Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
441224 | 2ka3 RC | 5882 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ka3
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 159
_Distance_constraint_stats_list.Viol_count 281
_Distance_constraint_stats_list.Viol_total 429.344
_Distance_constraint_stats_list.Viol_max 0.487
_Distance_constraint_stats_list.Viol_rms 0.0774
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0270
_Distance_constraint_stats_list.Viol_average_violations_only 0.1528
_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 16 GLN 0.196 0.039 3 0 "[ . 1]"
1 17 VAL 0.196 0.039 3 0 "[ . 1]"
1 18 ALA 0.030 0.015 5 0 "[ . 1]"
1 20 SER 0.000 0.000 . 0 "[ . 1]"
1 22 ALA 0.000 0.000 . 0 "[ . 1]"
1 24 SER 1.928 0.222 6 0 "[ . 1]"
1 25 LEU 1.928 0.222 6 0 "[ . 1]"
1 31 GLY 0.000 0.000 . 0 "[ . 1]"
1 32 THR 0.000 0.000 . 0 "[ . 1]"
1 35 PHE 0.000 0.000 . 0 "[ . 1]"
1 36 ASP 0.000 0.000 . 0 "[ . 1]"
1 37 ARG 0.000 0.000 . 0 "[ . 1]"
1 38 VAL 0.000 0.000 . 0 "[ . 1]"
1 39 LEU 0.000 0.000 . 0 "[ . 1]"
1 40 LEU 0.000 0.000 . 0 "[ . 1]"
1 42 ASP 0.030 0.015 5 0 "[ . 1]"
1 44 GLY 0.000 0.000 . 0 "[ . 1]"
1 45 TYR 0.000 0.000 . 0 "[ . 1]"
1 46 TYR 0.000 0.000 . 0 "[ . 1]"
1 47 ASP 0.006 0.006 2 0 "[ . 1]"
1 49 GLU 1.156 0.140 5 0 "[ . 1]"
1 50 THR 0.000 0.000 . 0 "[ . 1]"
1 51 GLY 1.162 0.140 5 0 "[ . 1]"
1 52 VAL 0.000 0.000 . 0 "[ . 1]"
1 57 LEU 0.000 0.000 . 0 "[ . 1]"
1 58 ALA 0.000 0.000 . 0 "[ . 1]"
1 59 GLY 4.101 0.469 7 0 "[ . 1]"
1 60 ARG 4.101 0.469 7 0 "[ . 1]"
1 69 GLY 0.000 0.000 . 0 "[ . 1]"
1 70 HIS 0.000 0.000 . 0 "[ . 1]"
1 72 HIS 0.000 0.000 . 0 "[ . 1]"
1 73 GLU 0.000 0.000 . 0 "[ . 1]"
1 76 GLU 0.000 0.000 . 0 "[ . 1]"
1 77 ALA 0.000 0.000 . 0 "[ . 1]"
1 78 VAL 0.000 0.000 . 0 "[ . 1]"
1 79 LEU 0.000 0.000 . 0 "[ . 1]"
1 80 SER 0.000 0.000 . 0 "[ . 1]"
1 81 ARG 0.000 0.000 . 0 "[ . 1]"
1 82 SER 0.000 0.000 . 0 "[ . 1]"
1 83 ASN 1.796 0.248 4 0 "[ . 1]"
1 84 GLN 1.796 0.248 4 0 "[ . 1]"
1 86 VAL 0.000 0.000 . 0 "[ . 1]"
1 87 ALA 0.000 0.000 . 0 "[ . 1]"
1 88 ARG 0.000 0.000 . 0 "[ . 1]"
1 89 VAL 0.000 0.000 . 0 "[ . 1]"
1 90 ASP 0.000 0.000 . 0 "[ . 1]"
1 91 SER 2.553 0.284 7 0 "[ . 1]"
1 92 GLY 3.113 0.284 7 0 "[ . 1]"
1 93 GLY 0.561 0.087 5 0 "[ . 1]"
1 113 THR 0.000 0.000 . 0 "[ . 1]"
1 114 LEU 0.000 0.000 . 0 "[ . 1]"
1 115 GLY 0.000 0.000 . 0 "[ . 1]"
1 124 GLN 0.000 0.000 . 0 "[ . 1]"
1 125 ALA 0.000 0.000 . 0 "[ . 1]"
1 126 GLY 0.000 0.000 . 0 "[ . 1]"
1 127 ASP 0.000 0.000 . 0 "[ . 1]"
1 128 THR 0.000 0.000 . 0 "[ . 1]"
1 132 ASP 0.000 0.000 . 0 "[ . 1]"
1 133 LEU 0.000 0.000 . 0 "[ . 1]"
1 134 VAL 0.949 0.105 6 0 "[ . 1]"
1 135 MET 0.949 0.105 6 0 "[ . 1]"
1 153 LEU 0.000 0.000 . 0 "[ . 1]"
1 154 TYR 0.000 0.000 . 0 "[ . 1]"
1 155 GLY 0.000 0.000 . 0 "[ . 1]"
1 156 ASP 0.000 0.000 . 0 "[ . 1]"
1 158 GLU 0.852 0.093 5 0 "[ . 1]"
1 159 LEU 0.852 0.093 5 0 "[ . 1]"
2 16 GLN 0.083 0.029 3 0 "[ . 1]"
2 17 VAL 0.083 0.029 3 0 "[ . 1]"
2 18 ALA 0.063 0.032 5 0 "[ . 1]"
2 20 SER 0.000 0.000 . 0 "[ . 1]"
2 22 ALA 0.000 0.000 . 0 "[ . 1]"
2 24 SER 1.929 0.226 2 0 "[ . 1]"
2 25 LEU 1.929 0.226 2 0 "[ . 1]"
2 31 GLY 0.000 0.000 . 0 "[ . 1]"
2 32 THR 0.000 0.000 . 0 "[ . 1]"
2 35 PHE 0.000 0.000 . 0 "[ . 1]"
2 36 ASP 0.000 0.000 . 0 "[ . 1]"
2 37 ARG 0.000 0.000 . 0 "[ . 1]"
2 38 VAL 0.000 0.000 . 0 "[ . 1]"
2 39 LEU 0.000 0.000 . 0 "[ . 1]"
2 40 LEU 0.000 0.000 . 0 "[ . 1]"
2 42 ASP 0.063 0.032 5 0 "[ . 1]"
2 44 GLY 0.000 0.000 . 0 "[ . 1]"
2 45 TYR 0.000 0.000 . 0 "[ . 1]"
2 46 TYR 0.000 0.000 . 0 "[ . 1]"
2 47 ASP 0.010 0.010 2 0 "[ . 1]"
2 49 GLU 1.254 0.152 5 0 "[ . 1]"
2 50 THR 0.000 0.000 . 0 "[ . 1]"
2 51 GLY 1.264 0.152 5 0 "[ . 1]"
2 52 VAL 0.000 0.000 . 0 "[ . 1]"
2 57 LEU 0.000 0.000 . 0 "[ . 1]"
2 58 ALA 0.000 0.000 . 0 "[ . 1]"
2 59 GLY 3.925 0.487 10 0 "[ . 1]"
2 60 ARG 3.925 0.487 10 0 "[ . 1]"
2 69 GLY 0.000 0.000 . 0 "[ . 1]"
2 70 HIS 0.000 0.000 . 0 "[ . 1]"
2 72 HIS 0.000 0.000 . 0 "[ . 1]"
2 73 GLU 0.000 0.000 . 0 "[ . 1]"
2 76 GLU 0.000 0.000 . 0 "[ . 1]"
2 77 ALA 0.000 0.000 . 0 "[ . 1]"
2 78 VAL 0.000 0.000 . 0 "[ . 1]"
2 79 LEU 0.000 0.000 . 0 "[ . 1]"
2 80 SER 0.000 0.000 . 0 "[ . 1]"
2 81 ARG 0.000 0.000 . 0 "[ . 1]"
2 82 SER 0.000 0.000 . 0 "[ . 1]"
2 83 ASN 1.326 0.217 4 0 "[ . 1]"
2 84 GLN 1.326 0.217 4 0 "[ . 1]"
2 86 VAL 0.000 0.000 . 0 "[ . 1]"
2 87 ALA 0.000 0.000 . 0 "[ . 1]"
2 88 ARG 0.000 0.000 . 0 "[ . 1]"
2 89 VAL 0.000 0.000 . 0 "[ . 1]"
2 90 ASP 0.000 0.000 . 0 "[ . 1]"
2 91 SER 2.958 0.327 8 0 "[ . 1]"
2 92 GLY 3.579 0.327 8 0 "[ . 1]"
2 93 GLY 0.621 0.087 5 0 "[ . 1]"
2 113 THR 0.000 0.000 . 0 "[ . 1]"
2 114 LEU 0.000 0.000 . 0 "[ . 1]"
