NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
444408 |
2khd   |
16238 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2khd
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 827
_Distance_constraint_stats_list.Viol_count 340
_Distance_constraint_stats_list.Viol_total 507.671
_Distance_constraint_stats_list.Viol_max 0.455
_Distance_constraint_stats_list.Viol_rms 0.0156
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0747
_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 5 THR 0.167 0.124 7 0 "[ . 1 . 2]"
1 6 CYS 0.167 0.124 7 0 "[ . 1 . 2]"
1 7 VAL 0.211 0.049 17 0 "[ . 1 . 2]"
1 8 GLU 0.477 0.199 6 0 "[ . 1 . 2]"
1 9 ASN 0.471 0.199 6 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 CYS 0.021 0.021 12 0 "[ . 1 . 2]"
1 13 GLU 0.051 0.028 2 0 "[ . 1 . 2]"
1 14 ALA 0.033 0.028 2 0 "[ . 1 . 2]"
1 15 CYS 0.025 0.021 16 0 "[ . 1 . 2]"
1 16 GLY 0.021 0.021 16 0 "[ . 1 . 2]"
1 17 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.029 0.017 3 0 "[ . 1 . 2]"
1 19 GLY 0.029 0.017 3 0 "[ . 1 . 2]"
1 20 GLU 0.037 0.021 15 0 "[ . 1 . 2]"
1 21 ILE 0.424 0.166 19 0 "[ . 1 . 2]"
1 22 GLY 0.458 0.183 20 0 "[ . 1 . 2]"
1 23 PHE 0.663 0.183 20 0 "[ . 1 . 2]"
1 24 ILE 2.103 0.455 10 0 "[ . 1 . 2]"
1 25 ILE 2.950 0.455 10 0 "[ . 1 . 2]"
1 26 ARG 0.450 0.331 20 0 "[ . 1 . 2]"
1 27 GLU 0.223 0.105 6 0 "[ . 1 . 2]"
1 28 GLY 0.183 0.168 6 0 "[ . 1 . 2]"
1 29 ASP 0.011 0.011 10 0 "[ . 1 . 2]"
1 30 ASP 0.111 0.095 13 0 "[ . 1 . 2]"
1 31 VAL 1.015 0.168 6 0 "[ . 1 . 2]"
1 32 ALA 0.059 0.059 12 0 "[ . 1 . 2]"
1 33 GLU 0.358 0.182 13 0 "[ . 1 . 2]"
1 34 VAL 0.628 0.182 13 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 1.049 0.214 10 0 "[ . 1 . 2]"
1 37 PHE 0.223 0.094 11 0 "[ . 1 . 2]"
1 38 GLY 0.133 0.072 1 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASP 0.062 0.042 18 0 "[ . 1 . 2]"
1 41 LYS 0.611 0.097 11 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 HIS 0.062 0.042 18 0 "[ . 1 . 2]"
1 44 LEU 0.358 0.207 14 0 "[ . 1 . 2]"
1 45 GLU 0.966 0.228 8 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.609 0.214 10 0 "[ . 1 . 2]"
1 48 LEU 1.306 0.345 9 0 "[ . 1 . 2]"
1 49 ALA 0.171 0.086 18 0 "[ . 1 . 2]"
1 50 GLU 0.500 0.322 9 0 "[ . 1 . 2]"
1 51 TYR 0.495 0.154 14 0 "[ . 1 . 2]"
1 52 ILE 0.836 0.345 9 0 "[ . 1 . 2]"
1 53 SER 0.192 0.192 14 0 "[ . 1 . 2]"
1 54 LEU 0.346 0.056 6 0 "[ . 1 . 2]"
1 55 ALA 0.022 0.012 2 0 "[ . 1 . 2]"
1 56 LYS 2.328 0.263 5 0 "[ . 1 . 2]"
1 57 GLN 0.306 0.229 13 0 "[ . 1 . 2]"
1 58 VAL 0.235 0.073 15 0 "[ . 1 . 2]"
1 59 TYR 0.355 0.188 17 0 "[ . 1 . 2]"
1 60 ALA 0.968 0.188 17 0 "[ . 1 . 2]"
1 61 ASN 0.623 0.144 6 0 "[ . 1 . 2]"
1 62 VAL 0.157 0.072 5 0 "[ . 1 . 2]"
1 63 GLU 0.133 0.078 6 0 "[ . 1 . 2]"
1 64 TYR 0.443 0.155 6 0 "[ . 1 . 2]"
1 65 GLU 0.755 0.170 4 0 "[ . 1 . 2]"
1 66 VAL 0.849 0.170 4 0 "[ . 1 . 2]"
1 67 ALA 0.555 0.086 17 0 "[ . 1 . 2]"
1 68 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 VAL 1.416 0.128 14 0 "[ . 1 . 2]"
1 70 ALA 0.616 0.221 15 0 "[ . 1 . 2]"
1 71 ASP 1.632 0.290 15 0 "[ . 1 . 2]"
1 72 ASN 0.944 0.290 15 0 "[ . 1 . 2]"
1 73 ALA 0.830 0.207 14 0 "[ . 1 . 2]"
1 74 THR 0.195 0.072 1 0 "[ . 1 . 2]"
1 75 GLU 0.170 0.094 11 0 "[ . 1 . 2]"
1 76 LEU 0.864 0.128 14 0 "[ . 1 . 2]"
1 77 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 0.164 0.164 7 0 "[ . 1 . 2]"
1 79 ARG 0.077 0.055 4 0 "[ . 1 . 2]"
1 80 PHE 0.107 0.043 18 0 "[ . 1 . 2]"
1 81 LYS 0.846 0.203 3 0 "[ . 1 . 2]"
1 82 PHE 0.151 0.046 5 0 "[ . 1 . 2]"
1 83 GLU 1.439 0.219 14 0 "[ . 1 . 2]"
1 84 VAL 1.513 0.219 14 0 "[ . 1 . 2]"
1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ALA 0.061 0.061 1 0 "[ . 1 . 2]"
1 87 GLU 0.704 0.120 15 0 "[ . 1 . 2]"
1 88 LYS 0.567 0.162 12 0 "[ . 1 . 2]"
1 89 LEU 0.589 0.162 12 0 "[ . 1 . 2]"
1 90 ILE 1.769 0.207 12 0 "[ . 1 . 2]"
1 91 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LEU 1.040 0.207 12 0 "[ . 1 . 2]"
1 94 LYS 0.529 0.174 2 0 "[ . 1 . 2]"
1 95 THR 0.443 0.063 5 0 "[ . 1 . 2]"
1 96 ARG 0.251 0.235 4 0 "[ . 1 . 2]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LEU 0.822 0.301 6 0 "[ . 1 . 2]"
1 99 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LEU 0.474 0.235 4 0 "[ . 1 . 2]"
1 102 GLU 0.018 0.015 14 0 "[ . 1 . 2]"
1 103 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 THR HA 1 5 THR MG 1.800 . 4.440 2.397 2.261 3.176 . 0 0 "[ . 1 . 2]" 1
2 1 5 THR HA 1 6 CYS H 1.800 . 3.710 2.746 2.159 3.572 . 0 0 "[ . 1 . 2]" 1
3 1 5 THR HB 1 6 CYS H 1.800 . 4.590 3.199 1.768 4.478 0.032 11 0 "[ . 1 . 2]" 1
4 1 5 THR MG 1 6 CYS H 1.800 . 4.140 3.411 1.839 4.264 0.124 7 0 "[ . 1 . 2]" 1
5 1 6 CYS HA 1 7 VAL H 1.800 . 3.600 2.610 2.148 3.568 . 0 0 "[ . 1 . 2]" 1
6 1 6 CYS QB 1 7 VAL H 1.800 . 4.610 3.268 2.127 4.063 . 0 0 "[ . 1 . 2]" 1
7 1 7 VAL HA 1 7 VAL MG1 1.800 . 4.500 2.549 2.251 3.207 . 0 0 "[ . 1 . 2]" 1
8 1 7 VAL HA 1 7 VAL MG2 1.800 . 4.500 2.598 2.261 3.209 . 0 0 "[ . 1 . 2]" 1
9 1 7 VAL HA 1 8 GLU H 1.800 . 3.600 2.498 2.138 3.565 . 0 0 "[ . 1 . 2]" 1
10 1 7 VAL HB 1 8 GLU H 1.800 . 4.950 3.680 2.467 4.305 . 0 0 "[ . 1 . 2]" 1
11 1 7 VAL MG1 1 8 GLU H 1.800 . 5.190 3.314 2.179 4.117 . 0 0 "[ . 1 . 2]" 1
12 1 7 VAL MG2 1 8 GLU H 1.800 . 5.190 3.746 2.477 4.227 . 0 0 "[ . 1 . 2]" 1
13 1 7 VAL H 1 7 VAL HB 1.800 . 4.150 2.939 2.420 3.706 . 0 0 "[ . 1 . 2]" 1
14 1 7 VAL H 1 7 VAL QG 1.800 . 4.330 2.085 1.751 2.685 0.049 17 0 "[ . 1 . 2]" 1
15 1 7 VAL H 1 7 VAL MG1 1.800 . 5.030 2.931 1.794 3.822 0.006 18 0 "[ . 1 . 2]" 1
16 1 7 VAL H 1 7 VAL MG2 1.800 . 5.030 2.581 1.782 3.941 0.018 3 0 "[ . 1 . 2]" 1
17 1 8 GLU HA 1 9 ASN H 1.800 . 3.600 2.595 2.135 3.572 . 0 0 "[ . 1 . 2]" 1
18 1 8 GLU QB 1 9 ASN H 1.800 . 3.810 3.186 1.801 4.009 0.199 6 0 "[ . 1 . 2]" 1
19 1 8 GLU H 1 8 GLU QB 1.800 . 3.470 2.673 2.251 3.350 . 0 0 "[ . 1 . 2]" 1
20 1 8 GLU H 1 8 GLU QG 1.800 . 5.140 3.204 1.794 4.416 0.006 9 0 "[ . 1 . 2]" 1
21 1 9 ASN HA 1 10 GLU H 1.800 . 3.600 2.983 2.141 3.575 . 0 0 "[ . 1 . 2]" 1
22 1 9 ASN H 1 9 ASN QB 1.800 . 3.840 2.647 2.287 3.290 . 0 0 "[ . 1 . 2]" 1
23 1 10 GLU HA 1 11 VAL H 1.800 . 3.600 2.631 2.152 3.566 . 0 0 "[ . 1 . 2]" 1
24 1 10 GLU H 1 10 GLU QB 1.800 . 3.920 2.720 2.210 3.275 . 0 0 "[ . 1 . 2]" 1
25 1 10 GLU H 1 10 GLU QG 1.800 . 4.940 3.165 2.023 4.416 . 0 0 "[ . 1 . 2]" 1
26 1 11 VAL HA 1 12 CYS H 1.800 . 3.600 2.474 2.133 3.583 . 0 0 "[ . 1 . 2]" 1
27 1 11 VAL HB 1 12 CYS H 1.800 . 4.660 3.808 1.967 4.414 . 0 0 "[ . 1 . 2]" 1
28 1 11 VAL MG1 1 12 CYS H 1.800 . 5.300 3.404 2.321 4.309 . 0 0 "[ . 1 . 2]" 1
29 1 11 VAL MG2 1 12 CYS H 1.800 . 5.300 3.651 2.481 4.355 . 0 0 "[ . 1 . 2]" 1
30 1 11 VAL H 1 11 VAL HB 1.800 . 4.080 3.062 2.385 3.771 . 0 0 "[ . 1 . 2]" 1
31 1 12 CYS HA 1 13 GLU H 1.800 . 3.640 2.490 2.145 3.564 . 0 0 "[ . 1 . 2]" 1
32 1 12 CYS QB 1 13 GLU H 1.800 . 4.610 3.277 1.779 4.050 0.021 12 0 "[ . 1 . 2]" 1
33 1 13 GLU HA 1 14 ALA H 1.800 . 3.840 2.729 2.116 3.561 . 0 0 "[ . 1 . 2]" 1
34 1 13 GLU HB3 1 14 ALA H 1.800 . 4.980 3.579 1.772 4.460 0.028 2 0 "[ . 1 . 2]" 1
35 1 13 GLU HB2 1 14 ALA H 1.800 . 4.980 3.935 1.804 4.662 . 0 0 "[ . 1 . 2]" 1
36 1 13 GLU H 1 13 GLU QB 1.800 . 3.710 2.737 2.248 3.319 . 0 0 "[ . 1 . 2]" 1
37 1 13 GLU H 1 13 GLU QG 1.800 . 4.960 3.208 2.126 4.386 . 0 0 "[ . 1 . 2]" 1
38 1 14 ALA HA 1 15 CYS H 1.800 . 3.720 2.770 2.142 3.575 . 0 0 "[ . 1 . 2]" 1
39 1 14 ALA MB 1 15 CYS H 1.800 . 4.380 3.003 1.797 3.667 0.003 16 0 "[ . 1 . 2]" 1
40 1 15 CYS HA 1 16 GLY H 1.800 . 3.880 2.814 2.151 3.579 . 0 0 "[ . 1 . 2]" 1
41 1 15 CYS H 1 16 GLY H 1.800 . 4.600 3.700 2.341 4.621 0.021 16 0 "[ . 1 . 2]" 1
42 1 17 CYS H 1 18 ALA H 1.800 . 5.400 3.658 2.584 4.655 . 0 0 "[ . 1 . 2]" 1
43 1 18 ALA HA 1 19 GLY H 1.800 . 3.630 2.627 2.171 3.543 . 0 0 "[ . 1 . 2]" 1
44 1 18 ALA MB 1 19 GLY H 1.800 . 4.460 2.941 1.783 3.733 0.017 3 0 "[ . 1 . 2]" 1
45 1 18 ALA H 1 19 GLY H 1.800 . 4.680 3.878 2.429 4.692 0.012 2 0 "[ . 1 . 2]" 1
46 1 20 GLU HA 1 21 ILE H 1.800 . 3.530 2.632 2.127 3.551 0.021 15 0 "[ . 1 . 2]" 1
47 1 20 GLU H 1 20 GLU QB 1.800 . 3.510 2.627 2.248 3.319 . 0 0 "[ . 1 . 2]" 1
48 1 20 GLU H 1 20 GLU QG 1.800 . 5.040 3.151 1.783 4.356 0.017 12 0 "[ . 1 . 2]" 1
49 1 21 ILE HA 1 22 GLY H 1.800 . 3.860 2.803 2.135 3.570 . 0 0 "[ . 1 . 2]" 1
50 1 21 ILE HB 1 22 GLY H 1.800 . 4.890 3.455 1.764 4.404 0.036 8 0 "[ . 1 . 2]" 1
51 1 21 ILE MD 1 22 GLY H 1.800 . 5.320 4.532 2.294 5.144 . 0 0 "[ . 1 . 2]" 1
52 1 21 ILE MG 1 22 GLY H 1.800 . 4.850 3.414 2.249 4.230 . 0 0 "[ . 1 . 2]" 1
53 1 21 ILE H 1 21 ILE HB 1.800 . 4.140 2.976 2.417 3.658 . 0 0 "[ . 1 . 2]" 1
54 1 21 ILE H 1 21 ILE QG 1.800 . 3.900 2.491 1.824 4.066 0.166 19 0 "[ . 1 . 2]" 1
55 1 21 ILE H 1 21 ILE MG 1.800 . 4.630 3.137 1.878 4.039 . 0 0 "[ . 1 . 2]" 1
56 1 22 GLY H 1 23 PHE H 1.800 . 4.420 3.967 2.373 4.603 0.183 20 0 "[ . 1 . 2]" 1
57 1 23 PHE HA 1 23 PHE QD 1.800 . 4.290 2.761 2.304 3.721 . 0 0 "[ . 1 . 2]" 1
58 1 23 PHE QE 1 67 ALA MB 1.800 . 5.000 4.491 2.869 5.079 0.079 6 0 "[ . 1 . 2]" 1
59 1 23 PHE H 1 23 PHE QB 1.800 . 3.720 2.505 2.256 2.947 . 0 0 "[ . 1 . 2]" 1
60 1 23 PHE H 1 23 PHE QD 1.800 . 4.500 3.209 2.064 4.500 . 0 0 "[ . 1 . 2]" 1
61 1 24 ILE HA 1 24 ILE MD 1.800 . 4.640 3.535 2.081 4.148 . 0 0 "[ . 1 . 2]" 1
62 1 24 ILE QG 1 24 ILE MG 1.800 . 3.300 2.227 2.117 2.290 . 0 0 "[ . 1 . 2]" 1
63 1 24 ILE MG 1 25 ILE HA 1.800 . 5.100 4.286 3.164 5.555 0.455 10 0 "[ . 1 . 2]" 1
64 1 24 ILE MG 1 25 ILE H 1.800 . 5.000 3.186 1.919 4.020 . 0 0 "[ . 1 . 2]" 1
65 1 25 ILE HA 1 25 ILE MD 1.800 . 5.370 3.770 2.081 4.141 . 0 0 "[ . 1 . 2]" 1
66 1 25 ILE MD 1 64 TYR HA 1.800 . 4.640 3.833 2.912 4.671 0.031 15 0 "[ . 1 . 2]" 1
