NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
380987 |
1iqo   |
5129 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1iqo
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 542
_Distance_constraint_stats_list.Viol_count 437
_Distance_constraint_stats_list.Viol_total 563.450
_Distance_constraint_stats_list.Viol_max 0.402
_Distance_constraint_stats_list.Viol_rms 0.0184
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0645
_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 1 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ILE 0.009 0.009 10 0 "[ . 1 . 2]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.113 0.113 15 0 "[ . 1 . 2]"
1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.074 0.074 8 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 0.013 0.009 10 0 "[ . 1 . 2]"
1 10 PHE 0.562 0.111 14 0 "[ . 1 . 2]"
1 11 THR 3.034 0.288 19 0 "[ . 1 . 2]"
1 12 LEU 0.795 0.256 16 0 "[ . 1 . 2]"
1 13 LYS 3.588 0.402 7 0 "[ . 1 . 2]"
1 14 ASP 0.402 0.402 7 0 "[ . 1 . 2]"
1 15 LEU 0.575 0.194 7 0 "[ . 1 . 2]"
1 16 PRO 1.114 0.214 11 0 "[ . 1 . 2]"
1 17 GLU 0.751 0.214 11 0 "[ . 1 . 2]"
1 18 GLU 3.472 0.225 18 0 "[ . 1 . 2]"
1 19 PHE 3.578 0.225 18 0 "[ . 1 . 2]"
1 20 ARG 0.106 0.068 15 0 "[ . 1 . 2]"
1 21 PRO 0.169 0.087 14 0 "[ . 1 . 2]"
1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 1.864 0.197 15 0 "[ . 1 . 2]"
1 24 ASP 0.455 0.061 5 0 "[ . 1 . 2]"
1 25 TYR 0.820 0.080 2 0 "[ . 1 . 2]"
1 26 LYS 1.417 0.133 9 0 "[ . 1 . 2]"
1 27 ALA 0.314 0.044 14 0 "[ . 1 . 2]"
1 28 GLY 0.943 0.080 2 0 "[ . 1 . 2]"
1 29 LEU 3.006 0.331 3 0 "[ . 1 . 2]"
1 30 GLU 2.870 0.331 3 0 "[ . 1 . 2]"
1 31 LYS 2.523 0.142 3 0 "[ . 1 . 2]"
1 32 LYS 1.947 0.142 3 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 0.197 0.059 11 0 "[ . 1 . 2]"
1 35 SER 0.612 0.115 8 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.077 0.049 14 0 "[ . 1 . 2]"
1 38 ASP 0.796 0.115 8 0 "[ . 1 . 2]"
1 39 GLU 0.029 0.020 14 0 "[ . 1 . 2]"
1 40 ILE 0.626 0.197 15 0 "[ . 1 . 2]"
1 41 ALA 0.013 0.009 10 0 "[ . 1 . 2]"
1 42 ILE 0.539 0.154 3 0 "[ . 1 . 2]"
1 43 ILE 0.074 0.074 8 0 "[ . 1 . 2]"
1 44 SER 0.098 0.039 14 0 "[ . 1 . 2]"
1 45 ILE 0.766 0.132 10 0 "[ . 1 . 2]"
1 46 LYS 0.229 0.122 13 0 "[ . 1 . 2]"
1 47 GLY 0.084 0.084 4 0 "[ . 1 . 2]"
1 48 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 0.084 0.084 4 0 "[ . 1 . 2]"
1 50 SER 1.078 0.213 7 0 "[ . 1 . 2]"
1 51 ASN 0.986 0.213 7 0 "[ . 1 . 2]"
1 52 HIS 0.667 0.203 3 0 "[ . 1 . 2]"
1 53 VAL 0.348 0.154 3 0 "[ . 1 . 2]"
1 54 LEU 0.162 0.116 1 0 "[ . 1 . 2]"
1 55 PHE 0.094 0.094 1 0 "[ . 1 . 2]"
1 56 LEU 0.336 0.222 4 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 VAL 1.184 0.221 19 0 "[ . 1 . 2]"
1 63 ASP 0.018 0.012 2 0 "[ . 1 . 2]"
1 64 GLU 0.007 0.006 3 0 "[ . 1 . 2]"
1 65 ILE 1.243 0.221 19 0 "[ . 1 . 2]"
1 66 ARG 0.011 0.011 12 0 "[ . 1 . 2]"
1 67 LYS 0.018 0.012 2 0 "[ . 1 . 2]"
1 68 GLU 0.007 0.006 3 0 "[ . 1 . 2]"
1 69 LEU 0.941 0.222 4 0 "[ . 1 . 2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 0.685 0.063 8 0 "[ . 1 . 2]"
1 73 GLY 0.051 0.033 9 0 "[ . 1 . 2]"
1 74 ALA 0.363 0.218 11 0 "[ . 1 . 2]"
1 75 LYS 1.553 0.218 11 0 "[ . 1 . 2]"
1 76 ILE 1.256 0.210 15 0 "[ . 1 . 2]"
1 77 ASN 0.065 0.065 6 0 "[ . 1 . 2]"
1 78 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 THR 0.517 0.285 13 0 "[ . 1 . 2]"
1 81 LEU 0.080 0.062 19 0 "[ . 1 . 2]"
1 82 LYS 1.000 0.178 18 0 "[ . 1 . 2]"
1 83 ILE 0.757 0.050 17 0 "[ . 1 . 2]"
1 84 LEU 1.167 0.216 12 0 "[ . 1 . 2]"
1 85 GLU 0.700 0.079 9 0 "[ . 1 . 2]"
1 86 GLY 0.757 0.050 17 0 "[ . 1 . 2]"
1 87 HIS 0.789 0.097 14 0 "[ . 1 . 2]"
1 88 LEU 0.094 0.094 1 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 1 LEU HA 1 2 PHE H 2.500 . 2.700 2.404 2.142 2.676 . 0 0 "[ . 1 . 2]" 1
2 1 1 LEU QB 1 2 PHE H 4.000 . 6.000 3.367 1.973 3.998 . 0 0 "[ . 1 . 2]" 1
3 1 2 PHE QD 1 4 ALA H 4.000 . 7.400 5.745 4.238 6.836 . 0 0 "[ . 1 . 2]" 1
4 1 3 ILE HA 1 4 ALA H 2.500 . 2.700 2.223 2.124 2.648 . 0 0 "[ . 1 . 2]" 1
5 1 3 ILE H 1 4 ALA H 4.000 . 5.000 4.175 2.963 4.620 . 0 0 "[ . 1 . 2]" 1
6 1 4 ALA H 1 4 ALA MB 3.000 . 4.300 2.299 2.082 2.703 . 0 0 "[ . 1 . 2]" 1
7 1 4 ALA HA 1 5 THR H 2.500 . 2.700 2.228 2.139 2.608 . 0 0 "[ . 1 . 2]" 1
8 1 4 ALA MB 1 5 THR H 3.000 . 4.300 3.429 2.837 3.709 . 0 0 "[ . 1 . 2]" 1
9 1 5 THR H 1 5 THR HB 4.000 . 6.000 3.663 3.471 3.861 . 0 0 "[ . 1 . 2]" 1
10 1 5 THR H 1 5 THR HG1 4.000 . 6.000 2.381 1.919 3.338 . 0 0 "[ . 1 . 2]" 1
11 1 5 THR HA 1 6 LEU H 2.500 . 2.700 2.258 2.140 2.448 . 0 0 "[ . 1 . 2]" 1
12 1 6 LEU HA 1 7 LYS H 2.500 . 2.700 2.222 2.136 2.497 . 0 0 "[ . 1 . 2]" 1
13 1 7 LYS HA 1 8 GLY H 2.500 . 2.700 2.237 2.140 2.416 . 0 0 "[ . 1 . 2]" 1
14 1 7 LYS QB 1 8 GLY H 3.000 . 4.300 3.507 2.468 3.942 . 0 0 "[ . 1 . 2]" 1
15 1 7 LYS H 1 8 GLY H 4.000 . 5.000 4.082 3.184 4.522 . 0 0 "[ . 1 . 2]" 1
16 1 8 GLY QA 1 9 ILE H 2.500 . 3.700 2.186 2.106 2.288 . 0 0 "[ . 1 . 2]" 1
17 1 8 GLY H 1 9 ILE H 4.000 . 5.000 4.424 4.080 4.642 . 0 0 "[ . 1 . 2]" 1
18 1 9 ILE HA 1 10 PHE H 2.500 . 2.700 2.206 2.105 2.368 . 0 0 "[ . 1 . 2]" 1
19 1 9 ILE HB 1 10 PHE H 4.000 . 6.000 4.243 3.564 4.596 . 0 0 "[ . 1 . 2]" 1
20 1 10 PHE HA 1 11 THR H 2.500 . 2.700 2.251 2.152 2.633 . 0 0 "[ . 1 . 2]" 1
21 1 10 PHE QB 1 11 THR H 4.000 . 6.000 3.415 2.584 3.920 . 0 0 "[ . 1 . 2]" 1
22 1 11 THR H 1 11 THR HB 3.000 . 4.300 3.474 2.700 3.984 . 0 0 "[ . 1 . 2]" 1
23 1 11 THR HA 1 12 LEU H 3.000 . 3.300 2.202 2.074 2.573 . 0 0 "[ . 1 . 2]" 1
24 1 11 THR HB 1 12 LEU H 3.000 . 4.300 3.396 2.416 4.308 0.008 9 0 "[ . 1 . 2]" 1
25 1 12 LEU H 1 12 LEU QB 3.000 . 4.300 2.910 2.140 3.420 . 0 0 "[ . 1 . 2]" 1
26 1 12 LEU H 1 13 LYS H 4.000 . 5.000 4.148 2.774 4.633 . 0 0 "[ . 1 . 2]" 1
27 1 12 LEU QB 1 13 LYS H 4.000 . 6.000 2.529 1.544 3.399 0.256 16 0 "[ . 1 . 2]" 1
28 1 13 LYS H 1 13 LYS QB 3.000 . 4.300 2.403 2.047 3.039 . 0 0 "[ . 1 . 2]" 1
29 1 13 LYS H 1 13 LYS QG 4.000 . 6.000 2.775 1.913 3.975 . 0 0 "[ . 1 . 2]" 1
30 1 11 THR HA 1 13 LYS H 4.000 . 6.000 5.801 3.933 6.288 0.288 19 0 "[ . 1 . 2]" 1
31 1 14 ASP H 1 14 ASP QB 3.000 . 4.300 2.319 2.088 2.866 . 0 0 "[ . 1 . 2]" 1
32 1 13 LYS H 1 14 ASP H 3.000 . 3.300 2.659 2.045 3.702 0.402 7 0 "[ . 1 . 2]" 1
33 1 13 LYS HA 1 14 ASP H 4.000 . 5.000 3.386 2.151 3.566 . 0 0 "[ . 1 . 2]" 1
34 1 15 LEU H 1 15 LEU QB 3.000 . 4.300 2.346 2.138 2.776 . 0 0 "[ . 1 . 2]" 1
35 1 14 ASP QB 1 15 LEU H 3.000 . 4.300 3.308 2.378 3.946 . 0 0 "[ . 1 . 2]" 1
36 1 10 PHE QD 1 15 LEU H 4.000 . 8.300 5.719 4.057 7.001 . 0 0 "[ . 1 . 2]" 1
37 1 10 PHE QD 1 15 LEU HA 4.000 . 8.300 5.121 2.847 7.305 . 0 0 "[ . 1 . 2]" 1
38 1 15 LEU H 1 16 PRO QD 4.000 . 6.000 3.002 1.883 4.243 . 0 0 "[ . 1 . 2]" 1
39 1 16 PRO HA 1 17 GLU H 2.500 . 2.700 2.648 2.243 2.914 0.214 11 0 "[ . 1 . 2]" 1
