 2.488 2.488 2.488 . 0 0 "[ ]" 6
113 1 115 SER HB3 1 136 ASN HB3 1.800 . 5.000 3.666 3.666 3.666 . 0 0 "[ ]" 6
114 1 115 SER HB3 1 136 ASN HB2 1.800 . 5.000 4.931 4.931 4.931 . 0 0 "[ ]" 6
115 1 115 SER HB2 1 136 ASN HB3 1.800 . 5.000 2.525 2.525 2.525 . 0 0 "[ ]" 6
116 1 115 SER HB2 1 136 ASN HB2 1.800 . 5.000 4.013 4.013 4.013 . 0 0 "[ ]" 6
117 1 115 SER HB3 1 138 THR MG 1.800 . 5.500 3.670 3.670 3.670 . 0 0 "[ ]" 6
118 1 115 SER HB2 1 138 THR MG 1.800 . 6.500 4.955 4.955 4.955 . 0 0 "[ ]" 6
119 1 115 SER H 1 115 SER HB3 1.800 . 3.500 2.830 2.830 2.830 . 0 0 "[ ]" 6
120 1 113 ARG HD3 1 140 LYS HA 1.800 . 5.000 5.007 5.007 5.007 0.007 1 0 "[ ]" 6
121 1 113 ARG HD2 1 140 LYS HA 1.800 . 5.000 4.552 4.552 4.552 . 0 0 "[ ]" 6
122 1 113 ARG HB3 1 114 GLY QA 1.800 . 5.000 4.065 4.065 4.065 . 0 0 "[ ]" 6
123 1 113 ARG HB2 1 114 GLY QA 1.800 . 5.000 4.728 4.728 4.728 . 0 0 "[ ]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 591
_Distance_constraint_stats_list.Viol_count 47
_Distance_constraint_stats_list.Viol_total 1.882
_Distance_constraint_stats_list.Viol_max 0.215
_Distance_constraint_stats_list.Viol_rms 0.0160
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0400
_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 SER 0.000 0.000 . 0 "[ ]"
1 4 ALA 0.000 0.000 . 0 "[ ]"
1 5 ASP 0.000 0.000 . 0 "[ ]"
1 6 PRO 0.000 0.000 . 0 "[ ]"
1 7 ASN 0.000 0.000 . 0 "[ ]"
1 8 VAL 0.000 0.000 . 0 "[ ]"
1 9 PRO 0.000 0.000 . 0 "[ ]"
1 10 ASN 0.000 0.000 . 0 "[ ]"
1 11 VAL 0.000 0.000 . 0 "[ ]"
1 12 VAL 0.033 0.033 1 0 "[ ]"
1 13 VAL 0.000 0.000 . 0 "[ ]"
1 14 THR 0.000 0.000 . 0 "[ ]"
1 15 ARG 0.056 0.030 1 0 "[ ]"
1 16 LEU 0.000 0.000 . 0 "[ ]"
1 17 THR 0.074 0.074 1 0 "[ ]"
1 18 LEU 0.065 0.065 1 0 "[ ]"
1 19 VAL 0.000 0.000 . 0 "[ ]"
1 20 CYS 0.000 0.000 . 0 "[ ]"
1 21 SER 0.000 0.000 . 0 "[ ]"
1 22 THR 0.000 0.000 . 0 "[ ]"
1 23 ALA 0.023 0.023 1 0 "[ ]"
1 24 PRO 0.000 0.000 . 0 "[ ]"
1 25 GLY 0.072 0.050 1 0 "[ ]"
1 26 PRO 0.065 0.065 1 0 "[ ]"
1 27 LEU 0.000 0.000 . 0 "[ ]"
1 28 GLU 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.000 0.000 . 0 "[ ]"
1 30 ASP 0.000 0.000 . 0 "[ ]"
1 31 LEU 0.037 0.026 1 0 "[ ]"
1 32 THR 0.028 0.017 1 0 "[ ]"
1 33 GLY 0.000 0.000 . 0 "[ ]"
1 34 ASP 0.000 0.000 . 0 "[ ]"
1 35 LEU 0.017 0.017 1 0 "[ ]"
1 36 GLU 0.000 0.000 . 0 "[ ]"
1 37 SER 0.000 0.000 . 0 "[ ]"
1 38 PHE 0.000 0.000 . 0 "[ ]"
1 39 LYS 0.000 0.000 . 0 "[ ]"
1 40 LYS 0.011 0.011 1 0 "[ ]"
1 41 GLN 0.011 0.011 1 0 "[ ]"
1 42 SER 0.050 0.031 1 0 "[ ]"
1 43 PHE 0.000 0.000 . 0 "[ ]"
1 44 VAL 0.009 0.009 1 0 "[ ]"
1 45 LEU 0.000 0.000 . 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 47 GLU 0.208 0.127 1 0 "[ ]"
1 48 GLY 0.127 0.127 1 0 "[ ]"
1 49 VAL 0.093 0.093 1 0 "[ ]"
1 50 GLU 0.000 0.000 . 0 "[ ]"
1 51 TYR 0.017 0.012 1 0 "[ ]"
1 52 ARG 0.000 0.000 . 0 "[ ]"
1 53 ILE 0.000 0.000 . 0 "[ ]"
1 54 LYS 0.000 0.000 . 0 "[ ]"
1 55 ILE 0.084 0.074 1 0 "[ ]"
1 56 SER 0.038 0.038 1 0 "[ ]"
1 57 PHE 0.040 0.030 1 0 "[ ]"
1 58 ARG 0.000 0.000 . 0 "[ ]"
1 59 VAL 0.088 0.088 1 0 "[ ]"
1 60 ASN 0.067 0.034 1 0 "[ ]"
1 61 ARG 0.096 0.062 1 0 "[ ]"
1 62 GLU 0.000 0.000 . 0 "[ ]"
1 63 ILE 0.000 0.000 . 0 "[ ]"
1 64 VAL 0.000 0.000 . 0 "[ ]"
1 65 SER 0.000 0.000 . 0 "[ ]"
1 66 GLY 0.000 0.000 . 0 "[ ]"
1 67 MET 0.008 0.008 1 0 "[ ]"
1 68 LYS 0.000 0.000 . 0 "[ ]"
1 69 TYR 0.005 0.005 1 0 "[ ]"
1 70 ILE 0.000 0.000 . 0 "[ ]"
1 71 GLN 0.000 0.000 . 0 "[ ]"
1 72 HIS 0.064 0.054 1 0 "[ ]"
1 73 THR 0.090 0.054 1 0 "[ ]"
1 74 TYR 0.017 0.017 1 0 "[ ]"
1 75 ARG 0.000 0.000 . 0 "[ ]"
1 76 LYS 0.009 0.009 1 0 "[ ]"
1 77 GLY 0.009 0.009 1 0 "[ ]"
1 78 VAL 0.000 0.000 . 0 "[ ]"
1 79 LYS 0.000 0.000 . 0 "[ ]"
1 80 ILE 0.000 0.000 . 0 "[ ]"
1 81 ASP 0.020 0.020 1 0 "[ ]"
1 82 LYS 0.000 0.000 . 0 "[ ]"
1 83 THR 0.016 0.016 1 0 "[ ]"
1 84 ASP 0.000 0.000 . 0 "[ ]"
1 85 TYR 0.000 0.000 . 0 "[ ]"
1 86 MET 0.008 0.008 1 0 "[ ]"
1 87 VAL 0.000 0.000 . 0 "[ ]"
1 88 GLY 0.000 0.000 . 0 "[ ]"
1 89 SER 0.000 0.000 . 0 "[ ]"
1 90 TYR 0.000 0.000 . 0 "[ ]"
1 91 GLY 0.000 0.000 . 0 "[ ]"
1 92 PRO 0.000 0.000 . 0 "[ ]"
1 93 ARG 0.000 0.000 . 0 "[ ]"
1 94 ALA 0.000 0.000 . 0 "[ ]"
1 95 GLU 0.122 0.122 1 0 "[ ]"
1 96 GLU 0.122 0.122 1 0 "[ ]"
1 97 TYR 0.000 0.000 . 0 "[ ]"
1 98 GLU 0.038 0.038 1 0 "[ ]"
1 99 PHE 0.020 0.011 1 0 "[ ]"
1 100 LEU 0.000 0.000 . 0 "[ ]"
1 101 THR 0.000 0.000 . 0 "[ ]"
1 102 PRO 0.000 0.000 . 0 "[ ]"
1 103 MET 0.000 0.000 . 0 "[ ]"
1 104 GLU 0.000 0.000 . 0 "[ ]"
1 105 GLU 0.012 0.012 1 0 "[ ]"
1 106 ALA 0.006 0.006 1 0 "[ ]"
1 107 PRO 0.000 0.000 . 0 "[ ]"
1 108 LYS 0.000 0.000 . 0 "[ ]"
1 109 GLY 0.000 0.000 . 0 "[ ]"
1 110 MET 0.000 0.000 . 0 "[ ]"
1 111 LEU 0.007 0.007 1 0 "[ ]"
1 112 ALA 0.007 0.007 1 0 "[ ]"
1 113 ARG 0.000 0.000 . 0 "[ ]"
1 114 GLY 0.000 0.000 . 0 "[ ]"
1 115 SER 0.000 0.000 . 0 "[ ]"
1 116 TYR 0.020 0.020 1 0 "[ ]"
1 117 ASN 0.017 0.017 1 0 "[ ]"
1 118 ILE 0.000 0.000 . 0 "[ ]"
1 119 LYS 0.000 0.000 . 0 "[ ]"
1 120 SER 0.009 0.009 1 0 "[ ]"
1 121 ARG 0.055 0.050 1 0 "[ ]"
1 122 PHE 0.000 0.000 . 0 "[ ]"
1 123 THR 0.064 0.064 1 0 "[ ]"
1 124 ASP 0.074 0.064 1 0 "[ ]"
1 125 ASP 0.215 0.215 1 0 "[ ]"
1 126 ASP 0.123 0.113 1 0 "[ ]"
1 127 ARG 0.290 0.215 1 0 "[ ]"
1 128 THR 0.188 0.113 1 0 "[ ]"
1 129 ASP 0.000 0.000 . 0 "[ ]"
1 130 HIS 0.000 0.000 . 0 "[ ]"
1 131 LEU 0.050 0.050 1 0 "[ ]"
1 132 SER 0.000 0.000 . 0 "[ ]"
1 133 TRP 0.054 0.054 1 0 "[ ]"
1 134 GLU 0.000 0.000 . 0 "[ ]"
1 135 TRP 0.078 0.054 1 0 "[ ]"
1 136 ASN 0.035 0.023 1 0 "[ ]"
1 137 LEU 0.008 0.008 1 0 "[ ]"
1 138 THR 0.060 0.031 1 0 "[ ]"
1 139 ILE 0.000 0.000 . 0 "[ ]"
1 140 LYS 0.081 0.081 1 0 "[ ]"
1 141 LYS 0.018 0.018 1 0 "[ ]"
1 142 GLU 0.018 0.018 1 0 "[ ]"
1 143 TRP 0.050 0.050 1 0 "[ ]"
1 144 LYS 0.011 0.011 1 0 "[ ]"
1 145 ASP 0.011 0.011 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 ASN H 1 8 VAL H 1.800 . 5.000 3.163 3.163 3.163 . 0 0 "[ ]" 7
2 1 10 ASN H 1 11 VAL H 1.800 . 3.500 2.724 2.724 2.724 . 0 0 "[ ]" 7
3 1 11 VAL H 1 12 VAL H 1.800 . 5.000 4.246 4.246 4.246 . 0 0 "[ ]" 7
4 1 12 VAL H 1 13 VAL H 1.800 . 5.000 4.384 4.384 4.384 . 0 0 "[ ]" 7
5 1 13 VAL H 1 14 THR H 1.800 . 6.000 4.379 4.379 4.379 . 0 0 "[ ]" 7
6 1 14 THR H 1 15 ARG H 1.800 . 2.900 2.673 2.673 2.673 . 0 0 "[ ]" 7
7 1 15 ARG H 1 16 LEU H 1.800 . 5.000 4.438 4.438 4.438 . 0 0 "[ ]" 7
8 1 16 LEU H 1 17 THR H 1.800 . 6.000 4.224 4.224 4.224 . 0 0 "[ ]" 7
9 1 22 THR H 1 23 ALA H 1.800 . 3.500 2.489 2.489 2.489 . 0 0 "[ ]" 7
10 1 23 ALA H 1 25 GLY H 1.800 . 5.000 5.023 5.023 5.023 0.023 1 0 "[ ]" 7
11 1 18 LEU H 1 27 LEU H 1.800 . 5.000 3.048 3.048 3.048 . 0 0 "[ ]" 7
12 1 18 LEU H 1 28 GLU H 1.800 . 6.000 5.358 5.358 5.358 . 0 0 "[ ]" 7
13 1 27 LEU H 1 28 GLU H 1.800 . 5.000 4.552 4.552 4.552 . 0 0 "[ ]" 7
14 1 16 LEU H 1 29 LEU H 1.800 . 3.500 2.511 2.511 2.511 . 0 0 "[ ]" 7
15 1 18 LEU H 1 29 LEU H 1.800 . 6.000 5.897 5.897 5.897 . 0 0 "[ ]" 7
16 1 28 GLU H 1 29 LEU H 1.800 . 5.000 4.439 4.439 4.439 . 0 0 "[ ]" 7
17 1 29 LEU H 1 30 ASP H 1.800 . 6.000 4.548 4.548 4.548 . 0 0 "[ ]" 7
18 1 16 LEU H 1 31 LEU H 1.800 . 5.000 4.920 4.920 4.920 . 0 0 "[ ]" 7
19 1 31 LEU H 1 32 THR H 1.800 . 2.900 2.911 2.911 2.911 0.011 1 0 "[ ]" 7
20 1 32 THR H 1 33 GLY H 1.800 . 2.900 2.485 2.485 2.485 . 0 0 "[ ]" 7
21 1 33 GLY H 1 34 ASP H 1.800 . 5.000 2.174 2.174 2.174 . 0 0 "[ ]" 7
22 1 35 LEU H 1 37 SER H 1.800 . 6.000 4.200 4.200 4.200 . 0 0 "[ ]" 7
23 1 36 GLU H 1 37 SER H 1.800 . 3.500 2.769 2.769 2.769 . 0 0 "[ ]" 7
24 1 35 LEU H 1 38 PHE H 1.800 . 6.000 5.572 5.572 5.572 . 0 0 "[ ]" 7
25 1 36 GLU H 1 38 PHE H 1.800 . 5.000 4.321 4.321 4.321 . 0 0 "[ ]" 7
26 1 37 SER H 1 38 PHE H 1.800 . 3.500 2.678 2.678 2.678 . 0 0 "[ ]" 7
27 1 38 PHE H 1 39 LYS H 1.800 . 3.500 2.886 2.886 2.886 . 0 0 "[ ]" 7
28 1 38 PHE H 1 40 LYS H 1.800 . 5.000 3.910 3.910 3.910 . 0 0 "[ ]" 7
29 1 39 LYS H 1 40 LYS H 1.800 . 3.500 2.714 2.714 2.714 . 0 0 "[ ]" 7
30 1 42 SER H 1 43 PHE H 1.800 . 5.000 4.406 4.406 4.406 . 0 0 "[ ]" 7
31 1 43 PHE H 1 44 VAL H 1.800 . 5.000 4.239 4.239 4.239 . 0 0 "[ ]" 7
32 1 47 GLU H 1 48 GLY H 1.800 . 6.000 4.365 4.365 4.365 . 0 0 "[ ]" 7
33 1 49 VAL H 1 50 GLU H 1.800 . 5.000 4.626 4.626 4.626 . 0 0 "[ ]" 7
34 1 49 VAL H 1 51 TYR QE 1.800 . 6.000 4.208 4.208 4.208 . 0 0 "[ ]" 7
35 1 50 GLU H 1 51 TYR H 1.800 . 6.000 4.145 4.145 4.145 . 0 0 "[ ]" 7
36 1 19 VAL H 1 52 ARG H 1.800 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 7
37 1 51 TYR QE 1 52 ARG H 1.800 . 6.000 5.724 5.724 5.724 . 0 0 "[ ]" 7
38 1 51 TYR H 1 52 ARG H 1.800 . 6.000 4.563 4.563 4.563 . 0 0 "[ ]" 7
39 1 17 THR H 1 54 LYS H 1.800 . 3.500 3.101 3.101 3.101 . 0 0 "[ ]" 7
40 1 54 LYS H 1 55 ILE H 1.800 . 6.000 4.128 4.128 4.128 . 0 0 "[ ]" 7
41 1 15 ARG H 1 56 SER H 1.800 . 3.500 3.060 3.060 3.060 . 0 0 "[ ]" 7
42 1 17 THR H 1 56 SER H 1.800 . 5.000 4.750 4.750 4.750 . 0 0 "[ ]" 7
43 1 55 ILE H 1 56 SER H 1.800 . 6.000 4.574 4.574 4.574 . 0 0 "[ ]" 7
44 1 15 ARG H 1 57 PHE H 1.800 . 5.000 5.030 5.030 5.030 0.030 1 0 "[ ]" 7
45 1 56 SER H 1 57 PHE H 1.800 . 5.000 4.468 4.468 4.468 . 0 0 "[ ]" 7
46 1 12 VAL H 1 58 ARG H 1.800 . 5.000 3.170 3.170 3.170 . 0 0 "[ ]" 7
47 1 13 VAL H 1 58 ARG H 1.800 . 6.000 5.854 5.854 5.854 . 0 0 "[ ]" 7
48 1 58 ARG H 1 59 VAL H 1.800 . 6.000 4.641 4.641 4.641 . 0 0 "[ ]" 7
49 1 12 VAL H 1 60 ASN H 1.800 . 6.000 6.033 6.033 6.033 0.033 1 0 "[ ]" 7
50 1 60 ASN H 1 61 ARG H 1.800 . 2.900 2.934 2.934 2.934 0.034 1 0 "[ ]" 7
51 1 60 ASN H 1 62 GLU H 1.800 . 5.000 4.764 4.764 4.764 . 0 0 "[ ]" 7
52 1 65 SER H 1 67 MET H 1.800 . 6.000 5.906 5.906 5.906 . 0 0 "[ ]" 7
53 1 66 GLY H 1 67 MET H 1.800 . 3.500 2.049 2.049 2.049 . 0 0 "[ ]" 7
54 1 70 ILE H 1 71 GLN H 1.800 . 5.000 4.593 4.593 4.593 . 0 0 "[ ]" 7
55 1 71 GLN H 1 72 HIS H 1.800 . 5.000 4.001 4.001 4.001 . 0 0 "[ ]" 7
56 1 72 HIS H 1 73 THR H 1.800 . 5.000 4.407 4.407 4.407 . 0 0 "[ ]" 7
57 1 73 THR H 1 74 TYR H 1.800 . 6.000 4.103 4.103 4.103 . 0 0 "[ ]" 7
58 1 74 TYR H 1 75 ARG H 1.800 . 6.000 4.585 4.585 4.585 . 0 0 "[ ]" 7
59 1 76 LYS H 1 77 GLY H 1.800 . 6.000 2.830 2.830 2.830 . 0 0 "[ ]" 7
60 1 75 ARG H 1 78 VAL H 1.800 . 3.500 2.486 2.486 2.486 . 0 0 "[ ]" 7
61 1 77 GLY H 1 78 VAL H 1.800 . 3.500 2.468 2.468 2.468 . 0 0 "[ ]" 7
62 1 78 VAL H 1 79 LYS H 1.800 . 5.000 3.989 3.989 3.989 . 0 0 "[ ]" 7
63 1 73 THR H 1 81 ASP H 1.800 . 3.500 3.195 3.195 3.195 . 0 0 "[ ]" 7
