NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
464588 |
2kvz   |
16801 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kvz
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 648
_Distance_constraint_stats_list.Viol_count 545
_Distance_constraint_stats_list.Viol_total 269.315
_Distance_constraint_stats_list.Viol_max 0.160
_Distance_constraint_stats_list.Viol_rms 0.0070
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0247
_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 7 ASN 0.084 0.021 20 0 "[ . 1 . 2]"
1 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.246 0.045 7 0 "[ . 1 . 2]"
1 10 THR 0.045 0.028 11 0 "[ . 1 . 2]"
1 11 VAL 0.515 0.042 13 0 "[ . 1 . 2]"
1 12 ASN 0.389 0.055 7 0 "[ . 1 . 2]"
1 13 TYR 0.421 0.043 2 0 "[ . 1 . 2]"
1 14 LEU 1.318 0.071 14 0 "[ . 1 . 2]"
1 15 ASP 0.647 0.071 14 0 "[ . 1 . 2]"
1 16 GLU 1.616 0.160 5 0 "[ . 1 . 2]"
1 17 ASN 0.250 0.125 17 0 "[ . 1 . 2]"
1 18 ASN 1.554 0.160 5 0 "[ . 1 . 2]"
1 19 THR 0.266 0.125 17 0 "[ . 1 . 2]"
1 20 SER 0.018 0.013 3 0 "[ . 1 . 2]"
1 21 ILE 0.075 0.034 17 0 "[ . 1 . 2]"
1 22 ALA 0.087 0.019 17 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.939 0.141 5 0 "[ . 1 . 2]"
1 26 TYR 0.186 0.141 5 0 "[ . 1 . 2]"
1 27 LEU 1.023 0.071 6 0 "[ . 1 . 2]"
1 28 SER 0.232 0.071 6 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.031 0.011 1 0 "[ . 1 . 2]"
1 31 PHE 0.051 0.026 5 0 "[ . 1 . 2]"
1 32 ASN 0.086 0.036 5 0 "[ . 1 . 2]"
1 33 GLU 0.496 0.061 9 0 "[ . 1 . 2]"
1 34 ALA 0.008 0.008 5 0 "[ . 1 . 2]"
1 35 TYR 0.516 0.049 14 0 "[ . 1 . 2]"
1 36 ASN 0.204 0.053 8 0 "[ . 1 . 2]"
1 37 VAL 0.226 0.038 16 0 "[ . 1 . 2]"
1 38 PRO 0.104 0.064 3 0 "[ . 1 . 2]"
1 39 MET 0.335 0.042 14 0 "[ . 1 . 2]"
1 40 LYS 0.337 0.064 3 0 "[ . 1 . 2]"
1 41 LYS 0.888 0.081 6 0 "[ . 1 . 2]"
1 42 ILE 0.193 0.040 20 0 "[ . 1 . 2]"
1 43 LYS 0.579 0.108 13 0 "[ . 1 . 2]"
1 44 GLY 1.116 0.108 13 0 "[ . 1 . 2]"
1 45 TYR 0.642 0.041 1 0 "[ . 1 . 2]"
1 46 THR 0.771 0.122 14 0 "[ . 1 . 2]"
1 47 LEU 1.729 0.078 11 0 "[ . 1 . 2]"
1 48 LEU 0.209 0.037 18 0 "[ . 1 . 2]"
1 49 LYS 0.867 0.078 11 0 "[ . 1 . 2]"
1 50 TYR 1.053 0.141 10 0 "[ . 1 . 2]"
1 51 ASP 0.485 0.141 10 0 "[ . 1 . 2]"
1 52 SER 0.017 0.017 16 0 "[ . 1 . 2]"
1 53 GLU 0.017 0.017 16 0 "[ . 1 . 2]"
1 54 ILE 0.389 0.052 20 0 "[ . 1 . 2]"
1 57 VAL 0.088 0.036 5 0 "[ . 1 . 2]"
1 58 PHE 0.829 0.061 9 0 "[ . 1 . 2]"
1 59 THR 0.127 0.028 18 0 "[ . 1 . 2]"
1 60 GLU 0.230 0.032 8 0 "[ . 1 . 2]"
1 61 SER 0.069 0.032 8 0 "[ . 1 . 2]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLN 0.058 0.034 1 0 "[ . 1 . 2]"
1 64 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ILE 0.656 0.092 8 0 "[ . 1 . 2]"
1 66 ASN 0.004 0.004 9 0 "[ . 1 . 2]"
1 67 ILE 0.171 0.038 11 0 "[ . 1 . 2]"
1 68 ILE 1.609 0.063 6 0 "[ . 1 . 2]"
1 69 TYR 0.195 0.029 9 0 "[ . 1 . 2]"
1 70 GLN 0.127 0.020 12 0 "[ . 1 . 2]"
1 71 LYS 0.211 0.045 18 0 "[ . 1 . 2]"
1 72 LYS 1.104 0.122 14 0 "[ . 1 . 2]"
1 73 ALA 0.129 0.045 18 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 7 ASN HA 1 58 PHE QD 1.800 . 5.000 4.588 3.432 5.021 0.021 20 0 "[ . 1 . 2]" 1
2 1 7 ASN QB 1 58 PHE QD 1.800 . 5.000 3.344 2.412 4.966 . 0 0 "[ . 1 . 2]" 1
3 1 7 ASN QB 1 60 GLU HA 1.800 . 5.000 4.031 2.464 5.013 0.013 12 0 "[ . 1 . 2]" 1
4 1 7 ASN QD 1 31 PHE HA 1.800 . 5.000 3.193 1.999 4.511 . 0 0 "[ . 1 . 2]" 1
5 1 7 ASN QD 1 31 PHE H 1.800 . 5.000 3.649 2.290 5.008 0.008 6 0 "[ . 1 . 2]" 1
6 1 8 GLN HA 1 9 VAL H 1.800 . 2.600 2.157 2.104 2.237 . 0 0 "[ . 1 . 2]" 1
7 1 8 GLN QB 1 8 GLN QE 1.800 . 5.000 3.340 1.831 3.493 . 0 0 "[ . 1 . 2]" 1
8 1 8 GLN QG 1 26 TYR QD 1.800 . 5.000 3.713 2.549 4.866 . 0 0 "[ . 1 . 2]" 1
9 1 8 GLN QG 1 9 VAL H 1.800 . 5.000 3.912 3.104 4.424 . 0 0 "[ . 1 . 2]" 1
10 1 8 GLN H 1 8 GLN QG 1.800 . 5.000 2.963 2.001 4.101 . 0 0 "[ . 1 . 2]" 1
11 1 9 VAL HA 1 10 THR H 1.800 . 2.600 2.155 2.119 2.191 . 0 0 "[ . 1 . 2]" 1
12 1 9 VAL HB 1 11 VAL MG2 1.800 . 5.000 3.824 3.309 4.172 . 0 0 "[ . 1 . 2]" 1
13 1 9 VAL HB 1 27 LEU QB 1.800 . 5.000 2.081 1.780 4.317 0.020 9 0 "[ . 1 . 2]" 1
14 1 9 VAL HB 1 27 LEU MD1 1.800 . 5.000 4.057 2.840 4.798 . 0 0 "[ . 1 . 2]" 1
15 1 9 VAL HB 1 27 LEU H 1.800 . 5.000 3.489 2.926 4.782 . 0 0 "[ . 1 . 2]" 1
16 1 9 VAL HB 1 58 PHE QE 1.800 . 5.000 3.232 2.644 4.592 . 0 0 "[ . 1 . 2]" 1
17 1 9 VAL HB 1 58 PHE HZ 1.800 . 5.000 4.672 3.143 5.045 0.045 7 0 "[ . 1 . 2]" 1
18 1 9 VAL HB 1 65 ILE MD 1.800 . 5.500 4.377 3.219 5.503 0.003 3 0 "[ . 1 . 2]" 1
19 1 9 VAL MG1 1 10 THR H 1.800 . 5.500 2.854 2.559 3.859 . 0 0 "[ . 1 . 2]" 1
20 1 9 VAL MG1 1 27 LEU QB 1.800 . 5.500 3.143 2.596 4.066 . 0 0 "[ . 1 . 2]" 1
21 1 9 VAL MG1 1 35 TYR QE 1.800 . 5.000 3.159 2.471 3.880 . 0 0 "[ . 1 . 2]" 1
22 1 9 VAL MG1 1 58 PHE HA 1.800 . 5.500 5.134 3.244 5.532 0.032 19 0 "[ . 1 . 2]" 1
23 1 9 VAL MG1 1 58 PHE QD 1.800 . 5.500 4.714 2.766 5.249 . 0 0 "[ . 1 . 2]" 1
24 1 9 VAL MG1 1 58 PHE QE 1.800 . 5.500 4.265 2.363 4.704 . 0 0 "[ . 1 . 2]" 1
25 1 9 VAL MG1 1 63 GLN HA 1.800 . 5.500 4.572 4.017 5.278 . 0 0 "[ . 1 . 2]" 1
26 1 9 VAL MG1 1 63 GLN QB 1.800 . 5.000 2.287 1.827 3.158 . 0 0 "[ . 1 . 2]" 1
27 1 9 VAL MG1 1 63 GLN QG 1.800 . 5.000 3.676 2.859 4.642 . 0 0 "[ . 1 . 2]" 1
28 1 9 VAL MG1 1 63 GLN H 1.800 . 5.500 3.815 2.236 4.606 . 0 0 "[ . 1 . 2]" 1
29 1 9 VAL MG2 1 10 THR H 1.800 . 5.500 4.046 3.931 4.235 . 0 0 "[ . 1 . 2]" 1
30 1 9 VAL MG2 1 11 VAL MG2 1.800 . 5.000 4.538 2.829 4.941 . 0 0 "[ . 1 . 2]" 1
31 1 9 VAL MG2 1 27 LEU QB 1.800 . 5.500 3.307 1.846 3.598 . 0 0 "[ . 1 . 2]" 1
32 1 9 VAL MG2 1 27 LEU MD1 1.800 . 5.500 4.397 2.472 5.355 . 0 0 "[ . 1 . 2]" 1
33 1 9 VAL MG2 1 27 LEU MD2 1.800 . 5.500 3.714 2.624 5.526 0.026 6 0 "[ . 1 . 2]" 1
34 1 9 VAL MG2 1 27 LEU H 1.800 . 5.500 4.615 2.697 5.073 . 0 0 "[ . 1 . 2]" 1
35 1 9 VAL MG2 1 58 PHE QE 1.800 . 5.500 2.505 2.075 3.281 . 0 0 "[ . 1 . 2]" 1
36 1 9 VAL MG2 1 63 GLN QB 1.800 . 5.000 2.348 1.796 4.206 0.004 11 0 "[ . 1 . 2]" 1
37 1 9 VAL MG2 1 63 GLN QG 1.800 . 5.000 3.466 2.552 4.965 . 0 0 "[ . 1 . 2]" 1
38 1 9 VAL MG2 1 63 GLN H 1.800 . 5.500 3.268 2.564 4.882 . 0 0 "[ . 1 . 2]" 1
39 1 9 VAL MG2 1 65 ILE MD 1.800 . 5.000 3.804 3.520 4.519 . 0 0 "[ . 1 . 2]" 1
40 1 9 VAL MG2 1 65 ILE QG 1.800 . 5.500 4.183 2.960 5.080 . 0 0 "[ . 1 . 2]" 1
41 1 9 VAL H 1 27 LEU QB 1.800 . 5.000 3.165 2.553 3.770 . 0 0 "[ . 1 . 2]" 1
42 1 9 VAL H 1 9 VAL MG1 1.800 . 5.500 3.751 2.986 3.832 . 0 0 "[ . 1 . 2]" 1
43 1 9 VAL H 1 9 VAL MG2 1.800 . 5.500 2.434 2.115 2.686 . 0 0 "[ . 1 . 2]" 1
44 1 10 THR HA 1 11 VAL H 1.800 . 3.500 2.156 2.098 2.200 . 0 0 "[ . 1 . 2]" 1
45 1 10 THR HA 1 26 TYR HA 1.800 . 5.000 2.670 1.797 3.361 0.003 6 0 "[ . 1 . 2]" 1
46 1 10 THR HB 1 65 ILE H 1.800 . 5.000 3.810 3.165 4.647 . 0 0 "[ . 1 . 2]" 1
47 1 10 THR MG 1 11 VAL H 1.800 . 5.500 3.216 2.963 3.849 . 0 0 "[ . 1 . 2]" 1
48 1 10 THR MG 1 24 SER QB 1.800 . 5.500 2.638 1.941 4.435 . 0 0 "[ . 1 . 2]" 1
49 1 10 THR MG 1 25 LEU H 1.800 . 5.500 4.065 3.423 5.383 . 0 0 "[ . 1 . 2]" 1
50 1 10 THR MG 1 26 TYR QD 1.800 . 5.500 3.384 2.600 4.304 . 0 0 "[ . 1 . 2]" 1
51 1 10 THR MG 1 26 TYR QE 1.800 . 5.500 3.563 2.330 5.528 0.028 11 0 "[ . 1 . 2]" 1
52 1 10 THR H 1 10 THR MG 1.800 . 5.000 3.765 2.740 3.875 . 0 0 "[ . 1 . 2]" 1
53 1 10 THR H 1 63 GLN H 1.800 . 5.000 3.784 3.048 4.230 . 0 0 "[ . 1 . 2]" 1
54 1 10 THR H 1 64 THR HA 1.800 . 5.000 2.926 2.500 3.502 . 0 0 "[ . 1 . 2]" 1