2 115 GLY 0.000 0.000 . 0 "[ . 1]"
2 124 GLN 0.000 0.000 . 0 "[ . 1]"
2 125 ALA 0.000 0.000 . 0 "[ . 1]"
2 126 GLY 0.000 0.000 . 0 "[ . 1]"
2 127 ASP 0.000 0.000 . 0 "[ . 1]"
2 128 THR 0.000 0.000 . 0 "[ . 1]"
2 132 ASP 0.000 0.000 . 0 "[ . 1]"
2 133 LEU 0.000 0.000 . 0 "[ . 1]"
2 134 VAL 1.140 0.122 9 0 "[ . 1]"
2 135 MET 1.140 0.122 9 0 "[ . 1]"
2 153 LEU 0.000 0.000 . 0 "[ . 1]"
2 154 TYR 0.000 0.000 . 0 "[ . 1]"
2 155 GLY 0.000 0.000 . 0 "[ . 1]"
2 156 ASP 0.000 0.000 . 0 "[ . 1]"
2 158 GLU 0.780 0.087 7 0 "[ . 1]"
2 159 LEU 0.780 0.087 7 0 "[ . 1]"
3 16 GLN 0.288 0.056 7 0 "[ . 1]"
3 17 VAL 0.288 0.056 7 0 "[ . 1]"
3 18 ALA 0.055 0.023 6 0 "[ . 1]"
3 20 SER 0.000 0.000 . 0 "[ . 1]"
3 22 ALA 0.000 0.000 . 0 "[ . 1]"
3 24 SER 1.964 0.270 2 0 "[ . 1]"
3 25 LEU 2.002 0.270 2 0 "[ . 1]"
3 31 GLY 0.000 0.000 . 0 "[ . 1]"
3 32 THR 0.000 0.000 . 0 "[ . 1]"
3 35 PHE 0.000 0.000 . 0 "[ . 1]"
3 36 ASP 0.037 0.034 4 0 "[ . 1]"
3 37 ARG 0.000 0.000 . 0 "[ . 1]"
3 38 VAL 0.000 0.000 . 0 "[ . 1]"
3 39 LEU 0.000 0.000 . 0 "[ . 1]"
3 40 LEU 0.000 0.000 . 0 "[ . 1]"
3 42 ASP 0.055 0.023 6 0 "[ . 1]"
3 44 GLY 0.000 0.000 . 0 "[ . 1]"
3 45 TYR 0.000 0.000 . 0 "[ . 1]"
3 46 TYR 0.000 0.000 . 0 "[ . 1]"
3 47 ASP 0.008 0.008 2 0 "[ . 1]"
3 49 GLU 1.149 0.154 2 0 "[ . 1]"
3 50 THR 0.000 0.000 . 0 "[ . 1]"
3 51 GLY 1.157 0.154 2 0 "[ . 1]"
3 52 VAL 0.000 0.000 . 0 "[ . 1]"
3 57 LEU 0.000 0.000 . 0 "[ . 1]"
3 58 ALA 0.000 0.000 . 0 "[ . 1]"
3 59 GLY 4.520 0.477 7 0 "[ . 1]"
3 60 ARG 4.520 0.477 7 0 "[ . 1]"
3 69 GLY 0.000 0.000 . 0 "[ . 1]"
3 70 HIS 0.000 0.000 . 0 "[ . 1]"
3 72 HIS 0.000 0.000 . 0 "[ . 1]"
3 73 GLU 0.000 0.000 . 0 "[ . 1]"
3 76 GLU 0.000 0.000 . 0 "[ . 1]"
3 77 ALA 0.000 0.000 . 0 "[ . 1]"
3 78 VAL 0.000 0.000 . 0 "[ . 1]"
3 79 LEU 0.000 0.000 . 0 "[ . 1]"
3 80 SER 0.000 0.000 . 0 "[ . 1]"
3 81 ARG 0.000 0.000 . 0 "[ . 1]"
3 82 SER 0.000 0.000 . 0 "[ . 1]"
3 83 ASN 1.206 0.213 10 0 "[ . 1]"
3 84 GLN 1.206 0.213 10 0 "[ . 1]"
3 86 VAL 0.000 0.000 . 0 "[ . 1]"
3 87 ALA 0.000 0.000 . 0 "[ . 1]"
3 88 ARG 0.000 0.000 . 0 "[ . 1]"
3 89 VAL 0.000 0.000 . 0 "[ . 1]"
3 90 ASP 0.000 0.000 . 0 "[ . 1]"
3 91 SER 2.825 0.335 5 0 "[ . 1]"
3 92 GLY 3.668 0.335 5 0 "[ . 1]"
3 93 GLY 0.843 0.108 1 0 "[ . 1]"
3 113 THR 0.000 0.000 . 0 "[ . 1]"
3 114 LEU 0.000 0.000 . 0 "[ . 1]"
3 115 GLY 0.000 0.000 . 0 "[ . 1]"
3 124 GLN 0.000 0.000 . 0 "[ . 1]"
3 125 ALA 0.000 0.000 . 0 "[ . 1]"
3 126 GLY 0.000 0.000 . 0 "[ . 1]"
3 127 ASP 0.000 0.000 . 0 "[ . 1]"
3 128 THR 0.000 0.000 . 0 "[ . 1]"
3 132 ASP 0.000 0.000 . 0 "[ . 1]"
3 133 LEU 0.000 0.000 . 0 "[ . 1]"
3 134 VAL 1.037 0.118 2 0 "[ . 1]"
3 135 MET 1.037 0.118 2 0 "[ . 1]"
3 153 LEU 0.000 0.000 . 0 "[ . 1]"
3 154 TYR 0.000 0.000 . 0 "[ . 1]"
3 155 GLY 0.000 0.000 . 0 "[ . 1]"
3 156 ASP 0.000 0.000 . 0 "[ . 1]"
3 158 GLU 0.786 0.088 7 0 "[ . 1]"
3 159 LEU 0.786 0.088 7 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 16 GLN H 1 17 VAL H 3.000 . 3.500 3.520 3.506 3.539 0.039 3 0 "[ . 1]" 1
2 1 20 SER H 1 39 LEU H 4.000 . 5.000 4.229 4.195 4.355 . 0 0 "[ . 1]" 1
3 1 20 SER H 1 40 LEU H 3.000 . 3.500 3.202 3.182 3.233 . 0 0 "[ . 1]" 1
4 1 22 ALA H 1 37 ARG H 4.000 . 5.000 3.057 2.983 3.123 . 0 0 "[ . 1]" 1
5 1 22 ALA H 1 38 VAL H 4.000 . 5.000 4.761 4.701 4.803 . 0 0 "[ . 1]" 1
6 1 24 SER H 1 25 LEU H 2.500 . 2.700 1.607 1.578 1.672 0.222 6 0 "[ . 1]" 1
7 1 25 LEU H 1 36 ASP H 4.000 . 5.000 4.928 4.879 4.980 . 0 0 "[ . 1]" 1
8 1 31 GLY H 1 32 THR H 4.000 . 5.000 4.024 3.900 4.073 . 0 0 "[ . 1]" 1
9 1 35 PHE H 1 36 ASP H 4.000 . 5.000 4.142 4.077 4.171 . 0 0 "[ . 1]" 1
10 1 36 ASP H 1 37 ARG H 2.500 . 2.700 2.211 2.165 2.245 . 0 0 "[ . 1]" 1
11 1 39 LEU H 1 40 LEU H 2.500 . 2.700 2.399 2.370 2.413 . 0 0 "[ . 1]" 1
12 1 18 ALA H 1 42 ASP H 3.000 . 3.500 3.468 3.411 3.515 0.015 5 0 "[ . 1]" 1
13 1 44 GLY H 1 45 TYR H 3.000 . 3.500 3.200 3.145 3.317 . 0 0 "[ . 1]" 1
14 1 46 TYR H 1 47 ASP H 4.000 . 5.000 4.228 4.217 4.242 . 0 0 "[ . 1]" 1
15 1 49 GLU H 1 50 THR H 2.500 . 2.700 2.287 2.204 2.347 . 0 0 "[ . 1]" 1
16 1 49 GLU H 1 51 GLY H 2.500 . 2.700 2.816 2.783 2.840 0.140 5 0 "[ . 1]" 1
17 1 47 ASP H 1 51 GLY H 4.000 . 5.000 4.860 4.808 5.006 0.006 2 0 "[ . 1]" 1
18 1 50 THR H 1 51 GLY H 2.500 . 2.700 2.168 1.995 2.234 . 0 0 "[ . 1]" 1
19 1 47 ASP H 1 52 VAL H 4.000 . 5.000 3.852 3.740 4.227 . 0 0 "[ . 1]" 1
20 1 50 THR H 1 52 VAL H 4.000 . 5.000 3.741 3.492 3.816 . 0 0 "[ . 1]" 1
21 1 51 GLY H 1 52 VAL H 3.000 . 3.500 2.317 2.276 2.331 . 0 0 "[ . 1]" 1
22 1 57 LEU H 1 58 ALA H 4.000 . 5.000 3.289 3.164 3.395 . 0 0 "[ . 1]" 1
23 1 58 ALA H 1 59 GLY H 3.000 . 3.500 3.123 3.051 3.197 . 0 0 "[ . 1]" 1
