NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398726 |
1tp4   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tp4
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 372
_Distance_constraint_stats_list.Viol_count 849
_Distance_constraint_stats_list.Viol_total 636.019
_Distance_constraint_stats_list.Viol_max 0.195
_Distance_constraint_stats_list.Viol_rms 0.0121
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0300
_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 10 ASN 1.983 0.195 14 0 "[ . 1 . 2 .]"
1 11 PRO 0.974 0.195 14 0 "[ . 1 . 2 .]"
1 12 LEU 0.335 0.043 6 0 "[ . 1 . 2 .]"
1 13 GLU 0.325 0.074 6 0 "[ . 1 . 2 .]"
1 14 PHE 1.937 0.117 21 0 "[ . 1 . 2 .]"
1 15 LEU 1.391 0.070 2 0 "[ . 1 . 2 .]"
1 16 ARG 0.668 0.076 22 0 "[ . 1 . 2 .]"
1 19 PRO 0.441 0.141 1 0 "[ . 1 . 2 .]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 PHE 1.501 0.149 1 0 "[ . 1 . 2 .]"
1 22 GLN 0.859 0.124 1 0 "[ . 1 . 2 .]"
1 23 ASN 0.716 0.141 1 0 "[ . 1 . 2 .]"
1 24 MET 1.854 0.147 1 0 "[ . 1 . 2 .]"
1 25 ARG 1.206 0.099 1 0 "[ . 1 . 2 .]"
1 26 GLN 0.797 0.069 23 0 "[ . 1 . 2 .]"
1 27 VAL 0.096 0.019 6 0 "[ . 1 . 2 .]"
1 28 ILE 5.295 0.190 17 0 "[ . 1 . 2 .]"
1 29 GLN 0.707 0.069 23 0 "[ . 1 . 2 .]"
1 30 GLN 0.370 0.120 1 0 "[ . 1 . 2 .]"
1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 LEU 2.752 0.087 11 0 "[ . 1 . 2 .]"
1 36 PRO 2.658 0.147 1 0 "[ . 1 . 2 .]"
1 38 LEU 2.992 0.190 17 0 "[ . 1 . 2 .]"
1 39 LEU 2.392 0.087 11 0 "[ . 1 . 2 .]"
1 40 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 42 LEU 0.539 0.066 5 0 "[ . 1 . 2 .]"
1 43 GLY 0.146 0.024 17 0 "[ . 1 . 2 .]"
1 44 GLN 0.099 0.026 13 0 "[ . 1 . 2 .]"
1 45 GLU 1.850 0.087 1 0 "[ . 1 . 2 .]"
1 46 ASN 1.040 0.046 2 0 "[ . 1 . 2 .]"
1 47 PRO 0.079 0.024 17 0 "[ . 1 . 2 .]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 LEU 1.582 0.087 1 0 "[ . 1 . 2 .]"
1 50 LEU 0.071 0.018 22 0 "[ . 1 . 2 .]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 ILE 2.852 0.133 1 0 "[ . 1 . 2 .]"
1 54 SER 0.040 0.017 23 0 "[ . 1 . 2 .]"
1 55 ARG 0.648 0.076 22 0 "[ . 1 . 2 .]"
1 56 HIS 0.110 0.038 23 0 "[ . 1 . 2 .]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 PHE 0.422 0.133 1 0 "[ . 1 . 2 .]"
1 61 ILE 0.514 0.085 1 0 "[ . 1 . 2 .]"
1 64 LEU 2.216 0.116 1 0 "[ . 1 . 2 .]"
1 65 ASN 0.065 0.016 23 0 "[ . 1 . 2 .]"
1 66 GLU 1.165 0.124 1 0 "[ . 1 . 2 .]"
1 68 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 ASN HA 1 11 PRO HA 4.150 . 6.500 4.434 4.384 4.712 . 0 0 "[ . 1 . 2 .]" 1
2 1 10 ASN HA 1 11 PRO HB3 4.150 . 6.500 4.837 4.479 5.422 . 0 0 "[ . 1 . 2 .]" 1
3 1 10 ASN HA 1 11 PRO HB2 4.150 . 6.500 5.516 5.101 5.806 . 0 0 "[ . 1 . 2 .]" 1
4 1 10 ASN HA 1 11 PRO HD3 4.150 . 6.500 2.139 1.848 3.176 . 0 0 "[ . 1 . 2 .]" 1
5 1 10 ASN HA 1 55 ARG HG2 4.150 . 6.500 6.408 6.000 6.516 0.016 6 0 "[ . 1 . 2 .]" 1
6 1 10 ASN HB2 1 11 PRO HB3 4.150 . 6.500 6.494 6.271 6.695 0.195 14 0 "[ . 1 . 2 .]" 1
7 1 10 ASN HB2 1 11 PRO HD3 4.150 . 6.500 4.434 3.814 4.810 . 0 0 "[ . 1 . 2 .]" 1
8 1 10 ASN HB2 1 11 PRO HD2 4.150 . 6.500 3.792 2.869 4.863 . 0 0 "[ . 1 . 2 .]" 1
9 1 10 ASN HB2 1 13 GLU HG2 3.150 . 4.500 3.352 1.969 4.562 0.062 18 0 "[ . 1 . 2 .]" 1
10 1 11 PRO HA 1 11 PRO HD3 4.150 . 6.500 3.789 3.216 3.953 . 0 0 "[ . 1 . 2 .]" 1
11 1 11 PRO HA 1 11 PRO HD2 4.150 . 6.500 4.043 3.893 4.099 . 0 0 "[ . 1 . 2 .]" 1
12 1 11 PRO HB2 1 11 PRO HD2 3.150 . 4.500 3.838 2.960 4.063 . 0 0 "[ . 1 . 2 .]" 1
13 1 11 PRO HB2 1 11 PRO HD3 3.150 . 4.500 3.971 3.847 4.033 . 0 0 "[ . 1 . 2 .]" 1
14 1 10 ASN HA 1 11 PRO HD2 3.150 . 4.500 2.615 2.115 3.268 . 0 0 "[ . 1 . 2 .]" 1
15 1 10 ASN HA 1 11 PRO QG 3.150 . 4.500 3.927 3.655 4.205 . 0 0 "[ . 1 . 2 .]" 1
16 1 12 LEU HA 1 53 ILE HA 4.150 . 6.500 4.655 3.968 5.215 . 0 0 "[ . 1 . 2 .]" 1
17 1 12 LEU HB2 1 12 LEU MD1 3.150 . 4.500 2.665 2.094 3.172 . 0 0 "[ . 1 . 2 .]" 1
18 1 12 LEU HA 1 12 LEU MD1 3.150 . 4.500 3.410 2.541 3.958 . 0 0 "[ . 1 . 2 .]" 1
19 1 12 LEU MD1 1 12 LEU HG 2.150 . 2.500 2.105 2.080 2.125 . 0 0 "[ . 1 . 2 .]" 1
20 1 12 LEU MD1 1 56 HIS HB2 3.150 . 4.500 2.014 1.782 2.821 0.018 23 0 "[ . 1 . 2 .]" 1
21 1 12 LEU MD1 1 60 PHE HB3 3.150 . 4.500 4.241 3.374 4.530 0.030 25 0 "[ . 1 . 2 .]" 1
22 1 12 LEU MD1 1 53 ILE HA 3.150 . 4.500 2.828 1.787 4.241 0.013 22 0 "[ . 1 . 2 .]" 1
23 1 12 LEU HA 1 12 LEU MD2 2.150 . 2.650 1.925 1.776 2.620 . 0 0 "[ . 1 . 2 .]" 1
24 1 12 LEU MD2 1 12 LEU HG 2.150 . 2.500 2.113 2.085 2.128 . 0 0 "[ . 1 . 2 .]" 1
25 1 12 LEU MD2 1 42 LEU HA 4.150 . 6.500 6.237 4.358 6.543 0.043 6 0 "[ . 1 . 2 .]" 1
26 1 12 LEU MD2 1 56 HIS HA 4.150 . 6.500 6.062 5.370 6.447 . 0 0 "[ . 1 . 2 .]" 1
27 1 12 LEU MD2 1 53 ILE HA 3.150 . 4.500 3.067 1.798 4.389 0.002 18 0 "[ . 1 . 2 .]" 1
28 1 12 LEU HA 1 12 LEU HG 4.150 . 6.500 3.156 2.777 3.595 . 0 0 "[ . 1 . 2 .]" 1
29 1 13 GLU HA 1 13 GLU HG3 4.150 . 6.500 3.796 3.531 3.904 . 0 0 "[ . 1 . 2 .]" 1
30 1 10 ASN HB3 1 13 GLU HG2 3.150 . 4.500 4.360 3.275 4.574 0.074 6 0 "[ . 1 . 2 .]" 1
31 1 13 GLU HA 1 13 GLU HG2 3.150 . 4.500 3.065 2.666 3.910 . 0 0 "[ . 1 . 2 .]" 1
32 1 15 LEU HA 1 15 LEU MD2 3.150 . 4.500 2.394 1.810 4.080 . 0 0 "[ . 1 . 2 .]" 1
33 1 15 LEU HB2 1 15 LEU MD2 2.150 . 2.500 2.472 2.125 2.570 0.070 2 0 "[ . 1 . 2 .]" 1
34 1 12 LEU MD1 1 15 LEU MD1 3.150 . 4.500 3.805 2.182 4.509 0.009 13 0 "[ . 1 . 2 .]" 1
35 1 15 LEU HA 1 15 LEU MD1 3.150 . 4.500 2.716 1.997 3.497 . 0 0 "[ . 1 . 2 .]" 1
36 1 15 LEU HB3 1 15 LEU MD1 3.150 . 4.500 2.484 2.035 3.197 . 0 0 "[ . 1 . 2 .]" 1
37 1 15 LEU MD1 1 15 LEU HG 2.150 . 2.500 2.106 2.080 2.127 . 0 0 "[ . 1 . 2 .]" 1
38 1 15 LEU MD1 1 53 ILE MD 3.150 . 4.500 4.318 3.545 4.561 0.061 23 0 "[ . 1 . 2 .]" 1
39 1 15 LEU HB3 1 15 LEU MD2 3.150 . 4.500 2.903 2.093 3.198 . 0 0 "[ . 1 . 2 .]" 1
40 1 15 LEU MD2 1 49 LEU MD2 3.150 . 4.500 4.131 3.078 4.521 0.021 18 0 "[ . 1 . 2 .]" 1
41 1 15 LEU HA 1 15 LEU HG 4.150 . 6.500 3.320 2.291 3.770 . 0 0 "[ . 1 . 2 .]" 1
42 1 15 LEU HG 1 42 LEU HA 4.150 . 6.500 6.372 5.705 6.543 0.043 18 0 "[ . 1 . 2 .]" 1
43 1 12 LEU HA 1 15 LEU HG 4.150 . 6.500 3.863 3.227 4.748 . 0 0 "[ . 1 . 2 .]" 1
44 1 15 LEU HG 1 39 LEU HA 4.150 . 6.500 6.162 5.417 6.534 0.034 22 0 "[ . 1 . 2 .]" 1
45 1 16 ARG HA 1 16 ARG HD3 3.150 . 4.500 4.449 4.212 4.532 0.032 13 0 "[ . 1 . 2 .]" 1
46 1 16 ARG HA 1 16 ARG HD2 4.150 . 6.500 4.757 4.564 4.889 . 0 0 "[ . 1 . 2 .]" 1
47 1 16 ARG HA 1 16 ARG QG 3.150 . 4.500 2.373 2.218 2.480 . 0 0 "[ . 1 . 2 .]" 1
48 1 16 ARG HA 1 16 ARG HG3 4.150 . 6.500 2.607 2.296 2.775 . 0 0 "[ . 1 . 2 .]" 1
49 1 16 ARG HA 1 16 ARG HG2 4.150 . 6.500 2.778 2.367 3.170 . 0 0 "[ . 1 . 2 .]" 1
50 1 19 PRO HB3 1 19 PRO HD3 4.150 . 6.500 3.090 2.979 4.050 . 0 0 "[ . 1 . 2 .]" 1
51 1 19 PRO HB2 1 19 PRO HD3 4.150 . 6.500 3.961 3.874 3.984 . 0 0 "[ . 1 . 2 .]" 1
52 1 19 PRO HA 1 19 PRO HD3 4.150 . 6.500 3.752 3.629 3.792 . 0 0 "[ . 1 . 2 .]" 1
53 1 19 PRO HA 1 19 PRO HD2 4.150 . 6.500 4.081 3.932 4.101 . 0 0 "[ . 1 . 2 .]" 1
54 1 19 PRO HB3 1 19 PRO HD2 4.150 . 6.500 3.873 3.861 3.898 . 0 0 "[ . 1 . 2 .]" 1
55 1 19 PRO HB2 1 19 PRO HD2 4.150 . 6.500 3.975 2.954 4.044 . 0 0 "[ . 1 . 2 .]" 1
56 1 19 PRO HA 1 19 PRO HG3 4.150 . 6.500 4.006 2.999 4.058 . 0 0 "[ . 1 . 2 .]" 1
57 1 19 PRO HA 1 19 PRO HG2 4.150 . 6.500 3.851 3.833 3.936 . 0 0 "[ . 1 . 2 .]" 1
58 1 20 GLN HA 1 23 ASN QB 3.150 . 4.500 2.572 2.044 2.949 . 0 0 "[ . 1 . 2 .]" 1
59 1 21 PHE HA 1 24 MET HB3 4.150 . 6.500 4.868 4.396 5.378 . 0 0 "[ . 1 . 2 .]" 1
60 1 21 PHE HA 1 24 MET HG3 4.150 . 6.500 4.746 4.305 5.641 . 0 0 "[ . 1 . 2 .]" 1
61 1 22 GLN HA 1 22 GLN HG3 4.150 . 6.500 2.952 2.081 3.765 . 0 0 "[ . 1 . 2 .]" 1
62 1 22 GLN HA 1 25 ARG HD2 4.150 . 6.500 4.152 3.006 6.331 . 0 0 "[ . 1 . 2 .]" 1
63 1 22 GLN HA 1 25 ARG HG3 4.150 . 6.500 4.005 3.067 5.028 . 0 0 "[ . 1 . 2 .]" 1