40 1 16 PRO QB 1 17 GLU H 3.000 . 4.300 3.940 3.768 3.986 . 0 0 "[ . 1 . 2]" 1
41 1 17 GLU H 1 17 GLU QB 3.000 . 4.300 2.548 2.041 2.998 . 0 0 "[ . 1 . 2]" 1
42 1 18 GLU H 1 18 GLU QB 3.000 . 4.300 2.737 2.217 3.081 . 0 0 "[ . 1 . 2]" 1
43 1 18 GLU H 1 18 GLU QG 4.000 . 6.000 3.888 1.956 4.352 . 0 0 "[ . 1 . 2]" 1
44 1 17 GLU H 1 18 GLU H 4.000 . 5.000 3.600 2.662 4.171 . 0 0 "[ . 1 . 2]" 1
45 1 17 GLU QB 1 18 GLU H 3.000 . 4.300 3.003 1.881 4.024 . 0 0 "[ . 1 . 2]" 1
46 1 17 GLU QG 1 18 GLU H 4.000 . 6.000 3.395 1.889 4.639 . 0 0 "[ . 1 . 2]" 1
47 1 18 GLU H 1 19 PHE H 4.000 . 5.000 2.330 1.742 3.598 0.058 17 0 "[ . 1 . 2]" 1
48 1 18 GLU HA 1 19 PHE H 3.000 . 3.300 3.421 2.912 3.525 0.225 18 0 "[ . 1 . 2]" 1
49 1 18 GLU QB 1 19 PHE H 3.000 . 4.300 2.652 1.919 3.800 . 0 0 "[ . 1 . 2]" 1
50 1 18 GLU QG 1 19 PHE H 4.000 . 6.000 3.998 2.883 4.549 . 0 0 "[ . 1 . 2]" 1
51 1 19 PHE HA 1 20 ARG H 4.000 . 5.000 3.327 2.214 3.584 . 0 0 "[ . 1 . 2]" 1
52 1 19 PHE QB 1 20 ARG H 3.000 . 4.300 2.416 1.861 4.027 . 0 0 "[ . 1 . 2]" 1
53 1 19 PHE H 1 20 ARG H 3.000 . 3.300 2.810 2.107 3.368 0.068 15 0 "[ . 1 . 2]" 1
54 1 20 ARG H 1 21 PRO QD 4.000 . 6.000 3.930 2.917 4.401 . 0 0 "[ . 1 . 2]" 1
55 1 22 PHE H 1 23 VAL H 3.000 . 3.300 2.468 2.097 2.881 . 0 0 "[ . 1 . 2]" 1
56 1 22 PHE QB 1 23 VAL H 4.000 . 6.000 2.590 1.913 3.811 . 0 0 "[ . 1 . 2]" 1
57 1 23 VAL H 1 23 VAL HB 4.000 . 5.000 3.102 2.485 3.687 . 0 0 "[ . 1 . 2]" 1
58 1 23 VAL H 1 24 ASP H 3.000 . 3.300 2.527 2.131 2.786 . 0 0 "[ . 1 . 2]" 1
59 1 21 PRO HA 1 24 ASP H 4.000 . 5.000 4.142 3.427 5.051 0.051 5 0 "[ . 1 . 2]" 1
60 1 23 VAL HB 1 24 ASP H 4.000 . 6.000 3.997 3.096 4.400 . 0 0 "[ . 1 . 2]" 1
61 1 24 ASP H 1 25 TYR H 3.000 . 3.300 2.800 2.308 3.048 . 0 0 "[ . 1 . 2]" 1
62 1 22 PHE HA 1 25 TYR H 4.000 . 5.000 4.554 4.183 4.808 . 0 0 "[ . 1 . 2]" 1
63 1 24 ASP QB 1 25 TYR H 4.000 . 6.000 2.919 2.310 3.545 . 0 0 "[ . 1 . 2]" 1
64 1 25 TYR H 1 26 LYS H 3.000 . 3.300 2.657 2.545 2.739 . 0 0 "[ . 1 . 2]" 1
65 1 23 VAL HA 1 26 LYS H 3.000 . 3.300 3.329 3.231 3.433 0.133 9 0 "[ . 1 . 2]" 1
66 1 25 TYR QB 1 26 LYS H 4.000 . 6.000 3.462 3.235 3.595 . 0 0 "[ . 1 . 2]" 1
67 1 26 LYS H 1 27 ALA H 3.000 . 3.300 2.557 2.331 2.811 . 0 0 "[ . 1 . 2]" 1
68 1 24 ASP HA 1 27 ALA H 3.000 . 3.300 3.277 3.004 3.344 0.044 14 0 "[ . 1 . 2]" 1
69 1 26 LYS QB 1 27 ALA H 4.000 . 6.000 2.993 2.541 3.639 . 0 0 "[ . 1 . 2]" 1
70 1 27 ALA H 1 28 GLY H 3.000 . 3.300 2.495 2.346 2.592 . 0 0 "[ . 1 . 2]" 1
71 1 25 TYR HA 1 28 GLY H 3.000 . 3.300 3.331 3.199 3.380 0.080 2 0 "[ . 1 . 2]" 1
72 1 24 ASP HA 1 28 GLY H 4.000 . 5.000 4.781 4.159 5.061 0.061 5 0 "[ . 1 . 2]" 1
73 1 27 ALA MB 1 28 GLY H 4.000 . 6.000 2.899 2.681 3.147 . 0 0 "[ . 1 . 2]" 1
74 1 28 GLY H 1 29 LEU H 2.500 . 2.700 2.414 2.244 2.610 . 0 0 "[ . 1 . 2]" 1
75 1 28 GLY QA 1 29 LEU H 4.000 . 6.000 2.833 2.748 2.917 . 0 0 "[ . 1 . 2]" 1
76 1 26 LYS HA 1 29 LEU H 3.000 . 3.300 3.333 3.257 3.405 0.105 2 0 "[ . 1 . 2]" 1
77 1 29 LEU H 1 30 GLU H 3.000 . 3.300 2.796 2.412 3.631 0.331 3 0 "[ . 1 . 2]" 1
78 1 28 GLY QA 1 30 GLU H 4.000 . 6.000 3.189 2.952 4.182 . 0 0 "[ . 1 . 2]" 1
79 1 29 LEU QB 1 30 GLU H 4.000 . 6.000 3.385 1.951 3.964 . 0 0 "[ . 1 . 2]" 1
80 1 29 LEU HA 1 30 GLU H 3.000 . 3.300 3.287 2.376 3.512 0.212 5 0 "[ . 1 . 2]" 1
81 1 30 GLU H 1 30 GLU QG 4.000 . 6.000 3.965 2.564 4.325 . 0 0 "[ . 1 . 2]" 1
82 1 30 GLU H 1 31 LYS H 3.000 . 3.300 2.515 2.029 3.363 0.063 5 0 "[ . 1 . 2]" 1
83 1 30 GLU HA 1 31 LYS H 2.500 . 2.700 2.615 2.198 2.781 0.081 19 0 "[ . 1 . 2]" 1
84 1 30 GLU QB 1 31 LYS H 4.000 . 6.000 3.933 3.807 4.042 . 0 0 "[ . 1 . 2]" 1
85 1 30 GLU QG 1 31 LYS H 4.000 . 6.000 4.196 3.674 4.511 . 0 0 "[ . 1 . 2]" 1
86 1 31 LYS H 1 31 LYS QG 4.000 . 6.000 3.583 2.544 4.445 . 0 0 "[ . 1 . 2]" 1
87 1 31 LYS H 1 32 LYS H 2.500 . 2.700 2.741 2.382 2.842 0.142 3 0 "[ . 1 . 2]" 1
88 1 31 LYS HA 1 32 LYS H 2.500 . 2.700 2.740 2.712 2.835 0.135 4 0 "[ . 1 . 2]" 1
89 1 31 LYS QB 1 32 LYS H 4.000 . 6.000 3.938 3.779 4.037 . 0 0 "[ . 1 . 2]" 1
90 1 31 LYS QG 1 32 LYS H 4.000 . 6.000 4.210 3.773 4.610 . 0 0 "[ . 1 . 2]" 1
91 1 32 LYS H 1 32 LYS QG 4.000 . 6.000 3.683 1.949 4.065 . 0 0 "[ . 1 . 2]" 1
92 1 32 LYS HA 1 33 LYS H 4.000 . 5.000 3.148 2.183 3.572 . 0 0 "[ . 1 . 2]" 1
93 1 32 LYS QB 1 33 LYS H 4.000 . 6.000 2.926 1.967 3.788 . 0 0 "[ . 1 . 2]" 1
94 1 33 LYS H 1 33 LYS QG 4.000 . 6.000 3.543 2.283 4.502 . 0 0 "[ . 1 . 2]" 1
95 1 33 LYS HA 1 34 LEU H 4.000 . 5.000 2.402 2.136 3.546 . 0 0 "[ . 1 . 2]" 1
96 1 34 LEU H 1 34 LEU QB 3.000 . 4.300 2.729 2.364 3.340 . 0 0 "[ . 1 . 2]" 1
97 1 34 LEU H 1 34 LEU HG 4.000 . 5.000 3.544 1.986 4.909 . 0 0 "[ . 1 . 2]" 1
98 1 34 LEU H 1 35 SER H 4.000 . 5.000 3.986 2.794 4.552 . 0 0 "[ . 1 . 2]" 1
99 1 34 LEU HA 1 35 SER H 2.500 . 2.700 2.399 2.133 2.759 0.059 11 0 "[ . 1 . 2]" 1
100 1 35 SER H 1 35 SER QB 3.000 . 4.300 2.441 2.152 3.026 . 0 0 "[ . 1 . 2]" 1
101 1 34 LEU QB 1 35 SER H 3.000 . 4.300 3.247 1.827 3.896 . 0 0 "[ . 1 . 2]" 1
102 1 35 SER HA 1 36 ASP H 4.000 . 5.000 2.758 2.144 3.543 . 0 0 "[ . 1 . 2]" 1
103 1 35 SER QB 1 37 ASP H 4.000 . 6.000 3.448 2.198 4.992 . 0 0 "[ . 1 . 2]" 1
104 1 36 ASP HA 1 37 ASP H 4.000 . 5.000 3.130 2.247 3.553 . 0 0 "[ . 1 . 2]" 1
105 1 36 ASP QB 1 37 ASP H 4.000 . 6.000 3.352 1.940 4.032 . 0 0 "[ . 1 . 2]" 1
106 1 37 ASP H 1 37 ASP QB 3.000 . 4.300 2.598 2.129 3.171 . 0 0 "[ . 1 . 2]" 1
107 1 37 ASP H 1 38 ASP H 2.500 . 2.700 2.318 1.895 2.749 0.049 14 0 "[ . 1 . 2]" 1
108 1 37 ASP QB 1 38 ASP H 4.000 . 6.000 3.479 2.521 4.015 . 0 0 "[ . 1 . 2]" 1
109 1 35 SER H 1 38 ASP H 4.000 . 5.000 4.865 4.080 5.115 0.115 8 0 "[ . 1 . 2]" 1
110 1 38 ASP H 1 38 ASP QB 3.000 . 4.300 2.214 2.055 2.627 . 0 0 "[ . 1 . 2]" 1
111 1 37 ASP HA 1 38 ASP H 4.000 . 5.000 3.216 2.988 3.545 . 0 0 "[ . 1 . 2]" 1
112 1 13 LYS QG 1 38 ASP H 4.000 . 8.300 5.086 3.643 7.070 . 0 0 "[ . 1 . 2]" 1
113 1 12 LEU QD 1 38 ASP H 4.000 . 8.300 4.374 2.431 5.492 . 0 0 "[ . 1 . 2]" 1
114 1 38 ASP HA 1 39 GLU H 2.500 . 2.700 2.295 2.146 2.678 . 0 0 "[ . 1 . 2]" 1
115 1 38 ASP QB 1 39 GLU H 4.000 . 6.000 3.339 2.550 3.979 . 0 0 "[ . 1 . 2]" 1
116 1 39 GLU H 1 39 GLU QB 3.000 . 4.300 2.668 2.315 2.926 . 0 0 "[ . 1 . 2]" 1
117 1 39 GLU H 1 39 GLU QG 4.000 . 6.000 3.433 1.929 4.163 . 0 0 "[ . 1 . 2]" 1
118 1 38 ASP H 1 39 GLU H 4.000 . 5.000 4.460 4.062 4.645 . 0 0 "[ . 1 . 2]" 1
119 1 39 GLU HA 1 40 ILE H 2.500 . 2.700 2.211 2.129 2.473 . 0 0 "[ . 1 . 2]" 1
120 1 39 GLU QB 1 40 ILE H 4.000 . 6.000 3.190 2.332 3.883 . 0 0 "[ . 1 . 2]" 1
121 1 40 ILE HA 1 41 ALA H 2.500 . 2.700 2.261 2.139 2.426 . 0 0 "[ . 1 . 2]" 1
122 1 40 ILE HB 1 41 ALA H 4.000 . 5.000 3.795 3.232 4.406 . 0 0 "[ . 1 . 2]" 1
123 1 41 ALA H 1 41 ALA MB 3.000 . 4.300 2.464 2.229 2.730 . 0 0 "[ . 1 . 2]" 1