67 1 25 ILE MD 1 64 TYR H 1.800 . 4.920 4.727 4.154 5.075 0.155 6 0 "[ . 1 . 2]" 1
68 1 25 ILE MD 1 65 GLU QB 1.800 . 3.990 3.005 2.229 3.720 . 0 0 "[ . 1 . 2]" 1
69 1 25 ILE MD 1 65 GLU H 1.800 . 5.250 4.207 2.798 5.202 . 0 0 "[ . 1 . 2]" 1
70 1 25 ILE MD 1 81 LYS QB 1.800 . 4.650 3.516 2.436 4.679 0.029 5 0 "[ . 1 . 2]" 1
71 1 25 ILE HG13 1 25 ILE MG 1.800 . 4.390 3.147 2.273 3.224 . 0 0 "[ . 1 . 2]" 1
72 1 25 ILE HG12 1 25 ILE MG 1.800 . 4.390 2.371 2.164 3.192 . 0 0 "[ . 1 . 2]" 1
73 1 25 ILE MG 1 81 LYS HB3 1.800 . 5.000 4.762 3.547 5.203 0.203 3 0 "[ . 1 . 2]" 1
74 1 25 ILE MG 1 81 LYS HB2 1.800 . 5.000 3.725 2.563 5.053 0.053 4 0 "[ . 1 . 2]" 1
75 1 25 ILE MG 1 81 LYS QG 1.800 . 4.860 3.910 2.333 4.714 . 0 0 "[ . 1 . 2]" 1
76 1 25 ILE H 1 25 ILE MD 1.800 . 5.160 3.701 2.780 4.394 . 0 0 "[ . 1 . 2]" 1
77 1 25 ILE H 1 25 ILE QG 1.800 . 4.890 2.343 1.902 2.964 . 0 0 "[ . 1 . 2]" 1
78 1 26 ARG HA 1 26 ARG QD 1.800 . 5.100 3.847 2.214 4.500 . 0 0 "[ . 1 . 2]" 1
79 1 26 ARG H 1 26 ARG HD3 1.800 . 6.050 5.048 3.941 6.381 0.331 20 0 "[ . 1 . 2]" 1
80 1 26 ARG H 1 26 ARG HD2 1.800 . 6.050 5.019 3.884 6.120 0.070 15 0 "[ . 1 . 2]" 1
81 1 27 GLU HA 1 31 VAL HB 1.800 . 4.400 3.654 2.509 4.448 0.048 6 0 "[ . 1 . 2]" 1
82 1 27 GLU HA 1 31 VAL MG1 1.800 . 5.350 3.524 2.517 5.375 0.025 5 0 "[ . 1 . 2]" 1
83 1 27 GLU HA 1 31 VAL MG2 1.800 . 5.350 3.610 2.085 5.455 0.105 6 0 "[ . 1 . 2]" 1
84 1 27 GLU QG 1 28 GLY H 1.800 . 4.600 3.933 2.445 4.602 0.002 2 0 "[ . 1 . 2]" 1
85 1 28 GLY QA 1 31 VAL MG1 1.800 . 5.620 4.672 2.116 5.563 . 0 0 "[ . 1 . 2]" 1
86 1 28 GLY H 1 31 VAL HB 1.800 . 4.300 3.175 1.843 4.468 0.168 6 0 "[ . 1 . 2]" 1
87 1 28 GLY H 1 31 VAL MG1 1.800 . 5.210 3.750 3.012 4.717 . 0 0 "[ . 1 . 2]" 1
88 1 29 ASP QB 1 30 ASP H 1.800 . 4.130 3.132 1.789 4.037 0.011 10 0 "[ . 1 . 2]" 1
89 1 30 ASP H 1 31 VAL H 1.800 . 4.080 2.874 1.866 4.175 0.095 13 0 "[ . 1 . 2]" 1
90 1 31 VAL HA 1 31 VAL MG1 1.800 . 4.280 2.585 2.236 3.204 . 0 0 "[ . 1 . 2]" 1
91 1 31 VAL HA 1 31 VAL MG2 1.800 . 3.860 2.302 2.236 2.436 . 0 0 "[ . 1 . 2]" 1
92 1 31 VAL HA 1 32 ALA H 1.800 . 3.770 2.220 2.148 2.398 . 0 0 "[ . 1 . 2]" 1
93 1 31 VAL HA 1 81 LYS HA 1.800 . 4.480 2.377 2.202 2.637 . 0 0 "[ . 1 . 2]" 1
94 1 31 VAL HA 1 82 PHE H 1.800 . 4.890 3.292 2.592 3.974 . 0 0 "[ . 1 . 2]" 1
95 1 31 VAL HB 1 32 ALA H 1.800 . 4.850 4.113 3.540 4.247 . 0 0 "[ . 1 . 2]" 1
96 1 31 VAL MG1 1 32 ALA H 1.800 . 4.510 2.641 1.937 3.644 . 0 0 "[ . 1 . 2]" 1
97 1 31 VAL MG1 1 33 GLU H 1.800 . 5.320 4.597 4.309 4.924 . 0 0 "[ . 1 . 2]" 1
98 1 31 VAL MG1 1 79 ARG QG 1.800 . 4.730 3.570 1.953 4.785 0.055 4 0 "[ . 1 . 2]" 1
99 1 31 VAL MG1 1 80 PHE H 1.800 . 5.030 3.681 2.820 5.058 0.028 4 0 "[ . 1 . 2]" 1
100 1 31 VAL MG1 1 81 LYS HA 1.800 . 5.350 3.963 2.685 4.985 . 0 0 "[ . 1 . 2]" 1
101 1 31 VAL MG1 1 81 LYS QB 1.800 . 5.870 4.478 3.153 5.921 0.051 6 0 "[ . 1 . 2]" 1
102 1 31 VAL MG2 1 32 ALA H 1.800 . 4.840 3.398 1.939 3.934 . 0 0 "[ . 1 . 2]" 1
103 1 31 VAL MG2 1 81 LYS HA 1.800 . 3.630 3.079 2.344 3.606 . 0 0 "[ . 1 . 2]" 1
104 1 31 VAL MG2 1 81 LYS QB 1.800 . 4.500 3.247 2.105 4.285 . 0 0 "[ . 1 . 2]" 1
105 1 31 VAL MG2 1 81 LYS QD 1.800 . 4.100 3.634 2.261 4.133 0.033 12 0 "[ . 1 . 2]" 1
106 1 31 VAL MG2 1 81 LYS HE3 1.800 . 6.050 4.894 2.693 6.216 0.166 11 0 "[ . 1 . 2]" 1
107 1 31 VAL MG2 1 81 LYS HE2 1.800 . 6.050 4.711 2.196 6.071 0.021 12 0 "[ . 1 . 2]" 1
108 1 31 VAL MG2 1 81 LYS QG 1.800 . 3.870 2.944 2.040 3.861 . 0 0 "[ . 1 . 2]" 1
109 1 31 VAL H 1 31 VAL HB 1.800 . 4.000 2.662 2.504 3.035 . 0 0 "[ . 1 . 2]" 1
110 1 31 VAL H 1 31 VAL MG1 1.800 . 4.920 3.408 1.983 3.912 . 0 0 "[ . 1 . 2]" 1
111 1 31 VAL H 1 31 VAL MG2 1.800 . 4.430 3.137 2.528 3.952 . 0 0 "[ . 1 . 2]" 1
112 1 32 ALA HA 1 33 GLU H 1.800 . 3.270 2.268 2.177 2.355 . 0 0 "[ . 1 . 2]" 1
113 1 32 ALA HA 1 88 LYS QE 1.800 . 4.820 2.981 2.242 4.064 . 0 0 "[ . 1 . 2]" 1
114 1 32 ALA HA 1 88 LYS HE3 1.800 . 5.640 3.497 2.294 5.699 0.059 12 0 "[ . 1 . 2]" 1
115 1 32 ALA HA 1 88 LYS HE2 1.800 . 5.640 3.854 2.290 5.398 . 0 0 "[ . 1 . 2]" 1
116 1 32 ALA MB 1 33 GLU H 1.800 . 3.930 2.720 2.536 2.942 . 0 0 "[ . 1 . 2]" 1
117 1 32 ALA MB 1 80 PHE QB 1.800 . 3.970 2.786 2.285 3.723 . 0 0 "[ . 1 . 2]" 1
118 1 32 ALA MB 1 80 PHE H 1.800 . 4.910 3.350 2.873 3.907 . 0 0 "[ . 1 . 2]" 1
119 1 32 ALA MB 1 81 LYS HA 1.800 . 5.010 4.569 4.082 4.962 . 0 0 "[ . 1 . 2]" 1
120 1 32 ALA MB 1 82 PHE QE 1.800 . 3.940 2.552 2.232 3.529 . 0 0 "[ . 1 . 2]" 1
121 1 32 ALA MB 1 88 LYS QE 1.800 . 4.640 2.524 1.986 3.473 . 0 0 "[ . 1 . 2]" 1
122 1 32 ALA MB 1 88 LYS HE3 1.800 . 5.480 2.947 2.185 4.446 . 0 0 "[ . 1 . 2]" 1
123 1 32 ALA MB 1 88 LYS HE2 1.800 . 5.480 3.249 2.186 3.994 . 0 0 "[ . 1 . 2]" 1
124 1 32 ALA MB 1 88 LYS HG3 1.800 . 3.990 2.312 2.045 3.833 . 0 0 "[ . 1 . 2]" 1
125 1 32 ALA MB 1 88 LYS HG2 1.800 . 3.990 3.232 2.138 3.710 . 0 0 "[ . 1 . 2]" 1
126 1 32 ALA MB 1 88 LYS H 1.800 . 5.760 4.930 4.238 5.548 . 0 0 "[ . 1 . 2]" 1
127 1 32 ALA H 1 80 PHE H 1.800 . 4.880 2.981 2.540 3.634 . 0 0 "[ . 1 . 2]" 1
128 1 32 ALA H 1 81 LYS HA 1.800 . 4.790 3.434 2.757 3.793 . 0 0 "[ . 1 . 2]" 1
129 1 32 ALA H 1 81 LYS QB 1.800 . 5.870 5.036 4.124 5.537 . 0 0 "[ . 1 . 2]" 1
130 1 32 ALA H 1 82 PHE QD 1.800 . 5.320 3.794 3.266 4.326 . 0 0 "[ . 1 . 2]" 1
131 1 33 GLU HA 1 34 VAL H 1.800 . 3.500 2.193 2.119 2.271 . 0 0 "[ . 1 . 2]" 1
132 1 33 GLU HA 1 79 ARG HA 1.800 . 5.000 2.720 2.285 3.230 . 0 0 "[ . 1 . 2]" 1
133 1 33 GLU HA 1 80 PHE H 1.800 . 5.000 3.835 3.143 4.299 . 0 0 "[ . 1 . 2]" 1
134 1 33 GLU QG 1 34 VAL H 1.800 . 4.300 3.614 2.272 4.482 0.182 13 0 "[ . 1 . 2]" 1
135 1 33 GLU H 1 33 GLU HB3 1.800 . 4.050 3.127 2.524 3.717 . 0 0 "[ . 1 . 2]" 1
136 1 33 GLU H 1 33 GLU HB2 1.800 . 4.050 2.871 2.366 3.682 . 0 0 "[ . 1 . 2]" 1
137 1 33 GLU H 1 33 GLU QG 1.800 . 4.550 2.946 1.781 4.102 0.019 17 0 "[ . 1 . 2]" 1
138 1 33 GLU H 1 88 LYS QE 1.800 . 5.150 3.081 1.886 4.694 . 0 0 "[ . 1 . 2]" 1
139 1 33 GLU H 1 88 LYS HE3 1.800 . 6.050 3.573 1.898 5.402 . 0 0 "[ . 1 . 2]" 1
140 1 33 GLU H 1 88 LYS HE2 1.800 . 6.050 3.878 2.125 5.332 . 0 0 "[ . 1 . 2]" 1
141 1 33 GLU H 1 88 LYS QG 1.800 . 4.940 4.373 3.371 4.954 0.014 20 0 "[ . 1 . 2]" 1
142 1 34 VAL HA 1 34 VAL MG1 1.800 . 4.300 2.399 2.325 2.423 . 0 0 "[ . 1 . 2]" 1
143 1 34 VAL HA 1 34 VAL MG2 1.800 . 4.300 2.283 2.233 2.360 . 0 0 "[ . 1 . 2]" 1
144 1 34 VAL HA 1 35 SER HB3 1.800 . 6.050 4.912 4.484 5.708 . 0 0 "[ . 1 . 2]" 1
145 1 34 VAL HA 1 35 SER HB2 1.800 . 6.050 4.930 4.326 5.709 . 0 0 "[ . 1 . 2]" 1
146 1 34 VAL HA 1 35 SER H 1.800 . 3.730 2.169 2.130 2.215 . 0 0 "[ . 1 . 2]" 1
147 1 34 VAL HA 1 51 TYR QD 1.800 . 5.680 5.463 4.374 5.834 0.154 14 0 "[ . 1 . 2]" 1
148 1 34 VAL HB 1 35 SER H 1.800 . 5.010 4.219 4.187 4.254 . 0 0 "[ . 1 . 2]" 1
149 1 34 VAL HB 1 78 ALA MB 1.800 . 4.110 2.690 2.306 3.418 . 0 0 "[ . 1 . 2]" 1
150 1 34 VAL HB 1 80 PHE QE 1.800 . 4.660 2.603 2.349 2.873 . 0 0 "[ . 1 . 2]" 1
151 1 34 VAL QG 1 35 SER H 1.800 . 4.460 2.468 2.410 2.632 . 0 0 "[ . 1 . 2]" 1
152 1 34 VAL QG 1 51 TYR QD 1.800 . 3.920 2.284 2.008 2.561 . 0 0 "[ . 1 . 2]" 1
153 1 34 VAL QG 1 51 TYR QE 1.800 . 4.510 2.664 2.101 3.523 . 0 0 "[ . 1 . 2]" 1
154 1 34 VAL QG 1 78 ALA MB 1.800 . 3.840 2.900 2.464 3.295 . 0 0 "[ . 1 . 2]" 1
155 1 34 VAL QG 1 80 PHE QD 1.800 . 4.060 2.194 2.077 2.695 . 0 0 "[ . 1 . 2]" 1
156 1 34 VAL QG 1 80 PHE QE 1.800 . 3.990 2.429 2.165 2.814 . 0 0 "[ . 1 . 2]" 1
157 1 34 VAL MG1 1 51 TYR QD 1.800 . 4.640 2.369 2.197 2.737 . 0 0 "[ . 1 . 2]" 1
158 1 34 VAL MG1 1 80 PHE QD 1.800 . 4.950 3.874 3.194 4.451 . 0 0 "[ . 1 . 2]" 1
159 1 34 VAL MG1 1 80 PHE QE 1.800 . 4.980 2.854 2.432 3.408 . 0 0 "[ . 1 . 2]" 1
160 1 34 VAL MG2 1 51 TYR QD 1.800 . 4.640 3.326 2.156 4.031 . 0 0 "[ . 1 . 2]" 1
161 1 34 VAL MG2 1 80 PHE QD 1.800 . 4.950 2.210 2.085 2.760 . 0 0 "[ . 1 . 2]" 1
162 1 34 VAL MG2 1 80 PHE QE 1.800 . 4.980 2.728 2.266 3.442 . 0 0 "[ . 1 . 2]" 1
163 1 34 VAL H 1 34 VAL HB 1.800 . 3.960 2.582 2.542 2.622 . 0 0 "[ . 1 . 2]" 1
164 1 34 VAL H 1 34 VAL QG 1.800 . 3.840 2.864 2.693 2.949 . 0 0 "[ . 1 . 2]" 1
165 1 34 VAL H 1 34 VAL MG1 1.800 . 4.770 3.810 3.791 3.828 . 0 0 "[ . 1 . 2]" 1
166 1 34 VAL H 1 34 VAL MG2 1.800 . 4.770 2.961 2.752 3.069 . 0 0 "[ . 1 . 2]" 1
167 1 34 VAL H 1 78 ALA H 1.800 . 5.000 3.437 2.999 4.116 . 0 0 "[ . 1 . 2]" 1
168 1 34 VAL H 1 79 ARG HA 1.800 . 4.440 3.018 2.518 3.433 . 0 0 "[ . 1 . 2]" 1
169 1 35 SER HA 1 36 LEU H 1.800 . 3.810 2.173 2.118 2.235 . 0 0 "[ . 1 . 2]" 1
170 1 35 SER HA 1 77 HIS HA 1.800 . 4.390 3.132 2.355 3.484 . 0 0 "[ . 1 . 2]" 1
171 1 35 SER HA 1 78 ALA H 1.800 . 5.000 3.708 3.187 4.164 . 0 0 "[ . 1 . 2]" 1
172 1 35 SER QB 1 36 LEU H 1.800 . 4.590 3.395 2.938 3.905 . 0 0 "[ . 1 . 2]" 1
173 1 36 LEU HA 1 36 LEU MD1 1.800 . 4.160 2.581 2.072 3.845 . 0 0 "[ . 1 . 2]" 1
174 1 36 LEU QB 1 36 LEU MD2 1.800 . 3.600 2.126 2.088 2.231 . 0 0 "[ . 1 . 2]" 1
175 1 36 LEU QB 1 76 LEU H 1.800 . 4.690 3.403 2.635 4.034 . 0 0 "[ . 1 . 2]" 1
176 1 36 LEU MD1 1 37 PHE H 1.800 . 4.850 3.038 1.797 4.880 0.030 9 0 "[ . 1 . 2]" 1
177 1 36 LEU MD1 1 47 LYS QB 1.800 . 4.610 3.316 2.130 4.824 0.214 10 0 "[ . 1 . 2]" 1
178 1 36 LEU MD1 1 47 LYS QG 1.800 . 5.390 4.514 3.597 5.445 0.055 9 0 "[ . 1 . 2]" 1
179 1 36 LEU MD1 1 48 LEU H 1.800 . 5.940 5.059 2.530 6.034 0.094 11 0 "[ . 1 . 2]" 1
180 1 36 LEU MD1 1 51 TYR QD 1.800 . 5.250 4.156 2.957 5.084 . 0 0 "[ . 1 . 2]" 1
181 1 36 LEU MD1 1 51 TYR QE 1.800 . 4.180 3.201 2.463 4.187 0.007 16 0 "[ . 1 . 2]" 1
182 1 36 LEU MD2 1 44 LEU HA 1.800 . 5.000 3.340 2.286 4.891 . 0 0 "[ . 1 . 2]" 1