24 1 59 GLY H 1 60 ARG H 3.000 . 3.500 3.910 3.836 3.969 0.469 7 0 "[ . 1]" 1
25 1 69 GLY H 1 70 HIS H 4.000 . 5.000 2.979 2.905 3.081 . 0 0 "[ . 1]" 1
26 1 72 HIS H 1 73 GLU H 2.500 . 2.700 2.577 2.547 2.614 . 0 0 "[ . 1]" 1
27 1 76 GLU H 1 77 ALA H 4.000 . 5.000 4.497 4.464 4.516 . 0 0 "[ . 1]" 1
28 1 77 ALA H 1 78 VAL H 4.000 . 5.000 4.075 3.981 4.134 . 0 0 "[ . 1]" 1
29 1 78 VAL H 1 79 LEU H 4.000 . 5.000 4.343 4.322 4.393 . 0 0 "[ . 1]" 1
30 1 79 LEU H 1 80 SER H 4.000 . 5.000 4.531 4.513 4.559 . 0 0 "[ . 1]" 1
31 1 81 ARG H 1 82 SER H 4.000 . 5.000 4.422 4.414 4.439 . 0 0 "[ . 1]" 1
32 1 82 SER H 1 84 GLN H 4.000 . 5.000 3.784 3.717 3.838 . 0 0 "[ . 1]" 1
33 1 82 SER H 1 83 ASN H 3.000 . 3.500 2.829 2.755 2.927 . 0 0 "[ . 1]" 1
34 1 83 ASN H 1 84 GLN H 3.000 . 3.500 1.620 1.552 1.699 0.248 4 0 "[ . 1]" 1
35 1 86 VAL H 1 87 ALA H 3.000 . 3.500 3.226 3.201 3.259 . 0 0 "[ . 1]" 1
36 1 87 ALA H 1 88 ARG H 4.000 . 5.000 4.275 4.263 4.287 . 0 0 "[ . 1]" 1
37 1 89 VAL H 1 90 ASP H 4.000 . 5.000 3.711 3.597 3.825 . 0 0 "[ . 1]" 1
38 1 91 SER H 1 92 GLY H 3.000 . 3.500 3.755 3.720 3.784 0.284 7 0 "[ . 1]" 1
39 1 92 GLY H 1 93 GLY H 3.000 . 3.500 3.556 3.517 3.587 0.087 5 0 "[ . 1]" 1
40 1 113 THR H 1 114 LEU H 3.000 . 3.500 2.115 1.933 2.354 . 0 0 "[ . 1]" 1
41 1 114 LEU H 1 115 GLY H 4.000 . 5.000 4.278 4.238 4.305 . 0 0 "[ . 1]" 1
42 1 124 GLN H 1 127 ASP H 4.000 . 5.000 4.387 4.320 4.453 . 0 0 "[ . 1]" 1
43 1 124 GLN H 1 125 ALA H 4.000 . 5.000 4.734 4.717 4.752 . 0 0 "[ . 1]" 1
44 1 125 ALA H 1 127 ASP H 4.000 . 5.000 4.286 4.259 4.369 . 0 0 "[ . 1]" 1
45 1 125 ALA H 1 126 GLY H 4.000 . 5.000 4.371 4.365 4.377 . 0 0 "[ . 1]" 1
46 1 126 GLY H 1 127 ASP H 2.500 . 2.700 2.636 2.621 2.668 . 0 0 "[ . 1]" 1
47 1 127 ASP H 1 128 THR H 4.000 . 5.000 4.657 4.646 4.684 . 0 0 "[ . 1]" 1
48 1 132 ASP H 1 133 LEU H 4.000 . 5.000 4.293 4.265 4.321 . 0 0 "[ . 1]" 1
49 1 134 VAL H 1 135 MET H 3.000 . 3.500 3.595 3.583 3.605 0.105 6 0 "[ . 1]" 1
50 1 153 LEU H 1 154 TYR H 3.000 . 3.500 2.323 2.285 2.347 . 0 0 "[ . 1]" 1
51 1 154 TYR H 1 155 GLY H 4.000 . 5.000 4.177 4.141 4.191 . 0 0 "[ . 1]" 1
52 1 155 GLY H 1 156 ASP H 4.000 . 5.000 4.370 4.350 4.384 . 0 0 "[ . 1]" 1
53 1 158 GLU H 1 159 LEU H 3.000 . 3.500 3.585 3.561 3.593 0.093 5 0 "[ . 1]" 1
54 2 16 GLN H 2 17 VAL H 3.000 . 3.500 3.506 3.486 3.529 0.029 3 0 "[ . 1]" 1
55 2 20 SER H 2 39 LEU H 4.000 . 5.000 4.216 4.172 4.339 . 0 0 "[ . 1]" 1
56 2 20 SER H 2 40 LEU H 3.000 . 3.500 3.219 3.196 3.237 . 0 0 "[ . 1]" 1
57 2 22 ALA H 2 37 ARG H 4.000 . 5.000 3.101 3.019 3.143 . 0 0 "[ . 1]" 1
58 2 22 ALA H 2 38 VAL H 4.000 . 5.000 4.782 4.719 4.803 . 0 0 "[ . 1]" 1
59 2 24 SER H 2 25 LEU H 2.500 . 2.700 1.607 1.574 1.667 0.226 2 0 "[ . 1]" 1
60 2 25 LEU H 2 36 ASP H 4.000 . 5.000 4.940 4.912 4.990 . 0 0 "[ . 1]" 1
61 2 31 GLY H 2 32 THR H 4.000 . 5.000 4.025 3.905 4.074 . 0 0 "[ . 1]" 1
62 2 35 PHE H 2 36 ASP H 4.000 . 5.000 4.130 4.070 4.157 . 0 0 "[ . 1]" 1
63 2 36 ASP H 2 37 ARG H 2.500 . 2.700 2.173 2.135 2.190 . 0 0 "[ . 1]" 1
64 2 39 LEU H 2 40 LEU H 2.500 . 2.700 2.430 2.371 2.455 . 0 0 "[ . 1]" 1
65 2 18 ALA H 2 42 ASP H 3.000 . 3.500 3.483 3.433 3.532 0.032 5 0 "[ . 1]" 1
66 2 44 GLY H 2 45 TYR H 3.000 . 3.500 3.191 3.144 3.314 . 0 0 "[ . 1]" 1
67 2 46 TYR H 2 47 ASP H 4.000 . 5.000 4.237 4.227 4.249 . 0 0 "[ . 1]" 1
68 2 49 GLU H 2 50 THR H 2.500 . 2.700 2.232 2.200 2.281 . 0 0 "[ . 1]" 1
69 2 49 GLU H 2 51 GLY H 2.500 . 2.700 2.825 2.790 2.852 0.152 5 0 "[ . 1]" 1
70 2 47 ASP H 2 51 GLY H 4.000 . 5.000 4.865 4.806 5.010 0.010 2 0 "[ . 1]" 1
71 2 50 THR H 2 51 GLY H 2.500 . 2.700 2.060 1.981 2.130 . 0 0 "[ . 1]" 1
72 2 47 ASP H 2 52 VAL H 4.000 . 5.000 3.818 3.693 4.244 . 0 0 "[ . 1]" 1
73 2 50 THR H 2 52 VAL H 4.000 . 5.000 3.691 3.486 3.773 . 0 0 "[ . 1]" 1
74 2 51 GLY H 2 52 VAL H 3.000 . 3.500 2.321 2.288 2.354 . 0 0 "[ . 1]" 1
75 2 57 LEU H 2 58 ALA H 4.000 . 5.000 3.224 3.153 3.390 . 0 0 "[ . 1]" 1
76 2 58 ALA H 2 59 GLY H 3.000 . 3.500 3.074 3.031 3.120 . 0 0 "[ . 1]" 1
77 2 59 GLY H 2 60 ARG H 3.000 . 3.500 3.893 3.848 3.987 0.487 10 0 "[ . 1]" 1
78 2 69 GLY H 2 70 HIS H 4.000 . 5.000 2.997 2.935 3.092 . 0 0 "[ . 1]" 1
79 2 72 HIS H 2 73 GLU H 2.500 . 2.700 2.624 2.606 2.650 . 0 0 "[ . 1]" 1
80 2 76 GLU H 2 77 ALA H 4.000 . 5.000 4.530 4.483 4.566 . 0 0 "[ . 1]" 1
81 2 77 ALA H 2 78 VAL H 4.000 . 5.000 4.078 3.984 4.132 . 0 0 "[ . 1]" 1
82 2 78 VAL H 2 79 LEU H 4.000 . 5.000 4.333 4.307 4.386 . 0 0 "[ . 1]" 1
83 2 79 LEU H 2 80 SER H 4.000 . 5.000 4.528 4.511 4.547 . 0 0 "[ . 1]" 1
84 2 81 ARG H 2 82 SER H 4.000 . 5.000 4.422 4.414 4.442 . 0 0 "[ . 1]" 1