64 1 22 GLN HA 1 66 GLU HA 4.150 . 6.500 6.534 6.500 6.624 0.124 1 0 "[ . 1 . 2 .]" 1
65 1 19 PRO HG3 1 23 ASN HA 4.150 . 6.500 6.503 6.317 6.641 0.141 1 0 "[ . 1 . 2 .]" 1
66 1 23 ASN HA 1 23 ASN QB 2.150 . 2.500 2.459 2.357 2.534 0.034 14 0 "[ . 1 . 2 .]" 1
67 1 23 ASN HA 1 27 VAL MG1 3.150 . 4.500 4.283 2.930 4.519 0.019 6 0 "[ . 1 . 2 .]" 1
68 1 20 GLN HA 1 23 ASN HB3 4.150 . 6.500 3.324 2.305 4.263 . 0 0 "[ . 1 . 2 .]" 1
69 1 20 GLN HA 1 23 ASN HB2 3.150 . 4.500 2.973 2.060 4.078 . 0 0 "[ . 1 . 2 .]" 1
70 1 24 MET HA 1 24 MET HG3 3.150 . 4.500 2.701 2.425 2.995 . 0 0 "[ . 1 . 2 .]" 1
71 1 24 MET HA 1 24 MET HG2 4.150 . 6.500 2.891 2.580 3.301 . 0 0 "[ . 1 . 2 .]" 1
72 1 24 MET HA 1 27 VAL MG2 3.150 . 4.500 2.767 1.972 4.513 0.013 13 0 "[ . 1 . 2 .]" 1
73 1 24 MET HB3 1 36 PRO HB3 3.150 . 4.500 3.258 2.956 3.949 . 0 0 "[ . 1 . 2 .]" 1
74 1 21 PHE HA 1 24 MET HB2 3.150 . 4.500 3.276 2.775 3.762 . 0 0 "[ . 1 . 2 .]" 1
75 1 20 GLN QB 1 24 MET HG2 4.150 . 6.500 5.153 4.184 5.924 . 0 0 "[ . 1 . 2 .]" 1
76 1 24 MET HG2 1 38 LEU HA 4.150 . 7.500 4.445 4.310 4.646 . 0 0 "[ . 1 . 2 .]" 1
77 1 25 ARG HA 1 25 ARG HD2 4.150 . 6.500 4.426 2.422 5.027 . 0 0 "[ . 1 . 2 .]" 1
78 1 25 ARG HA 1 28 ILE MD 3.150 . 4.500 1.944 1.793 4.136 0.007 25 0 "[ . 1 . 2 .]" 1
79 1 25 ARG HA 1 28 ILE QG 4.150 . 6.500 2.220 2.038 4.698 . 0 0 "[ . 1 . 2 .]" 1
80 1 25 ARG HA 1 64 LEU MD1 4.150 . 6.500 3.028 2.344 4.526 . 0 0 "[ . 1 . 2 .]" 1
81 1 22 GLN HA 1 25 ARG HB3 3.150 . 4.500 3.365 2.270 4.132 . 0 0 "[ . 1 . 2 .]" 1
82 1 25 ARG HB3 1 25 ARG HD2 3.150 . 4.500 3.226 2.647 3.986 . 0 0 "[ . 1 . 2 .]" 1
83 1 25 ARG HB3 1 64 LEU MD1 4.150 . 6.500 4.608 3.746 6.214 . 0 0 "[ . 1 . 2 .]" 1
84 1 22 GLN HA 1 25 ARG HB2 4.150 . 6.500 3.890 2.402 4.822 . 0 0 "[ . 1 . 2 .]" 1
85 1 25 ARG HB2 1 25 ARG HD2 4.150 . 6.500 2.956 2.049 4.194 . 0 0 "[ . 1 . 2 .]" 1
86 1 25 ARG HB2 1 64 LEU MD2 4.150 . 6.500 3.464 2.268 4.850 . 0 0 "[ . 1 . 2 .]" 1
87 1 25 ARG HA 1 25 ARG HD3 4.150 . 6.500 4.325 1.830 5.126 . 0 0 "[ . 1 . 2 .]" 1
88 1 25 ARG HB3 1 25 ARG HD3 4.150 . 6.500 2.713 2.001 4.180 . 0 0 "[ . 1 . 2 .]" 1
89 1 25 ARG HB2 1 25 ARG HD3 4.150 . 6.500 3.017 2.079 3.577 . 0 0 "[ . 1 . 2 .]" 1
90 1 25 ARG HD3 1 64 LEU MD2 4.150 . 6.500 4.613 2.785 5.420 . 0 0 "[ . 1 . 2 .]" 1
91 1 25 ARG HD2 1 64 LEU HA 3.150 . 4.500 3.853 1.815 4.599 0.099 1 0 "[ . 1 . 2 .]" 1
92 1 25 ARG HD2 1 64 LEU MD2 4.150 . 6.500 4.824 1.775 5.825 0.025 25 0 "[ . 1 . 2 .]" 1
93 1 25 ARG HA 1 25 ARG HG3 3.150 . 4.500 3.343 2.332 3.706 . 0 0 "[ . 1 . 2 .]" 1
94 1 25 ARG HG3 1 64 LEU HA 4.150 . 6.500 3.663 1.835 4.818 . 0 0 "[ . 1 . 2 .]" 1
95 1 25 ARG HG3 1 64 LEU MD2 4.150 . 6.500 4.404 2.144 5.426 . 0 0 "[ . 1 . 2 .]" 1
96 1 25 ARG HG3 1 65 ASN HA 4.150 . 6.500 5.886 4.376 6.516 0.016 23 0 "[ . 1 . 2 .]" 1
97 1 25 ARG HA 1 25 ARG HG2 4.150 . 6.500 3.429 2.622 4.017 . 0 0 "[ . 1 . 2 .]" 1
98 1 25 ARG HG2 1 64 LEU HA 3.150 . 4.500 3.666 1.783 4.512 0.017 15 0 "[ . 1 . 2 .]" 1
99 1 25 ARG HG2 1 64 LEU MD2 4.150 . 6.500 4.241 2.438 5.050 . 0 0 "[ . 1 . 2 .]" 1
100 1 23 ASN HA 1 26 GLN HG3 3.150 . 4.500 3.774 2.598 4.519 0.019 12 0 "[ . 1 . 2 .]" 1
101 1 26 GLN HA 1 26 GLN HG3 4.150 . 6.500 3.455 2.708 3.804 . 0 0 "[ . 1 . 2 .]" 1
102 1 26 GLN HA 1 26 GLN HG2 4.150 . 6.500 2.792 2.031 3.912 . 0 0 "[ . 1 . 2 .]" 1
103 1 24 MET HA 1 27 VAL MG1 3.150 . 4.500 3.228 1.972 4.136 . 0 0 "[ . 1 . 2 .]" 1
104 1 27 VAL HA 1 27 VAL MG1 3.150 . 4.500 2.518 2.124 3.185 . 0 0 "[ . 1 . 2 .]" 1
105 1 27 VAL HA 1 27 VAL MG2 3.150 . 4.500 3.022 2.428 3.207 . 0 0 "[ . 1 . 2 .]" 1
106 1 27 VAL HB 1 27 VAL MG2 2.150 . 2.500 2.124 2.088 2.130 . 0 0 "[ . 1 . 2 .]" 1
107 1 28 ILE HA 1 28 ILE QG 3.150 . 4.500 3.278 2.518 3.323 . 0 0 "[ . 1 . 2 .]" 1
108 1 28 ILE HA 1 29 GLN QB 4.150 . 6.500 5.160 5.128 5.192 . 0 0 "[ . 1 . 2 .]" 1
109 1 28 ILE HA 1 32 PRO HA 4.150 . 6.500 2.332 2.052 3.232 . 0 0 "[ . 1 . 2 .]" 1
110 1 28 ILE HA 1 64 LEU HA 4.150 . 8.500 8.428 7.960 8.616 0.116 1 0 "[ . 1 . 2 .]" 1
111 1 25 ARG HA 1 28 ILE HB 3.150 . 4.500 4.502 3.679 4.571 0.071 25 0 "[ . 1 . 2 .]" 1
112 1 28 ILE HB 1 32 PRO HA 4.150 . 6.500 2.871 2.470 4.701 . 0 0 "[ . 1 . 2 .]" 1
113 1 28 ILE HB 1 64 LEU MD1 3.150 . 4.500 3.779 3.269 4.510 0.010 14 0 "[ . 1 . 2 .]" 1
114 1 28 ILE HA 1 28 ILE MD 3.150 . 4.500 4.019 3.870 4.145 . 0 0 "[ . 1 . 2 .]" 1
115 1 28 ILE HB 1 28 ILE MD 3.150 . 4.500 2.817 2.290 2.946 . 0 0 "[ . 1 . 2 .]" 1
116 1 28 ILE MD 1 28 ILE MG 2.150 . 2.500 1.797 1.740 2.150 0.060 1 0 "[ . 1 . 2 .]" 1
117 1 28 ILE MD 1 32 PRO HA 4.150 . 6.500 5.082 4.809 5.419 . 0 0 "[ . 1 . 2 .]" 1
118 1 28 ILE MD 1 38 LEU HA 4.150 . 6.500 6.461 4.762 6.622 0.122 23 0 "[ . 1 . 2 .]" 1
119 1 28 ILE MD 1 38 LEU HB2 4.150 . 6.500 4.279 2.754 4.591 . 0 0 "[ . 1 . 2 .]" 1
120 1 28 ILE MD 1 64 LEU HB2 4.150 . 6.500 4.846 4.358 6.088 . 0 0 "[ . 1 . 2 .]" 1
121 1 28 ILE QG 1 64 LEU MD2 4.150 . 6.500 3.264 2.765 4.184 . 0 0 "[ . 1 . 2 .]" 1
122 1 28 ILE HA 1 28 ILE MG 3.150 . 4.500 2.271 2.008 2.322 . 0 0 "[ . 1 . 2 .]" 1
123 1 28 ILE MG 1 32 PRO HA 3.150 . 4.500 3.110 2.312 3.387 . 0 0 "[ . 1 . 2 .]" 1
124 1 28 ILE MG 1 38 LEU HA 4.150 . 6.500 6.574 6.497 6.690 0.190 17 0 "[ . 1 . 2 .]" 1
125 1 29 GLN HA 1 29 GLN HG3 3.150 . 4.500 3.236 2.668 3.660 . 0 0 "[ . 1 . 2 .]" 1
126 1 29 GLN HA 1 29 GLN HG2 4.150 . 6.500 3.520 2.265 3.983 . 0 0 "[ . 1 . 2 .]" 1
127 1 26 GLN QB 1 29 GLN HA 4.150 . 6.500 6.516 6.367 6.569 0.069 23 0 "[ . 1 . 2 .]" 1
128 1 29 GLN QB 1 30 GLN HA 4.150 . 6.500 4.445 3.733 4.565 . 0 0 "[ . 1 . 2 .]" 1
129 1 30 GLN HA 1 30 GLN HG3 4.150 . 6.500 3.005 2.581 3.365 . 0 0 "[ . 1 . 2 .]" 1
130 1 30 GLN QB 1 30 GLN HG3 2.150 . 2.500 2.413 2.212 2.529 0.029 1 0 "[ . 1 . 2 .]" 1
131 1 30 GLN HG3 1 66 GLU HG3 4.150 . 6.500 6.328 5.641 6.620 0.120 1 0 "[ . 1 . 2 .]" 1
132 1 30 GLN HA 1 30 GLN HG2 4.150 . 6.500 2.833 2.224 3.444 . 0 0 "[ . 1 . 2 .]" 1
133 1 28 ILE QG 1 32 PRO HA 4.150 . 6.500 4.427 4.165 4.922 . 0 0 "[ . 1 . 2 .]" 1
134 1 32 PRO HA 1 32 PRO HD3 4.150 . 6.500 3.675 3.560 3.727 . 0 0 "[ . 1 . 2 .]" 1
135 1 32 PRO HA 1 32 PRO HD2 3.150 . 4.500 4.108 4.099 4.111 . 0 0 "[ . 1 . 2 .]" 1
136 1 32 PRO HA 1 32 PRO HG3 4.150 . 6.500 4.060 4.022 4.069 . 0 0 "[ . 1 . 2 .]" 1
137 1 33 ALA HA 1 33 ALA MB 2.150 . 2.500 2.107 2.080 2.126 . 0 0 "[ . 1 . 2 .]" 1
138 1 34 LEU HA 1 34 LEU MD1 4.150 . 6.500 3.357 1.849 4.068 . 0 0 "[ . 1 . 2 .]" 1
139 1 34 LEU HA 1 34 LEU MD2 4.150 . 6.500 3.138 1.850 4.054 . 0 0 "[ . 1 . 2 .]" 1
140 1 35 LEU HA 1 35 LEU QD 3.150 . 4.500 2.990 2.008 3.440 . 0 0 "[ . 1 . 2 .]" 1
141 1 28 ILE MG 1 35 LEU HA 4.150 . 6.500 2.554 1.948 3.280 . 0 0 "[ . 1 . 2 .]" 1
142 1 35 LEU QB 1 36 PRO HD2 3.150 . 4.500 2.620 2.055 3.496 . 0 0 "[ . 1 . 2 .]" 1
143 1 35 LEU QB 1 38 LEU MD2 4.150 . 6.500 6.266 5.871 6.537 0.037 4 0 "[ . 1 . 2 .]" 1
144 1 35 LEU HA 1 35 LEU MD1 3.150 . 4.500 3.527 2.940 3.838 . 0 0 "[ . 1 . 2 .]" 1
145 1 28 ILE MD 1 35 LEU MD1 4.150 . 6.500 4.792 4.393 5.739 . 0 0 "[ . 1 . 2 .]" 1
146 1 35 LEU MD1 1 39 LEU HG 4.150 . 6.500 6.366 6.059 6.536 0.036 17 0 "[ . 1 . 2 .]" 1
147 1 35 LEU MD1 1 64 LEU MD1 4.150 . 6.500 4.796 4.247 5.855 . 0 0 "[ . 1 . 2 .]" 1
148 1 35 LEU MD1 1 64 LEU MD2 4.150 . 6.500 5.362 4.616 6.526 0.026 18 0 "[ . 1 . 2 .]" 1
149 1 35 LEU HA 1 35 LEU MD2 3.150 . 4.500 3.392 2.045 4.094 . 0 0 "[ . 1 . 2 .]" 1
150 1 35 LEU MD2 1 36 PRO HD2 3.150 . 4.500 3.267 1.736 4.190 0.064 24 0 "[ . 1 . 2 .]" 1
151 1 35 LEU MD2 1 39 LEU MD1 4.150 . 6.500 5.806 4.709 6.452 . 0 0 "[ . 1 . 2 .]" 1
152 1 35 LEU MD2 1 64 LEU MD1 4.150 . 6.500 5.754 3.762 6.531 0.031 17 0 "[ . 1 . 2 .]" 1
153 1 35 LEU HA 1 35 LEU HG 3.150 . 4.500 3.632 3.124 3.919 . 0 0 "[ . 1 . 2 .]" 1
154 1 35 LEU HG 1 36 PRO HD2 3.150 . 4.500 3.381 1.864 4.200 . 0 0 "[ . 1 . 2 .]" 1