183 1 36 LEU MD2 1 47 LYS QB 1.800 . 3.940 2.244 1.968 2.793 . 0 0 "[ . 1 . 2]" 1
184 1 36 LEU MD2 1 47 LYS QG 1.800 . 5.010 3.549 2.195 4.607 . 0 0 "[ . 1 . 2]" 1
185 1 36 LEU MD2 1 47 LYS H 1.800 . 5.180 4.417 3.901 5.238 0.058 16 0 "[ . 1 . 2]" 1
186 1 36 LEU MD2 1 48 LEU HA 1.800 . 5.000 3.406 2.180 4.161 . 0 0 "[ . 1 . 2]" 1
187 1 36 LEU MD2 1 48 LEU QB 1.800 . 4.680 3.781 2.728 4.534 . 0 0 "[ . 1 . 2]" 1
188 1 36 LEU MD2 1 48 LEU H 1.800 . 4.370 3.773 3.108 4.404 0.034 15 0 "[ . 1 . 2]" 1
189 1 36 LEU HG 1 37 PHE H 1.800 . 4.960 3.355 2.367 4.964 0.004 6 0 "[ . 1 . 2]" 1
190 1 36 LEU H 1 36 LEU QB 1.800 . 3.900 2.515 2.354 2.630 . 0 0 "[ . 1 . 2]" 1
191 1 36 LEU H 1 36 LEU MD1 1.800 . 5.190 3.924 2.374 4.328 . 0 0 "[ . 1 . 2]" 1
192 1 36 LEU H 1 36 LEU MD2 1.800 . 5.740 4.362 3.580 4.577 . 0 0 "[ . 1 . 2]" 1
193 1 36 LEU H 1 76 LEU MD2 1.800 . 5.030 3.850 2.864 4.511 . 0 0 "[ . 1 . 2]" 1
194 1 36 LEU H 1 76 LEU H 1.800 . 4.160 2.836 2.429 3.493 . 0 0 "[ . 1 . 2]" 1
195 1 36 LEU H 1 77 HIS HA 1.800 . 5.410 4.203 3.090 4.593 . 0 0 "[ . 1 . 2]" 1
196 1 37 PHE HA 1 37 PHE QD 1.800 . 4.800 2.831 2.518 3.721 . 0 0 "[ . 1 . 2]" 1
197 1 37 PHE HA 1 38 GLY H 1.800 . 3.830 2.234 2.130 2.342 . 0 0 "[ . 1 . 2]" 1
198 1 37 PHE HA 1 44 LEU MD2 1.800 . 4.800 2.937 2.233 3.688 . 0 0 "[ . 1 . 2]" 1
199 1 37 PHE HA 1 75 GLU HA 1.800 . 4.000 2.509 2.278 2.882 . 0 0 "[ . 1 . 2]" 1
200 1 37 PHE HA 1 75 GLU QB 1.800 . 5.070 3.479 2.647 4.369 . 0 0 "[ . 1 . 2]" 1
201 1 37 PHE HA 1 76 LEU H 1.800 . 4.270 3.892 3.468 4.286 0.016 16 0 "[ . 1 . 2]" 1
202 1 37 PHE QB 1 38 GLY H 1.800 . 4.280 3.054 2.525 3.749 . 0 0 "[ . 1 . 2]" 1
203 1 37 PHE QD 1 75 GLU QB 1.800 . 4.420 3.320 2.357 4.514 0.094 11 0 "[ . 1 . 2]" 1
204 1 38 GLY HA3 1 44 LEU MD2 1.800 . 5.160 2.570 2.127 4.739 . 0 0 "[ . 1 . 2]" 1
205 1 38 GLY HA2 1 44 LEU MD2 1.800 . 5.160 3.737 3.396 5.111 . 0 0 "[ . 1 . 2]" 1
206 1 38 GLY H 1 44 LEU MD1 1.800 . 5.290 3.558 2.948 4.297 . 0 0 "[ . 1 . 2]" 1
207 1 38 GLY H 1 44 LEU MD2 1.800 . 4.170 2.750 2.291 4.196 0.026 8 0 "[ . 1 . 2]" 1
208 1 38 GLY H 1 74 THR HB 1.800 . 4.730 4.071 3.565 4.802 0.072 1 0 "[ . 1 . 2]" 1
209 1 38 GLY H 1 75 GLU HA 1.800 . 5.080 3.425 2.977 3.943 . 0 0 "[ . 1 . 2]" 1
210 1 39 SER HB3 1 40 ASP H 1.800 . 5.740 2.937 1.857 3.905 . 0 0 "[ . 1 . 2]" 1
211 1 39 SER HB2 1 40 ASP H 1.800 . 5.740 2.792 1.872 4.070 . 0 0 "[ . 1 . 2]" 1
212 1 40 ASP HA 1 41 LYS H 1.800 . 3.840 2.475 2.286 2.711 . 0 0 "[ . 1 . 2]" 1
213 1 40 ASP QB 1 41 LYS H 1.800 . 4.310 2.517 1.913 3.434 . 0 0 "[ . 1 . 2]" 1
214 1 40 ASP QB 1 42 ALA H 1.800 . 4.580 3.020 2.582 3.374 . 0 0 "[ . 1 . 2]" 1
215 1 40 ASP H 1 43 HIS HB3 1.800 . 4.590 3.612 2.781 4.632 0.042 18 0 "[ . 1 . 2]" 1
216 1 40 ASP H 1 43 HIS HB2 1.800 . 4.590 3.467 2.373 4.162 . 0 0 "[ . 1 . 2]" 1
217 1 41 LYS HA 1 41 LYS QD 1.800 . 5.030 3.705 2.104 4.179 . 0 0 "[ . 1 . 2]" 1
218 1 41 LYS HA 1 44 LEU QB 1.800 . 4.830 2.626 2.342 3.089 . 0 0 "[ . 1 . 2]" 1
219 1 41 LYS HA 1 44 LEU MD1 1.800 . 4.030 2.287 2.128 2.472 . 0 0 "[ . 1 . 2]" 1
220 1 41 LYS HA 1 69 VAL MG1 1.800 . 5.760 3.896 3.219 5.728 . 0 0 "[ . 1 . 2]" 1
221 1 41 LYS HA 1 69 VAL MG2 1.800 . 6.050 5.741 4.736 6.147 0.097 11 0 "[ . 1 . 2]" 1
222 1 41 LYS QB 1 41 LYS QE 1.800 . 5.090 3.372 2.107 3.824 . 0 0 "[ . 1 . 2]" 1
223 1 41 LYS QB 1 42 ALA H 1.800 . 3.870 2.539 2.414 2.710 . 0 0 "[ . 1 . 2]" 1
224 1 41 LYS HB3 1 71 ASP HA 1.800 . 4.420 2.886 2.311 3.670 . 0 0 "[ . 1 . 2]" 1
225 1 41 LYS HB2 1 71 ASP HA 1.800 . 4.420 2.390 2.297 2.700 . 0 0 "[ . 1 . 2]" 1
226 1 41 LYS QD 1 69 VAL MG1 1.800 . 5.030 2.766 2.130 4.060 . 0 0 "[ . 1 . 2]" 1
227 1 41 LYS QD 1 71 ASP HA 1.800 . 4.580 2.871 2.107 4.652 0.072 16 0 "[ . 1 . 2]" 1
228 1 41 LYS QE 1 69 VAL HB 1.800 . 4.380 2.407 2.275 2.699 . 0 0 "[ . 1 . 2]" 1
229 1 41 LYS QE 1 69 VAL MG1 1.800 . 3.670 2.707 2.144 3.759 0.089 14 0 "[ . 1 . 2]" 1
230 1 41 LYS HE3 1 69 VAL HB 1.800 . 5.210 2.877 2.326 4.042 . 0 0 "[ . 1 . 2]" 1
231 1 41 LYS HE3 1 69 VAL MG1 1.800 . 4.330 3.120 2.214 4.375 0.045 14 0 "[ . 1 . 2]" 1
232 1 41 LYS HE3 1 69 VAL MG2 1.800 . 6.050 3.944 2.315 5.109 . 0 0 "[ . 1 . 2]" 1
233 1 41 LYS HE3 1 69 VAL H 1.800 . 6.050 4.534 1.940 5.878 . 0 0 "[ . 1 . 2]" 1
234 1 41 LYS HE2 1 69 VAL HB 1.800 . 5.210 3.326 2.333 4.347 . 0 0 "[ . 1 . 2]" 1
235 1 41 LYS HE2 1 69 VAL MG1 1.800 . 4.330 3.507 2.253 4.408 0.078 8 0 "[ . 1 . 2]" 1
236 1 41 LYS HE2 1 69 VAL MG2 1.800 . 6.050 4.253 2.802 5.415 . 0 0 "[ . 1 . 2]" 1
237 1 41 LYS HE2 1 69 VAL H 1.800 . 6.050 5.145 2.966 6.095 0.045 20 0 "[ . 1 . 2]" 1
238 1 41 LYS QE 1 41 LYS QG 1.800 . 3.560 2.191 2.122 2.364 . 0 0 "[ . 1 . 2]" 1
239 1 42 ALA HA 1 45 GLU QB 1.800 . 4.250 2.797 2.326 3.141 . 0 0 "[ . 1 . 2]" 1
240 1 42 ALA HA 1 45 GLU H 1.800 . 4.620 3.570 3.422 3.771 . 0 0 "[ . 1 . 2]" 1
241 1 42 ALA MB 1 43 HIS H 1.800 . 4.480 2.442 2.292 2.519 . 0 0 "[ . 1 . 2]" 1
242 1 42 ALA MB 1 45 GLU H 1.800 . 6.050 4.659 4.554 4.778 . 0 0 "[ . 1 . 2]" 1
243 1 42 ALA H 1 42 ALA MB 1.800 . 3.230 2.234 2.187 2.257 . 0 0 "[ . 1 . 2]" 1
244 1 43 HIS HA 1 46 GLY H 1.800 . 4.700 3.500 3.138 3.591 . 0 0 "[ . 1 . 2]" 1
245 1 43 HIS HB3 1 44 LEU H 1.800 . 4.840 2.735 2.445 3.585 . 0 0 "[ . 1 . 2]" 1
246 1 43 HIS HB2 1 44 LEU H 1.800 . 4.840 3.593 2.580 3.927 . 0 0 "[ . 1 . 2]" 1
247 1 44 LEU HA 1 44 LEU MD2 1.800 . 3.670 2.160 2.108 2.236 . 0 0 "[ . 1 . 2]" 1
248 1 44 LEU HA 1 47 LYS H 1.800 . 4.460 3.540 3.345 3.729 . 0 0 "[ . 1 . 2]" 1
249 1 44 LEU QB 1 44 LEU MD2 1.800 . 3.430 2.212 2.164 2.257 . 0 0 "[ . 1 . 2]" 1
250 1 44 LEU QB 1 45 GLU H 1.800 . 3.860 2.537 2.465 2.580 . 0 0 "[ . 1 . 2]" 1
251 1 44 LEU QB 1 76 LEU QB 1.800 . 4.950 2.430 2.142 2.878 . 0 0 "[ . 1 . 2]" 1
252 1 44 LEU QB 1 76 LEU MD1 1.800 . 3.480 2.547 2.115 2.903 . 0 0 "[ . 1 . 2]" 1
253 1 44 LEU HB3 1 44 LEU MD1 1.800 . 4.090 2.466 2.369 2.554 . 0 0 "[ . 1 . 2]" 1
254 1 44 LEU HB2 1 44 LEU MD1 1.800 . 4.090 2.282 2.244 2.343 . 0 0 "[ . 1 . 2]" 1
255 1 44 LEU MD1 1 45 GLU H 1.800 . 4.850 4.450 4.351 4.517 . 0 0 "[ . 1 . 2]" 1
256 1 44 LEU MD1 1 69 VAL MG1 1.800 . 4.180 3.195 2.611 4.278 0.098 14 0 "[ . 1 . 2]" 1
257 1 44 LEU MD1 1 69 VAL MG2 1.800 . 4.760 4.269 3.820 4.787 0.027 8 0 "[ . 1 . 2]" 1
258 1 44 LEU MD1 1 73 ALA MB 1.800 . 4.370 3.350 2.652 4.577 0.207 14 0 "[ . 1 . 2]" 1
259 1 44 LEU MD1 1 74 THR HA 1.800 . 4.520 3.257 2.863 3.814 . 0 0 "[ . 1 . 2]" 1
260 1 44 LEU MD1 1 75 GLU HA 1.800 . 5.120 2.743 2.037 3.538 . 0 0 "[ . 1 . 2]" 1
261 1 44 LEU MD1 1 75 GLU H 1.800 . 4.350 3.075 2.734 3.834 . 0 0 "[ . 1 . 2]" 1
262 1 44 LEU MD1 1 76 LEU HB3 1.800 . 4.480 3.381 2.707 3.947 . 0 0 "[ . 1 . 2]" 1
263 1 44 LEU MD1 1 76 LEU HB2 1.800 . 4.480 2.259 2.067 2.510 . 0 0 "[ . 1 . 2]" 1
264 1 44 LEU MD2 1 45 GLU H 1.800 . 5.180 4.673 4.495 4.780 . 0 0 "[ . 1 . 2]" 1
265 1 44 LEU MD2 1 74 THR HA 1.800 . 5.540 4.504 3.932 5.136 . 0 0 "[ . 1 . 2]" 1
266 1 44 LEU MD2 1 75 GLU HA 1.800 . 4.420 3.022 2.401 3.962 . 0 0 "[ . 1 . 2]" 1
267 1 44 LEU MD2 1 76 LEU H 1.800 . 4.730 3.483 2.873 4.251 . 0 0 "[ . 1 . 2]" 1
268 1 44 LEU H 1 44 LEU MD1 1.800 . 4.930 3.449 3.281 3.562 . 0 0 "[ . 1 . 2]" 1
269 1 44 LEU H 1 44 LEU MD2 1.800 . 5.030 3.470 2.902 3.962 . 0 0 "[ . 1 . 2]" 1
270 1 44 LEU H 1 44 LEU HG 1.800 . 4.510 2.222 1.827 2.623 . 0 0 "[ . 1 . 2]" 1
271 1 44 LEU H 1 45 GLU H 1.800 . 4.250 2.671 2.499 2.732 . 0 0 "[ . 1 . 2]" 1
272 1 45 GLU HA 1 45 GLU QG 1.800 . 3.530 2.472 2.314 2.834 . 0 0 "[ . 1 . 2]" 1
273 1 45 GLU HA 1 48 LEU QB 1.800 . 3.810 2.316 2.067 2.537 . 0 0 "[ . 1 . 2]" 1
274 1 45 GLU HA 1 48 LEU H 1.800 . 4.530 3.363 3.121 3.515 . 0 0 "[ . 1 . 2]" 1
275 1 45 GLU QB 1 46 GLY H 1.800 . 3.880 2.588 2.467 2.751 . 0 0 "[ . 1 . 2]" 1
276 1 45 GLU QG 1 76 LEU MD1 1.800 . 5.030 3.419 2.617 4.497 . 0 0 "[ . 1 . 2]" 1
277 1 45 GLU H 1 45 GLU QB 1.800 . 3.560 2.356 2.094 2.441 . 0 0 "[ . 1 . 2]" 1
278 1 45 GLU H 1 45 GLU HG3 1.800 . 3.890 2.841 2.207 4.118 0.228 8 0 "[ . 1 . 2]" 1
279 1 45 GLU H 1 45 GLU HG2 1.800 . 3.890 3.201 2.152 4.019 0.129 8 0 "[ . 1 . 2]" 1
280 1 45 GLU H 1 46 GLY H 1.800 . 3.880 2.683 2.572 2.772 . 0 0 "[ . 1 . 2]" 1
281 1 45 GLU H 1 48 LEU QB 1.800 . 5.870 4.417 4.192 4.788 . 0 0 "[ . 1 . 2]" 1
282 1 45 GLU H 1 76 LEU MD1 1.800 . 5.040 4.231 3.422 4.833 . 0 0 "[ . 1 . 2]" 1
283 1 45 GLU H 1 76 LEU MD2 1.800 . 6.000 5.605 4.609 6.117 0.117 7 0 "[ . 1 . 2]" 1
284 1 46 GLY QA 1 49 ALA H 1.800 . 5.000 3.639 3.432 3.881 . 0 0 "[ . 1 . 2]" 1
285 1 46 GLY H 1 47 LYS H 1.800 . 3.850 2.750 2.698 2.885 . 0 0 "[ . 1 . 2]" 1
286 1 47 LYS HA 1 50 GLU QG 1.800 . 4.930 3.432 2.648 4.777 . 0 0 "[ . 1 . 2]" 1
287 1 47 LYS HA 1 50 GLU H 1.800 . 4.750 3.518 3.317 3.889 . 0 0 "[ . 1 . 2]" 1
288 1 47 LYS H 1 47 LYS QB 1.800 . 3.380 2.337 2.219 2.461 . 0 0 "[ . 1 . 2]" 1
289 1 47 LYS H 1 47 LYS QG 1.800 . 4.000 2.621 2.221 4.069 0.069 4 0 "[ . 1 . 2]" 1
290 1 47 LYS H 1 48 LEU QB 1.800 . 5.350 4.283 4.114 4.384 . 0 0 "[ . 1 . 2]" 1
291 1 47 LYS H 1 48 LEU H 1.800 . 3.810 2.524 2.340 2.621 . 0 0 "[ . 1 . 2]" 1
292 1 48 LEU HA 1 48 LEU MD1 1.800 . 3.590 2.139 2.084 2.333 . 0 0 "[ . 1 . 2]" 1
293 1 48 LEU HA 1 51 TYR QD 1.800 . 4.370 3.187 2.281 3.877 . 0 0 "[ . 1 . 2]" 1
294 1 48 LEU HA 1 51 TYR H 1.800 . 5.000 3.252 3.062 3.365 . 0 0 "[ . 1 . 2]" 1
295 1 48 LEU HA 1 52 ILE H 1.800 . 4.640 4.330 4.000 4.674 0.034 8 0 "[ . 1 . 2]" 1
296 1 48 LEU QB 1 48 LEU MD1 1.800 . 3.560 2.245 2.185 2.293 . 0 0 "[ . 1 . 2]" 1
297 1 48 LEU QB 1 49 ALA H 1.800 . 3.690 2.575 2.450 2.744 . 0 0 "[ . 1 . 2]" 1
298 1 48 LEU QB 1 76 LEU MD2 1.800 . 5.370 3.070 2.497 3.925 . 0 0 "[ . 1 . 2]" 1
299 1 48 LEU HB3 1 48 LEU MD2 1.800 . 4.070 2.435 2.277 3.212 . 0 0 "[ . 1 . 2]" 1