124 1 41 ALA HA 1 42 ILE H 2.500 . 2.700 2.181 2.131 2.351 . 0 0 "[ . 1 . 2]" 1
125 1 41 ALA MB 1 42 ILE H 4.000 . 6.000 3.136 2.564 3.534 . 0 0 "[ . 1 . 2]" 1
126 1 42 ILE HA 1 43 ILE H 2.500 . 2.700 2.167 2.137 2.232 . 0 0 "[ . 1 . 2]" 1
127 1 42 ILE HB 1 43 ILE H 4.000 . 5.000 3.931 3.079 4.369 . 0 0 "[ . 1 . 2]" 1
128 1 43 ILE HA 1 44 SER H 3.000 . 3.300 2.191 2.126 2.316 . 0 0 "[ . 1 . 2]" 1
129 1 43 ILE HB 1 44 SER H 4.000 . 6.000 3.889 2.561 4.384 . 0 0 "[ . 1 . 2]" 1
130 1 44 SER H 1 44 SER QB 3.000 . 4.300 2.771 2.257 3.317 . 0 0 "[ . 1 . 2]" 1
131 1 44 SER QB 1 45 ILE H 4.000 . 6.000 3.174 2.641 3.895 . 0 0 "[ . 1 . 2]" 1
132 1 44 SER HA 1 45 ILE H 3.000 . 3.300 2.220 2.140 2.441 . 0 0 "[ . 1 . 2]" 1
133 1 45 ILE HA 1 46 LYS H 4.000 . 5.000 2.923 2.300 3.568 . 0 0 "[ . 1 . 2]" 1
134 1 46 LYS HA 1 47 GLY H 4.000 . 5.000 2.953 2.144 3.569 . 0 0 "[ . 1 . 2]" 1
135 1 47 GLY QA 1 48 THR H 4.000 . 5.000 2.664 2.228 2.898 . 0 0 "[ . 1 . 2]" 1
136 1 48 THR H 1 48 THR HB 4.000 . 6.000 3.617 2.520 4.060 . 0 0 "[ . 1 . 2]" 1
137 1 48 THR H 1 48 THR HG1 4.000 . 6.000 2.616 1.976 3.434 . 0 0 "[ . 1 . 2]" 1
138 1 48 THR HA 1 49 GLN H 4.000 . 5.000 3.147 2.420 3.575 . 0 0 "[ . 1 . 2]" 1
139 1 49 GLN HA 1 50 SER H 4.000 . 5.000 2.999 2.464 3.592 . 0 0 "[ . 1 . 2]" 1
140 1 50 SER HA 1 51 ASN H 3.000 . 3.300 2.642 2.201 3.513 0.213 7 0 "[ . 1 . 2]" 1
141 1 51 ASN HA 1 52 HIS H 3.000 . 3.300 2.740 2.135 3.503 0.203 3 0 "[ . 1 . 2]" 1
142 1 52 HIS H 1 52 HIS QB 3.000 . 4.300 2.882 2.502 3.426 . 0 0 "[ . 1 . 2]" 1
143 1 52 HIS HA 1 53 VAL H 2.500 . 2.700 2.311 2.147 2.697 . 0 0 "[ . 1 . 2]" 1
144 1 52 HIS QB 1 53 VAL H 4.000 . 6.000 2.740 2.033 3.786 . 0 0 "[ . 1 . 2]" 1
145 1 53 VAL HA 1 54 LEU H 2.500 . 2.700 2.219 2.136 2.456 . 0 0 "[ . 1 . 2]" 1
146 1 53 VAL HB 1 54 LEU H 4.000 . 6.000 3.999 2.287 4.436 . 0 0 "[ . 1 . 2]" 1
147 1 54 LEU H 1 54 LEU QB 3.000 . 4.300 2.543 2.201 2.870 . 0 0 "[ . 1 . 2]" 1
148 1 54 LEU HA 1 55 PHE H 2.500 . 2.700 2.250 2.140 2.696 . 0 0 "[ . 1 . 2]" 1
149 1 54 LEU QB 1 55 PHE H 3.000 . 4.300 3.113 2.004 3.887 . 0 0 "[ . 1 . 2]" 1
150 1 55 PHE H 1 55 PHE QB 3.000 . 4.300 2.431 2.161 3.405 . 0 0 "[ . 1 . 2]" 1
151 1 55 PHE HA 1 56 LEU H 2.500 . 2.700 2.194 2.140 2.337 . 0 0 "[ . 1 . 2]" 1
152 1 55 PHE QB 1 56 LEU H 4.000 . 6.000 3.544 2.702 3.919 . 0 0 "[ . 1 . 2]" 1
153 1 56 LEU HA 1 57 SER H 3.000 . 3.300 2.201 2.134 2.347 . 0 0 "[ . 1 . 2]" 1
154 1 56 LEU H 1 57 SER H 4.000 . 5.000 4.268 3.722 4.604 . 0 0 "[ . 1 . 2]" 1
155 1 56 LEU QB 1 57 SER H 4.000 . 6.000 3.415 2.774 3.826 . 0 0 "[ . 1 . 2]" 1
156 1 57 SER H 1 57 SER QB 3.000 . 4.300 2.424 2.081 2.987 . 0 0 "[ . 1 . 2]" 1
157 1 59 TYR QE 1 65 ILE H 4.000 . 7.400 5.107 3.077 6.189 . 0 0 "[ . 1 . 2]" 1
158 1 59 TYR QE 1 65 ILE HA 4.000 . 7.400 4.469 2.605 6.835 . 0 0 "[ . 1 . 2]" 1
159 1 61 SER H 1 65 ILE MD 4.000 . 7.400 4.444 2.295 6.209 . 0 0 "[ . 1 . 2]" 1
160 1 59 TYR QE 1 64 GLU H 4.000 . 8.300 6.909 3.444 7.701 . 0 0 "[ . 1 . 2]" 1
161 1 59 TYR QE 1 66 ARG H 4.000 . 8.300 5.017 3.010 7.340 . 0 0 "[ . 1 . 2]" 1
162 1 60 ASN H 1 61 SER H 4.000 . 5.000 3.408 2.022 4.640 . 0 0 "[ . 1 . 2]" 1
163 1 60 ASN QB 1 61 SER H 3.000 . 4.300 2.824 1.916 3.827 . 0 0 "[ . 1 . 2]" 1
164 1 61 SER H 1 61 SER QB 3.000 . 4.300 2.894 2.100 3.497 . 0 0 "[ . 1 . 2]" 1
165 1 61 SER QB 1 62 VAL H 3.000 . 4.300 2.867 1.930 4.038 . 0 0 "[ . 1 . 2]" 1
166 1 62 VAL H 1 62 VAL HB 3.000 . 4.300 3.693 3.047 4.026 . 0 0 "[ . 1 . 2]" 1
167 1 62 VAL H 1 62 VAL QG 4.000 . 6.000 2.278 1.897 3.251 . 0 0 "[ . 1 . 2]" 1
168 1 61 SER HA 1 62 VAL HA 4.000 . 6.000 4.525 4.318 4.926 . 0 0 "[ . 1 . 2]" 1
169 1 62 VAL HB 1 63 ASP H 4.000 . 6.000 3.231 1.876 4.582 . 0 0 "[ . 1 . 2]" 1
170 1 62 VAL HA 1 63 ASP H 4.000 . 5.000 2.598 2.140 3.533 . 0 0 "[ . 1 . 2]" 1
171 1 63 ASP H 1 63 ASP QB 3.000 . 4.300 2.711 2.083 3.460 . 0 0 "[ . 1 . 2]" 1
172 1 63 ASP H 1 64 GLU H 4.000 . 5.000 2.983 2.184 3.848 . 0 0 "[ . 1 . 2]" 1
173 1 63 ASP QB 1 64 GLU H 3.000 . 4.300 2.781 1.943 3.639 . 0 0 "[ . 1 . 2]" 1
174 1 64 GLU H 1 64 GLU QB 3.000 . 4.300 2.316 2.072 2.674 . 0 0 "[ . 1 . 2]" 1
175 1 64 GLU H 1 64 GLU QG 4.000 . 6.000 3.141 1.939 4.030 . 0 0 "[ . 1 . 2]" 1
176 1 63 ASP HA 1 64 GLU H 4.000 . 5.000 3.509 3.252 3.577 . 0 0 "[ . 1 . 2]" 1
177 1 64 GLU H 1 65 ILE H 3.000 . 3.300 2.680 2.347 2.927 . 0 0 "[ . 1 . 2]" 1
178 1 62 VAL HA 1 65 ILE H 4.000 . 5.000 4.614 3.367 5.209 0.209 4 0 "[ . 1 . 2]" 1
179 1 64 GLU QB 1 65 ILE H 3.000 . 4.300 2.946 2.178 3.931 . 0 0 "[ . 1 . 2]" 1
180 1 65 ILE H 1 65 ILE HB 3.000 . 4.300 3.193 2.486 3.758 . 0 0 "[ . 1 . 2]" 1
181 1 65 ILE H 1 65 ILE QG 4.000 . 6.000 2.010 1.771 2.393 0.029 19 0 "[ . 1 . 2]" 1
182 1 65 ILE H 1 66 ARG H 3.000 . 3.300 2.497 1.984 3.291 . 0 0 "[ . 1 . 2]" 1
183 1 65 ILE HB 1 66 ARG H 3.000 . 4.300 3.523 1.972 4.311 0.011 12 0 "[ . 1 . 2]" 1
184 1 66 ARG H 1 66 ARG QB 3.000 . 4.300 2.265 2.116 2.603 . 0 0 "[ . 1 . 2]" 1
185 1 65 ILE QG 1 66 ARG H 4.000 . 6.000 2.485 1.952 3.456 . 0 0 "[ . 1 . 2]" 1
186 1 66 ARG H 1 67 LYS H 3.000 . 3.300 2.615 2.388 2.853 . 0 0 "[ . 1 . 2]" 1
187 1 64 GLU HA 1 67 LYS H 4.000 . 5.000 3.828 3.064 4.796 . 0 0 "[ . 1 . 2]" 1
188 1 66 ARG QB 1 67 LYS H 3.000 . 4.300 2.659 1.987 3.506 . 0 0 "[ . 1 . 2]" 1
189 1 67 LYS H 1 67 LYS QB 3.000 . 4.300 2.246 2.039 2.654 . 0 0 "[ . 1 . 2]" 1
190 1 67 LYS H 1 67 LYS QG 4.000 . 6.000 3.261 1.951 4.028 . 0 0 "[ . 1 . 2]" 1
191 1 63 ASP HA 1 67 LYS H 4.000 . 5.000 4.060 3.382 5.012 0.012 2 0 "[ . 1 . 2]" 1
192 1 67 LYS H 1 68 GLU H 3.000 . 3.300 2.606 2.327 2.820 . 0 0 "[ . 1 . 2]" 1
193 1 64 GLU HA 1 68 GLU H 4.000 . 5.000 4.262 3.489 5.006 0.006 3 0 "[ . 1 . 2]" 1
194 1 65 ILE HA 1 68 GLU H 4.000 . 5.000 3.608 3.124 4.247 . 0 0 "[ . 1 . 2]" 1
195 1 67 LYS QB 1 68 GLU H 4.000 . 6.000 2.859 2.355 3.522 . 0 0 "[ . 1 . 2]" 1
196 1 68 GLU H 1 69 LEU H 3.000 . 3.300 2.694 2.452 2.837 . 0 0 "[ . 1 . 2]" 1
197 1 66 ARG HA 1 69 LEU H 4.000 . 5.000 3.669 3.203 4.228 . 0 0 "[ . 1 . 2]" 1
198 1 68 GLU QB 1 69 LEU H 4.000 . 6.000 2.503 2.232 3.374 . 0 0 "[ . 1 . 2]" 1
199 1 69 LEU H 1 69 LEU QB 3.000 . 4.300 2.158 2.045 2.279 . 0 0 "[ . 1 . 2]" 1
200 1 65 ILE HA 1 69 LEU H 4.000 . 5.000 4.205 3.445 4.838 . 0 0 "[ . 1 . 2]" 1
201 1 69 LEU H 1 70 GLU H 3.000 . 3.300 2.719 2.440 2.983 . 0 0 "[ . 1 . 2]" 1
202 1 66 ARG HA 1 70 GLU H 4.000 . 5.000 3.948 3.234 4.485 . 0 0 "[ . 1 . 2]" 1
203 1 67 LYS HA 1 70 GLU H 4.000 . 5.000 3.739 3.240 4.098 . 0 0 "[ . 1 . 2]" 1
204 1 69 LEU QB 1 70 GLU H 4.000 . 6.000 2.393 2.097 2.637 . 0 0 "[ . 1 . 2]" 1
205 1 70 GLU H 1 70 GLU QB 3.000 . 4.300 2.230 2.048 2.698 . 0 0 "[ . 1 . 2]" 1
206 1 70 GLU H 1 71 GLU H 3.000 . 3.300 2.751 2.622 2.870 . 0 0 "[ . 1 . 2]" 1
207 1 67 LYS HA 1 71 GLU H 4.000 . 5.000 3.982 3.547 4.415 . 0 0 "[ . 1 . 2]" 1