155 1 35 LEU HG 1 39 LEU MD1 4.150 . 6.500 6.425 5.416 6.587 0.087 11 0 "[ . 1 . 2 .]" 1
156 1 36 PRO HA 1 36 PRO HG2 4.150 . 6.500 3.993 3.853 4.088 . 0 0 "[ . 1 . 2 .]" 1
157 1 36 PRO HA 1 39 LEU HB2 4.150 . 7.150 5.869 4.957 6.452 . 0 0 "[ . 1 . 2 .]" 1
158 1 36 PRO HA 1 39 LEU MD1 4.150 . 6.500 6.192 5.758 6.509 0.009 5 0 "[ . 1 . 2 .]" 1
159 1 36 PRO HB3 1 36 PRO HG3 2.150 . 2.500 2.294 2.264 2.325 . 0 0 "[ . 1 . 2 .]" 1
160 1 24 MET HB3 1 36 PRO HB2 3.150 . 4.500 4.549 4.495 4.647 0.147 1 0 "[ . 1 . 2 .]" 1
161 1 36 PRO HB2 1 36 PRO HD3 3.150 . 4.500 3.940 3.878 4.039 . 0 0 "[ . 1 . 2 .]" 1
162 1 36 PRO HB2 1 36 PRO HD2 3.150 . 4.500 3.407 2.998 4.065 . 0 0 "[ . 1 . 2 .]" 1
163 1 35 LEU QB 1 36 PRO HD3 3.150 . 4.500 2.996 2.029 4.554 0.054 24 0 "[ . 1 . 2 .]" 1
164 1 35 LEU MD2 1 36 PRO HD3 3.150 . 4.500 4.104 3.092 4.587 0.087 19 0 "[ . 1 . 2 .]" 1
165 1 36 PRO HA 1 36 PRO HD3 3.150 . 4.500 3.680 3.066 3.959 . 0 0 "[ . 1 . 2 .]" 1
166 1 36 PRO HB3 1 36 PRO HD3 3.150 . 4.500 3.672 2.921 4.045 . 0 0 "[ . 1 . 2 .]" 1
167 1 36 PRO HD3 1 36 PRO HG3 2.150 . 2.500 2.318 2.299 2.328 . 0 0 "[ . 1 . 2 .]" 1
168 1 36 PRO HA 1 36 PRO HD2 3.150 . 4.500 3.952 3.893 4.085 . 0 0 "[ . 1 . 2 .]" 1
169 1 36 PRO HB3 1 36 PRO HD2 4.150 . 6.500 3.913 3.870 4.039 . 0 0 "[ . 1 . 2 .]" 1
170 1 38 LEU HA 1 38 LEU MD1 4.150 . 6.500 1.928 1.810 2.306 . 0 0 "[ . 1 . 2 .]" 1
171 1 38 LEU MD1 1 39 LEU HA 4.150 . 6.500 5.488 5.150 5.778 . 0 0 "[ . 1 . 2 .]" 1
172 1 38 LEU HA 1 38 LEU MD2 4.150 . 6.500 2.910 2.206 3.478 . 0 0 "[ . 1 . 2 .]" 1
173 1 38 LEU HA 1 38 LEU HG 4.150 . 6.500 3.628 3.533 3.728 . 0 0 "[ . 1 . 2 .]" 1
174 1 39 LEU HA 1 39 LEU MD1 3.150 . 4.500 3.526 3.377 3.844 . 0 0 "[ . 1 . 2 .]" 1
175 1 39 LEU HA 1 39 LEU MD2 3.150 . 4.500 2.021 1.833 2.915 . 0 0 "[ . 1 . 2 .]" 1
176 1 35 LEU MD1 1 39 LEU MD1 3.150 . 4.500 4.373 4.123 4.566 0.066 18 0 "[ . 1 . 2 .]" 1
177 1 39 LEU HB2 1 39 LEU MD1 3.150 . 4.500 3.045 2.356 3.171 . 0 0 "[ . 1 . 2 .]" 1
178 1 39 LEU MD1 1 53 ILE MD 3.150 . 4.500 4.501 4.186 4.559 0.059 11 0 "[ . 1 . 2 .]" 1
179 1 39 LEU MD1 1 53 ILE MG 3.150 . 4.500 4.450 4.035 4.544 0.044 12 0 "[ . 1 . 2 .]" 1
180 1 39 LEU MD1 1 64 LEU MD1 4.150 . 6.500 5.788 4.756 6.522 0.022 1 0 "[ . 1 . 2 .]" 1
181 1 39 LEU MD2 1 53 ILE MD 4.150 . 6.500 2.744 2.426 3.356 . 0 0 "[ . 1 . 2 .]" 1
182 1 39 LEU MD2 1 53 ILE MG 3.150 . 4.500 2.669 2.282 4.187 . 0 0 "[ . 1 . 2 .]" 1
183 1 39 LEU HA 1 39 LEU HG 4.150 . 6.500 3.632 2.594 3.974 . 0 0 "[ . 1 . 2 .]" 1
184 1 40 GLN HA 1 40 GLN HG3 4.150 . 6.500 2.811 2.046 3.811 . 0 0 "[ . 1 . 2 .]" 1
185 1 40 GLN HA 1 40 GLN HG2 4.150 . 6.500 2.976 2.186 3.778 . 0 0 "[ . 1 . 2 .]" 1
186 1 42 LEU HA 1 42 LEU HG 4.150 . 6.500 2.950 2.136 3.662 . 0 0 "[ . 1 . 2 .]" 1
187 1 42 LEU HA 1 44 GLN QG 4.150 . 6.500 6.158 4.557 6.526 0.026 13 0 "[ . 1 . 2 .]" 1
188 1 42 LEU HA 1 44 GLN QB 4.150 . 6.500 5.483 5.198 6.208 . 0 0 "[ . 1 . 2 .]" 1
189 1 42 LEU HA 1 42 LEU MD1 4.150 . 6.500 3.054 1.853 3.881 . 0 0 "[ . 1 . 2 .]" 1
190 1 42 LEU HA 1 42 LEU MD2 4.150 . 6.500 2.592 1.870 3.811 . 0 0 "[ . 1 . 2 .]" 1
191 1 42 LEU MD2 1 53 ILE MD 4.150 . 6.500 3.481 1.800 4.835 . 0 0 "[ . 1 . 2 .]" 1
192 1 42 LEU MD2 1 49 LEU HB2 4.150 . 6.500 5.844 4.733 6.566 0.066 5 0 "[ . 1 . 2 .]" 1
193 1 42 LEU MD2 1 49 LEU MD2 4.150 . 6.500 2.774 1.837 3.532 . 0 0 "[ . 1 . 2 .]" 1
194 1 42 LEU MD1 1 43 GLY HA3 4.150 . 6.500 5.911 5.535 6.228 . 0 0 "[ . 1 . 2 .]" 1
195 1 43 GLY HA3 1 50 LEU HB3 3.150 . 4.500 4.298 3.437 4.518 0.018 22 0 "[ . 1 . 2 .]" 1
196 1 43 GLY HA3 1 50 LEU HB2 4.150 . 6.500 2.930 2.256 4.618 . 0 0 "[ . 1 . 2 .]" 1
197 1 43 GLY HA3 1 47 PRO HA 4.150 . 6.500 6.248 5.605 6.524 0.024 17 0 "[ . 1 . 2 .]" 1
198 1 42 LEU MD1 1 43 GLY HA2 4.150 . 6.500 5.587 4.655 6.108 . 0 0 "[ . 1 . 2 .]" 1
199 1 43 GLY HA2 1 50 LEU HB2 3.150 . 4.500 2.815 2.191 4.475 . 0 0 "[ . 1 . 2 .]" 1
200 1 43 GLY HA2 1 47 PRO HA 4.150 . 6.500 5.528 4.814 5.897 . 0 0 "[ . 1 . 2 .]" 1
201 1 45 GLU HA 1 45 GLU HG2 4.150 . 6.500 3.843 3.784 3.911 . 0 0 "[ . 1 . 2 .]" 1
202 1 45 GLU HA 1 46 ASN HA 3.150 . 4.500 4.541 4.537 4.546 0.046 2 0 "[ . 1 . 2 .]" 1
203 1 45 GLU HA 1 45 GLU HG3 4.150 . 6.500 3.640 3.601 3.666 . 0 0 "[ . 1 . 2 .]" 1
204 1 46 ASN HA 1 47 PRO HD3 4.150 . 6.500 2.373 2.173 2.753 . 0 0 "[ . 1 . 2 .]" 1
205 1 46 ASN HA 1 47 PRO HD2 4.150 . 6.500 2.073 1.835 2.229 . 0 0 "[ . 1 . 2 .]" 1
206 1 46 ASN HA 1 47 PRO HG3 4.150 . 6.500 4.378 4.328 4.439 . 0 0 "[ . 1 . 2 .]" 1
207 1 46 ASN HA 1 47 PRO HG2 4.150 . 6.500 4.232 3.976 4.357 . 0 0 "[ . 1 . 2 .]" 1
208 1 46 ASN HB3 1 49 LEU HB3 3.150 . 4.500 3.494 2.453 3.858 . 0 0 "[ . 1 . 2 .]" 1
209 1 46 ASN HB2 1 49 LEU HB3 3.150 . 4.500 3.512 1.887 4.469 . 0 0 "[ . 1 . 2 .]" 1
210 1 46 ASN HB2 1 49 LEU HB2 4.150 . 6.500 2.130 1.863 2.877 . 0 0 "[ . 1 . 2 .]" 1
211 1 47 PRO HA 1 47 PRO HD2 4.150 . 6.500 3.979 3.928 4.083 . 0 0 "[ . 1 . 2 .]" 1
212 1 47 PRO HA 1 47 PRO HG2 4.150 . 6.500 3.886 3.864 3.895 . 0 0 "[ . 1 . 2 .]" 1
213 1 47 PRO HB3 1 47 PRO HD3 4.150 . 6.500 3.650 2.952 4.027 . 0 0 "[ . 1 . 2 .]" 1
214 1 47 PRO HB3 1 47 PRO HD2 4.150 . 6.500 3.938 3.883 3.967 . 0 0 "[ . 1 . 2 .]" 1
215 1 47 PRO HB2 1 47 PRO HD3 4.150 . 6.500 3.884 3.876 3.896 . 0 0 "[ . 1 . 2 .]" 1
216 1 47 PRO HA 1 47 PRO HD3 4.150 . 6.500 3.466 3.325 3.548 . 0 0 "[ . 1 . 2 .]" 1
217 1 47 PRO HA 1 47 PRO HG3 4.150 . 6.500 3.296 2.922 3.996 . 0 0 "[ . 1 . 2 .]" 1
218 1 48 GLN HA 1 48 GLN QG 2.150 . 2.500 2.297 2.078 2.473 . 0 0 "[ . 1 . 2 .]" 1
219 1 45 GLU HG3 1 49 LEU HA 4.150 . 6.500 6.533 6.520 6.587 0.087 1 0 "[ . 1 . 2 .]" 1
220 1 49 LEU HB3 1 49 LEU MD2 3.150 . 4.500 2.172 1.942 2.506 . 0 0 "[ . 1 . 2 .]" 1
221 1 46 ASN HB3 1 49 LEU HB2 4.150 . 6.500 2.020 1.867 2.577 . 0 0 "[ . 1 . 2 .]" 1
222 1 46 ASN HB3 1 49 LEU MD1 3.150 . 4.500 2.733 1.836 4.347 . 0 0 "[ . 1 . 2 .]" 1
223 1 46 ASN HB2 1 49 LEU MD1 3.150 . 4.500 2.349 1.795 4.138 0.005 9 0 "[ . 1 . 2 .]" 1
224 1 49 LEU HA 1 49 LEU MD1 3.150 . 4.500 2.454 1.842 3.576 . 0 0 "[ . 1 . 2 .]" 1
225 1 49 LEU HA 1 49 LEU MD2 3.150 . 4.500 3.732 3.551 3.869 . 0 0 "[ . 1 . 2 .]" 1
226 1 49 LEU HB2 1 49 LEU MD2 3.150 . 4.500 2.592 2.153 3.065 . 0 0 "[ . 1 . 2 .]" 1
227 1 49 LEU MD1 1 49 LEU MD2 2.150 . 2.500 2.026 1.881 2.090 . 0 0 "[ . 1 . 2 .]" 1
228 1 49 LEU HA 1 49 LEU HG 4.150 . 6.500 2.557 2.154 3.600 . 0 0 "[ . 1 . 2 .]" 1
229 1 50 LEU HA 1 50 LEU QD 3.150 . 4.500 2.691 1.860 3.252 . 0 0 "[ . 1 . 2 .]" 1
230 1 50 LEU HA 1 53 ILE MG 4.150 . 6.500 3.200 2.435 3.713 . 0 0 "[ . 1 . 2 .]" 1
231 1 43 GLY HA2 1 50 LEU HB3 3.150 . 4.500 3.899 2.865 4.395 . 0 0 "[ . 1 . 2 .]" 1
232 1 47 PRO HA 1 50 LEU HB3 4.150 . 6.500 4.728 4.079 5.761 . 0 0 "[ . 1 . 2 .]" 1
233 1 47 PRO HA 1 50 LEU HB2 4.150 . 6.500 5.177 4.358 6.502 0.002 4 0 "[ . 1 . 2 .]" 1
234 1 50 LEU HA 1 50 LEU MD2 3.150 . 4.500 3.606 1.871 4.136 . 0 0 "[ . 1 . 2 .]" 1
235 1 50 LEU HB3 1 50 LEU MD2 3.150 . 4.500 2.256 1.939 3.172 . 0 0 "[ . 1 . 2 .]" 1
236 1 50 LEU HB2 1 50 LEU MD2 3.150 . 4.500 2.719 2.171 3.181 . 0 0 "[ . 1 . 2 .]" 1
237 1 50 LEU MD2 1 53 ILE HB 4.150 . 6.500 4.859 2.751 6.218 . 0 0 "[ . 1 . 2 .]" 1
238 1 50 LEU HA 1 50 LEU HG 4.150 . 6.500 2.972 2.169 4.238 . 0 0 "[ . 1 . 2 .]" 1
239 1 51 GLN HA 1 51 GLN HG3 4.150 . 6.500 3.268 2.048 3.803 . 0 0 "[ . 1 . 2 .]" 1
240 1 51 GLN HA 1 51 GLN HG2 4.150 . 6.500 2.782 2.236 3.642 . 0 0 "[ . 1 . 2 .]" 1
241 1 53 ILE HA 1 53 ILE MG 3.150 . 4.500 2.615 2.385 3.042 . 0 0 "[ . 1 . 2 .]" 1
242 1 53 ILE HA 1 56 HIS HB2 4.150 . 6.500 4.889 2.716 5.658 . 0 0 "[ . 1 . 2 .]" 1
243 1 10 ASN HB3 1 53 ILE HB 4.150 . 6.500 6.520 6.435 6.574 0.074 13 0 "[ . 1 . 2 .]" 1
244 1 50 LEU HA 1 53 ILE HB 4.150 . 6.500 2.118 1.841 2.550 . 0 0 "[ . 1 . 2 .]" 1
245 1 15 LEU HG 1 53 ILE MD 4.150 . 6.500 4.439 3.301 5.767 . 0 0 "[ . 1 . 2 .]" 1