300 1 48 LEU HB2 1 48 LEU MD2 1.800 . 4.070 2.371 2.253 2.465 . 0 0 "[ . 1 . 2]" 1
301 1 48 LEU MD1 1 49 ALA H 1.800 . 5.640 4.405 3.528 4.700 . 0 0 "[ . 1 . 2]" 1
302 1 48 LEU MD1 1 51 TYR QB 1.800 . 4.160 2.308 2.241 2.753 . 0 0 "[ . 1 . 2]" 1
303 1 48 LEU MD1 1 51 TYR QD 1.800 . 5.220 3.614 2.636 4.395 . 0 0 "[ . 1 . 2]" 1
304 1 48 LEU MD1 1 52 ILE H 1.800 . 5.130 3.704 3.118 4.235 . 0 0 "[ . 1 . 2]" 1
305 1 48 LEU MD1 1 78 ALA MB 1.800 . 3.450 3.016 2.510 3.614 0.164 7 0 "[ . 1 . 2]" 1
306 1 48 LEU MD1 1 80 PHE QE 1.800 . 5.070 3.502 2.908 3.941 . 0 0 "[ . 1 . 2]" 1
307 1 48 LEU MD1 1 80 PHE HZ 1.800 . 4.400 2.921 2.114 3.559 . 0 0 "[ . 1 . 2]" 1
308 1 48 LEU MD2 1 52 ILE MD 1.800 . 3.790 3.032 2.374 4.135 0.345 9 0 "[ . 1 . 2]" 1
309 1 48 LEU MD2 1 52 ILE QG 1.800 . 4.100 3.790 3.343 4.308 0.208 7 0 "[ . 1 . 2]" 1
310 1 48 LEU H 1 48 LEU QB 1.800 . 3.420 2.254 2.163 2.282 . 0 0 "[ . 1 . 2]" 1
311 1 48 LEU H 1 48 LEU MD1 1.800 . 4.580 4.022 3.926 4.201 . 0 0 "[ . 1 . 2]" 1
312 1 48 LEU H 1 48 LEU MD2 1.800 . 5.040 4.220 3.493 4.317 . 0 0 "[ . 1 . 2]" 1
313 1 48 LEU H 1 49 ALA MB 1.800 . 4.750 4.350 4.243 4.447 . 0 0 "[ . 1 . 2]" 1
314 1 48 LEU H 1 49 ALA H 1.800 . 4.020 2.706 2.612 2.814 . 0 0 "[ . 1 . 2]" 1
315 1 49 ALA HA 1 52 ILE HB 1.800 . 4.150 3.039 2.775 3.398 . 0 0 "[ . 1 . 2]" 1
316 1 49 ALA HA 1 52 ILE MD 1.800 . 4.300 2.887 2.301 4.386 0.086 18 0 "[ . 1 . 2]" 1
317 1 49 ALA HA 1 52 ILE H 1.800 . 4.890 3.605 3.440 3.896 . 0 0 "[ . 1 . 2]" 1
318 1 49 ALA MB 1 50 GLU QG 1.800 . 4.990 3.416 3.039 5.015 0.025 9 0 "[ . 1 . 2]" 1
319 1 49 ALA MB 1 50 GLU H 1.800 . 3.740 2.568 2.434 2.754 . 0 0 "[ . 1 . 2]" 1
320 1 49 ALA H 1 49 ALA MB 1.800 . 3.180 2.226 2.194 2.251 . 0 0 "[ . 1 . 2]" 1
321 1 49 ALA H 1 50 GLU H 1.800 . 3.790 2.782 2.688 2.930 . 0 0 "[ . 1 . 2]" 1
322 1 49 ALA H 1 52 ILE MD 1.800 . 5.900 4.623 4.169 5.789 . 0 0 "[ . 1 . 2]" 1
323 1 50 GLU QB 1 51 TYR QD 1.800 . 4.640 2.712 2.453 4.382 . 0 0 "[ . 1 . 2]" 1
324 1 50 GLU QB 1 51 TYR H 1.800 . 3.990 2.583 2.451 3.333 . 0 0 "[ . 1 . 2]" 1
325 1 50 GLU QB 1 98 LEU MD1 1.800 . 4.870 2.790 2.299 3.710 . 0 0 "[ . 1 . 2]" 1
326 1 50 GLU QB 1 98 LEU MD2 1.800 . 4.990 3.779 2.509 4.668 . 0 0 "[ . 1 . 2]" 1
327 1 50 GLU QG 1 51 TYR QD 1.800 . 5.480 4.375 2.242 4.868 . 0 0 "[ . 1 . 2]" 1
328 1 50 GLU QG 1 51 TYR H 1.800 . 4.990 3.975 1.741 4.436 0.059 8 0 "[ . 1 . 2]" 1
329 1 50 GLU QG 1 98 LEU MD1 1.800 . 5.160 3.749 2.920 4.488 . 0 0 "[ . 1 . 2]" 1
330 1 50 GLU QG 1 98 LEU MD2 1.800 . 4.960 4.322 2.836 4.967 0.007 3 0 "[ . 1 . 2]" 1
331 1 50 GLU H 1 50 GLU QB 1.800 . 3.410 2.385 2.252 2.442 . 0 0 "[ . 1 . 2]" 1
332 1 50 GLU H 1 50 GLU QG 1.800 . 3.620 2.447 2.106 3.942 0.322 9 0 "[ . 1 . 2]" 1
333 1 50 GLU H 1 51 TYR H 1.800 . 3.810 2.607 2.540 2.691 . 0 0 "[ . 1 . 2]" 1
334 1 50 GLU H 1 98 LEU MD1 1.800 . 6.050 5.637 5.125 6.109 0.059 14 0 "[ . 1 . 2]" 1
335 1 51 TYR HA 1 51 TYR QD 1.800 . 5.010 2.861 2.441 3.079 . 0 0 "[ . 1 . 2]" 1
336 1 51 TYR HA 1 54 LEU HB3 1.800 . 6.050 4.432 2.812 4.898 . 0 0 "[ . 1 . 2]" 1
337 1 51 TYR HA 1 54 LEU HB2 1.800 . 6.050 3.107 2.691 3.737 . 0 0 "[ . 1 . 2]" 1
338 1 51 TYR HA 1 98 LEU MD1 1.800 . 5.810 4.686 3.336 5.825 0.015 17 0 "[ . 1 . 2]" 1
339 1 51 TYR QB 1 52 ILE H 1.800 . 4.180 2.523 2.428 2.650 . 0 0 "[ . 1 . 2]" 1
340 1 51 TYR QB 1 91 PHE HZ 1.800 . 4.920 2.783 2.318 3.577 . 0 0 "[ . 1 . 2]" 1
341 1 51 TYR QD 1 95 THR MG 1.800 . 4.540 2.732 2.122 3.177 . 0 0 "[ . 1 . 2]" 1
342 1 51 TYR QD 1 98 LEU MD1 1.800 . 5.600 4.386 2.984 5.538 . 0 0 "[ . 1 . 2]" 1
343 1 51 TYR QE 1 95 THR HB 1.800 . 4.790 2.740 2.322 4.558 . 0 0 "[ . 1 . 2]" 1
344 1 51 TYR QE 1 95 THR MG 1.800 . 5.190 2.984 2.193 3.731 . 0 0 "[ . 1 . 2]" 1
345 1 51 TYR QE 1 98 LEU MD1 1.800 . 5.510 4.080 2.294 5.550 0.040 2 0 "[ . 1 . 2]" 1
346 1 51 TYR H 1 51 TYR QB 1.800 . 3.600 2.263 2.200 2.390 . 0 0 "[ . 1 . 2]" 1
347 1 51 TYR H 1 51 TYR QD 1.800 . 4.020 1.982 1.770 2.458 0.030 2 0 "[ . 1 . 2]" 1
348 1 51 TYR H 1 52 ILE HB 1.800 . 6.050 4.865 4.773 5.037 . 0 0 "[ . 1 . 2]" 1
349 1 51 TYR H 1 52 ILE H 1.800 . 3.970 2.733 2.667 2.900 . 0 0 "[ . 1 . 2]" 1
350 1 52 ILE HA 1 52 ILE QG 1.800 . 3.900 2.477 2.362 3.070 . 0 0 "[ . 1 . 2]" 1
351 1 52 ILE HA 1 55 ALA MB 1.800 . 4.220 2.552 2.159 2.803 . 0 0 "[ . 1 . 2]" 1
352 1 52 ILE HA 1 55 ALA H 1.800 . 4.810 3.485 3.258 3.713 . 0 0 "[ . 1 . 2]" 1
353 1 52 ILE HA 1 80 PHE QE 1.800 . 4.300 2.708 2.324 3.218 . 0 0 "[ . 1 . 2]" 1
354 1 52 ILE HB 1 53 SER QB 1.800 . 5.870 4.496 4.045 4.866 . 0 0 "[ . 1 . 2]" 1
355 1 52 ILE HB 1 53 SER H 1.800 . 3.670 2.545 2.452 2.598 . 0 0 "[ . 1 . 2]" 1
356 1 52 ILE MD 1 53 SER H 1.800 . 6.050 4.425 4.361 4.484 . 0 0 "[ . 1 . 2]" 1
357 1 52 ILE MD 1 64 TYR QE 1.800 . 4.230 2.755 2.374 3.465 . 0 0 "[ . 1 . 2]" 1
358 1 52 ILE MD 1 80 PHE QE 1.800 . 5.640 3.947 2.106 4.853 . 0 0 "[ . 1 . 2]" 1
359 1 52 ILE QG 1 80 PHE HZ 1.800 . 4.980 3.005 2.313 4.351 . 0 0 "[ . 1 . 2]" 1
360 1 52 ILE MG 1 53 SER HA 1.800 . 5.210 3.379 3.301 3.672 . 0 0 "[ . 1 . 2]" 1
361 1 52 ILE MG 1 53 SER H 1.800 . 4.100 3.310 3.231 3.560 . 0 0 "[ . 1 . 2]" 1
362 1 52 ILE MG 1 56 LYS QD 1.800 . 4.570 3.193 2.188 4.466 . 0 0 "[ . 1 . 2]" 1
363 1 52 ILE MG 1 64 TYR QE 1.800 . 4.650 2.761 2.247 3.373 . 0 0 "[ . 1 . 2]" 1
364 1 52 ILE MG 1 80 PHE HZ 1.800 . 5.250 4.866 3.951 5.293 0.043 18 0 "[ . 1 . 2]" 1
365 1 52 ILE H 1 52 ILE HB 1.800 . 3.840 2.461 2.414 2.640 . 0 0 "[ . 1 . 2]" 1
366 1 52 ILE H 1 52 ILE MD 1.800 . 4.590 3.326 2.779 3.466 . 0 0 "[ . 1 . 2]" 1
367 1 52 ILE H 1 52 ILE QG 1.800 . 3.810 2.179 1.899 2.261 . 0 0 "[ . 1 . 2]" 1
368 1 52 ILE H 1 52 ILE MG 1.800 . 4.610 3.757 3.748 3.766 . 0 0 "[ . 1 . 2]" 1
369 1 52 ILE H 1 53 SER H 1.800 . 3.820 2.688 2.631 2.732 . 0 0 "[ . 1 . 2]" 1
370 1 53 SER HA 1 56 LYS QB 1.800 . 4.550 2.957 2.578 3.460 . 0 0 "[ . 1 . 2]" 1
371 1 53 SER HA 1 56 LYS QD 1.800 . 4.630 3.429 2.510 4.822 0.192 14 0 "[ . 1 . 2]" 1
372 1 53 SER HA 1 56 LYS H 1.800 . 4.690 3.628 3.395 3.891 . 0 0 "[ . 1 . 2]" 1
373 1 53 SER QB 1 54 LEU H 1.800 . 3.880 2.574 2.148 3.384 . 0 0 "[ . 1 . 2]" 1
374 1 53 SER H 1 53 SER QB 1.800 . 3.270 2.445 2.212 2.591 . 0 0 "[ . 1 . 2]" 1
375 1 53 SER H 1 54 LEU H 1.800 . 3.830 2.797 2.693 3.000 . 0 0 "[ . 1 . 2]" 1
376 1 54 LEU HA 1 54 LEU MD1 1.800 . 3.900 3.000 2.089 3.845 . 0 0 "[ . 1 . 2]" 1
377 1 54 LEU HA 1 54 LEU MD2 1.800 . 4.330 2.444 2.145 3.816 . 0 0 "[ . 1 . 2]" 1
378 1 54 LEU HA 1 57 GLN QB 1.800 . 4.180 2.728 2.389 3.073 . 0 0 "[ . 1 . 2]" 1
379 1 54 LEU HA 1 57 GLN H 1.800 . 4.600 3.482 3.292 3.694 . 0 0 "[ . 1 . 2]" 1
380 1 54 LEU QB 1 54 LEU MD1 1.800 . 4.140 2.168 2.095 2.311 . 0 0 "[ . 1 . 2]" 1
381 1 54 LEU QB 1 54 LEU MD2 1.800 . 4.150 2.228 2.096 2.356 . 0 0 "[ . 1 . 2]" 1
382 1 54 LEU QB 1 58 VAL MG2 1.800 . 4.460 3.329 2.805 4.216 . 0 0 "[ . 1 . 2]" 1
383 1 54 LEU QB 1 91 PHE HA 1.800 . 6.050 4.666 4.043 5.850 . 0 0 "[ . 1 . 2]" 1
384 1 54 LEU QB 1 91 PHE QD 1.800 . 5.530 3.357 2.865 4.377 . 0 0 "[ . 1 . 2]" 1
385 1 54 LEU HB3 1 55 ALA H 1.800 . 4.250 3.390 2.546 3.592 . 0 0 "[ . 1 . 2]" 1
386 1 54 LEU HB3 1 91 PHE QE 1.800 . 5.250 2.965 2.364 3.682 . 0 0 "[ . 1 . 2]" 1
387 1 54 LEU HB3 1 95 THR MG 1.800 . 5.140 4.009 2.953 5.146 0.006 1 0 "[ . 1 . 2]" 1
388 1 54 LEU HB2 1 55 ALA H 1.800 . 4.250 2.778 2.529 3.894 . 0 0 "[ . 1 . 2]" 1
389 1 54 LEU HB2 1 91 PHE QE 1.800 . 5.250 2.776 2.347 4.957 . 0 0 "[ . 1 . 2]" 1
390 1 54 LEU HB2 1 95 THR MG 1.800 . 5.140 3.734 2.439 4.647 . 0 0 "[ . 1 . 2]" 1
391 1 54 LEU QD 1 57 GLN QB 1.800 . 5.280 3.377 2.491 4.146 . 0 0 "[ . 1 . 2]" 1
392 1 54 LEU QD 1 57 GLN QG 1.800 . 5.870 4.046 2.959 4.740 . 0 0 "[ . 1 . 2]" 1
393 1 54 LEU QD 1 91 PHE QD 1.800 . 6.050 4.230 3.308 5.114 . 0 0 "[ . 1 . 2]" 1
394 1 54 LEU QD 1 91 PHE QE 1.800 . 6.050 3.834 2.962 4.753 . 0 0 "[ . 1 . 2]" 1
395 1 54 LEU QD 1 94 LYS QD 1.800 . 4.220 2.784 2.063 4.083 . 0 0 "[ . 1 . 2]" 1
396 1 54 LEU QD 1 94 LYS QG 1.800 . 4.660 3.574 2.308 4.550 . 0 0 "[ . 1 . 2]" 1
397 1 54 LEU QD 1 95 THR HA 1.800 . 6.050 3.753 2.252 5.553 . 0 0 "[ . 1 . 2]" 1
398 1 54 LEU MD2 1 55 ALA H 1.800 . 4.710 4.390 3.880 4.722 0.012 2 0 "[ . 1 . 2]" 1
399 1 54 LEU HG 1 95 THR MG 1.800 . 4.840 4.575 3.412 4.896 0.056 6 0 "[ . 1 . 2]" 1
400 1 54 LEU H 1 54 LEU HB3 1.800 . 3.930 3.474 2.488 3.612 . 0 0 "[ . 1 . 2]" 1
401 1 54 LEU H 1 54 LEU HB2 1.800 . 3.930 2.369 2.228 2.622 . 0 0 "[ . 1 . 2]" 1
402 1 54 LEU H 1 54 LEU MD2 1.800 . 4.370 3.044 1.800 4.303 . 15 0 "[ . 1 . 2]" 1
403 1 54 LEU H 1 54 LEU HG 1.800 . 4.430 3.106 2.224 4.451 0.021 17 0 "[ . 1 . 2]" 1
404 1 54 LEU H 1 55 ALA MB 1.800 . 5.720 4.304 4.232 4.340 . 0 0 "[ . 1 . 2]" 1
405 1 54 LEU H 1 55 ALA H 1.800 . 3.780 2.644 2.573 2.677 . 0 0 "[ . 1 . 2]" 1
406 1 55 ALA HA 1 58 VAL HB 1.800 . 4.700 2.730 2.456 2.989 . 0 0 "[ . 1 . 2]" 1
407 1 55 ALA HA 1 58 VAL H 1.800 . 4.860 3.593 3.450 3.781 . 0 0 "[ . 1 . 2]" 1
408 1 55 ALA HA 1 59 TYR H 1.800 . 5.240 3.796 3.613 4.044 . 0 0 "[ . 1 . 2]" 1
409 1 55 ALA HA 1 62 VAL MG2 1.800 . 7.020 4.049 3.586 5.195 . 0 0 "[ . 1 . 2]" 1
410 1 55 ALA HA 1 82 PHE QE 1.800 . 4.980 3.188 2.624 3.792 . 0 0 "[ . 1 . 2]" 1
411 1 55 ALA HA 1 82 PHE HZ 1.800 . 4.640 3.648 2.894 4.446 . 0 0 "[ . 1 . 2]" 1
412 1 55 ALA HA 1 91 PHE QD 1.800 . 4.200 3.055 2.525 3.452 . 0 0 "[ . 1 . 2]" 1
413 1 55 ALA HA 1 91 PHE QE 1.800 . 5.150 2.771 2.338 3.135 . 0 0 "[ . 1 . 2]" 1
414 1 55 ALA MB 1 56 LYS H 1.800 . 3.840 2.458 2.284 2.591 . 0 0 "[ . 1 . 2]" 1
415 1 55 ALA MB 1 62 VAL MG1 1.800 . 3.500 2.323 2.051 3.101 . 0 0 "[ . 1 . 2]" 1
416 1 55 ALA MB 1 62 VAL MG2 1.800 . 3.870 2.296 2.057 3.240 . 0 0 "[ . 1 . 2]" 1
