NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
588113 |
2mnh   |
19892 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mnh
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 58
_Distance_constraint_stats_list.Viol_count 285
_Distance_constraint_stats_list.Viol_total 266.524
_Distance_constraint_stats_list.Viol_max 0.394
_Distance_constraint_stats_list.Viol_rms 0.0749
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0460
_Distance_constraint_stats_list.Viol_average_violations_only 0.0935
_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 2 THR 0.052 0.052 1 0 "[ . 1]"
1 3 SER 0.806 0.116 5 0 "[ . 1]"
1 4 THR 0.000 0.000 . 0 "[ . 1]"
1 5 VAL 0.016 0.016 6 0 "[ . 1]"
1 6 THR 0.000 0.000 . 0 "[ . 1]"
1 7 GLY 0.195 0.044 4 0 "[ . 1]"
1 8 GLY 0.043 0.043 4 0 "[ . 1]"
1 9 TYR 0.659 0.115 8 0 "[ . 1]"
1 10 ALA 1.608 0.229 7 0 "[ . 1]"
1 12 SER 0.133 0.045 8 0 "[ . 1]"
1 13 ASP 0.408 0.091 4 0 "[ . 1]"
1 14 ALA 1.632 0.388 4 0 "[ . 1]"
1 15 GLN 1.632 0.388 4 0 "[ . 1]"
1 21 MET 0.133 0.045 8 0 "[ . 1]"
1 22 GLY 0.516 0.095 5 0 "[ . 1]"
1 23 GLY 1.608 0.229 7 0 "[ . 1]"
1 24 PHE 0.443 0.090 10 0 "[ . 1]"
1 25 ASN 0.043 0.043 4 0 "[ . 1]"
1 26 LEU 0.965 0.146 3 0 "[ . 1]"
1 27 LYS 0.000 0.000 . 0 "[ . 1]"
1 28 TYR 0.042 0.026 4 0 "[ . 1]"
1 29 ARG 0.000 0.000 . 0 "[ . 1]"
1 30 TYR 0.069 0.030 4 0 "[ . 1]"
1 31 GLU 0.052 0.052 1 0 "[ . 1]"
1 32 GLU 0.421 0.093 3 0 "[ . 1]"
1 33 ASP 0.000 0.000 . 0 "[ . 1]"
1 34 ASN 0.421 0.093 3 0 "[ . 1]"
1 35 SER 0.000 0.000 . 0 "[ . 1]"
1 38 GLY 0.167 0.059 8 0 "[ . 1]"
1 39 VAL 0.069 0.030 4 0 "[ . 1]"
1 40 ILE 0.021 0.021 3 0 "[ . 1]"
1 41 GLY 0.042 0.026 4 0 "[ . 1]"
1 42 SER 0.094 0.047 4 0 "[ . 1]"
1 43 PHE 0.965 0.146 3 0 "[ . 1]"
1 44 THR 0.871 0.135 5 0 "[ . 1]"
1 45 TYR 0.787 0.090 10 0 "[ . 1]"
1 46 THR 0.513 0.072 8 0 "[ . 1]"
1 47 GLU 0.516 0.095 5 0 "[ . 1]"
1 61 GLN 0.162 0.066 10 0 "[ . 1]"
1 62 TYR 0.170 0.055 6 0 "[ . 1]"
1 63 TYR 1.558 0.209 6 0 "[ . 1]"
1 64 GLY 0.871 0.135 5 0 "[ . 1]"
1 65 ILE 1.094 0.176 2 0 "[ . 1]"
1 66 THR 0.094 0.047 4 0 "[ . 1]"
1 67 ALA 0.006 0.006 4 0 "[ . 1]"
1 68 GLY 0.021 0.021 3 0 "[ . 1]"
1 70 ALA 0.167 0.059 8 0 "[ . 1]"
1 71 TYR 1.152 0.166 4 0 "[ . 1]"
1 73 ILE 0.478 0.163 9 0 "[ . 1]"
1 74 ASN 0.478 0.163 9 0 "[ . 1]"
1 78 SER 0.000 0.000 . 0 "[ . 1]"
1 79 ILE 1.152 0.166 4 0 "[ . 1]"
1 80 TYR 0.391 0.071 8 0 "[ . 1]"
1 82 VAL 0.154 0.042 7 0 "[ . 1]"
1 83 VAL 0.006 0.006 4 0 "[ . 1]"
1 84 GLY 3.557 0.343 5 0 "[ . 1]"
1 85 VAL 4.293 0.343 5 0 "[ . 1]"
1 86 GLY 0.000 0.000 . 0 "[ . 1]"
1 87 TYR 1.558 0.209 6 0 "[ . 1]"
1 88 GLY 0.067 0.052 7 0 "[ . 1]"
1 89 LYS 0.162 0.066 10 0 "[ . 1]"
1 104 ASP 0.067 0.052 7 0 "[ . 1]"
1 106 GLY 0.000 0.000 . 0 "[ . 1]"
1 107 PHE 0.134 0.047 9 0 "[ . 1]"
1 108 SER 0.358 0.091 5 0 "[ . 1]"
1 109 TYR 0.000 0.000 . 0 "[ . 1]"
1 110 GLY 0.154 0.042 7 0 "[ . 1]"
1 111 ALA 0.010 0.010 6 0 "[ . 1]"
1 112 GLY 0.391 0.071 8 0 "[ . 1]"
1 113 LEU 0.668 0.143 10 0 "[ . 1]"
1 114 GLN 0.000 0.000 . 0 "[ . 1]"
1 115 PHE 0.858 0.142 8 0 "[ . 1]"
1 118 MET 2.853 0.394 10 0 "[ . 1]"
1 119 GLU 2.853 0.394 10 0 "[ . 1]"
1 120 ASN 0.000 0.000 . 0 "[ . 1]"
1 121 VAL 0.000 0.000 . 0 "[ . 1]"