64 1 75 ARG H 1 81 ASP H 1.800 . 6.000 5.849 5.849 5.849 . 0 0 "[ ]" 7
65 1 81 ASP H 1 82 LYS H 1.800 . 5.000 4.140 4.140 4.140 . 0 0 "[ ]" 7
66 1 72 HIS H 1 83 THR H 1.800 . 6.000 5.208 5.208 5.208 . 0 0 "[ ]" 7
67 1 73 THR H 1 83 THR H 1.800 . 5.000 5.016 5.016 5.016 0.016 1 0 "[ ]" 7
68 1 82 LYS H 1 83 THR H 1.800 . 5.000 4.392 4.392 4.392 . 0 0 "[ ]" 7
69 1 83 THR H 1 84 ASP H 1.800 . 5.000 4.476 4.476 4.476 . 0 0 "[ ]" 7
70 1 69 TYR H 1 85 TYR H 1.800 . 5.000 3.018 3.018 3.018 . 0 0 "[ ]" 7
71 1 71 GLN H 1 85 TYR H 1.800 . 6.000 4.948 4.948 4.948 . 0 0 "[ ]" 7
72 1 84 ASP H 1 85 TYR H 1.800 . 5.000 4.292 4.292 4.292 . 0 0 "[ ]" 7
73 1 85 TYR H 1 86 MET H 1.800 . 5.000 4.311 4.311 4.311 . 0 0 "[ ]" 7
74 1 67 MET H 1 87 VAL H 1.800 . 5.000 4.953 4.953 4.953 . 0 0 "[ ]" 7
75 1 86 MET H 1 87 VAL H 1.800 . 5.000 4.469 4.469 4.469 . 0 0 "[ ]" 7
76 1 67 MET H 1 88 GLY H 1.800 . 5.000 3.189 3.189 3.189 . 0 0 "[ ]" 7
77 1 87 VAL H 1 88 GLY H 1.800 . 2.900 2.818 2.818 2.818 . 0 0 "[ ]" 7
78 1 66 GLY H 1 89 SER H 1.800 . 5.000 4.052 4.052 4.052 . 0 0 "[ ]" 7
79 1 67 MET H 1 89 SER H 1.800 . 5.000 4.548 4.548 4.548 . 0 0 "[ ]" 7
80 1 88 GLY H 1 89 SER H 1.800 . 5.000 4.389 4.389 4.389 . 0 0 "[ ]" 7
81 1 67 MET H 1 90 TYR QD 1.800 . 6.000 4.495 4.495 4.495 . 0 0 "[ ]" 7
82 1 89 SER H 1 90 TYR QD 1.800 . 6.000 4.893 4.893 4.893 . 0 0 "[ ]" 7
83 1 90 TYR H 1 90 TYR QD 1.800 . 5.000 3.379 3.379 3.379 . 0 0 "[ ]" 7
84 1 90 TYR QD 1 91 GLY H 1.800 . 5.000 4.033 4.033 4.033 . 0 0 "[ ]" 7
85 1 93 ARG H 1 95 GLU H 1.800 . 6.000 4.354 4.354 4.354 . 0 0 "[ ]" 7
86 1 95 GLU H 1 96 GLU H 1.800 . 5.000 4.136 4.136 4.136 . 0 0 "[ ]" 7
87 1 57 PHE H 1 97 TYR H 1.800 . 5.000 2.309 2.309 2.309 . 0 0 "[ ]" 7
88 1 96 GLU H 1 97 TYR H 1.800 . 5.000 4.520 4.520 4.520 . 0 0 "[ ]" 7
89 1 97 TYR H 1 98 GLU H 1.800 . 5.000 4.478 4.478 4.478 . 0 0 "[ ]" 7
90 1 55 ILE H 1 99 PHE H 1.800 . 3.500 3.511 3.511 3.511 0.011 1 0 "[ ]" 7
91 1 57 PHE H 1 99 PHE H 1.800 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 7
92 1 98 GLU H 1 99 PHE H 1.800 . 5.000 3.975 3.975 3.975 . 0 0 "[ ]" 7
93 1 99 PHE H 1 100 LEU H 1.800 . 5.000 4.674 4.674 4.674 . 0 0 "[ ]" 7
94 1 53 ILE H 1 101 THR H 1.800 . 3.500 2.528 2.528 2.528 . 0 0 "[ ]" 7
95 1 55 ILE H 1 101 THR H 1.800 . 5.000 4.820 4.820 4.820 . 0 0 "[ ]" 7
96 1 100 LEU H 1 101 THR H 1.800 . 5.000 4.184 4.184 4.184 . 0 0 "[ ]" 7
97 1 51 TYR H 1 104 GLU H 1.800 . 3.500 3.002 3.002 3.002 . 0 0 "[ ]" 7
98 1 103 MET H 1 104 GLU H 1.800 . 5.000 4.491 4.491 4.491 . 0 0 "[ ]" 7
99 1 51 TYR QD 1 105 GLU H 1.800 . 6.000 5.843 5.843 5.843 . 0 0 "[ ]" 7
100 1 51 TYR QE 1 105 GLU H 1.800 . 6.000 5.478 5.478 5.478 . 0 0 "[ ]" 7
101 1 104 GLU H 1 105 GLU H 1.800 . 5.000 4.272 4.272 4.272 . 0 0 "[ ]" 7
102 1 49 VAL H 1 106 ALA H 1.800 . 5.000 2.760 2.760 2.760 . 0 0 "[ ]" 7
103 1 51 TYR QE 1 106 ALA H 1.800 . 5.000 2.838 2.838 2.838 . 0 0 "[ ]" 7
104 1 105 GLU H 1 106 ALA H 1.800 . 6.000 4.589 4.589 4.589 . 0 0 "[ ]" 7
105 1 48 GLY H 1 108 LYS H 1.800 . 6.000 4.374 4.374 4.374 . 0 0 "[ ]" 7
106 1 108 LYS H 1 109 GLY H 1.800 . 5.000 4.537 4.537 4.537 . 0 0 "[ ]" 7
107 1 111 LEU H 1 112 ALA H 1.800 . 5.000 2.395 2.395 2.395 . 0 0 "[ ]" 7
108 1 112 ALA H 1 113 ARG H 1.800 . 2.900 2.743 2.743 2.743 . 0 0 "[ ]" 7
109 1 114 GLY H 1 115 SER H 1.800 . 6.000 4.412 4.412 4.412 . 0 0 "[ ]" 7
110 1 114 GLY H 1 139 ILE H 1.800 . 2.900 2.400 2.400 2.400 . 0 0 "[ ]" 7
111 1 74 TYR H 1 117 ASN H 1.800 . 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 7
112 1 116 TYR H 1 117 ASN H 1.800 . 6.000 4.076 4.076 4.076 . 0 0 "[ ]" 7
113 1 117 ASN H 1 118 ILE H 1.800 . 5.000 4.611 4.611 4.611 . 0 0 "[ ]" 7
114 1 72 HIS H 1 119 LYS H 1.800 . 3.500 2.383 2.383 2.383 . 0 0 "[ ]" 7
115 1 74 TYR H 1 119 LYS H 1.800 . 6.000 3.503 3.503 3.503 . 0 0 "[ ]" 7
116 1 70 ILE H 1 122 PHE H 1.800 . 6.000 5.115 5.115 5.115 . 0 0 "[ ]" 7
117 1 68 LYS H 1 123 THR H 1.800 . 5.000 3.591 3.591 3.591 . 0 0 "[ ]" 7
118 1 68 LYS H 1 125 ASP H 1.800 . 6.000 5.419 5.419 5.419 . 0 0 "[ ]" 7
119 1 124 ASP H 1 125 ASP H 1.800 . 5.000 4.201 4.201 4.201 . 0 0 "[ ]" 7
120 1 124 ASP H 1 126 ASP H 1.800 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 7
121 1 125 ASP H 1 126 ASP H 1.800 . 3.500 2.766 2.766 2.766 . 0 0 "[ ]" 7
122 1 126 ASP H 1 128 THR H 1.800 . 5.000 3.882 3.882 3.882 . 0 0 "[ ]" 7
123 1 127 ARG H 1 128 THR H 1.800 . 3.500 3.045 3.045 3.045 . 0 0 "[ ]" 7
124 1 130 HIS H 1 131 LEU H 1.800 . 2.900 2.826 2.826 2.826 . 0 0 "[ ]" 7
125 1 131 LEU H 1 132 SER H 1.800 . 5.000 4.342 4.342 4.342 . 0 0 "[ ]" 7
126 1 38 PHE H 1 38 PHE QD 1.800 . 3.500 2.023 2.023 2.023 . 0 0 "[ ]" 7
127 1 120 SER H 1 133 TRP H 1.800 . 3.500 3.455 3.455 3.455 . 0 0 "[ ]" 7
128 1 132 SER H 1 133 TRP H 1.800 . 5.000 4.350 4.350 4.350 . 0 0 "[ ]" 7
129 1 133 TRP HE1 1 134 GLU H 1.800 . 6.000 5.071 5.071 5.071 . 0 0 "[ ]" 7
130 1 118 ILE H 1 135 TRP H 1.800 . 2.900 2.856 2.856 2.856 . 0 0 "[ ]" 7
131 1 120 SER H 1 135 TRP HD1 1.800 . 5.000 4.227 4.227 4.227 . 0 0 "[ ]" 7
132 1 120 SER H 1 135 TRP HE1 1.800 . 6.000 4.026 4.026 4.026 . 0 0 "[ ]" 7
133 1 133 TRP H 1 135 TRP HD1 1.800 . 6.000 5.188 5.188 5.188 . 0 0 "[ ]" 7
134 1 133 TRP HD1 1 135 TRP HE1 1.800 . 5.000 4.226 4.226 4.226 . 0 0 "[ ]" 7
135 1 133 TRP HE1 1 135 TRP HE1 1.800 . 5.000 2.487 2.487 2.487 . 0 0 "[ ]" 7
136 1 135 TRP H 1 135 TRP HE1 1.800 . 6.000 3.962 3.962 3.962 . 0 0 "[ ]" 7
137 1 43 PHE H 1 136 ASN H 1.800 . 6.000 4.601 4.601 4.601 . 0 0 "[ ]" 7
138 1 43 PHE H 1 137 LEU H 1.800 . 6.000 4.442 4.442 4.442 . 0 0 "[ ]" 7
139 1 116 TYR H 1 137 LEU H 1.800 . 3.500 2.021 2.021 2.021 . 0 0 "[ ]" 7
140 1 43 PHE H 1 138 THR H 1.800 . 5.000 2.343 2.343 2.343 . 0 0 "[ ]" 7
141 1 45 LEU H 1 138 THR H 1.800 . 5.000 4.668 4.668 4.668 . 0 0 "[ ]" 7
142 1 137 LEU H 1 138 THR H 1.800 . 6.000 4.162 4.162 4.162 . 0 0 "[ ]" 7
143 1 116 TYR H 1 139 ILE H 1.800 . 6.000 4.525 4.525 4.525 . 0 0 "[ ]" 7
144 1 138 THR H 1 139 ILE H 1.800 . 6.000 4.370 4.370 4.370 . 0 0 "[ ]" 7
145 1 45 LEU H 1 140 LYS H 1.800 . 5.000 3.813 3.813 3.813 . 0 0 "[ ]" 7
146 1 47 GLU H 1 140 LYS H 1.800 . 3.500 3.581 3.581 3.581 0.081 1 0 "[ ]" 7
147 1 139 ILE H 1 140 LYS H 1.800 . 6.000 4.673 4.673 4.673 . 0 0 "[ ]" 7
148 1 141 LYS H 1 142 GLU H 1.800 . 2.900 1.998 1.998 1.998 . 0 0 "[ ]" 7
149 1 23 ALA H 1 143 TRP HH2 1.800 . 5.000 4.651 4.651 4.651 . 0 0 "[ ]" 7
150 1 25 GLY H 1 143 TRP HE3 1.800 . 6.000 6.050 6.050 6.050 0.050 1 0 "[ ]" 7
151 1 25 GLY H 1 143 TRP HH2 1.800 . 6.000 4.828 4.828 4.828 . 0 0 "[ ]" 7
152 1 143 TRP H 1 143 TRP HE1 1.800 . 5.000 4.419 4.419 4.419 . 0 0 "[ ]" 7
153 1 142 GLU H 1 145 ASP H 1.800 . 6.000 5.827 5.827 5.827 . 0 0 "[ ]" 7
154 1 3 SER HA 1 4 ALA H 1.800 . 6.000 2.298 2.298 2.298 . 0 0 "[ ]" 7
155 1 4 ALA HA 1 5 ASP H 1.800 . 3.500 3.010 3.010 3.010 . 0 0 "[ ]" 7
156 1 6 PRO HA 1 7 ASN H 1.800 . 5.000 3.412 3.412 3.412 . 0 0 "[ ]" 7
157 1 6 PRO QD 1 7 ASN H 1.800 . 5.000 2.757 2.757 2.757 . 0 0 "[ ]" 7
158 1 7 ASN HA 1 8 VAL H 1.800 . 2.900 2.522 2.522 2.522 . 0 0 "[ ]" 7
159 1 8 VAL H 1 9 PRO QD 1.800 . 5.000 4.161 4.161 4.161 . 0 0 "[ ]" 7
160 1 9 PRO HA 1 10 ASN H 1.800 . 2.900 2.433 2.433 2.433 . 0 0 "[ ]" 7
161 1 9 PRO QB 1 10 ASN H 1.800 . 5.000 2.666 2.666 2.666 . 0 0 "[ ]" 7
162 1 10 ASN H 1 10 ASN QB 1.800 . 2.900 2.211 2.211 2.211 . 0 0 "[ ]" 7
163 1 9 PRO QB 1 11 VAL H 1.800 . 5.000 3.748 3.748 3.748 . 0 0 "[ ]" 7
164 1 10 ASN HA 1 11 VAL H 1.800 . 5.000 3.581 3.581 3.581 . 0 0 "[ ]" 7
165 1 10 ASN QB 1 11 VAL H 1.800 . 5.000 1.980 1.980 1.980 . 0 0 "[ ]" 7
166 1 11 VAL HA 1 12 VAL H 1.800 . 2.900 2.181 2.181 2.181 . 0 0 "[ ]" 7
167 1 12 VAL HA 1 13 VAL H 1.800 . 2.900 2.276 2.276 2.276 . 0 0 "[ ]" 7
168 1 12 VAL QG 1 13 VAL H 1.800 . 3.400 2.412 2.412 2.412 . 0 0 "[ ]" 7
169 1 13 VAL H 1 13 VAL HB 1.800 . 2.900 2.479 2.479 2.479 . 0 0 "[ ]" 7
170 1 13 VAL H 1 13 VAL QG 1.800 . 3.400 1.954 1.954 1.954 . 0 0 "[ ]" 7
171 1 13 VAL HA 1 14 THR H 1.800 . 2.900 2.227 2.227 2.227 . 0 0 "[ ]" 7
172 1 13 VAL HA 1 15 ARG H 1.800 . 5.000 4.040 4.040 4.040 . 0 0 "[ ]" 7
173 1 14 THR HA 1 15 ARG H 1.800 . 5.000 3.585 3.585 3.585 . 0 0 "[ ]" 7
174 1 14 THR HB 1 15 ARG H 1.800 . 5.000 3.375 3.375 3.375 . 0 0 "[ ]" 7
175 1 15 ARG HA 1 16 LEU H 1.800 . 2.900 2.472 2.472 2.472 . 0 0 "[ ]" 7
176 1 16 LEU HA 1 17 THR H 1.800 . 2.900 2.216 2.216 2.216 . 0 0 "[ ]" 7
177 1 17 THR H 1 17 THR HB 1.800 . 3.500 2.583 2.583 2.583 . 0 0 "[ ]" 7
178 1 17 THR HA 1 18 LEU H 1.800 . 2.900 2.417 2.417 2.417 . 0 0 "[ ]" 7
179 1 17 THR HB 1 18 LEU H 1.800 . 5.000 3.591 3.591 3.591 . 0 0 "[ ]" 7
180 1 18 LEU HA 1 19 VAL H 1.800 . 2.900 2.270 2.270 2.270 . 0 0 "[ ]" 7
181 1 18 LEU QB 1 19 VAL H 1.800 . 5.000 3.783 3.783 3.783 . 0 0 "[ ]" 7
182 1 19 VAL HA 1 20 CYS H 1.800 . 2.900 2.447 2.447 2.447 . 0 0 "[ ]" 7
183 1 19 VAL HB 1 20 CYS H 1.800 . 6.000 3.643 3.643 3.643 . 0 0 "[ ]" 7
184 1 19 VAL QG 1 20 CYS H 1.800 . 4.000 1.915 1.915 1.915 . 0 0 "[ ]" 7
185 1 21 SER HA 1 22 THR H 1.800 . 5.000 3.521 3.521 3.521 . 0 0 "[ ]" 7
186 1 22 THR H 1 22 THR MG 1.800 . 4.000 3.142 3.142 3.142 . 0 0 "[ ]" 7
187 1 21 SER HA 1 23 ALA H 1.800 . 5.000 4.387 4.387 4.387 . 0 0 "[ ]" 7
188 1 21 SER QB 1 23 ALA H 1.800 . 6.000 5.139 5.139 5.139 . 0 0 "[ ]" 7
189 1 22 THR H 1 23 ALA MB 1.800 . 5.500 3.593 3.593 3.593 . 0 0 "[ ]" 7
190 1 22 THR HA 1 23 ALA H 1.800 . 5.000 2.959 2.959 2.959 . 0 0 "[ ]" 7
191 1 23 ALA H 1 23 ALA MB 1.800 . 3.400 2.153 2.153 2.153 . 0 0 "[ ]" 7
192 1 23 ALA MB 1 25 GLY H 1.800 . 4.000 2.520 2.520 2.520 . 0 0 "[ ]" 7
193 1 24 PRO HA 1 25 GLY H 1.800 . 5.000 3.521 3.521 3.521 . 0 0 "[ ]" 7
194 1 24 PRO QD 1 25 GLY H 1.800 . 5.000 2.564 2.564 2.564 . 0 0 "[ ]" 7
195 1 18 LEU H 1 26 PRO HA 1.800 . 2.900 2.965 2.965 2.965 0.065 1 0 "[ ]" 7
196 1 25 GLY H 1 26 PRO QD 1.800 . 5.000 4.365 4.365 4.365 . 0 0 "[ ]" 7
197 1 26 PRO HA 1 27 LEU H 1.800 . 2.900 2.286 2.286 2.286 . 0 0 "[ ]" 7
198 1 26 PRO QB 1 27 LEU H 1.800 . 5.000 3.759 3.759 3.759 . 0 0 "[ ]" 7
199 1 26 PRO QD 1 27 LEU H 1.800 . 6.000 4.725 4.725 4.725 . 0 0 "[ ]" 7
200 1 27 LEU H 1 27 LEU QB 1.800 . 5.000 2.288 2.288 2.288 . 0 0 "[ ]" 7
201 1 27 LEU H 1 27 LEU QD 1.800 . 5.500 2.810 2.810 2.810 . 0 0 "[ ]" 7
202 1 27 LEU H 1 27 LEU HG 1.800 . 3.500 2.279 2.279 2.279 . 0 0 "[ ]" 7
203 1 16 LEU H 1 28 GLU HA 1.800 . 5.000 3.834 3.834 3.834 . 0 0 "[ ]" 7