246 1 49 LEU HA 1 53 ILE MD 4.150 . 6.500 3.985 3.065 5.356 . 0 0 "[ . 1 . 2 .]" 1
247 1 49 LEU MD2 1 53 ILE MD 3.150 . 4.500 1.904 1.734 2.581 0.066 22 0 "[ . 1 . 2 .]" 1
248 1 49 LEU HG 1 53 ILE MD 2.150 . 2.500 2.452 1.811 2.531 0.031 22 0 "[ . 1 . 2 .]" 1
249 1 50 LEU HA 1 53 ILE MD 3.150 . 4.500 2.441 1.844 3.529 . 0 0 "[ . 1 . 2 .]" 1
250 1 53 ILE HA 1 53 ILE MD 3.150 . 4.500 3.724 3.492 3.835 . 0 0 "[ . 1 . 2 .]" 1
251 1 50 LEU HA 1 53 ILE HG13 4.150 . 6.500 3.534 2.651 4.839 . 0 0 "[ . 1 . 2 .]" 1
252 1 53 ILE HA 1 53 ILE HG13 4.150 . 6.500 2.756 2.311 3.275 . 0 0 "[ . 1 . 2 .]" 1
253 1 53 ILE HG13 1 53 ILE MG 3.150 . 4.500 3.181 3.131 3.204 . 0 0 "[ . 1 . 2 .]" 1
254 1 50 LEU HA 1 53 ILE HG12 4.150 . 6.500 4.463 4.092 5.298 . 0 0 "[ . 1 . 2 .]" 1
255 1 53 ILE HA 1 53 ILE HG12 3.150 . 4.500 2.441 2.175 2.784 . 0 0 "[ . 1 . 2 .]" 1
256 1 53 ILE MD 1 53 ILE HG12 2.150 . 2.500 2.091 2.072 2.118 . 0 0 "[ . 1 . 2 .]" 1
257 1 53 ILE HG12 1 53 ILE MG 3.150 . 4.500 2.405 2.160 2.714 . 0 0 "[ . 1 . 2 .]" 1
258 1 39 LEU HG 1 53 ILE MG 3.150 . 4.500 4.440 4.129 4.541 0.041 23 0 "[ . 1 . 2 .]" 1
259 1 49 LEU MD2 1 53 ILE MG 3.150 . 4.500 4.442 3.778 4.540 0.040 6 0 "[ . 1 . 2 .]" 1
260 1 53 ILE MD 1 53 ILE MG 3.150 . 4.500 2.012 1.775 2.456 0.025 6 0 "[ . 1 . 2 .]" 1
261 1 53 ILE MG 1 60 PHE HB3 3.150 . 4.500 4.345 3.936 4.633 0.133 1 0 "[ . 1 . 2 .]" 1
262 1 53 ILE HA 1 54 SER HA 4.150 . 6.500 4.900 4.748 4.990 . 0 0 "[ . 1 . 2 .]" 1
263 1 53 ILE MG 1 54 SER HA 3.150 . 4.500 3.275 2.851 3.878 . 0 0 "[ . 1 . 2 .]" 1
264 1 54 SER HA 1 54 SER QB 2.150 . 2.500 2.361 2.160 2.517 0.017 23 0 "[ . 1 . 2 .]" 1
265 1 50 LEU MD2 1 54 SER QB 4.150 . 6.500 4.825 3.161 6.348 . 0 0 "[ . 1 . 2 .]" 1
266 1 16 ARG HD2 1 55 ARG HA 4.150 . 6.500 6.516 6.494 6.576 0.076 22 0 "[ . 1 . 2 .]" 1
267 1 55 ARG HA 1 55 ARG HG2 3.150 . 4.500 3.507 2.282 4.224 . 0 0 "[ . 1 . 2 .]" 1
268 1 55 ARG HB2 1 55 ARG HG2 2.150 . 2.650 2.440 2.245 2.682 0.032 18 0 "[ . 1 . 2 .]" 1
269 1 55 ARG HA 1 55 ARG QD 4.150 . 6.500 2.302 1.824 4.301 . 0 0 "[ . 1 . 2 .]" 1
270 1 55 ARG HA 1 55 ARG HG3 4.150 . 6.500 3.118 2.452 3.734 . 0 0 "[ . 1 . 2 .]" 1
271 1 16 ARG HD2 1 55 ARG HG2 4.150 . 6.500 5.538 3.872 6.524 0.024 25 0 "[ . 1 . 2 .]" 1
272 1 12 LEU MD1 1 56 HIS HA 3.150 . 4.500 3.913 3.475 4.497 . 0 0 "[ . 1 . 2 .]" 1
273 1 12 LEU MD1 1 56 HIS HB3 4.150 . 6.500 2.181 1.833 3.376 . 0 0 "[ . 1 . 2 .]" 1
274 1 12 LEU MD2 1 56 HIS HB3 3.150 . 4.500 4.098 3.521 4.538 0.038 23 0 "[ . 1 . 2 .]" 1
275 1 12 LEU MD2 1 56 HIS HB2 3.150 . 4.500 4.142 2.906 4.525 0.025 1 0 "[ . 1 . 2 .]" 1
276 1 59 GLN HA 1 59 GLN HG3 3.150 . 4.500 2.851 2.036 3.918 . 0 0 "[ . 1 . 2 .]" 1
277 1 59 GLN HA 1 59 GLN HG2 4.150 . 6.500 3.210 2.036 3.812 . 0 0 "[ . 1 . 2 .]" 1
278 1 12 LEU MD1 1 60 PHE HB2 4.150 . 6.500 3.052 2.262 3.402 . 0 0 "[ . 1 . 2 .]" 1
279 1 53 ILE MG 1 60 PHE HB2 4.150 . 6.500 4.175 3.770 4.988 . 0 0 "[ . 1 . 2 .]" 1
280 1 61 ILE HA 1 61 ILE HG13 3.150 . 4.500 3.495 2.953 3.854 . 0 0 "[ . 1 . 2 .]" 1
281 1 61 ILE HA 1 61 ILE HG12 4.150 . 6.500 2.993 2.561 3.904 . 0 0 "[ . 1 . 2 .]" 1
282 1 61 ILE HA 1 64 LEU MD1 3.150 . 4.500 4.295 3.036 4.542 0.042 25 0 "[ . 1 . 2 .]" 1
283 1 61 ILE HA 1 61 ILE MD 4.150 . 6.500 3.240 1.927 4.176 . 0 0 "[ . 1 . 2 .]" 1
284 1 61 ILE QG 1 64 LEU MD1 4.150 . 6.500 3.792 2.703 4.433 . 0 0 "[ . 1 . 2 .]" 1
285 1 61 ILE HA 1 61 ILE MG 3.150 . 4.500 2.188 2.031 2.342 . 0 0 "[ . 1 . 2 .]" 1
286 1 61 ILE MG 1 64 LEU MD2 3.150 . 4.500 4.503 4.352 4.585 0.085 1 0 "[ . 1 . 2 .]" 1
287 1 25 ARG HB2 1 64 LEU HA 4.150 . 6.500 2.696 1.863 4.748 . 0 0 "[ . 1 . 2 .]" 1
288 1 25 ARG HD3 1 64 LEU HA 3.150 . 4.500 3.952 3.348 4.520 0.020 3 0 "[ . 1 . 2 .]" 1
289 1 64 LEU HA 1 64 LEU QD 3.150 . 4.500 1.920 1.795 2.079 0.005 14 0 "[ . 1 . 2 .]" 1
290 1 61 ILE HA 1 64 LEU HB3 3.150 . 4.500 2.729 2.136 3.924 . 0 0 "[ . 1 . 2 .]" 1
291 1 61 ILE HA 1 64 LEU HB2 4.150 . 6.500 2.062 1.846 2.406 . 0 0 "[ . 1 . 2 .]" 1
292 1 25 ARG HG2 1 64 LEU MD1 4.150 . 6.500 5.072 3.477 6.407 . 0 0 "[ . 1 . 2 .]" 1
293 1 28 ILE MD 1 64 LEU MD1 4.150 . 6.500 2.251 1.773 3.464 0.027 12 0 "[ . 1 . 2 .]" 1
294 1 28 ILE QG 1 64 LEU MD1 4.150 . 6.500 2.697 1.837 4.814 . 0 0 "[ . 1 . 2 .]" 1
295 1 61 ILE MG 1 64 LEU MD1 3.150 . 4.500 3.862 2.749 4.505 0.005 18 0 "[ . 1 . 2 .]" 1
296 1 64 LEU HA 1 64 LEU MD1 3.150 . 4.500 2.679 2.039 3.551 . 0 0 "[ . 1 . 2 .]" 1
297 1 64 LEU HB3 1 64 LEU MD1 3.150 . 4.500 2.278 2.138 2.508 . 0 0 "[ . 1 . 2 .]" 1
298 1 64 LEU MD1 1 64 LEU HG 2.150 . 2.500 2.091 2.079 2.124 . 0 0 "[ . 1 . 2 .]" 1
299 1 24 MET HB3 1 64 LEU MD2 3.150 . 4.500 2.902 2.392 3.304 . 0 0 "[ . 1 . 2 .]" 1
300 1 24 MET HG2 1 64 LEU MD2 3.150 . 4.500 4.461 3.826 4.588 0.088 1 0 "[ . 1 . 2 .]" 1
301 1 25 ARG HA 1 64 LEU MD2 4.150 . 6.500 2.590 1.850 3.350 . 0 0 "[ . 1 . 2 .]" 1
302 1 28 ILE HA 1 64 LEU MD2 4.150 . 6.500 6.383 6.002 6.531 0.031 14 0 "[ . 1 . 2 .]" 1
303 1 28 ILE HB 1 64 LEU MD2 4.150 . 6.500 4.728 3.430 5.114 . 0 0 "[ . 1 . 2 .]" 1
304 1 28 ILE MD 1 64 LEU MD2 4.150 . 6.500 1.889 1.782 2.770 0.018 21 0 "[ . 1 . 2 .]" 1
305 1 61 ILE HA 1 64 LEU MD2 4.150 . 6.500 3.885 3.533 4.313 . 0 0 "[ . 1 . 2 .]" 1
306 1 64 LEU HA 1 64 LEU MD2 4.150 . 6.500 2.003 1.800 2.359 0.000 14 0 "[ . 1 . 2 .]" 1
307 1 64 LEU HB3 1 64 LEU MD2 3.150 . 4.500 3.163 2.663 3.197 . 0 0 "[ . 1 . 2 .]" 1
308 1 61 ILE HA 1 64 LEU HG 3.150 . 4.500 3.443 2.240 3.767 . 0 0 "[ . 1 . 2 .]" 1
309 1 64 LEU HA 1 64 LEU HG 3.150 . 4.500 3.637 3.318 3.716 . 0 0 "[ . 1 . 2 .]" 1
310 1 66 GLU QB 1 66 GLU HG2 2.150 . 2.500 2.272 2.134 2.520 0.020 14 0 "[ . 1 . 2 .]" 1
311 1 66 GLU HA 1 66 GLU HG3 3.150 . 4.500 3.691 3.293 4.249 . 0 0 "[ . 1 . 2 .]" 1
312 1 66 GLU QB 1 66 GLU HG3 2.150 . 2.500 2.237 2.129 2.491 . 0 0 "[ . 1 . 2 .]" 1
313 1 66 GLU HA 1 66 GLU HG2 3.150 . 4.500 3.408 2.133 4.222 . 0 0 "[ . 1 . 2 .]" 1
314 1 68 PRO HA 1 68 PRO HD3 4.150 . 6.500 3.621 3.509 3.725 . 0 0 "[ . 1 . 2 .]" 1
315 1 68 PRO HA 1 68 PRO HD2 4.150 . 6.500 4.011 3.932 4.099 . 0 0 "[ . 1 . 2 .]" 1
316 1 68 PRO HA 1 68 PRO HB3 2.150 . 2.500 2.301 2.287 2.311 . 0 0 "[ . 1 . 2 .]" 1
317 1 68 PRO HB3 1 68 PRO HD3 3.150 . 4.500 3.535 2.908 4.051 . 0 0 "[ . 1 . 2 .]" 1
318 1 68 PRO HB3 1 68 PRO HD2 4.150 . 6.500 3.897 3.856 3.932 . 0 0 "[ . 1 . 2 .]" 1
319 1 68 PRO HB2 1 68 PRO HD3 4.150 . 6.500 3.897 3.872 3.961 . 0 0 "[ . 1 . 2 .]" 1
320 1 68 PRO HB2 1 68 PRO HD2 3.150 . 4.500 3.491 2.956 4.068 . 0 0 "[ . 1 . 2 .]" 1
321 1 68 PRO HA 1 68 PRO QG 3.150 . 4.500 3.181 2.861 3.512 . 0 0 "[ . 1 . 2 .]" 1
322 1 68 PRO HB3 1 68 PRO QG 2.150 . 2.500 2.215 2.183 2.257 . 0 0 "[ . 1 . 2 .]" 1
323 1 68 PRO HD3 1 68 PRO QG 2.150 . 2.500 2.207 2.182 2.242 . 0 0 "[ . 1 . 2 .]" 1
324 1 14 PHE HA 1 14 PHE QD 3.150 . 4.500 3.605 3.385 3.694 . 0 0 "[ . 1 . 2 .]" 1
325 1 14 PHE HA 1 14 PHE QE 4.150 . 6.500 5.547 5.445 5.595 . 0 0 "[ . 1 . 2 .]" 1
326 1 14 PHE HA 1 14 PHE HZ 4.150 . 7.000 7.075 7.026 7.117 0.117 21 0 "[ . 1 . 2 .]" 1
327 1 14 PHE HB3 1 14 PHE QD 3.150 . 4.500 2.374 2.272 2.550 . 0 0 "[ . 1 . 2 .]" 1
328 1 14 PHE HB3 1 14 PHE QE 4.150 . 6.500 4.399 4.371 4.445 . 0 0 "[ . 1 . 2 .]" 1
329 1 14 PHE HB2 1 14 PHE QD 3.150 . 4.500 2.408 2.272 2.564 . 0 0 "[ . 1 . 2 .]" 1
330 1 14 PHE HB2 1 14 PHE QE 4.150 . 6.500 4.406 4.367 4.447 . 0 0 "[ . 1 . 2 .]" 1
331 1 21 PHE HA 1 21 PHE QD 3.150 . 4.500 3.611 3.303 3.718 . 0 0 "[ . 1 . 2 .]" 1
332 1 21 PHE HA 1 21 PHE QE 4.150 . 6.500 5.533 5.313 5.627 . 0 0 "[ . 1 . 2 .]" 1
333 1 21 PHE HA 1 21 PHE HZ 4.150 . 7.000 7.052 6.859 7.149 0.149 1 0 "[ . 1 . 2 .]" 1
334 1 21 PHE HB3 1 21 PHE QD 3.150 . 4.500 2.377 2.332 2.461 . 0 0 "[ . 1 . 2 .]" 1
335 1 21 PHE HB3 1 21 PHE QE 4.150 . 6.500 4.399 4.385 4.424 . 0 0 "[ . 1 . 2 .]" 1
336 1 21 PHE HB2 1 21 PHE QD 3.150 . 4.500 2.385 2.318 2.428 . 0 0 "[ . 1 . 2 .]" 1