55 1 10 THR H 1 65 ILE QG 1.800 . 5.500 4.295 3.551 4.797 . 0 0 "[ . 1 . 2]" 1
56 1 10 THR H 1 65 ILE H 1.800 . 5.000 3.806 3.323 4.110 . 0 0 "[ . 1 . 2]" 1
57 1 11 VAL HA 1 12 ASN H 1.800 . 3.500 2.140 2.110 2.181 . 0 0 "[ . 1 . 2]" 1
58 1 11 VAL HA 1 25 LEU H 1.800 . 5.000 4.824 4.601 5.014 0.014 6 0 "[ . 1 . 2]" 1
59 1 11 VAL HA 1 65 ILE HB 1.800 . 5.000 2.336 1.950 2.651 . 0 0 "[ . 1 . 2]" 1
60 1 11 VAL HA 1 65 ILE H 1.800 . 5.000 2.926 2.539 3.581 . 0 0 "[ . 1 . 2]" 1
61 1 11 VAL HB 1 12 ASN H 1.800 . 5.000 4.296 4.126 4.404 . 0 0 "[ . 1 . 2]" 1
62 1 11 VAL HB 1 13 TYR QE 1.800 . 5.000 3.834 2.958 4.533 . 0 0 "[ . 1 . 2]" 1
63 1 11 VAL HB 1 25 LEU QB 1.800 . 5.000 2.183 1.758 4.606 0.042 13 0 "[ . 1 . 2]" 1
64 1 11 VAL HB 1 25 LEU MD1 1.800 . 5.500 4.027 2.099 4.637 . 0 0 "[ . 1 . 2]" 1
65 1 11 VAL HB 1 25 LEU H 1.800 . 5.000 3.098 2.533 3.549 . 0 0 "[ . 1 . 2]" 1
66 1 11 VAL MG1 1 12 ASN H 1.800 . 5.500 2.960 2.631 3.190 . 0 0 "[ . 1 . 2]" 1
67 1 11 VAL MG1 1 13 TYR QD 1.800 . 5.500 3.635 3.443 3.975 . 0 0 "[ . 1 . 2]" 1
68 1 11 VAL MG1 1 13 TYR QE 1.800 . 5.500 3.069 2.830 3.531 . 0 0 "[ . 1 . 2]" 1
69 1 11 VAL MG1 1 25 LEU QB 1.800 . 5.500 3.339 2.776 5.390 . 0 0 "[ . 1 . 2]" 1
70 1 11 VAL MG1 1 25 LEU MD1 1.800 . 5.000 4.519 2.788 5.040 0.040 18 0 "[ . 1 . 2]" 1
71 1 11 VAL MG1 1 37 VAL MG1 1.800 . 5.000 3.143 1.930 4.643 . 0 0 "[ . 1 . 2]" 1
72 1 11 VAL MG1 1 65 ILE HB 1.800 . 5.500 2.940 2.357 3.822 . 0 0 "[ . 1 . 2]" 1
73 1 11 VAL MG1 1 67 ILE MD 1.800 . 5.500 2.397 1.947 3.636 . 0 0 "[ . 1 . 2]" 1
74 1 11 VAL MG1 1 67 ILE QG 1.800 . 5.500 2.609 1.976 3.086 . 0 0 "[ . 1 . 2]" 1
75 1 11 VAL MG2 1 12 ASN H 1.800 . 5.500 4.134 4.076 4.198 . 0 0 "[ . 1 . 2]" 1
76 1 11 VAL MG2 1 25 LEU QB 1.800 . 5.500 3.356 2.526 4.970 . 0 0 "[ . 1 . 2]" 1
77 1 11 VAL MG2 1 25 LEU MD1 1.800 . 5.000 4.096 2.244 4.766 . 0 0 "[ . 1 . 2]" 1
78 1 11 VAL MG2 1 25 LEU H 1.800 . 5.500 4.469 3.991 4.834 . 0 0 "[ . 1 . 2]" 1
79 1 11 VAL MG2 1 27 LEU HG 1.800 . 5.500 4.246 2.202 5.498 . 0 0 "[ . 1 . 2]" 1
80 1 11 VAL MG2 1 27 LEU H 1.800 . 5.500 3.481 2.595 4.128 . 0 0 "[ . 1 . 2]" 1
81 1 11 VAL MG2 1 37 VAL HA 1.800 . 5.500 3.714 3.216 4.277 . 0 0 "[ . 1 . 2]" 1
82 1 11 VAL MG2 1 37 VAL HB 1.800 . 5.500 4.600 3.227 5.511 0.011 2 0 "[ . 1 . 2]" 1
83 1 11 VAL MG2 1 37 VAL MG1 1.800 . 5.000 3.075 1.945 4.564 . 0 0 "[ . 1 . 2]" 1
84 1 11 VAL MG2 1 38 PRO QD 1.800 . 5.500 2.910 1.885 3.817 . 0 0 "[ . 1 . 2]" 1
85 1 11 VAL MG2 1 65 ILE HB 1.800 . 5.500 2.606 1.932 3.246 . 0 0 "[ . 1 . 2]" 1
86 1 11 VAL MG2 1 65 ILE MD 1.800 . 5.000 2.724 1.803 4.653 . 0 0 "[ . 1 . 2]" 1
87 1 11 VAL MG2 1 65 ILE QG 1.800 . 5.500 3.375 2.537 4.141 . 0 0 "[ . 1 . 2]" 1
88 1 11 VAL MG2 1 65 ILE H 1.800 . 5.500 3.978 3.397 4.483 . 0 0 "[ . 1 . 2]" 1
89 1 11 VAL H 1 11 VAL MG1 1.800 . 5.500 3.794 3.764 3.811 . 0 0 "[ . 1 . 2]" 1
90 1 11 VAL H 1 11 VAL MG2 1.800 . 5.500 2.327 2.227 2.448 . 0 0 "[ . 1 . 2]" 1
91 1 11 VAL H 1 25 LEU QB 1.800 . 5.000 3.492 2.582 4.959 . 0 0 "[ . 1 . 2]" 1
92 1 11 VAL H 1 25 LEU HG 1.800 . 5.000 4.336 4.016 5.026 0.026 13 0 "[ . 1 . 2]" 1
93 1 11 VAL H 1 25 LEU H 1.800 . 5.000 3.426 2.891 3.704 . 0 0 "[ . 1 . 2]" 1
94 1 11 VAL H 1 26 TYR HA 1.800 . 5.000 3.414 2.638 4.076 . 0 0 "[ . 1 . 2]" 1
95 1 12 ASN QB 1 14 LEU MD1 1.800 . 5.000 3.219 2.709 4.101 . 0 0 "[ . 1 . 2]" 1
96 1 12 ASN QB 1 14 LEU MD2 1.800 . 5.000 2.520 1.871 3.510 . 0 0 "[ . 1 . 2]" 1
97 1 12 ASN QB 1 14 LEU HG 1.800 . 5.000 2.810 2.312 3.636 . 0 0 "[ . 1 . 2]" 1
98 1 12 ASN QB 1 64 THR MG 1.800 . 5.000 3.271 2.152 4.528 . 0 0 "[ . 1 . 2]" 1
99 1 12 ASN QB 1 66 ASN HA 1.800 . 5.000 2.559 2.067 3.333 . 0 0 "[ . 1 . 2]" 1
100 1 12 ASN QB 1 67 ILE H 1.800 . 5.000 3.520 3.070 3.890 . 0 0 "[ . 1 . 2]" 1
101 1 12 ASN QD 1 64 THR MG 1.800 . 5.000 3.114 2.023 4.326 . 0 0 "[ . 1 . 2]" 1
102 1 12 ASN H 1 12 ASN QD 1.800 . 5.000 4.055 2.654 4.889 . 0 0 "[ . 1 . 2]" 1
103 1 12 ASN H 1 14 LEU MD2 1.800 . 5.500 5.327 5.004 5.548 0.048 10 0 "[ . 1 . 2]" 1
104 1 12 ASN H 1 64 THR MG 1.800 . 5.500 4.046 3.271 5.352 . 0 0 "[ . 1 . 2]" 1
105 1 12 ASN H 1 65 ILE HB 1.800 . 5.000 3.516 3.053 3.776 . 0 0 "[ . 1 . 2]" 1
106 1 12 ASN H 1 65 ILE MD 1.800 . 5.500 5.401 4.998 5.555 0.055 7 0 "[ . 1 . 2]" 1
107 1 12 ASN H 1 65 ILE MG 1.800 . 5.500 4.034 3.730 4.425 . 0 0 "[ . 1 . 2]" 1
108 1 12 ASN H 1 65 ILE H 1.800 . 5.000 3.621 3.138 3.969 . 0 0 "[ . 1 . 2]" 1
109 1 12 ASN H 1 66 ASN HA 1.800 . 5.000 3.309 2.782 3.772 . 0 0 "[ . 1 . 2]" 1
110 1 13 TYR HA 1 13 TYR QD 1.800 . 5.000 2.921 2.487 3.172 . 0 0 "[ . 1 . 2]" 1
111 1 13 TYR HA 1 14 LEU H 1.800 . 3.500 2.172 2.128 2.216 . 0 0 "[ . 1 . 2]" 1
112 1 13 TYR HA 1 67 ILE H 1.800 . 5.000 3.545 3.202 3.787 . 0 0 "[ . 1 . 2]" 1
113 1 13 TYR HA 1 69 TYR QE 1.800 . 5.000 3.509 2.292 4.424 . 0 0 "[ . 1 . 2]" 1
114 1 13 TYR QB 1 22 ALA MB 1.800 . 5.000 1.940 1.781 2.200 0.019 17 0 "[ . 1 . 2]" 1
115 1 13 TYR QB 1 22 ALA H 1.800 . 5.000 2.640 2.168 2.931 . 0 0 "[ . 1 . 2]" 1
116 1 13 TYR QB 1 42 ILE MD 1.800 . 5.500 3.088 2.242 4.582 . 0 0 "[ . 1 . 2]" 1
117 1 13 TYR QB 1 69 TYR QE 1.800 . 5.000 3.025 1.982 3.945 . 0 0 "[ . 1 . 2]" 1
118 1 13 TYR QD 1 22 ALA MB 1.800 . 5.000 2.448 1.882 3.005 . 0 0 "[ . 1 . 2]" 1
119 1 13 TYR QD 1 42 ILE MD 1.800 . 5.000 3.567 2.174 4.906 . 0 0 "[ . 1 . 2]" 1
120 1 13 TYR QD 1 67 ILE HB 1.800 . 5.000 3.383 2.275 4.033 . 0 0 "[ . 1 . 2]" 1
121 1 13 TYR QD 1 67 ILE MD 1.800 . 5.500 4.023 3.111 5.505 0.005 18 0 "[ . 1 . 2]" 1
122 1 13 TYR QD 1 67 ILE MG 1.800 . 5.500 3.229 2.331 3.859 . 0 0 "[ . 1 . 2]" 1
123 1 13 TYR QD 1 69 TYR QE 1.800 . 5.000 1.879 1.788 2.323 0.012 10 0 "[ . 1 . 2]" 1
124 1 13 TYR QE 1 25 LEU QB 1.800 . 5.000 2.645 1.894 5.008 0.008 6 0 "[ . 1 . 2]" 1
125 1 13 TYR QE 1 25 LEU MD2 1.800 . 5.500 3.054 1.958 3.424 . 0 0 "[ . 1 . 2]" 1
126 1 13 TYR QE 1 25 LEU H 1.800 . 5.000 3.552 2.655 4.333 . 0 0 "[ . 1 . 2]" 1
127 1 13 TYR QE 1 39 MET HA 1.800 . 5.000 2.958 1.934 3.931 . 0 0 "[ . 1 . 2]" 1
128 1 13 TYR QE 1 67 ILE MD 1.800 . 5.500 3.625 2.202 5.505 0.005 8 0 "[ . 1 . 2]" 1
129 1 13 TYR H 1 13 TYR QD 1.800 . 5.000 2.463 2.097 2.977 . 0 0 "[ . 1 . 2]" 1
130 1 13 TYR H 1 14 LEU MD2 1.800 . 6.000 4.052 3.660 4.291 . 0 0 "[ . 1 . 2]" 1
131 1 13 TYR H 1 20 SER HA 1.800 . 5.000 4.370 3.958 4.758 . 0 0 "[ . 1 . 2]" 1
132 1 13 TYR H 1 22 ALA MB 1.800 . 5.000 3.753 3.044 4.063 . 0 0 "[ . 1 . 2]" 1
133 1 14 LEU HA 1 14 LEU MD1 1.800 . 5.500 3.843 3.797 3.916 . 0 0 "[ . 1 . 2]" 1
134 1 14 LEU HA 1 14 LEU MD2 1.800 . 4.000 2.013 1.895 2.191 . 0 0 "[ . 1 . 2]" 1
135 1 14 LEU HA 1 15 ASP H 1.800 . 3.500 2.271 2.098 2.640 . 0 0 "[ . 1 . 2]" 1
136 1 14 LEU HA 1 19 THR H 1.800 . 5.000 4.201 3.076 4.960 . 0 0 "[ . 1 . 2]" 1
137 1 14 LEU HA 1 21 ILE H 1.800 . 5.000 3.082 2.695 3.426 . 0 0 "[ . 1 . 2]" 1
138 1 14 LEU QB 1 14 LEU MD1 1.800 . 5.500 2.095 2.089 2.111 . 0 0 "[ . 1 . 2]" 1
139 1 14 LEU QB 1 14 LEU MD2 1.800 . 5.500 2.333 2.279 2.377 . 0 0 "[ . 1 . 2]" 1
140 1 14 LEU QB 1 18 ASN HA 1.800 . 5.000 2.436 1.769 3.855 0.031 17 0 "[ . 1 . 2]" 1
141 1 14 LEU QB 1 18 ASN H 1.800 . 5.000 3.674 2.965 4.277 . 0 0 "[ . 1 . 2]" 1
142 1 14 LEU QB 1 19 THR H 1.800 . 5.000 3.664 2.835 4.448 . 0 0 "[ . 1 . 2]" 1
143 1 14 LEU QB 1 68 ILE HA 1.800 . 5.000 2.299 1.943 2.549 . 0 0 "[ . 1 . 2]" 1
144 1 14 LEU QB 1 68 ILE QG 1.800 . 5.500 2.047 1.815 2.291 . 0 0 "[ . 1 . 2]" 1
145 1 14 LEU QB 1 69 TYR H 1.800 . 5.000 3.731 3.343 3.991 . 0 0 "[ . 1 . 2]" 1