204 1 17 THR HA 1 28 GLU H 1.800 . 5.000 4.689 4.689 4.689 . 0 0 "[ ]" 7
205 1 18 LEU H 1 28 GLU HA 1.800 . 5.000 4.449 4.449 4.449 . 0 0 "[ ]" 7
206 1 27 LEU HA 1 28 GLU H 1.800 . 2.900 2.204 2.204 2.204 . 0 0 "[ ]" 7
207 1 27 LEU QD 1 28 GLU H 1.800 . 5.500 3.657 3.657 3.657 . 0 0 "[ ]" 7
208 1 28 GLU H 1 28 GLU QG 1.800 . 5.000 2.957 2.957 2.957 . 0 0 "[ ]" 7
209 1 17 THR HA 1 29 LEU H 1.800 . 5.000 3.845 3.845 3.845 . 0 0 "[ ]" 7
210 1 28 GLU HA 1 29 LEU H 1.800 . 2.900 2.203 2.203 2.203 . 0 0 "[ ]" 7
211 1 16 LEU H 1 30 ASP HA 1.800 . 5.000 4.470 4.470 4.470 . 0 0 "[ ]" 7
212 1 29 LEU HA 1 30 ASP H 1.800 . 2.900 2.268 2.268 2.268 . 0 0 "[ ]" 7
213 1 30 ASP H 1 30 ASP HB3 1.800 . 2.900 2.804 2.804 2.804 . 0 0 "[ ]" 7
214 1 30 ASP H 1 30 ASP HB2 1.800 . 2.900 2.217 2.217 2.217 . 0 0 "[ ]" 7
215 1 15 ARG HA 1 31 LEU H 1.800 . 2.900 2.926 2.926 2.926 0.026 1 0 "[ ]" 7
216 1 30 ASP HA 1 31 LEU H 1.800 . 2.900 2.208 2.208 2.208 . 0 0 "[ ]" 7
217 1 30 ASP QB 1 31 LEU H 1.800 . 6.000 3.711 3.711 3.711 . 0 0 "[ ]" 7
218 1 31 LEU HA 1 32 THR H 1.800 . 5.000 2.760 2.760 2.760 . 0 0 "[ ]" 7
219 1 31 LEU QD 1 32 THR H 1.800 . 6.500 4.589 4.589 4.589 . 0 0 "[ ]" 7
220 1 31 LEU HA 1 33 GLY H 1.800 . 5.000 4.969 4.969 4.969 . 0 0 "[ ]" 7
221 1 32 THR HA 1 33 GLY H 1.800 . 5.000 3.587 3.587 3.587 . 0 0 "[ ]" 7
222 1 33 GLY H 1 34 ASP QB 1.800 . 5.000 3.763 3.763 3.763 . 0 0 "[ ]" 7
223 1 33 GLY QA 1 34 ASP H 1.800 . 2.900 2.605 2.605 2.605 . 0 0 "[ ]" 7
224 1 34 ASP H 1 34 ASP QB 1.800 . 3.500 2.081 2.081 2.081 . 0 0 "[ ]" 7
225 1 32 THR H 1 35 LEU HA 1.800 . 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 7
226 1 34 ASP HA 1 35 LEU H 1.800 . 2.900 2.524 2.524 2.524 . 0 0 "[ ]" 7
227 1 35 LEU H 1 36 GLU HA 1.800 . 5.000 4.895 4.895 4.895 . 0 0 "[ ]" 7
228 1 35 LEU HA 1 36 GLU H 1.800 . 5.000 3.499 3.499 3.499 . 0 0 "[ ]" 7
229 1 36 GLU HA 1 37 SER H 1.800 . 5.000 3.511 3.511 3.511 . 0 0 "[ ]" 7
230 1 37 SER H 1 37 SER QB 1.800 . 3.500 2.097 2.097 2.097 . 0 0 "[ ]" 7
231 1 37 SER HA 1 38 PHE H 1.800 . 5.000 3.476 3.476 3.476 . 0 0 "[ ]" 7
232 1 38 PHE HA 1 39 LYS H 1.800 . 5.000 3.588 3.588 3.588 . 0 0 "[ ]" 7
233 1 38 PHE QB 1 39 LYS H 1.800 . 5.000 2.376 2.376 2.376 . 0 0 "[ ]" 7
234 1 39 LYS HA 1 40 LYS H 1.800 . 5.000 3.451 3.451 3.451 . 0 0 "[ ]" 7
235 1 39 LYS HA 1 41 GLN H 1.800 . 5.000 4.165 4.165 4.165 . 0 0 "[ ]" 7
236 1 40 LYS HA 1 41 GLN H 1.800 . 3.500 3.511 3.511 3.511 0.011 1 0 "[ ]" 7
237 1 41 GLN H 1 41 GLN QG 1.800 . 5.000 2.164 2.164 2.164 . 0 0 "[ ]" 7
238 1 41 GLN HA 1 42 SER H 1.800 . 2.900 2.380 2.380 2.380 . 0 0 "[ ]" 7
239 1 41 GLN QB 1 42 SER H 1.800 . 3.500 2.684 2.684 2.684 . 0 0 "[ ]" 7
240 1 41 GLN QG 1 42 SER H 1.800 . 5.000 3.848 3.848 3.848 . 0 0 "[ ]" 7
241 1 42 SER H 1 42 SER QB 1.800 . 3.500 3.032 3.032 3.032 . 0 0 "[ ]" 7
242 1 42 SER HA 1 43 PHE H 1.800 . 2.900 2.687 2.687 2.687 . 0 0 "[ ]" 7
243 1 42 SER QB 1 43 PHE H 1.800 . 5.000 2.025 2.025 2.025 . 0 0 "[ ]" 7
244 1 43 PHE H 1 43 PHE QB 1.800 . 3.500 2.217 2.217 2.217 . 0 0 "[ ]" 7
245 1 43 PHE HA 1 44 VAL H 1.800 . 2.900 2.219 2.219 2.219 . 0 0 "[ ]" 7
246 1 43 PHE QB 1 44 VAL H 1.800 . 5.000 3.669 3.669 3.669 . 0 0 "[ ]" 7
247 1 44 VAL H 1 44 VAL HB 1.800 . 2.900 2.404 2.404 2.404 . 0 0 "[ ]" 7
248 1 44 VAL HA 1 45 LEU H 1.800 . 2.900 2.225 2.225 2.225 . 0 0 "[ ]" 7
249 1 46 LYS HA 1 47 GLU H 1.800 . 2.900 2.451 2.451 2.451 . 0 0 "[ ]" 7
250 1 47 GLU H 1 47 GLU QG 1.800 . 3.500 2.284 2.284 2.284 . 0 0 "[ ]" 7
251 1 47 GLU QB 1 48 GLY H 1.800 . 3.500 3.627 3.627 3.627 0.127 1 0 "[ ]" 7
252 1 48 GLY H 1 139 ILE MG 1.800 . 5.500 2.811 2.811 2.811 . 0 0 "[ ]" 7
253 1 48 GLY QA 1 49 VAL H 1.800 . 5.000 2.504 2.504 2.504 . 0 0 "[ ]" 7
254 1 49 VAL H 1 49 VAL HB 1.800 . 3.500 3.593 3.593 3.593 0.093 1 0 "[ ]" 7
255 1 49 VAL HA 1 50 GLU H 1.800 . 2.900 2.277 2.277 2.277 . 0 0 "[ ]" 7
256 1 19 VAL H 1 51 TYR HA 1.800 . 6.000 5.401 5.401 5.401 . 0 0 "[ ]" 7
257 1 50 GLU HA 1 51 TYR H 1.800 . 2.900 2.334 2.334 2.334 . 0 0 "[ ]" 7
258 1 51 TYR H 1 51 TYR QD 1.800 . 3.500 2.459 2.459 2.459 . 0 0 "[ ]" 7
259 1 51 TYR H 1 51 TYR QE 1.800 . 6.000 3.868 3.868 3.868 . 0 0 "[ ]" 7
260 1 20 CYS HA 1 52 ARG H 1.800 . 5.000 3.258 3.258 3.258 . 0 0 "[ ]" 7
261 1 51 TYR HA 1 52 ARG H 1.800 . 2.900 2.300 2.300 2.300 . 0 0 "[ ]" 7
262 1 51 TYR QB 1 52 ARG H 1.800 . 3.500 2.850 2.850 2.850 . 0 0 "[ ]" 7
263 1 52 ARG H 1 52 ARG QD 1.800 . 5.000 4.353 4.353 4.353 . 0 0 "[ ]" 7
264 1 17 THR H 1 53 ILE HA 1.800 . 6.000 4.933 4.933 4.933 . 0 0 "[ ]" 7
265 1 19 VAL H 1 53 ILE HA 1.800 . 5.000 3.776 3.776 3.776 . 0 0 "[ ]" 7
266 1 52 ARG HA 1 53 ILE H 1.800 . 2.900 2.478 2.478 2.478 . 0 0 "[ ]" 7
267 1 17 THR HB 1 54 LYS H 1.800 . 5.000 3.030 3.030 3.030 . 0 0 "[ ]" 7
268 1 18 LEU HA 1 54 LYS H 1.800 . 5.000 3.443 3.443 3.443 . 0 0 "[ ]" 7
269 1 53 ILE HA 1 54 LYS H 1.800 . 2.900 2.203 2.203 2.203 . 0 0 "[ ]" 7
270 1 17 THR H 1 55 ILE HA 1.800 . 3.500 3.574 3.574 3.574 0.074 1 0 "[ ]" 7
271 1 54 LYS HA 1 55 ILE H 1.800 . 2.900 2.257 2.257 2.257 . 0 0 "[ ]" 7
272 1 55 ILE H 1 55 ILE HB 1.800 . 3.500 2.303 2.303 2.303 . 0 0 "[ ]" 7
273 1 55 ILE H 1 55 ILE QG 1.800 . 2.900 2.410 2.410 2.410 . 0 0 "[ ]" 7
274 1 55 ILE H 1 55 ILE MG 1.800 . 5.500 3.725 3.725 3.725 . 0 0 "[ ]" 7
275 1 14 THR H 1 56 SER QB 1.800 . 6.000 3.716 3.716 3.716 . 0 0 "[ ]" 7
276 1 15 ARG H 1 56 SER QB 1.800 . 3.500 2.235 2.235 2.235 . 0 0 "[ ]" 7
277 1 16 LEU HA 1 56 SER H 1.800 . 5.000 3.491 3.491 3.491 . 0 0 "[ ]" 7
278 1 55 ILE HA 1 56 SER H 1.800 . 2.900 2.222 2.222 2.222 . 0 0 "[ ]" 7
279 1 14 THR H 1 57 PHE HA 1.800 . 2.900 1.914 1.914 1.914 . 0 0 "[ ]" 7
280 1 14 THR H 1 57 PHE QB 1.800 . 5.000 2.983 2.983 2.983 . 0 0 "[ ]" 7
281 1 15 ARG H 1 57 PHE HA 1.800 . 5.000 4.206 4.206 4.206 . 0 0 "[ ]" 7
282 1 56 SER HA 1 57 PHE H 1.800 . 2.900 2.284 2.284 2.284 . 0 0 "[ ]" 7
283 1 56 SER QB 1 57 PHE H 1.800 . 3.500 3.096 3.096 3.096 . 0 0 "[ ]" 7
284 1 57 PHE H 1 57 PHE QD 1.800 . 3.500 2.666 2.666 2.666 . 0 0 "[ ]" 7
285 1 13 VAL HA 1 58 ARG H 1.800 . 5.000 4.865 4.865 4.865 . 0 0 "[ ]" 7
286 1 14 THR MG 1 58 ARG H 1.800 . 5.500 1.841 1.841 1.841 . 0 0 "[ ]" 7
287 1 57 PHE HA 1 58 ARG H 1.800 . 2.900 2.181 2.181 2.181 . 0 0 "[ ]" 7
288 1 57 PHE QB 1 58 ARG H 1.800 . 5.000 3.138 3.138 3.138 . 0 0 "[ ]" 7
289 1 57 PHE QD 1 58 ARG H 1.800 . 5.000 4.324 4.324 4.324 . 0 0 "[ ]" 7
290 1 58 ARG QB 1 58 ARG HE 1.800 . 5.000 2.299 2.299 2.299 . 0 0 "[ ]" 7
291 1 58 ARG HA 1 59 VAL H 1.800 . 2.900 2.252 2.252 2.252 . 0 0 "[ ]" 7
292 1 59 VAL H 1 59 VAL HA 1.800 . 2.900 2.988 2.988 2.988 0.088 1 0 "[ ]" 7
293 1 59 VAL H 1 59 VAL QG 1.800 . 4.000 2.668 2.668 2.668 . 0 0 "[ ]" 7
294 1 10 ASN HA 1 60 ASN H 1.800 . 3.500 3.342 3.342 3.342 . 0 0 "[ ]" 7
295 1 11 VAL HA 1 60 ASN H 1.800 . 5.000 4.638 4.638 4.638 . 0 0 "[ ]" 7
296 1 59 VAL HA 1 60 ASN H 1.800 . 2.900 2.348 2.348 2.348 . 0 0 "[ ]" 7
297 1 60 ASN H 1 60 ASN QB 1.800 . 3.500 2.420 2.420 2.420 . 0 0 "[ ]" 7
298 1 60 ASN HA 1 61 ARG H 1.800 . 5.000 2.792 2.792 2.792 . 0 0 "[ ]" 7
299 1 60 ASN QB 1 61 ARG H 1.800 . 5.000 3.899 3.899 3.899 . 0 0 "[ ]" 7
300 1 61 ARG H 1 61 ARG HA 1.800 . 2.900 2.962 2.962 2.962 0.062 1 0 "[ ]" 7
301 1 61 ARG H 1 61 ARG QB 1.800 . 2.900 2.642 2.642 2.642 . 0 0 "[ ]" 7
302 1 61 ARG H 1 61 ARG QD 1.800 . 6.000 4.869 4.869 4.869 . 0 0 "[ ]" 7
303 1 61 ARG HA 1 62 GLU H 1.800 . 5.000 3.589 3.589 3.589 . 0 0 "[ ]" 7
304 1 62 GLU HA 1 63 ILE H 1.800 . 2.900 2.428 2.428 2.428 . 0 0 "[ ]" 7
305 1 63 ILE HA 1 64 VAL H 1.800 . 2.900 2.215 2.215 2.215 . 0 0 "[ ]" 7
306 1 64 VAL HA 1 65 SER H 1.800 . 2.900 2.345 2.345 2.345 . 0 0 "[ ]" 7
307 1 64 VAL HB 1 65 SER H 1.800 . 5.000 4.495 4.495 4.495 . 0 0 "[ ]" 7
308 1 65 SER H 1 65 SER QB 1.800 . 3.500 2.502 2.502 2.502 . 0 0 "[ ]" 7
309 1 65 SER HA 1 66 GLY H 1.800 . 2.900 2.245 2.245 2.245 . 0 0 "[ ]" 7
310 1 65 SER HA 1 67 MET H 1.800 . 5.000 4.140 4.140 4.140 . 0 0 "[ ]" 7
311 1 66 GLY QA 1 67 MET H 1.800 . 5.000 2.709 2.709 2.709 . 0 0 "[ ]" 7
312 1 67 MET H 1 67 MET QG 1.800 . 5.000 3.867 3.867 3.867 . 0 0 "[ ]" 7
313 1 67 MET HA 1 68 LYS H 1.800 . 2.900 2.275 2.275 2.275 . 0 0 "[ ]" 7
314 1 68 LYS HA 1 69 TYR H 1.800 . 2.900 2.276 2.276 2.276 . 0 0 "[ ]" 7
315 1 69 TYR HA 1 70 ILE H 1.800 . 2.900 2.264 2.264 2.264 . 0 0 "[ ]" 7
316 1 70 ILE HA 1 71 GLN H 1.800 . 2.900 2.434 2.434 2.434 . 0 0 "[ ]" 7
317 1 71 GLN HA 1 72 HIS H 1.800 . 2.900 2.234 2.234 2.234 . 0 0 "[ ]" 7
318 1 71 GLN QB 1 72 HIS H 1.800 . 5.000 3.925 3.925 3.925 . 0 0 "[ ]" 7
319 1 72 HIS H 1 72 HIS HD2 1.800 . 5.000 2.197 2.197 2.197 . 0 0 "[ ]" 7
320 1 72 HIS H 1 73 THR HA 1.800 . 5.000 5.054 5.054 5.054 0.054 1 0 "[ ]" 7
321 1 72 HIS HA 1 73 THR H 1.800 . 2.900 2.204 2.204 2.204 . 0 0 "[ ]" 7
322 1 72 HIS QB 1 73 THR H 1.800 . 5.000 3.430 3.430 3.430 . 0 0 "[ ]" 7
323 1 73 THR H 1 73 THR HB 1.800 . 2.900 2.573 2.573 2.573 . 0 0 "[ ]" 7
324 1 73 THR HA 1 74 TYR H 1.800 . 2.900 2.368 2.368 2.368 . 0 0 "[ ]" 7
325 1 74 TYR H 1 74 TYR QB 1.800 . 3.500 1.997 1.997 1.997 . 0 0 "[ ]" 7
326 1 74 TYR HA 1 75 ARG H 1.800 . 2.900 2.216 2.216 2.216 . 0 0 "[ ]" 7
327 1 74 TYR QB 1 75 ARG H 1.800 . 5.000 3.383 3.383 3.383 . 0 0 "[ ]" 7
328 1 75 ARG HA 1 76 LYS H 1.800 . 2.900 2.210 2.210 2.210 . 0 0 "[ ]" 7
329 1 76 LYS H 1 76 LYS HA 1.800 . 2.900 2.363 2.363 2.363 . 0 0 "[ ]" 7
330 1 76 LYS HA 1 77 GLY H 1.800 . 2.900 2.909 2.909 2.909 0.009 1 0 "[ ]" 7
331 1 76 LYS QB 1 77 GLY H 1.800 . 5.000 3.821 3.821 3.821 . 0 0 "[ ]" 7
332 1 76 LYS QD 1 77 GLY H 1.800 . 5.000 4.990 4.990 4.990 . 0 0 "[ ]" 7
333 1 74 TYR HA 1 78 VAL H 1.800 . 5.000 3.712 3.712 3.712 . 0 0 "[ ]" 7
334 1 74 TYR QD 1 78 VAL H 1.800 . 5.000 2.858 2.858 2.858 . 0 0 "[ ]" 7
335 1 75 ARG HA 1 78 VAL H 1.800 . 5.000 4.219 4.219 4.219 . 0 0 "[ ]" 7
336 1 76 LYS HA 1 78 VAL H 1.800 . 5.000 4.744 4.744 4.744 . 0 0 "[ ]" 7
337 1 77 GLY QA 1 78 VAL H 1.800 . 5.000 2.785 2.785 2.785 . 0 0 "[ ]" 7
338 1 74 TYR QD 1 79 LYS H 1.800 . 5.000 3.740 3.740 3.740 . 0 0 "[ ]" 7
339 1 75 ARG H 1 79 LYS HA 1.800 . 5.000 3.371 3.371 3.371 . 0 0 "[ ]" 7
340 1 78 VAL HA 1 79 LYS H 1.800 . 2.900 2.222 2.222 2.222 . 0 0 "[ ]" 7
341 1 74 TYR HA 1 80 ILE H 1.800 . 3.500 3.180 3.180 3.180 . 0 0 "[ ]" 7
342 1 79 LYS HA 1 80 ILE H 1.800 . 2.900 2.215 2.215 2.215 . 0 0 "[ ]" 7
343 1 73 THR HA 1 81 ASP H 1.800 . 5.000 5.020 5.020 5.020 0.020 1 0 "[ ]" 7