337 1 21 PHE HB2 1 21 PHE QE 4.150 . 6.500 4.401 4.381 4.410 . 0 0 "[ . 1 . 2 .]" 1
338 1 56 HIS HA 1 56 HIS HD1 4.150 . 6.500 2.689 2.114 3.686 . 0 0 "[ . 1 . 2 .]" 1
339 1 60 PHE HA 1 60 PHE QD 3.150 . 4.500 2.485 1.851 3.177 . 0 0 "[ . 1 . 2 .]" 1
340 1 60 PHE HA 1 60 PHE QE 4.150 . 6.500 4.418 4.080 4.729 . 0 0 "[ . 1 . 2 .]" 1
341 1 60 PHE HA 1 60 PHE HZ 4.150 . 6.500 5.884 5.646 6.317 . 0 0 "[ . 1 . 2 .]" 1
342 1 60 PHE HB3 1 60 PHE QD 3.150 . 4.500 2.463 2.271 2.759 . 0 0 "[ . 1 . 2 .]" 1
343 1 60 PHE HB3 1 60 PHE QE 4.150 . 6.500 4.424 4.374 4.501 . 0 0 "[ . 1 . 2 .]" 1
344 1 60 PHE HB2 1 60 PHE QD 3.150 . 4.500 2.503 2.264 2.756 . 0 0 "[ . 1 . 2 .]" 1
345 1 60 PHE HB2 1 60 PHE QE 4.150 . 6.500 4.433 4.368 4.498 . 0 0 "[ . 1 . 2 .]" 1
346 1 12 LEU HA 1 14 PHE QD 4.150 . 6.500 4.264 3.161 4.962 . 0 0 "[ . 1 . 2 .]" 1
347 1 12 LEU HA 1 14 PHE QE 4.150 . 6.500 4.213 3.652 5.058 . 0 0 "[ . 1 . 2 .]" 1
348 1 12 LEU HA 1 14 PHE HZ 4.150 . 6.500 5.302 4.352 6.239 . 0 0 "[ . 1 . 2 .]" 1
349 1 12 LEU MD1 1 60 PHE QD 4.150 . 6.500 3.111 1.911 4.300 . 0 0 "[ . 1 . 2 .]" 1
350 1 12 LEU MD1 1 60 PHE QE 4.150 . 6.500 4.309 2.630 5.306 . 0 0 "[ . 1 . 2 .]" 1
351 1 12 LEU MD1 1 60 PHE HZ 4.150 . 6.500 5.839 4.342 6.515 0.015 1 0 "[ . 1 . 2 .]" 1
352 1 12 LEU MD2 1 14 PHE QD 4.150 . 6.500 4.858 3.545 5.468 . 0 0 "[ . 1 . 2 .]" 1
353 1 12 LEU MD2 1 14 PHE QE 4.150 . 6.500 4.356 3.341 4.984 . 0 0 "[ . 1 . 2 .]" 1
354 1 14 PHE QD 1 15 LEU HA 4.150 . 6.500 3.321 2.824 3.893 . 0 0 "[ . 1 . 2 .]" 1
355 1 14 PHE QE 1 15 LEU HA 4.150 . 6.500 4.017 3.085 5.186 . 0 0 "[ . 1 . 2 .]" 1
356 1 15 LEU HA 1 21 PHE QE 4.150 . 6.500 5.129 4.628 6.442 . 0 0 "[ . 1 . 2 .]" 1
357 1 14 PHE HZ 1 15 LEU HG 4.150 . 6.500 4.605 2.791 6.513 0.013 22 0 "[ . 1 . 2 .]" 1
358 1 14 PHE QE 1 15 LEU HG 4.150 . 6.500 3.836 2.768 4.897 . 0 0 "[ . 1 . 2 .]" 1
359 1 15 LEU HG 1 21 PHE QD 4.150 . 6.500 6.154 5.476 6.521 0.021 8 0 "[ . 1 . 2 .]" 1
360 1 14 PHE QE 1 15 LEU MD1 4.150 . 6.500 3.999 1.799 4.960 0.001 22 0 "[ . 1 . 2 .]" 1
361 1 14 PHE HZ 1 15 LEU MD1 4.150 . 6.500 4.942 2.412 6.513 0.013 14 0 "[ . 1 . 2 .]" 1
362 1 15 LEU MD1 1 60 PHE HZ 4.150 . 6.500 3.795 1.884 6.336 . 0 0 "[ . 1 . 2 .]" 1
363 1 15 LEU MD1 1 21 PHE QD 4.150 . 6.500 4.133 2.923 6.407 . 0 0 "[ . 1 . 2 .]" 1
364 1 14 PHE QE 1 15 LEU MD2 4.150 . 6.500 2.709 1.819 4.011 . 0 0 "[ . 1 . 2 .]" 1
365 1 14 PHE HZ 1 15 LEU MD2 4.150 . 6.500 3.442 1.971 5.663 . 0 0 "[ . 1 . 2 .]" 1
366 1 15 LEU MD2 1 60 PHE HZ 4.150 . 6.500 4.654 2.099 6.515 0.015 18 0 "[ . 1 . 2 .]" 1
367 1 15 LEU MD2 1 21 PHE QD 4.150 . 6.500 5.369 4.806 6.063 . 0 0 "[ . 1 . 2 .]" 1
368 1 21 PHE QE 1 22 GLN HA 4.150 . 6.500 5.198 3.725 6.445 . 0 0 "[ . 1 . 2 .]" 1
369 1 21 PHE QD 1 22 GLN HA 4.150 . 6.500 3.448 2.935 4.343 . 0 0 "[ . 1 . 2 .]" 1
370 1 16 ARG HA 1 21 PHE QD 4.150 . 6.500 3.086 2.759 4.356 . 0 0 "[ . 1 . 2 .]" 1
371 1 16 ARG HA 1 21 PHE QE 4.150 . 6.500 2.312 1.876 4.444 . 0 0 "[ . 1 . 2 .]" 1
372 1 16 ARG HA 1 21 PHE HZ 4.150 . 6.500 4.392 1.868 6.075 . 0 0 "[ . 1 . 2 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 247
_Distance_constraint_stats_list.Viol_count 630
_Distance_constraint_stats_list.Viol_total 531.614
_Distance_constraint_stats_list.Viol_max 0.216
_Distance_constraint_stats_list.Viol_rms 0.0145
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0338
_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 12 LEU 0.792 0.116 18 0 "[ . 1 . 2 .]"
1 13 GLU 0.202 0.140 23 0 "[ . 1 . 2 .]"
1 14 PHE 0.772 0.116 18 0 "[ . 1 . 2 .]"
1 15 LEU 0.159 0.140 23 0 "[ . 1 . 2 .]"
1 16 ARG 0.721 0.049 18 0 "[ . 1 . 2 .]"
1 17 ASP 1.183 0.056 18 0 "[ . 1 . 2 .]"
1 18 GLN 0.514 0.056 18 0 "[ . 1 . 2 .]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 22 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 MET 0.203 0.058 25 0 "[ . 1 . 2 .]"
1 25 ARG 0.044 0.044 17 0 "[ . 1 . 2 .]"
1 26 GLN 0.748 0.069 1 0 "[ . 1 . 2 .]"
1 27 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 28 ILE 4.130 0.216 16 0 "[ . 1 . 2 .]"
1 29 GLN 0.957 0.079 1 0 "[ . 1 . 2 .]"
1 30 GLN 0.524 0.091 17 0 "[ . 1 . 2 .]"
1 31 ASN 4.166 0.177 17 0 "[ . 1 . 2 .]"
1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 33 ALA 4.771 0.216 16 0 "[ . 1 . 2 .]"
1 34 LEU 3.024 0.177 17 0 "[ . 1 . 2 .]"
1 35 LEU 0.501 0.056 11 0 "[ . 1 . 2 .]"
1 36 PRO 1.607 0.146 3 0 "[ . 1 . 2 .]"
1 37 ALA 0.532 0.084 23 0 "[ . 1 . 2 .]"
1 38 LEU 0.392 0.056 11 0 "[ . 1 . 2 .]"
1 39 LEU 1.146 0.084 23 0 "[ . 1 . 2 .]"
1 40 GLN 0.591 0.082 1 0 "[ . 1 . 2 .]"
1 41 GLN 0.805 0.035 13 0 "[ . 1 . 2 .]"
1 42 LEU 0.303 0.028 19 0 "[ . 1 . 2 .]"
1 43 GLY 0.656 0.057 1 0 "[ . 1 . 2 .]"
1 44 GLN 2.112 0.110 1 0 "[ . 1 . 2 .]"
1 45 GLU 0.525 0.035 13 0 "[ . 1 . 2 .]"
1 46 ASN 2.101 0.110 1 0 "[ . 1 . 2 .]"
1 48 GLN 0.914 0.062 22 0 "[ . 1 . 2 .]"
1 49 LEU 0.197 0.040 22 0 "[ . 1 . 2 .]"
1 50 LEU 0.282 0.039 15 0 "[ . 1 . 2 .]"
1 51 GLN 0.541 0.044 2 0 "[ . 1 . 2 .]"
1 52 GLN 0.065 0.015 10 0 "[ . 1 . 2 .]"
1 53 ILE 0.290 0.044 1 0 "[ . 1 . 2 .]"
1 54 SER 0.236 0.022 3 0 "[ . 1 . 2 .]"
1 55 ARG 0.297 0.044 1 0 "[ . 1 . 2 .]"
1 56 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 57 GLN 0.060 0.029 18 0 "[ . 1 . 2 .]"
1 58 GLU 0.105 0.015 24 0 "[ . 1 . 2 .]"
1 59 GLN 0.339 0.045 14 0 "[ . 1 . 2 .]"
1 60 PHE 0.133 0.027 1 0 "[ . 1 . 2 .]"
1 61 ILE 0.860 0.068 1 0 "[ . 1 . 2 .]"
1 62 GLN 0.876 0.051 4 0 "[ . 1 . 2 .]"
1 63 MET 0.051 0.015 2 0 "[ . 1 . 2 .]"
1 64 LEU 1.334 0.111 5 0 "[ . 1 . 2 .]"
1 65 ASN 0.192 0.068 1 0 "[ . 1 . 2 .]"
1 66 GLU 1.334 0.111 5 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 LEU H 1 14 PHE H 3.150 . 4.500 4.529 4.504 4.616 0.116 18 0 "[ . 1 . 2 .]" 2
2 1 12 LEU H 1 13 GLU H 2.150 . 2.500 2.238 1.900 2.538 0.038 6 0 "[ . 1 . 2 .]" 2
3 1 13 GLU H 1 14 PHE H 3.150 . 4.500 3.026 2.347 3.242 . 0 0 "[ . 1 . 2 .]" 2
4 1 13 GLU H 1 15 LEU H 3.150 . 4.500 4.166 3.942 4.640 0.140 23 0 "[ . 1 . 2 .]" 2
5 1 13 GLU HA 1 14 PHE H 3.150 . 4.500 3.560 3.482 3.572 . 0 0 "[ . 1 . 2 .]" 2
6 1 14 PHE H 1 15 LEU H 3.150 . 4.500 2.588 2.419 3.095 . 0 0 "[ . 1 . 2 .]" 2
7 1 14 PHE HA 1 15 LEU H 3.150 . 4.500 3.524 3.498 3.587 . 0 0 "[ . 1 . 2 .]" 2
8 1 15 LEU H 1 17 ASP H 3.150 . 4.500 3.959 3.847 4.177 . 0 0 "[ . 1 . 2 .]" 2
9 1 14 PHE HA 1 16 ARG H 3.150 . 4.500 4.368 4.142 4.531 0.031 16 0 "[ . 1 . 2 .]" 2
10 1 14 PHE H 1 16 ARG H 3.150 . 4.500 4.110 3.859 4.282 . 0 0 "[ . 1 . 2 .]" 2
11 1 16 ARG H 1 18 GLN H 3.150 . 4.500 4.167 3.964 4.271 . 0 0 "[ . 1 . 2 .]" 2
12 1 14 PHE HA 1 17 ASP H 3.150 . 4.500 3.317 3.103 3.610 . 0 0 "[ . 1 . 2 .]" 2
13 1 15 LEU HA 1 17 ASP H 3.150 . 4.500 4.235 3.960 4.504 0.004 18 0 "[ . 1 . 2 .]" 2
14 1 16 ARG H 1 17 ASP H 2.150 . 2.500 2.527 2.515 2.549 0.049 18 0 "[ . 1 . 2 .]" 2
15 1 17 ASP H 1 18 GLN H 2.150 . 2.500 2.518 2.464 2.556 0.056 18 0 "[ . 1 . 2 .]" 2
16 1 15 LEU HA 1 18 GLN H 3.150 . 4.500 3.549 3.240 3.824 . 0 0 "[ . 1 . 2 .]" 2
17 1 20 GLN H 1 20 GLN QB 3.150 . 4.500 2.207 2.066 2.630 . 0 0 "[ . 1 . 2 .]" 2
18 1 20 GLN H 1 20 GLN QG 3.150 . 4.500 3.277 1.865 4.029 . 0 0 "[ . 1 . 2 .]" 2
19 1 20 GLN H 1 21 PHE H 3.150 . 4.500 2.973 2.516 3.197 . 0 0 "[ . 1 . 2 .]" 2
20 1 21 PHE H 1 22 GLN H 4.150 . 6.500 2.843 2.562 3.093 . 0 0 "[ . 1 . 2 .]" 2
21 1 21 PHE H 1 23 ASN H 4.150 . 6.500 4.324 3.891 4.838 . 0 0 "[ . 1 . 2 .]" 2
22 1 21 PHE HA 1 22 GLN H 4.150 . 6.500 3.557 3.528 3.571 . 0 0 "[ . 1 . 2 .]" 2
23 1 22 GLN HA 1 23 ASN H 3.150 . 4.500 3.561 3.519 3.582 . 0 0 "[ . 1 . 2 .]" 2
24 1 22 GLN H 1 23 ASN H 4.150 . 6.500 2.740 2.500 2.968 . 0 0 "[ . 1 . 2 .]" 2
25 1 23 ASN H 1 24 MET H 3.150 . 4.500 2.996 2.697 3.251 . 0 0 "[ . 1 . 2 .]" 2
26 1 23 ASN HA 1 24 MET H 4.150 . 6.500 3.564 3.542 3.574 . 0 0 "[ . 1 . 2 .]" 2
27 1 24 MET H 1 24 MET HB3 4.150 . 6.500 3.583 3.563 3.601 . 0 0 "[ . 1 . 2 .]" 2