146 1 14 LEU MD1 1 15 ASP H 1.800 . 5.500 4.530 3.826 4.942 . 0 0 "[ . 1 . 2]" 1
147 1 14 LEU MD1 1 18 ASN HA 1.800 . 5.000 2.794 1.941 3.755 . 0 0 "[ . 1 . 2]" 1
148 1 14 LEU MD1 1 18 ASN QB 1.800 . 5.000 3.338 2.297 4.804 . 0 0 "[ . 1 . 2]" 1
149 1 14 LEU MD1 1 18 ASN H 1.800 . 5.500 4.537 3.363 5.419 . 0 0 "[ . 1 . 2]" 1
150 1 14 LEU MD1 1 19 THR H 1.800 . 5.500 4.795 4.275 5.512 0.012 10 0 "[ . 1 . 2]" 1
151 1 14 LEU MD1 1 66 ASN HA 1.800 . 5.000 3.207 2.632 3.796 . 0 0 "[ . 1 . 2]" 1
152 1 14 LEU MD1 1 66 ASN QB 1.800 . 5.000 2.101 1.854 2.555 . 0 0 "[ . 1 . 2]" 1
153 1 14 LEU MD1 1 66 ASN QD 1.800 . 5.500 3.428 2.546 4.050 . 0 0 "[ . 1 . 2]" 1
154 1 14 LEU MD1 1 68 ILE QG 1.800 . 5.500 2.343 1.783 2.852 0.017 16 0 "[ . 1 . 2]" 1
155 1 14 LEU MD2 1 15 ASP H 1.800 . 5.500 3.470 3.251 3.770 . 0 0 "[ . 1 . 2]" 1
156 1 14 LEU MD2 1 18 ASN HA 1.800 . 5.000 3.091 2.086 3.728 . 0 0 "[ . 1 . 2]" 1
157 1 14 LEU MD2 1 18 ASN QB 1.800 . 5.500 3.745 2.939 4.649 . 0 0 "[ . 1 . 2]" 1
158 1 14 LEU MD2 1 18 ASN H 1.800 . 5.500 4.764 3.850 5.507 0.007 20 0 "[ . 1 . 2]" 1
159 1 14 LEU MD2 1 19 THR HA 1.800 . 5.000 3.621 3.070 4.450 . 0 0 "[ . 1 . 2]" 1
160 1 14 LEU MD2 1 19 THR H 1.800 . 5.500 3.793 3.149 4.494 . 0 0 "[ . 1 . 2]" 1
161 1 14 LEU MD2 1 20 SER HA 1.800 . 5.000 2.310 1.948 2.779 . 0 0 "[ . 1 . 2]" 1
162 1 14 LEU MD2 1 20 SER QB 1.800 . 5.000 3.119 2.334 3.755 . 0 0 "[ . 1 . 2]" 1
163 1 14 LEU MD2 1 20 SER H 1.800 . 5.500 3.304 2.839 3.979 . 0 0 "[ . 1 . 2]" 1
164 1 14 LEU MD2 1 21 ILE H 1.800 . 5.000 3.879 3.516 4.243 . 0 0 "[ . 1 . 2]" 1
165 1 14 LEU MD2 1 67 ILE H 1.800 . 5.500 4.921 4.658 5.146 . 0 0 "[ . 1 . 2]" 1
166 1 14 LEU HG 1 15 ASP H 1.800 . 5.000 4.940 4.581 5.071 0.071 14 0 "[ . 1 . 2]" 1
167 1 14 LEU HG 1 66 ASN HA 1.800 . 5.000 3.396 3.136 3.717 . 0 0 "[ . 1 . 2]" 1
168 1 14 LEU H 1 14 LEU MD1 1.800 . 5.500 3.884 3.676 4.049 . 0 0 "[ . 1 . 2]" 1
169 1 14 LEU H 1 14 LEU MD2 1.800 . 5.500 3.488 3.346 3.697 . 0 0 "[ . 1 . 2]" 1
170 1 14 LEU H 1 14 LEU HG 1.800 . 5.000 2.660 2.440 2.890 . 0 0 "[ . 1 . 2]" 1
171 1 14 LEU H 1 67 ILE HB 1.800 . 5.000 3.674 3.392 3.957 . 0 0 "[ . 1 . 2]" 1
172 1 14 LEU H 1 67 ILE H 1.800 . 5.000 3.684 3.345 3.981 . 0 0 "[ . 1 . 2]" 1
173 1 14 LEU H 1 68 ILE HA 1.800 . 5.000 2.842 2.618 3.038 . 0 0 "[ . 1 . 2]" 1
174 1 14 LEU H 1 68 ILE MD 1.800 . 5.500 5.504 5.317 5.552 0.052 7 0 "[ . 1 . 2]" 1
175 1 14 LEU H 1 69 TYR QD 1.800 . 5.000 3.737 3.061 4.558 . 0 0 "[ . 1 . 2]" 1
176 1 14 LEU H 1 69 TYR H 1.800 . 5.000 3.670 3.263 4.051 . 0 0 "[ . 1 . 2]" 1
177 1 15 ASP HA 1 16 GLU H 1.800 . 3.500 2.837 2.090 3.531 0.031 1 0 "[ . 1 . 2]" 1
178 1 15 ASP HA 1 21 ILE MG 1.800 . 5.500 3.587 2.868 4.412 . 0 0 "[ . 1 . 2]" 1
179 1 15 ASP HA 1 68 ILE MG 1.800 . 5.500 3.738 2.632 5.244 . 0 0 "[ . 1 . 2]" 1
180 1 15 ASP HA 1 69 TYR H 1.800 . 5.000 3.232 2.414 4.009 . 0 0 "[ . 1 . 2]" 1
181 1 15 ASP QB 1 18 ASN H 1.800 . 5.000 3.906 2.685 5.025 0.025 11 0 "[ . 1 . 2]" 1
182 1 15 ASP QB 1 21 ILE MG 1.800 . 5.000 2.128 1.794 4.173 0.006 1 0 "[ . 1 . 2]" 1
183 1 15 ASP QB 1 45 TYR QE 1.800 . 5.000 3.871 2.534 5.013 0.013 15 0 "[ . 1 . 2]" 1
184 1 15 ASP H 1 18 ASN HA 1.800 . 5.000 3.655 2.081 5.021 0.021 3 0 "[ . 1 . 2]" 1
185 1 15 ASP H 1 21 ILE MG 1.800 . 5.500 3.363 2.677 4.340 . 0 0 "[ . 1 . 2]" 1
186 1 15 ASP H 1 68 ILE HA 1.800 . 5.000 4.779 3.955 5.026 0.026 9 0 "[ . 1 . 2]" 1
187 1 15 ASP H 1 68 ILE QG 1.800 . 5.500 5.049 3.742 5.531 0.031 16 0 "[ . 1 . 2]" 1
188 1 15 ASP H 1 68 ILE MG 1.800 . 5.500 4.297 3.467 4.828 . 0 0 "[ . 1 . 2]" 1
189 1 15 ASP H 1 69 TYR H 1.800 . 5.000 4.674 4.235 4.864 . 0 0 "[ . 1 . 2]" 1
190 1 16 GLU HA 1 18 ASN H 1.800 . 5.000 3.442 3.114 3.896 . 0 0 "[ . 1 . 2]" 1
191 1 16 GLU HA 1 68 ILE MG 1.800 . 5.000 2.660 2.156 3.476 . 0 0 "[ . 1 . 2]" 1
192 1 16 GLU QB 1 18 ASN H 1.800 . 5.000 4.262 3.973 4.463 . 0 0 "[ . 1 . 2]" 1
193 1 16 GLU QB 1 48 LEU MD1 1.800 . 5.500 5.156 4.357 5.537 0.037 18 0 "[ . 1 . 2]" 1
194 1 16 GLU QB 1 68 ILE MG 1.800 . 5.500 3.728 2.054 4.492 . 0 0 "[ . 1 . 2]" 1
195 1 16 GLU QG 1 17 ASN H 1.800 . 5.000 3.740 2.868 4.510 . 0 0 "[ . 1 . 2]" 1
196 1 16 GLU QG 1 48 LEU MD1 1.800 . 5.500 4.494 3.601 5.509 0.009 12 0 "[ . 1 . 2]" 1
197 1 16 GLU QG 1 48 LEU MD2 1.800 . 5.000 3.249 2.050 5.017 0.017 6 0 "[ . 1 . 2]" 1
198 1 16 GLU QG 1 68 ILE MG 1.800 . 5.000 3.692 2.305 5.051 0.051 11 0 "[ . 1 . 2]" 1
199 1 16 GLU H 1 16 GLU QG 1.800 . 5.000 3.915 2.231 4.413 . 0 0 "[ . 1 . 2]" 1
200 1 16 GLU H 1 18 ASN HA 1.800 . 5.000 4.842 3.995 5.160 0.160 5 0 "[ . 1 . 2]" 1
201 1 16 GLU H 1 68 ILE MG 1.800 . 5.500 3.568 2.200 4.296 . 0 0 "[ . 1 . 2]" 1
202 1 17 ASN HA 1 17 ASN QD 1.800 . 5.000 3.664 1.818 4.312 . 0 0 "[ . 1 . 2]" 1
203 1 17 ASN QB 1 19 THR HB 1.800 . 5.000 4.045 3.300 5.046 0.046 17 0 "[ . 1 . 2]" 1
204 1 17 ASN QB 1 19 THR MG 1.800 . 5.500 4.576 2.059 5.625 0.125 17 0 "[ . 1 . 2]" 1
205 1 17 ASN QB 1 19 THR H 1.800 . 5.000 3.631 2.843 5.015 0.015 5 0 "[ . 1 . 2]" 1
206 1 17 ASN H 1 17 ASN QB 1.800 . 3.500 2.456 2.260 2.748 . 0 0 "[ . 1 . 2]" 1
207 1 17 ASN H 1 17 ASN QD 1.800 . 5.000 2.966 2.076 4.159 . 0 0 "[ . 1 . 2]" 1
208 1 17 ASN H 1 18 ASN HA 1.800 . 5.000 4.733 4.516 5.045 0.045 3 0 "[ . 1 . 2]" 1
209 1 18 ASN HA 1 19 THR H 1.800 . 3.500 2.870 2.133 3.291 . 0 0 "[ . 1 . 2]" 1
210 1 18 ASN H 1 18 ASN HA 1.800 . 2.900 2.241 2.208 2.277 . 0 0 "[ . 1 . 2]" 1
211 1 18 ASN H 1 68 ILE QG 1.800 . 5.500 5.152 4.402 5.515 0.015 10 0 "[ . 1 . 2]" 1
212 1 19 THR HA 1 20 SER QB 1.800 . 5.500 4.335 3.981 4.617 . 0 0 "[ . 1 . 2]" 1
213 1 19 THR HA 1 20 SER H 1.800 . 3.500 2.196 2.141 2.293 . 0 0 "[ . 1 . 2]" 1
214 1 19 THR HB 1 20 SER H 1.800 . 5.000 4.089 3.923 4.458 . 0 0 "[ . 1 . 2]" 1
215 1 19 THR HB 1 21 ILE MG 1.800 . 5.500 3.652 2.558 5.359 . 0 0 "[ . 1 . 2]" 1
216 1 19 THR MG 1 20 SER QB 1.800 . 5.500 3.965 3.534 5.058 . 0 0 "[ . 1 . 2]" 1
217 1 19 THR MG 1 20 SER H 1.800 . 5.500 2.714 2.328 3.908 . 0 0 "[ . 1 . 2]" 1
218 1 19 THR MG 1 21 ILE MG 1.800 . 5.000 3.565 2.957 4.990 . 0 0 "[ . 1 . 2]" 1
219 1 19 THR H 1 19 THR HB 1.800 . 3.500 2.677 2.311 3.005 . 0 0 "[ . 1 . 2]" 1
220 1 19 THR H 1 19 THR MG 1.800 . 5.500 3.734 1.937 3.990 . 0 0 "[ . 1 . 2]" 1
221 1 19 THR H 1 20 SER H 1.800 . 5.000 4.428 4.166 4.598 . 0 0 "[ . 1 . 2]" 1
222 1 19 THR H 1 21 ILE MG 1.800 . 5.500 4.676 3.917 5.534 0.034 17 0 "[ . 1 . 2]" 1
223 1 20 SER HA 1 22 ALA H 1.800 . 3.500 3.411 3.226 3.513 0.013 3 0 "[ . 1 . 2]" 1
224 1 20 SER QB 1 22 ALA H 1.800 . 5.000 3.656 3.065 4.431 . 0 0 "[ . 1 . 2]" 1
225 1 20 SER H 1 20 SER QB 1.800 . 3.500 2.426 2.194 2.769 . 0 0 "[ . 1 . 2]" 1
226 1 20 SER H 1 21 ILE MG 1.800 . 6.000 4.947 4.585 5.745 . 0 0 "[ . 1 . 2]" 1
227 1 21 ILE HA 1 21 ILE MD 1.800 . 5.500 4.060 1.991 4.196 . 0 0 "[ . 1 . 2]" 1
228 1 21 ILE HB 1 22 ALA H 1.800 . 5.000 4.000 3.729 4.176 . 0 0 "[ . 1 . 2]" 1
229 1 21 ILE MD 1 45 TYR QD 1.800 . 5.000 3.144 2.159 4.466 . 0 0 "[ . 1 . 2]" 1
230 1 21 ILE MD 1 45 TYR QE 1.800 . 5.000 2.824 1.820 4.065 . 0 0 "[ . 1 . 2]" 1
231 1 21 ILE MD 1 69 TYR QB 1.800 . 5.000 2.878 1.852 5.009 0.009 5 0 "[ . 1 . 2]" 1
232 1 21 ILE QG 1 22 ALA MB 1.800 . 5.500 2.849 2.602 3.623 . 0 0 "[ . 1 . 2]" 1
233 1 21 ILE QG 1 22 ALA H 1.800 . 5.500 2.691 2.149 3.996 . 0 0 "[ . 1 . 2]" 1
234 1 21 ILE MG 1 22 ALA MB 1.800 . 5.500 4.666 2.578 4.984 . 0 0 "[ . 1 . 2]" 1
235 1 21 ILE MG 1 22 ALA H 1.800 . 5.500 3.943 2.353 4.246 . 0 0 "[ . 1 . 2]" 1