344 1 73 THR HB 1 81 ASP H 1.800 . 5.000 2.694 2.694 2.694 . 0 0 "[ ]" 7
345 1 79 LYS HA 1 81 ASP H 1.800 . 5.000 3.760 3.760 3.760 . 0 0 "[ ]" 7
346 1 80 ILE HA 1 81 ASP H 1.800 . 5.000 3.504 3.504 3.504 . 0 0 "[ ]" 7
347 1 80 ILE HB 1 81 ASP H 1.800 . 5.000 3.991 3.991 3.991 . 0 0 "[ ]" 7
348 1 72 HIS HA 1 82 LYS H 1.800 . 5.000 4.437 4.437 4.437 . 0 0 "[ ]" 7
349 1 73 THR H 1 82 LYS HA 1.800 . 3.500 2.976 2.976 2.976 . 0 0 "[ ]" 7
350 1 81 ASP HA 1 82 LYS H 1.800 . 3.500 2.219 2.219 2.219 . 0 0 "[ ]" 7
351 1 81 ASP QB 1 82 LYS H 1.800 . 5.000 3.689 3.689 3.689 . 0 0 "[ ]" 7
352 1 82 LYS H 1 82 LYS QB 1.800 . 3.500 3.045 3.045 3.045 . 0 0 "[ ]" 7
353 1 70 ILE HA 1 83 THR H 1.800 . 5.000 4.426 4.426 4.426 . 0 0 "[ ]" 7
354 1 72 HIS HA 1 83 THR H 1.800 . 5.000 3.886 3.886 3.886 . 0 0 "[ ]" 7
355 1 72 HIS HD2 1 83 THR H 1.800 . 5.000 4.959 4.959 4.959 . 0 0 "[ ]" 7
356 1 82 LYS HA 1 83 THR H 1.800 . 2.900 2.282 2.282 2.282 . 0 0 "[ ]" 7
357 1 83 THR H 1 83 THR HB 1.800 . 3.500 2.721 2.721 2.721 . 0 0 "[ ]" 7
358 1 71 GLN H 1 84 ASP HA 1.800 . 5.000 3.878 3.878 3.878 . 0 0 "[ ]" 7
359 1 83 THR HA 1 84 ASP H 1.800 . 2.900 2.451 2.451 2.451 . 0 0 "[ ]" 7
360 1 83 THR HB 1 84 ASP H 1.800 . 5.000 3.564 3.564 3.564 . 0 0 "[ ]" 7
361 1 84 ASP H 1 84 ASP QB 1.800 . 3.500 2.866 2.866 2.866 . 0 0 "[ ]" 7
362 1 70 ILE HA 1 85 TYR H 1.800 . 5.000 2.844 2.844 2.844 . 0 0 "[ ]" 7
363 1 84 ASP HA 1 85 TYR H 1.800 . 2.900 2.222 2.222 2.222 . 0 0 "[ ]" 7
364 1 85 TYR H 1 85 TYR QD 1.800 . 3.500 2.616 2.616 2.616 . 0 0 "[ ]" 7
365 1 67 MET H 1 86 MET HA 1.800 . 6.000 6.008 6.008 6.008 0.008 1 0 "[ ]" 7
366 1 69 TYR H 1 86 MET HA 1.800 . 5.000 3.485 3.485 3.485 . 0 0 "[ ]" 7
367 1 85 TYR HA 1 86 MET H 1.800 . 2.900 2.242 2.242 2.242 . 0 0 "[ ]" 7
368 1 85 TYR QB 1 86 MET H 1.800 . 5.000 3.695 3.695 3.695 . 0 0 "[ ]" 7
369 1 86 MET H 1 86 MET QG 1.800 . 6.000 3.822 3.822 3.822 . 0 0 "[ ]" 7
370 1 68 LYS HA 1 87 VAL H 1.800 . 2.900 2.353 2.353 2.353 . 0 0 "[ ]" 7
371 1 69 TYR H 1 87 VAL QG 1.800 . 4.000 2.802 2.802 2.802 . 0 0 "[ ]" 7
372 1 86 MET HA 1 87 VAL H 1.800 . 2.900 2.217 2.217 2.217 . 0 0 "[ ]" 7
373 1 87 VAL H 1 87 VAL QG 1.800 . 3.400 2.084 2.084 2.084 . 0 0 "[ ]" 7
374 1 86 MET HA 1 88 GLY H 1.800 . 5.000 4.542 4.542 4.542 . 0 0 "[ ]" 7
375 1 66 GLY H 1 89 SER HA 1.800 . 3.500 2.351 2.351 2.351 . 0 0 "[ ]" 7
376 1 67 MET H 1 89 SER HA 1.800 . 5.000 3.231 3.231 3.231 . 0 0 "[ ]" 7
377 1 88 GLY QA 1 89 SER H 1.800 . 2.900 2.311 2.311 2.311 . 0 0 "[ ]" 7
378 1 89 SER H 1 89 SER QB 1.800 . 2.900 2.528 2.528 2.528 . 0 0 "[ ]" 7
379 1 64 VAL QG 1 90 TYR H 1.800 . 5.500 4.110 4.110 4.110 . 0 0 "[ ]" 7
380 1 65 SER HA 1 90 TYR H 1.800 . 5.000 3.369 3.369 3.369 . 0 0 "[ ]" 7
381 1 89 SER HA 1 90 TYR H 1.800 . 2.900 2.310 2.310 2.310 . 0 0 "[ ]" 7
382 1 89 SER QB 1 90 TYR H 1.800 . 5.000 2.916 2.916 2.916 . 0 0 "[ ]" 7
383 1 64 VAL H 1 91 GLY QA 1.800 . 5.000 3.554 3.554 3.554 . 0 0 "[ ]" 7
384 1 90 TYR HA 1 91 GLY H 1.800 . 2.900 2.202 2.202 2.202 . 0 0 "[ ]" 7
385 1 92 PRO HA 1 93 ARG H 1.800 . 2.900 2.257 2.257 2.257 . 0 0 "[ ]" 7
386 1 94 ALA H 1 94 ALA MB 1.800 . 3.400 2.379 2.379 2.379 . 0 0 "[ ]" 7
387 1 94 ALA HA 1 95 GLU H 1.800 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 7
388 1 94 ALA MB 1 95 GLU H 1.800 . 3.400 2.081 2.081 2.081 . 0 0 "[ ]" 7
389 1 95 GLU H 1 95 GLU QG 1.800 . 5.000 2.937 2.937 2.937 . 0 0 "[ ]" 7
390 1 57 PHE H 1 96 GLU HA 1.800 . 5.000 4.100 4.100 4.100 . 0 0 "[ ]" 7
391 1 58 ARG HA 1 96 GLU H 1.800 . 6.000 3.429 3.429 3.429 . 0 0 "[ ]" 7
392 1 58 ARG QD 1 96 GLU H 1.800 . 6.000 3.960 3.960 3.960 . 0 0 "[ ]" 7
393 1 59 VAL H 1 96 GLU HA 1.800 . 5.000 2.771 2.771 2.771 . 0 0 "[ ]" 7
394 1 95 GLU HA 1 96 GLU H 1.800 . 2.900 3.022 3.022 3.022 0.122 1 0 "[ ]" 7
395 1 96 GLU HA 1 97 TYR H 1.800 . 2.900 2.623 2.623 2.623 . 0 0 "[ ]" 7
396 1 56 SER HA 1 98 GLU H 1.800 . 5.000 5.038 5.038 5.038 0.038 1 0 "[ ]" 7
397 1 57 PHE H 1 98 GLU HA 1.800 . 5.000 4.583 4.583 4.583 . 0 0 "[ ]" 7
398 1 97 TYR HA 1 98 GLU H 1.800 . 2.900 2.515 2.515 2.515 . 0 0 "[ ]" 7
399 1 54 LYS HA 1 99 PHE H 1.800 . 5.000 4.613 4.613 4.613 . 0 0 "[ ]" 7
400 1 56 SER HA 1 99 PHE H 1.800 . 5.000 3.444 3.444 3.444 . 0 0 "[ ]" 7
401 1 98 GLU HA 1 99 PHE H 1.800 . 2.900 2.283 2.283 2.283 . 0 0 "[ ]" 7
402 1 54 LYS HA 1 100 LEU H 1.800 . 6.000 4.655 4.655 4.655 . 0 0 "[ ]" 7
403 1 55 ILE H 1 100 LEU HA 1.800 . 5.000 3.839 3.839 3.839 . 0 0 "[ ]" 7
404 1 99 PHE HA 1 100 LEU H 1.800 . 2.900 2.443 2.443 2.443 . 0 0 "[ ]" 7
405 1 52 ARG HA 1 101 THR H 1.800 . 6.000 4.618 4.618 4.618 . 0 0 "[ ]" 7
406 1 53 ILE H 1 101 THR HA 1.800 . 6.000 4.472 4.472 4.472 . 0 0 "[ ]" 7
407 1 54 LYS HA 1 101 THR H 1.800 . 5.000 3.742 3.742 3.742 . 0 0 "[ ]" 7
408 1 100 LEU HA 1 101 THR H 1.800 . 2.900 2.201 2.201 2.201 . 0 0 "[ ]" 7
409 1 52 ARG QD 1 103 MET H 1.800 . 5.000 3.619 3.619 3.619 . 0 0 "[ ]" 7
410 1 102 PRO HA 1 103 MET H 1.800 . 2.900 2.466 2.466 2.466 . 0 0 "[ ]" 7
411 1 102 PRO QD 1 103 MET H 1.800 . 6.000 4.961 4.961 4.961 . 0 0 "[ ]" 7
412 1 103 MET H 1 103 MET QB 1.800 . 2.900 2.407 2.407 2.407 . 0 0 "[ ]" 7
413 1 103 MET H 1 103 MET QG 1.800 . 3.500 1.988 1.988 1.988 . 0 0 "[ ]" 7
414 1 50 GLU HA 1 104 GLU H 1.800 . 5.000 3.974 3.974 3.974 . 0 0 "[ ]" 7
415 1 52 ARG HA 1 104 GLU H 1.800 . 5.000 3.171 3.171 3.171 . 0 0 "[ ]" 7
416 1 103 MET HA 1 104 GLU H 1.800 . 2.900 2.199 2.199 2.199 . 0 0 "[ ]" 7
417 1 103 MET QG 1 104 GLU H 1.800 . 5.000 4.244 4.244 4.244 . 0 0 "[ ]" 7
418 1 104 GLU H 1 104 GLU QG 1.800 . 6.000 3.974 3.974 3.974 . 0 0 "[ ]" 7
419 1 50 GLU HA 1 105 GLU H 1.800 . 5.000 3.653 3.653 3.653 . 0 0 "[ ]" 7
420 1 51 TYR H 1 105 GLU HA 1.800 . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 7
421 1 51 TYR H 1 105 GLU QB 1.800 . 6.000 5.018 5.018 5.018 . 0 0 "[ ]" 7
422 1 104 GLU HA 1 105 GLU H 1.800 . 2.900 2.227 2.227 2.227 . 0 0 "[ ]" 7
423 1 49 VAL MG2 1 106 ALA H 1.800 . 5.500 2.982 2.982 2.982 . 0 0 "[ ]" 7
424 1 50 GLU HA 1 106 ALA H 1.800 . 5.000 4.150 4.150 4.150 . 0 0 "[ ]" 7
425 1 51 TYR QD 1 106 ALA H 1.800 . 3.500 3.506 3.506 3.506 0.006 1 0 "[ ]" 7
426 1 105 GLU HA 1 106 ALA H 1.800 . 2.900 2.185 2.185 2.185 . 0 0 "[ ]" 7
427 1 105 GLU QB 1 106 ALA H 1.800 . 3.500 3.291 3.291 3.291 . 0 0 "[ ]" 7
428 1 105 GLU QG 1 106 ALA H 1.800 . 5.000 4.148 4.148 4.148 . 0 0 "[ ]" 7
429 1 106 ALA H 1 106 ALA MB 1.800 . 3.400 1.992 1.992 1.992 . 0 0 "[ ]" 7
430 1 48 GLY QA 1 106 ALA H 1.800 . 5.000 2.468 2.468 2.468 . 0 0 "[ ]" 7
431 1 107 PRO HA 1 108 LYS H 1.800 . 2.900 2.216 2.216 2.216 . 0 0 "[ ]" 7
432 1 107 PRO QB 1 108 LYS H 1.800 . 3.500 3.401 3.401 3.401 . 0 0 "[ ]" 7
433 1 107 PRO QD 1 108 LYS H 1.800 . 6.000 4.946 4.946 4.946 . 0 0 "[ ]" 7
434 1 108 LYS H 1 108 LYS QE 1.800 . 5.000 3.941 3.941 3.941 . 0 0 "[ ]" 7
435 1 47 GLU QB 1 109 GLY H 1.800 . 3.500 2.787 2.787 2.787 . 0 0 "[ ]" 7
436 1 47 GLU QG 1 109 GLY H 1.800 . 5.000 3.120 3.120 3.120 . 0 0 "[ ]" 7
437 1 109 GLY H 1 139 ILE MG 1.800 . 6.500 4.639 4.639 4.639 . 0 0 "[ ]" 7
438 1 108 LYS HA 1 109 GLY H 1.800 . 2.900 2.510 2.510 2.510 . 0 0 "[ ]" 7
439 1 109 GLY H 1 110 MET HA 1.800 . 5.000 4.896 4.896 4.896 . 0 0 "[ ]" 7
440 1 108 LYS QB 1 109 GLY H 1.800 . 2.700 2.392 2.392 2.392 . 0 0 "[ ]" 7
441 1 108 LYS QG 1 109 GLY H 1.800 . 5.000 3.554 3.554 3.554 . 0 0 "[ ]" 7
442 1 110 MET H 1 110 MET QB 1.800 . 3.500 2.174 2.174 2.174 . 0 0 "[ ]" 7
443 1 110 MET QB 1 111 LEU H 1.800 . 2.900 2.490 2.490 2.490 . 0 0 "[ ]" 7
444 1 111 LEU H 1 111 LEU QB 1.800 . 2.900 2.153 2.153 2.153 . 0 0 "[ ]" 7
445 1 111 LEU H 1 111 LEU QD 1.800 . 4.000 3.694 3.694 3.694 . 0 0 "[ ]" 7
446 1 110 MET HA 1 112 ALA H 1.800 . 5.000 4.357 4.357 4.357 . 0 0 "[ ]" 7
447 1 111 LEU HA 1 112 ALA H 1.800 . 3.500 3.507 3.507 3.507 0.007 1 0 "[ ]" 7
448 1 110 MET HA 1 113 ARG H 1.800 . 5.000 4.200 4.200 4.200 . 0 0 "[ ]" 7
449 1 112 ALA HA 1 113 ARG H 1.800 . 5.000 3.501 3.501 3.501 . 0 0 "[ ]" 7
450 1 113 ARG H 1 113 ARG QD 1.800 . 6.000 3.335 3.335 3.335 . 0 0 "[ ]" 7
451 1 113 ARG HA 1 114 GLY H 1.800 . 2.900 2.215 2.215 2.215 . 0 0 "[ ]" 7
452 1 113 ARG QB 1 114 GLY H 1.800 . 5.000 3.389 3.389 3.389 . 0 0 "[ ]" 7
453 1 114 GLY QA 1 115 SER H 1.800 . 2.900 2.320 2.320 2.320 . 0 0 "[ ]" 7
454 1 115 SER H 1 115 SER QB 1.800 . 2.900 2.716 2.716 2.716 . 0 0 "[ ]" 7
455 1 115 SER HA 1 116 TYR H 1.800 . 2.900 2.233 2.233 2.233 . 0 0 "[ ]" 7
456 1 115 SER QB 1 116 TYR H 1.800 . 5.000 3.147 3.147 3.147 . 0 0 "[ ]" 7
457 1 116 TYR H 1 116 TYR HD1 1.800 . 2.900 2.706 2.706 2.706 . 0 0 "[ ]" 7
458 1 74 TYR QB 1 117 ASN H 1.800 . 5.000 4.055 4.055 4.055 . 0 0 "[ ]" 7
459 1 75 ARG HA 1 117 ASN H 1.800 . 5.000 3.329 3.329 3.329 . 0 0 "[ ]" 7
460 1 116 TYR HA 1 117 ASN H 1.800 . 2.900 2.262 2.262 2.262 . 0 0 "[ ]" 7
461 1 116 TYR QB 1 117 ASN H 1.800 . 5.000 3.711 3.711 3.711 . 0 0 "[ ]" 7
462 1 117 ASN H 1 117 ASN QB 1.800 . 3.500 2.086 2.086 2.086 . 0 0 "[ ]" 7
463 1 72 HIS H 1 118 ILE MG 1.800 . 5.500 3.014 3.014 3.014 . 0 0 "[ ]" 7
464 1 74 TYR H 1 118 ILE HA 1.800 . 3.500 2.179 2.179 2.179 . 0 0 "[ ]" 7
465 1 117 ASN HA 1 118 ILE H 1.800 . 2.900 2.237 2.237 2.237 . 0 0 "[ ]" 7
466 1 117 ASN QB 1 118 ILE H 1.800 . 5.000 3.743 3.743 3.743 . 0 0 "[ ]" 7
467 1 71 GLN HA 1 119 LYS H 1.800 . 5.000 4.006 4.006 4.006 . 0 0 "[ ]" 7
468 1 73 THR HA 1 119 LYS H 1.800 . 5.000 3.959 3.959 3.959 . 0 0 "[ ]" 7
469 1 118 ILE HA 1 119 LYS H 1.800 . 2.900 2.299 2.299 2.299 . 0 0 "[ ]" 7
470 1 72 HIS H 1 120 SER HA 1.800 . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 7
471 1 69 TYR HA 1 121 ARG H 1.800 . 5.000 5.005 5.005 5.005 0.005 1 0 "[ ]" 7
472 1 120 SER HA 1 121 ARG H 1.800 . 2.700 2.202 2.202 2.202 . 0 0 "[ ]" 7
473 1 120 SER QB 1 121 ARG H 1.800 . 5.000 3.377 3.377 3.377 . 0 0 "[ ]" 7
474 1 121 ARG H 1 121 ARG QB 1.800 . 3.500 2.378 2.378 2.378 . 0 0 "[ ]" 7
475 1 68 LYS H 1 122 PHE HA 1.800 . 6.000 4.930 4.930 4.930 . 0 0 "[ ]" 7
476 1 70 ILE H 1 122 PHE HA 1.800 . 5.000 3.676 3.676 3.676 . 0 0 "[ ]" 7
477 1 121 ARG H 1 122 PHE HA 1.800 . 5.000 4.873 4.873 4.873 . 0 0 "[ ]" 7
478 1 121 ARG HA 1 122 PHE H 1.800 . 2.900 2.214 2.214 2.214 . 0 0 "[ ]" 7
479 1 67 MET HA 1 123 THR H 1.800 . 6.000 5.453 5.453 5.453 . 0 0 "[ ]" 7
480 1 69 TYR HA 1 123 THR H 1.800 . 5.000 3.763 3.763 3.763 . 0 0 "[ ]" 7
481 1 122 PHE HA 1 123 THR H 1.800 . 2.900 2.249 2.249 2.249 . 0 0 "[ ]" 7
482 1 122 PHE QB 1 123 THR H 1.800 . 5.000 3.928 3.928 3.928 . 0 0 "[ ]" 7