417 1 55 ALA MB 1 80 PHE QB 1.800 . 4.930 3.819 3.245 4.169 . 0 0 "[ . 1 . 2]" 1
418 1 55 ALA MB 1 80 PHE QD 1.800 . 4.270 2.788 2.413 3.213 . 0 0 "[ . 1 . 2]" 1
419 1 55 ALA MB 1 80 PHE QE 1.800 . 4.460 2.894 2.408 3.589 . 0 0 "[ . 1 . 2]" 1
420 1 55 ALA MB 1 82 PHE HZ 1.800 . 4.880 2.950 2.160 3.598 . 0 0 "[ . 1 . 2]" 1
421 1 55 ALA MB 1 91 PHE QB 1.800 . 5.490 4.839 4.262 5.214 . 0 0 "[ . 1 . 2]" 1
422 1 55 ALA MB 1 91 PHE QD 1.800 . 4.790 3.810 3.458 4.096 . 0 0 "[ . 1 . 2]" 1
423 1 55 ALA MB 1 91 PHE QE 1.800 . 4.360 2.474 2.290 2.859 . 0 0 "[ . 1 . 2]" 1
424 1 55 ALA H 1 55 ALA MB 1.800 . 3.480 2.214 2.171 2.242 . 0 0 "[ . 1 . 2]" 1
425 1 55 ALA H 1 56 LYS H 1.800 . 4.070 2.731 2.600 2.882 . 0 0 "[ . 1 . 2]" 1
426 1 55 ALA H 1 91 PHE QD 1.800 . 4.850 4.397 4.001 4.836 . 0 0 "[ . 1 . 2]" 1
427 1 55 ALA H 1 91 PHE QE 1.800 . 4.310 2.491 2.263 3.277 . 0 0 "[ . 1 . 2]" 1
428 1 56 LYS HA 1 56 LYS QD 1.800 . 5.070 3.883 2.291 4.157 . 0 0 "[ . 1 . 2]" 1
429 1 56 LYS HA 1 56 LYS QE 1.800 . 4.940 4.603 4.007 4.993 0.053 9 0 "[ . 1 . 2]" 1
430 1 56 LYS HA 1 56 LYS QG 1.800 . 3.860 2.322 2.240 2.536 . 0 0 "[ . 1 . 2]" 1
431 1 56 LYS HA 1 59 TYR H 1.800 . 4.370 3.619 3.458 3.721 . 0 0 "[ . 1 . 2]" 1
432 1 56 LYS HA 1 62 VAL MG1 1.800 . 3.930 2.448 2.116 2.863 . 0 0 "[ . 1 . 2]" 1
433 1 56 LYS QB 1 57 GLN H 1.800 . 4.130 2.495 2.409 2.577 . 0 0 "[ . 1 . 2]" 1
434 1 56 LYS QD 1 57 GLN H 1.800 . 4.820 4.656 4.420 5.049 0.229 13 0 "[ . 1 . 2]" 1
435 1 56 LYS QG 1 57 GLN H 1.800 . 4.860 3.948 3.573 4.147 . 0 0 "[ . 1 . 2]" 1
436 1 56 LYS QG 1 62 VAL MG1 1.800 . 3.740 2.458 2.085 3.286 . 0 0 "[ . 1 . 2]" 1
437 1 56 LYS H 1 56 LYS QB 1.800 . 3.730 2.317 2.217 2.382 . 0 0 "[ . 1 . 2]" 1
438 1 56 LYS H 1 56 LYS QD 1.800 . 5.270 4.023 3.628 4.407 . 0 0 "[ . 1 . 2]" 1
439 1 56 LYS H 1 56 LYS QG 1.800 . 3.690 2.885 2.249 3.953 0.263 5 0 "[ . 1 . 2]" 1
440 1 56 LYS H 1 57 GLN H 1.800 . 3.710 2.679 2.623 2.748 . 0 0 "[ . 1 . 2]" 1
441 1 56 LYS H 1 58 VAL H 1.800 . 4.930 4.195 4.112 4.321 . 0 0 "[ . 1 . 2]" 1
442 1 56 LYS H 1 62 VAL MG1 1.800 . 4.630 3.135 2.752 3.592 . 0 0 "[ . 1 . 2]" 1
443 1 57 GLN HA 1 57 GLN QG 1.800 . 3.720 2.496 2.320 2.914 . 0 0 "[ . 1 . 2]" 1
444 1 57 GLN QB 1 58 VAL H 1.800 . 3.860 2.454 2.319 2.570 . 0 0 "[ . 1 . 2]" 1
445 1 57 GLN H 1 57 GLN QB 1.800 . 3.490 2.338 2.220 2.443 . 0 0 "[ . 1 . 2]" 1
446 1 57 GLN H 1 58 VAL MG2 1.800 . 4.820 4.278 4.207 4.382 . 0 0 "[ . 1 . 2]" 1
447 1 58 VAL HA 1 58 VAL MG1 1.800 . 3.770 2.391 2.360 2.433 . 0 0 "[ . 1 . 2]" 1
448 1 58 VAL HA 1 58 VAL MG2 1.800 . 3.710 2.347 2.290 2.380 . 0 0 "[ . 1 . 2]" 1
449 1 58 VAL HB 1 59 TYR H 1.800 . 3.780 2.518 2.480 2.553 . 0 0 "[ . 1 . 2]" 1
450 1 58 VAL HB 1 82 PHE QE 1.800 . 5.290 3.482 2.566 4.384 . 0 0 "[ . 1 . 2]" 1
451 1 58 VAL MG1 1 59 TYR QB 1.800 . 4.950 2.784 2.630 3.228 . 0 0 "[ . 1 . 2]" 1
452 1 58 VAL MG1 1 59 TYR H 1.800 . 4.300 3.236 3.163 3.321 . 0 0 "[ . 1 . 2]" 1
453 1 58 VAL MG1 1 82 PHE QD 1.800 . 4.860 3.679 2.418 4.696 . 0 0 "[ . 1 . 2]" 1
454 1 58 VAL MG1 1 82 PHE QE 1.800 . 4.940 3.383 2.309 4.129 . 0 0 "[ . 1 . 2]" 1
455 1 58 VAL MG1 1 87 GLU HA 1.800 . 4.500 3.436 2.832 3.995 . 0 0 "[ . 1 . 2]" 1
456 1 58 VAL MG1 1 87 GLU QB 1.800 . 3.730 2.794 2.208 3.777 0.047 6 0 "[ . 1 . 2]" 1
457 1 58 VAL MG1 1 87 GLU QG 1.800 . 4.680 2.789 1.988 3.889 . 0 0 "[ . 1 . 2]" 1
458 1 58 VAL MG1 1 91 PHE HA 1.800 . 4.830 4.107 3.549 4.561 . 0 0 "[ . 1 . 2]" 1
459 1 58 VAL MG1 1 91 PHE QB 1.800 . 4.550 3.085 2.519 3.723 . 0 0 "[ . 1 . 2]" 1
460 1 58 VAL MG1 1 91 PHE H 1.800 . 4.750 4.141 3.349 4.728 . 0 0 "[ . 1 . 2]" 1
461 1 58 VAL MG2 1 59 TYR QB 1.800 . 6.050 4.800 4.760 4.903 . 0 0 "[ . 1 . 2]" 1
462 1 58 VAL MG2 1 59 TYR H 1.800 . 4.400 3.876 3.837 3.922 . 0 0 "[ . 1 . 2]" 1
463 1 58 VAL MG2 1 82 PHE QE 1.800 . 5.600 4.539 3.425 5.264 . 0 0 "[ . 1 . 2]" 1
464 1 58 VAL MG2 1 91 PHE HA 1.800 . 4.140 3.367 2.475 4.022 . 0 0 "[ . 1 . 2]" 1
465 1 58 VAL MG2 1 91 PHE QB 1.800 . 4.500 3.520 2.849 4.185 . 0 0 "[ . 1 . 2]" 1
466 1 58 VAL MG2 1 91 PHE QD 1.800 . 4.940 2.596 2.285 3.152 . 0 0 "[ . 1 . 2]" 1
467 1 58 VAL MG2 1 91 PHE QE 1.800 . 5.920 4.091 3.741 4.520 . 0 0 "[ . 1 . 2]" 1
468 1 58 VAL MG2 1 94 LYS QD 1.800 . 5.210 3.264 2.541 4.753 . 0 0 "[ . 1 . 2]" 1
469 1 58 VAL MG2 1 94 LYS HE3 1.800 . 4.660 3.827 2.676 4.704 0.044 19 0 "[ . 1 . 2]" 1
470 1 58 VAL MG2 1 94 LYS HE2 1.800 . 4.660 3.886 2.763 4.733 0.073 15 0 "[ . 1 . 2]" 1
471 1 58 VAL MG2 1 94 LYS QG 1.800 . 5.540 4.611 3.264 5.445 . 0 0 "[ . 1 . 2]" 1
472 1 58 VAL H 1 58 VAL HB 1.800 . 3.640 2.424 2.380 2.479 . 0 0 "[ . 1 . 2]" 1
473 1 58 VAL H 1 58 VAL MG1 1.800 . 4.470 3.756 3.743 3.772 . 0 0 "[ . 1 . 2]" 1
474 1 58 VAL H 1 58 VAL MG2 1.800 . 3.620 2.209 2.154 2.281 . 0 0 "[ . 1 . 2]" 1
475 1 58 VAL H 1 59 TYR H 1.800 . 3.590 2.688 2.640 2.760 . 0 0 "[ . 1 . 2]" 1
476 1 59 TYR HA 1 59 TYR QD 1.800 . 3.970 2.638 2.297 2.929 . 0 0 "[ . 1 . 2]" 1
477 1 59 TYR HA 1 60 ALA MB 1.800 . 5.190 4.003 3.850 4.059 . 0 0 "[ . 1 . 2]" 1
478 1 59 TYR HA 1 60 ALA H 1.800 . 3.370 2.264 2.112 3.558 0.188 17 0 "[ . 1 . 2]" 1
479 1 59 TYR QB 1 62 VAL HB 1.800 . 5.100 2.659 2.315 3.284 . 0 0 "[ . 1 . 2]" 1
480 1 59 TYR QB 1 62 VAL H 1.800 . 5.530 4.614 3.797 5.133 . 0 0 "[ . 1 . 2]" 1
481 1 59 TYR QB 1 87 GLU QG 1.800 . 4.970 3.878 2.568 5.015 0.045 10 0 "[ . 1 . 2]" 1
482 1 59 TYR HB3 1 60 ALA H 1.800 . 5.620 3.968 2.008 4.355 . 0 0 "[ . 1 . 2]" 1
483 1 59 TYR HB2 1 60 ALA H 1.800 . 5.620 4.198 3.315 4.384 . 0 0 "[ . 1 . 2]" 1
484 1 59 TYR QD 1 60 ALA H 1.800 . 4.320 3.372 1.817 3.685 . 0 0 "[ . 1 . 2]" 1
485 1 59 TYR QD 1 62 VAL HA 1.800 . 4.290 2.419 2.291 3.055 . 0 0 "[ . 1 . 2]" 1
486 1 59 TYR QD 1 62 VAL HB 1.800 . 4.600 2.519 2.330 3.242 . 0 0 "[ . 1 . 2]" 1
487 1 59 TYR QD 1 62 VAL MG2 1.800 . 4.410 3.106 2.392 3.635 . 0 0 "[ . 1 . 2]" 1
488 1 59 TYR QD 1 62 VAL H 1.800 . 4.700 3.539 2.991 4.020 . 0 0 "[ . 1 . 2]" 1
489 1 59 TYR QD 1 82 PHE HA 1.800 . 4.860 4.013 3.456 4.664 . 0 0 "[ . 1 . 2]" 1
490 1 59 TYR QE 1 62 VAL HA 1.800 . 4.610 3.200 2.517 3.757 . 0 0 "[ . 1 . 2]" 1
491 1 59 TYR QE 1 63 GLU H 1.800 . 5.250 4.607 3.725 5.281 0.031 6 0 "[ . 1 . 2]" 1
492 1 59 TYR QE 1 82 PHE HA 1.800 . 4.720 4.462 3.786 4.766 0.046 5 0 "[ . 1 . 2]" 1
493 1 59 TYR H 1 59 TYR QD 1.800 . 5.180 4.337 4.246 4.388 . 0 0 "[ . 1 . 2]" 1
494 1 59 TYR H 1 62 VAL HB 1.800 . 5.120 4.126 3.806 4.849 . 0 0 "[ . 1 . 2]" 1
495 1 59 TYR H 1 82 PHE QE 1.800 . 5.020 4.074 3.419 4.958 . 0 0 "[ . 1 . 2]" 1
496 1 60 ALA HA 1 62 VAL H 1.800 . 5.000 4.016 3.415 5.072 0.072 5 0 "[ . 1 . 2]" 1
497 1 60 ALA MB 1 61 ASN QB 1.800 . 5.440 3.404 3.159 3.731 . 0 0 "[ . 1 . 2]" 1
498 1 60 ALA MB 1 61 ASN QD 1.800 . 4.940 4.172 2.474 5.084 0.144 6 0 "[ . 1 . 2]" 1
499 1 60 ALA MB 1 62 VAL H 1.800 . 5.220 4.679 4.481 5.046 . 0 0 "[ . 1 . 2]" 1
500 1 60 ALA H 1 60 ALA MB 1.800 . 3.390 2.295 2.196 3.041 . 0 0 "[ . 1 . 2]" 1
501 1 62 VAL HA 1 62 VAL MG2 1.800 . 4.090 2.279 2.234 2.363 . 0 0 "[ . 1 . 2]" 1
502 1 62 VAL HA 1 63 GLU H 1.800 . 3.480 2.193 2.132 2.301 . 0 0 "[ . 1 . 2]" 1
503 1 62 VAL MG1 1 63 GLU H 1.800 . 4.740 3.772 3.429 3.922 . 0 0 "[ . 1 . 2]" 1
504 1 62 VAL MG1 1 80 PHE QE 1.800 . 5.100 3.949 3.530 4.387 . 0 0 "[ . 1 . 2]" 1
505 1 62 VAL MG2 1 63 GLU QB 1.800 . 5.600 4.113 3.853 4.286 . 0 0 "[ . 1 . 2]" 1
506 1 62 VAL MG2 1 63 GLU H 1.800 . 3.740 2.425 2.062 2.595 . 0 0 "[ . 1 . 2]" 1
507 1 62 VAL MG2 1 64 TYR H 1.800 . 5.390 4.557 4.378 4.872 . 0 0 "[ . 1 . 2]" 1
508 1 62 VAL MG2 1 80 PHE HA 1.800 . 5.000 3.958 3.678 4.500 . 0 0 "[ . 1 . 2]" 1
509 1 62 VAL MG2 1 80 PHE QB 1.800 . 4.300 3.171 2.842 3.574 . 0 0 "[ . 1 . 2]" 1
510 1 62 VAL MG2 1 80 PHE QD 1.800 . 4.030 2.558 2.117 2.975 . 0 0 "[ . 1 . 2]" 1
511 1 62 VAL MG2 1 81 LYS QB 1.800 . 5.870 3.805 2.942 4.628 . 0 0 "[ . 1 . 2]" 1
512 1 62 VAL MG2 1 81 LYS H 1.800 . 4.950 3.071 2.625 3.553 . 0 0 "[ . 1 . 2]" 1
513 1 62 VAL MG2 1 82 PHE HA 1.800 . 5.000 3.836 3.385 4.878 . 0 0 "[ . 1 . 2]" 1
514 1 62 VAL H 1 62 VAL HB 1.800 . 3.470 2.623 2.496 2.821 . 0 0 "[ . 1 . 2]" 1
515 1 62 VAL H 1 62 VAL MG1 1.800 . 3.450 1.982 1.806 2.110 . 0 0 "[ . 1 . 2]" 1
516 1 62 VAL H 1 62 VAL MG2 1.800 . 4.280 3.788 3.758 3.838 . 0 0 "[ . 1 . 2]" 1
517 1 62 VAL H 1 63 GLU H 1.800 . 5.030 4.592 4.486 4.627 . 0 0 "[ . 1 . 2]" 1
518 1 63 GLU HA 1 63 GLU QG 1.800 . 3.900 2.390 2.295 2.806 . 0 0 "[ . 1 . 2]" 1
519 1 63 GLU HA 1 64 TYR H 1.800 . 3.060 2.209 2.160 2.321 . 0 0 "[ . 1 . 2]" 1
520 1 63 GLU QB 1 64 TYR H 1.800 . 3.930 3.155 2.786 3.656 . 0 0 "[ . 1 . 2]" 1
521 1 63 GLU QG 1 64 TYR H 1.800 . 4.610 3.602 2.224 4.540 . 0 0 "[ . 1 . 2]" 1
522 1 63 GLU H 1 63 GLU QB 1.800 . 3.650 2.445 2.338 2.518 . 0 0 "[ . 1 . 2]" 1
523 1 63 GLU H 1 63 GLU QG 1.800 . 4.050 3.199 2.556 4.128 0.078 6 0 "[ . 1 . 2]" 1
524 1 63 GLU H 1 81 LYS H 1.800 . 5.150 3.629 3.285 3.980 . 0 0 "[ . 1 . 2]" 1
525 1 64 TYR HA 1 64 TYR QD 1.800 . 5.010 3.716 3.706 3.725 . 0 0 "[ . 1 . 2]" 1
526 1 64 TYR HA 1 65 GLU H 1.800 . 3.900 2.380 2.337 2.418 . 0 0 "[ . 1 . 2]" 1
527 1 64 TYR HA 1 80 PHE HA 1.800 . 4.520 2.548 2.324 2.776 . 0 0 "[ . 1 . 2]" 1
528 1 64 TYR HA 1 81 LYS H 1.800 . 5.000 3.569 2.868 4.026 . 0 0 "[ . 1 . 2]" 1
529 1 64 TYR QB 1 65 GLU H 1.800 . 3.900 2.471 2.352 2.540 . 0 0 "[ . 1 . 2]" 1
530 1 64 TYR QD 1 66 VAL QG 1.800 . 4.210 3.241 2.391 4.244 0.034 3 0 "[ . 1 . 2]" 1
531 1 64 TYR QE 1 66 VAL QG 1.800 . 4.380 3.549 2.740 4.361 . 0 0 "[ . 1 . 2]" 1
532 1 64 TYR H 1 64 TYR QD 1.800 . 3.940 2.860 2.710 3.024 . 0 0 "[ . 1 . 2]" 1
533 1 65 GLU HA 1 66 VAL HB 1.800 . 5.500 4.690 4.379 5.670 0.170 4 0 "[ . 1 . 2]" 1