1 122 ALA 0.000 0.000 . 0 "[ . 1]"
1 123 LEU 0.858 0.142 8 0 "[ . 1]"
1 124 ASP 0.027 0.027 1 0 "[ . 1]"
1 125 PHE 0.668 0.143 10 0 "[ . 1]"
1 127 TYR 0.010 0.010 6 0 "[ . 1]"
1 129 GLN 0.000 0.000 . 0 "[ . 1]"
1 130 SER 0.259 0.044 10 0 "[ . 1]"
1 131 ARG 0.134 0.047 9 0 "[ . 1]"
1 132 ILE 1.626 0.232 8 0 "[ . 1]"
1 133 ARG 0.511 0.112 6 0 "[ . 1]"
1 134 SER 1.626 0.232 8 0 "[ . 1]"
1 135 VAL 0.511 0.112 6 0 "[ . 1]"
1 136 ASP 1.415 0.178 4 0 "[ . 1]"
1 137 VAL 1.673 0.178 4 0 "[ . 1]"
1 138 GLY 0.408 0.091 4 0 "[ . 1]"
1 142 ALA 0.659 0.115 8 0 "[ . 1]"
1 143 GLY 0.027 0.027 1 0 "[ . 1]"
1 144 VAL 0.195 0.044 4 0 "[ . 1]"
1 145 GLY 0.000 0.000 . 0 "[ . 1]"
1 146 TYR 0.016 0.016 6 0 "[ . 1]"
1 147 ARG 0.000 0.000 . 0 "[ . 1]"
1 148 PHE 0.806 0.116 5 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR H 1 31 GLU H 4.000 . 4.000 3.135 2.452 4.052 0.052 1 0 "[ . 1]" 1
2 1 3 SER H 1 148 PHE H 3.200 . 3.200 3.281 3.258 3.316 0.116 5 0 "[ . 1]" 1
3 1 4 THR H 1 29 ARG H 3.200 . 3.200 2.803 2.464 3.085 . 0 0 "[ . 1]" 1
4 1 5 VAL H 1 146 TYR H 2.800 . 2.800 2.732 2.606 2.816 0.016 6 0 "[ . 1]" 1
5 1 6 THR H 1 27 LYS H 3.200 . 3.200 2.834 2.522 3.183 . 0 0 "[ . 1]" 1
6 1 7 GLY H 1 144 VAL H 2.800 . 2.800 2.818 2.789 2.844 0.044 4 0 "[ . 1]" 1
7 1 8 GLY H 1 25 ASN H 2.800 . 2.800 2.554 2.325 2.843 0.043 4 0 "[ . 1]" 1
8 1 9 TYR H 1 142 ALA H 3.200 . 3.200 3.266 3.232 3.315 0.115 8 0 "[ . 1]" 1
9 1 10 ALA H 1 23 GLY H 2.300 . 2.300 2.461 2.392 2.529 0.229 7 0 "[ . 1]" 1
10 1 12 SER H 1 21 MET H 2.800 . 2.800 2.673 2.224 2.845 0.045 8 0 "[ . 1]" 1
11 1 13 ASP H 1 14 ALA H 5.000 . 5.000 4.538 4.189 4.675 . 0 0 "[ . 1]" 1
12 1 13 ASP H 1 138 GLY H 2.800 . 2.800 2.830 2.704 2.891 0.091 4 0 "[ . 1]" 1
13 1 14 ALA H 1 15 GLN H 4.000 . 4.000 4.148 3.849 4.388 0.388 4 0 "[ . 1]" 1
14 1 15 GLN H 1 136 ASP H 4.000 . 4.000 3.399 3.083 3.956 . 0 0 "[ . 1]" 1
15 1 22 GLY H 1 47 GLU H 2.800 . 2.800 2.852 2.804 2.895 0.095 5 0 "[ . 1]" 1
16 1 24 PHE H 1 45 TYR H 2.800 . 2.800 2.843 2.788 2.890 0.090 10 0 "[ . 1]" 1
17 1 26 LEU H 1 43 PHE H 2.800 . 2.800 2.897 2.829 2.946 0.146 3 0 "[ . 1]" 1
18 1 28 TYR H 1 41 GLY H 2.800 . 2.800 2.688 2.423 2.826 0.026 4 0 "[ . 1]" 1
19 1 30 TYR H 1 39 VAL H 3.200 . 3.200 3.022 2.807 3.230 0.030 4 0 "[ . 1]" 1
20 1 32 GLU H 1 34 ASN H 5.000 . 5.000 4.994 4.730 5.093 0.093 3 0 "[ . 1]" 1
21 1 33 ASP H 1 35 SER H 5.000 . 5.000 4.579 4.091 4.809 . 0 0 "[ . 1]" 1
22 1 34 ASN H 1 35 SER H 4.000 . 4.000 2.787 2.691 2.856 . 0 0 "[ . 1]" 1
23 1 38 GLY H 1 70 ALA H 2.800 . 2.800 2.742 2.550 2.859 0.059 8 0 "[ . 1]" 1
24 1 40 ILE H 1 68 GLY H 2.800 . 2.800 2.571 2.316 2.821 0.021 3 0 "[ . 1]" 1
25 1 42 SER H 1 66 THR H 3.200 . 3.200 3.074 2.664 3.247 0.047 4 0 "[ . 1]" 1
26 1 44 THR H 1 64 GLY H 2.800 . 2.800 2.887 2.804 2.935 0.135 5 0 "[ . 1]" 1
27 1 45 TYR H 1 46 THR H 4.000 . 4.000 4.033 3.985 4.072 0.072 8 0 "[ . 1]" 1
28 1 46 THR H 1 62 TYR H 3.200 . 3.200 3.121 2.833 3.255 0.055 6 0 "[ . 1]" 1
29 1 61 GLN H 1 89 LYS H 2.800 . 2.800 2.678 2.039 2.866 0.066 10 0 "[ . 1]" 1
30 1 63 TYR H 1 87 TYR H 2.800 . 2.800 2.956 2.901 3.009 0.209 6 0 "[ . 1]" 1