483 1 67 MET H 1 124 ASP HA 1.800 . 5.000 4.421 4.421 4.421 . 0 0 "[ ]" 7
484 1 68 LYS H 1 124 ASP HA 1.800 . 3.500 2.636 2.636 2.636 . 0 0 "[ ]" 7
485 1 123 THR HA 1 124 ASP H 1.800 . 5.000 2.668 2.668 2.668 . 0 0 "[ ]" 7
486 1 123 THR HB 1 124 ASP H 1.800 . 3.500 3.564 3.564 3.564 0.064 1 0 "[ ]" 7
487 1 123 THR MG 1 124 ASP H 1.800 . 4.000 3.106 3.106 3.106 . 0 0 "[ ]" 7
488 1 66 GLY QA 1 125 ASP H 1.800 . 5.000 3.052 3.052 3.052 . 0 0 "[ ]" 7
489 1 124 ASP HA 1 125 ASP H 1.800 . 3.500 2.969 2.969 2.969 . 0 0 "[ ]" 7
490 1 124 ASP HB2 1 125 ASP H 1.800 . 2.900 1.953 1.953 1.953 . 0 0 "[ ]" 7
491 1 125 ASP H 1 125 ASP QB 1.800 . 3.500 1.967 1.967 1.967 . 0 0 "[ ]" 7
492 1 124 ASP HA 1 126 ASP H 1.800 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 7
493 1 124 ASP QB 1 126 ASP H 1.800 . 5.000 3.718 3.718 3.718 . 0 0 "[ ]" 7
494 1 125 ASP HA 1 126 ASP H 1.800 . 5.000 3.518 3.518 3.518 . 0 0 "[ ]" 7
495 1 125 ASP HA 1 127 ARG H 1.800 . 5.000 5.215 5.215 5.215 0.215 1 0 "[ ]" 7
496 1 126 ASP H 1 127 ARG HA 1.800 . 5.000 4.423 4.423 4.423 . 0 0 "[ ]" 7
497 1 126 ASP HA 1 127 ARG H 1.800 . 3.500 3.481 3.481 3.481 . 0 0 "[ ]" 7
498 1 126 ASP QB 1 127 ARG H 1.800 . 5.000 3.075 3.075 3.075 . 0 0 "[ ]" 7
499 1 127 ARG H 1 127 ARG HA 1.800 . 2.900 2.769 2.769 2.769 . 0 0 "[ ]" 7
500 1 127 ARG H 1 127 ARG QD 1.800 . 5.000 4.378 4.378 4.378 . 0 0 "[ ]" 7
501 1 127 ARG H 1 127 ARG QG 1.800 . 3.500 2.854 2.854 2.854 . 0 0 "[ ]" 7
502 1 123 THR HA 1 128 THR H 1.800 . 6.000 5.291 5.291 5.291 . 0 0 "[ ]" 7
503 1 126 ASP QB 1 128 THR H 1.800 . 5.000 5.113 5.113 5.113 0.113 1 0 "[ ]" 7
504 1 127 ARG HA 1 128 THR H 1.800 . 3.500 3.575 3.575 3.575 0.075 1 0 "[ ]" 7
505 1 128 THR H 1 128 THR HB 1.800 . 3.500 3.499 3.499 3.499 . 0 0 "[ ]" 7
506 1 128 THR HA 1 129 ASP H 1.800 . 2.900 2.738 2.738 2.738 . 0 0 "[ ]" 7
507 1 128 THR MG 1 129 ASP H 1.800 . 3.400 2.824 2.824 2.824 . 0 0 "[ ]" 7
508 1 129 ASP H 1 129 ASP QB 1.800 . 3.500 2.365 2.365 2.365 . 0 0 "[ ]" 7
509 1 123 THR HA 1 130 HIS H 1.800 . 3.500 1.974 1.974 1.974 . 0 0 "[ ]" 7
510 1 123 THR HB 1 130 HIS H 1.800 . 5.000 3.758 3.758 3.758 . 0 0 "[ ]" 7
511 1 129 ASP HA 1 130 HIS H 1.800 . 2.900 2.215 2.215 2.215 . 0 0 "[ ]" 7
512 1 129 ASP QB 1 130 HIS H 1.800 . 5.000 3.387 3.387 3.387 . 0 0 "[ ]" 7
513 1 130 HIS H 1 130 HIS QB 1.800 . 3.500 2.260 2.260 2.260 . 0 0 "[ ]" 7
514 1 130 HIS H 1 130 HIS HD2 1.800 . 5.000 3.435 3.435 3.435 . 0 0 "[ ]" 7
515 1 121 ARG HA 1 131 LEU H 1.800 . 5.000 5.050 5.050 5.050 0.050 1 0 "[ ]" 7
516 1 122 PHE QB 1 131 LEU H 1.800 . 5.000 2.019 2.019 2.019 . 0 0 "[ ]" 7
517 1 123 THR HA 1 131 LEU H 1.800 . 6.000 4.210 4.210 4.210 . 0 0 "[ ]" 7
518 1 129 ASP HA 1 131 LEU H 1.800 . 5.000 4.414 4.414 4.414 . 0 0 "[ ]" 7
519 1 129 ASP QB 1 131 LEU H 1.800 . 5.000 3.898 3.898 3.898 . 0 0 "[ ]" 7
520 1 122 PHE H 1 132 SER HA 1.800 . 5.000 2.714 2.714 2.714 . 0 0 "[ ]" 7
521 1 122 PHE H 1 132 SER QB 1.800 . 6.000 2.996 2.996 2.996 . 0 0 "[ ]" 7
522 1 131 LEU HA 1 132 SER H 1.800 . 2.900 2.334 2.334 2.334 . 0 0 "[ ]" 7
523 1 132 SER H 1 132 SER QB 1.800 . 3.500 3.132 3.132 3.132 . 0 0 "[ ]" 7
524 1 119 LYS HA 1 133 TRP H 1.800 . 5.000 4.971 4.971 4.971 . 0 0 "[ ]" 7
525 1 121 ARG HA 1 133 TRP H 1.800 . 5.000 4.076 4.076 4.076 . 0 0 "[ ]" 7
526 1 132 SER HA 1 133 TRP H 1.800 . 2.900 2.265 2.265 2.265 . 0 0 "[ ]" 7
527 1 132 SER QB 1 133 TRP H 1.800 . 5.000 3.065 3.065 3.065 . 0 0 "[ ]" 7
528 1 120 SER H 1 134 GLU HA 1.800 . 5.000 3.408 3.408 3.408 . 0 0 "[ ]" 7
529 1 133 TRP HA 1 134 GLU H 1.800 . 2.900 2.797 2.797 2.797 . 0 0 "[ ]" 7
530 1 133 TRP QB 1 134 GLU H 1.800 . 2.900 2.027 2.027 2.027 . 0 0 "[ ]" 7
531 1 117 ASN HA 1 135 TRP H 1.800 . 5.000 4.523 4.523 4.523 . 0 0 "[ ]" 7
532 1 118 ILE HB 1 135 TRP HE1 1.800 . 5.000 3.430 3.430 3.430 . 0 0 "[ ]" 7
533 1 118 ILE MD 1 135 TRP HE1 1.800 . 5.500 4.022 4.022 4.022 . 0 0 "[ ]" 7
534 1 118 ILE MG 1 135 TRP HE1 1.800 . 3.400 3.330 3.330 3.330 . 0 0 "[ ]" 7
535 1 119 LYS HA 1 135 TRP H 1.800 . 5.000 4.444 4.444 4.444 . 0 0 "[ ]" 7
536 1 133 TRP HZ2 1 135 TRP HE1 1.800 . 3.500 3.554 3.554 3.554 0.054 1 0 "[ ]" 7
537 1 134 GLU HA 1 135 TRP HE1 1.800 . 5.000 4.598 4.598 4.598 . 0 0 "[ ]" 7
538 1 134 GLU HA 1 135 TRP H 1.800 . 2.900 2.197 2.197 2.197 . 0 0 "[ ]" 7
539 1 42 SER HA 1 136 ASN H 1.800 . 5.000 2.993 2.993 2.993 . 0 0 "[ ]" 7
540 1 42 SER QB 1 136 ASN H 1.800 . 5.000 3.706 3.706 3.706 . 0 0 "[ ]" 7
541 1 116 TYR H 1 136 ASN HA 1.800 . 5.000 3.626 3.626 3.626 . 0 0 "[ ]" 7
542 1 118 ILE H 1 136 ASN HA 1.800 . 3.500 3.117 3.117 3.117 . 0 0 "[ ]" 7
543 1 135 TRP HA 1 136 ASN H 1.800 . 2.900 2.268 2.268 2.268 . 0 0 "[ ]" 7
544 1 135 TRP QB 1 136 ASN H 1.800 . 2.900 2.923 2.923 2.923 0.023 1 0 "[ ]" 7
545 1 43 PHE H 1 137 LEU HA 1.800 . 2.900 2.365 2.365 2.365 . 0 0 "[ ]" 7
546 1 116 TYR HB2 1 137 LEU H 1.800 . 5.000 2.676 2.676 2.676 . 0 0 "[ ]" 7
547 1 117 ASN HA 1 137 LEU H 1.800 . 5.000 3.805 3.805 3.805 . 0 0 "[ ]" 7
548 1 136 ASN HA 1 137 LEU H 1.800 . 2.900 2.253 2.253 2.253 . 0 0 "[ ]" 7
549 1 136 ASN QB 1 137 LEU H 1.800 . 5.000 3.033 3.033 3.033 . 0 0 "[ ]" 7
550 1 137 LEU H 1 137 LEU QB 1.800 . 3.500 2.366 2.366 2.366 . 0 0 "[ ]" 7
551 1 44 VAL HA 1 138 THR H 1.800 . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 7
552 1 45 LEU H 1 138 THR HB 1.800 . 5.000 3.821 3.821 3.821 . 0 0 "[ ]" 7
553 1 114 GLY H 1 138 THR HA 1.800 . 5.000 3.909 3.909 3.909 . 0 0 "[ ]" 7
554 1 115 SER H 1 138 THR HA 1.800 . 6.000 4.000 4.000 4.000 . 0 0 "[ ]" 7
555 1 116 TYR H 1 138 THR HA 1.800 . 3.500 3.520 3.520 3.520 0.020 1 0 "[ ]" 7
556 1 137 LEU HA 1 138 THR H 1.800 . 2.900 2.249 2.249 2.249 . 0 0 "[ ]" 7
557 1 138 THR H 1 138 THR HB 1.800 . 2.900 2.377 2.377 2.377 . 0 0 "[ ]" 7
558 1 45 LEU H 1 139 ILE HA 1.800 . 3.500 2.903 2.903 2.903 . 0 0 "[ ]" 7
559 1 47 GLU H 1 139 ILE HA 1.800 . 6.000 5.592 5.592 5.592 . 0 0 "[ ]" 7
560 1 113 ARG HA 1 139 ILE H 1.800 . 5.000 3.969 3.969 3.969 . 0 0 "[ ]" 7
561 1 114 GLY H 1 139 ILE HB 1.800 . 3.500 1.997 1.997 1.997 . 0 0 "[ ]" 7
562 1 115 SER HA 1 139 ILE H 1.800 . 5.000 3.585 3.585 3.585 . 0 0 "[ ]" 7
563 1 138 THR HA 1 139 ILE H 1.800 . 2.900 2.230 2.230 2.230 . 0 0 "[ ]" 7
564 1 46 LYS HA 1 140 LYS H 1.800 . 5.000 2.489 2.489 2.489 . 0 0 "[ ]" 7
565 1 114 GLY H 1 140 LYS HA 1.800 . 5.000 4.587 4.587 4.587 . 0 0 "[ ]" 7
566 1 139 ILE HA 1 140 LYS H 1.800 . 2.900 2.414 2.414 2.414 . 0 0 "[ ]" 7
567 1 139 ILE HB 1 140 LYS H 1.800 . 5.000 3.821 3.821 3.821 . 0 0 "[ ]" 7
568 1 47 GLU H 1 141 LYS HA 1.800 . 5.000 2.743 2.743 2.743 . 0 0 "[ ]" 7
569 1 47 GLU H 1 141 LYS QE 1.800 . 6.000 5.999 5.999 5.999 . 0 0 "[ ]" 7
570 1 141 LYS HA 1 142 GLU H 1.800 . 5.000 3.568 3.568 3.568 . 0 0 "[ ]" 7
571 1 141 LYS QE 1 142 GLU H 1.800 . 5.000 5.018 5.018 5.018 0.018 1 0 "[ ]" 7
572 1 142 GLU H 1 142 GLU QG 1.800 . 5.000 3.577 3.577 3.577 . 0 0 "[ ]" 7
573 1 142 GLU HA 1 143 TRP H 1.800 . 2.900 2.763 2.763 2.763 . 0 0 "[ ]" 7
574 1 143 TRP QB 1 144 LYS H 1.800 . 5.000 3.640 3.640 3.640 . 0 0 "[ ]" 7
575 1 143 TRP HA 1 145 ASP H 1.800 . 6.000 3.710 3.710 3.710 . 0 0 "[ ]" 7
576 1 144 LYS HA 1 145 ASP H 1.800 . 2.900 2.911 2.911 2.911 0.011 1 0 "[ ]" 7
577 1 36 GLU HA 1 39 LYS H 1.800 . 5.000 3.920 3.920 3.920 . 0 0 "[ ]" 7
578 1 30 ASP H 1 38 PHE QE 1.800 . 3.500 2.700 2.700 2.700 . 0 0 "[ ]" 7
579 1 30 ASP H 1 38 PHE HZ 1.800 . 5.000 3.252 3.252 3.252 . 0 0 "[ ]" 7
580 1 29 LEU MD2 1 30 ASP H 1.800 . 4.000 2.334 2.334 2.334 . 0 0 "[ ]" 7
581 1 49 VAL H 1 106 ALA MB 1.800 . 3.400 2.410 2.410 2.410 . 0 0 "[ ]" 7
582 1 42 SER HB3 1 136 ASN HB3 1.800 . 3.300 2.800 2.800 2.800 . 0 0 "[ ]" 7
583 1 42 SER HB3 1 136 ASN HB2 1.800 . 3.300 2.242 2.242 2.242 . 0 0 "[ ]" 7
584 1 42 SER HB2 1 136 ASN HB3 1.800 . 3.300 3.304 3.304 3.304 0.004 1 0 "[ ]" 7
585 1 42 SER HB2 1 136 ASN HB2 1.800 . 3.300 3.308 3.308 3.308 0.008 1 0 "[ ]" 7
586 1 42 SER HB3 1 138 THR HB 1.800 . 5.000 5.031 5.031 5.031 0.031 1 0 "[ ]" 7
587 1 42 SER HB2 1 138 THR HB 1.800 . 5.000 3.525 3.525 3.525 . 0 0 "[ ]" 7
588 1 42 SER HB3 1 137 LEU HA 1.800 . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 7
589 1 42 SER HB2 1 137 LEU HA 1.800 . 5.000 3.628 3.628 3.628 . 0 0 "[ ]" 7
590 1 37 SER QB 1 41 GLN QE 1.800 . 5.000 3.694 3.694 3.694 . 0 0 "[ ]" 7
591 1 29 LEU MD2 1 41 GLN QE 1.800 . 6.500 3.551 3.551 3.551 . 0 0 "[ ]" 7
stop_
save_
save_distance_constraint_statistics_8
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 8
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 0.286
_Distance_constraint_stats_list.Viol_max 0.193
_Distance_constraint_stats_list.Viol_rms 0.0281
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0716
_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 11 VAL 0.000 0.000 . 0 "[ ]"
1 12 VAL 0.000 0.000 . 0 "[ ]"
1 16 LEU 0.000 0.000 . 0 "[ ]"
1 17 THR 0.009 0.009 1 0 "[ ]"
1 18 LEU 0.000 0.000 . 0 "[ ]"
1 19 VAL 0.000 0.000 . 0 "[ ]"
1 20 CYS 0.000 0.000 . 0 "[ ]"
1 23 ALA 0.000 0.000 . 0 "[ ]"
1 24 PRO 0.000 0.000 . 0 "[ ]"
1 27 LEU 0.000 0.000 . 0 "[ ]"
1 28 GLU 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.009 0.009 1 0 "[ ]"
1 43 PHE 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.000 0.000 . 0 "[ ]"
1 47 GLU 0.009 0.009 1 0 "[ ]"
1 48 GLY 0.000 0.000 . 0 "[ ]"
1 50 GLU 0.000 0.000 . 0 "[ ]"
1 51 TYR 0.000 0.000 . 0 "[ ]"
1 52 ARG 0.000 0.000 . 0 "[ ]"
1 53 ILE 0.000 0.000 . 0 "[ ]"
1 66 GLY 0.000 0.000 . 0 "[ ]"
1 67 MET 0.000 0.000 . 0 "[ ]"
1 100 LEU 0.000 0.000 . 0 "[ ]"
1 102 PRO 0.000 0.000 . 0 "[ ]"
1 103 MET 0.000 0.000 . 0 "[ ]"
1 104 GLU 0.000 0.000 . 0 "[ ]"
1 105 GLU 0.000 0.000 . 0 "[ ]"
1 108 LYS 0.009 0.009 1 0 "[ ]"
1 112 ALA 0.000 0.000 . 0 "[ ]"
1 115 SER 0.000 0.000 . 0 "[ ]"
1 121 ARG 0.000 0.000 . 0 "[ ]"
1 123 THR 0.000 0.000 . 0 "[ ]"
1 124 ASP 0.000 0.000 . 0 "[ ]"
1 125 ASP 0.268 0.193 1 0 "[ ]"
1 128 THR 0.000 0.000 . 0 "[ ]"
1 129 ASP 0.000 0.000 . 0 "[ ]"
1 130 HIS 0.000 0.000 . 0 "[ ]"
1 144 LYS 0.000 0.000 . 0 "[ ]"
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 11 VAL HA 1 12 VAL HA 1.800 . 5.000 4.485 4.485 4.485 . 0 0 "[ ]" 8
2 1 16 LEU MD2 1 17 THR HA 1.800 . 5.500 3.225 3.225 3.225 . 0 0 "[ ]" 8
3 1 19 VAL HA 1 19 VAL MG2 1.800 . 3.200 2.274 2.274 2.274 . 0 0 "[ ]" 8
4 1 19 VAL HA 1 20 CYS QB 1.800 . 5.000 3.714 3.714 3.714 . 0 0 "[ ]" 8