534 1 65 GLU HA 1 66 VAL H 1.800 . 3.300 2.274 2.203 2.355 . 0 0 "[ . 1 . 2]" 1
535 1 65 GLU QB 1 79 ARG H 1.800 . 5.060 3.974 3.568 4.804 . 0 0 "[ . 1 . 2]" 1
536 1 65 GLU HB3 1 66 VAL H 1.800 . 5.860 3.471 2.646 3.921 . 0 0 "[ . 1 . 2]" 1
537 1 65 GLU HB2 1 66 VAL H 1.800 . 5.860 3.885 2.660 4.200 . 0 0 "[ . 1 . 2]" 1
538 1 65 GLU QG 1 66 VAL H 1.800 . 4.350 3.145 2.064 4.442 0.092 9 0 "[ . 1 . 2]" 1
539 1 65 GLU H 1 79 ARG H 1.800 . 4.290 2.849 2.459 3.382 . 0 0 "[ . 1 . 2]" 1
540 1 66 VAL HA 1 66 VAL MG1 1.800 . 4.070 2.644 2.287 3.215 . 0 0 "[ . 1 . 2]" 1
541 1 66 VAL HA 1 66 VAL MG2 1.800 . 4.070 2.461 2.232 3.204 . 0 0 "[ . 1 . 2]" 1
542 1 66 VAL HA 1 67 ALA H 1.800 . 3.430 2.149 2.116 2.186 . 0 0 "[ . 1 . 2]" 1
543 1 66 VAL HA 1 78 ALA HA 1.800 . 4.370 2.352 2.260 2.634 . 0 0 "[ . 1 . 2]" 1
544 1 66 VAL HA 1 78 ALA MB 1.800 . 4.020 2.917 2.386 3.382 . 0 0 "[ . 1 . 2]" 1
545 1 66 VAL HA 1 79 ARG H 1.800 . 4.860 3.648 3.230 4.104 . 0 0 "[ . 1 . 2]" 1
546 1 66 VAL HB 1 67 ALA H 1.800 . 4.860 4.059 3.247 4.255 . 0 0 "[ . 1 . 2]" 1
547 1 66 VAL HB 1 76 LEU MD2 1.800 . 5.810 4.468 3.072 5.314 . 0 0 "[ . 1 . 2]" 1
548 1 66 VAL QG 1 67 ALA H 1.800 . 3.770 2.700 2.457 3.566 . 0 0 "[ . 1 . 2]" 1
549 1 66 VAL QG 1 76 LEU MD2 1.800 . 3.310 2.636 2.202 3.324 0.014 17 0 "[ . 1 . 2]" 1
550 1 66 VAL QG 1 76 LEU HG 1.800 . 3.790 3.088 2.635 3.783 . 0 0 "[ . 1 . 2]" 1
551 1 66 VAL MG1 1 67 ALA H 1.800 . 4.590 3.298 2.522 4.102 . 0 0 "[ . 1 . 2]" 1
552 1 66 VAL MG2 1 67 ALA H 1.800 . 4.590 3.471 2.478 4.035 . 0 0 "[ . 1 . 2]" 1
553 1 66 VAL H 1 66 VAL HB 1.800 . 3.760 2.955 2.471 3.762 0.002 1 0 "[ . 1 . 2]" 1
554 1 66 VAL H 1 66 VAL QG 1.800 . 3.710 2.279 1.771 2.833 0.029 19 0 "[ . 1 . 2]" 1
555 1 66 VAL H 1 66 VAL MG1 1.800 . 4.710 2.995 1.860 3.874 . 0 0 "[ . 1 . 2]" 1
556 1 66 VAL H 1 66 VAL MG2 1.800 . 4.710 2.987 1.796 3.886 0.004 19 0 "[ . 1 . 2]" 1
557 1 67 ALA HA 1 68 PRO QD 1.800 . 3.360 2.129 2.074 2.195 . 0 0 "[ . 1 . 2]" 1
558 1 67 ALA HA 1 68 PRO QG 1.800 . 5.090 4.013 3.939 4.082 . 0 0 "[ . 1 . 2]" 1
559 1 67 ALA MB 1 68 PRO QD 1.800 . 3.820 2.158 2.026 3.108 . 0 0 "[ . 1 . 2]" 1
560 1 67 ALA MB 1 77 HIS QB 1.800 . 4.690 2.554 2.173 3.143 . 0 0 "[ . 1 . 2]" 1
561 1 67 ALA MB 1 77 HIS H 1.800 . 5.290 4.192 3.774 4.598 . 0 0 "[ . 1 . 2]" 1
562 1 67 ALA H 1 67 ALA MB 1.800 . 3.600 2.130 2.057 2.272 . 0 0 "[ . 1 . 2]" 1
563 1 67 ALA H 1 76 LEU MD2 1.800 . 5.520 5.015 4.213 5.606 0.086 17 0 "[ . 1 . 2]" 1
564 1 67 ALA H 1 77 HIS H 1.800 . 5.270 4.492 3.727 4.929 . 0 0 "[ . 1 . 2]" 1
565 1 67 ALA H 1 78 ALA HA 1.800 . 4.840 3.064 2.536 3.379 . 0 0 "[ . 1 . 2]" 1
566 1 67 ALA H 1 78 ALA MB 1.800 . 5.080 4.054 3.380 4.498 . 0 0 "[ . 1 . 2]" 1
567 1 68 PRO HA 1 69 VAL MG2 1.800 . 4.320 3.734 3.399 3.994 . 0 0 "[ . 1 . 2]" 1
568 1 68 PRO HA 1 69 VAL H 1.800 . 3.310 2.197 2.161 2.236 . 0 0 "[ . 1 . 2]" 1
569 1 68 PRO QB 1 69 VAL H 1.800 . 3.920 3.308 3.112 3.623 . 0 0 "[ . 1 . 2]" 1
570 1 68 PRO QD 1 69 VAL MG2 1.800 . 5.890 4.677 4.401 4.975 . 0 0 "[ . 1 . 2]" 1
571 1 69 VAL HA 1 69 VAL MG1 1.800 . 3.590 2.360 2.204 2.415 . 0 0 "[ . 1 . 2]" 1
572 1 69 VAL HA 1 69 VAL MG2 1.800 . 3.690 2.339 2.258 2.508 . 0 0 "[ . 1 . 2]" 1
573 1 69 VAL HA 1 70 ALA MB 1.800 . 4.610 3.994 3.956 4.097 . 0 0 "[ . 1 . 2]" 1
574 1 69 VAL HA 1 70 ALA H 1.800 . 2.950 2.180 2.139 2.399 . 0 0 "[ . 1 . 2]" 1
575 1 69 VAL HB 1 70 ALA H 1.800 . 4.580 4.136 3.409 4.230 . 0 0 "[ . 1 . 2]" 1
576 1 69 VAL HB 1 73 ALA MB 1.800 . 4.380 4.291 3.753 4.489 0.109 5 0 "[ . 1 . 2]" 1
577 1 69 VAL MG1 1 70 ALA H 1.800 . 3.960 2.455 1.865 2.590 . 0 0 "[ . 1 . 2]" 1
578 1 69 VAL MG1 1 71 ASP H 1.800 . 5.790 4.384 1.856 5.344 . 0 0 "[ . 1 . 2]" 1
579 1 69 VAL MG1 1 73 ALA MB 1.800 . 3.250 1.968 1.802 2.130 . 0 0 "[ . 1 . 2]" 1
580 1 69 VAL MG1 1 73 ALA H 1.800 . 4.540 3.643 3.008 4.211 . 0 0 "[ . 1 . 2]" 1
581 1 69 VAL MG1 1 76 LEU HA 1.800 . 4.650 3.062 2.285 3.853 . 0 0 "[ . 1 . 2]" 1
582 1 69 VAL MG2 1 70 ALA H 1.800 . 4.590 3.904 3.822 4.036 . 0 0 "[ . 1 . 2]" 1
583 1 69 VAL MG2 1 76 LEU HA 1.800 . 4.600 2.465 2.209 3.271 . 0 0 "[ . 1 . 2]" 1
584 1 69 VAL MG2 1 76 LEU HG 1.800 . 3.420 2.657 2.220 3.548 0.128 14 0 "[ . 1 . 2]" 1
585 1 69 VAL H 1 69 VAL HB 1.800 . 4.280 2.675 2.567 2.930 . 0 0 "[ . 1 . 2]" 1
586 1 69 VAL H 1 69 VAL MG1 1.800 . 4.510 3.856 3.808 3.973 . 0 0 "[ . 1 . 2]" 1
587 1 69 VAL H 1 69 VAL MG2 1.800 . 3.510 2.936 2.625 3.072 . 0 0 "[ . 1 . 2]" 1
588 1 70 ALA HA 1 71 ASP H 1.800 . 3.090 2.408 2.268 2.924 . 0 0 "[ . 1 . 2]" 1
589 1 70 ALA MB 1 71 ASP QB 1.800 . 5.210 4.096 3.725 4.584 . 0 0 "[ . 1 . 2]" 1
590 1 70 ALA MB 1 71 ASP H 1.800 . 3.410 2.786 2.355 3.631 0.221 15 0 "[ . 1 . 2]" 1
591 1 70 ALA MB 1 72 ASN H 1.800 . 3.700 2.876 2.555 3.620 . 0 0 "[ . 1 . 2]" 1
592 1 70 ALA MB 1 73 ALA H 1.800 . 4.700 2.728 2.346 2.995 . 0 0 "[ . 1 . 2]" 1
593 1 70 ALA H 1 70 ALA MB 1.800 . 3.210 2.221 2.069 2.293 . 0 0 "[ . 1 . 2]" 1
594 1 70 ALA H 1 73 ALA HA 1.800 . 5.600 4.529 4.070 5.594 . 0 0 "[ . 1 . 2]" 1
595 1 70 ALA H 1 73 ALA MB 1.800 . 3.930 2.209 1.886 2.720 . 0 0 "[ . 1 . 2]" 1
596 1 70 ALA H 1 73 ALA H 1.800 . 5.000 4.175 3.779 4.531 . 0 0 "[ . 1 . 2]" 1
597 1 71 ASP HA 1 73 ALA H 1.800 . 5.000 3.742 3.585 3.914 . 0 0 "[ . 1 . 2]" 1
598 1 71 ASP QB 1 72 ASN H 1.800 . 4.320 2.639 1.848 3.520 . 0 0 "[ . 1 . 2]" 1
599 1 71 ASP H 1 71 ASP QB 1.800 . 3.270 2.426 2.205 3.252 . 0 0 "[ . 1 . 2]" 1
600 1 71 ASP H 1 72 ASN QB 1.800 . 5.350 4.867 4.511 5.640 0.290 15 0 "[ . 1 . 2]" 1
601 1 71 ASP H 1 72 ASN H 1.800 . 3.840 2.830 2.521 3.896 0.056 15 0 "[ . 1 . 2]" 1
602 1 71 ASP H 1 73 ALA H 1.800 . 5.000 3.902 3.517 4.147 . 0 0 "[ . 1 . 2]" 1
603 1 72 ASN H 1 72 ASN QB 1.800 . 3.730 2.424 2.266 2.722 . 0 0 "[ . 1 . 2]" 1
604 1 72 ASN H 1 73 ALA H 1.800 . 3.690 2.595 2.416 2.720 . 0 0 "[ . 1 . 2]" 1
605 1 73 ALA HA 1 74 THR H 1.800 . 3.480 2.594 2.217 3.522 0.042 1 0 "[ . 1 . 2]" 1
606 1 73 ALA HA 1 75 GLU H 1.800 . 4.250 3.756 3.611 4.208 . 0 0 "[ . 1 . 2]" 1
607 1 73 ALA MB 1 74 THR H 1.800 . 3.970 2.858 2.567 3.171 . 0 0 "[ . 1 . 2]" 1
608 1 73 ALA MB 1 75 GLU H 1.800 . 3.860 2.406 2.209 2.633 . 0 0 "[ . 1 . 2]" 1
609 1 73 ALA H 1 73 ALA MB 1.800 . 3.230 2.221 2.143 2.260 . 0 0 "[ . 1 . 2]" 1
610 1 73 ALA H 1 74 THR H 1.800 . 5.130 4.048 2.501 4.677 . 0 0 "[ . 1 . 2]" 1
611 1 74 THR HA 1 74 THR MG 1.800 . 3.630 2.502 2.213 3.166 . 0 0 "[ . 1 . 2]" 1
612 1 74 THR HB 1 75 GLU H 1.800 . 5.010 4.302 3.449 4.784 . 0 0 "[ . 1 . 2]" 1
613 1 74 THR MG 1 75 GLU H 1.800 . 4.750 3.933 2.895 4.290 . 0 0 "[ . 1 . 2]" 1
614 1 74 THR H 1 74 THR MG 1.800 . 4.350 2.494 1.766 3.912 0.034 14 0 "[ . 1 . 2]" 1
615 1 74 THR H 1 75 GLU H 1.800 . 3.580 2.439 2.142 3.142 . 0 0 "[ . 1 . 2]" 1
616 1 75 GLU HA 1 76 LEU H 1.800 . 3.700 2.316 2.100 2.555 . 0 0 "[ . 1 . 2]" 1
617 1 75 GLU QB 1 76 LEU H 1.800 . 4.400 2.827 2.185 3.504 . 0 0 "[ . 1 . 2]" 1
618 1 75 GLU H 1 75 GLU QG 1.800 . 4.330 3.073 2.087 4.144 . 0 0 "[ . 1 . 2]" 1
619 1 76 LEU HA 1 76 LEU MD1 1.800 . 4.960 2.926 2.232 3.690 . 0 0 "[ . 1 . 2]" 1
620 1 76 LEU HA 1 76 LEU MD2 1.800 . 4.730 3.614 3.092 3.833 . 0 0 "[ . 1 . 2]" 1
621 1 76 LEU HA 1 77 HIS H 1.800 . 3.750 2.172 2.124 2.326 . 0 0 "[ . 1 . 2]" 1
622 1 76 LEU MD2 1 77 HIS HA 1.800 . 5.010 3.951 3.029 4.925 . 0 0 "[ . 1 . 2]" 1
623 1 76 LEU MD2 1 77 HIS H 1.800 . 5.090 3.546 2.482 4.158 . 0 0 "[ . 1 . 2]" 1
624 1 76 LEU HG 1 77 HIS H 1.800 . 4.840 2.469 2.091 3.240 . 0 0 "[ . 1 . 2]" 1
625 1 76 LEU H 1 76 LEU MD2 1.800 . 5.930 4.229 3.921 4.634 . 0 0 "[ . 1 . 2]" 1
626 1 77 HIS HA 1 78 ALA MB 1.800 . 4.790 4.010 3.944 4.106 . 0 0 "[ . 1 . 2]" 1
627 1 77 HIS HA 1 78 ALA H 1.800 . 3.660 2.165 2.114 2.243 . 0 0 "[ . 1 . 2]" 1
628 1 77 HIS H 1 78 ALA MB 1.800 . 5.980 4.545 4.260 4.860 . 0 0 "[ . 1 . 2]" 1
629 1 78 ALA HA 1 79 ARG H 1.800 . 3.660 2.337 2.256 2.444 . 0 0 "[ . 1 . 2]" 1
630 1 78 ALA MB 1 79 ARG H 1.800 . 4.060 2.554 2.335 2.682 . 0 0 "[ . 1 . 2]" 1
631 1 78 ALA MB 1 80 PHE QE 1.800 . 4.600 2.400 2.068 2.663 . 0 0 "[ . 1 . 2]" 1
632 1 79 ARG HB3 1 80 PHE H 1.800 . 5.710 3.057 2.781 4.027 . 0 0 "[ . 1 . 2]" 1
633 1 79 ARG HB2 1 80 PHE H 1.800 . 5.710 3.951 2.718 4.243 . 0 0 "[ . 1 . 2]" 1
634 1 79 ARG H 1 80 PHE H 1.800 . 5.020 4.437 4.380 4.474 . 0 0 "[ . 1 . 2]" 1
635 1 80 PHE QB 1 82 PHE QE 1.800 . 4.510 2.272 2.093 2.519 . 0 0 "[ . 1 . 2]" 1
636 1 80 PHE H 1 80 PHE QD 1.800 . 4.570 2.782 2.632 2.925 . 0 0 "[ . 1 . 2]" 1
637 1 80 PHE H 1 81 LYS H 1.800 . 4.930 4.457 4.431 4.486 . 0 0 "[ . 1 . 2]" 1
638 1 81 LYS HA 1 81 LYS QD 1.800 . 4.170 3.841 2.187 4.158 . 0 0 "[ . 1 . 2]" 1
639 1 81 LYS HA 1 82 PHE H 1.800 . 3.790 2.162 2.121 2.229 . 0 0 "[ . 1 . 2]" 1
640 1 81 LYS QG 1 82 PHE H 1.800 . 4.790 3.070 2.436 4.698 . 0 0 "[ . 1 . 2]" 1
641 1 82 PHE QB 1 87 GLU QB 1.800 . 4.500 2.504 2.096 4.120 . 0 0 "[ . 1 . 2]" 1
642 1 82 PHE QB 1 88 LYS HA 1.800 . 5.520 4.594 3.473 5.271 . 0 0 "[ . 1 . 2]" 1
643 1 82 PHE QB 1 88 LYS H 1.800 . 4.800 3.956 3.183 4.654 . 0 0 "[ . 1 . 2]" 1
644 1 82 PHE HB3 1 83 GLU H 1.800 . 4.810 2.591 1.769 4.151 0.031 2 0 "[ . 1 . 2]" 1
645 1 82 PHE HB2 1 83 GLU H 1.800 . 4.810 3.341 1.815 4.113 . 0 0 "[ . 1 . 2]" 1
646 1 82 PHE QD 1 83 GLU H 1.800 . 4.920 3.693 3.341 4.705 . 0 0 "[ . 1 . 2]" 1
647 1 82 PHE QD 1 87 GLU QB 1.800 . 5.530 2.955 2.311 3.921 . 0 0 "[ . 1 . 2]" 1
648 1 82 PHE QD 1 88 LYS HA 1.800 . 5.180 3.886 2.945 4.693 . 0 0 "[ . 1 . 2]" 1
649 1 82 PHE QE 1 91 PHE QD 1.800 . 4.380 3.194 2.421 3.922 . 0 0 "[ . 1 . 2]" 1
650 1 82 PHE H 1 82 PHE QD 1.800 . 4.580 3.149 2.634 3.480 . 0 0 "[ . 1 . 2]" 1
651 1 83 GLU HA 1 83 GLU QG 1.800 . 3.900 2.656 2.326 3.303 . 0 0 "[ . 1 . 2]" 1