85 2 82 SER H 2 84 GLN H 4.000 . 5.000 3.818 3.775 3.859 . 0 0 "[ . 1]" 1
86 2 82 SER H 2 83 ASN H 3.000 . 3.500 2.859 2.801 2.963 . 0 0 "[ . 1]" 1
87 2 83 ASN H 2 84 GLN H 3.000 . 3.500 1.667 1.583 1.759 0.217 4 0 "[ . 1]" 1
88 2 86 VAL H 2 87 ALA H 3.000 . 3.500 3.258 3.237 3.287 . 0 0 "[ . 1]" 1
89 2 87 ALA H 2 88 ARG H 4.000 . 5.000 4.273 4.258 4.288 . 0 0 "[ . 1]" 1
90 2 89 VAL H 2 90 ASP H 4.000 . 5.000 3.688 3.582 3.802 . 0 0 "[ . 1]" 1
91 2 91 SER H 2 92 GLY H 3.000 . 3.500 3.796 3.763 3.827 0.327 8 0 "[ . 1]" 1
92 2 92 GLY H 2 93 GLY H 3.000 . 3.500 3.562 3.528 3.587 0.087 5 0 "[ . 1]" 1
93 2 113 THR H 2 114 LEU H 3.000 . 3.500 2.014 1.930 2.179 . 0 0 "[ . 1]" 1
94 2 114 LEU H 2 115 GLY H 4.000 . 5.000 4.302 4.266 4.318 . 0 0 "[ . 1]" 1
95 2 124 GLN H 2 127 ASP H 4.000 . 5.000 4.460 4.380 4.529 . 0 0 "[ . 1]" 1
96 2 124 GLN H 2 125 ALA H 4.000 . 5.000 4.763 4.744 4.787 . 0 0 "[ . 1]" 1
97 2 125 ALA H 2 127 ASP H 4.000 . 5.000 4.260 4.233 4.306 . 0 0 "[ . 1]" 1
98 2 125 ALA H 2 126 GLY H 4.000 . 5.000 4.362 4.356 4.369 . 0 0 "[ . 1]" 1
99 2 126 GLY H 2 127 ASP H 2.500 . 2.700 2.628 2.603 2.658 . 0 0 "[ . 1]" 1
100 2 127 ASP H 2 128 THR H 4.000 . 5.000 4.605 4.581 4.636 . 0 0 "[ . 1]" 1
101 2 132 ASP H 2 133 LEU H 4.000 . 5.000 4.310 4.283 4.332 . 0 0 "[ . 1]" 1
102 2 134 VAL H 2 135 MET H 3.000 . 3.500 3.614 3.606 3.622 0.122 9 0 "[ . 1]" 1
103 2 153 LEU H 2 154 TYR H 3.000 . 3.500 2.313 2.287 2.346 . 0 0 "[ . 1]" 1
104 2 154 TYR H 2 155 GLY H 4.000 . 5.000 4.184 4.150 4.202 . 0 0 "[ . 1]" 1
105 2 155 GLY H 2 156 ASP H 4.000 . 5.000 4.355 4.330 4.367 . 0 0 "[ . 1]" 1
106 2 158 GLU H 2 159 LEU H 3.000 . 3.500 3.578 3.562 3.587 0.087 7 0 "[ . 1]" 1
107 3 16 GLN H 3 17 VAL H 3.000 . 3.500 3.528 3.493 3.556 0.056 7 0 "[ . 1]" 1
108 3 20 SER H 3 39 LEU H 4.000 . 5.000 4.267 4.215 4.332 . 0 0 "[ . 1]" 1
109 3 20 SER H 3 40 LEU H 3.000 . 3.500 3.249 3.207 3.287 . 0 0 "[ . 1]" 1
110 3 22 ALA H 3 37 ARG H 4.000 . 5.000 3.024 2.935 3.094 . 0 0 "[ . 1]" 1
111 3 22 ALA H 3 38 VAL H 4.000 . 5.000 4.665 4.586 4.709 . 0 0 "[ . 1]" 1
112 3 24 SER H 3 25 LEU H 2.500 . 2.700 1.604 1.530 1.650 0.270 2 0 "[ . 1]" 1
113 3 25 LEU H 3 36 ASP H 4.000 . 5.000 4.966 4.879 5.034 0.034 4 0 "[ . 1]" 1
114 3 31 GLY H 3 32 THR H 4.000 . 5.000 4.045 4.018 4.074 . 0 0 "[ . 1]" 1
115 3 35 PHE H 3 36 ASP H 4.000 . 5.000 4.141 4.102 4.173 . 0 0 "[ . 1]" 1
116 3 36 ASP H 3 37 ARG H 2.500 . 2.700 2.204 2.180 2.248 . 0 0 "[ . 1]" 1
117 3 39 LEU H 3 40 LEU H 2.500 . 2.700 2.386 2.357 2.413 . 0 0 "[ . 1]" 1
118 3 18 ALA H 3 42 ASP H 3.000 . 3.500 3.492 3.440 3.523 0.023 6 0 "[ . 1]" 1
119 3 44 GLY H 3 45 TYR H 3.000 . 3.500 3.204 3.164 3.251 . 0 0 "[ . 1]" 1
120 3 46 TYR H 3 47 ASP H 4.000 . 5.000 4.243 4.225 4.283 . 0 0 "[ . 1]" 1
121 3 49 GLU H 3 50 THR H 2.500 . 2.700 2.229 2.149 2.308 . 0 0 "[ . 1]" 1
122 3 49 GLU H 3 51 GLY H 2.500 . 2.700 2.815 2.782 2.854 0.154 2 0 "[ . 1]" 1
123 3 47 ASP H 3 51 GLY H 4.000 . 5.000 4.878 4.773 5.008 0.008 2 0 "[ . 1]" 1
124 3 50 THR H 3 51 GLY H 2.500 . 2.700 2.090 1.992 2.146 . 0 0 "[ . 1]" 1
125 3 47 ASP H 3 52 VAL H 4.000 . 5.000 3.845 3.667 4.174 . 0 0 "[ . 1]" 1
126 3 50 THR H 3 52 VAL H 4.000 . 5.000 3.697 3.523 3.771 . 0 0 "[ . 1]" 1
127 3 51 GLY H 3 52 VAL H 3.000 . 3.500 2.315 2.285 2.385 . 0 0 "[ . 1]" 1
128 3 57 LEU H 3 58 ALA H 4.000 . 5.000 3.256 3.152 3.300 . 0 0 "[ . 1]" 1
129 3 58 ALA H 3 59 GLY H 3.000 . 3.500 3.196 3.068 3.231 . 0 0 "[ . 1]" 1
130 3 59 GLY H 3 60 ARG H 3.000 . 3.500 3.952 3.862 3.977 0.477 7 0 "[ . 1]" 1
131 3 69 GLY H 3 70 HIS H 4.000 . 5.000 3.027 2.952 3.146 . 0 0 "[ . 1]" 1
132 3 72 HIS H 3 73 GLU H 2.500 . 2.700 2.605 2.573 2.640 . 0 0 "[ . 1]" 1
133 3 76 GLU H 3 77 ALA H 4.000 . 5.000 4.523 4.502 4.564 . 0 0 "[ . 1]" 1
134 3 77 ALA H 3 78 VAL H 4.000 . 5.000 4.001 3.909 4.126 . 0 0 "[ . 1]" 1
135 3 78 VAL H 3 79 LEU H 4.000 . 5.000 4.378 4.326 4.417 . 0 0 "[ . 1]" 1
136 3 79 LEU H 3 80 SER H 4.000 . 5.000 4.542 4.529 4.558 . 0 0 "[ . 1]" 1
137 3 81 ARG H 3 82 SER H 4.000 . 5.000 4.435 4.419 4.448 . 0 0 "[ . 1]" 1
138 3 82 SER H 3 84 GLN H 4.000 . 5.000 3.824 3.779 3.907 . 0 0 "[ . 1]" 1
139 3 82 SER H 3 83 ASN H 3.000 . 3.500 2.840 2.789 2.916 . 0 0 "[ . 1]" 1
140 3 83 ASN H 3 84 GLN H 3.000 . 3.500 1.679 1.587 1.769 0.213 10 0 "[ . 1]" 1
141 3 86 VAL H 3 87 ALA H 3.000 . 3.500 3.264 3.248 3.291 . 0 0 "[ . 1]" 1
142 3 87 ALA H 3 88 ARG H 4.000 . 5.000 4.297 4.283 4.304 . 0 0 "[ . 1]" 1
143 3 89 VAL H 3 90 ASP H 4.000 . 5.000 3.720 3.650 3.775 . 0 0 "[ . 1]" 1
144 3 91 SER H 3 92 GLY H 3.000 . 3.500 3.783 3.748 3.835 0.335 5 0 "[ . 1]" 1