236 1 21 ILE MG 1 45 TYR QE 1.800 . 5.000 3.386 2.196 4.583 . 0 0 "[ . 1 . 2]" 1
237 1 21 ILE H 1 21 ILE MD 1.800 . 5.500 3.654 3.525 4.437 . 0 0 "[ . 1 . 2]" 1
238 1 21 ILE H 1 21 ILE QG 1.800 . 5.500 2.083 1.800 4.086 . 0 0 "[ . 1 . 2]" 1
239 1 21 ILE H 1 22 ALA MB 1.800 . 6.000 4.235 3.945 4.433 . 0 0 "[ . 1 . 2]" 1
240 1 21 ILE H 1 22 ALA H 1.800 . 3.500 2.351 2.143 2.499 . 0 0 "[ . 1 . 2]" 1
241 1 22 ALA HA 1 23 PRO QG 1.800 . 5.500 3.904 3.764 4.064 . 0 0 "[ . 1 . 2]" 1
242 1 22 ALA MB 1 23 PRO QD 1.800 . 5.500 2.217 1.925 2.530 . 0 0 "[ . 1 . 2]" 1
243 1 22 ALA MB 1 42 ILE MD 1.800 . 5.000 2.470 1.804 3.604 . 0 0 "[ . 1 . 2]" 1
244 1 22 ALA MB 1 42 ILE MG 1.800 . 5.000 3.920 2.738 5.013 0.013 12 0 "[ . 1 . 2]" 1
245 1 22 ALA H 1 23 PRO QD 1.800 . 6.000 4.336 4.246 4.398 . 0 0 "[ . 1 . 2]" 1
246 1 23 PRO HA 1 24 SER QB 1.800 . 5.500 4.423 4.086 4.611 . 0 0 "[ . 1 . 2]" 1
247 1 23 PRO HA 1 24 SER H 1.800 . 2.900 2.185 2.126 2.274 . 0 0 "[ . 1 . 2]" 1
248 1 24 SER HA 1 25 LEU H 1.800 . 3.500 2.155 2.120 2.284 . 0 0 "[ . 1 . 2]" 1
249 1 25 LEU HA 1 25 LEU MD1 1.800 . 5.500 2.462 2.033 3.761 . 0 0 "[ . 1 . 2]" 1
250 1 25 LEU HA 1 25 LEU MD2 1.800 . 5.500 3.716 1.871 4.068 . 0 0 "[ . 1 . 2]" 1
251 1 25 LEU HA 1 26 TYR QB 1.800 . 5.500 4.444 4.296 4.630 . 0 0 "[ . 1 . 2]" 1
252 1 25 LEU HA 1 26 TYR QD 1.800 . 5.500 3.934 3.045 4.411 . 0 0 "[ . 1 . 2]" 1
253 1 25 LEU HA 1 26 TYR H 1.800 . 3.500 2.183 2.124 2.410 . 0 0 "[ . 1 . 2]" 1
254 1 25 LEU QB 1 25 LEU MD1 1.800 . 5.500 2.272 2.028 2.332 . 0 0 "[ . 1 . 2]" 1
255 1 25 LEU QB 1 25 LEU MD2 1.800 . 5.500 2.113 2.068 2.367 . 0 0 "[ . 1 . 2]" 1
256 1 25 LEU MD1 1 26 TYR HA 1.800 . 5.500 4.474 3.288 5.641 0.141 5 0 "[ . 1 . 2]" 1
257 1 25 LEU MD1 1 26 TYR H 1.800 . 5.500 2.849 2.022 4.190 . 0 0 "[ . 1 . 2]" 1
258 1 25 LEU MD1 1 38 PRO QB 1.800 . 5.500 4.598 2.935 5.506 0.006 11 0 "[ . 1 . 2]" 1
259 1 25 LEU MD1 1 38 PRO QD 1.800 . 5.500 4.419 2.786 5.510 0.010 1 0 "[ . 1 . 2]" 1
260 1 25 LEU MD1 1 38 PRO QG 1.800 . 5.500 3.685 2.450 4.389 . 0 0 "[ . 1 . 2]" 1
261 1 11 VAL MG1 1 25 LEU MD2 1.800 . 5.000 3.248 2.546 5.009 0.009 13 0 "[ . 1 . 2]" 1
262 1 11 VAL MG2 1 25 LEU MD2 1.800 . 5.000 3.185 2.407 4.650 . 0 0 "[ . 1 . 2]" 1
263 1 13 TYR QD 1 25 LEU MD2 1.800 . 5.000 4.886 3.773 5.043 0.043 2 0 "[ . 1 . 2]" 1
264 1 25 LEU MD2 1 38 PRO QB 1.800 . 5.000 3.350 2.363 4.783 . 0 0 "[ . 1 . 2]" 1
265 1 25 LEU MD2 1 38 PRO QD 1.800 . 5.500 3.157 2.258 5.158 . 0 0 "[ . 1 . 2]" 1
266 1 25 LEU MD2 1 38 PRO QG 1.800 . 5.500 2.592 1.790 4.373 0.010 8 0 "[ . 1 . 2]" 1
267 1 25 LEU H 1 25 LEU MD1 1.800 . 5.500 4.062 3.062 4.271 . 0 0 "[ . 1 . 2]" 1
268 1 25 LEU H 1 25 LEU HG 1.800 . 5.000 3.988 2.052 4.643 . 0 0 "[ . 1 . 2]" 1
269 1 26 TYR HA 1 26 TYR QD 1.800 . 5.000 2.947 2.409 3.756 . 0 0 "[ . 1 . 2]" 1
270 1 26 TYR HA 1 27 LEU QB 1.800 . 5.500 4.173 4.027 4.402 . 0 0 "[ . 1 . 2]" 1
271 1 26 TYR HA 1 27 LEU H 1.800 . 2.600 2.143 2.085 2.246 . 0 0 "[ . 1 . 2]" 1
272 1 26 TYR H 1 26 TYR QD 1.800 . 5.000 2.673 2.266 3.066 . 0 0 "[ . 1 . 2]" 1
273 1 27 LEU HA 1 27 LEU MD2 1.800 . 4.000 3.253 1.894 3.921 . 0 0 "[ . 1 . 2]" 1
274 1 27 LEU QB 1 27 LEU MD1 1.800 . 5.500 2.225 2.091 2.344 . 0 0 "[ . 1 . 2]" 1
275 1 27 LEU QB 1 27 LEU MD2 1.800 . 5.500 2.158 2.070 2.330 . 0 0 "[ . 1 . 2]" 1
276 1 27 LEU QB 1 28 SER H 1.800 . 4.500 3.708 2.522 4.029 . 0 0 "[ . 1 . 2]" 1
277 1 27 LEU QB 1 58 PHE QE 1.800 . 5.000 3.130 2.015 3.942 . 0 0 "[ . 1 . 2]" 1
278 1 27 LEU QB 1 58 PHE HZ 1.800 . 5.000 3.587 2.123 4.635 . 0 0 "[ . 1 . 2]" 1
279 1 27 LEU MD1 1 28 SER H 1.800 . 5.500 3.744 2.655 5.312 . 0 0 "[ . 1 . 2]" 1
280 1 27 LEU MD1 1 35 TYR HA 1.800 . 5.500 4.808 4.055 5.516 0.016 1 0 "[ . 1 . 2]" 1
281 1 27 LEU MD1 1 35 TYR QB 1.800 . 5.500 3.014 2.211 3.765 . 0 0 "[ . 1 . 2]" 1
282 1 27 LEU MD1 1 35 TYR QD 1.800 . 5.500 3.680 2.272 4.366 . 0 0 "[ . 1 . 2]" 1
283 1 27 LEU MD1 1 35 TYR QE 1.800 . 5.500 4.894 2.872 5.549 0.049 14 0 "[ . 1 . 2]" 1
284 1 27 LEU MD1 1 36 ASN QB 1.800 . 5.000 4.843 3.880 5.053 0.053 8 0 "[ . 1 . 2]" 1
285 1 27 LEU MD1 1 37 VAL HA 1.800 . 5.500 3.848 2.074 5.244 . 0 0 "[ . 1 . 2]" 1
286 1 27 LEU MD1 1 38 PRO QD 1.800 . 5.500 3.037 2.006 4.113 . 0 0 "[ . 1 . 2]" 1
287 1 27 LEU MD2 1 28 SER H 1.800 . 5.500 4.443 2.529 5.364 . 0 0 "[ . 1 . 2]" 1
288 1 27 LEU MD2 1 35 TYR QB 1.800 . 5.500 2.739 1.788 4.881 0.012 20 0 "[ . 1 . 2]" 1
289 1 27 LEU MD2 1 38 PRO QD 1.800 . 5.500 3.244 2.325 4.606 . 0 0 "[ . 1 . 2]" 1
290 1 27 LEU MD2 1 38 PRO QG 1.800 . 5.500 4.047 2.605 5.321 . 0 0 "[ . 1 . 2]" 1
291 1 27 LEU MD2 1 58 PHE QE 1.800 . 5.500 3.583 2.236 5.147 . 0 0 "[ . 1 . 2]" 1
292 1 27 LEU MD2 1 58 PHE HZ 1.800 . 5.500 3.239 1.797 4.657 0.003 3 0 "[ . 1 . 2]" 1
293 1 27 LEU HG 1 28 SER H 1.800 . 5.000 4.153 2.860 5.071 0.071 6 0 "[ . 1 . 2]" 1
294 1 27 LEU HG 1 58 PHE HZ 1.800 . 5.000 3.201 1.795 5.032 0.032 5 0 "[ . 1 . 2]" 1
295 1 27 LEU H 1 27 LEU MD2 1.800 . 5.500 4.069 3.403 4.347 . 0 0 "[ . 1 . 2]" 1
296 1 27 LEU H 1 27 LEU HG 1.800 . 5.000 3.870 2.413 4.507 . 0 0 "[ . 1 . 2]" 1
297 1 28 SER HA 1 29 GLY H 1.800 . 3.500 2.194 2.129 2.323 . 0 0 "[ . 1 . 2]" 1
298 1 28 SER H 1 29 GLY H 1.800 . 5.000 4.383 4.083 4.535 . 0 0 "[ . 1 . 2]" 1
299 1 29 GLY QA 1 30 LEU QB 1.800 . 5.500 4.142 3.694 4.221 . 0 0 "[ . 1 . 2]" 1
300 1 29 GLY QA 1 30 LEU H 1.800 . 3.500 2.201 2.080 2.291 . 0 0 "[ . 1 . 2]" 1
301 1 29 GLY QA 1 58 PHE QD 1.800 . 5.000 3.621 3.063 4.549 . 0 0 "[ . 1 . 2]" 1
302 1 29 GLY QA 1 58 PHE QE 1.800 . 5.000 3.007 2.561 3.898 . 0 0 "[ . 1 . 2]" 1
303 1 30 LEU HA 1 30 LEU MD1 1.800 . 5.500 3.575 1.901 3.889 . 0 0 "[ . 1 . 2]" 1
304 1 30 LEU HA 1 30 LEU MD2 1.800 . 5.500 2.260 1.968 3.877 . 0 0 "[ . 1 . 2]" 1
305 1 30 LEU HA 1 31 PHE QB 1.800 . 5.500 4.202 4.048 4.400 . 0 0 "[ . 1 . 2]" 1
306 1 30 LEU HA 1 31 PHE H 1.800 . 3.500 2.392 2.226 2.713 . 0 0 "[ . 1 . 2]" 1
307 1 30 LEU QB 1 30 LEU MD1 1.800 . 5.500 2.133 2.089 2.396 . 0 0 "[ . 1 . 2]" 1
308 1 30 LEU QB 1 31 PHE H 1.800 . 4.500 2.554 1.790 3.607 0.010 4 0 "[ . 1 . 2]" 1
309 1 30 LEU QB 1 33 GLU QB 1.800 . 5.000 2.331 1.789 3.222 0.011 1 0 "[ . 1 . 2]" 1
310 1 30 LEU MD2 1 31 PHE H 1.800 . 5.500 3.592 3.371 4.717 . 0 0 "[ . 1 . 2]" 1
311 1 30 LEU H 1 30 LEU MD1 1.800 . 5.500 3.820 3.581 4.231 . 0 0 "[ . 1 . 2]" 1
312 1 30 LEU H 1 30 LEU MD2 1.800 . 5.500 3.497 2.317 4.566 . 0 0 "[ . 1 . 2]" 1
313 1 30 LEU H 1 30 LEU HG 1.800 . 5.000 2.828 2.207 4.627 . 0 0 "[ . 1 . 2]" 1
314 1 30 LEU H 1 33 GLU QB 1.800 . 5.000 2.813 2.417 4.149 . 0 0 "[ . 1 . 2]" 1
315 1 31 PHE HA 1 31 PHE QD 1.800 . 5.000 2.619 2.155 2.909 . 0 0 "[ . 1 . 2]" 1
316 1 31 PHE HA 1 31 PHE QE 1.800 . 5.000 4.570 4.391 4.725 . 0 0 "[ . 1 . 2]" 1
317 1 31 PHE HA 1 32 ASN H 1.800 . 3.500 2.233 2.098 3.526 0.026 5 0 "[ . 1 . 2]" 1
318 1 31 PHE HA 1 33 GLU H 1.800 . 5.000 3.685 3.290 4.975 . 0 0 "[ . 1 . 2]" 1
319 1 31 PHE HA 1 58 PHE QB 1.800 . 5.000 2.691 2.158 3.442 . 0 0 "[ . 1 . 2]" 1
320 1 31 PHE QD 1 32 ASN QB 1.800 . 5.500 2.928 2.490 3.752 . 0 0 "[ . 1 . 2]" 1
321 1 31 PHE QD 1 60 GLU QG 1.800 . 5.000 3.391 1.839 4.791 . 0 0 "[ . 1 . 2]" 1
322 1 31 PHE QE 1 32 ASN QB 1.800 . 5.500 3.392 2.905 4.292 . 0 0 "[ . 1 . 2]" 1
323 1 31 PHE QE 1 59 THR HA 1.800 . 5.000 3.004 2.272 4.115 . 0 0 "[ . 1 . 2]" 1
324 1 31 PHE QE 1 59 THR MG 1.800 . 5.500 3.826 2.499 5.505 0.005 1 0 "[ . 1 . 2]" 1
325 1 31 PHE QE 1 60 GLU QG 1.800 . 5.000 2.541 1.801 4.647 . 0 0 "[ . 1 . 2]" 1