652 1 83 GLU QB 1 84 VAL MG1 1.800 . 4.110 2.692 2.181 3.391 . 0 0 "[ . 1 . 2]" 1
653 1 83 GLU QG 1 84 VAL H 1.800 . 4.840 3.624 1.977 4.514 . 0 0 "[ . 1 . 2]" 1
654 1 83 GLU HG3 1 84 VAL MG1 1.800 . 4.220 3.394 2.298 4.436 0.216 6 0 "[ . 1 . 2]" 1
655 1 83 GLU HG2 1 84 VAL MG1 1.800 . 4.220 3.121 2.233 4.439 0.219 14 0 "[ . 1 . 2]" 1
656 1 83 GLU H 1 83 GLU QG 1.800 . 4.710 3.578 1.767 4.303 0.033 20 0 "[ . 1 . 2]" 1
657 1 83 GLU H 1 84 VAL H 1.800 . 4.310 2.371 1.744 2.985 0.056 11 0 "[ . 1 . 2]" 1
658 1 84 VAL HA 1 84 VAL MG1 1.800 . 3.520 2.340 2.253 2.503 . 0 0 "[ . 1 . 2]" 1
659 1 84 VAL HA 1 84 VAL MG2 1.800 . 3.930 3.201 3.177 3.212 . 0 0 "[ . 1 . 2]" 1
660 1 84 VAL HA 1 85 SER H 1.800 . 3.500 2.327 2.141 2.401 . 0 0 "[ . 1 . 2]" 1
661 1 84 VAL HB 1 85 SER H 1.800 . 4.080 2.606 2.466 3.236 . 0 0 "[ . 1 . 2]" 1
662 1 84 VAL HB 1 86 ALA H 1.800 . 4.230 2.701 2.383 3.329 . 0 0 "[ . 1 . 2]" 1
663 1 84 VAL MG1 1 85 SER H 1.800 . 4.700 3.755 3.410 4.142 . 0 0 "[ . 1 . 2]" 1
664 1 84 VAL MG1 1 86 ALA MB 1.800 . 4.610 4.032 3.919 4.246 . 0 0 "[ . 1 . 2]" 1
665 1 84 VAL MG1 1 86 ALA H 1.800 . 4.950 4.298 4.072 4.826 . 0 0 "[ . 1 . 2]" 1
666 1 84 VAL MG1 1 87 GLU H 1.800 . 5.480 4.761 4.574 5.045 . 0 0 "[ . 1 . 2]" 1
667 1 84 VAL MG2 1 85 SER H 1.800 . 4.700 3.533 3.191 3.749 . 0 0 "[ . 1 . 2]" 1
668 1 84 VAL MG2 1 86 ALA H 1.800 . 3.830 2.581 2.046 3.157 . 0 0 "[ . 1 . 2]" 1
669 1 84 VAL MG2 1 87 GLU QG 1.800 . 3.730 2.480 1.974 3.850 0.120 15 0 "[ . 1 . 2]" 1
670 1 84 VAL MG2 1 87 GLU H 1.800 . 3.650 1.967 1.758 2.449 0.042 19 0 "[ . 1 . 2]" 1
671 1 84 VAL H 1 84 VAL MG1 1.800 . 4.790 2.896 2.558 3.242 . 0 0 "[ . 1 . 2]" 1
672 1 84 VAL H 1 84 VAL MG2 1.800 . 4.250 2.101 1.966 2.287 . 0 0 "[ . 1 . 2]" 1
673 1 84 VAL H 1 85 SER H 1.800 . 4.980 4.454 4.304 4.475 . 0 0 "[ . 1 . 2]" 1
674 1 84 VAL H 1 87 GLU QB 1.800 . 5.480 3.476 2.988 4.777 . 0 0 "[ . 1 . 2]" 1
675 1 85 SER HA 1 88 LYS HB3 1.800 . 4.860 2.973 2.348 3.473 . 0 0 "[ . 1 . 2]" 1
676 1 85 SER HA 1 88 LYS HB2 1.800 . 4.860 2.937 2.685 3.416 . 0 0 "[ . 1 . 2]" 1
677 1 85 SER HA 1 88 LYS H 1.800 . 4.650 3.136 3.052 3.391 . 0 0 "[ . 1 . 2]" 1
678 1 85 SER QB 1 86 ALA H 1.800 . 4.480 2.985 2.523 3.696 . 0 0 "[ . 1 . 2]" 1
679 1 85 SER H 1 86 ALA H 1.800 . 4.470 2.563 2.310 2.700 . 0 0 "[ . 1 . 2]" 1
680 1 86 ALA HA 1 89 LEU QD 1.800 . 4.800 3.125 2.491 4.126 . 0 0 "[ . 1 . 2]" 1
681 1 86 ALA HA 1 89 LEU H 1.800 . 4.800 3.621 3.366 3.773 . 0 0 "[ . 1 . 2]" 1
682 1 86 ALA MB 1 87 GLU H 1.800 . 4.060 2.485 2.354 2.642 . 0 0 "[ . 1 . 2]" 1
683 1 86 ALA MB 1 88 LYS H 1.800 . 5.420 4.379 4.283 4.524 . 0 0 "[ . 1 . 2]" 1
684 1 86 ALA MB 1 89 LEU H 1.800 . 5.680 4.755 4.539 4.889 . 0 0 "[ . 1 . 2]" 1
685 1 86 ALA MB 1 90 ILE MD 1.800 . 3.930 3.388 2.790 3.991 0.061 1 0 "[ . 1 . 2]" 1
686 1 86 ALA MB 1 90 ILE H 1.800 . 5.080 4.759 4.356 4.905 . 0 0 "[ . 1 . 2]" 1
687 1 86 ALA H 1 86 ALA MB 1.800 . 3.230 2.222 2.165 2.282 . 0 0 "[ . 1 . 2]" 1
688 1 86 ALA H 1 87 GLU H 1.800 . 4.390 2.798 2.646 3.063 . 0 0 "[ . 1 . 2]" 1
689 1 87 GLU HA 1 87 GLU QG 1.800 . 3.950 2.504 2.305 3.431 . 0 0 "[ . 1 . 2]" 1
690 1 87 GLU HA 1 90 ILE HB 1.800 . 4.360 2.705 2.463 2.925 . 0 0 "[ . 1 . 2]" 1
691 1 87 GLU HA 1 90 ILE MD 1.800 . 4.980 3.234 2.483 4.963 . 0 0 "[ . 1 . 2]" 1
692 1 87 GLU HA 1 90 ILE MG 1.800 . 5.010 4.013 3.831 4.300 . 0 0 "[ . 1 . 2]" 1
693 1 87 GLU HA 1 90 ILE H 1.800 . 5.000 3.521 3.442 3.607 . 0 0 "[ . 1 . 2]" 1
694 1 87 GLU QB 1 88 LYS H 1.800 . 4.400 2.770 2.631 3.495 . 0 0 "[ . 1 . 2]" 1
695 1 87 GLU H 1 87 GLU QB 1.800 . 3.720 2.337 2.068 2.564 . 0 0 "[ . 1 . 2]" 1
696 1 87 GLU H 1 87 GLU QG 1.800 . 4.200 2.599 1.867 3.966 . 0 0 "[ . 1 . 2]" 1
697 1 87 GLU H 1 88 LYS H 1.800 . 3.890 2.574 2.484 2.816 . 0 0 "[ . 1 . 2]" 1
698 1 87 GLU H 1 90 ILE HB 1.800 . 5.330 5.254 4.973 5.413 0.083 4 0 "[ . 1 . 2]" 1
699 1 88 LYS HA 1 91 PHE HB3 1.800 . 5.900 2.616 2.418 2.880 . 0 0 "[ . 1 . 2]" 1
700 1 88 LYS HA 1 91 PHE HB2 1.800 . 5.900 3.745 3.525 4.011 . 0 0 "[ . 1 . 2]" 1
701 1 88 LYS HA 1 91 PHE H 1.800 . 4.630 3.688 3.570 3.809 . 0 0 "[ . 1 . 2]" 1
702 1 88 LYS HA 1 92 GLU H 1.800 . 5.000 3.667 3.397 4.010 . 0 0 "[ . 1 . 2]" 1
703 1 88 LYS QB 1 88 LYS QD 1.800 . 3.670 2.174 2.124 2.345 . 0 0 "[ . 1 . 2]" 1
704 1 88 LYS QB 1 89 LEU MD1 1.800 . 4.770 4.301 2.290 4.932 0.162 12 0 "[ . 1 . 2]" 1
705 1 88 LYS QB 1 89 LEU H 1.800 . 4.130 2.399 2.255 2.476 . 0 0 "[ . 1 . 2]" 1
706 1 88 LYS QE 1 88 LYS QG 1.800 . 3.650 2.200 2.123 2.433 . 0 0 "[ . 1 . 2]" 1
707 1 88 LYS QG 1 89 LEU H 1.800 . 5.870 3.588 3.330 4.275 . 0 0 "[ . 1 . 2]" 1
708 1 88 LYS H 1 88 LYS HB3 1.800 . 3.950 2.572 2.436 2.866 . 0 0 "[ . 1 . 2]" 1
709 1 88 LYS H 1 88 LYS HB2 1.800 . 3.950 2.514 2.240 2.665 . 0 0 "[ . 1 . 2]" 1
710 1 88 LYS H 1 88 LYS QG 1.800 . 5.260 3.986 3.890 4.048 . 0 0 "[ . 1 . 2]" 1
711 1 88 LYS H 1 89 LEU H 1.800 . 4.100 2.734 2.694 2.775 . 0 0 "[ . 1 . 2]" 1
712 1 88 LYS H 1 90 ILE HB 1.800 . 6.050 5.255 5.045 5.429 . 0 0 "[ . 1 . 2]" 1
713 1 89 LEU HA 1 89 LEU MD1 1.800 . 4.030 3.017 2.101 3.837 . 0 0 "[ . 1 . 2]" 1
714 1 89 LEU HA 1 89 LEU MD2 1.800 . 4.420 2.675 2.126 3.826 . 0 0 "[ . 1 . 2]" 1
715 1 89 LEU HA 1 89 LEU HG 1.800 . 4.140 3.003 2.363 3.660 . 0 0 "[ . 1 . 2]" 1
716 1 89 LEU HA 1 92 GLU QB 1.800 . 4.620 2.932 2.654 3.162 . 0 0 "[ . 1 . 2]" 1
717 1 89 LEU HA 1 92 GLU H 1.800 . 4.800 3.771 3.610 3.920 . 0 0 "[ . 1 . 2]" 1
718 1 89 LEU QB 1 89 LEU MD2 1.800 . 3.530 2.197 2.090 2.352 . 0 0 "[ . 1 . 2]" 1
719 1 89 LEU QB 1 90 ILE H 1.800 . 3.530 2.420 2.286 2.580 . 0 0 "[ . 1 . 2]" 1
720 1 89 LEU H 1 89 LEU QB 1.800 . 3.300 2.328 2.240 2.453 . 0 0 "[ . 1 . 2]" 1
721 1 89 LEU H 1 89 LEU MD1 1.800 . 4.300 3.462 1.833 4.000 . 0 0 "[ . 1 . 2]" 1
722 1 89 LEU H 1 89 LEU MD2 1.800 . 5.410 3.334 1.760 4.320 0.040 1 0 "[ . 1 . 2]" 1
723 1 89 LEU H 1 90 ILE H 1.800 . 4.060 2.743 2.664 2.822 . 0 0 "[ . 1 . 2]" 1
724 1 90 ILE HA 1 90 ILE MD 1.800 . 4.520 3.277 2.079 3.831 . 0 0 "[ . 1 . 2]" 1
725 1 90 ILE HA 1 90 ILE HG13 1.800 . 4.250 2.773 2.480 3.742 . 0 0 "[ . 1 . 2]" 1
726 1 90 ILE HA 1 90 ILE HG12 1.800 . 4.250 2.913 2.530 3.649 . 0 0 "[ . 1 . 2]" 1
727 1 90 ILE HA 1 93 LEU QB 1.800 . 4.070 2.683 2.239 3.324 . 0 0 "[ . 1 . 2]" 1
728 1 90 ILE HA 1 93 LEU MD1 1.800 . 4.500 3.980 2.365 4.707 0.207 12 0 "[ . 1 . 2]" 1
729 1 90 ILE HA 1 93 LEU MD2 1.800 . 5.000 4.044 3.076 5.059 0.059 13 0 "[ . 1 . 2]" 1
730 1 90 ILE HA 1 93 LEU H 1.800 . 4.740 3.555 3.191 3.949 . 0 0 "[ . 1 . 2]" 1
731 1 90 ILE HB 1 91 PHE HA 1.800 . 4.770 4.429 4.214 4.605 . 0 0 "[ . 1 . 2]" 1
732 1 90 ILE HB 1 91 PHE H 1.800 . 3.990 2.561 2.461 2.701 . 0 0 "[ . 1 . 2]" 1
733 1 90 ILE MG 1 91 PHE HA 1.800 . 4.660 3.293 3.123 3.685 . 0 0 "[ . 1 . 2]" 1
734 1 90 ILE MG 1 91 PHE H 1.800 . 4.910 3.197 2.992 3.512 . 0 0 "[ . 1 . 2]" 1
735 1 90 ILE MG 1 94 LYS QE 1.800 . 4.130 3.045 2.117 4.304 0.174 2 0 "[ . 1 . 2]" 1
736 1 90 ILE MG 1 94 LYS H 1.800 . 4.850 3.934 3.627 4.304 . 0 0 "[ . 1 . 2]" 1
737 1 90 ILE H 1 90 ILE HB 1.800 . 3.520 2.386 2.264 2.595 . 0 0 "[ . 1 . 2]" 1
738 1 90 ILE H 1 90 ILE MD 1.800 . 4.330 2.927 1.811 3.472 . 0 0 "[ . 1 . 2]" 1
739 1 90 ILE H 1 90 ILE HG13 1.800 . 4.280 2.820 2.231 3.914 . 0 0 "[ . 1 . 2]" 1
740 1 90 ILE H 1 90 ILE HG12 1.800 . 4.280 3.589 2.018 3.782 . 0 0 "[ . 1 . 2]" 1
741 1 90 ILE H 1 90 ILE MG 1.800 . 4.820 3.741 3.695 3.775 . 0 0 "[ . 1 . 2]" 1
742 1 90 ILE H 1 91 PHE H 1.800 . 3.930 2.639 2.581 2.672 . 0 0 "[ . 1 . 2]" 1
743 1 91 PHE HA 1 91 PHE QD 1.800 . 4.370 2.486 2.321 2.809 . 0 0 "[ . 1 . 2]" 1
744 1 91 PHE HB3 1 92 GLU H 1.800 . 4.810 2.467 2.389 2.531 . 0 0 "[ . 1 . 2]" 1
745 1 91 PHE HB2 1 92 GLU H 1.800 . 4.810 3.818 3.741 3.862 . 0 0 "[ . 1 . 2]" 1
746 1 91 PHE QE 1 95 THR MG 1.800 . 4.570 2.770 2.355 3.398 . 0 0 "[ . 1 . 2]" 1
747 1 91 PHE H 1 91 PHE HB3 1.800 . 3.920 2.524 2.427 2.630 . 0 0 "[ . 1 . 2]" 1
748 1 91 PHE H 1 91 PHE HB2 1.800 . 3.920 2.559 2.449 2.643 . 0 0 "[ . 1 . 2]" 1
749 1 91 PHE H 1 91 PHE QD 1.800 . 4.790 4.192 4.159 4.202 . 0 0 "[ . 1 . 2]" 1
750 1 91 PHE H 1 92 GLU H 1.800 . 4.170 2.734 2.661 2.796 . 0 0 "[ . 1 . 2]" 1
751 1 92 GLU QB 1 93 LEU H 1.800 . 4.090 2.517 2.085 2.748 . 0 0 "[ . 1 . 2]" 1
752 1 92 GLU H 1 92 GLU QB 1.800 . 3.690 2.262 2.123 2.355 . 0 0 "[ . 1 . 2]" 1
753 1 92 GLU H 1 92 GLU QG 1.800 . 4.750 3.750 2.340 4.075 . 0 0 "[ . 1 . 2]" 1
754 1 92 GLU H 1 93 LEU H 1.800 . 4.150 2.679 2.536 2.992 . 0 0 "[ . 1 . 2]" 1
755 1 93 LEU HA 1 93 LEU MD1 1.800 . 4.200 3.009 2.106 3.839 . 0 0 "[ . 1 . 2]" 1
756 1 93 LEU HA 1 93 LEU MD2 1.800 . 4.640 3.258 2.125 3.851 . 0 0 "[ . 1 . 2]" 1
757 1 93 LEU HA 1 96 ARG H 1.800 . 5.000 3.655 3.482 3.893 . 0 0 "[ . 1 . 2]" 1
758 1 93 LEU HA 1 97 ALA H 1.800 . 5.280 4.056 3.681 4.434 . 0 0 "[ . 1 . 2]" 1
759 1 93 LEU QB 1 93 LEU MD2 1.800 . 3.100 2.153 2.094 2.236 . 0 0 "[ . 1 . 2]" 1
760 1 93 LEU QB 1 94 LYS H 1.800 . 3.600 2.445 2.301 2.689 . 0 0 "[ . 1 . 2]" 1
761 1 93 LEU MD1 1 94 LYS H 1.800 . 5.350 4.452 3.472 4.759 . 0 0 "[ . 1 . 2]" 1
762 1 93 LEU H 1 93 LEU HB3 1.800 . 3.750 2.853 2.457 3.607 . 0 0 "[ . 1 . 2]" 1
763 1 93 LEU H 1 93 LEU HB2 1.800 . 3.750 2.431 2.228 2.585 . 0 0 "[ . 1 . 2]" 1
764 1 93 LEU H 1 93 LEU MD1 1.800 . 5.270 3.835 1.838 4.308 . 0 0 "[ . 1 . 2]" 1
765 1 93 LEU H 1 93 LEU MD2 1.800 . 5.080 4.037 3.549 4.379 . 0 0 "[ . 1 . 2]" 1
766 1 93 LEU H 1 94 LYS H 1.800 . 3.970 2.717 2.651 2.762 . 0 0 "[ . 1 . 2]" 1
767 1 94 LYS HA 1 94 LYS HD3 1.800 . 4.870 4.358 2.264 4.814 . 0 0 "[ . 1 . 2]" 1
768 1 94 LYS HA 1 94 LYS HD2 1.800 . 4.870 4.488 2.835 4.816 . 0 0 "[ . 1 . 2]" 1