5 1 20 CYS HA 1 20 CYS QB 1.800 . 2.700 2.518 2.518 2.518 . 0 0 "[ ]" 8
6 1 19 VAL HA 1 23 ALA MB 1.800 . 5.500 3.854 3.854 3.854 . 0 0 "[ ]" 8
7 1 20 CYS HA 1 23 ALA MB 1.800 . 5.500 4.135 4.135 4.135 . 0 0 "[ ]" 8
8 1 23 ALA MB 1 24 PRO HA 1.800 . 5.500 4.404 4.404 4.404 . 0 0 "[ ]" 8
9 1 17 THR HA 1 28 GLU HG3 1.800 . 5.000 3.513 3.513 3.513 . 0 0 "[ ]" 8
10 1 17 THR HA 1 28 GLU HG2 1.800 . 5.000 3.381 3.381 3.381 . 0 0 "[ ]" 8
11 1 17 THR HA 1 29 LEU QB 1.800 . 5.000 5.009 5.009 5.009 0.009 1 0 "[ ]" 8
12 1 27 LEU HA 1 43 PHE QE 1.800 . 5.000 4.447 4.447 4.447 . 0 0 "[ ]" 8
13 1 100 LEU HA 1 100 LEU MD1 1.800 . 3.800 3.690 3.690 3.690 . 0 0 "[ ]" 8
14 1 123 THR HA 1 123 THR HB 1.800 . 2.700 2.444 2.444 2.444 . 0 0 "[ ]" 8
15 1 67 MET QG 1 124 ASP HA 1.800 . 5.000 3.545 3.545 3.545 . 0 0 "[ ]" 8
16 1 123 THR HA 1 124 ASP QB 1.800 . 5.000 4.135 4.135 4.135 . 0 0 "[ ]" 8
17 1 66 GLY QA 1 125 ASP HA 1.800 . 5.000 3.703 3.703 3.703 . 0 0 "[ ]" 8
18 1 125 ASP HA 1 125 ASP HB3 1.800 . 2.700 2.776 2.776 2.776 0.076 1 0 "[ ]" 8
19 1 125 ASP HA 1 125 ASP HB2 1.800 . 2.700 2.893 2.893 2.893 0.193 1 0 "[ ]" 8
20 1 128 THR HA 1 128 THR HB 1.800 . 2.700 2.471 2.471 2.471 . 0 0 "[ ]" 8
21 1 121 ARG QD 1 129 ASP HA 1.800 . 5.000 4.592 4.592 4.592 . 0 0 "[ ]" 8
22 1 123 THR HB 1 129 ASP HA 1.800 . 3.300 2.591 2.591 2.591 . 0 0 "[ ]" 8
23 1 123 THR MG 1 129 ASP HA 1.800 . 5.500 4.084 4.084 4.084 . 0 0 "[ ]" 8
24 1 128 THR HA 1 129 ASP QB 1.800 . 5.000 4.479 4.479 4.479 . 0 0 "[ ]" 8
25 1 11 VAL HB 1 130 HIS HA 1.800 . 5.000 4.926 4.926 4.926 . 0 0 "[ ]" 8
26 1 123 THR HA 1 130 HIS QB 1.800 . 5.000 3.417 3.417 3.417 . 0 0 "[ ]" 8
27 1 23 ALA HA 1 144 LYS QB 1.800 . 3.300 3.202 3.202 3.202 . 0 0 "[ ]" 8
28 1 50 GLU HA 1 50 GLU QG 1.800 . 3.300 2.190 2.190 2.190 . 0 0 "[ ]" 8
29 1 20 CYS QB 1 51 TYR HA 1.800 . 5.000 3.417 3.417 3.417 . 0 0 "[ ]" 8
30 1 50 GLU HA 1 51 TYR QD 1.800 . 5.000 4.014 4.014 4.014 . 0 0 "[ ]" 8
31 1 51 TYR QD 1 52 ARG HA 1.800 . 5.000 3.730 3.730 3.730 . 0 0 "[ ]" 8
32 1 18 LEU HG 1 53 ILE HA 1.800 . 5.000 3.017 3.017 3.017 . 0 0 "[ ]" 8
33 1 53 ILE HA 1 53 ILE QG 1.800 . 3.300 2.430 2.430 2.430 . 0 0 "[ ]" 8
34 1 53 ILE HA 1 53 ILE MG 1.800 . 3.800 2.412 2.412 2.412 . 0 0 "[ ]" 8
35 1 52 ARG QD 1 103 MET HA 1.800 . 5.000 4.226 4.226 4.226 . 0 0 "[ ]" 8
36 1 52 ARG QG 1 103 MET HA 1.800 . 3.300 2.116 2.116 2.116 . 0 0 "[ ]" 8
37 1 102 PRO HA 1 103 MET HA 1.800 . 5.000 4.397 4.397 4.397 . 0 0 "[ ]" 8
38 1 103 MET QG 1 104 GLU HA 1.800 . 5.000 4.202 4.202 4.202 . 0 0 "[ ]" 8
39 1 50 GLU HA 1 105 GLU HB3 1.800 . 5.000 3.475 3.475 3.475 . 0 0 "[ ]" 8
40 1 50 GLU HA 1 105 GLU HB2 1.800 . 5.000 4.376 4.376 4.376 . 0 0 "[ ]" 8
41 1 48 GLY HA3 1 108 LYS QE 1.800 . 5.000 2.979 2.979 2.979 . 0 0 "[ ]" 8
42 1 48 GLY HA2 1 108 LYS QE 1.800 . 5.000 4.471 4.471 4.471 . 0 0 "[ ]" 8
43 1 48 GLY HA3 1 105 GLU QG 1.800 . 6.000 4.929 4.929 4.929 . 0 0 "[ ]" 8
44 1 48 GLY HA2 1 105 GLU QG 1.800 . 6.000 4.883 4.883 4.883 . 0 0 "[ ]" 8
45 1 47 GLU QB 1 108 LYS HA 1.800 . 5.000 2.980 2.980 2.980 . 0 0 "[ ]" 8
46 1 47 GLU QG 1 108 LYS HA 1.800 . 3.300 3.309 3.309 3.309 0.009 1 0 "[ ]" 8
47 1 108 LYS HA 1 112 ALA MB 1.800 . 3.800 2.731 2.731 2.731 . 0 0 "[ ]" 8
48 1 115 SER HA 1 115 SER HB3 1.800 . 2.700 2.371 2.371 2.371 . 0 0 "[ ]" 8
49 1 115 SER HA 1 115 SER HB2 1.800 . 2.700 2.590 2.590 2.590 . 0 0 "[ ]" 8
50 1 45 LEU HA 1 45 LEU MD2 1.800 . 3.200 1.946 1.946 1.946 . 0 0 "[ ]" 8
51 1 66 GLY HA3 1 125 ASP HB3 1.800 . 6.000 4.256 4.256 4.256 . 0 0 "[ ]" 8
52 1 66 GLY HA3 1 125 ASP HB2 1.800 . 6.000 2.945 2.945 2.945 . 0 0 "[ ]" 8
53 1 66 GLY HA2 1 125 ASP HB3 1.800 . 6.000 5.749 5.749 5.749 . 0 0 "[ ]" 8
54 1 66 GLY HA2 1 125 ASP HB2 1.800 . 6.000 4.635 4.635 4.635 . 0 0 "[ ]" 8
stop_
save_
save_distance_constraint_statistics_9
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 9
_Distance_constraint_stats_list.Constraint_count 102
_Distance_constraint_stats_list.Viol_count 16
_Distance_constraint_stats_list.Viol_total 0.643
_Distance_constraint_stats_list.Viol_max 0.194
_Distance_constraint_stats_list.Viol_rms 0.0233
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0402
_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 11 VAL 0.029 0.029 1 0 "[ ]"
1 12 VAL 0.043 0.043 1 0 "[ ]"
1 13 VAL 0.000 0.000 . 0 "[ ]"
1 14 THR 0.194 0.194 1 0 "[ ]"
1 16 LEU 0.000 0.000 . 0 "[ ]"
1 18 LEU 0.000 0.000 . 0 "[ ]"
1 20 CYS 0.014 0.014 1 0 "[ ]"
1 22 THR 0.000 0.000 . 0 "[ ]"
1 23 ALA 0.014 0.014 1 0 "[ ]"
1 24 PRO 0.000 0.000 . 0 "[ ]"
1 31 LEU 0.043 0.043 1 0 "[ ]"
1 36 GLU 0.000 0.000 . 0 "[ ]"
1 37 SER 0.000 0.000 . 0 "[ ]"
1 38 PHE 0.000 0.000 . 0 "[ ]"
1 39 LYS 0.000 0.000 . 0 "[ ]"
1 40 LYS 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.000 0.000 . 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 47 GLU 0.000 0.000 . 0 "[ ]"
1 48 GLY 0.000 0.000 . 0 "[ ]"
1 49 VAL 0.004 0.004 1 0 "[ ]"
1 50 GLU 0.000 0.000 . 0 "[ ]"
1 53 ILE 0.035 0.035 1 0 "[ ]"
1 54 LYS 0.000 0.000 . 0 "[ ]"
1 55 ILE 0.000 0.000 . 0 "[ ]"
1 56 SER 0.000 0.000 . 0 "[ ]"
1 57 PHE 0.000 0.000 . 0 "[ ]"
1 62 GLU 0.010 0.010 1 0 "[ ]"
1 63 ILE 0.047 0.036 1 0 "[ ]"
1 64 VAL 0.000 0.000 . 0 "[ ]"
1 67 MET 0.293 0.194 1 0 "[ ]"
1 68 LYS 0.000 0.000 . 0 "[ ]"
1 69 TYR 0.000 0.000 . 0 "[ ]"
1 70 ILE 0.056 0.047 1 0 "[ ]"
1 73 THR 0.000 0.000 . 0 "[ ]"
1 74 TYR 0.000 0.000 . 0 "[ ]"
1 75 ARG 0.000 0.000 . 0 "[ ]"
1 79 LYS 0.000 0.000 . 0 "[ ]"
1 80 ILE 0.092 0.092 1 0 "[ ]"
1 81 ASP 0.000 0.000 . 0 "[ ]"
1 84 ASP 0.047 0.047 1 0 "[ ]"
1 86 MET 0.000 0.000 . 0 "[ ]"
1 87 VAL 0.000 0.000 . 0 "[ ]"
1 90 TYR 0.027 0.027 1 0 "[ ]"
1 91 GLY 0.000 0.000 . 0 "[ ]"
1 92 PRO 0.000 0.000 . 0 "[ ]"
1 94 ALA 0.000 0.000 . 0 "[ ]"
1 95 GLU 0.000 0.000 . 0 "[ ]"
1 99 PHE 0.000 0.000 . 0 "[ ]"
1 105 GLU 0.044 0.044 1 0 "[ ]"
1 106 ALA 0.044 0.044 1 0 "[ ]"
1 107 PRO 0.000 0.000 . 0 "[ ]"
1 108 LYS 0.014 0.014 1 0 "[ ]"
1 109 GLY 0.000 0.000 . 0 "[ ]"
1 111 LEU 0.001 0.001 1 0 "[ ]"
1 112 ALA 0.015 0.014 1 0 "[ ]"
1 113 ARG 0.000 0.000 . 0 "[ ]"
1 114 GLY 0.000 0.000 . 0 "[ ]"
1 115 SER 0.000 0.000 . 0 "[ ]"
1 116 TYR 0.000 0.000 . 0 "[ ]"
1 121 ARG 0.000 0.000 . 0 "[ ]"
1 122 PHE 0.000 0.000 . 0 "[ ]"
1 123 THR 0.000 0.000 . 0 "[ ]"
1 124 ASP 0.043 0.043 1 0 "[ ]"
1 131 LEU 0.000 0.000 . 0 "[ ]"
1 138 THR 0.000 0.000 . 0 "[ ]"
1 139 ILE 0.000 0.000 . 0 "[ ]"
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 20 CYS QB 1 23 ALA MB 1.800 . 3.200 1.786 1.786 1.786 0.014 1 0 "[ ]" 9
2 1 22 THR HA 1 23 ALA MB 1.800 . 6.500 4.600 4.600 4.600 . 0 0 "[ ]" 9
3 1 23 ALA MB 1 24 PRO QG 1.800 . 5.500 3.516 3.516 3.516 . 0 0 "[ ]" 9
4 1 45 LEU MD1 1 49 VAL MG2 1.800 . 4.300 2.634 2.634 2.634 . 0 0 "[ ]" 9
5 1 46 LYS QB 1 49 VAL MG2 1.800 . 3.800 3.565 3.565 3.565 . 0 0 "[ ]" 9
6 1 46 LYS H 1 49 VAL MG2 1.800 . 4.000 2.362 2.362 2.362 . 0 0 "[ ]" 9
7 1 49 VAL HA 1 49 VAL MG2 1.800 . 3.200 3.204 3.204 3.204 0.004 1 0 "[ ]" 9
8 1 49 VAL MG2 1 50 GLU QG 1.800 . 6.500 5.282 5.282 5.282 . 0 0 "[ ]" 9
9 1 16 LEU MD2 1 53 ILE MD 1.800 . 6.000 4.477 4.477 4.477 . 0 0 "[ ]" 9
10 1 16 LEU MD2 1 53 ILE MG 1.800 . 6.000 3.035 3.035 3.035 . 0 0 "[ ]" 9
11 1 18 LEU HA 1 53 ILE MD 1.800 . 5.500 5.347 5.347 5.347 . 0 0 "[ ]" 9
12 1 53 ILE HA 1 53 ILE MD 1.800 . 3.800 3.835 3.835 3.835 0.035 1 0 "[ ]" 9
13 1 53 ILE MG 1 54 LYS HA 1.800 . 6.500 3.815 3.815 3.815 . 0 0 "[ ]" 9
14 1 13 VAL MG1 1 55 ILE MG 1.800 . 4.300 2.307 2.307 2.307 . 0 0 "[ ]" 9
15 1 55 ILE HA 1 55 ILE MG 1.800 . 3.200 2.413 2.413 2.413 . 0 0 "[ ]" 9
16 1 55 ILE MG 1 56 SER HA 1.800 . 5.500 3.773 3.773 3.773 . 0 0 "[ ]" 9
17 1 55 ILE MG 1 57 PHE QB 1.800 . 6.500 3.213 3.213 3.213 . 0 0 "[ ]" 9
18 1 62 GLU HA 1 63 ILE MG 1.800 . 5.500 5.510 5.510 5.510 0.010 1 0 "[ ]" 9
19 1 63 ILE HA 1 63 ILE MD 1.800 . 3.800 3.836 3.836 3.836 0.036 1 0 "[ ]" 9
20 1 63 ILE HA 1 63 ILE MG 1.800 . 3.200 2.294 2.294 2.294 . 0 0 "[ ]" 9
21 1 63 ILE MG 1 64 VAL HA 1.800 . 5.500 4.182 4.182 4.182 . 0 0 "[ ]" 9
22 1 11 VAL HA 1 67 MET ME 1.800 . 6.500 4.399 4.399 4.399 . 0 0 "[ ]" 9
23 1 11 VAL MG1 1 67 MET ME 1.800 . 4.300 1.771 1.771 1.771 0.029 1 0 "[ ]" 9
24 1 11 VAL MG2 1 67 MET ME 1.800 . 4.300 3.306 3.306 3.306 . 0 0 "[ ]" 9
25 1 14 THR H 1 67 MET ME 1.800 . 5.500 5.694 5.694 5.694 0.194 1 0 "[ ]" 9
26 1 57 PHE HZ 1 67 MET ME 1.800 . 3.800 3.543 3.543 3.543 . 0 0 "[ ]" 9
27 1 67 MET HA 1 67 MET ME 1.800 . 5.500 4.392 4.392 4.392 . 0 0 "[ ]" 9
28 1 69 TYR HA 1 70 ILE MD 1.800 . 5.500 5.151 5.151 5.151 . 0 0 "[ ]" 9
29 1 70 ILE HA 1 70 ILE MD 1.800 . 3.800 3.809 3.809 3.809 0.009 1 0 "[ ]" 9
30 1 73 THR HB 1 80 ILE MD 1.800 . 5.500 2.404 2.404 2.404 . 0 0 "[ ]" 9
31 1 73 THR HB 1 80 ILE MG 1.800 . 6.500 4.493 4.493 4.493 . 0 0 "[ ]" 9
32 1 74 TYR HA 1 80 ILE MD 1.800 . 5.500 5.390 5.390 5.390 . 0 0 "[ ]" 9
33 1 74 TYR HA 1 80 ILE MG 1.800 . 5.500 3.822 3.822 3.822 . 0 0 "[ ]" 9
34 1 75 ARG QB 1 80 ILE MD 1.800 . 3.800 3.536 3.536 3.536 . 0 0 "[ ]" 9
35 1 75 ARG QD 1 80 ILE MD 1.800 . 5.500 3.187 3.187 3.187 . 0 0 "[ ]" 9
36 1 75 ARG QB 1 80 ILE MG 1.800 . 5.500 2.055 2.055 2.055 . 0 0 "[ ]" 9
37 1 79 LYS HA 1 80 ILE MD 1.800 . 5.500 5.419 5.419 5.419 . 0 0 "[ ]" 9
38 1 79 LYS HA 1 80 ILE MG 1.800 . 5.500 3.484 3.484 3.484 . 0 0 "[ ]" 9
39 1 80 ILE HA 1 80 ILE MD 1.800 . 3.800 3.892 3.892 3.892 0.092 1 0 "[ ]" 9
40 1 80 ILE HA 1 80 ILE MG 1.800 . 3.200 2.399 2.399 2.399 . 0 0 "[ ]" 9
41 1 80 ILE H 1 80 ILE MG 1.800 . 3.400 2.596 2.596 2.596 . 0 0 "[ ]" 9
42 1 80 ILE MG 1 81 ASP H 1.800 . 5.500 3.972 3.972 3.972 . 0 0 "[ ]" 9
43 1 80 ILE H 1 80 ILE MD 1.800 . 4.000 3.725 3.725 3.725 . 0 0 "[ ]" 9
44 1 80 ILE MD 1 81 ASP H 1.800 . 5.500 3.480 3.480 3.480 . 0 0 "[ ]" 9
45 1 80 ILE H 1 80 ILE QG 1.800 . 3.500 1.990 1.990 1.990 . 0 0 "[ ]" 9
46 1 80 ILE QG 1 81 ASP H 1.800 . 5.000 1.984 1.984 1.984 . 0 0 "[ ]" 9
47 1 80 ILE HA 1 80 ILE HB 1.800 . 2.700 2.474 2.474 2.474 . 0 0 "[ ]" 9
48 1 70 ILE MD 1 84 ASP HA 1.800 . 3.800 3.847 3.847 3.847 0.047 1 0 "[ ]" 9
49 1 70 ILE MD 1 84 ASP QB 1.800 . 5.500 2.901 2.901 2.901 . 0 0 "[ ]" 9
50 1 67 MET ME 1 87 VAL MG2 1.800 . 7.000 3.968 3.968 3.968 . 0 0 "[ ]" 9
51 1 67 MET ME 1 90 TYR QD 1.800 . 3.200 3.227 3.227 3.227 0.027 1 0 "[ ]" 9
52 1 63 ILE MD 1 91 GLY QA 1.800 . 3.800 3.064 3.064 3.064 . 0 0 "[ ]" 9
53 1 63 ILE MG 1 91 GLY QA 1.800 . 3.800 2.313 2.313 2.313 . 0 0 "[ ]" 9
54 1 63 ILE MD 1 92 PRO QD 1.800 . 3.800 3.221 3.221 3.221 . 0 0 "[ ]" 9