326 1 31 PHE H 1 31 PHE QB 1.800 . 3.500 2.271 2.235 2.541 . 0 0 "[ . 1 . 2]" 1
327 1 32 ASN HA 1 57 VAL HB 1.800 . 5.000 2.338 1.861 2.971 . 0 0 "[ . 1 . 2]" 1
328 1 32 ASN HA 1 57 VAL MG1 1.800 . 5.000 3.353 2.638 4.014 . 0 0 "[ . 1 . 2]" 1
329 1 32 ASN HA 1 57 VAL MG2 1.800 . 5.000 2.931 2.250 4.337 . 0 0 "[ . 1 . 2]" 1
330 1 32 ASN QB 1 57 VAL MG1 1.800 . 5.500 4.397 3.053 5.149 . 0 0 "[ . 1 . 2]" 1
331 1 32 ASN QD 1 57 VAL MG1 1.800 . 5.500 4.307 3.011 5.226 . 0 0 "[ . 1 . 2]" 1
332 1 32 ASN H 1 57 VAL HB 1.800 . 5.000 3.838 3.050 5.036 0.036 5 0 "[ . 1 . 2]" 1
333 1 32 ASN H 1 57 VAL MG1 1.800 . 5.500 5.030 4.462 5.524 0.024 6 0 "[ . 1 . 2]" 1
334 1 32 ASN H 1 58 PHE QB 1.800 . 5.000 2.900 2.314 4.575 . 0 0 "[ . 1 . 2]" 1
335 1 33 GLU HA 1 34 ALA MB 1.800 . 5.500 4.010 3.964 4.065 . 0 0 "[ . 1 . 2]" 1
336 1 33 GLU HA 1 34 ALA H 1.800 . 3.500 2.187 2.138 2.268 . 0 0 "[ . 1 . 2]" 1
337 1 33 GLU QB 1 57 VAL MG1 1.800 . 5.500 4.834 4.439 5.516 0.016 14 0 "[ . 1 . 2]" 1
338 1 33 GLU QB 1 58 PHE QD 1.800 . 5.000 1.967 1.754 3.329 0.046 17 0 "[ . 1 . 2]" 1
339 1 33 GLU QG 1 34 ALA MB 1.800 . 5.500 3.839 3.584 4.336 . 0 0 "[ . 1 . 2]" 1
340 1 33 GLU QG 1 34 ALA H 1.800 . 5.000 2.697 2.347 3.158 . 0 0 "[ . 1 . 2]" 1
341 1 33 GLU H 1 33 GLU QG 1.800 . 5.000 4.011 3.905 4.174 . 0 0 "[ . 1 . 2]" 1
342 1 33 GLU H 1 57 VAL HA 1.800 . 5.000 4.088 3.043 4.764 . 0 0 "[ . 1 . 2]" 1
343 1 33 GLU H 1 57 VAL HB 1.800 . 5.000 3.226 1.788 4.852 0.012 12 0 "[ . 1 . 2]" 1
344 1 33 GLU H 1 57 VAL MG1 1.800 . 5.500 4.061 3.037 4.593 . 0 0 "[ . 1 . 2]" 1
345 1 33 GLU H 1 58 PHE HA 1.800 . 5.000 4.919 4.434 5.061 0.061 9 0 "[ . 1 . 2]" 1
346 1 33 GLU H 1 58 PHE QB 1.800 . 5.000 2.589 2.282 3.127 . 0 0 "[ . 1 . 2]" 1
347 1 33 GLU H 1 58 PHE QD 1.800 . 5.000 2.936 2.451 3.889 . 0 0 "[ . 1 . 2]" 1
348 1 34 ALA HA 1 57 VAL MG1 1.800 . 5.000 2.632 2.136 4.137 . 0 0 "[ . 1 . 2]" 1
349 1 34 ALA HA 1 58 PHE QD 1.800 . 5.000 4.676 4.165 5.008 0.008 5 0 "[ . 1 . 2]" 1
350 1 34 ALA MB 1 57 VAL MG1 1.800 . 5.000 2.770 2.118 4.390 . 0 0 "[ . 1 . 2]" 1
351 1 35 TYR HA 1 58 PHE QE 1.800 . 5.000 3.656 3.144 4.209 . 0 0 "[ . 1 . 2]" 1
352 1 35 TYR QB 1 58 PHE QE 1.800 . 5.000 2.100 1.774 2.467 0.026 13 0 "[ . 1 . 2]" 1
353 1 35 TYR QD 1 37 VAL MG2 1.800 . 5.500 3.307 2.259 4.814 . 0 0 "[ . 1 . 2]" 1
354 1 35 TYR QE 1 37 VAL HA 1.800 . 5.000 4.489 3.309 5.018 0.018 4 0 "[ . 1 . 2]" 1
355 1 35 TYR QE 1 37 VAL MG2 1.800 . 5.000 2.854 1.804 4.806 . 0 0 "[ . 1 . 2]" 1
356 1 35 TYR QE 1 54 ILE MG 1.800 . 5.000 3.981 2.695 4.996 . 0 0 "[ . 1 . 2]" 1
357 1 35 TYR QE 1 58 PHE HA 1.800 . 5.000 3.432 2.641 4.489 . 0 0 "[ . 1 . 2]" 1
358 1 35 TYR QE 1 65 ILE MD 1.800 . 5.000 2.530 1.930 4.273 . 0 0 "[ . 1 . 2]" 1
359 1 36 ASN HA 1 37 VAL H 1.800 . 3.500 2.232 2.155 2.420 . 0 0 "[ . 1 . 2]" 1
360 1 37 VAL HA 1 38 PRO QG 1.800 . 5.500 3.730 3.684 3.850 . 0 0 "[ . 1 . 2]" 1
361 1 37 VAL HB 1 54 ILE HB 1.800 . 5.000 3.765 2.184 5.038 0.038 16 0 "[ . 1 . 2]" 1
362 1 37 VAL HB 1 54 ILE MD 1.800 . 5.000 3.346 1.795 5.011 0.011 4 0 "[ . 1 . 2]" 1
363 1 37 VAL HB 1 54 ILE MG 1.800 . 5.500 3.093 1.793 4.385 0.007 8 0 "[ . 1 . 2]" 1
364 1 35 TYR QE 1 37 VAL MG1 1.800 . 5.000 3.979 2.320 4.803 . 0 0 "[ . 1 . 2]" 1
365 1 37 VAL MG1 1 38 PRO QD 1.800 . 5.500 3.072 2.494 4.096 . 0 0 "[ . 1 . 2]" 1
366 1 37 VAL MG1 1 39 MET ME 1.800 . 5.000 3.882 2.286 4.863 . 0 0 "[ . 1 . 2]" 1
367 1 37 VAL MG1 1 54 ILE HA 1.800 . 5.500 4.622 3.288 5.499 . 0 0 "[ . 1 . 2]" 1
368 1 37 VAL MG1 1 54 ILE HB 1.800 . 5.500 3.536 1.850 5.535 0.035 8 0 "[ . 1 . 2]" 1
369 1 37 VAL MG1 1 54 ILE QG 1.800 . 5.500 4.354 3.435 5.510 0.010 20 0 "[ . 1 . 2]" 1
370 1 37 VAL MG1 1 65 ILE HB 1.800 . 5.500 4.283 3.132 5.519 0.019 6 0 "[ . 1 . 2]" 1
371 1 37 VAL MG1 1 65 ILE MD 1.800 . 5.500 3.211 1.993 4.679 . 0 0 "[ . 1 . 2]" 1
372 1 37 VAL MG1 1 65 ILE MG 1.800 . 5.500 2.829 1.908 3.500 . 0 0 "[ . 1 . 2]" 1
373 1 37 VAL MG1 1 67 ILE MD 1.800 . 5.000 2.506 1.911 3.622 . 0 0 "[ . 1 . 2]" 1
374 1 37 VAL MG2 1 38 PRO QD 1.800 . 5.500 3.328 2.234 4.104 . 0 0 "[ . 1 . 2]" 1
375 1 37 VAL MG2 1 54 ILE MD 1.800 . 5.000 3.246 1.787 5.029 0.029 11 0 "[ . 1 . 2]" 1
376 1 37 VAL MG2 1 54 ILE MG 1.800 . 5.000 2.568 1.799 3.635 0.001 17 0 "[ . 1 . 2]" 1
377 1 37 VAL MG2 1 65 ILE MD 1.800 . 5.000 2.782 1.866 4.396 . 0 0 "[ . 1 . 2]" 1
378 1 37 VAL MG2 1 65 ILE MG 1.800 . 5.500 2.967 2.058 4.443 . 0 0 "[ . 1 . 2]" 1
379 1 37 VAL MG2 1 67 ILE QG 1.800 . 5.500 4.342 2.947 5.494 . 0 0 "[ . 1 . 2]" 1
380 1 37 VAL H 1 37 VAL MG1 1.800 . 5.500 3.227 1.917 3.867 . 0 0 "[ . 1 . 2]" 1
381 1 37 VAL H 1 37 VAL MG2 1.800 . 5.500 2.757 1.829 3.860 . 0 0 "[ . 1 . 2]" 1
382 1 38 PRO HA 1 39 MET H 1.800 . 3.500 2.178 2.140 2.240 . 0 0 "[ . 1 . 2]" 1
383 1 38 PRO QB 1 40 LYS QG 1.800 . 5.000 3.622 2.522 5.064 0.064 3 0 "[ . 1 . 2]" 1
384 1 39 MET HA 1 47 LEU MD1 1.800 . 5.500 5.416 5.138 5.542 0.042 14 0 "[ . 1 . 2]" 1
385 1 39 MET QB 1 47 LEU MD1 1.800 . 5.500 4.545 3.706 5.337 . 0 0 "[ . 1 . 2]" 1
386 1 39 MET QB 1 69 TYR HH 1.800 . 5.000 3.243 1.785 5.015 0.015 2 0 "[ . 1 . 2]" 1
387 1 39 MET ME 1 47 LEU MD1 1.800 . 5.000 4.007 2.238 5.013 0.013 2 0 "[ . 1 . 2]" 1
388 1 39 MET ME 1 47 LEU MD2 1.800 . 5.000 2.836 1.887 3.709 . 0 0 "[ . 1 . 2]" 1
389 1 39 MET ME 1 50 TYR QD 1.800 . 5.000 3.898 2.769 5.022 0.022 7 0 "[ . 1 . 2]" 1
390 1 39 MET ME 1 50 TYR QE 1.800 . 5.000 3.044 1.789 4.497 0.011 11 0 "[ . 1 . 2]" 1
391 1 39 MET ME 1 54 ILE MD 1.800 . 5.500 3.089 1.891 4.454 . 0 0 "[ . 1 . 2]" 1
392 1 39 MET ME 1 54 ILE MG 1.800 . 5.500 4.049 2.096 5.516 0.016 12 0 "[ . 1 . 2]" 1
393 1 39 MET ME 1 67 ILE MD 1.800 . 5.000 3.874 2.449 5.001 0.001 2 0 "[ . 1 . 2]" 1
394 1 39 MET ME 1 67 ILE MG 1.800 . 5.500 3.977 2.032 5.393 . 0 0 "[ . 1 . 2]" 1
395 1 39 MET ME 1 39 MET QG 1.800 . 5.000 2.319 2.224 2.476 . 0 0 "[ . 1 . 2]" 1
396 1 40 LYS HA 1 41 LYS QB 1.800 . 5.500 4.134 3.982 4.473 . 0 0 "[ . 1 . 2]" 1
397 1 40 LYS HA 1 41 LYS H 1.800 . 3.500 2.225 2.118 2.482 . 0 0 "[ . 1 . 2]" 1
398 1 40 LYS QB 1 40 LYS QD 1.800 . 5.000 2.121 2.089 2.255 . 0 0 "[ . 1 . 2]" 1
399 1 40 LYS QB 1 42 ILE MD 1.800 . 5.500 3.550 2.222 4.837 . 0 0 "[ . 1 . 2]" 1
400 1 40 LYS QB 1 42 ILE QG 1.800 . 5.500 3.210 2.263 4.073 . 0 0 "[ . 1 . 2]" 1
401 1 40 LYS QD 1 41 LYS H 1.800 . 5.000 4.891 4.312 5.059 0.059 13 0 "[ . 1 . 2]" 1
402 1 40 LYS QG 1 41 LYS H 1.800 . 5.000 3.853 2.463 4.229 . 0 0 "[ . 1 . 2]" 1
403 1 41 LYS HA 1 42 ILE QG 1.800 . 5.500 3.680 3.188 3.934 . 0 0 "[ . 1 . 2]" 1
404 1 41 LYS HA 1 42 ILE H 1.800 . 3.500 2.168 2.102 2.241 . 0 0 "[ . 1 . 2]" 1
405 1 41 LYS QD 1 44 GLY H 1.800 . 5.000 4.827 4.391 5.057 0.057 11 0 "[ . 1 . 2]" 1
406 1 41 LYS QG 1 44 GLY QA 1.800 . 5.000 4.277 1.945 5.081 0.081 6 0 "[ . 1 . 2]" 1
407 1 41 LYS QG 1 44 GLY H 1.800 . 5.000 3.766 2.663 5.036 0.036 13 0 "[ . 1 . 2]" 1
408 1 41 LYS QG 1 45 TYR H 1.800 . 5.000 3.712 2.688 4.917 . 0 0 "[ . 1 . 2]" 1
409 1 41 LYS H 1 41 LYS QG 1.800 . 5.000 3.824 2.063 4.132 . 0 0 "[ . 1 . 2]" 1
410 1 42 ILE HA 1 42 ILE MD 1.800 . 5.500 3.519 2.021 3.907 . 0 0 "[ . 1 . 2]" 1
411 1 42 ILE HA 1 43 LYS H 1.800 . 2.900 2.268 2.125 2.554 . 0 0 "[ . 1 . 2]" 1
412 1 42 ILE HB 1 45 TYR QB 1.800 . 5.000 2.675 1.760 3.883 0.040 20 0 "[ . 1 . 2]" 1
413 1 42 ILE HB 1 45 TYR QD 1.800 . 5.000 2.953 1.801 4.659 . 0 0 "[ . 1 . 2]" 1
414 1 42 ILE HB 1 45 TYR H 1.800 . 5.000 4.232 3.677 5.027 0.027 7 0 "[ . 1 . 2]" 1