208 1 68 GLU HA 1 71 GLU H 4.000 . 5.000 3.769 3.453 4.007 . 0 0 "[ . 1 . 2]" 1
209 1 70 GLU QB 1 71 GLU H 3.000 . 4.300 2.847 2.465 3.560 . 0 0 "[ . 1 . 2]" 1
210 1 71 GLU H 1 71 GLU QB 3.000 . 4.300 2.202 2.047 2.489 . 0 0 "[ . 1 . 2]" 1
211 1 71 GLU H 1 71 GLU QG 4.000 . 6.000 3.230 2.231 3.989 . 0 0 "[ . 1 . 2]" 1
212 1 71 GLU H 1 72 ALA H 3.000 . 3.300 2.596 2.389 2.747 . 0 0 "[ . 1 . 2]" 1
213 1 68 GLU HA 1 72 ALA H 4.000 . 5.000 4.429 3.898 4.733 . 0 0 "[ . 1 . 2]" 1
214 1 69 LEU HA 1 72 ALA H 3.000 . 3.300 3.330 3.276 3.363 0.063 8 0 "[ . 1 . 2]" 1
215 1 71 GLU QB 1 72 ALA H 3.000 . 4.300 2.710 2.425 3.498 . 0 0 "[ . 1 . 2]" 1
216 1 72 ALA H 1 72 ALA MB 2.500 . 3.700 2.184 2.081 2.268 . 0 0 "[ . 1 . 2]" 1
217 1 72 ALA H 1 73 GLY H 2.500 . 2.700 2.557 2.358 2.733 0.033 9 0 "[ . 1 . 2]" 1
218 1 71 GLU H 1 73 GLY H 4.000 . 5.000 3.855 3.707 4.114 . 0 0 "[ . 1 . 2]" 1
219 1 72 ALA MB 1 73 GLY H 3.000 . 4.300 3.050 2.765 3.462 . 0 0 "[ . 1 . 2]" 1
220 1 70 GLU QB 1 73 GLY H 4.000 . 6.000 4.806 4.557 5.142 . 0 0 "[ . 1 . 2]" 1
221 1 73 GLY H 1 74 ALA H 4.000 . 5.000 2.693 2.252 3.045 . 0 0 "[ . 1 . 2]" 1
222 1 73 GLY QA 1 74 ALA H 4.000 . 6.000 2.581 2.378 2.800 . 0 0 "[ . 1 . 2]" 1
223 1 74 ALA H 1 74 ALA MB 3.000 . 4.300 2.639 2.273 2.915 . 0 0 "[ . 1 . 2]" 1
224 1 73 GLY QA 1 75 LYS H 4.000 . 6.000 4.219 3.678 4.865 . 0 0 "[ . 1 . 2]" 1
225 1 74 ALA HA 1 75 LYS H 3.000 . 3.300 2.937 2.414 3.518 0.218 11 0 "[ . 1 . 2]" 1
226 1 74 ALA MB 1 75 LYS H 3.000 . 4.300 3.483 2.041 3.715 . 0 0 "[ . 1 . 2]" 1
227 1 75 LYS H 1 75 LYS QB 3.000 . 4.300 2.327 2.088 2.867 . 0 0 "[ . 1 . 2]" 1
228 1 75 LYS H 1 75 LYS QG 4.000 . 6.000 3.508 1.969 4.139 . 0 0 "[ . 1 . 2]" 1
229 1 74 ALA H 1 75 LYS H 4.000 . 5.000 2.334 1.922 3.038 . 0 0 "[ . 1 . 2]" 1
230 1 75 LYS HA 1 76 ILE H 3.000 . 3.300 2.945 2.348 3.510 0.210 15 0 "[ . 1 . 2]" 1
231 1 76 ILE H 1 76 ILE HB 3.000 . 4.300 3.067 2.540 3.646 . 0 0 "[ . 1 . 2]" 1
232 1 76 ILE H 1 76 ILE QG 4.000 . 6.000 2.018 1.847 2.302 . 0 0 "[ . 1 . 2]" 1
233 1 75 LYS QB 1 76 ILE H 3.000 . 4.300 2.167 1.848 3.362 . 0 0 "[ . 1 . 2]" 1
234 1 76 ILE HB 1 77 ASN H 3.000 . 4.300 3.374 1.827 4.365 0.065 6 0 "[ . 1 . 2]" 1
235 1 77 ASN H 1 77 ASN QB 3.000 . 4.300 2.853 2.145 3.436 . 0 0 "[ . 1 . 2]" 1
236 1 76 ILE QG 1 77 ASN H 4.000 . 6.000 2.663 1.884 3.793 . 0 0 "[ . 1 . 2]" 1
237 1 77 ASN HA 1 78 HIS H 4.000 . 5.000 2.778 2.142 3.572 . 0 0 "[ . 1 . 2]" 1
238 1 79 THR H 1 79 THR HB 4.000 . 6.000 3.354 2.568 3.960 . 0 0 "[ . 1 . 2]" 1
239 1 78 HIS HA 1 79 THR H 4.000 . 5.000 2.760 2.166 3.570 . 0 0 "[ . 1 . 2]" 1
240 1 78 HIS QB 1 79 THR H 4.000 . 6.000 3.137 2.146 4.048 . 0 0 "[ . 1 . 2]" 1
241 1 80 THR H 1 80 THR HB 4.000 . 6.000 3.436 2.561 4.051 . 0 0 "[ . 1 . 2]" 1
242 1 79 THR HA 1 80 THR H 4.000 . 5.000 2.789 2.172 3.566 . 0 0 "[ . 1 . 2]" 1
243 1 79 THR HB 1 80 THR H 4.000 . 6.000 3.778 1.998 4.650 . 0 0 "[ . 1 . 2]" 1
244 1 80 THR HA 1 81 LEU H 4.000 . 5.000 3.131 2.197 3.589 . 0 0 "[ . 1 . 2]" 1
245 1 80 THR HB 1 81 LEU H 4.000 . 5.000 3.828 1.952 4.657 . 0 0 "[ . 1 . 2]" 1
246 1 81 LEU H 1 81 LEU QB 3.000 . 4.300 3.004 2.291 3.492 . 0 0 "[ . 1 . 2]" 1
247 1 81 LEU H 1 82 LYS H 3.000 . 3.300 2.665 1.899 3.362 0.062 19 0 "[ . 1 . 2]" 1
248 1 82 LYS H 1 82 LYS QB 3.000 . 4.300 2.224 2.041 2.605 . 0 0 "[ . 1 . 2]" 1
249 1 82 LYS H 1 82 LYS QG 4.000 . 6.000 3.504 1.947 4.050 . 0 0 "[ . 1 . 2]" 1
250 1 81 LEU QB 1 82 LYS H 4.000 . 6.000 3.495 2.533 3.948 . 0 0 "[ . 1 . 2]" 1
251 1 82 LYS H 1 83 ILE H 3.000 . 3.300 2.630 2.387 3.013 . 0 0 "[ . 1 . 2]" 1
252 1 83 ILE H 1 83 ILE HB 3.000 . 4.300 3.351 2.520 3.621 . 0 0 "[ . 1 . 2]" 1
253 1 83 ILE H 1 83 ILE QG 4.000 . 6.000 1.934 1.862 2.060 . 0 0 "[ . 1 . 2]" 1
254 1 82 LYS QB 1 83 ILE H 3.000 . 4.300 2.574 2.053 3.544 . 0 0 "[ . 1 . 2]" 1
255 1 83 ILE H 1 84 LEU H 3.000 . 3.300 2.700 2.441 2.899 . 0 0 "[ . 1 . 2]" 1
256 1 84 LEU H 1 84 LEU HG 4.000 . 6.000 3.659 1.911 4.481 . 0 0 "[ . 1 . 2]" 1
257 1 83 ILE HB 1 84 LEU H 3.000 . 4.300 3.654 2.169 4.031 . 0 0 "[ . 1 . 2]" 1
258 1 84 LEU H 1 85 GLU H 3.000 . 3.300 2.574 2.404 2.699 . 0 0 "[ . 1 . 2]" 1
259 1 82 LYS HA 1 85 GLU H 3.000 . 3.300 3.335 3.308 3.379 0.079 9 0 "[ . 1 . 2]" 1
260 1 85 GLU H 1 85 GLU QB 3.000 . 4.300 2.277 2.047 2.739 . 0 0 "[ . 1 . 2]" 1
261 1 82 LYS HA 1 86 GLY H 4.000 . 6.000 4.480 4.220 4.770 . 0 0 "[ . 1 . 2]" 1
262 1 83 ILE HA 1 86 GLY H . . 3.300 3.338 3.323 3.350 0.050 17 0 "[ . 1 . 2]" 1
263 1 85 GLU H 1 86 GLY H 3.000 . 3.300 2.519 2.409 2.593 . 0 0 "[ . 1 . 2]" 1
264 1 85 GLU QB 1 86 GLY H 3.000 . 4.300 3.125 2.805 3.745 . 0 0 "[ . 1 . 2]" 1
265 1 86 GLY H 1 87 HIS H 3.000 . 3.300 2.360 2.145 2.582 . 0 0 "[ . 1 . 2]" 1
266 1 87 HIS H 1 87 HIS QB 3.000 . 4.300 2.899 2.111 3.459 . 0 0 "[ . 1 . 2]" 1
267 1 86 GLY QA 1 87 HIS H 3.000 . 4.300 2.811 2.638 2.904 . 0 0 "[ . 1 . 2]" 1
268 1 84 LEU HA 1 87 HIS H 3.000 . 3.300 3.339 3.290 3.397 0.097 14 0 "[ . 1 . 2]" 1
269 1 87 HIS H 1 88 LEU H 3.000 . 3.300 2.573 1.987 2.971 . 0 0 "[ . 1 . 2]" 1
270 1 88 LEU H 1 88 LEU QB 3.000 . 4.300 2.576 2.070 2.911 . 0 0 "[ . 1 . 2]" 1
271 1 88 LEU H 1 88 LEU HG 4.000 . 6.000 4.600 3.288 5.276 . 0 0 "[ . 1 . 2]" 1
272 1 86 GLY QA 1 88 LEU H 4.000 . 6.000 4.637 3.718 5.092 . 0 0 "[ . 1 . 2]" 1
273 1 41 ALA H 1 54 LEU H 4.000 . 5.000 3.667 2.784 4.420 . 0 0 "[ . 1 . 2]" 1
274 1 43 ILE H 1 52 HIS H 4.000 . 5.000 3.718 2.746 4.613 . 0 0 "[ . 1 . 2]" 1
275 1 39 GLU H 1 56 LEU H 4.000 . 5.000 4.607 3.913 5.020 0.020 14 0 "[ . 1 . 2]" 1
276 1 43 ILE H 1 53 VAL HA 4.000 . 5.000 3.475 2.649 4.342 . 0 0 "[ . 1 . 2]" 1
277 1 44 SER QB 1 52 HIS H 4.000 . 6.000 4.635 3.026 5.326 . 0 0 "[ . 1 . 2]" 1
278 1 44 SER HA 1 52 HIS H 4.000 . 5.000 3.402 2.377 3.782 . 0 0 "[ . 1 . 2]" 1
279 1 40 ILE HA 1 56 LEU H 4.000 . 5.000 2.625 2.048 3.444 . 0 0 "[ . 1 . 2]" 1
280 1 41 ALA H 1 55 PHE HA 4.000 . 5.000 3.536 1.964 4.063 . 0 0 "[ . 1 . 2]" 1
281 1 42 ILE HA 1 54 LEU H 4.000 . 5.000 3.388 2.726 4.424 . 0 0 "[ . 1 . 2]" 1
282 1 7 LYS HA 1 44 SER H 4.000 . 5.000 3.570 2.693 4.306 . 0 0 "[ . 1 . 2]" 1
283 1 6 LEU H 1 44 SER H 4.000 . 5.000 3.563 2.481 4.416 . 0 0 "[ . 1 . 2]" 1
284 1 8 GLY H 1 43 ILE HA 4.000 . 5.000 3.466 2.885 4.157 . 0 0 "[ . 1 . 2]" 1
285 1 8 GLY H 1 42 ILE H 4.000 . 5.000 3.834 2.874 4.727 . 0 0 "[ . 1 . 2]" 1
286 1 8 GLY QA 1 42 ILE H 4.000 . 5.000 4.053 3.386 4.467 . 0 0 "[ . 1 . 2]" 1
287 1 8 GLY H 1 42 ILE HB 4.000 . 5.000 4.179 3.328 4.995 . 0 0 "[ . 1 . 2]" 1
288 1 9 ILE HA 1 42 ILE H 4.000 . 5.000 3.642 2.667 4.629 . 0 0 "[ . 1 . 2]" 1
289 1 10 PHE H 1 41 ALA HA 4.000 . 5.000 2.958 2.197 3.587 . 0 0 "[ . 1 . 2]" 1
290 1 10 PHE H 1 40 ILE H 4.000 . 5.000 3.924 3.088 4.639 . 0 0 "[ . 1 . 2]" 1