28 1 24 MET H 1 24 MET HB2 3.150 . 4.500 2.511 2.348 2.791 . 0 0 "[ . 1 . 2 .]" 2
29 1 24 MET H 1 24 MET HG3 2.150 . 2.500 2.249 1.852 2.558 0.058 25 0 "[ . 1 . 2 .]" 2
30 1 24 MET H 1 24 MET HG2 4.150 . 6.500 3.684 3.405 3.935 . 0 0 "[ . 1 . 2 .]" 2
31 1 22 GLN HA 1 25 ARG H 3.150 . 4.500 3.948 3.464 4.256 . 0 0 "[ . 1 . 2 .]" 2
32 1 24 MET HA 1 25 ARG H 3.150 . 4.500 3.553 3.518 3.564 . 0 0 "[ . 1 . 2 .]" 2
33 1 24 MET H 1 25 ARG H 4.150 . 6.500 2.958 2.741 3.076 . 0 0 "[ . 1 . 2 .]" 2
34 1 25 ARG H 1 26 GLN H 4.150 . 6.500 2.911 2.680 3.062 . 0 0 "[ . 1 . 2 .]" 2
35 1 22 GLN HA 1 26 GLN H 3.150 . 4.500 4.085 3.721 4.332 . 0 0 "[ . 1 . 2 .]" 2
36 1 23 ASN HA 1 26 GLN H 3.150 . 4.500 3.810 3.300 4.140 . 0 0 "[ . 1 . 2 .]" 2
37 1 24 MET H 1 26 GLN H 3.150 . 4.500 3.992 3.805 4.510 0.010 17 0 "[ . 1 . 2 .]" 2
38 1 25 ARG HA 1 26 GLN H 3.150 . 4.500 3.502 3.471 3.581 . 0 0 "[ . 1 . 2 .]" 2
39 1 26 GLN H 1 28 ILE H 3.150 . 4.500 4.023 3.951 4.158 . 0 0 "[ . 1 . 2 .]" 2
40 1 23 ASN HA 1 27 VAL H 4.150 . 6.500 4.304 3.841 4.414 . 0 0 "[ . 1 . 2 .]" 2
41 1 24 MET HA 1 27 VAL H 4.150 . 6.500 3.772 3.524 4.330 . 0 0 "[ . 1 . 2 .]" 2
42 1 25 ARG HA 1 27 VAL H 4.150 . 6.500 5.241 4.925 5.595 . 0 0 "[ . 1 . 2 .]" 2
43 1 26 GLN HA 1 27 VAL H 4.150 . 6.500 3.572 3.564 3.581 . 0 0 "[ . 1 . 2 .]" 2
44 1 26 GLN H 1 27 VAL H 4.150 . 6.500 2.863 2.661 3.003 . 0 0 "[ . 1 . 2 .]" 2
45 1 25 ARG HA 1 28 ILE H 3.150 . 4.500 4.041 3.830 4.544 0.044 17 0 "[ . 1 . 2 .]" 2
46 1 26 GLN HA 1 28 ILE H 3.150 . 4.500 4.530 4.503 4.569 0.069 1 0 "[ . 1 . 2 .]" 2
47 1 27 VAL H 1 28 ILE H 4.150 . 6.500 2.896 2.776 2.977 . 0 0 "[ . 1 . 2 .]" 2
48 1 28 ILE H 1 29 GLN H . . 2.500 2.481 2.443 2.527 0.027 18 0 "[ . 1 . 2 .]" 2
49 1 28 ILE H 1 30 GLN H 4.150 . 6.500 4.795 4.464 4.864 . 0 0 "[ . 1 . 2 .]" 2
50 1 25 ARG HA 1 29 GLN H 4.150 . 6.500 3.794 3.450 4.132 . 0 0 "[ . 1 . 2 .]" 2
51 1 27 VAL H 1 29 GLN H 4.150 . 6.500 3.996 3.893 4.155 . 0 0 "[ . 1 . 2 .]" 2
52 1 28 ILE HA 1 29 GLN H 3.150 . 4.500 3.494 3.462 3.548 . 0 0 "[ . 1 . 2 .]" 2
53 1 29 GLN HA 1 30 GLN H 3.150 . 4.500 3.560 3.545 3.567 . 0 0 "[ . 1 . 2 .]" 2
54 1 29 GLN H 1 30 GLN H 3.150 . 4.500 2.996 2.695 3.152 . 0 0 "[ . 1 . 2 .]" 2
55 1 27 VAL HA 1 31 ASN H 4.150 . 6.500 3.680 3.514 3.807 . 0 0 "[ . 1 . 2 .]" 2
56 1 28 ILE HA 1 31 ASN H 3.150 . 4.500 3.889 3.772 4.066 . 0 0 "[ . 1 . 2 .]" 2
57 1 29 GLN HA 1 31 ASN H 3.150 . 5.000 5.032 4.912 5.079 0.079 1 0 "[ . 1 . 2 .]" 2
58 1 29 GLN H 1 31 ASN H 3.150 . 4.500 4.059 3.972 4.185 . 0 0 "[ . 1 . 2 .]" 2
59 1 30 GLN HA 1 31 ASN H 3.150 . 4.500 3.543 3.535 3.554 . 0 0 "[ . 1 . 2 .]" 2
60 1 30 GLN H 1 31 ASN H 2.150 . 2.500 2.517 2.470 2.591 0.091 17 0 "[ . 1 . 2 .]" 2
61 1 31 ASN H 1 33 ALA H 3.150 . 5.000 5.057 4.931 5.087 0.087 18 0 "[ . 1 . 2 .]" 2
62 1 28 ILE H 1 33 ALA H 4.150 . 6.500 6.632 6.576 6.716 0.216 16 0 "[ . 1 . 2 .]" 2
63 1 31 ASN HA 1 33 ALA H 3.150 . 4.500 3.414 3.212 3.817 . 0 0 "[ . 1 . 2 .]" 2
64 1 32 PRO HA 1 33 ALA H 4.150 . 6.500 2.999 2.770 3.133 . 0 0 "[ . 1 . 2 .]" 2
65 1 32 PRO HD3 1 33 ALA H 4.150 . 6.500 4.411 4.235 4.684 . 0 0 "[ . 1 . 2 .]" 2
66 1 32 PRO HD2 1 33 ALA H 4.150 . 6.500 3.632 3.334 4.212 . 0 0 "[ . 1 . 2 .]" 2
67 1 33 ALA H 1 33 ALA MB 3.150 . 4.500 2.216 2.106 2.298 . 0 0 "[ . 1 . 2 .]" 2
68 1 33 ALA H 1 34 LEU MD2 3.150 . 4.500 3.552 2.832 4.408 . 0 0 "[ . 1 . 2 .]" 2
69 1 33 ALA H 1 35 LEU QB 4.150 . 6.500 5.825 5.590 6.166 . 0 0 "[ . 1 . 2 .]" 2
70 1 31 ASN H 1 34 LEU H 4.150 . 6.500 6.525 6.162 6.677 0.177 17 0 "[ . 1 . 2 .]" 2
71 1 31 ASN HB3 1 34 LEU H 4.150 . 6.500 4.247 3.755 4.788 . 0 0 "[ . 1 . 2 .]" 2
72 1 31 ASN HB2 1 34 LEU H 4.150 . 6.500 5.679 4.350 6.200 . 0 0 "[ . 1 . 2 .]" 2
73 1 33 ALA HA 1 34 LEU H 4.150 . 6.500 3.537 3.476 3.556 . 0 0 "[ . 1 . 2 .]" 2
74 1 33 ALA H 1 34 LEU H 4.150 . 6.500 2.421 2.343 2.447 . 0 0 "[ . 1 . 2 .]" 2
75 1 34 LEU H 1 34 LEU MD1 3.150 . 4.500 3.735 1.844 4.280 . 0 0 "[ . 1 . 2 .]" 2
76 1 34 LEU H 1 36 PRO HD3 4.150 . 6.500 6.466 6.093 6.646 0.146 3 0 "[ . 1 . 2 .]" 2
77 1 28 ILE HB 1 35 LEU H 4.150 . 6.500 4.435 3.967 5.727 . 0 0 "[ . 1 . 2 .]" 2
78 1 33 ALA H 1 35 LEU H 4.150 . 6.500 3.544 3.322 3.879 . 0 0 "[ . 1 . 2 .]" 2
79 1 34 LEU HA 1 35 LEU H 3.150 . 4.500 3.306 3.208 3.424 . 0 0 "[ . 1 . 2 .]" 2
80 1 34 LEU H 1 35 LEU H 2.150 . 2.500 2.457 2.370 2.555 0.055 12 0 "[ . 1 . 2 .]" 2
81 1 35 LEU H 1 36 PRO HD3 4.150 . 6.500 4.266 4.103 4.498 . 0 0 "[ . 1 . 2 .]" 2
82 1 35 LEU H 1 36 PRO HD2 4.150 . 6.500 4.916 4.046 5.362 . 0 0 "[ . 1 . 2 .]" 2
83 1 35 LEU H 1 38 LEU MD2 4.150 . 6.500 6.428 5.800 6.534 0.034 24 0 "[ . 1 . 2 .]" 2
84 1 24 MET QB 1 37 ALA H 4.150 . 6.500 5.538 5.149 6.230 . 0 0 "[ . 1 . 2 .]" 2
85 1 35 LEU H 1 37 ALA H 4.150 . 6.500 5.081 4.916 5.411 . 0 0 "[ . 1 . 2 .]" 2
86 1 35 LEU QB 1 37 ALA H 4.150 . 6.500 4.203 3.545 4.937 . 0 0 "[ . 1 . 2 .]" 2
87 1 36 PRO HA 1 37 ALA H 3.150 . 4.500 2.647 2.351 2.849 . 0 0 "[ . 1 . 2 .]" 2
88 1 36 PRO HG3 1 37 ALA H 4.150 . 6.500 5.403 5.205 5.793 . 0 0 "[ . 1 . 2 .]" 2
89 1 37 ALA H 1 38 LEU H 3.150 . 4.500 2.609 2.295 2.788 . 0 0 "[ . 1 . 2 .]" 2
90 1 35 LEU MD2 1 38 LEU H 4.150 . 6.500 5.835 4.213 6.556 0.056 11 0 "[ . 1 . 2 .]" 2
91 1 38 LEU H 1 38 LEU HB3 4.150 . 6.500 3.578 3.537 3.601 . 0 0 "[ . 1 . 2 .]" 2
92 1 38 LEU H 1 38 LEU MD1 4.150 . 6.500 3.181 2.199 3.858 . 0 0 "[ . 1 . 2 .]" 2
93 1 38 LEU H 1 38 LEU MD2 4.150 . 6.500 1.924 1.789 2.309 0.011 22 0 "[ . 1 . 2 .]" 2
94 1 38 LEU H 1 40 GLN H 3.150 . 4.500 4.100 3.956 4.390 . 0 0 "[ . 1 . 2 .]" 2
95 1 38 LEU H 1 40 GLN QB 4.150 . 6.500 4.775 4.542 5.223 . 0 0 "[ . 1 . 2 .]" 2
96 1 37 ALA H 1 39 LEU H 3.150 . 4.500 4.487 4.217 4.584 0.084 23 0 "[ . 1 . 2 .]" 2
97 1 38 LEU HA 1 39 LEU H 3.150 . 4.500 3.523 3.475 3.551 . 0 0 "[ . 1 . 2 .]" 2
98 1 38 LEU HB2 1 39 LEU H 4.150 . 6.500 2.675 2.434 2.857 . 0 0 "[ . 1 . 2 .]" 2
99 1 38 LEU H 1 39 LEU H 2.150 . 2.950 2.885 2.756 2.964 0.014 1 0 "[ . 1 . 2 .]" 2
100 1 39 LEU H 1 39 LEU HB3 3.150 . 4.500 2.332 2.090 2.826 . 0 0 "[ . 1 . 2 .]" 2
101 1 39 LEU H 1 39 LEU HB2 4.150 . 6.500 2.741 2.220 3.041 . 0 0 "[ . 1 . 2 .]" 2
102 1 39 LEU H 1 39 LEU MD1 4.150 . 6.500 3.761 3.248 4.298 . 0 0 "[ . 1 . 2 .]" 2
103 1 39 LEU H 1 39 LEU MD2 4.150 . 6.500 4.099 4.039 4.180 . 0 0 "[ . 1 . 2 .]" 2
104 1 39 LEU H 1 40 GLN H 2.150 . 2.500 2.523 2.491 2.582 0.082 1 0 "[ . 1 . 2 .]" 2
105 1 39 LEU H 1 40 GLN QB 4.150 . 6.500 4.289 4.173 4.669 . 0 0 "[ . 1 . 2 .]" 2
106 1 37 ALA H 1 40 GLN H 4.150 . 6.500 4.987 4.787 5.249 . 0 0 "[ . 1 . 2 .]" 2
107 1 39 LEU HB2 1 40 GLN H 4.150 . 6.500 4.021 3.623 4.173 . 0 0 "[ . 1 . 2 .]" 2
108 1 39 LEU MD1 1 40 GLN H 4.150 . 6.500 2.945 1.939 4.544 . 0 0 "[ . 1 . 2 .]" 2
109 1 39 LEU MD2 1 40 GLN H 4.150 . 6.500 3.909 3.142 4.189 . 0 0 "[ . 1 . 2 .]" 2
110 1 40 GLN H 1 40 GLN HG3 4.150 . 6.500 3.972 2.028 4.602 . 0 0 "[ . 1 . 2 .]" 2
111 1 40 GLN H 1 40 GLN HG2 4.150 . 6.500 4.093 1.955 4.663 . 0 0 "[ . 1 . 2 .]" 2
112 1 40 GLN H 1 41 GLN H 4.150 . 6.500 2.635 2.550 2.719 . 0 0 "[ . 1 . 2 .]" 2
113 1 40 GLN H 1 42 LEU H 3.150 . 4.500 3.928 3.796 4.047 . 0 0 "[ . 1 . 2 .]" 2
114 1 40 GLN H 1 42 LEU HB2 4.150 . 6.500 4.883 4.605 5.130 . 0 0 "[ . 1 . 2 .]" 2
115 1 38 LEU HA 1 41 GLN H 4.150 . 6.500 3.513 3.383 3.657 . 0 0 "[ . 1 . 2 .]" 2
116 1 39 LEU H 1 41 GLN H 3.150 . 4.500 4.126 3.890 4.274 . 0 0 "[ . 1 . 2 .]" 2
117 1 40 GLN HA 1 41 GLN H 4.150 . 6.500 3.531 3.498 3.551 . 0 0 "[ . 1 . 2 .]" 2
118 1 40 GLN QB 1 41 GLN H 4.150 . 6.500 2.613 2.502 2.725 . 0 0 "[ . 1 . 2 .]" 2
119 1 41 GLN H 1 41 GLN HG3 4.150 . 6.500 3.873 2.322 4.631 . 0 0 "[ . 1 . 2 .]" 2
120 1 41 GLN H 1 41 GLN HG2 4.150 . 6.500 4.137 1.929 4.666 . 0 0 "[ . 1 . 2 .]" 2
121 1 41 GLN H 1 42 LEU HG 4.150 . 6.500 5.492 4.185 6.527 0.027 23 0 "[ . 1 . 2 .]" 2