415 1 42 ILE MD 1 69 TYR QD 1.800 . 5.500 3.797 2.255 5.251 . 0 0 "[ . 1 . 2]" 1
416 1 42 ILE MD 1 69 TYR QE 1.800 . 5.500 3.800 2.655 5.511 0.011 13 0 "[ . 1 . 2]" 1
417 1 42 ILE QG 1 43 LYS H 1.800 . 5.500 4.271 4.076 4.811 . 0 0 "[ . 1 . 2]" 1
418 1 42 ILE MG 1 43 LYS QB 1.800 . 5.500 3.077 2.049 4.566 . 0 0 "[ . 1 . 2]" 1
419 1 42 ILE MG 1 43 LYS H 1.800 . 5.500 2.404 1.763 3.354 0.037 14 0 "[ . 1 . 2]" 1
420 1 42 ILE MG 1 45 TYR QB 1.800 . 5.500 3.853 2.967 4.725 . 0 0 "[ . 1 . 2]" 1
421 1 42 ILE MG 1 45 TYR QD 1.800 . 5.500 3.090 1.881 4.588 . 0 0 "[ . 1 . 2]" 1
422 1 42 ILE MG 1 45 TYR QE 1.800 . 5.000 3.328 2.400 5.013 0.013 7 0 "[ . 1 . 2]" 1
423 1 42 ILE MG 1 45 TYR H 1.800 . 5.500 4.713 3.942 5.400 . 0 0 "[ . 1 . 2]" 1
424 1 42 ILE H 1 42 ILE QG 1.800 . 5.500 2.140 1.880 2.573 . 0 0 "[ . 1 . 2]" 1
425 1 42 ILE H 1 45 TYR QD 1.800 . 5.000 4.487 3.461 5.008 0.008 9 0 "[ . 1 . 2]" 1
426 1 43 LYS HA 1 43 LYS QD 1.800 . 5.000 3.998 3.862 4.246 . 0 0 "[ . 1 . 2]" 1
427 1 43 LYS HA 1 44 GLY QA 1.800 . 5.500 3.935 3.842 4.129 . 0 0 "[ . 1 . 2]" 1
428 1 43 LYS HA 1 44 GLY H 1.800 . 2.900 2.501 2.096 3.008 0.108 13 0 "[ . 1 . 2]" 1
429 1 43 LYS HA 1 45 TYR H 1.800 . 5.000 4.423 3.667 5.041 0.041 1 0 "[ . 1 . 2]" 1
430 1 43 LYS QB 1 43 LYS QE 1.800 . 5.000 3.621 3.520 3.670 . 0 0 "[ . 1 . 2]" 1
431 1 43 LYS QG 1 44 GLY H 1.800 . 5.000 4.166 3.360 4.576 . 0 0 "[ . 1 . 2]" 1
432 1 43 LYS QG 1 45 TYR QE 1.800 . 5.000 4.688 3.542 5.024 0.024 2 0 "[ . 1 . 2]" 1
433 1 43 LYS H 1 43 LYS QB 1.800 . 3.500 2.729 2.198 3.380 . 0 0 "[ . 1 . 2]" 1
434 1 43 LYS H 1 43 LYS QD 1.800 . 5.000 4.360 3.764 5.007 0.007 19 0 "[ . 1 . 2]" 1
435 1 43 LYS H 1 43 LYS QG 1.800 . 5.000 3.014 1.888 4.037 . 0 0 "[ . 1 . 2]" 1
436 1 43 LYS H 1 44 GLY H 1.800 . 5.000 3.635 2.599 4.444 . 0 0 "[ . 1 . 2]" 1
437 1 44 GLY QA 1 72 LYS QD 1.800 . 5.000 3.492 2.020 4.459 . 0 0 "[ . 1 . 2]" 1
438 1 44 GLY H 1 45 TYR H 1.800 . 3.500 2.549 2.239 2.988 . 0 0 "[ . 1 . 2]" 1
439 1 44 GLY H 1 72 LYS QE 1.800 . 5.000 4.509 3.572 5.049 0.049 12 0 "[ . 1 . 2]" 1
440 1 45 TYR HA 1 45 TYR QD 1.800 . 5.000 2.659 1.804 3.104 . 0 0 "[ . 1 . 2]" 1
441 1 45 TYR HA 1 46 THR H 1.800 . 3.500 2.216 2.064 2.509 . 0 0 "[ . 1 . 2]" 1
442 1 45 TYR HA 1 71 LYS HA 1.800 . 5.000 2.886 2.053 4.305 . 0 0 "[ . 1 . 2]" 1
443 1 45 TYR HA 1 72 LYS QB 1.800 . 5.000 4.135 2.631 4.992 . 0 0 "[ . 1 . 2]" 1
444 1 45 TYR HA 1 72 LYS QG 1.800 . 5.000 3.178 2.395 4.997 . 0 0 "[ . 1 . 2]" 1
445 1 45 TYR HA 1 72 LYS H 1.800 . 3.500 2.960 2.036 3.513 0.013 3 0 "[ . 1 . 2]" 1
446 1 45 TYR QB 1 69 TYR QD 1.800 . 5.000 2.939 2.313 3.713 . 0 0 "[ . 1 . 2]" 1
447 1 45 TYR QD 1 46 THR H 1.800 . 5.000 3.824 3.251 4.348 . 0 0 "[ . 1 . 2]" 1
448 1 45 TYR QD 1 69 TYR QB 1.800 . 5.000 2.436 1.811 3.403 . 0 0 "[ . 1 . 2]" 1
449 1 45 TYR QD 1 71 LYS HA 1.800 . 5.000 2.978 2.150 3.600 . 0 0 "[ . 1 . 2]" 1
450 1 45 TYR QD 1 72 LYS H 1.800 . 5.000 4.068 2.559 5.034 0.034 4 0 "[ . 1 . 2]" 1
451 1 45 TYR QE 1 71 LYS HA 1.800 . 5.000 3.506 2.495 4.232 . 0 0 "[ . 1 . 2]" 1
452 1 45 TYR QE 1 71 LYS QB 1.800 . 5.000 3.257 2.023 4.519 . 0 0 "[ . 1 . 2]" 1
453 1 45 TYR QE 1 71 LYS QE 1.800 . 5.000 3.746 2.426 5.017 0.017 12 0 "[ . 1 . 2]" 1
454 1 45 TYR QE 1 71 LYS QG 1.800 . 5.000 2.942 1.768 4.553 0.032 14 0 "[ . 1 . 2]" 1
455 1 45 TYR QE 1 71 LYS H 1.800 . 5.000 4.185 3.614 5.007 0.007 14 0 "[ . 1 . 2]" 1
456 1 45 TYR H 1 45 TYR QD 1.800 . 5.000 3.030 2.082 3.757 . 0 0 "[ . 1 . 2]" 1
457 1 45 TYR H 1 72 LYS QD 1.800 . 5.000 4.543 2.911 5.035 0.035 1 0 "[ . 1 . 2]" 1
458 1 45 TYR H 1 72 LYS QE 1.800 . 5.000 4.070 2.773 5.015 0.015 12 0 "[ . 1 . 2]" 1
459 1 45 TYR H 1 72 LYS QG 1.800 . 5.000 4.391 3.622 5.027 0.027 18 0 "[ . 1 . 2]" 1
460 1 46 THR HA 1 47 LEU H 1.800 . 3.500 2.247 2.149 2.432 . 0 0 "[ . 1 . 2]" 1
461 1 46 THR HA 1 69 TYR QD 1.800 . 5.000 3.748 3.411 4.378 . 0 0 "[ . 1 . 2]" 1
462 1 46 THR HA 1 72 LYS QD 1.800 . 5.000 4.583 3.861 5.048 0.048 10 0 "[ . 1 . 2]" 1
463 1 46 THR HB 1 47 LEU H 1.800 . 5.000 4.060 3.566 4.406 . 0 0 "[ . 1 . 2]" 1
464 1 46 THR HB 1 70 GLN QB 1.800 . 5.000 3.253 1.938 4.834 . 0 0 "[ . 1 . 2]" 1
465 1 46 THR HB 1 70 GLN QG 1.800 . 5.000 4.326 2.252 5.011 0.011 18 0 "[ . 1 . 2]" 1
466 1 46 THR HB 1 70 GLN H 1.800 . 5.000 3.867 3.226 4.501 . 0 0 "[ . 1 . 2]" 1
467 1 46 THR HB 1 72 LYS QD 1.800 . 5.000 4.491 2.938 5.110 0.110 6 0 "[ . 1 . 2]" 1
468 1 46 THR MG 1 47 LEU H 1.800 . 5.500 2.524 1.978 2.903 . 0 0 "[ . 1 . 2]" 1
469 1 46 THR MG 1 70 GLN QB 1.800 . 5.500 4.036 2.743 5.512 0.012 4 0 "[ . 1 . 2]" 1
470 1 46 THR MG 1 70 GLN QG 1.800 . 5.500 5.055 3.318 5.520 0.020 5 0 "[ . 1 . 2]" 1
471 1 46 THR MG 1 70 GLN H 1.800 . 5.500 4.411 3.443 4.817 . 0 0 "[ . 1 . 2]" 1
472 1 46 THR MG 1 72 LYS HA 1.800 . 5.500 5.322 4.746 5.622 0.122 14 0 "[ . 1 . 2]" 1
473 1 46 THR H 1 46 THR MG 1.800 . 5.500 3.813 3.577 3.935 . 0 0 "[ . 1 . 2]" 1
474 1 46 THR H 1 69 TYR HA 1.800 . 5.000 4.639 3.728 5.029 0.029 9 0 "[ . 1 . 2]" 1
475 1 46 THR H 1 69 TYR QB 1.800 . 5.000 3.684 2.775 4.185 . 0 0 "[ . 1 . 2]" 1
476 1 46 THR H 1 69 TYR QD 1.800 . 5.000 4.068 3.586 4.581 . 0 0 "[ . 1 . 2]" 1
477 1 46 THR H 1 70 GLN H 1.800 . 5.000 3.107 2.577 3.636 . 0 0 "[ . 1 . 2]" 1
478 1 46 THR H 1 71 LYS HA 1.800 . 5.000 3.819 3.235 4.486 . 0 0 "[ . 1 . 2]" 1
479 1 46 THR H 1 72 LYS QG 1.800 . 5.000 3.582 2.299 4.808 . 0 0 "[ . 1 . 2]" 1
480 1 46 THR H 1 72 LYS H 1.800 . 5.000 3.847 3.279 4.341 . 0 0 "[ . 1 . 2]" 1
481 1 47 LEU HA 1 47 LEU MD1 1.800 . 5.500 2.049 1.954 2.203 . 0 0 "[ . 1 . 2]" 1
482 1 47 LEU HA 1 47 LEU MD2 1.800 . 5.500 3.874 3.840 3.920 . 0 0 "[ . 1 . 2]" 1
483 1 47 LEU HA 1 69 TYR HA 1.800 . 5.000 2.320 1.944 2.651 . 0 0 "[ . 1 . 2]" 1
484 1 47 LEU HA 1 70 GLN H 1.800 . 5.000 3.517 3.186 3.933 . 0 0 "[ . 1 . 2]" 1
485 1 47 LEU QB 1 47 LEU MD1 1.800 . 5.500 2.293 2.253 2.344 . 0 0 "[ . 1 . 2]" 1
486 1 47 LEU QB 1 47 LEU MD2 1.800 . 5.500 2.100 2.087 2.113 . 0 0 "[ . 1 . 2]" 1
487 1 47 LEU QB 1 49 LYS H 1.800 . 4.500 4.517 4.123 4.578 0.078 11 0 "[ . 1 . 2]" 1
488 1 47 LEU QB 1 69 TYR QE 1.800 . 5.000 2.914 2.116 4.654 . 0 0 "[ . 1 . 2]" 1
489 1 39 MET QG 1 47 LEU MD1 1.800 . 5.000 4.149 3.189 5.008 0.008 9 0 "[ . 1 . 2]" 1
490 1 47 LEU MD1 1 50 TYR QE 1.800 . 5.000 4.202 2.692 5.022 0.022 13 0 "[ . 1 . 2]" 1
491 1 47 LEU MD1 1 67 ILE MG 1.800 . 5.000 1.970 1.849 2.242 . 0 0 "[ . 1 . 2]" 1
492 1 47 LEU MD1 1 68 ILE H 1.800 . 5.500 2.999 2.631 3.290 . 0 0 "[ . 1 . 2]" 1
493 1 47 LEU MD1 1 69 TYR QE 1.800 . 5.500 3.033 2.329 4.086 . 0 0 "[ . 1 . 2]" 1
494 1 47 LEU MD1 1 69 TYR HH 1.800 . 5.500 3.886 2.677 4.978 . 0 0 "[ . 1 . 2]" 1
495 1 39 MET QG 1 47 LEU MD2 1.800 . 5.000 3.896 3.425 4.469 . 0 0 "[ . 1 . 2]" 1
496 1 47 LEU MD2 1 49 LYS HA 1.800 . 5.500 3.623 2.911 4.265 . 0 0 "[ . 1 . 2]" 1
497 1 47 LEU MD2 1 49 LYS H 1.800 . 5.500 4.197 3.942 4.549 . 0 0 "[ . 1 . 2]" 1
498 1 47 LEU MD2 1 50 TYR QB 1.800 . 5.500 3.613 2.122 4.547 . 0 0 "[ . 1 . 2]" 1
499 1 47 LEU MD2 1 50 TYR QD 1.800 . 5.000 2.326 1.794 3.473 0.006 1 0 "[ . 1 . 2]" 1
500 1 47 LEU MD2 1 50 TYR QE 1.800 . 5.500 2.871 2.035 3.932 . 0 0 "[ . 1 . 2]" 1
501 1 47 LEU MD2 1 50 TYR H 1.800 . 5.500 3.707 3.217 4.596 . 0 0 "[ . 1 . 2]" 1
502 1 47 LEU MD2 1 67 ILE MG 1.800 . 5.000 3.285 3.069 3.980 . 0 0 "[ . 1 . 2]" 1
503 1 47 LEU MD2 1 68 ILE H 1.800 . 5.000 5.019 4.861 5.063 0.063 6 0 "[ . 1 . 2]" 1