291 1 12 LEU H 1 39 GLU HA 4.000 . 5.000 3.000 1.991 3.603 . 0 0 "[ . 1 . 2]" 1
292 1 12 LEU H 1 38 ASP H 4.000 . 5.000 4.723 3.150 5.075 0.075 14 0 "[ . 1 . 2]" 1
293 1 12 LEU HA 1 15 LEU H 4.000 . 5.000 4.826 4.378 5.194 0.194 7 0 "[ . 1 . 2]" 1
294 1 65 ILE H 1 67 LYS H 4.000 . 5.000 4.151 3.285 4.930 . 0 0 "[ . 1 . 2]" 1
295 1 66 ARG H 1 68 GLU H 4.000 . 5.000 3.941 3.644 4.288 . 0 0 "[ . 1 . 2]" 1
296 1 67 LYS H 1 69 LEU H 4.000 . 5.000 4.358 4.113 4.640 . 0 0 "[ . 1 . 2]" 1
297 1 68 GLU H 1 70 GLU H 4.000 . 5.000 4.250 4.009 4.633 . 0 0 "[ . 1 . 2]" 1
298 1 69 LEU H 1 71 GLU H 4.000 . 5.000 4.000 3.802 4.231 . 0 0 "[ . 1 . 2]" 1
299 1 70 GLU H 1 72 ALA H 4.000 . 5.000 4.252 3.975 4.501 . 0 0 "[ . 1 . 2]" 1
300 1 80 THR H 1 82 LYS H 4.000 . 5.000 4.312 2.932 5.178 0.178 18 0 "[ . 1 . 2]" 1
301 1 81 LEU H 1 83 ILE H 4.000 . 5.000 4.433 3.884 5.000 0.000 11 0 "[ . 1 . 2]" 1
302 1 82 LYS H 1 84 LEU H 4.000 . 5.000 3.947 3.540 4.608 . 0 0 "[ . 1 . 2]" 1
303 1 83 ILE H 1 85 GLU H 4.000 . 5.000 4.193 3.875 4.559 . 0 0 "[ . 1 . 2]" 1
304 1 84 LEU H 1 86 GLY H 4.000 . 5.000 3.810 3.594 4.028 . 0 0 "[ . 1 . 2]" 1
305 1 86 GLY H 1 88 LEU H 4.000 . 5.000 4.313 3.498 4.913 . 0 0 "[ . 1 . 2]" 1
306 1 14 ASP H 1 15 LEU H 4.000 . 5.000 2.749 2.218 3.648 . 0 0 "[ . 1 . 2]" 1
307 1 40 ILE HA 1 55 PHE HA 3.000 . 3.300 2.790 1.942 3.226 . 0 0 "[ . 1 . 2]" 1
308 1 42 ILE HA 1 53 VAL HA 3.000 . 3.300 2.639 2.086 3.214 . 0 0 "[ . 1 . 2]" 1
309 1 7 LYS HA 1 43 ILE HA 3.000 . 3.300 2.572 2.052 3.103 . 0 0 "[ . 1 . 2]" 1
310 1 9 ILE HA 1 41 ALA HA 3.000 . 3.300 2.863 1.971 3.309 0.009 10 0 "[ . 1 . 2]" 1
311 1 40 ILE MD 1 55 PHE QB 4.000 . 8.300 4.024 1.884 5.618 . 0 0 "[ . 1 . 2]" 1
312 1 45 ILE H 1 50 SER H 4.000 . 5.000 4.998 4.611 5.132 0.132 10 0 "[ . 1 . 2]" 1
313 1 44 SER HA 1 51 ASN HA 4.000 . 5.000 3.036 1.982 4.507 . 0 0 "[ . 1 . 2]" 1
314 1 45 ILE H 1 51 ASN HA 4.000 . 5.000 3.469 1.972 5.008 0.008 19 0 "[ . 1 . 2]" 1
315 1 46 LYS HA 1 50 SER H 4.000 . 5.000 4.708 3.376 5.122 0.122 13 0 "[ . 1 . 2]" 1
316 1 65 ILE HA 1 68 GLU QB 4.000 . 6.000 2.805 2.149 3.825 . 0 0 "[ . 1 . 2]" 1
317 1 66 ARG HA 1 69 LEU QB 4.000 . 6.000 3.158 2.332 3.590 . 0 0 "[ . 1 . 2]" 1
318 1 67 LYS HA 1 70 GLU QB 4.000 . 6.000 2.922 2.264 4.084 . 0 0 "[ . 1 . 2]" 1
319 1 68 GLU HA 1 71 GLU QB 4.000 . 6.000 2.923 2.478 4.134 . 0 0 "[ . 1 . 2]" 1
320 1 69 LEU HA 1 72 ALA MB 4.000 . 6.000 2.756 1.987 3.147 . 0 0 "[ . 1 . 2]" 1
321 1 21 PRO HA 1 24 ASP QB 4.000 . 6.000 3.880 2.588 5.299 . 0 0 "[ . 1 . 2]" 1
322 1 22 PHE HA 1 25 TYR QB 4.000 . 6.000 4.979 4.604 5.102 . 0 0 "[ . 1 . 2]" 1
323 1 23 VAL HA 1 26 LYS QB 4.000 . 6.000 3.428 2.835 4.146 . 0 0 "[ . 1 . 2]" 1
324 1 24 ASP HA 1 27 ALA MB 4.000 . 6.000 2.681 2.103 3.149 . 0 0 "[ . 1 . 2]" 1
325 1 26 LYS HA 1 29 LEU QB 4.000 . 6.000 2.445 1.966 3.923 . 0 0 "[ . 1 . 2]" 1
326 1 82 LYS HA 1 85 GLU QB 4.000 . 6.000 2.937 2.351 3.983 . 0 0 "[ . 1 . 2]" 1
327 1 83 ILE HA 1 86 GLY QA 4.000 . 6.000 3.663 3.338 4.063 . 0 0 "[ . 1 . 2]" 1
328 1 84 LEU HA 1 87 HIS QB 4.000 . 7.000 4.527 2.243 5.883 . 0 0 "[ . 1 . 2]" 1
329 1 85 GLU HA 1 88 LEU QB 4.000 . 6.000 4.401 3.404 5.419 . 0 0 "[ . 1 . 2]" 1
330 1 43 ILE MD 1 69 LEU QD 4.000 . 7.400 2.767 1.915 3.526 . 0 0 "[ . 1 . 2]" 1
331 1 43 ILE QG 1 69 LEU QD 4.000 . 8.300 3.379 2.408 4.149 . 0 0 "[ . 1 . 2]" 1
332 1 43 ILE MD 1 69 LEU HG 4.000 . 8.300 3.084 2.226 6.140 . 0 0 "[ . 1 . 2]" 1
333 1 45 ILE MD 1 74 ALA MB 4.000 . 7.400 3.600 2.310 5.041 . 0 0 "[ . 1 . 2]" 1
334 1 45 ILE QG 1 74 ALA MB 4.000 . 7.400 2.773 1.809 4.256 . 0 0 "[ . 1 . 2]" 1
335 1 7 LYS QE 1 70 GLU QG 4.000 . 8.300 4.688 1.973 6.645 . 0 0 "[ . 1 . 2]" 1
336 1 11 THR H 1 15 LEU H 4.000 . 5.000 4.538 3.731 5.028 0.028 5 0 "[ . 1 . 2]" 1
337 1 54 LEU QD 1 83 ILE MD 4.000 . 8.300 3.914 2.532 4.955 . 0 0 "[ . 1 . 2]" 1
338 1 54 LEU QD 1 84 LEU QD 4.000 . 8.300 2.972 1.684 3.919 0.116 1 0 "[ . 1 . 2]" 1
339 1 55 PHE QB 1 88 LEU QD 4.000 . 7.400 2.923 1.706 4.611 0.094 1 0 "[ . 1 . 2]" 1
340 1 8 GLY QA 1 42 ILE HB 4.000 . 6.000 4.191 2.970 5.135 . 0 0 "[ . 1 . 2]" 1
341 1 41 ALA MB 1 54 LEU H 4.000 . 6.000 3.934 3.126 4.506 . 0 0 "[ . 1 . 2]" 1
342 1 41 ALA MB 1 54 LEU QB 4.000 . 6.000 3.082 2.272 4.090 . 0 0 "[ . 1 . 2]" 1
343 1 44 SER HA 1 51 ASN QB 4.000 . 6.000 2.482 1.761 5.351 0.039 14 0 "[ . 1 . 2]" 1
344 1 44 SER QB 1 51 ASN QB 4.000 . 6.000 2.832 1.905 4.100 . 0 0 "[ . 1 . 2]" 1
345 1 44 SER QB 1 51 ASN HA 4.000 . 6.000 4.034 1.885 5.422 . 0 0 "[ . 1 . 2]" 1
346 1 3 ILE QG 1 74 ALA MB 4.000 . 8.300 4.298 3.440 5.060 . 0 0 "[ . 1 . 2]" 1
347 1 3 ILE QG 1 5 THR HG1 4.000 . 6.000 2.253 1.865 3.092 . 0 0 "[ . 1 . 2]" 1
348 1 3 ILE MD 1 46 LYS QE 4.000 . 8.300 4.780 1.791 6.134 0.009 10 0 "[ . 1 . 2]" 1
349 1 5 THR HB 1 43 ILE QG 4.000 . 7.400 4.259 2.610 5.207 . 0 0 "[ . 1 . 2]" 1
350 1 5 THR HB 1 45 ILE QG 4.000 . 7.400 3.647 2.253 5.331 . 0 0 "[ . 1 . 2]" 1
351 1 5 THR HB 1 74 ALA MB 4.000 . 7.400 4.458 2.767 6.035 . 0 0 "[ . 1 . 2]" 1
352 1 5 THR HG1 1 45 ILE QG 4.000 . 7.400 2.368 1.687 3.280 0.113 15 0 "[ . 1 . 2]" 1
353 1 5 THR HG1 1 74 ALA MB 4.000 . 7.400 2.924 1.836 4.123 . 0 0 "[ . 1 . 2]" 1
354 1 6 LEU QB 1 44 SER H 4.000 . 6.000 3.541 2.413 5.331 . 0 0 "[ . 1 . 2]" 1
355 1 7 LYS HA 1 43 ILE QG 4.000 . 7.400 2.752 1.913 3.867 . 0 0 "[ . 1 . 2]" 1
356 1 7 LYS HA 1 43 ILE MD 4.000 . 6.000 3.984 2.169 5.013 . 0 0 "[ . 1 . 2]" 1
357 1 7 LYS QG 1 43 ILE QG 4.000 . 7.400 2.667 1.726 4.539 0.074 8 0 "[ . 1 . 2]" 1
358 1 7 LYS QG 1 43 ILE MD 4.000 . 6.000 3.545 2.134 4.372 . 0 0 "[ . 1 . 2]" 1
359 1 7 LYS QG 1 73 GLY QA 4.000 . 7.400 5.051 3.900 5.802 . 0 0 "[ . 1 . 2]" 1
360 1 9 ILE QG 1 56 LEU QD 4.000 . 7.400 3.500 2.652 4.047 . 0 0 "[ . 1 . 2]" 1
361 1 10 PHE HA 1 16 PRO HA 4.000 . 6.000 5.475 3.878 6.111 0.111 14 0 "[ . 1 . 2]" 1
362 1 10 PHE HA 1 17 GLU H 4.000 . 5.000 4.277 3.629 5.047 0.047 8 0 "[ . 1 . 2]" 1
363 1 10 PHE HA 1 17 GLU QB 4.000 . 6.000 4.718 3.107 5.407 . 0 0 "[ . 1 . 2]" 1
364 1 10 PHE QB 1 15 LEU QB 4.000 . 7.400 3.516 1.747 5.969 0.053 19 0 "[ . 1 . 2]" 1
365 1 10 PHE QB 1 23 VAL QG 4.000 . 7.400 3.082 1.742 3.724 0.058 4 0 "[ . 1 . 2]" 1
366 1 10 PHE QD 1 23 VAL QG 4.000 . 7.400 2.445 1.802 3.531 . 0 0 "[ . 1 . 2]" 1
367 1 10 PHE QD 1 42 ILE QG 4.000 . 7.400 3.322 1.915 4.054 . 0 0 "[ . 1 . 2]" 1
368 1 10 PHE QD 1 40 ILE QG 4.000 . 7.400 3.877 2.822 4.842 . 0 0 "[ . 1 . 2]" 1
369 1 10 PHE QE 1 18 GLU QB 4.000 . 7.400 5.241 2.557 6.174 . 0 0 "[ . 1 . 2]" 1
370 1 10 PHE QE 1 21 PRO HA 4.000 . 7.400 4.389 1.958 6.806 . 0 0 "[ . 1 . 2]" 1
371 1 10 PHE QE 1 22 PHE H 4.000 . 7.400 3.875 2.680 6.053 . 0 0 "[ . 1 . 2]" 1
372 1 10 PHE QD 1 16 PRO QB 4.000 . 7.400 4.946 2.676 6.204 . 0 0 "[ . 1 . 2]" 1
373 1 13 LYS QG 1 38 ASP QB 4.000 . 6.000 4.242 1.711 4.815 0.089 14 0 "[ . 1 . 2]" 1