145 3 92 GLY H 3 93 GLY H 3.000 . 3.500 3.584 3.560 3.608 0.108 1 0 "[ . 1]" 1
146 3 113 THR H 3 114 LEU H 3.000 . 3.500 2.218 2.174 2.245 . 0 0 "[ . 1]" 1
147 3 114 LEU H 3 115 GLY H 4.000 . 5.000 4.260 4.253 4.270 . 0 0 "[ . 1]" 1
148 3 124 GLN H 3 127 ASP H 4.000 . 5.000 4.337 4.185 4.467 . 0 0 "[ . 1]" 1
149 3 124 GLN H 3 125 ALA H 4.000 . 5.000 4.777 4.748 4.797 . 0 0 "[ . 1]" 1
150 3 125 ALA H 3 127 ASP H 4.000 . 5.000 4.305 4.255 4.388 . 0 0 "[ . 1]" 1
151 3 125 ALA H 3 126 GLY H 4.000 . 5.000 4.367 4.355 4.406 . 0 0 "[ . 1]" 1
152 3 126 GLY H 3 127 ASP H 2.500 . 2.700 2.627 2.343 2.671 . 0 0 "[ . 1]" 1
153 3 127 ASP H 3 128 THR H 4.000 . 5.000 4.631 4.605 4.661 . 0 0 "[ . 1]" 1
154 3 132 ASP H 3 133 LEU H 4.000 . 5.000 4.294 4.262 4.325 . 0 0 "[ . 1]" 1
155 3 134 VAL H 3 135 MET H 3.000 . 3.500 3.604 3.586 3.618 0.118 2 0 "[ . 1]" 1
156 3 153 LEU H 3 154 TYR H 3.000 . 3.500 2.363 2.328 2.390 . 0 0 "[ . 1]" 1
157 3 154 TYR H 3 155 GLY H 4.000 . 5.000 4.192 4.166 4.204 . 0 0 "[ . 1]" 1
158 3 155 GLY H 3 156 ASP H 4.000 . 5.000 4.358 4.341 4.382 . 0 0 "[ . 1]" 1
159 3 158 GLU H 3 159 LEU H 3.000 . 3.500 3.579 3.571 3.588 0.088 7 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 162
_Distance_constraint_stats_list.Viol_count 790
_Distance_constraint_stats_list.Viol_total 2168.454
_Distance_constraint_stats_list.Viol_max 0.816
_Distance_constraint_stats_list.Viol_rms 0.1908
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1339
_Distance_constraint_stats_list.Viol_average_violations_only 0.2745
_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 17 VAL 7.612 0.532 9 2 "[ . +-]"
1 19 PHE 0.000 0.000 . 0 "[ . 1]"
1 20 SER 2.029 0.142 10 0 "[ . 1]"
1 21 ALA 2.261 0.222 8 0 "[ . 1]"
1 22 ALA 0.000 0.000 . 0 "[ . 1]"
1 37 ARG 0.000 0.000 . 0 "[ . 1]"
1 40 LEU 2.029 0.142 10 0 "[ . 1]"
1 45 TYR 10.753 0.663 9 7 "[* - *** +*]"
1 47 ASP 0.006 0.006 2 0 "[ . 1]"
1 52 VAL 0.006 0.006 2 0 "[ . 1]"
1 53 PHE 7.612 0.412 8 0 "[ . 1]"
1 54 THR 10.753 0.663 9 7 "[* - *** +*]"
1 55 ALA 8.570 0.606 3 5 "[* + *** 1]"
1 62 LEU 0.000 0.000 . 0 "[ . 1]"
1 64 SER 3.630 0.300 2 0 "[ . 1]"
1 66 VAL 0.606 0.125 4 0 "[ . 1]"
1 74 LYS 5.489 0.676 2 5 "[ + *. **-]"
1 76 GLU 0.399 0.218 2 0 "[ . 1]"
1 77 ALA 9.742 0.658 4 4 "[ +-* * 1]"
1 78 VAL 7.450 0.775 2 1 "[ + . 1]"
1 79 LEU 3.242 0.374 9 0 "[ . 1]"
1 89 VAL 7.450 0.775 2 1 "[ + . 1]"
1 91 SER 0.399 0.218 2 0 "[ . 1]"
1 93 GLY 5.489 0.676 2 5 "[ + *. **-]"
1 126 GLY 0.000 0.000 . 0 "[ . 1]"
1 127 ASP 8.570 0.606 3 5 "[* + *** 1]"
1 129 VAL 7.612 0.412 8 0 "[ . 1]"
1 130 CYS 3.242 0.374 9 0 "[ . 1]"
1 132 ASP 9.742 0.658 4 4 "[ +-* * 1]"
1 147 ILE 0.606 0.125 4 0 "[ . 1]"
1 148 PHE 2.261 0.222 8 0 "[ . 1]"
1 149 SER 3.630 0.300 2 0 "[ . 1]"
1 150 GLY 0.000 0.000 . 0 "[ . 1]"
1 151 ALA 0.000 0.000 . 0 "[ . 1]"
1 152 LEU 7.612 0.532 9 2 "[ . +-]"
2 17 VAL 4.848 0.421 10 0 "[ . 1]"
2 19 PHE 0.000 0.000 . 0 "[ . 1]"
2 20 SER 2.479 0.165 10 0 "[ . 1]"
2 21 ALA 2.675 0.259 8 0 "[ . 1]"
2 22 ALA 0.000 0.000 . 0 "[ . 1]"
2 37 ARG 0.000 0.000 . 0 "[ . 1]"
2 40 LEU 2.479 0.165 10 0 "[ . 1]"
2 45 TYR 11.922 0.738 6 8 "[* *-*+* **]"
2 47 ASP 0.053 0.052 7 0 "[ . 1]"
2 52 VAL 0.053 0.052 7 0 "[ . 1]"
2 53 PHE 7.524 0.410 8 0 "[ . 1]"
2 54 THR 11.922 0.738 6 8 "[* *-*+* **]"
2 55 ALA 8.157 0.574 6 5 "[* * -+* 1]"
2 62 LEU 0.000 0.000 . 0 "[ . 1]"
2 64 SER 6.503 0.347 2 0 "[ . 1]"
2 66 VAL 1.187 0.202 9 0 "[ . 1]"
2 74 LYS 5.854 0.675 2 7 "[ +**. -***]"
2 76 GLU 0.383 0.221 2 0 "[ . 1]"
2 77 ALA 9.754 0.667 4 4 "[ +-* * 1]"
2 78 VAL 7.229 0.792 2 2 "[ + -. 1]"
2 79 LEU 5.346 0.536 10 1 "[ . +]"
2 89 VAL 7.229 0.792 2 2 "[ + -. 1]"
2 91 SER 0.383 0.221 2 0 "[ . 1]"
2 93 GLY 5.854 0.675 2 7 "[ +**. -***]"
2 126 GLY 0.000 0.000 . 0 "[ . 1]"
2 127 ASP 8.157 0.574 6 5 "[* * -+* 1]"
2 129 VAL 7.524 0.410 8 0 "[ . 1]"
2 130 CYS 5.346 0.536 10 1 "[ . +]"
2 132 ASP 9.754 0.667 4 4 "[ +-* * 1]"
2 147 ILE 1.187 0.202 9 0 "[ . 1]"
2 148 PHE 2.675 0.259 8 0 "[ . 1]"
2 149 SER 6.503 0.347 2 0 "[ . 1]"
2 150 GLY 0.000 0.000 . 0 "[ . 1]"
2 151 ALA 0.000 0.000 . 0 "[ . 1]"
2 152 LEU 4.848 0.421 10 0 "[ . 1]"
3 17 VAL 8.561 0.575 6 5 "[ -*+** 1]"
3 19 PHE 0.000 0.000 . 0 "[ . 1]"
3 20 SER 2.902 0.191 10 0 "[ . 1]"
3 21 ALA 3.090 0.364 9 0 "[ . 1]"
3 22 ALA 0.000 0.000 . 0 "[ . 1]"
3 37 ARG 0.000 0.000 . 0 "[ . 1]"
3 40 LEU 2.902 0.191 10 0 "[ . 1]"
3 45 TYR 9.677 0.654 9 5 "[ *-.* +*]"
3 47 ASP 0.000 0.000 . 0 "[ . 1]"
3 52 VAL 0.000 0.000 . 0 "[ . 1]"
3 53 PHE 9.204 0.494 1 0 "[ . 1]"
3 54 THR 9.677 0.654 9 5 "[ *-.* +*]"
3 55 ALA 9.204 0.681 6 6 "[ **-.+ **1]"
3 62 LEU 0.000 0.000 . 0 "[ . 1]"