504 1 47 LEU HG 1 49 LYS HA 1.800 . 5.000 3.118 2.340 3.901 . 0 0 "[ . 1 . 2]" 1
505 1 47 LEU HG 1 49 LYS H 1.800 . 5.000 2.809 2.624 3.119 . 0 0 "[ . 1 . 2]" 1
506 1 47 LEU HG 1 50 TYR QD 1.800 . 5.000 4.092 3.304 5.045 0.045 7 0 "[ . 1 . 2]" 1
507 1 47 LEU HG 1 50 TYR H 1.800 . 5.000 4.232 3.663 4.881 . 0 0 "[ . 1 . 2]" 1
508 1 47 LEU H 1 47 LEU QB 1.800 . 3.500 2.263 2.207 2.319 . 0 0 "[ . 1 . 2]" 1
509 1 47 LEU H 1 47 LEU MD1 1.800 . 5.500 4.074 3.977 4.180 . 0 0 "[ . 1 . 2]" 1
510 1 47 LEU H 1 47 LEU MD2 1.800 . 5.500 4.290 4.208 4.356 . 0 0 "[ . 1 . 2]" 1
511 1 47 LEU H 1 47 LEU HG 1.800 . 5.000 4.500 4.425 4.548 . 0 0 "[ . 1 . 2]" 1
512 1 48 LEU HA 1 48 LEU MD1 1.800 . 4.000 2.181 2.007 3.714 . 0 0 "[ . 1 . 2]" 1
513 1 48 LEU HA 1 48 LEU MD2 1.800 . 5.500 3.851 3.024 3.953 . 0 0 "[ . 1 . 2]" 1
514 1 48 LEU QB 1 48 LEU MD1 1.800 . 5.500 2.285 2.077 2.329 . 0 0 "[ . 1 . 2]" 1
515 1 48 LEU QB 1 48 LEU MD2 1.800 . 5.500 2.101 2.083 2.245 . 0 0 "[ . 1 . 2]" 1
516 1 48 LEU QB 1 68 ILE HB 1.800 . 5.000 2.968 2.203 4.240 . 0 0 "[ . 1 . 2]" 1
517 1 48 LEU QB 1 68 ILE MG 1.800 . 5.500 2.566 2.220 3.872 . 0 0 "[ . 1 . 2]" 1
518 1 48 LEU QB 1 70 GLN QB 1.800 . 5.000 2.261 1.780 3.266 0.020 16 0 "[ . 1 . 2]" 1
519 1 48 LEU QB 1 70 GLN QG 1.800 . 5.000 3.804 2.503 4.870 . 0 0 "[ . 1 . 2]" 1
520 1 48 LEU QB 1 70 GLN H 1.800 . 5.000 3.427 2.588 4.059 . 0 0 "[ . 1 . 2]" 1
521 1 48 LEU MD1 1 70 GLN QB 1.800 . 5.500 2.628 2.042 3.869 . 0 0 "[ . 1 . 2]" 1
522 1 48 LEU MD1 1 70 GLN QE 1.800 . 5.500 3.293 2.141 4.819 . 0 0 "[ . 1 . 2]" 1
523 1 48 LEU MD1 1 70 GLN HG3 1.800 . 5.500 3.735 2.717 5.082 . 0 0 "[ . 1 . 2]" 1
524 1 48 LEU MD1 1 70 GLN HG2 1.800 . 5.500 4.151 2.953 5.141 . 0 0 "[ . 1 . 2]" 1
525 1 48 LEU MD1 1 70 GLN H 1.800 . 5.500 4.802 4.144 5.459 . 0 0 "[ . 1 . 2]" 1
526 1 48 LEU MD2 1 49 LYS QB 1.800 . 5.500 3.688 2.081 4.258 . 0 0 "[ . 1 . 2]" 1
527 1 48 LEU MD2 1 49 LYS H 1.800 . 5.500 3.912 2.800 4.244 . 0 0 "[ . 1 . 2]" 1
528 1 48 LEU MD2 1 68 ILE MD 1.800 . 5.500 3.346 2.632 4.557 . 0 0 "[ . 1 . 2]" 1
529 1 48 LEU MD2 1 70 GLN QB 1.800 . 5.000 3.244 2.510 4.311 . 0 0 "[ . 1 . 2]" 1
530 1 48 LEU MD2 1 70 GLN QE 1.800 . 5.500 4.311 2.155 5.520 0.020 12 0 "[ . 1 . 2]" 1
531 1 48 LEU HG 1 49 LYS QB 1.800 . 5.500 2.938 2.491 4.296 . 0 0 "[ . 1 . 2]" 1
532 1 49 LYS HA 1 50 TYR QD 1.800 . 5.500 4.245 3.426 5.530 0.030 17 0 "[ . 1 . 2]" 1
533 1 49 LYS HA 1 50 TYR H 1.800 . 3.500 2.277 2.136 2.419 . 0 0 "[ . 1 . 2]" 1
534 1 49 LYS H 1 68 ILE HB 1.800 . 5.000 3.297 2.813 3.865 . 0 0 "[ . 1 . 2]" 1
535 1 50 TYR HA 1 50 TYR QD 1.800 . 5.000 3.235 1.794 3.752 0.006 7 0 "[ . 1 . 2]" 1
536 1 50 TYR HA 1 67 ILE HA 1.800 . 5.000 3.441 2.031 4.883 . 0 0 "[ . 1 . 2]" 1
537 1 50 TYR HA 1 68 ILE MD 1.800 . 5.500 4.615 3.459 5.416 . 0 0 "[ . 1 . 2]" 1
538 1 50 TYR QB 1 54 ILE MD 1.800 . 5.000 4.337 2.925 5.052 0.052 20 0 "[ . 1 . 2]" 1
539 1 50 TYR QB 1 54 ILE MG 1.800 . 5.500 3.861 2.545 5.547 0.047 8 0 "[ . 1 . 2]" 1
540 1 50 TYR QD 1 51 ASP HA 1.800 . 5.500 5.009 3.890 5.641 0.141 10 0 "[ . 1 . 2]" 1
541 1 50 TYR QD 1 54 ILE MD 1.800 . 5.000 3.737 2.866 4.532 . 0 0 "[ . 1 . 2]" 1
542 1 50 TYR QD 1 54 ILE MG 1.800 . 5.500 3.419 2.278 5.310 . 0 0 "[ . 1 . 2]" 1
543 1 50 TYR QD 1 65 ILE MG 1.800 . 5.500 4.065 3.052 4.824 . 0 0 "[ . 1 . 2]" 1
544 1 50 TYR QD 1 67 ILE HA 1.800 . 5.000 4.135 2.574 5.022 0.022 12 0 "[ . 1 . 2]" 1
545 1 50 TYR QD 1 67 ILE MD 1.800 . 5.500 4.186 2.111 5.035 . 0 0 "[ . 1 . 2]" 1
546 1 50 TYR QD 1 67 ILE MG 1.800 . 5.500 3.652 2.275 4.432 . 0 0 "[ . 1 . 2]" 1
547 1 50 TYR QE 1 54 ILE MD 1.800 . 5.000 3.188 2.293 4.039 . 0 0 "[ . 1 . 2]" 1
548 1 50 TYR QE 1 65 ILE MG 1.800 . 5.500 4.652 2.252 5.592 0.092 8 0 "[ . 1 . 2]" 1
549 1 50 TYR H 1 50 TYR QD 1.800 . 5.000 2.957 1.988 4.143 . 0 0 "[ . 1 . 2]" 1
550 1 51 ASP QB 1 68 ILE MD 1.800 . 5.500 3.789 2.496 5.545 0.045 16 0 "[ . 1 . 2]" 1
551 1 52 SER HA 1 53 GLU QB 1.800 . 5.500 4.527 3.932 5.180 . 0 0 "[ . 1 . 2]" 1
552 1 52 SER HA 1 53 GLU H 1.800 . 3.500 2.504 2.139 3.517 0.017 16 0 "[ . 1 . 2]" 1
553 1 52 SER H 1 53 GLU H 1.800 . 5.000 4.238 2.673 4.612 . 0 0 "[ . 1 . 2]" 1
554 1 53 GLU HA 1 54 ILE H 1.800 . 3.500 2.216 2.115 2.657 . 0 0 "[ . 1 . 2]" 1
555 1 53 GLU QG 1 54 ILE H 1.800 . 5.000 3.869 2.183 4.652 . 0 0 "[ . 1 . 2]" 1
556 1 53 GLU H 1 53 GLU QG 1.800 . 5.000 2.756 2.109 4.077 . 0 0 "[ . 1 . 2]" 1
557 1 54 ILE HA 1 54 ILE MD 1.800 . 5.500 4.027 1.898 4.195 . 0 0 "[ . 1 . 2]" 1
558 1 54 ILE HA 1 65 ILE MG 1.800 . 5.500 3.929 2.611 4.603 . 0 0 "[ . 1 . 2]" 1
559 1 54 ILE MG 1 67 ILE MD 1.800 . 5.500 3.586 2.213 4.732 . 0 0 "[ . 1 . 2]" 1
560 1 54 ILE H 1 54 ILE MD 1.800 . 5.500 3.639 3.197 4.029 . 0 0 "[ . 1 . 2]" 1
561 1 54 ILE H 1 54 ILE QG 1.800 . 5.500 2.014 1.774 2.352 0.026 20 0 "[ . 1 . 2]" 1
562 1 57 VAL HB 1 58 PHE H 1.800 . 5.000 2.722 2.344 3.443 . 0 0 "[ . 1 . 2]" 1
563 1 57 VAL MG1 1 58 PHE H 1.800 . 5.500 3.722 3.615 3.874 . 0 0 "[ . 1 . 2]" 1
564 1 57 VAL MG2 1 58 PHE H 1.800 . 5.500 3.684 3.329 4.205 . 0 0 "[ . 1 . 2]" 1
565 1 57 VAL MG2 1 59 THR MG 1.800 . 5.000 3.256 2.031 4.853 . 0 0 "[ . 1 . 2]" 1
566 1 58 PHE HA 1 58 PHE QD 1.800 . 5.000 2.851 2.595 3.103 . 0 0 "[ . 1 . 2]" 1
567 1 58 PHE HA 1 63 GLN QE 1.800 . 5.000 4.188 2.952 5.034 0.034 1 0 "[ . 1 . 2]" 1
568 1 58 PHE H 1 58 PHE QD 1.800 . 5.000 2.432 1.948 2.804 . 0 0 "[ . 1 . 2]" 1
569 1 59 THR HB 1 60 GLU H 1.800 . 3.500 2.492 1.782 3.528 0.028 18 0 "[ . 1 . 2]" 1
570 1 59 THR HB 1 61 SER H 1.800 . 3.500 2.706 2.193 3.415 . 0 0 "[ . 1 . 2]" 1
571 1 59 THR MG 1 60 GLU H 1.800 . 5.500 2.870 1.775 3.591 0.025 13 0 "[ . 1 . 2]" 1
572 1 59 THR MG 1 61 SER H 1.800 . 5.500 3.693 2.119 4.586 . 0 0 "[ . 1 . 2]" 1
573 1 59 THR MG 1 63 GLN QE 1.800 . 5.000 3.318 2.136 4.681 . 0 0 "[ . 1 . 2]" 1
574 1 59 THR H 1 59 THR MG 1.800 . 5.500 3.175 2.479 4.009 . 0 0 "[ . 1 . 2]" 1
575 1 59 THR H 1 63 GLN QE 1.800 . 5.000 3.772 2.580 4.914 . 0 0 "[ . 1 . 2]" 1
576 1 60 GLU HA 1 61 SER H 1.800 . 3.500 3.283 2.729 3.532 0.032 8 0 "[ . 1 . 2]" 1
577 1 60 GLU QB 1 61 SER QB 1.800 . 5.500 4.364 3.559 5.250 . 0 0 "[ . 1 . 2]" 1
578 1 60 GLU QG 1 61 SER H 1.800 . 5.000 4.099 3.433 4.632 . 0 0 "[ . 1 . 2]" 1
579 1 60 GLU H 1 60 GLU QG 1.800 . 5.000 2.617 1.795 4.012 0.005 17 0 "[ . 1 . 2]" 1
580 1 60 GLU H 1 61 SER H 1.800 . 3.500 2.601 2.269 3.235 . 0 0 "[ . 1 . 2]" 1
581 1 61 SER HA 1 62 PRO QG 1.800 . 5.500 3.837 3.741 3.998 . 0 0 "[ . 1 . 2]" 1
582 1 61 SER QB 1 62 PRO QG 1.800 . 5.500 4.407 3.408 5.021 . 0 0 "[ . 1 . 2]" 1
583 1 62 PRO HA 1 63 GLN H 1.800 . 3.500 2.162 2.129 2.194 . 0 0 "[ . 1 . 2]" 1
584 1 63 GLN QG 1 64 THR H 1.800 . 5.000 3.556 2.345 4.484 . 0 0 "[ . 1 . 2]" 1
585 1 63 GLN H 1 63 GLN QG 1.800 . 5.000 3.040 2.042 4.034 . 0 0 "[ . 1 . 2]" 1
586 1 64 THR HA 1 65 ILE H 1.800 . 3.500 2.156 2.128 2.202 . 0 0 "[ . 1 . 2]" 1
587 1 64 THR HB 1 65 ILE H 1.800 . 5.000 4.282 4.142 4.403 . 0 0 "[ . 1 . 2]" 1
588 1 64 THR MG 1 65 ILE H 1.800 . 5.500 3.064 2.718 3.932 . 0 0 "[ . 1 . 2]" 1
589 1 64 THR MG 1 66 ASN QD 1.800 . 5.500 3.400 2.339 5.062 . 0 0 "[ . 1 . 2]" 1
590 1 64 THR MG 1 66 ASN H 1.800 . 5.500 3.786 3.170 4.314 . 0 0 "[ . 1 . 2]" 1
591 1 64 THR H 1 64 THR HB 1.800 . 3.500 2.676 2.531 3.168 . 0 0 "[ . 1 . 2]" 1
592 1 64 THR H 1 64 THR MG 1.800 . 5.500 3.762 2.209 3.915 . 0 0 "[ . 1 . 2]" 1
593 1 65 ILE HA 1 65 ILE MD 1.800 . 5.500 3.463 1.964 3.858 . 0 0 "[ . 1 . 2]" 1