374 1 13 LYS QD 1 27 ALA MB 4.000 . 6.000 3.510 1.838 4.414 . 0 0 "[ . 1 . 2]" 1
375 1 13 LYS QD 1 27 ALA HA 4.000 . 7.400 5.793 2.871 6.658 . 0 0 "[ . 1 . 2]" 1
376 1 13 LYS QE 1 27 ALA MB 4.000 . 6.000 3.375 1.870 4.445 . 0 0 "[ . 1 . 2]" 1
377 1 13 LYS QE 1 34 LEU QB 4.000 . 6.000 2.911 1.836 4.435 . 0 0 "[ . 1 . 2]" 1
378 1 13 LYS QE 1 34 LEU QD 4.000 . 7.400 2.909 1.858 4.372 . 0 0 "[ . 1 . 2]" 1
379 1 14 ASP QB 1 36 ASP HA 4.000 . 7.400 6.118 4.456 6.666 . 0 0 "[ . 1 . 2]" 1
380 1 15 LEU HA 1 16 PRO QD 3.000 . 4.300 2.702 1.921 3.542 . 0 0 "[ . 1 . 2]" 1
381 1 16 PRO HA 1 21 PRO HA 4.000 . 6.000 3.986 1.793 5.998 0.007 16 0 "[ . 1 . 2]" 1
382 1 16 PRO HA 1 21 PRO QB 4.000 . 7.400 4.303 2.294 6.333 . 0 0 "[ . 1 . 2]" 1
383 1 16 PRO HA 1 22 PHE H 4.000 . 7.400 4.929 2.794 7.121 . 0 0 "[ . 1 . 2]" 1
384 1 16 PRO HA 1 23 VAL QG 4.000 . 7.400 4.670 3.876 5.537 . 0 0 "[ . 1 . 2]" 1
385 1 16 PRO QB 1 20 ARG H 4.000 . 7.400 3.651 2.283 5.280 . 0 0 "[ . 1 . 2]" 1
386 1 16 PRO QB 1 20 ARG HA 4.000 . 6.000 3.334 1.942 5.133 . 0 0 "[ . 1 . 2]" 1
387 1 16 PRO QB 1 20 ARG QB 4.000 . 7.400 4.397 3.661 5.602 . 0 0 "[ . 1 . 2]" 1
388 1 16 PRO QB 1 21 PRO QD 4.000 . 6.000 2.830 1.713 4.103 0.087 14 0 "[ . 1 . 2]" 1
389 1 23 VAL HB 1 40 ILE QG 4.000 . 7.400 3.305 1.902 4.881 . 0 0 "[ . 1 . 2]" 1
390 1 23 VAL HB 1 40 ILE MD 4.000 . 7.400 3.899 1.969 6.043 . 0 0 "[ . 1 . 2]" 1
391 1 23 VAL HB 1 42 ILE MD 4.000 . 7.400 4.138 2.093 5.895 . 0 0 "[ . 1 . 2]" 1
392 1 23 VAL HB 1 53 VAL QG 4.000 . 7.400 3.954 3.005 5.153 . 0 0 "[ . 1 . 2]" 1
393 1 23 VAL QG 1 42 ILE MD 4.000 . 7.400 2.505 1.649 4.116 0.151 1 0 "[ . 1 . 2]" 1
394 1 23 VAL QG 1 40 ILE QG 4.000 . 7.400 2.171 1.603 3.220 0.197 15 0 "[ . 1 . 2]" 1
395 1 23 VAL QG 1 40 ILE MD 4.000 . 7.400 2.625 1.847 3.578 . 0 0 "[ . 1 . 2]" 1
396 1 23 VAL QG 1 42 ILE QG 4.000 . 7.400 2.970 2.114 3.880 . 0 0 "[ . 1 . 2]" 1
397 1 23 VAL QG 1 53 VAL QG 4.000 . 7.400 2.403 1.658 3.188 0.142 1 0 "[ . 1 . 2]" 1
398 1 26 LYS QB 1 40 ILE MD 4.000 . 7.400 3.818 2.658 5.365 . 0 0 "[ . 1 . 2]" 1
399 1 26 LYS QB 1 40 ILE QG 4.000 . 7.400 4.093 2.973 4.937 . 0 0 "[ . 1 . 2]" 1
400 1 26 LYS QB 1 53 VAL QG 4.000 . 7.400 4.228 3.469 4.787 . 0 0 "[ . 1 . 2]" 1
401 1 26 LYS QD 1 40 ILE QG 4.000 . 7.400 3.524 2.051 4.845 . 0 0 "[ . 1 . 2]" 1
402 1 26 LYS QD 1 40 ILE MD 4.000 . 7.400 3.324 2.072 4.919 . 0 0 "[ . 1 . 2]" 1
403 1 26 LYS QD 1 53 VAL QG 4.000 . 7.400 3.664 2.692 4.714 . 0 0 "[ . 1 . 2]" 1
404 1 26 LYS QD 1 55 PHE HA 4.000 . 7.400 5.196 4.196 6.224 . 0 0 "[ . 1 . 2]" 1
405 1 26 LYS QD 1 55 PHE QB 4.000 . 6.000 4.039 3.278 4.738 . 0 0 "[ . 1 . 2]" 1
406 1 27 ALA H 1 40 ILE MD 4.000 . 7.400 4.965 3.842 5.927 . 0 0 "[ . 1 . 2]" 1
407 1 27 ALA HA 1 32 LYS QB 4.000 . 6.000 3.655 2.423 5.062 . 0 0 "[ . 1 . 2]" 1
408 1 27 ALA HA 1 32 LYS QD 4.000 . 6.000 3.966 2.302 5.400 . 0 0 "[ . 1 . 2]" 1
409 1 27 ALA HA 1 40 ILE MD 4.000 . 7.400 4.872 3.819 5.645 . 0 0 "[ . 1 . 2]" 1
410 1 27 ALA MB 1 34 LEU QB 4.000 . 7.400 4.379 2.084 5.355 . 0 0 "[ . 1 . 2]" 1
411 1 27 ALA MB 1 34 LEU QD 4.000 . 7.400 2.995 1.767 4.360 0.033 7 0 "[ . 1 . 2]" 1
412 1 27 ALA MB 1 40 ILE MD 4.000 . 7.400 4.033 2.796 4.964 . 0 0 "[ . 1 . 2]" 1
413 1 28 GLY QA 1 34 LEU QD 4.000 . 7.400 3.506 2.302 4.950 . 0 0 "[ . 1 . 2]" 1
414 1 39 GLU H 1 56 LEU QB 4.000 . 6.000 4.334 3.267 5.224 . 0 0 "[ . 1 . 2]" 1
415 1 39 GLU QB 1 56 LEU QD 4.000 . 6.000 2.953 1.874 3.734 . 0 0 "[ . 1 . 2]" 1
416 1 39 GLU QG 1 40 ILE H 4.000 . 6.000 3.700 2.551 4.690 . 0 0 "[ . 1 . 2]" 1
417 1 40 ILE HA 1 55 PHE QB 4.000 . 7.400 4.577 1.974 5.270 . 0 0 "[ . 1 . 2]" 1
418 1 40 ILE HA 1 56 LEU QB 4.000 . 7.400 3.509 2.171 5.265 . 0 0 "[ . 1 . 2]" 1
419 1 40 ILE HA 1 56 LEU HG 4.000 . 7.400 4.327 2.351 6.610 . 0 0 "[ . 1 . 2]" 1
420 1 40 ILE HB 1 42 ILE MD 4.000 . 7.400 4.138 2.173 6.003 . 0 0 "[ . 1 . 2]" 1
421 1 40 ILE QG 1 42 ILE MD 4.000 . 7.400 2.956 1.846 4.185 . 0 0 "[ . 1 . 2]" 1
422 1 40 ILE QG 1 55 PHE HA 4.000 . 7.400 2.617 1.939 3.353 . 0 0 "[ . 1 . 2]" 1
423 1 40 ILE QG 1 55 PHE QB 4.000 . 7.400 3.593 2.367 4.531 . 0 0 "[ . 1 . 2]" 1
424 1 41 ALA MB 1 69 LEU QD 4.000 . 7.400 2.449 1.864 3.050 . 0 0 "[ . 1 . 2]" 1
425 1 42 ILE QG 1 53 VAL QG 4.000 . 7.400 2.204 1.646 3.763 0.154 3 0 "[ . 1 . 2]" 1
426 1 43 ILE MD 1 69 LEU QB 4.000 . 7.400 4.281 3.170 5.258 . 0 0 "[ . 1 . 2]" 1
427 1 45 ILE MD 1 52 HIS QB 4.000 . 7.400 4.662 2.186 5.505 . 0 0 "[ . 1 . 2]" 1
428 1 46 LYS QB 1 48 THR H 4.000 . 6.000 3.719 2.510 5.139 . 0 0 "[ . 1 . 2]" 1
429 1 46 LYS QG 1 47 GLY H 4.000 . 7.400 4.198 3.303 4.911 . 0 0 "[ . 1 . 2]" 1
430 1 46 LYS QD 1 47 GLY H 4.000 . 7.400 4.436 2.104 5.383 . 0 0 "[ . 1 . 2]" 1
431 1 46 LYS QD 1 48 THR HG1 4.000 . 7.400 4.603 2.970 5.192 . 0 0 "[ . 1 . 2]" 1
432 1 47 GLY H 1 49 GLN H 4.000 . 5.000 4.036 3.161 5.084 0.084 4 0 "[ . 1 . 2]" 1
433 1 47 GLY H 1 50 SER H 4.000 . 6.000 4.147 3.106 5.571 . 0 0 "[ . 1 . 2]" 1
434 1 47 GLY QA 1 50 SER H 4.000 . 6.000 4.207 3.577 4.972 . 0 0 "[ . 1 . 2]" 1
435 1 47 GLY QA 1 51 ASN HA 4.000 . 6.000 4.745 2.641 5.201 . 0 0 "[ . 1 . 2]" 1
436 1 49 GLN H 1 50 SER HA 4.000 . 6.000 4.700 3.884 5.495 . 0 0 "[ . 1 . 2]" 1
437 1 49 GLN HA 1 50 SER HA 4.000 . 6.000 4.590 4.297 5.059 . 0 0 "[ . 1 . 2]" 1
438 1 52 HIS QB 1 78 HIS HD1 4.000 . 7.400 4.672 3.786 5.878 . 0 0 "[ . 1 . 2]" 1
439 1 54 LEU QB 1 56 LEU QD 4.000 . 6.000 3.185 2.601 3.741 . 0 0 "[ . 1 . 2]" 1
440 1 54 LEU QB 1 69 LEU QD 4.000 . 7.400 3.216 2.399 4.457 . 0 0 "[ . 1 . 2]" 1
441 1 54 LEU QB 1 72 ALA MB 4.000 . 7.400 4.568 3.787 5.448 . 0 0 "[ . 1 . 2]" 1
442 1 54 LEU HG 1 72 ALA MB 4.000 . 7.400 4.355 3.293 5.605 . 0 0 "[ . 1 . 2]" 1
443 1 54 LEU QD 1 72 ALA MB 4.000 . 7.400 2.811 1.848 3.719 . 0 0 "[ . 1 . 2]" 1
444 1 56 LEU QD 1 69 LEU QD 4.000 . 7.400 2.245 1.578 2.981 0.222 4 0 "[ . 1 . 2]" 1
445 1 59 TYR HA 1 65 ILE QG 4.000 . 7.400 3.552 1.837 5.374 . 0 0 "[ . 1 . 2]" 1
446 1 59 TYR QE 1 65 ILE QG 4.000 . 7.400 2.860 1.854 4.033 . 0 0 "[ . 1 . 2]" 1
447 1 59 TYR QE 1 65 ILE MD 4.000 . 7.400 3.345 2.030 4.984 . 0 0 "[ . 1 . 2]" 1
448 1 59 TYR QD 1 65 ILE QG 4.000 . 7.400 2.854 1.906 3.823 . 0 0 "[ . 1 . 2]" 1
449 1 59 TYR QD 1 65 ILE MD 4.000 . 7.400 3.301 1.951 4.981 . 0 0 "[ . 1 . 2]" 1
450 1 60 ASN H 1 65 ILE QG 4.000 . 7.400 3.599 1.949 5.282 . 0 0 "[ . 1 . 2]" 1
451 1 62 VAL QG 1 65 ILE QG 4.000 . 7.400 2.512 1.579 3.863 0.221 19 0 "[ . 1 . 2]" 1
452 1 5 THR HA 1 5 THR HB 2.500 . 2.700 2.550 2.376 2.687 . 0 0 "[ . 1 . 2]" 1
453 1 5 THR HA 1 5 THR HG1 3.000 . 4.300 2.272 2.066 2.485 . 0 0 "[ . 1 . 2]" 1
454 1 7 LYS HA 1 7 LYS QB 2.500 . 3.700 2.333 2.154 2.531 . 0 0 "[ . 1 . 2]" 1
455 1 7 LYS HA 1 7 LYS QG 3.000 . 4.300 2.659 2.126 3.433 . 0 0 "[ . 1 . 2]" 1
456 1 7 LYS QB 1 7 LYS QD 3.000 . 4.300 2.147 1.945 2.447 . 0 0 "[ . 1 . 2]" 1