31 1 65 ILE H 1 85 VAL H 2.800 . 2.800 2.909 2.826 2.976 0.176 2 0 "[ . 1]" 1
32 1 67 ALA H 1 83 VAL H 2.800 . 2.800 2.305 1.816 2.806 0.006 4 0 "[ . 1]" 1
33 1 71 TYR H 1 79 ILE H 2.800 . 2.800 2.915 2.842 2.966 0.166 4 0 "[ . 1]" 1
34 1 73 ILE H 1 74 ASN H 4.000 . 4.000 3.175 1.977 4.163 0.163 9 0 "[ . 1]" 1
35 1 78 SER H 1 114 GLN H 3.200 . 3.200 2.454 2.154 2.837 . 0 0 "[ . 1]" 1
36 1 80 TYR H 1 112 GLY H 2.800 . 2.800 2.837 2.779 2.871 0.071 8 0 "[ . 1]" 1
37 1 82 VAL H 1 110 GLY H 2.800 . 2.800 2.789 2.701 2.842 0.042 7 0 "[ . 1]" 1
38 1 84 GLY H 1 85 VAL H 4.000 . 4.000 4.320 4.292 4.343 0.343 5 0 "[ . 1]" 1
39 1 84 GLY H 1 108 SER H 2.800 . 2.800 2.828 2.737 2.891 0.091 5 0 "[ . 1]" 1
40 1 86 GLY H 1 106 GLY H 2.800 . 2.800 2.514 2.245 2.768 . 0 0 "[ . 1]" 1
41 1 88 GLY H 1 104 ASP H 3.200 . 3.200 3.009 2.721 3.252 0.052 7 0 "[ . 1]" 1
42 1 107 PHE H 1 131 ARG H 3.200 . 3.200 3.093 2.496 3.247 0.047 9 0 "[ . 1]" 1
43 1 109 TYR H 1 129 GLN H 3.200 . 3.200 2.764 2.623 2.966 . 0 0 "[ . 1]" 1
44 1 111 ALA H 1 127 TYR H 3.200 . 3.200 2.916 2.772 3.210 0.010 6 0 "[ . 1]" 1
45 1 113 LEU H 1 125 PHE H 2.800 . 2.800 2.867 2.839 2.943 0.143 10 0 "[ . 1]" 1
46 1 115 PHE H 1 123 LEU H 2.800 . 2.800 2.886 2.821 2.942 0.142 8 0 "[ . 1]" 1
47 1 118 MET H 1 119 GLU H 4.000 . 4.000 4.285 4.223 4.394 0.394 10 0 "[ . 1]" 1
48 1 120 ASN H 1 121 VAL H 3.200 . 3.200 2.460 2.363 2.663 . 0 0 "[ . 1]" 1
49 1 122 ALA H 1 145 GLY H 2.800 . 2.800 2.432 2.082 2.688 . 0 0 "[ . 1]" 1
50 1 124 ASP H 1 143 GLY H 2.800 . 2.800 2.646 2.459 2.827 0.027 1 0 "[ . 1]" 1
51 1 130 SER H 1 137 VAL H 3.200 . 3.200 3.219 3.140 3.244 0.044 10 0 "[ . 1]" 1
52 1 132 ILE H 1 133 ARG H 4.000 . 4.000 3.225 2.733 3.866 . 0 0 "[ . 1]" 1
53 1 132 ILE H 1 134 SER H 4.000 . 4.000 4.163 4.105 4.232 0.232 8 0 "[ . 1]" 1
54 1 132 ILE H 1 135 VAL H 3.200 . 3.200 2.798 2.609 3.135 . 0 0 "[ . 1]" 1
55 1 133 ARG H 1 135 VAL H 4.000 . 4.000 4.049 3.979 4.112 0.112 6 0 "[ . 1]" 1
56 1 134 SER H 1 135 VAL H 3.200 . 3.200 2.197 2.084 2.358 . 0 0 "[ . 1]" 1
57 1 136 ASP H 1 137 VAL H 4.000 . 4.000 4.141 4.101 4.178 0.178 4 0 "[ . 1]" 1
58 1 147 ARG H 1 148 PHE H 5.000 . 5.000 4.286 4.253 4.339 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 168
_Distance_constraint_stats_list.Viol_count 408
_Distance_constraint_stats_list.Viol_total 146.639
_Distance_constraint_stats_list.Viol_max 0.161
_Distance_constraint_stats_list.Viol_rms 0.0211
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.0359
_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 0.141 0.041 5 0 "[ . 1]"
1 4 THR 0.488 0.085 7 0 "[ . 1]"
1 5 VAL 0.073 0.029 2 0 "[ . 1]"
1 6 THR 0.229 0.044 2 0 "[ . 1]"
1 7 GLY 0.117 0.059 4 0 "[ . 1]"
1 8 GLY 0.030 0.020 5 0 "[ . 1]"
1 9 TYR 0.491 0.072 7 0 "[ . 1]"
1 10 ALA 0.051 0.037 10 0 "[ . 1]"
1 12 SER 0.314 0.043 9 0 "[ . 1]"
1 13 ASP 0.428 0.103 10 0 "[ . 1]"
1 15 GLN 1.714 0.151 10 0 "[ . 1]"
1 21 MET 0.314 0.043 9 0 "[ . 1]"
1 22 GLY 0.684 0.091 4 0 "[ . 1]"
1 23 GLY 0.051 0.037 10 0 "[ . 1]"
1 24 PHE 0.116 0.046 8 0 "[ . 1]"
1 25 ASN 0.030 0.020 5 0 "[ . 1]"
1 26 LEU 0.040 0.033 5 0 "[ . 1]"
1 27 LYS 0.229 0.044 2 0 "[ . 1]"
1 28 TYR 0.100 0.036 7 0 "[ . 1]"
1 29 ARG 0.488 0.085 7 0 "[ . 1]"