55 1 63 ILE MG 1 92 PRO QD 1.800 . 3.800 3.497 3.497 3.497 . 0 0 "[ ]" 9
56 1 62 GLU HA 1 63 ILE MD 1.800 . 5.500 4.821 4.821 4.821 . 0 0 "[ ]" 9
57 1 94 ALA MB 1 95 GLU QG 1.800 . 6.500 2.406 2.406 2.406 . 0 0 "[ ]" 9
58 1 55 ILE MG 1 99 PHE QB 1.800 . 6.500 3.193 3.193 3.193 . 0 0 "[ ]" 9
59 1 45 LEU MD1 1 106 ALA MB 1.800 . 3.200 2.933 2.933 2.933 . 0 0 "[ ]" 9
60 1 105 GLU HA 1 106 ALA MB 1.800 . 3.800 3.844 3.844 3.844 0.044 1 0 "[ ]" 9
61 1 106 ALA MB 1 107 PRO QD 1.800 . 3.200 1.876 1.876 1.876 . 0 0 "[ ]" 9
62 1 70 ILE MD 1 121 ARG QB 1.800 . 3.800 2.677 2.677 2.677 . 0 0 "[ ]" 9
63 1 55 ILE MG 1 122 PHE HZ 1.800 . 5.500 2.506 2.506 2.506 . 0 0 "[ ]" 9
64 1 67 MET ME 1 122 PHE QD 1.800 . 3.800 3.423 3.423 3.423 . 0 0 "[ ]" 9
65 1 67 MET ME 1 122 PHE HZ 1.800 . 3.800 1.964 1.964 1.964 . 0 0 "[ ]" 9
66 1 70 ILE MD 1 123 THR MG 1.800 . 3.700 2.398 2.398 2.398 . 0 0 "[ ]" 9
67 1 122 PHE HA 1 123 THR MG 1.800 . 5.500 3.823 3.823 3.823 . 0 0 "[ ]" 9
68 1 123 THR HA 1 123 THR MG 1.800 . 3.800 3.197 3.197 3.197 . 0 0 "[ ]" 9
69 1 67 MET ME 1 124 ASP HA 1.800 . 5.500 5.543 5.543 5.543 0.043 1 0 "[ ]" 9
70 1 123 THR MG 1 124 ASP HA 1.800 . 5.500 3.861 3.861 3.861 . 0 0 "[ ]" 9
71 1 47 GLU HA 1 139 ILE MG 1.800 . 3.200 2.330 2.330 2.330 . 0 0 "[ ]" 9
72 1 49 VAL MG2 1 139 ILE MD 1.800 . 6.000 3.714 3.714 3.714 . 0 0 "[ ]" 9
73 1 106 ALA MB 1 139 ILE MD 1.800 . 3.700 2.178 2.178 2.178 . 0 0 "[ ]" 9
74 1 139 ILE HA 1 139 ILE MG 1.800 . 3.200 2.383 2.383 2.383 . 0 0 "[ ]" 9
75 1 106 ALA MB 1 107 PRO HA 1.800 . 5.000 4.284 4.284 4.284 . 0 0 "[ ]" 9
76 1 48 GLY QA 1 106 ALA MB 1.800 . 3.200 2.269 2.269 2.269 . 0 0 "[ ]" 9
77 1 108 LYS HA 1 139 ILE MG 1.800 . 5.500 3.295 3.295 3.295 . 0 0 "[ ]" 9
78 1 47 GLU HA 1 108 LYS HA 1.800 . 3.300 2.643 2.643 2.643 . 0 0 "[ ]" 9
79 1 113 ARG HA 1 139 ILE MG 1.800 . 3.800 2.371 2.371 2.371 . 0 0 "[ ]" 9
80 1 114 GLY QA 1 138 THR MG 1.800 . 5.500 3.367 3.367 3.367 . 0 0 "[ ]" 9
81 1 115 SER HA 1 139 ILE QG 1.800 . 6.000 4.580 4.580 4.580 . 0 0 "[ ]" 9
82 1 111 LEU MD1 1 112 ALA HA 1.800 . 5.500 5.501 5.501 5.501 0.001 1 0 "[ ]" 9
83 1 111 LEU MD2 1 112 ALA HA 1.800 . 5.500 3.411 3.411 3.411 . 0 0 "[ ]" 9
84 1 68 LYS HG3 1 86 MET HA 1.800 . 5.000 3.148 3.148 3.148 . 0 0 "[ ]" 9
85 1 68 LYS HG2 1 86 MET HA 1.800 . 5.000 2.537 2.537 2.537 . 0 0 "[ ]" 9
86 1 68 LYS HG3 1 69 TYR H 1.800 . 5.000 4.544 4.544 4.544 . 0 0 "[ ]" 9
87 1 68 LYS HG2 1 69 TYR H 1.800 . 5.000 3.762 3.762 3.762 . 0 0 "[ ]" 9
88 1 31 LEU HA 1 131 LEU MD2 1.800 . 5.500 3.795 3.795 3.795 . 0 0 "[ ]" 9
89 1 31 LEU HA 1 38 PHE HZ 1.800 . 5.000 3.687 3.687 3.687 . 0 0 "[ ]" 9
90 1 31 LEU HA 1 38 PHE QE 1.800 . 5.000 4.096 4.096 4.096 . 0 0 "[ ]" 9
91 1 12 VAL MG1 1 31 LEU HA 1.800 . 5.500 5.543 5.543 5.543 0.043 1 0 "[ ]" 9
92 1 36 GLU HA 1 39 LYS QE 1.800 . 3.300 3.272 3.272 3.272 . 0 0 "[ ]" 9
93 1 36 GLU HA 1 39 LYS QD 1.800 . 5.000 4.394 4.394 4.394 . 0 0 "[ ]" 9
94 1 36 GLU HA 1 39 LYS QB 1.800 . 5.000 4.707 4.707 4.707 . 0 0 "[ ]" 9
95 1 36 GLU HA 1 39 LYS QG 1.800 . 3.300 3.006 3.006 3.006 . 0 0 "[ ]" 9
96 1 37 SER HA 1 40 LYS QG 1.800 . 5.000 4.417 4.417 4.417 . 0 0 "[ ]" 9
97 1 37 SER HA 1 40 LYS HB3 1.800 . 5.000 2.957 2.957 2.957 . 0 0 "[ ]" 9
98 1 37 SER HA 1 40 LYS HB2 1.800 . 5.000 2.647 2.647 2.647 . 0 0 "[ ]" 9
99 1 112 ALA MB 1 116 TYR QE 1.800 . 5.500 4.120 4.120 4.120 . 0 0 "[ ]" 9
100 1 108 LYS H 1 112 ALA MB 1.800 . 3.400 3.414 3.414 3.414 0.014 1 0 "[ ]" 9
101 1 109 GLY H 1 112 ALA MB 1.800 . 5.500 2.977 2.977 2.977 . 0 0 "[ ]" 9
102 1 112 ALA MB 1 113 ARG H 1.800 . 4.000 2.871 2.871 2.871 . 0 0 "[ ]" 9
stop_
save_
save_distance_constraint_statistics_10
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 10
_Distance_constraint_stats_list.Constraint_count 58
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 0.448
_Distance_constraint_stats_list.Viol_max 0.202
_Distance_constraint_stats_list.Viol_rms 0.0317
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0746
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 ASP 0.000 0.000 . 0 "[ ]"
1 6 PRO 0.000 0.000 . 0 "[ ]"
1 11 VAL 0.000 0.000 . 0 "[ ]"
1 13 VAL 0.000 0.000 . 0 "[ ]"
1 15 ARG 0.000 0.000 1 0 "[ ]"
1 17 THR 0.000 0.000 . 0 "[ ]"
1 18 LEU 0.000 0.000 . 0 "[ ]"
1 20 CYS 0.000 0.000 . 0 "[ ]"
1 22 THR 0.000 0.000 . 0 "[ ]"
1 25 GLY 0.000 0.000 . 0 "[ ]"
1 26 PRO 0.000 0.000 . 0 "[ ]"
1 28 GLU 0.000 0.000 . 0 "[ ]"
1 30 ASP 0.000 0.000 1 0 "[ ]"
1 42 SER 0.000 0.000 . 0 "[ ]"
1 44 VAL 0.000 0.000 . 0 "[ ]"
1 46 LYS 0.038 0.038 1 0 "[ ]"
1 50 GLU 0.000 0.000 . 0 "[ ]"
1 51 TYR 0.000 0.000 . 0 "[ ]"
1 52 ARG 0.000 0.000 . 0 "[ ]"
1 53 ILE 0.000 0.000 . 0 "[ ]"
1 54 LYS 0.000 0.000 . 0 "[ ]"
1 56 SER 0.000 0.000 . 0 "[ ]"
1 57 PHE 0.000 0.000 . 0 "[ ]"
1 58 ARG 0.110 0.110 1 0 "[ ]"
1 59 VAL 0.000 0.000 . 0 "[ ]"
1 60 ASN 0.275 0.202 1 0 "[ ]"
1 62 GLU 0.023 0.023 1 0 "[ ]"
1 63 ILE 0.000 0.000 . 0 "[ ]"
1 65 SER 0.000 0.000 . 0 "[ ]"
1 67 MET 0.000 0.000 . 0 "[ ]"
1 68 LYS 0.000 0.000 . 0 "[ ]"
1 69 TYR 0.000 0.000 . 0 "[ ]"
1 70 ILE 0.000 0.000 . 0 "[ ]"
1 72 HIS 0.000 0.000 . 0 "[ ]"
1 74 TYR 0.000 0.000 . 0 "[ ]"
1 75 ARG 0.000 0.000 . 0 "[ ]"
1 79 LYS 0.000 0.000 . 0 "[ ]"
1 82 LYS 0.000 0.000 . 0 "[ ]"
1 84 ASP 0.000 0.000 . 0 "[ ]"
1 86 MET 0.000 0.000 . 0 "[ ]"
1 87 VAL 0.000 0.000 . 0 "[ ]"
1 89 SER 0.000 0.000 . 0 "[ ]"
1 91 GLY 0.000 0.000 . 0 "[ ]"
1 92 PRO 0.023 0.023 1 0 "[ ]"
1 96 GLU 0.000 0.000 . 0 "[ ]"
1 98 GLU 0.000 0.000 . 0 "[ ]"
1 99 PHE 0.000 0.000 . 0 "[ ]"
1 100 LEU 0.000 0.000 . 0 "[ ]"
1 103 MET 0.000 0.000 . 0 "[ ]"
1 105 GLU 0.000 0.000 . 0 "[ ]"
1 106 ALA 0.000 0.000 . 0 "[ ]"
1 107 PRO 0.000 0.000 . 0 "[ ]"
1 110 MET 0.000 0.000 . 0 "[ ]"
1 113 ARG 0.000 0.000 . 0 "[ ]"
1 115 SER 0.000 0.000 . 0 "[ ]"
1 116 TYR 0.000 0.000 . 0 "[ ]"
1 117 ASN 0.000 0.000 . 0 "[ ]"
1 119 LYS 0.000 0.000 . 0 "[ ]"
1 121 ARG 0.000 0.000 . 0 "[ ]"
1 122 PHE 0.000 0.000 . 0 "[ ]"
1 123 THR 0.000 0.000 . 0 "[ ]"
1 124 ASP 0.000 0.000 . 0 "[ ]"
1 126 ASP 0.000 0.000 . 0 "[ ]"
1 127 ARG 0.000 0.000 . 0 "[ ]"
1 129 ASP 0.000 0.000 . 0 "[ ]"
1 132 SER 0.000 0.000 . 0 "[ ]"
1 134 GLU 0.000 0.000 . 0 "[ ]"
1 136 ASN 0.000 0.000 . 0 "[ ]"
1 138 THR 0.000 0.000 . 0 "[ ]"
1 142 GLU 0.038 0.038 1 0 "[ ]"
1 143 TRP 0.000 0.000 . 0 "[ ]"
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 ASP HA 1 5 ASP QB 1.800 . 2.700 2.491 2.491 2.491 . 0 0 "[ ]" 10
2 1 5 ASP QB 1 6 PRO QD 1.800 . 5.000 3.793 3.793 3.793 . 0 0 "[ ]" 10
3 1 5 ASP HA 1 6 PRO QD 1.800 . 2.700 2.081 2.081 2.081 . 0 0 "[ ]" 10
4 1 22 THR HA 1 22 THR HB 1.800 . 2.700 2.607 2.607 2.607 . 0 0 "[ ]" 10
5 1 25 GLY QA 1 26 PRO QD 1.800 . 2.700 2.095 2.095 2.095 . 0 0 "[ ]" 10
6 1 17 THR HA 1 28 GLU HA 1.800 . 2.700 2.550 2.550 2.550 . 0 0 "[ ]" 10
7 1 15 ARG HA 1 30 ASP HA 1.800 . 3.300 3.300 3.300 3.300 0.000 1 0 "[ ]" 10
8 1 42 SER HA 1 42 SER HB3 1.800 . 2.700 2.364 2.364 2.364 . 0 0 "[ ]" 10
9 1 42 SER HA 1 42 SER HB2 1.800 . 2.700 2.603 2.603 2.603 . 0 0 "[ ]" 10
10 1 46 LYS HA 1 46 LYS QE 1.800 . 5.000 4.117 4.117 4.117 . 0 0 "[ ]" 10
11 1 20 CYS HA 1 51 TYR HA 1.800 . 3.300 2.517 2.517 2.517 . 0 0 "[ ]" 10
12 1 18 LEU HA 1 53 ILE HA 1.800 . 3.300 2.649 2.649 2.649 . 0 0 "[ ]" 10
13 1 13 VAL HA 1 57 PHE HA 1.800 . 3.300 3.082 3.082 3.082 . 0 0 "[ ]" 10
14 1 58 ARG HA 1 58 ARG QD 1.800 . 3.300 3.410 3.410 3.410 0.110 1 0 "[ ]" 10
15 1 11 VAL HA 1 59 VAL HA 1.800 . 3.300 3.204 3.204 3.204 . 0 0 "[ ]" 10
16 1 60 ASN HA 1 60 ASN HB3 1.800 . 2.700 2.902 2.902 2.902 0.202 1 0 "[ ]" 10
17 1 60 ASN HA 1 60 ASN HB2 1.800 . 2.700 2.774 2.774 2.774 0.074 1 0 "[ ]" 10
18 1 65 SER HA 1 65 SER HB3 1.800 . 2.700 2.482 2.482 2.482 . 0 0 "[ ]" 10
19 1 65 SER HA 1 65 SER HB2 1.800 . 2.700 2.465 2.465 2.465 . 0 0 "[ ]" 10
20 1 74 TYR HA 1 79 LYS HA 1.800 . 2.700 1.992 1.992 1.992 . 0 0 "[ ]" 10
21 1 72 HIS HA 1 82 LYS HA 1.800 . 2.700 2.209 2.209 2.209 . 0 0 "[ ]" 10
22 1 70 ILE HA 1 84 ASP HA 1.800 . 2.700 1.986 1.986 1.986 . 0 0 "[ ]" 10
23 1 68 LYS HA 1 86 MET HA 1.800 . 3.300 2.406 2.406 2.406 . 0 0 "[ ]" 10
24 1 65 SER HA 1 89 SER HA 1.800 . 2.700 2.290 2.290 2.290 . 0 0 "[ ]" 10
25 1 65 SER HA 1 89 SER HB3 1.800 . 3.300 2.288 2.288 2.288 . 0 0 "[ ]" 10
26 1 65 SER HA 1 89 SER HB2 1.800 . 3.300 2.167 2.167 2.167 . 0 0 "[ ]" 10
27 1 63 ILE HA 1 91 GLY QA 1.800 . 3.300 1.972 1.972 1.972 . 0 0 "[ ]" 10
28 1 62 GLU HA 1 92 PRO QD 1.800 . 3.300 3.323 3.323 3.323 0.023 1 0 "[ ]" 10
29 1 63 ILE HA 1 92 PRO QD 1.800 . 3.300 2.249 2.249 2.249 . 0 0 "[ ]" 10
30 1 91 GLY QA 1 92 PRO QD 1.800 . 5.000 2.037 2.037 2.037 . 0 0 "[ ]" 10
31 1 58 ARG HA 1 96 GLU HA 1.800 . 3.300 1.969 1.969 1.969 . 0 0 "[ ]" 10
32 1 56 SER HA 1 98 GLU HA 1.800 . 3.300 2.918 2.918 2.918 . 0 0 "[ ]" 10
33 1 54 LYS HA 1 100 LEU HA 1.800 . 3.300 2.490 2.490 2.490 . 0 0 "[ ]" 10
34 1 52 ARG HA 1 103 MET HA 1.800 . 3.300 2.836 2.836 2.836 . 0 0 "[ ]" 10
35 1 50 GLU HA 1 105 GLU HA 1.800 . 2.700 2.388 2.388 2.388 . 0 0 "[ ]" 10
36 1 106 ALA HA 1 107 PRO HD3 1.800 . 3.300 2.536 2.536 2.536 . 0 0 "[ ]" 10
37 1 106 ALA HA 1 107 PRO HD2 1.800 . 3.300 3.052 3.052 3.052 . 0 0 "[ ]" 10
38 1 110 MET HA 1 110 MET QG 1.800 . 5.000 2.303 2.303 2.303 . 0 0 "[ ]" 10
39 1 113 ARG HA 1 113 ARG QD 1.800 . 5.000 4.053 4.053 4.053 . 0 0 "[ ]" 10
40 1 75 ARG HA 1 116 TYR HA 1.800 . 3.300 3.220 3.220 3.220 . 0 0 "[ ]" 10
41 1 69 TYR HA 1 122 PHE HA 1.800 . 3.300 2.978 2.978 2.978 . 0 0 "[ ]" 10
42 1 67 MET HA 1 124 ASP HA 1.800 . 2.700 1.993 1.993 1.993 . 0 0 "[ ]" 10
43 1 67 MET HA 1 124 ASP HB3 1.800 . 5.000 3.464 3.464 3.464 . 0 0 "[ ]" 10
44 1 67 MET HA 1 124 ASP HB2 1.800 . 5.000 3.495 3.495 3.495 . 0 0 "[ ]" 10
45 1 126 ASP HA 1 126 ASP QB 1.800 . 2.700 2.520 2.520 2.520 . 0 0 "[ ]" 10
46 1 127 ARG HA 1 127 ARG QD 1.800 . 3.300 2.718 2.718 2.718 . 0 0 "[ ]" 10
47 1 123 THR HA 1 129 ASP HA 1.800 . 5.000 2.154 2.154 2.154 . 0 0 "[ ]" 10
48 1 121 ARG HA 1 132 SER HA 1.800 . 2.700 2.590 2.590 2.590 . 0 0 "[ ]" 10
49 1 121 ARG HA 1 132 SER QB 1.800 . 5.000 1.942 1.942 1.942 . 0 0 "[ ]" 10
50 1 119 LYS HA 1 134 GLU HA 1.800 . 3.300 2.982 2.982 2.982 . 0 0 "[ ]" 10
51 1 42 SER HA 1 136 ASN QB 1.800 . 3.300 2.812 2.812 2.812 . 0 0 "[ ]" 10
52 1 117 ASN HA 1 136 ASN HA 1.800 . 3.300 2.009 2.009 2.009 . 0 0 "[ ]" 10
53 1 44 VAL HA 1 138 THR HB 1.800 . 2.700 2.122 2.122 2.122 . 0 0 "[ ]" 10