122 1 41 GLN H 1 42 LEU MD1 4.150 . 6.500 5.064 3.724 6.376 . 0 0 "[ . 1 . 2 .]" 2
123 1 41 GLN H 1 45 GLU HB2 4.150 . 6.500 6.518 6.437 6.535 0.035 13 0 "[ . 1 . 2 .]" 2
124 1 41 GLN H 1 42 LEU H 2.150 . 2.500 2.505 2.439 2.528 0.028 19 0 "[ . 1 . 2 .]" 2
125 1 41 GLN HA 1 42 LEU H 3.150 . 4.500 3.493 3.461 3.513 . 0 0 "[ . 1 . 2 .]" 2
126 1 42 LEU H 1 44 GLN H 4.150 . 6.500 3.728 3.645 3.803 . 0 0 "[ . 1 . 2 .]" 2
127 1 40 GLN HA 1 43 GLY H 4.150 . 6.500 3.602 3.393 3.768 . 0 0 "[ . 1 . 2 .]" 2
128 1 42 LEU HA 1 43 GLY H 3.150 . 4.500 3.565 3.552 3.572 . 0 0 "[ . 1 . 2 .]" 2
129 1 43 GLY H 1 44 GLN H 2.150 . 2.500 2.524 2.473 2.557 0.057 1 0 "[ . 1 . 2 .]" 2
130 1 43 GLY H 1 45 GLU H 3.150 . 4.500 4.237 4.078 4.394 . 0 0 "[ . 1 . 2 .]" 2
131 1 41 GLN HA 1 44 GLN H 4.150 . 6.500 3.575 3.413 3.666 . 0 0 "[ . 1 . 2 .]" 2
132 1 44 GLN H 1 46 ASN H 3.150 . 4.500 4.557 4.536 4.610 0.110 1 0 "[ . 1 . 2 .]" 2
133 1 41 GLN HA 1 45 GLU H 3.150 . 4.500 3.232 3.062 3.431 . 0 0 "[ . 1 . 2 .]" 2
134 1 44 GLN HA 1 45 GLU H 3.150 . 4.500 3.542 3.517 3.559 . 0 0 "[ . 1 . 2 .]" 2
135 1 44 GLN H 1 45 GLU H 2.150 . 2.500 2.427 2.341 2.516 0.016 5 0 "[ . 1 . 2 .]" 2
136 1 45 GLU H 1 46 ASN H 3.150 . 4.500 3.216 3.106 3.283 . 0 0 "[ . 1 . 2 .]" 2
137 1 43 GLY HA3 1 46 ASN H 4.150 . 6.500 5.666 5.533 5.759 . 0 0 "[ . 1 . 2 .]" 2
138 1 43 GLY HA2 1 46 ASN H 4.150 . 6.500 4.415 4.246 4.527 . 0 0 "[ . 1 . 2 .]" 2
139 1 45 GLU HA 1 46 ASN H 3.150 . 4.500 3.556 3.547 3.561 . 0 0 "[ . 1 . 2 .]" 2
140 1 46 ASN H 1 48 GLN H 3.150 . 5.000 5.027 5.008 5.062 0.062 22 0 "[ . 1 . 2 .]" 2
141 1 48 GLN H 1 49 LEU H 3.150 . 4.500 2.183 2.131 2.256 . 0 0 "[ . 1 . 2 .]" 2
142 1 48 GLN HA 1 49 LEU H 4.150 . 6.500 3.436 3.325 3.479 . 0 0 "[ . 1 . 2 .]" 2
143 1 49 LEU H 1 51 GLN H 3.150 . 4.500 4.476 4.088 4.540 0.040 22 0 "[ . 1 . 2 .]" 2
144 1 48 GLN H 1 50 LEU H 3.150 . 4.500 4.491 4.353 4.539 0.039 15 0 "[ . 1 . 2 .]" 2
145 1 49 LEU HA 1 50 LEU H 3.150 . 4.500 3.562 3.527 3.572 . 0 0 "[ . 1 . 2 .]" 2
146 1 50 LEU H 1 51 GLN H 4.150 . 6.500 2.979 2.714 3.159 . 0 0 "[ . 1 . 2 .]" 2
147 1 48 GLN HA 1 51 GLN H 4.150 . 6.500 3.546 3.282 3.975 . 0 0 "[ . 1 . 2 .]" 2
148 1 49 LEU HA 1 51 GLN H 4.150 . 6.500 4.645 3.905 5.063 . 0 0 "[ . 1 . 2 .]" 2
149 1 50 LEU QD 1 51 GLN H 4.150 . 6.500 3.041 1.764 3.825 0.036 4 0 "[ . 1 . 2 .]" 2
150 1 51 GLN H 1 51 GLN QB 3.150 . 4.500 2.404 2.047 2.759 . 0 0 "[ . 1 . 2 .]" 2
151 1 51 GLN H 1 51 GLN HG3 4.150 . 6.500 3.289 1.982 4.450 . 0 0 "[ . 1 . 2 .]" 2
152 1 51 GLN H 1 51 GLN HG2 4.150 . 6.500 3.173 1.877 4.629 . 0 0 "[ . 1 . 2 .]" 2
153 1 49 LEU HA 1 52 GLN H 4.150 . 6.500 3.848 3.260 4.190 . 0 0 "[ . 1 . 2 .]" 2
154 1 50 LEU H 1 52 GLN H 4.150 . 6.500 4.724 4.043 4.935 . 0 0 "[ . 1 . 2 .]" 2
155 1 51 GLN HA 1 52 GLN H 4.150 . 6.500 3.565 3.539 3.571 . 0 0 "[ . 1 . 2 .]" 2
156 1 51 GLN HG3 1 52 GLN H 3.150 . 4.500 4.332 3.935 4.515 0.015 10 0 "[ . 1 . 2 .]" 2
157 1 51 GLN H 1 52 GLN H 4.150 . 6.500 3.097 2.717 3.257 . 0 0 "[ . 1 . 2 .]" 2
158 1 52 GLN H 1 52 GLN QB 3.150 . 4.500 2.422 2.178 2.613 . 0 0 "[ . 1 . 2 .]" 2
159 1 52 GLN H 1 52 GLN HG3 3.150 . 4.500 3.273 2.310 4.034 . 0 0 "[ . 1 . 2 .]" 2
160 1 52 GLN H 1 52 GLN HG2 3.150 . 4.500 2.899 1.872 4.228 . 0 0 "[ . 1 . 2 .]" 2
161 1 12 LEU MD2 1 53 ILE H 4.150 . 6.500 4.797 3.674 5.930 . 0 0 "[ . 1 . 2 .]" 2
162 1 49 LEU HA 1 53 ILE H 3.150 . 4.500 3.886 3.679 4.039 . 0 0 "[ . 1 . 2 .]" 2
163 1 49 LEU MD2 1 53 ILE H 4.150 . 6.500 5.181 4.139 5.418 . 0 0 "[ . 1 . 2 .]" 2
164 1 50 LEU HA 1 53 ILE H 3.150 . 4.500 3.517 3.276 3.847 . 0 0 "[ . 1 . 2 .]" 2
165 1 51 GLN H 1 53 ILE H 3.150 . 4.500 4.164 3.653 4.419 . 0 0 "[ . 1 . 2 .]" 2
166 1 52 GLN HA 1 53 ILE H 3.150 . 4.500 3.534 3.466 3.566 . 0 0 "[ . 1 . 2 .]" 2
167 1 52 GLN H 1 53 ILE H 3.150 . 4.500 2.660 2.458 2.844 . 0 0 "[ . 1 . 2 .]" 2
168 1 53 ILE H 1 53 ILE HB 3.150 . 4.500 2.374 2.099 2.544 . 0 0 "[ . 1 . 2 .]" 2
169 1 53 ILE H 1 53 ILE HG12 3.150 . 4.500 3.672 3.034 4.387 . 0 0 "[ . 1 . 2 .]" 2
170 1 53 ILE H 1 53 ILE MG 3.150 . 4.500 3.691 3.301 3.773 . 0 0 "[ . 1 . 2 .]" 2
171 1 53 ILE H 1 53 ILE MD 3.150 . 4.500 3.716 3.196 4.147 . 0 0 "[ . 1 . 2 .]" 2
172 1 53 ILE H 1 54 SER QB 3.150 . 4.500 4.492 4.300 4.522 0.022 3 0 "[ . 1 . 2 .]" 2
173 1 53 ILE H 1 55 ARG H 3.150 . 4.500 4.309 4.117 4.544 0.044 1 0 "[ . 1 . 2 .]" 2
174 1 51 GLN QB 1 54 SER H 4.150 . 6.500 4.932 4.759 5.125 . 0 0 "[ . 1 . 2 .]" 2
175 1 51 GLN H 1 54 SER H 4.150 . 6.500 4.992 4.669 5.175 . 0 0 "[ . 1 . 2 .]" 2
176 1 52 GLN H 1 54 SER H 3.150 . 4.500 4.121 3.983 4.341 . 0 0 "[ . 1 . 2 .]" 2
177 1 53 ILE HA 1 54 SER H 3.150 . 4.500 3.484 3.456 3.530 . 0 0 "[ . 1 . 2 .]" 2
178 1 53 ILE HB 1 54 SER H 3.150 . 4.500 3.022 2.816 3.390 . 0 0 "[ . 1 . 2 .]" 2
179 1 53 ILE HG12 1 54 SER H 4.150 . 6.500 5.113 4.862 5.328 . 0 0 "[ . 1 . 2 .]" 2
180 1 53 ILE MG 1 54 SER H 3.150 . 4.500 3.266 2.351 3.735 . 0 0 "[ . 1 . 2 .]" 2
181 1 53 ILE MD 1 54 SER H 4.150 . 6.500 4.905 4.547 5.132 . 0 0 "[ . 1 . 2 .]" 2
182 1 54 SER H 1 54 SER QB 3.150 . 4.500 2.176 2.079 2.332 . 0 0 "[ . 1 . 2 .]" 2
183 1 54 SER H 1 55 ARG H 3.150 . 4.500 2.777 2.529 2.947 . 0 0 "[ . 1 . 2 .]" 2
184 1 54 SER H 1 56 HIS H 4.150 . 6.500 4.949 4.174 5.677 . 0 0 "[ . 1 . 2 .]" 2
185 1 51 GLN QB 1 55 ARG H 4.150 . 6.500 6.487 6.301 6.544 0.044 2 0 "[ . 1 . 2 .]" 2
186 1 52 GLN H 1 55 ARG H 4.150 . 6.500 5.655 5.316 5.954 . 0 0 "[ . 1 . 2 .]" 2
187 1 55 ARG H 1 55 ARG HB3 3.150 . 4.500 3.011 2.262 3.598 . 0 0 "[ . 1 . 2 .]" 2
188 1 55 ARG H 1 55 ARG HB2 3.150 . 4.500 2.384 2.059 3.540 . 0 0 "[ . 1 . 2 .]" 2
189 1 55 ARG H 1 56 HIS HA 4.150 . 6.500 5.413 5.117 5.585 . 0 0 "[ . 1 . 2 .]" 2
190 1 12 LEU MD1 1 56 HIS H 4.150 . 6.500 2.605 1.836 4.570 . 0 0 "[ . 1 . 2 .]" 2
191 1 55 ARG HA 1 56 HIS H 3.150 . 4.500 3.551 3.405 3.574 . 0 0 "[ . 1 . 2 .]" 2
192 1 55 ARG HB3 1 56 HIS H 3.150 . 4.500 2.559 1.869 4.163 . 0 0 "[ . 1 . 2 .]" 2
193 1 55 ARG HB2 1 56 HIS H 3.150 . 4.500 3.175 2.043 4.156 . 0 0 "[ . 1 . 2 .]" 2
194 1 55 ARG H 1 56 HIS H 3.150 . 4.500 2.942 2.445 3.355 . 0 0 "[ . 1 . 2 .]" 2
195 1 56 HIS H 1 56 HIS HB3 3.150 . 4.500 3.135 2.242 3.699 . 0 0 "[ . 1 . 2 .]" 2
196 1 56 HIS H 1 56 HIS HB2 3.150 . 4.500 2.449 2.137 3.604 . 0 0 "[ . 1 . 2 .]" 2
197 1 56 HIS H 1 56 HIS HD1 3.150 . 4.500 3.741 1.860 4.442 . 0 0 "[ . 1 . 2 .]" 2
198 1 56 HIS HA 1 57 GLN H 3.150 . 4.500 3.045 2.626 3.493 . 0 0 "[ . 1 . 2 .]" 2
199 1 56 HIS HB3 1 57 GLN H 4.150 . 6.500 4.040 3.321 4.582 . 0 0 "[ . 1 . 2 .]" 2
200 1 57 GLN H 1 57 GLN QG 3.150 . 4.500 3.733 2.197 4.069 . 0 0 "[ . 1 . 2 .]" 2
201 1 57 GLN H 1 58 GLU H 3.150 . 4.500 2.997 2.403 3.674 . 0 0 "[ . 1 . 2 .]" 2
202 1 57 GLN H 1 59 GLN H 3.150 . 4.500 4.319 3.994 4.529 0.029 18 0 "[ . 1 . 2 .]" 2
203 1 56 HIS HA 1 58 GLU H 3.150 . 4.500 4.048 3.507 4.447 . 0 0 "[ . 1 . 2 .]" 2
204 1 58 GLU H 1 58 GLU HA 2.150 . 2.850 2.767 2.674 2.840 . 0 0 "[ . 1 . 2 .]" 2
205 1 58 GLU H 1 58 GLU QB 3.150 . 4.500 2.240 2.045 2.642 . 0 0 "[ . 1 . 2 .]" 2
206 1 58 GLU H 1 58 GLU HG2 3.150 . 4.500 3.750 1.960 4.515 0.015 24 0 "[ . 1 . 2 .]" 2
207 1 58 GLU H 1 59 GLN H 4.150 . 6.500 2.846 2.618 3.115 . 0 0 "[ . 1 . 2 .]" 2
208 1 58 GLU H 1 60 PHE H 3.150 . 4.500 4.444 4.129 4.513 0.013 18 0 "[ . 1 . 2 .]" 2
209 1 56 HIS HA 1 59 GLN H 3.150 . 4.500 3.368 2.916 3.854 . 0 0 "[ . 1 . 2 .]" 2
210 1 56 HIS HB3 1 59 GLN H 4.150 . 6.500 4.620 4.069 5.837 . 0 0 "[ . 1 . 2 .]" 2
211 1 58 GLU HA 1 59 GLN H 3.150 . 4.500 3.552 3.501 3.569 . 0 0 "[ . 1 . 2 .]" 2
212 1 59 GLN H 1 59 GLN QB 3.150 . 4.500 2.245 2.047 2.688 . 0 0 "[ . 1 . 2 .]" 2
213 1 59 GLN H 1 59 GLN HG2 4.150 . 6.500 3.769 1.892 4.606 . 0 0 "[ . 1 . 2 .]" 2
214 1 59 GLN H 1 62 GLN HA 4.150 . 6.500 6.500 6.438 6.545 0.045 14 0 "[ . 1 . 2 .]" 2