1 30 TYR 0.143 0.046 7 0 "[ . 1]"
1 38 GLY 0.885 0.110 9 0 "[ . 1]"
1 39 VAL 0.143 0.046 7 0 "[ . 1]"
1 40 ILE 0.118 0.039 9 0 "[ . 1]"
1 41 GLY 0.100 0.036 7 0 "[ . 1]"
1 42 SER 0.112 0.040 3 0 "[ . 1]"
1 43 PHE 0.040 0.033 5 0 "[ . 1]"
1 44 THR 0.236 0.080 3 0 "[ . 1]"
1 45 TYR 0.116 0.046 8 0 "[ . 1]"
1 46 THR 0.153 0.051 10 0 "[ . 1]"
1 47 GLU 0.684 0.091 4 0 "[ . 1]"
1 61 GLN 0.672 0.077 7 0 "[ . 1]"
1 62 TYR 0.153 0.051 10 0 "[ . 1]"
1 63 TYR 0.204 0.117 6 0 "[ . 1]"
1 64 GLY 0.236 0.080 3 0 "[ . 1]"
1 65 ILE 0.225 0.056 5 0 "[ . 1]"
1 66 THR 0.112 0.040 3 0 "[ . 1]"
1 67 ALA 0.098 0.038 10 0 "[ . 1]"
1 68 GLY 0.118 0.039 9 0 "[ . 1]"
1 69 PRO 0.083 0.062 3 0 "[ . 1]"
1 70 ALA 0.885 0.110 9 0 "[ . 1]"
1 71 TYR 0.131 0.036 8 0 "[ . 1]"
1 78 SER 0.799 0.089 4 0 "[ . 1]"
1 79 ILE 0.131 0.036 8 0 "[ . 1]"
1 80 TYR 0.103 0.074 10 0 "[ . 1]"
1 81 GLY 0.083 0.062 3 0 "[ . 1]"
1 82 VAL 0.387 0.055 10 0 "[ . 1]"
1 83 VAL 0.098 0.038 10 0 "[ . 1]"
1 84 GLY 0.176 0.045 10 0 "[ . 1]"
1 85 VAL 0.225 0.056 5 0 "[ . 1]"
1 86 GLY 0.124 0.035 3 0 "[ . 1]"
1 87 TYR 0.204 0.117 6 0 "[ . 1]"
1 88 GLY 0.672 0.089 6 0 "[ . 1]"
1 89 LYS 0.672 0.077 7 0 "[ . 1]"
1 104 ASP 0.672 0.089 6 0 "[ . 1]"
1 106 GLY 0.124 0.035 3 0 "[ . 1]"
1 107 PHE 0.813 0.125 7 0 "[ . 1]"
1 108 SER 0.176 0.045 10 0 "[ . 1]"
1 109 TYR 0.069 0.030 10 0 "[ . 1]"
1 110 GLY 0.387 0.055 10 0 "[ . 1]"
1 111 ALA 0.320 0.053 10 0 "[ . 1]"
1 112 GLY 0.103 0.074 10 0 "[ . 1]"
1 113 LEU 0.011 0.011 10 0 "[ . 1]"
1 114 GLN 0.799 0.089 4 0 "[ . 1]"
1 115 PHE 0.394 0.111 8 0 "[ . 1]"
1 122 ALA 0.349 0.039 3 0 "[ . 1]"
1 123 LEU 0.394 0.111 8 0 "[ . 1]"
1 124 ASP 1.127 0.097 9 0 "[ . 1]"
1 125 PHE 0.011 0.011 10 0 "[ . 1]"
1 126 SER 0.071 0.042 4 0 "[ . 1]"
1 127 TYR 0.320 0.053 10 0 "[ . 1]"
1 129 GLN 0.069 0.030 10 0 "[ . 1]"
1 130 SER 0.000 0.000 . 0 "[ . 1]"
1 131 ARG 0.813 0.125 7 0 "[ . 1]"
1 132 ILE 1.173 0.161 9 0 "[ . 1]"
1 135 VAL 1.173 0.161 9 0 "[ . 1]"
1 136 ASP 1.714 0.151 10 0 "[ . 1]"
1 137 VAL 0.000 0.000 . 0 "[ . 1]"
1 138 GLY 0.428 0.103 10 0 "[ . 1]"
1 141 ILE 0.071 0.042 4 0 "[ . 1]"
1 142 ALA 0.491 0.072 7 0 "[ . 1]"
1 143 GLY 1.127 0.097 9 0 "[ . 1]"
1 144 VAL 0.117 0.059 4 0 "[ . 1]"
1 145 GLY 0.349 0.039 3 0 "[ . 1]"
1 146 TYR 0.073 0.029 2 0 "[ . 1]"
1 148 PHE 0.141 0.041 5 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 THR H 1 29 ARG O 2.600 . 2.600 2.632 2.534 2.685 0.085 7 0 "[ . 1]" 2
2 1 4 THR N 1 29 ARG O 3.500 2.600 3.500 3.366 3.169 3.462 . 0 0 "[ . 1]" 2
3 1 4 THR O 1 29 ARG H 2.600 . 2.600 2.474 2.210 2.633 0.033 6 0 "[ . 1]" 2
4 1 4 THR O 1 29 ARG N 3.500 2.600 3.500 3.347 3.168 3.535 0.035 5 0 "[ . 1]" 2
5 1 6 THR H 1 27 LYS O 2.600 . 2.600 2.572 2.444 2.644 0.044 2 0 "[ . 1]" 2
6 1 6 THR N 1 27 LYS O 3.500 2.600 3.500 3.408 3.288 3.527 0.027 2 0 "[ . 1]" 2
7 1 6 THR O 1 27 LYS H 2.600 . 2.600 2.172 1.780 2.506 0.020 5 0 "[ . 1]" 2
8 1 6 THR O 1 27 LYS N 3.500 2.600 3.500 2.889 2.635 3.131 . 0 0 "[ . 1]" 2
9 1 8 GLY H 1 25 ASN O 2.600 . 2.600 2.386 2.273 2.454 . 0 0 "[ . 1]" 2
10 1 8 GLY N 1 25 ASN O 3.500 2.600 3.500 3.176 3.073 3.296 . 0 0 "[ . 1]" 2
11 1 8 GLY O 1 25 ASN H 2.600 . 2.600 2.421 1.926 2.596 . 0 0 "[ . 1]" 2