54 1 115 SER HA 1 138 THR HA 1.800 . 2.700 1.979 1.979 1.979 . 0 0 "[ ]" 10
55 1 46 LYS HA 1 142 GLU HA 1.800 . 5.000 5.038 5.038 5.038 0.038 1 0 "[ ]" 10
56 1 143 TRP HA 1 143 TRP QB 1.800 . 2.700 2.194 2.194 2.194 . 0 0 "[ ]" 10
57 1 87 VAL HA 1 99 PHE QD 1.800 . 5.000 3.286 3.286 3.286 . 0 0 "[ ]" 10
58 1 87 VAL HA 1 99 PHE QE 1.800 . 5.000 2.394 2.394 2.394 . 0 0 "[ ]" 10
stop_
save_
save_distance_constraint_statistics_11
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 11
_Distance_constraint_stats_list.Constraint_count 98
_Distance_constraint_stats_list.Viol_count 12
_Distance_constraint_stats_list.Viol_total 0.480
_Distance_constraint_stats_list.Viol_max 0.112
_Distance_constraint_stats_list.Viol_rms 0.0189
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0400
_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 10 ASN 0.021 0.021 1 0 "[ ]"
1 12 VAL 0.013 0.013 1 0 "[ ]"
1 14 THR 0.000 0.000 . 0 "[ ]"
1 15 ARG 0.000 0.000 . 0 "[ ]"
1 16 LEU 0.000 0.000 . 0 "[ ]"
1 17 THR 0.000 0.000 . 0 "[ ]"
1 18 LEU 0.043 0.028 1 0 "[ ]"
1 19 VAL 0.000 0.000 . 0 "[ ]"
1 27 LEU 0.043 0.028 1 0 "[ ]"
1 29 LEU 0.000 0.000 . 0 "[ ]"
1 31 LEU 0.000 0.000 . 0 "[ ]"
1 43 PHE 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.000 0.000 . 0 "[ ]"
1 46 LYS 0.081 0.081 1 0 "[ ]"
1 47 GLU 0.000 0.000 . 0 "[ ]"
1 49 VAL 0.081 0.081 1 0 "[ ]"
1 51 TYR 0.008 0.008 1 0 "[ ]"
1 52 ARG 0.000 0.000 . 0 "[ ]"
1 53 ILE 0.109 0.109 1 0 "[ ]"
1 54 LYS 0.000 0.000 . 0 "[ ]"
1 55 ILE 0.000 0.000 . 0 "[ ]"
1 56 SER 0.000 0.000 . 0 "[ ]"
1 57 PHE 0.064 0.064 1 0 "[ ]"
1 58 ARG 0.013 0.013 1 0 "[ ]"
1 59 VAL 0.112 0.112 1 0 "[ ]"
1 60 ASN 0.021 0.021 1 0 "[ ]"
1 64 VAL 0.011 0.011 1 0 "[ ]"
1 67 MET 0.000 0.000 . 0 "[ ]"
1 68 LYS 0.000 0.000 . 0 "[ ]"
1 69 TYR 0.000 0.000 . 0 "[ ]"
1 70 ILE 0.007 0.007 1 0 "[ ]"
1 71 GLN 0.000 0.000 . 0 "[ ]"
1 72 HIS 0.000 0.000 . 0 "[ ]"
1 73 THR 0.000 0.000 . 0 "[ ]"
1 74 TYR 0.000 0.000 . 0 "[ ]"
1 75 ARG 0.000 0.000 . 0 "[ ]"
1 78 VAL 0.000 0.000 . 0 "[ ]"
1 81 ASP 0.000 0.000 . 0 "[ ]"
1 83 THR 0.000 0.000 . 0 "[ ]"
1 85 TYR 0.000 0.000 . 0 "[ ]"
1 88 GLY 0.000 0.000 . 0 "[ ]"
1 90 TYR 0.011 0.011 1 0 "[ ]"
1 95 GLU 0.112 0.112 1 0 "[ ]"
1 97 TYR 0.064 0.064 1 0 "[ ]"
1 99 PHE 0.000 0.000 . 0 "[ ]"
1 101 THR 0.109 0.109 1 0 "[ ]"
1 104 GLU 0.008 0.008 1 0 "[ ]"
1 114 GLY 0.000 0.000 . 0 "[ ]"
1 116 TYR 0.000 0.000 . 0 "[ ]"
1 117 ASN 0.000 0.000 . 0 "[ ]"
1 118 ILE 0.000 0.000 . 0 "[ ]"
1 119 LYS 0.000 0.000 . 0 "[ ]"
1 120 SER 0.011 0.011 1 0 "[ ]"
1 121 ARG 0.007 0.007 1 0 "[ ]"
1 122 PHE 0.000 0.000 . 0 "[ ]"
1 123 THR 0.000 0.000 . 0 "[ ]"
1 131 LEU 0.000 0.000 . 0 "[ ]"
1 133 TRP 0.011 0.011 1 0 "[ ]"
1 135 TRP 0.000 0.000 . 0 "[ ]"
1 137 LEU 0.000 0.000 . 0 "[ ]"
1 138 THR 0.000 0.000 . 0 "[ ]"
1 139 ILE 0.000 0.000 . 0 "[ ]"
1 140 LYS 0.000 0.000 . 0 "[ ]"
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 14 THR H 1 56 SER O 1.900 . 2.800 1.787 1.787 1.787 . 0 0 "[ ]" 11
2 1 14 THR N 1 56 SER O 2.800 2.400 3.500 2.585 2.585 2.585 . 0 0 "[ ]" 11
3 1 15 ARG H 1 56 SER O 1.900 . 2.800 2.537 2.537 2.537 . 0 0 "[ ]" 11
4 1 15 ARG N 1 56 SER O 2.800 2.400 3.500 3.448 3.448 3.448 . 0 0 "[ ]" 11
5 1 16 LEU H 1 29 LEU O 1.900 . 2.800 2.300 2.300 2.300 . 0 0 "[ ]" 11
6 1 16 LEU N 1 29 LEU O 2.800 2.400 3.500 3.140 3.140 3.140 . 0 0 "[ ]" 11
7 1 17 THR H 1 54 LYS O 1.900 . 2.800 1.939 1.939 1.939 . 0 0 "[ ]" 11
8 1 17 THR N 1 54 LYS O 2.800 2.400 3.500 2.909 2.909 2.909 . 0 0 "[ ]" 11
9 1 18 LEU H 1 27 LEU O 1.900 . 2.800 2.815 2.815 2.815 0.015 1 0 "[ ]" 11
10 1 18 LEU N 1 27 LEU O 2.800 2.400 3.500 3.276 3.276 3.276 . 0 0 "[ ]" 11
11 1 19 VAL H 1 52 ARG O 1.900 . 2.800 2.700 2.700 2.700 . 0 0 "[ ]" 11
12 1 19 VAL N 1 52 ARG O 2.800 2.400 3.500 3.389 3.389 3.389 . 0 0 "[ ]" 11
13 1 18 LEU O 1 27 LEU H 1.900 . 2.800 2.727 2.727 2.727 . 0 0 "[ ]" 11
14 1 18 LEU O 1 27 LEU N 2.800 2.400 3.500 3.528 3.528 3.528 0.028 1 0 "[ ]" 11
15 1 16 LEU O 1 29 LEU H 1.900 . 2.800 1.913 1.913 1.913 . 0 0 "[ ]" 11
16 1 16 LEU O 1 29 LEU N 2.800 2.400 3.500 2.840 2.840 2.840 . 0 0 "[ ]" 11
17 1 14 THR O 1 31 LEU H 1.900 . 2.800 2.404 2.404 2.404 . 0 0 "[ ]" 11
18 1 14 THR O 1 31 LEU N 2.800 2.400 3.500 3.288 3.288 3.288 . 0 0 "[ ]" 11
19 1 45 LEU H 1 138 THR O 1.900 . 2.800 1.853 1.853 1.853 . 0 0 "[ ]" 11
20 1 45 LEU N 1 138 THR O 2.800 2.400 3.500 2.659 2.659 2.659 . 0 0 "[ ]" 11
21 1 47 GLU H 1 140 LYS O 1.900 . 2.800 2.256 2.256 2.256 . 0 0 "[ ]" 11
22 1 47 GLU N 1 140 LYS O 2.800 2.400 3.500 2.790 2.790 2.790 . 0 0 "[ ]" 11
23 1 46 LYS O 1 49 VAL H 1.900 . 2.800 2.881 2.881 2.881 0.081 1 0 "[ ]" 11
24 1 46 LYS O 1 49 VAL N 2.800 2.400 3.500 3.439 3.439 3.439 . 0 0 "[ ]" 11
25 1 51 TYR H 1 104 GLU O 1.900 . 2.800 2.565 2.565 2.565 . 0 0 "[ ]" 11
26 1 51 TYR N 1 104 GLU O 2.800 2.400 3.500 3.508 3.508 3.508 0.008 1 0 "[ ]" 11
27 1 19 VAL O 1 52 ARG H 1.900 . 2.800 2.031 2.031 2.031 . 0 0 "[ ]" 11
28 1 19 VAL O 1 52 ARG N 2.800 2.400 3.500 2.946 2.946 2.946 . 0 0 "[ ]" 11
29 1 53 ILE H 1 101 THR O 1.900 . 2.800 2.740 2.740 2.740 . 0 0 "[ ]" 11
30 1 53 ILE N 1 101 THR O 2.800 2.400 3.500 3.609 3.609 3.609 0.109 1 0 "[ ]" 11
31 1 55 ILE H 1 99 PHE O 1.900 . 2.800 2.760 2.760 2.760 . 0 0 "[ ]" 11
32 1 55 ILE N 1 99 PHE O 2.800 2.400 3.500 3.384 3.384 3.384 . 0 0 "[ ]" 11
33 1 15 ARG O 1 56 SER H 1.900 . 2.800 2.162 2.162 2.162 . 0 0 "[ ]" 11
34 1 15 ARG O 1 56 SER N 2.800 2.400 3.500 3.095 3.095 3.095 . 0 0 "[ ]" 11
35 1 57 PHE H 1 97 TYR O 1.900 . 2.800 2.701 2.701 2.701 . 0 0 "[ ]" 11
36 1 57 PHE N 1 97 TYR O 2.800 2.400 3.500 3.564 3.564 3.564 0.064 1 0 "[ ]" 11
37 1 12 VAL O 1 58 ARG H 1.900 . 2.800 2.777 2.777 2.777 . 0 0 "[ ]" 11
38 1 12 VAL O 1 58 ARG N 2.800 2.400 3.500 3.513 3.513 3.513 0.013 1 0 "[ ]" 11
39 1 59 VAL H 1 95 GLU O 1.900 . 2.800 2.712 2.712 2.712 . 0 0 "[ ]" 11
40 1 59 VAL N 1 95 GLU O 2.800 2.400 3.500 3.612 3.612 3.612 0.112 1 0 "[ ]" 11
41 1 10 ASN O 1 60 ASN H 1.900 . 2.800 2.692 2.692 2.692 . 0 0 "[ ]" 11
42 1 10 ASN O 1 60 ASN N 2.800 2.400 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 11
43 1 64 VAL H 1 90 TYR O 1.900 . 2.800 2.365 2.365 2.365 . 0 0 "[ ]" 11
44 1 64 VAL N 1 90 TYR O 2.800 2.400 3.500 3.198 3.198 3.198 . 0 0 "[ ]" 11
45 1 67 MET H 1 88 GLY O 1.900 . 2.800 2.642 2.642 2.642 . 0 0 "[ ]" 11
46 1 67 MET N 1 88 GLY O 2.800 2.400 3.500 3.498 3.498 3.498 . 0 0 "[ ]" 11
47 1 68 LYS H 1 123 THR O 1.900 . 2.800 1.844 1.844 1.844 . 0 0 "[ ]" 11
48 1 68 LYS N 1 123 THR O 2.800 2.400 3.500 2.789 2.789 2.789 . 0 0 "[ ]" 11
49 1 69 TYR H 1 85 TYR O 1.900 . 2.800 1.849 1.849 1.849 . 0 0 "[ ]" 11
50 1 69 TYR N 1 85 TYR O 2.800 2.400 3.500 2.734 2.734 2.734 . 0 0 "[ ]" 11
51 1 70 ILE H 1 121 ARG O 1.900 . 2.800 2.542 2.542 2.542 . 0 0 "[ ]" 11
52 1 70 ILE N 1 121 ARG O 2.800 2.400 3.500 3.507 3.507 3.507 0.007 1 0 "[ ]" 11
53 1 71 GLN H 1 83 THR O 1.900 . 2.800 2.253 2.253 2.253 . 0 0 "[ ]" 11
54 1 71 GLN N 1 83 THR O 2.800 2.400 3.500 3.069 3.069 3.069 . 0 0 "[ ]" 11
55 1 72 HIS H 1 119 LYS O 1.900 . 2.800 1.708 1.708 1.708 . 0 0 "[ ]" 11
56 1 72 HIS N 1 119 LYS O 2.800 2.400 3.500 2.615 2.615 2.615 . 0 0 "[ ]" 11
57 1 73 THR H 1 81 ASP O 1.900 . 2.800 1.661 1.661 1.661 . 0 0 "[ ]" 11
58 1 73 THR N 1 81 ASP O 2.800 2.400 3.500 2.629 2.629 2.629 . 0 0 "[ ]" 11
59 1 74 TYR H 1 117 ASN O 1.900 . 2.800 2.004 2.004 2.004 . 0 0 "[ ]" 11
60 1 74 TYR N 1 117 ASN O 2.800 2.400 3.500 2.582 2.582 2.582 . 0 0 "[ ]" 11
61 1 75 ARG H 1 78 VAL O 1.900 . 2.800 1.759 1.759 1.759 . 0 0 "[ ]" 11
62 1 75 ARG N 1 78 VAL O 2.800 2.400 3.500 2.732 2.732 2.732 . 0 0 "[ ]" 11
63 1 69 TYR O 1 85 TYR H 1.900 . 2.800 1.633 1.633 1.633 . 0 0 "[ ]" 11
64 1 69 TYR O 1 85 TYR N 2.800 2.400 3.500 2.591 2.591 2.591 . 0 0 "[ ]" 11
65 1 64 VAL O 1 90 TYR H 1.900 . 2.800 2.616 2.616 2.616 . 0 0 "[ ]" 11
66 1 64 VAL O 1 90 TYR N 2.800 2.400 3.500 3.511 3.511 3.511 0.011 1 0 "[ ]" 11
67 1 55 ILE O 1 99 PHE H 1.900 . 2.800 1.904 1.904 1.904 . 0 0 "[ ]" 11
68 1 55 ILE O 1 99 PHE N 2.800 2.400 3.500 2.834 2.834 2.834 . 0 0 "[ ]" 11
69 1 53 ILE O 1 101 THR H 1.900 . 2.800 1.930 1.930 1.930 . 0 0 "[ ]" 11
70 1 53 ILE O 1 101 THR N 2.800 2.400 3.500 2.839 2.839 2.839 . 0 0 "[ ]" 11
71 1 116 TYR H 1 137 LEU O 1.900 . 2.800 2.203 2.203 2.203 . 0 0 "[ ]" 11
72 1 116 TYR N 1 137 LEU O 2.800 2.400 3.500 2.905 2.905 2.905 . 0 0 "[ ]" 11
73 1 74 TYR O 1 117 ASN H 1.900 . 2.800 2.646 2.646 2.646 . 0 0 "[ ]" 11
74 1 74 TYR O 1 117 ASN N 2.800 2.400 3.500 2.960 2.960 2.960 . 0 0 "[ ]" 11
75 1 118 ILE H 1 135 TRP O 1.900 . 2.800 1.950 1.950 1.950 . 0 0 "[ ]" 11
76 1 118 ILE N 1 135 TRP O 2.800 2.400 3.500 2.825 2.825 2.825 . 0 0 "[ ]" 11
77 1 72 HIS O 1 119 LYS H 1.900 . 2.800 1.833 1.833 1.833 . 0 0 "[ ]" 11
78 1 72 HIS O 1 119 LYS N 2.800 2.400 3.500 2.727 2.727 2.727 . 0 0 "[ ]" 11
79 1 120 SER H 1 133 TRP O 1.900 . 2.800 2.641 2.641 2.641 . 0 0 "[ ]" 11
80 1 120 SER N 1 133 TRP O 2.800 2.400 3.500 3.511 3.511 3.511 0.011 1 0 "[ ]" 11
81 1 70 ILE O 1 121 ARG H 1.900 . 2.800 2.609 2.609 2.609 . 0 0 "[ ]" 11
82 1 70 ILE O 1 121 ARG N 2.800 2.400 3.500 3.360 3.360 3.360 . 0 0 "[ ]" 11
83 1 122 PHE H 1 131 LEU O 1.900 . 2.800 1.720 1.720 1.720 . 0 0 "[ ]" 11
84 1 122 PHE N 1 131 LEU O 2.800 2.400 3.500 2.593 2.593 2.593 . 0 0 "[ ]" 11
85 1 68 LYS O 1 123 THR H 1.900 . 2.800 2.442 2.442 2.442 . 0 0 "[ ]" 11
86 1 68 LYS O 1 123 THR N 2.800 2.400 3.500 3.305 3.305 3.305 . 0 0 "[ ]" 11
87 1 120 SER O 1 133 TRP H 1.900 . 2.800 2.377 2.377 2.377 . 0 0 "[ ]" 11
88 1 120 SER O 1 133 TRP N 2.800 2.400 3.500 3.212 3.212 3.212 . 0 0 "[ ]" 11
89 1 118 ILE O 1 135 TRP H 1.900 . 2.800 2.594 2.594 2.594 . 0 0 "[ ]" 11
90 1 118 ILE O 1 135 TRP N 2.800 2.400 3.500 3.399 3.399 3.399 . 0 0 "[ ]" 11
91 1 116 TYR O 1 137 LEU H 1.900 . 2.800 1.891 1.891 1.891 . 0 0 "[ ]" 11
92 1 116 TYR O 1 137 LEU N 2.800 2.400 3.500 2.765 2.765 2.765 . 0 0 "[ ]" 11
93 1 43 PHE O 1 138 THR H 1.900 . 2.800 1.981 1.981 1.981 . 0 0 "[ ]" 11
94 1 43 PHE O 1 138 THR N 2.800 2.400 3.500 2.598 2.598 2.598 . 0 0 "[ ]" 11
95 1 114 GLY O 1 139 ILE H 1.900 . 2.800 1.834 1.834 1.834 . 0 0 "[ ]" 11
96 1 114 GLY O 1 139 ILE N 2.800 2.400 3.500 2.770 2.770 2.770 . 0 0 "[ ]" 11
97 1 45 LEU O 1 140 LYS H 1.900 . 2.800 2.209 2.209 2.209 . 0 0 "[ ]" 11
98 1 45 LEU O 1 140 LYS N 2.800 2.400 3.500 2.586 2.586 2.586 . 0 0 "[ ]" 11
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