457 1 7 LYS QE 1 7 LYS QG 3.000 . 4.300 2.167 1.946 2.888 . 0 0 "[ . 1 . 2]" 1
458 1 9 ILE HA 1 9 ILE HB 2.500 . 3.700 2.855 2.446 3.022 . 0 0 "[ . 1 . 2]" 1
459 1 9 ILE HB 1 9 ILE MD 3.000 . 4.300 2.462 2.031 3.226 . 0 0 "[ . 1 . 2]" 1
460 1 10 PHE HA 1 10 PHE QB 2.500 . 3.700 2.443 2.155 2.526 . 0 0 "[ . 1 . 2]" 1
461 1 11 THR HA 1 11 THR HB 2.500 . 2.700 2.517 2.335 2.801 0.101 14 0 "[ . 1 . 2]" 1
462 1 12 LEU HA 1 12 LEU QB 2.500 . 3.700 2.321 2.132 2.529 . 0 0 "[ . 1 . 2]" 1
463 1 13 LYS HA 1 13 LYS QB 2.500 . 3.700 2.351 2.143 2.536 . 0 0 "[ . 1 . 2]" 1
464 1 13 LYS HA 1 13 LYS QG 3.000 . 4.300 2.810 2.170 3.501 . 0 0 "[ . 1 . 2]" 1
465 1 13 LYS QB 1 13 LYS QD 3.000 . 4.300 2.347 2.112 2.949 . 0 0 "[ . 1 . 2]" 1
466 1 14 ASP HA 1 14 ASP QB 2.500 . 3.700 2.407 2.176 2.537 . 0 0 "[ . 1 . 2]" 1
467 1 20 ARG HA 1 20 ARG QB 2.500 . 3.700 2.379 2.168 2.539 . 0 0 "[ . 1 . 2]" 1
468 1 20 ARG HA 1 20 ARG QG 3.000 . 4.300 2.605 2.005 3.358 . 0 0 "[ . 1 . 2]" 1
469 1 20 ARG QB 1 20 ARG QD 3.000 . 4.300 2.188 1.983 2.525 . 0 0 "[ . 1 . 2]" 1
470 1 26 LYS HA 1 26 LYS QG 3.000 . 4.300 2.567 2.027 3.433 . 0 0 "[ . 1 . 2]" 1
471 1 29 LEU HA 1 29 LEU QB 2.500 . 3.700 2.335 2.149 2.536 . 0 0 "[ . 1 . 2]" 1
472 1 30 GLU HA 1 30 GLU QB 2.500 . 3.700 2.399 2.181 2.529 . 0 0 "[ . 1 . 2]" 1
473 1 31 LYS HA 1 31 LYS QB 2.500 . 3.700 2.330 2.167 2.512 . 0 0 "[ . 1 . 2]" 1
474 1 31 LYS HA 1 31 LYS QG 3.000 . 4.300 2.720 2.148 3.362 . 0 0 "[ . 1 . 2]" 1
475 1 31 LYS QB 1 31 LYS QD 3.000 . 4.300 2.118 1.932 2.324 . 0 0 "[ . 1 . 2]" 1
476 1 32 LYS HA 1 32 LYS QB 2.500 . 3.700 2.423 2.178 2.540 . 0 0 "[ . 1 . 2]" 1
477 1 32 LYS HA 1 32 LYS QG 3.000 . 4.300 2.460 2.021 3.385 . 0 0 "[ . 1 . 2]" 1
478 1 33 LYS HA 1 33 LYS QB 2.500 . 3.700 2.415 2.173 2.539 . 0 0 "[ . 1 . 2]" 1
479 1 33 LYS HA 1 33 LYS QG 3.000 . 4.300 2.516 2.009 3.415 . 0 0 "[ . 1 . 2]" 1
480 1 34 LEU HA 1 34 LEU QB 2.500 . 3.700 2.292 2.143 2.532 . 0 0 "[ . 1 . 2]" 1
481 1 35 SER HA 1 35 SER QB 2.500 . 3.700 2.373 2.159 2.542 . 0 0 "[ . 1 . 2]" 1
482 1 36 ASP HA 1 36 ASP QB 2.500 . 3.700 2.356 2.153 2.541 . 0 0 "[ . 1 . 2]" 1
483 1 37 ASP HA 1 37 ASP QB 2.500 . 3.700 2.402 2.183 2.534 . 0 0 "[ . 1 . 2]" 1
484 1 38 ASP HA 1 38 ASP QB 2.500 . 3.700 2.463 2.164 2.539 . 0 0 "[ . 1 . 2]" 1
485 1 39 GLU HA 1 39 GLU QB 2.500 . 3.700 2.421 2.170 2.535 . 0 0 "[ . 1 . 2]" 1
486 1 40 ILE HA 1 40 ILE HB 2.500 . 3.700 2.955 2.400 3.019 . 0 0 "[ . 1 . 2]" 1
487 1 40 ILE HB 1 40 ILE MD 3.000 . 4.300 2.619 2.048 3.229 . 0 0 "[ . 1 . 2]" 1
488 1 42 ILE HA 1 42 ILE HB 2.500 . 3.700 2.883 2.498 3.025 . 0 0 "[ . 1 . 2]" 1
489 1 42 ILE HB 1 42 ILE MD 3.000 . 4.300 2.590 2.074 3.231 . 0 0 "[ . 1 . 2]" 1
490 1 43 ILE HA 1 43 ILE HB 2.500 . 3.700 2.946 2.474 3.019 . 0 0 "[ . 1 . 2]" 1
491 1 43 ILE HB 1 43 ILE MD 3.000 . 4.300 2.622 1.999 3.230 . 0 0 "[ . 1 . 2]" 1
492 1 44 SER HA 1 44 SER QB 2.500 . 3.700 2.248 2.157 2.512 . 0 0 "[ . 1 . 2]" 1
493 1 45 ILE HA 1 45 ILE HB 3.000 . 4.300 2.755 2.420 3.024 . 0 0 "[ . 1 . 2]" 1
494 1 45 ILE HB 1 45 ILE MD 3.000 . 4.300 2.481 2.049 3.228 . 0 0 "[ . 1 . 2]" 1
495 1 53 VAL HA 1 53 VAL HB 3.000 . 3.300 2.661 2.438 3.023 . 0 0 "[ . 1 . 2]" 1
496 1 54 LEU HA 1 54 LEU QB 2.500 . 3.700 2.474 2.312 2.538 . 0 0 "[ . 1 . 2]" 1
497 1 55 PHE HA 1 55 PHE QB 2.500 . 3.700 2.361 2.156 2.536 . 0 0 "[ . 1 . 2]" 1
498 1 56 LEU HA 1 56 LEU QB 2.500 . 3.700 2.401 2.151 2.531 . 0 0 "[ . 1 . 2]" 1
499 1 57 SER HA 1 57 SER QB 2.500 . 3.700 2.370 2.167 2.537 . 0 0 "[ . 1 . 2]" 1
500 1 58 SER HA 1 58 SER QB 2.500 . 3.700 2.348 2.163 2.521 . 0 0 "[ . 1 . 2]" 1
501 1 59 TYR HA 1 59 TYR QB 2.500 . 3.700 2.400 2.163 2.536 . 0 0 "[ . 1 . 2]" 1
502 1 60 ASN HA 1 60 ASN QB 2.500 . 3.700 2.341 2.167 2.540 . 0 0 "[ . 1 . 2]" 1
503 1 61 SER HA 1 61 SER QB 2.500 . 3.700 2.302 2.165 2.509 . 0 0 "[ . 1 . 2]" 1
504 1 62 VAL HA 1 62 VAL HB 2.500 . 2.700 2.510 2.274 2.605 . 0 0 "[ . 1 . 2]" 1
505 1 63 ASP HA 1 63 ASP QB 2.500 . 3.700 2.359 2.157 2.539 . 0 0 "[ . 1 . 2]" 1
506 1 64 GLU HA 1 64 GLU QB 2.500 . 3.700 2.360 2.177 2.515 . 0 0 "[ . 1 . 2]" 1
507 1 65 ILE HA 1 65 ILE HB 2.500 . 3.700 2.607 2.256 3.020 . 0 0 "[ . 1 . 2]" 1
508 1 65 ILE HB 1 65 ILE MD 3.000 . 4.300 2.631 2.071 3.230 . 0 0 "[ . 1 . 2]" 1
509 1 66 ARG HA 1 66 ARG QB 2.500 . 3.700 2.382 2.169 2.526 . 0 0 "[ . 1 . 2]" 1
510 1 66 ARG HA 1 66 ARG QG 3.000 . 4.300 2.522 2.027 3.447 . 0 0 "[ . 1 . 2]" 1
511 1 66 ARG QB 1 66 ARG QD 3.000 . 4.300 2.159 1.950 2.494 . 0 0 "[ . 1 . 2]" 1
512 1 67 LYS HA 1 67 LYS QB 2.500 . 3.700 2.422 2.170 2.538 . 0 0 "[ . 1 . 2]" 1
513 1 67 LYS HA 1 67 LYS QG 3.000 . 4.300 2.435 2.072 3.342 . 0 0 "[ . 1 . 2]" 1
514 1 67 LYS QB 1 67 LYS QD 3.000 . 4.300 2.114 1.956 2.536 . 0 0 "[ . 1 . 2]" 1
515 1 67 LYS QE 1 67 LYS QG 3.000 . 4.300 2.174 2.001 2.426 . 0 0 "[ . 1 . 2]" 1
516 1 68 GLU HA 1 68 GLU QB 2.500 . 3.700 2.443 2.175 2.521 . 0 0 "[ . 1 . 2]" 1
517 1 69 LEU HA 1 69 LEU QB 2.500 . 3.700 2.451 2.332 2.530 . 0 0 "[ . 1 . 2]" 1
518 1 69 LEU HA 1 69 LEU HG 3.000 . 3.300 2.715 2.332 3.238 . 0 0 "[ . 1 . 2]" 1
519 1 69 LEU QB 1 69 LEU HG 2.500 . 3.700 2.409 2.325 2.493 . 0 0 "[ . 1 . 2]" 1
520 1 70 GLU HA 1 70 GLU QB 2.500 . 3.700 2.417 2.166 2.537 . 0 0 "[ . 1 . 2]" 1
521 1 75 LYS HA 1 75 LYS QG 3.000 . 4.300 2.455 2.004 3.347 . 0 0 "[ . 1 . 2]" 1
522 1 75 LYS QB 1 75 LYS QD 3.000 . 4.300 2.192 1.955 2.501 . 0 0 "[ . 1 . 2]" 1
523 1 76 ILE HA 1 76 ILE HB 2.500 . 3.700 2.773 2.379 3.023 . 0 0 "[ . 1 . 2]" 1
524 1 76 ILE HB 1 76 ILE MD 3.000 . 4.300 2.459 2.022 3.233 . 0 0 "[ . 1 . 2]" 1
525 1 77 ASN HA 1 77 ASN QB 2.500 . 3.700 2.346 2.180 2.536 . 0 0 "[ . 1 . 2]" 1
526 1 79 THR HA 1 79 THR HB 3.000 . 3.300 2.634 2.348 3.022 . 0 0 "[ . 1 . 2]" 1
527 1 80 THR HA 1 80 THR HB 2.500 . 2.700 2.419 2.267 2.985 0.285 13 0 "[ . 1 . 2]" 1
528 1 81 LEU HA 1 81 LEU QB 2.500 . 3.700 2.410 2.138 2.534 . 0 0 "[ . 1 . 2]" 1
529 1 81 LEU HA 1 81 LEU HG 3.000 . 3.300 2.708 2.161 3.312 0.012 11 0 "[ . 1 . 2]" 1
530 1 81 LEU QB 1 81 LEU HG 2.500 . 3.700 2.444 2.334 2.539 . 0 0 "[ . 1 . 2]" 1
531 1 82 LYS HA 1 82 LYS QB 2.500 . 3.700 2.431 2.171 2.536 . 0 0 "[ . 1 . 2]" 1
532 1 82 LYS HA 1 82 LYS QG 3.000 . 4.300 2.505 2.088 3.332 . 0 0 "[ . 1 . 2]" 1
533 1 82 LYS QB 1 82 LYS QD 3.000 . 4.300 2.214 1.953 2.687 . 0 0 "[ . 1 . 2]" 1
534 1 82 LYS QE 1 82 LYS QG 3.000 . 4.300 2.218 2.007 2.684 . 0 0 "[ . 1 . 2]" 1
535 1 83 ILE HA 1 83 ILE HB 2.500 . 3.700 2.548 2.395 3.023 . 0 0 "[ . 1 . 2]" 1
536 1 83 ILE HB 1 83 ILE MD 3.000 . 4.300 2.327 2.047 3.233 . 0 0 "[ . 1 . 2]" 1
537 1 84 LEU HA 1 84 LEU QB 2.500 . 3.700 2.406 2.161 2.538 . 0 0 "[ . 1 . 2]" 1
538 1 84 LEU HA 1 84 LEU HG 3.000 . 3.300 2.477 2.092 3.516 0.216 12 0 "[ . 1 . 2]" 1
539 1 84 LEU QB 1 84 LEU HG 2.500 . 3.700 2.504 2.451 2.541 . 0 0 "[ . 1 . 2]" 1