12 1 8 GLY O 1 25 ASN N 3.500 2.600 3.500 3.329 2.831 3.520 0.020 5 0 "[ . 1]" 2
13 1 10 ALA H 1 23 GLY O 2.600 . 2.600 2.181 1.855 2.596 . 0 0 "[ . 1]" 2
14 1 10 ALA N 1 23 GLY O 3.500 2.600 3.500 2.998 2.621 3.423 . 0 0 "[ . 1]" 2
15 1 10 ALA O 1 23 GLY H 2.600 . 2.600 2.389 2.123 2.637 0.037 10 0 "[ . 1]" 2
16 1 10 ALA O 1 23 GLY N 3.500 2.600 3.500 3.162 2.735 3.514 0.014 10 0 "[ . 1]" 2
17 1 12 SER H 1 21 MET O 2.600 . 2.600 2.425 2.144 2.632 0.032 7 0 "[ . 1]" 2
18 1 12 SER N 1 21 MET O 3.500 2.600 3.500 3.297 2.989 3.494 . 0 0 "[ . 1]" 2
19 1 12 SER O 1 21 MET H 2.600 . 2.600 2.571 2.430 2.624 0.024 4 0 "[ . 1]" 2
20 1 12 SER O 1 21 MET N 3.500 2.600 3.500 3.478 3.330 3.543 0.043 9 0 "[ . 1]" 2
21 1 3 SER O 1 148 PHE H 2.600 . 2.600 1.829 1.759 2.070 0.041 5 0 "[ . 1]" 2
22 1 3 SER O 1 148 PHE N 3.500 2.600 3.500 2.791 2.724 3.020 . 0 0 "[ . 1]" 2
23 1 5 VAL H 1 146 TYR O 2.600 . 2.600 2.150 1.949 2.542 . 0 0 "[ . 1]" 2
24 1 5 VAL N 1 146 TYR O 3.500 2.600 3.500 3.033 2.797 3.413 . 0 0 "[ . 1]" 2
25 1 5 VAL O 1 146 TYR H 2.600 . 2.600 1.887 1.771 2.151 0.029 2 0 "[ . 1]" 2
26 1 5 VAL O 1 146 TYR N 3.500 2.600 3.500 2.801 2.682 3.035 . 0 0 "[ . 1]" 2
27 1 7 GLY H 1 144 VAL O 2.600 . 2.600 2.599 2.510 2.659 0.059 4 0 "[ . 1]" 2
28 1 7 GLY N 1 144 VAL O 3.500 2.600 3.500 3.346 3.233 3.447 . 0 0 "[ . 1]" 2
29 1 7 GLY O 1 144 VAL H 2.600 . 2.600 2.140 2.050 2.241 . 0 0 "[ . 1]" 2
30 1 7 GLY O 1 144 VAL N 3.500 2.600 3.500 3.050 2.975 3.158 . 0 0 "[ . 1]" 2
31 1 9 TYR H 1 142 ALA O 2.600 . 2.600 2.446 2.330 2.534 . 0 0 "[ . 1]" 2
32 1 9 TYR N 1 142 ALA O 3.500 2.600 3.500 3.335 3.215 3.463 . 0 0 "[ . 1]" 2
33 1 9 TYR O 1 142 ALA H 2.600 . 2.600 2.599 2.548 2.612 0.012 5 0 "[ . 1]" 2
34 1 9 TYR O 1 142 ALA N 3.500 2.600 3.500 3.537 3.428 3.572 0.072 7 0 "[ . 1]" 2
35 1 13 ASP H 1 138 GLY O 2.600 . 2.600 2.390 1.867 2.623 0.023 10 0 "[ . 1]" 2
36 1 13 ASP N 1 138 GLY O 3.500 2.600 3.500 3.232 2.724 3.468 . 0 0 "[ . 1]" 2
37 1 13 ASP O 1 138 GLY H 2.600 . 2.600 2.159 1.697 2.663 0.103 10 0 "[ . 1]" 2
38 1 13 ASP O 1 138 GLY N 3.500 2.600 3.500 3.025 2.636 3.433 . 0 0 "[ . 1]" 2
39 1 15 GLN H 1 136 ASP O 2.600 . 2.600 2.095 1.750 2.604 0.050 3 0 "[ . 1]" 2
40 1 15 GLN N 1 136 ASP O 3.500 2.600 3.500 2.996 2.695 3.457 . 0 0 "[ . 1]" 2
41 1 15 GLN O 1 136 ASP H 2.600 . 2.600 2.658 2.627 2.684 0.084 10 0 "[ . 1]" 2
42 1 15 GLN O 1 136 ASP N 3.500 2.600 3.500 3.601 3.512 3.651 0.151 10 0 "[ . 1]" 2
43 1 22 GLY H 1 47 GLU O 2.600 . 2.600 2.556 2.411 2.636 0.036 7 0 "[ . 1]" 2
44 1 22 GLY N 1 47 GLU O 3.500 2.600 3.500 3.496 3.320 3.581 0.081 7 0 "[ . 1]" 2
45 1 22 GLY O 1 47 GLU H 2.600 . 2.600 2.555 2.304 2.691 0.091 4 0 "[ . 1]" 2
46 1 22 GLY O 1 47 GLU N 3.500 2.600 3.500 3.441 3.228 3.553 0.053 2 0 "[ . 1]" 2
47 1 24 PHE H 1 45 TYR O 2.600 . 2.600 2.489 2.203 2.646 0.046 8 0 "[ . 1]" 2
48 1 24 PHE N 1 45 TYR O 3.500 2.600 3.500 3.345 3.054 3.501 0.001 8 0 "[ . 1]" 2
49 1 24 PHE O 1 45 TYR H 2.600 . 2.600 2.420 2.178 2.630 0.030 8 0 "[ . 1]" 2
50 1 24 PHE O 1 45 TYR N 3.500 2.600 3.500 3.324 3.096 3.512 0.012 8 0 "[ . 1]" 2
51 1 26 LEU H 1 43 PHE O 2.600 . 2.600 2.441 1.881 2.633 0.033 5 0 "[ . 1]" 2