3 64 SER 3.888 0.315 3 0 "[ . 1]"
3 66 VAL 0.200 0.136 2 0 "[ . 1]"
3 74 LYS 4.506 0.570 2 2 "[ + -. 1]"
3 76 GLU 0.412 0.159 4 0 "[ . 1]"
3 77 ALA 9.521 0.664 10 4 "[* *. - +]"
3 78 VAL 10.461 0.816 4 6 "[ *+.*-* *]"
3 79 LEU 1.904 0.322 9 0 "[ . 1]"
3 89 VAL 10.461 0.816 4 6 "[ *+.*-* *]"
3 91 SER 0.412 0.159 4 0 "[ . 1]"
3 93 GLY 4.506 0.570 2 2 "[ + -. 1]"
3 126 GLY 0.000 0.000 . 0 "[ . 1]"
3 127 ASP 9.204 0.681 6 6 "[ **-.+ **1]"
3 129 VAL 9.204 0.494 1 0 "[ . 1]"
3 130 CYS 1.904 0.322 9 0 "[ . 1]"
3 132 ASP 9.521 0.664 10 4 "[* *. - +]"
3 147 ILE 0.200 0.136 2 0 "[ . 1]"
3 148 PHE 3.090 0.364 9 0 "[ . 1]"
3 149 SER 3.888 0.315 3 0 "[ . 1]"
3 150 GLY 0.000 0.000 . 0 "[ . 1]"
3 151 ALA 0.000 0.000 . 0 "[ . 1]"
3 152 LEU 8.561 0.575 6 5 "[ -*+** 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 20 SER H 1 40 LEU O 2.200 . 2.600 2.226 1.975 2.332 . 0 0 "[ . 1]" 2
2 1 20 SER N 1 40 LEU O 3.000 2.400 3.600 2.845 2.731 2.893 . 0 0 "[ . 1]" 2
3 1 20 SER O 1 40 LEU H 2.200 . 2.600 2.707 2.675 2.742 0.142 10 0 "[ . 1]" 2
4 1 20 SER O 1 40 LEU N 3.000 2.400 3.600 3.696 3.667 3.738 0.138 10 0 "[ . 1]" 2
5 1 22 ALA H 1 37 ARG O 2.200 . 2.600 1.999 1.956 2.060 . 0 0 "[ . 1]" 2
6 1 22 ALA N 1 37 ARG O 3.000 2.400 3.600 2.900 2.874 2.947 . 0 0 "[ . 1]" 2
7 1 22 ALA O 1 37 ARG H 2.200 . 2.600 2.277 2.217 2.360 . 0 0 "[ . 1]" 2
8 1 22 ALA O 1 37 ARG N 3.000 2.400 3.600 3.203 3.160 3.268 . 0 0 "[ . 1]" 2
9 1 45 TYR O 1 54 THR H 2.200 . 2.600 3.144 2.996 3.263 0.663 9 7 "[* - *** +*]" 2
10 1 45 TYR O 1 54 THR N 3.000 2.400 3.600 4.132 3.942 4.256 0.656 9 7 "[* - *** +*]" 2
11 1 47 ASP H 1 52 VAL O 2.200 . 2.600 2.467 2.406 2.583 . 0 0 "[ . 1]" 2
12 1 47 ASP N 1 52 VAL O 3.000 2.400 3.600 3.340 3.256 3.458 . 0 0 "[ . 1]" 2
13 1 47 ASP O 1 52 VAL H 2.200 . 2.600 2.489 2.398 2.606 0.006 2 0 "[ . 1]" 2
14 1 47 ASP O 1 52 VAL N 3.000 2.400 3.600 3.056 3.008 3.110 . 0 0 "[ . 1]" 2
15 1 53 PHE H 1 129 VAL O 2.200 . 2.600 2.763 2.673 2.900 0.300 9 0 "[ . 1]" 2
16 1 53 PHE N 1 129 VAL O 3.000 2.400 3.600 3.748 3.679 3.860 0.260 9 0 "[ . 1]" 2
17 1 53 PHE O 1 129 VAL H 2.200 . 2.600 2.891 2.629 3.012 0.412 8 0 "[ . 1]" 2
18 1 53 PHE O 1 129 VAL N 3.000 2.400 3.600 3.752 3.520 3.845 0.245 2 0 "[ . 1]" 2
19 1 55 ALA H 1 127 ASP O 2.200 . 2.600 3.062 2.809 3.206 0.606 3 5 "[* + -** 1]" 2
20 1 55 ALA N 1 127 ASP O 3.000 2.400 3.600 3.995 3.804 4.106 0.506 3 1 "[ + . 1]" 2
21 1 55 ALA O 1 126 GLY H 2.200 . 2.600 2.180 2.112 2.249 . 0 0 "[ . 1]" 2
22 1 55 ALA O 1 126 GLY N 3.000 2.400 3.600 3.122 3.069 3.204 . 0 0 "[ . 1]" 2
23 1 79 LEU O 1 130 CYS H 2.200 . 2.600 2.795 2.560 2.974 0.374 9 0 "[ . 1]" 2
24 1 79 LEU O 1 130 CYS N 3.000 2.400 3.600 3.711 3.467 3.937 0.337 9 0 "[ . 1]" 2
25 1 79 LEU H 1 130 CYS O 2.200 . 2.600 2.452 2.312 2.600 0.000 4 0 "[ . 1]" 2
26 1 79 LEU N 1 130 CYS O 3.000 2.400 3.600 3.103 2.995 3.210 . 0 0 "[ . 1]" 2
27 1 77 ALA H 1 132 ASP O 2.200 . 2.600 3.082 2.899 3.258 0.658 4 4 "[ +-* * 1]" 2
28 1 77 ALA N 1 132 ASP O 3.000 2.400 3.600 4.032 3.830 4.195 0.595 4 4 "[ +-* * 1]" 2
29 1 77 ALA O 1 132 ASP H 2.200 . 2.600 2.659 2.588 2.727 0.127 4 0 "[ . 1]" 2
30 1 77 ALA O 1 132 ASP N 3.000 2.400 3.600 3.537 3.470 3.588 . 0 0 "[ . 1]" 2
31 1 74 LYS O 1 93 GLY H 2.200 . 2.600 3.113 3.016 3.276 0.676 2 5 "[ + *. **-]" 2
32 1 74 LYS O 1 93 GLY N 3.000 2.400 3.600 3.624 3.537 3.721 0.121 2 0 "[ . 1]" 2
33 1 76 GLU H 1 91 SER O 2.200 . 2.600 2.343 2.154 2.576 . 0 0 "[ . 1]" 2
34 1 76 GLU N 1 91 SER O 3.000 2.400 3.600 3.178 3.020 3.409 . 0 0 "[ . 1]" 2
35 1 76 GLU O 1 91 SER H 2.200 . 2.600 2.523 2.379 2.818 0.218 2 0 "[ . 1]" 2
36 1 76 GLU O 1 91 SER N 3.000 2.400 3.600 3.404 3.288 3.663 0.063 2 0 "[ . 1]" 2
37 1 78 VAL H 1 89 VAL O 2.200 . 2.600 3.041 2.859 3.375 0.775 2 1 "[ + . 1]" 2
38 1 78 VAL N 1 89 VAL O 3.000 2.400 3.600 3.904 3.745 4.282 0.682 2 1 "[ + . 1]" 2
39 1 17 VAL O 1 152 LEU H 2.200 . 2.600 3.060 2.896 3.132 0.532 9 2 "[ . +-]" 2
40 1 17 VAL O 1 152 LEU N 3.000 2.400 3.600 3.901 3.780 3.967 0.367 9 0 "[ . 1]" 2
41 1 19 PHE O 1 150 GLY H 2.200 . 2.600 2.455 2.257 2.584 . 0 0 "[ . 1]" 2
42 1 19 PHE O 1 150 GLY N 3.000 2.400 3.600 3.119 3.054 3.160 . 0 0 "[ . 1]" 2
43 1 21 ALA O 1 148 PHE H 2.200 . 2.600 2.787 2.720 2.822 0.222 8 0 "[ . 1]" 2
44 1 21 ALA O 1 148 PHE N 3.000 2.400 3.600 3.638 3.594 3.674 0.074 8 0 "[ . 1]" 2
45 1 62 LEU O 1 151 ALA H 2.200 . 2.600 2.293 2.212 2.448 . 0 0 "[ . 1]" 2
46 1 62 LEU O 1 151 ALA N 3.000 2.400 3.600 3.144 3.089 3.256 . 0 0 "[ . 1]" 2
47 1 62 LEU H 1 151 ALA O 2.200 . 2.600 2.147 2.012 2.422 . 0 0 "[ . 1]" 2
48 1 62 LEU N 1 151 ALA O 3.000 2.400 3.600 3.091 2.952 3.362 . 0 0 "[ . 1]" 2