215 1 12 LEU MD1 1 60 PHE H 3.150 . 4.500 4.280 3.646 4.510 0.010 23 0 "[ . 1 . 2 .]" 2
216 1 53 ILE MG 1 60 PHE H 4.150 . 6.500 5.663 5.139 6.193 . 0 0 "[ . 1 . 2 .]" 2
217 1 57 GLN HA 1 60 PHE H 3.150 . 4.500 3.835 3.274 4.527 0.027 1 0 "[ . 1 . 2 .]" 2
218 1 59 GLN QB 1 60 PHE H 3.150 . 4.500 2.334 2.081 2.537 . 0 0 "[ . 1 . 2 .]" 2
219 1 59 GLN H 1 60 PHE H 4.150 . 6.500 2.735 2.507 2.891 . 0 0 "[ . 1 . 2 .]" 2
220 1 60 PHE H 1 60 PHE QD 4.150 . 6.500 4.040 3.552 4.187 . 0 0 "[ . 1 . 2 .]" 2
221 1 60 PHE H 1 60 PHE QE 4.150 . 6.500 6.091 5.731 6.217 . 0 0 "[ . 1 . 2 .]" 2
222 1 60 PHE H 1 62 GLN H 3.150 . 4.500 3.936 3.792 4.130 . 0 0 "[ . 1 . 2 .]" 2
223 1 57 GLN HA 1 61 ILE H 3.150 . 4.500 3.682 3.055 4.241 . 0 0 "[ . 1 . 2 .]" 2
224 1 59 GLN H 1 61 ILE H 3.150 . 4.500 4.380 4.205 4.508 0.008 6 0 "[ . 1 . 2 .]" 2
225 1 60 PHE QD 1 61 ILE H 3.150 . 4.500 3.637 2.954 4.178 . 0 0 "[ . 1 . 2 .]" 2
226 1 60 PHE QE 1 61 ILE H 4.150 . 6.500 5.678 4.944 6.243 . 0 0 "[ . 1 . 2 .]" 2
227 1 61 ILE H 1 61 ILE HB 3.150 . 4.500 2.805 2.553 3.623 . 0 0 "[ . 1 . 2 .]" 2
228 1 61 ILE H 1 61 ILE HG13 3.150 . 4.500 2.558 1.860 3.560 . 0 0 "[ . 1 . 2 .]" 2
229 1 61 ILE H 1 61 ILE HG12 3.150 . 4.500 2.499 1.865 3.372 . 0 0 "[ . 1 . 2 .]" 2
230 1 61 ILE H 1 61 ILE MD 4.150 . 6.500 3.336 2.185 3.677 . 0 0 "[ . 1 . 2 .]" 2
231 1 61 ILE H 1 62 GLN QB 4.150 . 6.500 4.236 4.172 4.273 . 0 0 "[ . 1 . 2 .]" 2
232 1 61 ILE H 1 62 GLN QG 4.150 . 6.500 5.979 4.892 6.241 . 0 0 "[ . 1 . 2 .]" 2
233 1 61 ILE H 1 62 GLN H 2.150 . 2.500 2.524 2.504 2.551 0.051 4 0 "[ . 1 . 2 .]" 2
234 1 61 ILE HA 1 62 GLN H 3.150 . 4.500 3.485 3.461 3.522 . 0 0 "[ . 1 . 2 .]" 2
235 1 62 GLN H 1 63 MET H 4.150 . 6.500 2.829 2.681 3.004 . 0 0 "[ . 1 . 2 .]" 2
236 1 62 GLN H 1 64 LEU H 4.150 . 6.500 4.054 3.827 4.270 . 0 0 "[ . 1 . 2 .]" 2
237 1 61 ILE H 1 63 MET H 3.150 . 4.500 4.426 4.119 4.515 0.015 2 0 "[ . 1 . 2 .]" 2
238 1 61 ILE HA 1 64 LEU H 4.150 . 6.500 3.082 2.951 3.195 . 0 0 "[ . 1 . 2 .]" 2
239 1 63 MET HA 1 64 LEU H 4.150 . 6.500 3.525 3.481 3.555 . 0 0 "[ . 1 . 2 .]" 2
240 1 63 MET H 1 64 LEU H 4.150 . 6.500 2.466 2.397 2.517 . 0 0 "[ . 1 . 2 .]" 2
241 1 61 ILE HA 1 65 ASN H 3.150 . 4.500 4.342 3.961 4.568 0.068 1 0 "[ . 1 . 2 .]" 2
242 1 62 GLN HA 1 65 ASN H 3.150 . 4.500 4.092 3.753 4.473 . 0 0 "[ . 1 . 2 .]" 2
243 1 63 MET H 1 65 ASN H 3.150 . 4.500 4.061 3.788 4.386 . 0 0 "[ . 1 . 2 .]" 2
244 1 64 LEU HA 1 65 ASN H 3.150 . 4.500 3.482 3.406 3.540 . 0 0 "[ . 1 . 2 .]" 2
245 1 64 LEU H 1 65 ASN H 4.150 . 6.500 2.826 2.603 2.968 . 0 0 "[ . 1 . 2 .]" 2
246 1 64 LEU H 1 66 GLU H 3.150 . 4.500 4.548 4.372 4.611 0.111 5 0 "[ . 1 . 2 .]" 2
247 1 65 ASN HA 1 66 GLU H 3.150 . 4.500 2.847 2.758 2.990 . 0 0 "[ . 1 . 2 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 289
_Distance_constraint_stats_list.Viol_total 179.018
_Distance_constraint_stats_list.Viol_max 0.237
_Distance_constraint_stats_list.Viol_rms 0.0169
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.0248
_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 13 GLU 0.552 0.050 18 0 "[ . 1 . 2 .]"
1 17 ASP 0.552 0.050 18 0 "[ . 1 . 2 .]"
1 20 GLN 0.238 0.081 1 0 "[ . 1 . 2 .]"
1 21 PHE 0.125 0.042 1 0 "[ . 1 . 2 .]"
1 22 GLN 0.103 0.026 18 0 "[ . 1 . 2 .]"
1 23 ASN 0.874 0.072 25 0 "[ . 1 . 2 .]"
1 24 MET 0.258 0.081 1 0 "[ . 1 . 2 .]"
1 25 ARG 1.273 0.237 1 0 "[ . 1 . 2 .]"
1 26 GLN 0.799 0.050 15 0 "[ . 1 . 2 .]"
1 27 VAL 0.874 0.072 25 0 "[ . 1 . 2 .]"
1 28 ILE 0.020 0.020 18 0 "[ . 1 . 2 .]"
1 29 GLN 1.148 0.237 1 0 "[ . 1 . 2 .]"
1 30 GLN 0.695 0.050 15 0 "[ . 1 . 2 .]"
1 37 ALA 0.108 0.022 24 0 "[ . 1 . 2 .]"
1 38 LEU 1.117 0.087 23 0 "[ . 1 . 2 .]"
1 39 LEU 0.043 0.020 24 0 "[ . 1 . 2 .]"
1 40 GLN 0.066 0.023 6 0 "[ . 1 . 2 .]"
1 41 GLN 0.433 0.037 1 0 "[ . 1 . 2 .]"
1 42 LEU 1.117 0.087 23 0 "[ . 1 . 2 .]"
1 43 GLY 0.043 0.020 24 0 "[ . 1 . 2 .]"
1 44 GLN 0.066 0.023 6 0 "[ . 1 . 2 .]"
1 45 GLU 0.325 0.037 1 0 "[ . 1 . 2 .]"
1 49 LEU 0.534 0.052 22 0 "[ . 1 . 2 .]"
1 50 LEU 0.480 0.112 22 0 "[ . 1 . 2 .]"
1 53 ILE 0.534 0.052 22 0 "[ . 1 . 2 .]"
1 54 SER 0.480 0.112 22 0 "[ . 1 . 2 .]"
1 57 GLN 0.109 0.022 14 0 "[ . 1 . 2 .]"
1 58 GLU 0.081 0.035 1 0 "[ . 1 . 2 .]"
1 59 GLN 0.065 0.027 1 0 "[ . 1 . 2 .]"
1 60 PHE 0.476 0.066 15 0 "[ . 1 . 2 .]"
1 61 ILE 0.109 0.022 14 0 "[ . 1 . 2 .]"
1 62 GLN 0.081 0.035 1 0 "[ . 1 . 2 .]"
1 63 MET 0.065 0.027 1 0 "[ . 1 . 2 .]"
1 64 LEU 0.476 0.066 15 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 GLU O 1 17 ASP H 2.000 . 2.200 2.206 1.974 2.250 0.050 18 0 "[ . 1 . 2 .]" 3
2 1 13 GLU O 1 17 ASP N 2.900 2.700 3.200 3.015 2.772 3.086 . 0 0 "[ . 1 . 2 .]" 3
3 1 20 GLN O 1 24 MET H 2.000 . 2.200 1.946 1.718 2.281 0.081 1 0 "[ . 1 . 2 .]" 3
4 1 20 GLN O 1 24 MET N 2.900 2.700 3.200 2.875 2.646 3.207 0.054 18 0 "[ . 1 . 2 .]" 3
5 1 21 PHE O 1 25 ARG H 2.000 . 2.200 2.056 1.761 2.242 0.042 1 0 "[ . 1 . 2 .]" 3
6 1 21 PHE O 1 25 ARG N 2.900 2.700 3.200 2.931 2.690 3.219 0.019 1 0 "[ . 1 . 2 .]" 3
7 1 22 GLN O 1 26 GLN H 2.000 . 2.200 2.058 1.790 2.213 0.013 19 0 "[ . 1 . 2 .]" 3
8 1 22 GLN O 1 26 GLN N 2.900 2.700 3.200 2.848 2.674 3.142 0.026 18 0 "[ . 1 . 2 .]" 3
9 1 23 ASN O 1 27 VAL H 2.000 . 2.200 2.229 2.140 2.272 0.072 25 0 "[ . 1 . 2 .]" 3
10 1 23 ASN O 1 27 VAL N 2.900 2.700 3.200 3.167 2.995 3.218 0.018 3 0 "[ . 1 . 2 .]" 3
11 1 24 MET O 1 28 ILE H 2.000 . 2.200 2.024 1.911 2.220 0.020 18 0 "[ . 1 . 2 .]" 3
12 1 24 MET O 1 28 ILE N 2.900 2.700 3.200 2.985 2.757 3.187 . 0 0 "[ . 1 . 2 .]" 3
13 1 25 ARG O 1 29 GLN H 2.000 . 2.200 2.031 1.795 2.218 0.018 17 0 "[ . 1 . 2 .]" 3
14 1 25 ARG O 1 29 GLN N 2.900 2.700 3.200 2.660 2.463 2.828 0.237 1 0 "[ . 1 . 2 .]" 3
15 1 26 GLN O 1 30 GLN H 2.000 . 2.200 2.215 1.868 2.250 0.050 15 0 "[ . 1 . 2 .]" 3
16 1 26 GLN O 1 30 GLN N 2.900 2.700 3.200 3.122 2.822 3.173 . 0 0 "[ . 1 . 2 .]" 3
17 1 37 ALA O 1 41 GLN H 2.000 . 2.200 1.962 1.747 2.222 0.022 24 0 "[ . 1 . 2 .]" 3
18 1 37 ALA O 1 41 GLN N 2.900 2.700 3.200 2.867 2.679 3.130 0.021 19 0 "[ . 1 . 2 .]" 3
19 1 38 LEU O 1 42 LEU H 2.000 . 2.200 2.245 2.222 2.287 0.087 23 0 "[ . 1 . 2 .]" 3
20 1 38 LEU O 1 42 LEU N 2.900 2.700 3.200 3.085 2.985 3.159 . 0 0 "[ . 1 . 2 .]" 3
21 1 39 LEU O 1 43 GLY H 2.000 . 2.200 1.845 1.704 2.021 . 0 0 "[ . 1 . 2 .]" 3
22 1 39 LEU O 1 43 GLY N 2.900 2.700 3.200 2.817 2.680 2.987 0.020 24 0 "[ . 1 . 2 .]" 3
23 1 40 GLN O 1 44 GLN H 2.000 . 2.200 1.956 1.878 2.191 . 0 0 "[ . 1 . 2 .]" 3
24 1 40 GLN O 1 44 GLN N 2.900 2.700 3.200 2.745 2.677 2.926 0.023 6 0 "[ . 1 . 2 .]" 3
25 1 41 GLN O 1 45 GLU H 2.000 . 2.200 1.844 1.797 2.114 . 0 0 "[ . 1 . 2 .]" 3
26 1 41 GLN O 1 45 GLU N 2.900 2.700 3.200 2.697 2.663 2.930 0.037 1 0 "[ . 1 . 2 .]" 3
27 1 49 LEU O 1 53 ILE H 2.000 . 2.200 1.750 1.686 1.903 0.014 6 0 "[ . 1 . 2 .]" 3
28 1 49 LEU O 1 53 ILE N 2.900 2.700 3.200 2.683 2.648 2.743 0.052 22 0 "[ . 1 . 2 .]" 3
29 1 50 LEU O 1 54 SER H 2.000 . 2.200 2.218 2.164 2.312 0.112 22 0 "[ . 1 . 2 .]" 3
30 1 50 LEU O 1 54 SER N 2.900 2.700 3.200 2.999 2.896 3.164 . 0 0 "[ . 1 . 2 .]" 3
31 1 57 GLN O 1 61 ILE H 2.000 . 2.200 2.040 1.711 2.222 0.022 14 0 "[ . 1 . 2 .]" 3
32 1 57 GLN O 1 61 ILE N 2.900 2.700 3.200 2.977 2.684 3.195 0.016 20 0 "[ . 1 . 2 .]" 3
33 1 58 GLU O 1 62 GLN H 2.000 . 2.200 2.089 1.917 2.235 0.035 1 0 "[ . 1 . 2 .]" 3
34 1 58 GLU O 1 62 GLN N 2.900 2.700 3.200 2.811 2.688 2.951 0.012 14 0 "[ . 1 . 2 .]" 3
35 1 59 GLN O 1 63 MET H 2.000 . 2.200 2.110 1.834 2.227 0.027 1 0 "[ . 1 . 2 .]" 3
36 1 59 GLN O 1 63 MET N 2.900 2.700 3.200 3.008 2.755 3.160 . 0 0 "[ . 1 . 2 .]" 3
37 1 60 PHE O 1 64 LEU H 2.000 . 2.200 2.211 2.019 2.266 0.066 15 0 "[ . 1 . 2 .]" 3
38 1 60 PHE O 1 64 LEU N 2.900 2.700 3.200 3.142 2.821 3.215 0.015 5 0 "[ . 1 . 2 .]" 3
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