52 1 26 LEU N 1 43 PHE O 3.500 2.600 3.500 3.342 2.826 3.506 0.006 5 0 "[ . 1]" 2
53 1 26 LEU O 1 43 PHE H 2.600 . 2.600 2.297 1.865 2.577 . 0 0 "[ . 1]" 2
54 1 26 LEU O 1 43 PHE N 3.500 2.600 3.500 3.208 2.815 3.494 . 0 0 "[ . 1]" 2
55 1 28 TYR H 1 41 GLY O 2.600 . 2.600 2.078 1.790 2.364 0.010 6 0 "[ . 1]" 2
56 1 28 TYR N 1 41 GLY O 3.500 2.600 3.500 2.964 2.696 3.201 . 0 0 "[ . 1]" 2
57 1 28 TYR O 1 41 GLY H 2.600 . 2.600 1.984 1.764 2.219 0.036 7 0 "[ . 1]" 2
58 1 28 TYR O 1 41 GLY N 3.500 2.600 3.500 2.906 2.691 3.132 . 0 0 "[ . 1]" 2
59 1 30 TYR H 1 39 VAL O 2.600 . 2.600 2.276 1.947 2.482 . 0 0 "[ . 1]" 2
60 1 30 TYR N 1 39 VAL O 3.500 2.600 3.500 3.194 2.888 3.411 . 0 0 "[ . 1]" 2
61 1 30 TYR O 1 39 VAL H 2.600 . 2.600 2.474 2.096 2.622 0.022 7 0 "[ . 1]" 2
62 1 30 TYR O 1 39 VAL N 3.500 2.600 3.500 3.385 3.009 3.546 0.046 7 0 "[ . 1]" 2
63 1 38 GLY H 1 70 ALA O 2.600 . 2.600 2.642 2.477 2.710 0.110 9 0 "[ . 1]" 2
64 1 38 GLY N 1 70 ALA O 3.500 2.600 3.500 3.362 3.144 3.550 0.050 6 0 "[ . 1]" 2
65 1 38 GLY O 1 70 ALA H 2.600 . 2.600 2.260 1.903 2.633 0.033 6 0 "[ . 1]" 2
66 1 38 GLY O 1 70 ALA N 3.500 2.600 3.500 2.829 2.559 3.394 0.041 7 0 "[ . 1]" 2
67 1 40 ILE H 1 68 GLY O 2.600 . 2.600 2.168 1.975 2.461 . 0 0 "[ . 1]" 2
68 1 40 ILE N 1 68 GLY O 3.500 2.600 3.500 3.066 2.751 3.382 . 0 0 "[ . 1]" 2
69 1 40 ILE O 1 68 GLY H 2.600 . 2.600 2.515 2.133 2.639 0.039 9 0 "[ . 1]" 2
70 1 40 ILE O 1 68 GLY N 3.500 2.600 3.500 3.339 2.998 3.455 . 0 0 "[ . 1]" 2
71 1 42 SER H 1 66 THR O 2.600 . 2.600 1.927 1.760 2.121 0.040 3 0 "[ . 1]" 2
72 1 42 SER N 1 66 THR O 3.500 2.600 3.500 2.771 2.574 3.076 0.026 10 0 "[ . 1]" 2
73 1 42 SER O 1 66 THR H 2.600 . 2.600 2.262 2.021 2.633 0.033 4 0 "[ . 1]" 2
74 1 42 SER O 1 66 THR N 3.500 2.600 3.500 3.123 2.937 3.383 . 0 0 "[ . 1]" 2
75 1 44 THR H 1 64 GLY O 2.600 . 2.600 2.304 2.055 2.624 0.024 3 0 "[ . 1]" 2
76 1 44 THR N 1 64 GLY O 3.500 2.600 3.500 3.175 2.878 3.580 0.080 3 0 "[ . 1]" 2
77 1 44 THR O 1 64 GLY H 2.600 . 2.600 2.567 2.430 2.662 0.062 8 0 "[ . 1]" 2
78 1 44 THR O 1 64 GLY N 3.500 2.600 3.500 3.262 3.152 3.411 . 0 0 "[ . 1]" 2
79 1 46 THR H 1 62 TYR O 2.600 . 2.600 2.346 1.881 2.651 0.051 10 0 "[ . 1]" 2
80 1 46 THR N 1 62 TYR O 3.500 2.600 3.500 3.248 2.823 3.549 0.049 10 0 "[ . 1]" 2
81 1 46 THR O 1 62 TYR H 2.600 . 2.600 2.287 1.820 2.626 0.026 10 0 "[ . 1]" 2
82 1 46 THR O 1 62 TYR N 3.500 2.600 3.500 2.993 2.627 3.470 . 0 0 "[ . 1]" 2
83 1 61 GLN H 1 89 LYS O 2.600 . 2.600 2.578 2.187 2.677 0.077 7 0 "[ . 1]" 2
84 1 61 GLN N 1 89 LYS O 3.500 2.600 3.500 3.418 3.081 3.534 0.034 6 0 "[ . 1]" 2
85 1 61 GLN O 1 89 LYS H 2.600 . 2.600 2.500 2.225 2.638 0.038 3 0 "[ . 1]" 2
86 1 61 GLN O 1 89 LYS N 3.500 2.600 3.500 3.421 3.116 3.572 0.072 10 0 "[ . 1]" 2
87 1 63 TYR H 1 87 TYR O 2.600 . 2.600 2.206 1.683 2.603 0.117 6 0 "[ . 1]" 2
88 1 63 TYR N 1 87 TYR O 3.500 2.600 3.500 3.128 2.644 3.505 0.005 7 0 "[ . 1]" 2
89 1 63 TYR O 1 87 TYR H 2.600 . 2.600 1.925 1.768 2.345 0.032 6 0 "[ . 1]" 2
90 1 63 TYR O 1 87 TYR N 3.500 2.600 3.500 2.790 2.591 3.241 0.009 4 0 "[ . 1]" 2
91 1 65 ILE H 1 85 VAL O 2.600 . 2.600 2.279 1.765 2.656 0.056 5 0 "[ . 1]" 2