594 1 65 ILE HA 1 66 ASN H 1.800 . 3.500 2.151 2.123 2.194 . 0 0 "[ . 1 . 2]" 1
595 1 65 ILE HB 1 66 ASN H 1.800 . 5.000 4.352 4.185 4.434 . 0 0 "[ . 1 . 2]" 1
596 1 65 ILE MD 1 66 ASN H 1.800 . 5.500 5.034 3.702 5.504 0.004 9 0 "[ . 1 . 2]" 1
597 1 65 ILE QG 1 66 ASN H 1.800 . 5.500 4.387 4.116 4.866 . 0 0 "[ . 1 . 2]" 1
598 1 65 ILE QG 1 67 ILE MD 1.800 . 5.000 4.868 4.487 5.038 0.038 11 0 "[ . 1 . 2]" 1
599 1 35 TYR QE 1 65 ILE MG 1.800 . 5.000 4.484 3.437 5.020 0.020 14 0 "[ . 1 . 2]" 1
600 1 65 ILE MG 1 66 ASN H 1.800 . 5.500 3.118 2.660 3.372 . 0 0 "[ . 1 . 2]" 1
601 1 65 ILE MG 1 67 ILE H 1.800 . 5.500 3.575 3.339 3.814 . 0 0 "[ . 1 . 2]" 1
602 1 65 ILE H 1 65 ILE MD 1.800 . 5.500 3.775 3.269 3.997 . 0 0 "[ . 1 . 2]" 1
603 1 65 ILE H 1 65 ILE QG 1.800 . 5.500 2.505 2.310 2.696 . 0 0 "[ . 1 . 2]" 1
604 1 66 ASN HA 1 67 ILE QG 1.800 . 5.500 3.925 3.591 4.165 . 0 0 "[ . 1 . 2]" 1
605 1 66 ASN HA 1 67 ILE H 1.800 . 3.500 2.173 2.112 2.250 . 0 0 "[ . 1 . 2]" 1
606 1 66 ASN QB 1 68 ILE MD 1.800 . 5.500 3.240 2.644 3.972 . 0 0 "[ . 1 . 2]" 1
607 1 66 ASN QB 1 68 ILE QG 1.800 . 5.500 2.902 2.399 3.541 . 0 0 "[ . 1 . 2]" 1
608 1 66 ASN QD 1 68 ILE MD 1.800 . 5.500 4.296 2.429 5.346 . 0 0 "[ . 1 . 2]" 1
609 1 66 ASN H 1 66 ASN QD 1.800 . 5.500 3.564 2.406 4.378 . 0 0 "[ . 1 . 2]" 1
610 1 67 ILE HA 1 67 ILE MD 1.800 . 5.500 3.385 2.011 3.890 . 0 0 "[ . 1 . 2]" 1
611 1 67 ILE HA 1 68 ILE HB 1.800 . 5.500 4.646 4.461 4.773 . 0 0 "[ . 1 . 2]" 1
612 1 67 ILE HA 1 68 ILE MD 1.800 . 5.500 5.052 4.837 5.222 . 0 0 "[ . 1 . 2]" 1
613 1 67 ILE HA 1 68 ILE H 1.800 . 3.500 2.173 2.143 2.257 . 0 0 "[ . 1 . 2]" 1
614 1 67 ILE HB 1 69 TYR QE 1.800 . 5.000 3.550 2.237 4.420 . 0 0 "[ . 1 . 2]" 1
615 1 67 ILE MD 1 69 TYR QE 1.800 . 5.500 4.177 3.277 5.183 . 0 0 "[ . 1 . 2]" 1
616 1 13 TYR QE 1 67 ILE MG 1.800 . 5.000 3.686 2.865 4.478 . 0 0 "[ . 1 . 2]" 1
617 1 67 ILE MG 1 68 ILE H 1.800 . 5.500 3.080 2.319 3.364 . 0 0 "[ . 1 . 2]" 1
618 1 67 ILE MG 1 69 TYR QD 1.800 . 5.000 3.362 2.845 3.620 . 0 0 "[ . 1 . 2]" 1
619 1 67 ILE MG 1 69 TYR QE 1.800 . 5.000 2.619 2.238 2.961 . 0 0 "[ . 1 . 2]" 1
620 1 67 ILE MG 1 69 TYR HH 1.800 . 5.500 3.055 1.942 3.768 . 0 0 "[ . 1 . 2]" 1
621 1 67 ILE H 1 67 ILE MD 1.800 . 5.000 3.733 3.420 3.950 . 0 0 "[ . 1 . 2]" 1
622 1 67 ILE H 1 67 ILE QG 1.800 . 5.000 2.410 2.189 2.610 . 0 0 "[ . 1 . 2]" 1
623 1 67 ILE H 1 68 ILE MD 1.800 . 6.000 5.689 5.480 5.943 . 0 0 "[ . 1 . 2]" 1
624 1 14 LEU MD2 1 68 ILE HA 1.800 . 5.000 4.954 4.723 5.063 0.063 6 0 "[ . 1 . 2]" 1
625 1 68 ILE HA 1 68 ILE MD 1.800 . 5.500 3.832 3.772 3.901 . 0 0 "[ . 1 . 2]" 1
626 1 68 ILE HA 1 69 TYR QD 1.800 . 5.500 4.123 3.387 4.797 . 0 0 "[ . 1 . 2]" 1
627 1 68 ILE HA 1 69 TYR H 1.800 . 3.500 2.130 2.095 2.214 . 0 0 "[ . 1 . 2]" 1
628 1 68 ILE HB 1 69 TYR H 1.800 . 5.000 4.250 4.022 4.370 . 0 0 "[ . 1 . 2]" 1
629 1 14 LEU MD1 1 68 ILE MD 1.800 . 5.000 2.984 2.464 3.566 . 0 0 "[ . 1 . 2]" 1
630 1 68 ILE MG 1 69 TYR QB 1.800 . 5.500 4.349 4.107 4.473 . 0 0 "[ . 1 . 2]" 1
631 1 68 ILE MG 1 69 TYR H 1.800 . 5.500 2.831 2.406 3.032 . 0 0 "[ . 1 . 2]" 1
632 1 68 ILE H 1 68 ILE MD 1.800 . 5.500 3.784 3.576 4.068 . 0 0 "[ . 1 . 2]" 1
633 1 69 TYR HA 1 69 TYR QD 1.800 . 5.000 2.716 2.134 3.055 . 0 0 "[ . 1 . 2]" 1
634 1 69 TYR HA 1 70 GLN H 1.800 . 3.500 2.247 2.087 2.602 . 0 0 "[ . 1 . 2]" 1
635 1 69 TYR H 1 69 TYR QD 1.800 . 5.000 2.981 2.448 3.709 . 0 0 "[ . 1 . 2]" 1
636 1 70 GLN HA 1 71 LYS QB 1.800 . 5.500 4.285 3.958 4.763 . 0 0 "[ . 1 . 2]" 1
637 1 70 GLN HA 1 71 LYS H 1.800 . 3.500 2.208 2.137 2.393 . 0 0 "[ . 1 . 2]" 1
638 1 70 GLN QG 1 71 LYS H 1.800 . 5.000 2.895 2.451 3.982 . 0 0 "[ . 1 . 2]" 1
639 1 70 GLN H 1 70 GLN QG 1.800 . 5.000 3.784 2.051 4.221 . 0 0 "[ . 1 . 2]" 1
640 1 71 LYS HA 1 71 LYS QD 1.800 . 5.000 4.007 3.592 4.518 . 0 0 "[ . 1 . 2]" 1
641 1 71 LYS HA 1 72 LYS QB 1.800 . 5.500 4.408 3.918 4.616 . 0 0 "[ . 1 . 2]" 1
642 1 71 LYS HA 1 72 LYS H 1.800 . 3.500 2.179 2.060 2.311 . 0 0 "[ . 1 . 2]" 1
643 1 71 LYS QG 1 72 LYS H 1.800 . 5.000 3.414 2.478 4.597 . 0 0 "[ . 1 . 2]" 1
644 1 71 LYS QG 1 73 ALA H 1.800 . 5.000 3.987 1.793 5.045 0.045 18 0 "[ . 1 . 2]" 1
645 1 71 LYS H 1 71 LYS QB 1.800 . 3.500 2.365 2.041 2.858 . 0 0 "[ . 1 . 2]" 1
646 1 71 LYS H 1 71 LYS QD 1.800 . 5.000 4.060 2.452 4.449 . 0 0 "[ . 1 . 2]" 1
647 1 71 LYS H 1 71 LYS QG 1.800 . 5.000 3.190 1.780 3.986 0.020 12 0 "[ . 1 . 2]" 1
648 1 71 LYS H 1 72 LYS H 1.800 . 5.000 4.501 4.323 4.628 . 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 26
_Distance_constraint_stats_list.Viol_count 12
_Distance_constraint_stats_list.Viol_total 5.014
_Distance_constraint_stats_list.Viol_max 0.061
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0209
_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 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.068 0.038 16 0 "[ . 1 . 2]"
1 12 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TYR 0.051 0.033 10 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ILE 0.051 0.033 10 0 "[ . 1 . 2]"
1 25 LEU 0.068 0.038 16 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 0.131 0.061 13 0 "[ . 1 . 2]"
1 63 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLN 0.131 0.061 13 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 9 VAL H 1 27 LEU O 1.600 . 2.300 1.891 1.711 2.208 . 0 0 "[ . 1 . 2]" 2
2 1 9 VAL N 1 27 LEU O 2.600 2.600 3.300 2.832 2.679 3.179 . 0 0 "[ . 1 . 2]" 2
3 1 10 THR H 1 63 GLN O 1.600 . 2.300 1.802 1.645 2.226 . 0 0 "[ . 1 . 2]" 2
4 1 10 THR N 1 63 GLN O 2.600 2.600 3.300 2.722 2.611 2.981 . 0 0 "[ . 1 . 2]" 2
5 1 11 VAL H 1 25 LEU O 1.600 . 2.300 1.849 1.662 2.307 0.007 5 0 "[ . 1 . 2]" 2
6 1 11 VAL N 1 25 LEU O 2.600 2.600 3.300 2.801 2.607 3.206 . 0 0 "[ . 1 . 2]" 2
7 1 12 ASN H 1 65 ILE O 1.600 . 2.300 1.897 1.741 2.129 . 0 0 "[ . 1 . 2]" 2
8 1 12 ASN N 1 65 ILE O 2.600 2.600 3.300 2.853 2.698 3.101 . 0 0 "[ . 1 . 2]" 2
9 1 14 LEU H 1 67 ILE O 1.600 . 2.300 1.770 1.688 1.936 . 0 0 "[ . 1 . 2]" 2
10 1 14 LEU N 1 67 ILE O 2.600 2.600 3.300 2.726 2.648 2.810 . 0 0 "[ . 1 . 2]" 2
11 1 13 TYR O 1 21 ILE H 1.600 . 2.300 2.144 1.953 2.333 0.033 10 0 "[ . 1 . 2]" 2
12 1 13 TYR O 1 21 ILE N 2.600 2.600 3.300 2.979 2.772 3.175 . 0 0 "[ . 1 . 2]" 2
13 1 11 VAL O 1 25 LEU H 1.600 . 2.300 2.003 1.764 2.338 0.038 16 0 "[ . 1 . 2]" 2
14 1 11 VAL O 1 25 LEU N 2.600 2.600 3.300 2.936 2.712 3.215 . 0 0 "[ . 1 . 2]" 2
15 1 9 VAL O 1 27 LEU H 1.600 . 2.300 1.824 1.679 1.997 . 0 0 "[ . 1 . 2]" 2
16 1 9 VAL O 1 27 LEU N 2.600 2.600 3.300 2.753 2.654 2.919 . 0 0 "[ . 1 . 2]" 2
17 1 46 THR H 1 70 GLN O 1.600 . 2.300 1.929 1.699 2.361 0.061 13 0 "[ . 1 . 2]" 2
18 1 46 THR N 1 70 GLN O 2.600 2.600 3.300 2.866 2.678 3.292 . 0 0 "[ . 1 . 2]" 2
19 1 10 THR O 1 65 ILE H 1.600 . 2.300 1.861 1.724 2.112 . 0 0 "[ . 1 . 2]" 2
20 1 10 THR O 1 65 ILE N 2.600 2.600 3.300 2.780 2.684 2.903 . 0 0 "[ . 1 . 2]" 2
21 1 12 ASN O 1 67 ILE H 1.600 . 2.300 1.936 1.807 2.084 . 0 0 "[ . 1 . 2]" 2
22 1 12 ASN O 1 67 ILE N 2.600 2.600 3.300 2.829 2.736 2.945 . 0 0 "[ . 1 . 2]" 2
23 1 14 LEU O 1 69 TYR H 1.600 . 2.300 1.789 1.678 1.982 . 0 0 "[ . 1 . 2]" 2
24 1 14 LEU O 1 69 TYR N 2.600 2.600 3.300 2.756 2.653 2.909 . 0 0 "[ . 1 . 2]" 2
25 1 46 THR O 1 70 GLN H 1.600 . 2.300 1.738 1.613 2.058 . 0 0 "[ . 1 . 2]" 2
26 1 46 THR O 1 70 GLN N 2.600 2.600 3.300 2.653 2.574 2.883 0.026 14 0 "[ . 1 . 2]" 2
stop_
save_
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