49 1 64 SER O 1 149 SER H 2.200 . 2.600 2.615 2.556 2.717 0.117 2 0 "[ . 1]" 2
50 1 64 SER O 1 149 SER N 3.000 2.400 3.600 3.526 3.477 3.624 0.024 2 0 "[ . 1]" 2
51 1 64 SER H 1 149 SER O 2.200 . 2.600 2.777 2.695 2.900 0.300 2 0 "[ . 1]" 2
52 1 64 SER N 1 149 SER O 3.000 2.400 3.600 3.759 3.685 3.881 0.281 2 0 "[ . 1]" 2
53 1 66 VAL H 1 147 ILE O 2.200 . 2.600 2.656 2.560 2.725 0.125 4 0 "[ . 1]" 2
54 1 66 VAL N 1 147 ILE O 3.000 2.400 3.600 3.460 3.381 3.548 . 0 0 "[ . 1]" 2
55 2 20 SER H 2 40 LEU O 2.200 . 2.600 2.252 1.994 2.343 . 0 0 "[ . 1]" 2
56 2 20 SER N 2 40 LEU O 3.000 2.400 3.600 2.857 2.740 2.908 . 0 0 "[ . 1]" 2
57 2 20 SER O 2 40 LEU H 2.200 . 2.600 2.732 2.690 2.765 0.165 10 0 "[ . 1]" 2
58 2 20 SER O 2 40 LEU N 3.000 2.400 3.600 3.716 3.673 3.749 0.149 10 0 "[ . 1]" 2
59 2 22 ALA H 2 37 ARG O 2.200 . 2.600 2.006 1.958 2.065 . 0 0 "[ . 1]" 2
60 2 22 ALA N 2 37 ARG O 3.000 2.400 3.600 2.907 2.879 2.952 . 0 0 "[ . 1]" 2
61 2 22 ALA O 2 37 ARG H 2.200 . 2.600 2.368 2.240 2.437 . 0 0 "[ . 1]" 2
62 2 22 ALA O 2 37 ARG N 3.000 2.400 3.600 3.281 3.180 3.338 . 0 0 "[ . 1]" 2
63 2 45 TYR O 2 54 THR H 2.200 . 2.600 3.202 3.042 3.338 0.738 6 8 "[* *-*+* **]" 2
64 2 45 TYR O 2 54 THR N 3.000 2.400 3.600 4.190 3.989 4.327 0.727 6 8 "[* *-*+* **]" 2
65 2 47 ASP H 2 52 VAL O 2.200 . 2.600 2.531 2.458 2.652 0.052 7 0 "[ . 1]" 2
66 2 47 ASP N 2 52 VAL O 3.000 2.400 3.600 3.366 3.285 3.485 . 0 0 "[ . 1]" 2
67 2 47 ASP O 2 52 VAL H 2.200 . 2.600 2.466 2.350 2.601 0.001 2 0 "[ . 1]" 2
68 2 47 ASP O 2 52 VAL N 3.000 2.400 3.600 3.058 3.014 3.112 . 0 0 "[ . 1]" 2
69 2 53 PHE H 2 129 VAL O 2.200 . 2.600 2.795 2.694 2.939 0.339 9 0 "[ . 1]" 2
70 2 53 PHE N 2 129 VAL O 3.000 2.400 3.600 3.769 3.699 3.893 0.293 9 0 "[ . 1]" 2
71 2 53 PHE O 2 129 VAL H 2.200 . 2.600 2.856 2.663 3.010 0.410 8 0 "[ . 1]" 2
72 2 53 PHE O 2 129 VAL N 3.000 2.400 3.600 3.727 3.548 3.841 0.241 8 0 "[ . 1]" 2
73 2 55 ALA H 2 127 ASP O 2.200 . 2.600 3.043 2.761 3.174 0.574 6 5 "[* * -+* 1]" 2
74 2 55 ALA N 2 127 ASP O 3.000 2.400 3.600 3.973 3.754 4.075 0.475 3 0 "[ . 1]" 2
75 2 55 ALA O 2 126 GLY H 2.200 . 2.600 2.164 2.081 2.217 . 0 0 "[ . 1]" 2
76 2 55 ALA O 2 126 GLY N 3.000 2.400 3.600 3.101 3.038 3.172 . 0 0 "[ . 1]" 2
77 2 79 LEU O 2 130 CYS H 2.200 . 2.600 2.906 2.576 3.136 0.536 10 1 "[ . +]" 2
78 2 79 LEU O 2 130 CYS N 3.000 2.400 3.600 3.815 3.489 4.035 0.435 10 0 "[ . 1]" 2
79 2 79 LEU H 2 130 CYS O 2.200 . 2.600 2.405 2.292 2.502 . 0 0 "[ . 1]" 2
80 2 79 LEU N 2 130 CYS O 3.000 2.400 3.600 3.072 2.981 3.159 . 0 0 "[ . 1]" 2
81 2 77 ALA H 2 132 ASP O 2.200 . 2.600 3.101 2.917 3.267 0.667 4 4 "[ +-* * 1]" 2
82 2 77 ALA N 2 132 ASP O 3.000 2.400 3.600 4.058 3.870 4.222 0.622 8 4 "[ *-* + 1]" 2
83 2 77 ALA O 2 132 ASP H 2.200 . 2.600 2.587 2.505 2.663 0.063 2 0 "[ . 1]" 2
84 2 77 ALA O 2 132 ASP N 3.000 2.400 3.600 3.472 3.394 3.548 . 0 0 "[ . 1]" 2
85 2 74 LYS O 2 93 GLY H 2.200 . 2.600 3.149 3.045 3.275 0.675 2 7 "[ +**. -***]" 2
86 2 74 LYS O 2 93 GLY N 3.000 2.400 3.600 3.631 3.546 3.715 0.115 2 0 "[ . 1]" 2
87 2 76 GLU H 2 91 SER O 2.200 . 2.600 2.300 2.138 2.525 . 0 0 "[ . 1]" 2
88 2 76 GLU N 2 91 SER O 3.000 2.400 3.600 3.139 3.009 3.356 . 0 0 "[ . 1]" 2
89 2 76 GLU O 2 91 SER H 2.200 . 2.600 2.502 2.374 2.821 0.221 2 0 "[ . 1]" 2
90 2 76 GLU O 2 91 SER N 3.000 2.400 3.600 3.415 3.299 3.688 0.088 2 0 "[ . 1]" 2
91 2 78 VAL H 2 89 VAL O 2.200 . 2.600 3.036 2.898 3.392 0.792 2 2 "[ + -. 1]" 2
92 2 78 VAL N 2 89 VAL O 3.000 2.400 3.600 3.887 3.762 4.292 0.692 2 1 "[ + . 1]" 2
93 2 17 VAL O 2 152 LEU H 2.200 . 2.600 2.909 2.851 3.021 0.421 10 0 "[ . 1]" 2
94 2 17 VAL O 2 152 LEU N 3.000 2.400 3.600 3.775 3.734 3.852 0.252 10 0 "[ . 1]" 2
95 2 19 PHE O 2 150 GLY H 2.200 . 2.600 2.381 2.256 2.479 . 0 0 "[ . 1]" 2
96 2 19 PHE O 2 150 GLY N 3.000 2.400 3.600 3.094 3.044 3.143 . 0 0 "[ . 1]" 2
97 2 21 ALA O 2 148 PHE H 2.200 . 2.600 2.805 2.773 2.859 0.259 8 0 "[ . 1]" 2
98 2 21 ALA O 2 148 PHE N 3.000 2.400 3.600 3.662 3.622 3.720 0.120 8 0 "[ . 1]" 2
99 2 62 LEU O 2 151 ALA H 2.200 . 2.600 2.281 2.192 2.465 . 0 0 "[ . 1]" 2
100 2 62 LEU O 2 151 ALA N 3.000 2.400 3.600 3.146 3.081 3.275 . 0 0 "[ . 1]" 2
101 2 62 LEU H 2 151 ALA O 2.200 . 2.600 2.177 2.007 2.487 . 0 0 "[ . 1]" 2
102 2 62 LEU N 2 151 ALA O 3.000 2.400 3.600 3.132 2.964 3.443 . 0 0 "[ . 1]" 2
103 2 64 SER O 2 149 SER H 2.200 . 2.600 2.691 2.598 2.774 0.174 2 0 "[ . 1]" 2
104 2 64 SER O 2 149 SER N 3.000 2.400 3.600 3.613 3.533 3.682 0.082 2 0 "[ . 1]" 2
105 2 64 SER H 2 149 SER O 2.200 . 2.600 2.874 2.778 2.947 0.347 2 0 "[ . 1]" 2