92 1 65 ILE N 1 85 VAL O 3.500 2.600 3.500 3.165 2.711 3.521 0.021 7 0 "[ . 1]" 2
93 1 65 ILE O 1 85 VAL H 2.600 . 2.600 2.440 2.112 2.652 0.052 9 0 "[ . 1]" 2
94 1 65 ILE O 1 85 VAL N 3.500 2.600 3.500 3.159 2.934 3.327 . 0 0 "[ . 1]" 2
95 1 67 ALA H 1 83 VAL O 2.600 . 2.600 2.101 1.762 2.331 0.038 10 0 "[ . 1]" 2
96 1 67 ALA N 1 83 VAL O 3.500 2.600 3.500 2.955 2.621 3.177 . 0 0 "[ . 1]" 2
97 1 67 ALA O 1 83 VAL H 2.600 . 2.600 2.376 1.942 2.628 0.028 5 0 "[ . 1]" 2
98 1 67 ALA O 1 83 VAL N 3.500 2.600 3.500 3.156 2.730 3.438 . 0 0 "[ . 1]" 2
99 1 69 PRO O 1 81 GLY H 2.600 . 2.600 2.445 2.104 2.662 0.062 3 0 "[ . 1]" 2
100 1 69 PRO O 1 81 GLY N 3.500 2.600 3.500 3.301 2.972 3.496 . 0 0 "[ . 1]" 2
101 1 71 TYR H 1 79 ILE O 2.600 . 2.600 2.040 1.774 2.374 0.026 7 0 "[ . 1]" 2
102 1 71 TYR N 1 79 ILE O 3.500 2.600 3.500 2.963 2.731 3.285 . 0 0 "[ . 1]" 2
103 1 71 TYR O 1 79 ILE H 2.600 . 2.600 2.349 2.032 2.636 0.036 8 0 "[ . 1]" 2
104 1 71 TYR O 1 79 ILE N 3.500 2.600 3.500 3.275 3.008 3.524 0.024 6 0 "[ . 1]" 2
105 1 88 GLY H 1 104 ASP O 2.600 . 2.600 2.282 1.811 2.622 0.022 10 0 "[ . 1]" 2
106 1 88 GLY N 1 104 ASP O 3.500 2.600 3.500 3.144 2.580 3.501 0.020 1 0 "[ . 1]" 2
107 1 88 GLY O 1 104 ASP H 2.600 . 2.600 2.638 2.615 2.689 0.089 6 0 "[ . 1]" 2
108 1 88 GLY O 1 104 ASP N 3.500 2.600 3.500 3.520 3.461 3.550 0.050 8 0 "[ . 1]" 2
109 1 86 GLY H 1 106 GLY O 2.600 . 2.600 2.199 1.765 2.634 0.035 3 0 "[ . 1]" 2
110 1 86 GLY N 1 106 GLY O 3.500 2.600 3.500 3.110 2.709 3.524 0.024 10 0 "[ . 1]" 2
111 1 86 GLY O 1 106 GLY H 2.600 . 2.600 2.360 1.837 2.608 0.008 4 0 "[ . 1]" 2
112 1 86 GLY O 1 106 GLY N 3.500 2.600 3.500 3.113 2.596 3.393 0.004 10 0 "[ . 1]" 2
113 1 84 GLY H 1 108 SER O 2.600 . 2.600 2.530 2.279 2.641 0.041 6 0 "[ . 1]" 2
114 1 84 GLY N 1 108 SER O 3.500 2.600 3.500 3.339 2.977 3.504 0.004 6 0 "[ . 1]" 2
115 1 84 GLY O 1 108 SER H 2.600 . 2.600 1.942 1.755 2.070 0.045 10 0 "[ . 1]" 2
116 1 84 GLY O 1 108 SER N 3.500 2.600 3.500 2.856 2.656 3.006 . 0 0 "[ . 1]" 2
117 1 82 VAL H 1 110 GLY O 2.600 . 2.600 1.788 1.747 1.939 0.053 7 0 "[ . 1]" 2
118 1 82 VAL N 1 110 GLY O 3.500 2.600 3.500 2.620 2.545 2.676 0.055 10 0 "[ . 1]" 2
119 1 82 VAL O 1 110 GLY H 2.600 . 2.600 2.313 2.096 2.488 . 0 0 "[ . 1]" 2
120 1 82 VAL O 1 110 GLY N 3.500 2.600 3.500 3.043 2.911 3.181 . 0 0 "[ . 1]" 2
121 1 80 TYR H 1 112 GLY O 2.600 . 2.600 2.358 2.070 2.589 . 0 0 "[ . 1]" 2
122 1 80 TYR N 1 112 GLY O 3.500 2.600 3.500 3.307 3.047 3.529 0.029 9 0 "[ . 1]" 2
123 1 80 TYR O 1 112 GLY H 2.600 . 2.600 2.282 2.041 2.674 0.074 10 0 "[ . 1]" 2
124 1 80 TYR O 1 112 GLY N 3.500 2.600 3.500 3.129 2.906 3.483 . 0 0 "[ . 1]" 2
125 1 78 SER H 1 114 GLN O 2.600 . 2.600 2.649 2.613 2.689 0.089 4 0 "[ . 1]" 2
126 1 78 SER N 1 114 GLN O 3.500 2.600 3.500 3.523 3.464 3.586 0.086 8 0 "[ . 1]" 2
127 1 78 SER O 1 114 GLN H 2.600 . 2.600 2.230 1.967 2.616 0.016 9 0 "[ . 1]" 2
128 1 78 SER O 1 114 GLN N 3.500 2.600 3.500 3.085 2.798 3.476 . 0 0 "[ . 1]" 2
129 1 107 PHE H 1 131 ARG O 2.600 . 2.600 2.674 2.630 2.725 0.125 7 0 "[ . 1]" 2
130 1 107 PHE N 1 131 ARG O 3.500 2.600 3.500 3.402 3.258 3.537 0.037 6 0 "[ . 1]" 2