540 1 85 GLU HA 1 85 GLU QB 2.500 . 3.700 2.416 2.175 2.540 . 0 0 "[ . 1 . 2]" 1
541 1 87 HIS HA 1 87 HIS QB 2.500 . 3.700 2.277 2.175 2.539 . 0 0 "[ . 1 . 2]" 1
542 1 88 LEU HA 1 88 LEU QB 2.500 . 3.700 2.468 2.163 2.534 . 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 54
_Distance_constraint_stats_list.Viol_count 199
_Distance_constraint_stats_list.Viol_total 95.602
_Distance_constraint_stats_list.Viol_max 0.201
_Distance_constraint_stats_list.Viol_rms 0.0163
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0240
_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 6 LEU 0.086 0.015 2 0 "[ . 1 . 2]"
1 8 GLY 0.070 0.016 3 0 "[ . 1 . 2]"
1 10 PHE 0.157 0.030 3 0 "[ . 1 . 2]"
1 11 THR 1.500 0.201 5 0 "[ . 1 . 2]"
1 12 LEU 0.142 0.087 14 0 "[ . 1 . 2]"
1 15 LEU 1.500 0.201 5 0 "[ . 1 . 2]"
1 16 PRO 1.030 0.135 1 0 "[ . 1 . 2]"
1 19 PHE 1.030 0.135 1 0 "[ . 1 . 2]"
1 25 TYR 0.128 0.041 18 0 "[ . 1 . 2]"
1 29 LEU 0.128 0.041 18 0 "[ . 1 . 2]"
1 38 ASP 0.142 0.087 14 0 "[ . 1 . 2]"
1 39 GLU 0.058 0.015 3 0 "[ . 1 . 2]"
1 40 ILE 0.157 0.030 3 0 "[ . 1 . 2]"
1 41 ALA 0.052 0.020 16 0 "[ . 1 . 2]"
1 42 ILE 0.070 0.016 3 0 "[ . 1 . 2]"
1 43 ILE 0.234 0.069 14 0 "[ . 1 . 2]"
1 44 SER 0.086 0.015 2 0 "[ . 1 . 2]"
1 52 HIS 0.234 0.069 14 0 "[ . 1 . 2]"
1 54 LEU 0.052 0.020 16 0 "[ . 1 . 2]"
1 56 LEU 0.058 0.015 3 0 "[ . 1 . 2]"
1 63 ASP 0.150 0.059 4 0 "[ . 1 . 2]"
1 65 ILE 0.128 0.043 12 0 "[ . 1 . 2]"
1 66 ARG 0.006 0.005 16 0 "[ . 1 . 2]"
1 67 LYS 0.180 0.059 4 0 "[ . 1 . 2]"
1 68 GLU 0.011 0.008 15 0 "[ . 1 . 2]"
1 69 LEU 0.179 0.043 12 0 "[ . 1 . 2]"
1 70 GLU 0.330 0.043 3 0 "[ . 1 . 2]"
1 71 GLU 0.284 0.032 8 0 "[ . 1 . 2]"
1 72 ALA 0.011 0.008 15 0 "[ . 1 . 2]"
1 73 GLY 0.051 0.014 19 0 "[ . 1 . 2]"
1 74 ALA 0.324 0.043 3 0 "[ . 1 . 2]"
1 75 LYS 0.254 0.032 8 0 "[ . 1 . 2]"
1 81 LEU 0.264 0.047 2 0 "[ . 1 . 2]"
1 82 LYS 0.005 0.005 19 0 "[ . 1 . 2]"
1 83 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LEU 0.102 0.023 12 0 "[ . 1 . 2]"
1 85 GLU 0.264 0.047 2 0 "[ . 1 . 2]"
1 86 GLY 0.005 0.005 19 0 "[ . 1 . 2]"
1 87 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.102 0.023 12 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 PHE H 1 40 ILE O 2.300 . 2.500 2.236 1.709 2.530 0.030 3 0 "[ . 1 . 2]" 2
2 1 10 PHE N 1 40 ILE O 3.300 2.500 3.500 2.970 2.578 3.418 . 0 0 "[ . 1 . 2]" 2
3 1 8 GLY H 1 42 ILE O 2.300 . 2.500 2.211 1.731 2.507 0.007 16 0 "[ . 1 . 2]" 2
4 1 8 GLY N 1 42 ILE O 3.300 2.500 3.500 3.023 2.654 3.406 . 0 0 "[ . 1 . 2]" 2
5 1 12 LEU H 1 38 ASP O 2.300 . 2.500 2.348 1.800 2.587 0.087 14 0 "[ . 1 . 2]" 2
6 1 12 LEU N 1 38 ASP O 3.300 2.500 3.500 3.025 2.578 3.417 . 0 0 "[ . 1 . 2]" 2
7 1 6 LEU H 1 44 SER O 2.300 . 2.500 2.401 2.033 2.515 0.015 2 0 "[ . 1 . 2]" 2
8 1 6 LEU N 1 44 SER O 3.300 2.500 3.500 3.213 2.583 3.487 . 0 0 "[ . 1 . 2]" 2
9 1 11 THR O 1 15 LEU H 2.300 . 2.500 2.522 2.075 2.701 0.201 5 0 "[ . 1 . 2]" 2
10 1 11 THR O 1 15 LEU N 3.300 2.500 3.500 2.984 2.448 3.555 0.055 7 0 "[ . 1 . 2]" 2
11 1 43 ILE O 1 52 HIS H 2.300 . 2.500 2.357 1.735 2.569 0.069 14 0 "[ . 1 . 2]" 2
12 1 43 ILE O 1 52 HIS N 3.300 2.500 3.500 3.196 2.589 3.467 . 0 0 "[ . 1 . 2]" 2
13 1 10 PHE O 1 40 ILE H 2.300 . 2.500 2.195 1.666 2.526 0.026 11 0 "[ . 1 . 2]" 2
14 1 10 PHE O 1 40 ILE N 3.300 2.500 3.500 3.072 2.616 3.438 . 0 0 "[ . 1 . 2]" 2
15 1 41 ALA H 1 54 LEU O 2.300 . 2.500 2.200 1.697 2.520 0.020 16 0 "[ . 1 . 2]" 2
16 1 41 ALA N 1 54 LEU O 3.300 2.500 3.500 3.076 2.635 3.485 . 0 0 "[ . 1 . 2]" 2
17 1 8 GLY O 1 42 ILE H 2.300 . 2.500 2.406 2.117 2.516 0.016 3 0 "[ . 1 . 2]" 2
18 1 8 GLY O 1 42 ILE N 3.300 2.500 3.500 3.273 2.993 3.457 . 0 0 "[ . 1 . 2]" 2
19 1 43 ILE H 1 52 HIS O 2.300 . 2.500 2.357 1.858 2.514 0.014 19 0 "[ . 1 . 2]" 2
20 1 43 ILE N 1 52 HIS O 3.300 2.500 3.500 3.237 2.783 3.465 . 0 0 "[ . 1 . 2]" 2
21 1 6 LEU O 1 44 SER H 2.300 . 2.500 2.156 1.707 2.500 . 0 0 "[ . 1 . 2]" 2
22 1 6 LEU O 1 44 SER N 3.300 2.500 3.500 3.030 2.605 3.412 . 0 0 "[ . 1 . 2]" 2
23 1 41 ALA O 1 54 LEU H 2.300 . 2.500 2.225 1.746 2.504 0.004 3 0 "[ . 1 . 2]" 2
24 1 41 ALA O 1 54 LEU N 3.300 2.500 3.500 3.067 2.640 3.453 . 0 0 "[ . 1 . 2]" 2
25 1 39 GLU O 1 56 LEU H 2.300 . 2.500 2.372 1.917 2.515 0.015 3 0 "[ . 1 . 2]" 2
26 1 39 GLU O 1 56 LEU N 3.300 2.500 3.500 3.157 2.653 3.435 . 0 0 "[ . 1 . 2]" 2
27 1 16 PRO O 1 19 PHE H 2.300 . 2.500 2.462 1.622 2.635 0.135 1 0 "[ . 1 . 2]" 2
28 1 16 PRO O 1 19 PHE N 3.300 2.500 3.500 3.062 2.600 3.462 . 0 0 "[ . 1 . 2]" 2
29 1 65 ILE O 1 69 LEU H 2.300 . 2.500 2.330 1.861 2.543 0.043 12 0 "[ . 1 . 2]" 2
30 1 65 ILE O 1 69 LEU N 3.300 2.500 3.500 3.254 2.771 3.512 0.012 12 0 "[ . 1 . 2]" 2
31 1 66 ARG O 1 70 GLU H 2.300 . 2.500 2.062 1.682 2.505 0.005 16 0 "[ . 1 . 2]" 2
32 1 66 ARG O 1 70 GLU N 3.300 2.500 3.500 2.996 2.573 3.430 . 0 0 "[ . 1 . 2]" 2
33 1 25 TYR O 1 29 LEU H 2.300 . 2.500 2.443 2.277 2.541 0.041 18 0 "[ . 1 . 2]" 2
34 1 25 TYR O 1 29 LEU N 3.300 2.500 3.500 2.633 2.522 3.046 . 0 0 "[ . 1 . 2]" 2
35 1 63 ASP O 1 67 LYS H 2.300 . 2.500 2.200 1.670 2.559 0.059 4 0 "[ . 1 . 2]" 2
36 1 63 ASP O 1 67 LYS N 3.300 2.500 3.500 3.120 2.621 3.539 0.039 4 0 "[ . 1 . 2]" 2
37 1 67 LYS O 1 71 GLU H 2.300 . 2.500 2.214 1.842 2.515 0.015 4 0 "[ . 1 . 2]" 2
38 1 67 LYS O 1 71 GLU N 3.300 2.500 3.500 3.038 2.739 3.318 . 0 0 "[ . 1 . 2]" 2
39 1 68 GLU O 1 72 ALA H 2.300 . 2.500 2.265 1.843 2.508 0.008 15 0 "[ . 1 . 2]" 2
40 1 68 GLU O 1 72 ALA N 3.300 2.500 3.500 3.129 2.612 3.361 . 0 0 "[ . 1 . 2]" 2
41 1 69 LEU O 1 73 GLY H 2.300 . 2.500 2.241 1.778 2.514 0.014 19 0 "[ . 1 . 2]" 2
42 1 69 LEU O 1 73 GLY N 3.300 2.500 3.500 2.920 2.604 3.326 . 0 0 "[ . 1 . 2]" 2
43 1 70 GLU O 1 74 ALA H 2.300 . 2.500 2.516 2.504 2.543 0.043 3 0 "[ . 1 . 2]" 2
44 1 70 GLU O 1 74 ALA N 3.300 2.500 3.500 3.445 3.363 3.491 . 0 0 "[ . 1 . 2]" 2
45 1 71 GLU O 1 75 LYS H 2.300 . 2.500 2.468 1.994 2.532 0.032 8 0 "[ . 1 . 2]" 2
46 1 71 GLU O 1 75 LYS N 3.300 2.500 3.500 3.056 2.559 3.495 . 0 0 "[ . 1 . 2]" 2
47 1 84 LEU O 1 88 LEU H 2.300 . 2.500 2.291 1.708 2.523 0.023 12 0 "[ . 1 . 2]" 2
48 1 84 LEU O 1 88 LEU N 3.300 2.500 3.500 2.809 2.577 3.228 . 0 0 "[ . 1 . 2]" 2
49 1 83 ILE O 1 87 HIS H 2.300 . 2.500 2.141 1.792 2.465 . 0 0 "[ . 1 . 2]" 2
50 1 83 ILE O 1 87 HIS N 3.300 2.500 3.500 2.924 2.582 3.264 . 0 0 "[ . 1 . 2]" 2
51 1 82 LYS O 1 86 GLY H 2.300 . 2.500 2.228 1.928 2.505 0.005 19 0 "[ . 1 . 2]" 2
52 1 82 LYS O 1 86 GLY N 3.300 2.500 3.500 2.962 2.714 3.239 . 0 0 "[ . 1 . 2]" 2
53 1 81 LEU O 1 85 GLU H 2.300 . 2.500 2.469 1.912 2.547 0.047 2 0 "[ . 1 . 2]" 2
54 1 81 LEU O 1 85 GLU N 3.300 2.500 3.500 3.324 2.837 3.475 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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