106 2 64 SER N 2 149 SER O 3.000 2.400 3.600 3.864 3.773 3.932 0.332 2 0 "[ . 1]" 2
107 2 66 VAL H 2 147 ILE O 2.200 . 2.600 2.718 2.649 2.802 0.202 9 0 "[ . 1]" 2
108 2 66 VAL N 2 147 ILE O 3.000 2.400 3.600 3.537 3.479 3.608 0.008 9 0 "[ . 1]" 2
109 3 20 SER H 3 40 LEU O 2.200 . 2.600 2.177 2.075 2.250 . 0 0 "[ . 1]" 2
110 3 20 SER N 3 40 LEU O 3.000 2.400 3.600 2.815 2.769 2.847 . 0 0 "[ . 1]" 2
111 3 20 SER O 3 40 LEU H 2.200 . 2.600 2.749 2.719 2.791 0.191 10 0 "[ . 1]" 2
112 3 20 SER O 3 40 LEU N 3.000 2.400 3.600 3.741 3.714 3.785 0.185 10 0 "[ . 1]" 2
113 3 22 ALA H 3 37 ARG O 2.200 . 2.600 2.074 2.005 2.183 . 0 0 "[ . 1]" 2
114 3 22 ALA N 3 37 ARG O 3.000 2.400 3.600 2.928 2.885 2.997 . 0 0 "[ . 1]" 2
115 3 22 ALA O 3 37 ARG H 2.200 . 2.600 2.256 2.171 2.306 . 0 0 "[ . 1]" 2
116 3 22 ALA O 3 37 ARG N 3.000 2.400 3.600 3.185 3.103 3.239 . 0 0 "[ . 1]" 2
117 3 45 TYR O 3 54 THR H 2.200 . 2.600 3.091 2.948 3.254 0.654 9 5 "[ *-.* +*]" 2
118 3 45 TYR O 3 54 THR N 3.000 2.400 3.600 4.077 3.937 4.244 0.644 9 5 "[ *-.* +*]" 2
119 3 47 ASP H 3 52 VAL O 2.200 . 2.600 2.444 2.332 2.585 . 0 0 "[ . 1]" 2
120 3 47 ASP N 3 52 VAL O 3.000 2.400 3.600 3.309 3.207 3.443 . 0 0 "[ . 1]" 2
121 3 47 ASP O 3 52 VAL H 2.200 . 2.600 2.460 2.304 2.572 . 0 0 "[ . 1]" 2
122 3 47 ASP O 3 52 VAL N 3.000 2.400 3.600 3.036 2.949 3.095 . 0 0 "[ . 1]" 2
123 3 53 PHE H 3 129 VAL O 2.200 . 2.600 2.798 2.606 2.969 0.369 9 0 "[ . 1]" 2
124 3 53 PHE N 3 129 VAL O 3.000 2.400 3.600 3.771 3.606 3.952 0.352 9 0 "[ . 1]" 2
125 3 53 PHE O 3 129 VAL H 2.200 . 2.600 2.951 2.664 3.094 0.494 1 0 "[ . 1]" 2
126 3 53 PHE O 3 129 VAL N 3.000 2.400 3.600 3.795 3.557 3.903 0.303 1 0 "[ . 1]" 2
127 3 55 ALA H 3 127 ASP O 2.200 . 2.600 3.095 2.871 3.281 0.681 6 6 "[ **-.+ **1]" 2
128 3 55 ALA N 3 127 ASP O 3.000 2.400 3.600 4.025 3.814 4.153 0.553 9 2 "[ .- +1]" 2
129 3 55 ALA O 3 126 GLY H 2.200 . 2.600 2.270 2.122 2.419 . 0 0 "[ . 1]" 2
130 3 55 ALA O 3 126 GLY N 3.000 2.400 3.600 3.171 3.058 3.301 . 0 0 "[ . 1]" 2
131 3 79 LEU O 3 130 CYS H 2.200 . 2.600 2.719 2.522 2.922 0.322 9 0 "[ . 1]" 2
132 3 79 LEU O 3 130 CYS N 3.000 2.400 3.600 3.615 3.417 3.777 0.177 9 0 "[ . 1]" 2
133 3 79 LEU H 3 130 CYS O 2.200 . 2.600 2.387 2.289 2.522 . 0 0 "[ . 1]" 2
134 3 79 LEU N 3 130 CYS O 3.000 2.400 3.600 3.034 2.969 3.133 . 0 0 "[ . 1]" 2
135 3 77 ALA H 3 132 ASP O 2.200 . 2.600 3.058 2.840 3.264 0.664 10 4 "[* *. - +]" 2
136 3 77 ALA N 3 132 ASP O 3.000 2.400 3.600 4.008 3.779 4.208 0.608 1 4 "[+ *. - *]" 2
137 3 77 ALA O 3 132 ASP H 2.200 . 2.600 2.676 2.569 2.812 0.212 10 0 "[ . 1]" 2
138 3 77 ALA O 3 132 ASP N 3.000 2.400 3.600 3.553 3.451 3.663 0.063 10 0 "[ . 1]" 2
139 3 74 LYS O 3 93 GLY H 2.200 . 2.600 3.036 2.936 3.170 0.570 2 2 "[ + -. 1]" 2
140 3 74 LYS O 3 93 GLY N 3.000 2.400 3.600 3.567 3.483 3.688 0.088 4 0 "[ . 1]" 2
141 3 76 GLU H 3 91 SER O 2.200 . 2.600 2.363 2.258 2.676 0.076 2 0 "[ . 1]" 2
142 3 76 GLU N 3 91 SER O 3.000 2.400 3.600 3.197 3.101 3.396 . 0 0 "[ . 1]" 2
143 3 76 GLU O 3 91 SER H 2.200 . 2.600 2.585 2.466 2.759 0.159 4 0 "[ . 1]" 2
144 3 76 GLU O 3 91 SER N 3.000 2.400 3.600 3.471 3.331 3.659 0.059 4 0 "[ . 1]" 2
145 3 78 VAL H 3 89 VAL O 2.200 . 2.600 3.188 2.956 3.416 0.816 4 6 "[ *+.*-* *]" 2
146 3 78 VAL N 3 89 VAL O 3.000 2.400 3.600 4.058 3.817 4.290 0.690 4 6 "[ *+.*-* *]" 2
147 3 17 VAL O 3 152 LEU H 2.200 . 2.600 3.093 2.892 3.175 0.575 6 5 "[ -*+** 1]" 2
148 3 17 VAL O 3 152 LEU N 3.000 2.400 3.600 3.963 3.756 4.038 0.438 7 0 "[ . 1]" 2
149 3 19 PHE O 3 150 GLY H 2.200 . 2.600 2.426 2.364 2.487 . 0 0 "[ . 1]" 2
150 3 19 PHE O 3 150 GLY N 3.000 2.400 3.600 3.162 3.095 3.288 . 0 0 "[ . 1]" 2
151 3 21 ALA O 3 148 PHE H 2.200 . 2.600 2.829 2.668 2.964 0.364 9 0 "[ . 1]" 2
152 3 21 ALA O 3 148 PHE N 3.000 2.400 3.600 3.673 3.526 3.814 0.214 9 0 "[ . 1]" 2
153 3 62 LEU O 3 151 ALA H 2.200 . 2.600 2.191 2.020 2.463 . 0 0 "[ . 1]" 2
154 3 62 LEU O 3 151 ALA N 3.000 2.400 3.600 3.010 2.910 3.154 . 0 0 "[ . 1]" 2
155 3 62 LEU H 3 151 ALA O 2.200 . 2.600 2.178 2.049 2.392 . 0 0 "[ . 1]" 2
156 3 62 LEU N 3 151 ALA O 3.000 2.400 3.600 3.104 2.982 3.275 . 0 0 "[ . 1]" 2
157 3 64 SER O 3 149 SER H 2.200 . 2.600 2.666 2.597 2.769 0.169 2 0 "[ . 1]" 2
158 3 64 SER O 3 149 SER N 3.000 2.400 3.600 3.582 3.534 3.651 0.051 7 0 "[ . 1]" 2
159 3 64 SER H 3 149 SER O 2.200 . 2.600 2.769 2.656 2.915 0.315 3 0 "[ . 1]" 2
160 3 64 SER N 3 149 SER O 3.000 2.400 3.600 3.743 3.632 3.906 0.306 3 0 "[ . 1]" 2
161 3 66 VAL H 3 147 ILE O 2.200 . 2.600 2.585 2.491 2.736 0.136 2 0 "[ . 1]" 2
162 3 66 VAL N 3 147 ILE O 3.000 2.400 3.600 3.440 3.361 3.577 . 0 0 "[ . 1]" 2
stop_
save_