131 1 107 PHE O 1 131 ARG H 2.600 . 2.600 2.450 2.188 2.637 0.037 10 0 "[ . 1]" 2
132 1 107 PHE O 1 131 ARG N 3.500 2.600 3.500 3.342 3.106 3.477 . 0 0 "[ . 1]" 2
133 1 109 TYR H 1 129 GLN O 2.600 . 2.600 2.522 2.381 2.630 0.030 10 0 "[ . 1]" 2
134 1 109 TYR N 1 129 GLN O 3.500 2.600 3.500 3.365 3.205 3.472 . 0 0 "[ . 1]" 2
135 1 109 TYR O 1 129 GLN H 2.600 . 2.600 2.380 2.061 2.604 0.004 6 0 "[ . 1]" 2
136 1 109 TYR O 1 129 GLN N 3.500 2.600 3.500 3.284 3.019 3.516 0.016 6 0 "[ . 1]" 2
137 1 111 ALA H 1 127 TYR O 2.600 . 2.600 2.632 2.610 2.653 0.053 10 0 "[ . 1]" 2
138 1 111 ALA N 1 127 TYR O 3.500 2.600 3.500 3.416 3.383 3.470 . 0 0 "[ . 1]" 2
139 1 111 ALA O 1 127 TYR H 2.600 . 2.600 2.290 2.021 2.521 . 0 0 "[ . 1]" 2
140 1 111 ALA O 1 127 TYR N 3.500 2.600 3.500 3.222 2.969 3.414 . 0 0 "[ . 1]" 2
141 1 113 LEU H 1 125 PHE O 2.600 . 2.600 2.279 1.855 2.611 0.011 10 0 "[ . 1]" 2
142 1 113 LEU N 1 125 PHE O 3.500 2.600 3.500 3.103 2.716 3.410 . 0 0 "[ . 1]" 2
143 1 113 LEU O 1 125 PHE H 2.600 . 2.600 2.246 1.913 2.589 . 0 0 "[ . 1]" 2
144 1 113 LEU O 1 125 PHE N 3.500 2.600 3.500 3.140 2.880 3.399 . 0 0 "[ . 1]" 2
145 1 115 PHE H 1 123 LEU O 2.600 . 2.600 1.798 1.689 2.163 0.111 8 0 "[ . 1]" 2
146 1 115 PHE N 1 123 LEU O 3.500 2.600 3.500 2.722 2.632 2.961 . 0 0 "[ . 1]" 2
147 1 115 PHE O 1 123 LEU H 2.600 . 2.600 2.286 2.022 2.570 . 0 0 "[ . 1]" 2
148 1 115 PHE O 1 123 LEU N 3.500 2.600 3.500 3.175 2.907 3.509 0.009 8 0 "[ . 1]" 2
149 1 122 ALA H 1 145 GLY O 2.600 . 2.600 2.464 1.978 2.628 0.028 1 0 "[ . 1]" 2
150 1 122 ALA N 1 145 GLY O 3.500 2.600 3.500 3.026 2.752 3.151 . 0 0 "[ . 1]" 2
151 1 122 ALA O 1 145 GLY H 2.600 . 2.600 2.156 1.951 2.291 . 0 0 "[ . 1]" 2
152 1 122 ALA O 1 145 GLY N 3.500 2.600 3.500 2.604 2.561 2.788 0.039 3 0 "[ . 1]" 2
153 1 124 ASP H 1 143 GLY O 2.600 . 2.600 2.660 2.629 2.697 0.097 9 0 "[ . 1]" 2
154 1 124 ASP N 1 143 GLY O 3.500 2.600 3.500 3.503 3.454 3.528 0.028 6 0 "[ . 1]" 2
155 1 124 ASP O 1 143 GLY H 2.600 . 2.600 2.631 2.596 2.674 0.074 7 0 "[ . 1]" 2
156 1 124 ASP O 1 143 GLY N 3.500 2.600 3.500 3.492 3.436 3.538 0.038 2 0 "[ . 1]" 2
157 1 126 SER H 1 141 ILE O 2.600 . 2.600 2.395 2.044 2.642 0.042 4 0 "[ . 1]" 2
158 1 126 SER N 1 141 ILE O 3.500 2.600 3.500 3.234 2.936 3.506 0.006 5 0 "[ . 1]" 2
159 1 126 SER O 1 141 ILE H 2.600 . 2.600 2.424 2.100 2.571 . 0 0 "[ . 1]" 2
160 1 126 SER O 1 141 ILE N 3.500 2.600 3.500 3.327 3.051 3.521 0.021 4 0 "[ . 1]" 2
161 1 130 SER H 1 137 VAL O 2.600 . 2.600 2.239 1.861 2.513 . 0 0 "[ . 1]" 2
162 1 130 SER N 1 137 VAL O 3.500 2.600 3.500 3.193 2.824 3.477 . 0 0 "[ . 1]" 2
163 1 130 SER O 1 137 VAL H 2.600 . 2.600 2.239 1.893 2.440 . 0 0 "[ . 1]" 2
164 1 130 SER O 1 137 VAL N 3.500 2.600 3.500 3.107 2.853 3.322 . 0 0 "[ . 1]" 2
165 1 132 ILE H 1 135 VAL O 2.600 . 2.600 1.822 1.744 2.269 0.056 8 0 "[ . 1]" 2
166 1 132 ILE N 1 135 VAL O 3.500 2.600 3.500 2.747 2.644 3.017 . 0 0 "[ . 1]" 2
167 1 132 ILE O 1 135 VAL H 2.600 . 2.600 2.637 2.577 2.732 0.132 9 0 "[ . 1]" 2
168 1 132 ILE O 1 135 VAL N 3.500 2.600 3.500 3.518 3.310 3.661 0.161 9 0 "[ . 1]" 2
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