769 1 94 LYS HA 1 94 LYS QG 1.800 . 3.860 2.349 2.277 2.808 . 0 0 "[ . 1 . 2]" 1
770 1 94 LYS HA 1 97 ALA H 1.800 . 5.000 3.573 3.433 3.702 . 0 0 "[ . 1 . 2]" 1
771 1 94 LYS QB 1 94 LYS QD 1.800 . 3.630 2.198 2.123 2.334 . 0 0 "[ . 1 . 2]" 1
772 1 94 LYS QB 1 94 LYS QE 1.800 . 4.860 2.943 2.103 3.672 . 0 0 "[ . 1 . 2]" 1
773 1 94 LYS QB 1 95 THR MG 1.800 . 5.140 3.355 2.937 5.177 0.037 14 0 "[ . 1 . 2]" 1
774 1 94 LYS QE 1 94 LYS QG 1.800 . 3.580 2.276 2.127 2.912 . 0 0 "[ . 1 . 2]" 1
775 1 94 LYS H 1 94 LYS QB 1.800 . 3.550 2.341 2.263 2.417 . 0 0 "[ . 1 . 2]" 1
776 1 94 LYS H 1 94 LYS QD 1.800 . 5.360 4.047 3.579 4.745 . 0 0 "[ . 1 . 2]" 1
777 1 94 LYS H 1 94 LYS HG3 1.800 . 4.830 3.012 2.220 4.458 . 0 0 "[ . 1 . 2]" 1
778 1 94 LYS H 1 94 LYS HG2 1.800 . 4.830 3.750 2.142 4.506 . 0 0 "[ . 1 . 2]" 1
779 1 94 LYS H 1 95 THR H 1.800 . 3.990 2.683 2.593 2.827 . 0 0 "[ . 1 . 2]" 1
780 1 95 THR HA 1 95 THR MG 1.800 . 3.920 2.309 2.242 2.419 . 0 0 "[ . 1 . 2]" 1
781 1 95 THR HA 1 98 LEU QB 1.800 . 4.770 2.842 2.431 4.455 . 0 0 "[ . 1 . 2]" 1
782 1 95 THR HA 1 98 LEU MD1 1.800 . 5.010 3.388 2.281 4.993 . 0 0 "[ . 1 . 2]" 1
783 1 95 THR HA 1 98 LEU HG 1.800 . 5.970 4.574 2.497 5.782 . 0 0 "[ . 1 . 2]" 1
784 1 95 THR HA 1 98 LEU H 1.800 . 5.000 3.495 3.302 3.675 . 0 0 "[ . 1 . 2]" 1
785 1 95 THR HB 1 98 LEU MD1 1.800 . 6.000 5.227 3.965 6.063 0.063 5 0 "[ . 1 . 2]" 1
786 1 95 THR H 1 95 THR MG 1.800 . 4.220 2.459 2.143 3.767 . 0 0 "[ . 1 . 2]" 1
787 1 95 THR H 1 96 ARG H 1.800 . 4.350 2.653 2.568 2.802 . 0 0 "[ . 1 . 2]" 1
788 1 96 ARG HA 1 96 ARG HE 1.800 . 5.210 4.545 2.381 5.445 0.235 4 0 "[ . 1 . 2]" 1
789 1 96 ARG HA 1 96 ARG QG 1.800 . 3.830 2.450 2.284 2.630 . 0 0 "[ . 1 . 2]" 1
790 1 96 ARG HA 1 99 ALA MB 1.800 . 4.100 2.672 2.182 3.057 . 0 0 "[ . 1 . 2]" 1
791 1 96 ARG HA 1 99 ALA H 1.800 . 4.860 3.466 3.237 3.692 . 0 0 "[ . 1 . 2]" 1
792 1 96 ARG QB 1 97 ALA HA 1.800 . 4.630 3.972 3.875 4.117 . 0 0 "[ . 1 . 2]" 1
793 1 96 ARG QB 1 97 ALA H 1.800 . 4.570 2.559 2.413 3.042 . 0 0 "[ . 1 . 2]" 1
794 1 96 ARG QG 1 97 ALA H 1.800 . 5.100 3.977 3.593 4.254 . 0 0 "[ . 1 . 2]" 1
795 1 96 ARG H 1 96 ARG HB3 1.800 . 4.210 3.211 2.568 3.611 . 0 0 "[ . 1 . 2]" 1
796 1 96 ARG H 1 96 ARG HB2 1.800 . 4.210 2.417 2.349 2.567 . 0 0 "[ . 1 . 2]" 1
797 1 96 ARG H 1 96 ARG QG 1.800 . 4.370 3.030 2.312 4.082 . 0 0 "[ . 1 . 2]" 1
798 1 97 ALA MB 1 98 LEU H 1.800 . 4.050 2.466 2.299 2.653 . 0 0 "[ . 1 . 2]" 1
799 1 97 ALA H 1 97 ALA MB 1.800 . 3.480 2.233 2.197 2.271 . 0 0 "[ . 1 . 2]" 1
800 1 97 ALA H 1 98 LEU H 1.800 . 4.080 2.666 2.486 2.808 . 0 0 "[ . 1 . 2]" 1
801 1 98 LEU HA 1 98 LEU MD1 1.800 . 4.610 3.547 2.276 3.843 . 0 0 "[ . 1 . 2]" 1
802 1 98 LEU HA 1 98 LEU MD2 1.800 . 3.710 2.636 2.123 4.011 0.301 6 0 "[ . 1 . 2]" 1
803 1 98 LEU HA 1 101 LEU QD 1.800 . 4.710 3.397 2.069 4.783 0.073 14 0 "[ . 1 . 2]" 1
804 1 98 LEU QB 1 98 LEU MD2 1.800 . 3.690 2.195 2.109 2.258 . 0 0 "[ . 1 . 2]" 1
805 1 98 LEU HB3 1 98 LEU MD1 1.800 . 4.170 2.514 2.328 3.108 . 0 0 "[ . 1 . 2]" 1
806 1 98 LEU HB2 1 98 LEU MD1 1.800 . 4.170 2.381 2.195 3.208 . 0 0 "[ . 1 . 2]" 1
807 1 98 LEU H 1 98 LEU QB 1.800 . 3.730 2.297 2.138 2.704 . 0 0 "[ . 1 . 2]" 1
808 1 98 LEU H 1 98 LEU MD1 1.800 . 4.860 3.895 3.430 4.291 . 0 0 "[ . 1 . 2]" 1
809 1 98 LEU H 1 98 LEU MD2 1.800 . 5.060 3.800 2.796 4.254 . 0 0 "[ . 1 . 2]" 1
810 1 98 LEU H 1 98 LEU HG 1.800 . 4.510 3.402 1.835 4.596 0.086 5 0 "[ . 1 . 2]" 1
811 1 98 LEU H 1 99 ALA H 1.800 . 4.290 2.650 2.270 2.741 . 0 0 "[ . 1 . 2]" 1
812 1 99 ALA MB 1 100 ARG H 1.800 . 4.270 2.550 2.223 3.158 . 0 0 "[ . 1 . 2]" 1
813 1 100 ARG H 1 100 ARG QG 1.800 . 4.750 2.653 1.863 4.073 . 0 0 "[ . 1 . 2]" 1
814 1 101 LEU HA 1 101 LEU QD 1.800 . 3.580 2.203 1.971 3.375 . 0 0 "[ . 1 . 2]" 1
815 1 101 LEU HA 1 101 LEU MD1 1.800 . 4.410 3.183 2.088 4.072 . 0 0 "[ . 1 . 2]" 1
816 1 101 LEU HA 1 101 LEU MD2 1.800 . 4.410 2.806 2.102 3.834 . 0 0 "[ . 1 . 2]" 1
817 1 101 LEU HA 1 101 LEU HG 1.800 . 4.140 2.951 2.358 3.634 . 0 0 "[ . 1 . 2]" 1
818 1 101 LEU QD 1 102 GLU H 1.800 . 5.210 3.424 1.785 4.345 0.015 14 0 "[ . 1 . 2]" 1
819 1 101 LEU HG 1 102 GLU H 1.800 . 5.560 4.204 1.832 5.362 . 0 0 "[ . 1 . 2]" 1
820 1 101 LEU H 1 101 LEU QB 1.800 . 3.920 2.925 2.259 3.370 . 0 0 "[ . 1 . 2]" 1
821 1 101 LEU H 1 101 LEU QD 1.800 . 4.590 3.137 1.973 4.075 . 0 0 "[ . 1 . 2]" 1
822 1 101 LEU H 1 101 LEU MD1 1.800 . 5.370 3.878 2.279 4.339 . 0 0 "[ . 1 . 2]" 1
823 1 101 LEU H 1 101 LEU MD2 1.800 . 5.370 3.592 1.984 5.005 . 0 0 "[ . 1 . 2]" 1
824 1 101 LEU H 1 101 LEU HG 1.800 . 4.580 3.283 1.835 4.815 0.235 4 0 "[ . 1 . 2]" 1
825 1 102 GLU HA 1 103 HIS H 1.800 . 3.610 2.413 2.101 3.403 . 0 0 "[ . 1 . 2]" 1
826 1 102 GLU QG 1 103 HIS H 1.800 . 5.180 3.906 1.955 4.765 . 0 0 "[ . 1 . 2]" 1
827 1 102 GLU H 1 102 GLU QG 1.800 . 4.860 2.915 1.797 4.161 0.003 12 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 78
_Distance_constraint_stats_list.Viol_count 264
_Distance_constraint_stats_list.Viol_total 235.721
_Distance_constraint_stats_list.Viol_max 0.225
_Distance_constraint_stats_list.Viol_rms 0.0229
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0076
_Distance_constraint_stats_list.Viol_average_violations_only 0.0446
_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 30 ASP 0.855 0.132 6 0 "[ . 1 . 2]"
1 32 ALA 0.250 0.058 8 0 "[ . 1 . 2]"
1 34 VAL 0.447 0.074 20 0 "[ . 1 . 2]"
1 36 LEU 1.590 0.109 16 0 "[ . 1 . 2]"
1 38 GLY 0.156 0.058 9 0 "[ . 1 . 2]"
1 41 LYS 1.001 0.190 16 0 "[ . 1 . 2]"
1 42 ALA 0.216 0.071 1 0 "[ . 1 . 2]"
1 43 HIS 0.497 0.074 14 0 "[ . 1 . 2]"
1 44 LEU 0.279 0.067 5 0 "[ . 1 . 2]"
1 45 GLU 0.848 0.153 8 0 "[ . 1 . 2]"
1 46 GLY 0.216 0.071 1 0 "[ . 1 . 2]"
1 47 LYS 0.497 0.074 14 0 "[ . 1 . 2]"
1 48 LEU 0.413 0.067 5 0 "[ . 1 . 2]"
1 49 ALA 1.037 0.153 8 0 "[ . 1 . 2]"
1 50 GLU 0.150 0.049 1 0 "[ . 1 . 2]"
1 51 TYR 0.037 0.035 5 0 "[ . 1 . 2]"
1 52 ILE 0.181 0.049 8 0 "[ . 1 . 2]"
1 53 SER 0.210 0.085 7 0 "[ . 1 . 2]"
1 54 LEU 0.189 0.049 1 0 "[ . 1 . 2]"
1 55 ALA 0.042 0.035 5 0 "[ . 1 . 2]"
1 56 LYS 0.047 0.022 4 0 "[ . 1 . 2]"
1 57 GLN 0.021 0.014 2 0 "[ . 1 . 2]"
1 58 VAL 0.040 0.029 12 0 "[ . 1 . 2]"
1 59 TYR 0.005 0.005 9 0 "[ . 1 . 2]"
1 63 GLU 0.389 0.154 11 0 "[ . 1 . 2]"
1 65 GLU 0.327 0.107 14 0 "[ . 1 . 2]"
1 67 ALA 0.652 0.107 6 0 "[ . 1 . 2]"
1 70 ALA 0.666 0.225 15 0 "[ . 1 . 2]"
1 71 ASP 1.001 0.190 16 0 "[ . 1 . 2]"
1 73 ALA 0.666 0.225 15 0 "[ . 1 . 2]"
1 74 THR 0.156 0.058 9 0 "[ . 1 . 2]"
1 76 LEU 1.590 0.109 16 0 "[ . 1 . 2]"
1 77 HIS 0.652 0.107 6 0 "[ . 1 . 2]"
1 78 ALA 0.447 0.074 20 0 "[ . 1 . 2]"
1 79 ARG 0.327 0.107 14 0 "[ . 1 . 2]"
1 80 PHE 0.250 0.058 8 0 "[ . 1 . 2]"
1 81 LYS 0.389 0.154 11 0 "[ . 1 . 2]"
1 82 PHE 0.855 0.132 6 0 "[ . 1 . 2]"
1 85 SER 0.717 0.123 15 0 "[ . 1 . 2]"
1 86 ALA 0.512 0.070 11 0 "[ . 1 . 2]"
1 87 GLU 1.023 0.106 8 0 "[ . 1 . 2]"
1 88 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.717 0.123 15 0 "[ . 1 . 2]"
1 90 ILE 0.672 0.085 4 0 "[ . 1 . 2]"
1 91 PHE 1.105 0.106 8 0 "[ . 1 . 2]"
1 92 GLU 0.069 0.043 14 0 "[ . 1 . 2]"
1 93 LEU 0.092 0.051 5 0 "[ . 1 . 2]"
1 94 LYS 0.325 0.085 4 0 "[ . 1 . 2]"
1 95 THR 0.105 0.061 14 0 "[ . 1 . 2]"
1 96 ARG 0.216 0.043 14 0 "[ . 1 . 2]"
1 97 ALA 0.092 0.051 5 0 "[ . 1 . 2]"
1 98 LEU 0.166 0.073 6 0 "[ . 1 . 2]"
1 99 ALA 0.023 0.023 9 0 "[ . 1 . 2]"
1 100 ARG 0.147 0.042 9 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 32 ALA H 1 80 PHE O 1.700 . 2.300 1.870 1.712 2.088 . 0 0 "[ . 1 . 2]" 2
2 1 32 ALA N 1 80 PHE O 2.700 2.700 3.300 2.804 2.642 3.059 0.058 8 0 "[ . 1 . 2]" 2
3 1 34 VAL H 1 78 ALA O 1.700 . 2.300 2.009 1.747 2.274 . 0 0 "[ . 1 . 2]" 2
4 1 34 VAL N 1 78 ALA O 2.700 2.700 3.300 2.905 2.723 3.179 . 0 0 "[ . 1 . 2]" 2
5 1 36 LEU H 1 76 LEU O 1.700 . 2.300 2.339 2.096 2.409 0.109 16 0 "[ . 1 . 2]" 2
6 1 36 LEU N 1 76 LEU O 2.700 2.700 3.300 3.269 3.049 3.372 0.072 1 0 "[ . 1 . 2]" 2
7 1 38 GLY H 1 74 THR O 1.700 . 2.300 2.103 1.793 2.358 0.058 9 0 "[ . 1 . 2]" 2
8 1 38 GLY N 1 74 THR O 2.700 2.700 3.300 3.016 2.686 3.291 0.014 4 0 "[ . 1 . 2]" 2
9 1 41 LYS H 1 71 ASP O 1.700 . 2.300 2.317 2.046 2.490 0.190 16 0 "[ . 1 . 2]" 2
10 1 41 LYS N 1 71 ASP O 2.700 2.700 3.300 3.151 2.942 3.315 0.015 8 0 "[ . 1 . 2]" 2
11 1 41 LYS O 1 45 GLU H 1.700 . 2.300 1.940 1.759 2.243 . 0 0 "[ . 1 . 2]" 2
12 1 41 LYS O 1 45 GLU N 2.700 2.700 3.300 2.884 2.712 3.161 . 0 0 "[ . 1 . 2]" 2
13 1 42 ALA O 1 46 GLY H 1.700 . 2.300 2.250 2.009 2.371 0.071 1 0 "[ . 1 . 2]" 2
14 1 42 ALA O 1 46 GLY N 2.700 2.700 3.300 3.156 2.811 3.308 0.008 8 0 "[ . 1 . 2]" 2
15 1 43 HIS O 1 47 LYS H 1.700 . 2.300 2.249 1.911 2.374 0.074 14 0 "[ . 1 . 2]" 2
16 1 43 HIS O 1 47 LYS N 2.700 2.700 3.300 3.201 2.860 3.320 0.020 13 0 "[ . 1 . 2]" 2
17 1 44 LEU O 1 48 LEU H 1.700 . 2.300 1.938 1.745 2.199 . 0 0 "[ . 1 . 2]" 2
18 1 44 LEU O 1 48 LEU N 2.700 2.700 3.300 2.787 2.633 3.033 0.067 5 0 "[ . 1 . 2]" 2
19 1 45 GLU O 1 49 ALA H 1.700 . 2.300 2.282 1.958 2.453 0.153 8 0 "[ . 1 . 2]" 2
20 1 45 GLU O 1 49 ALA N 2.700 2.700 3.300 3.165 2.870 3.316 0.016 11 0 "[ . 1 . 2]" 2
21 1 48 LEU O 1 52 ILE H 1.700 . 2.300 2.148 1.897 2.349 0.049 8 0 "[ . 1 . 2]" 2
22 1 48 LEU O 1 52 ILE N 2.700 2.700 3.300 3.098 2.868 3.294 . 0 0 "[ . 1 . 2]" 2
23 1 49 ALA O 1 53 SER H 1.700 . 2.300 2.160 1.892 2.385 0.085 7 0 "[ . 1 . 2]" 2
24 1 49 ALA O 1 53 SER N 2.700 2.700 3.300 3.101 2.841 3.332 0.032 7 0 "[ . 1 . 2]" 2
25 1 50 GLU O 1 54 LEU H 1.700 . 2.300 2.081 1.786 2.349 0.049 1 0 "[ . 1 . 2]" 2
26 1 50 GLU O 1 54 LEU N 2.700 2.700 3.300 3.032 2.712 3.320 0.020 19 0 "[ . 1 . 2]" 2
27 1 51 TYR O 1 55 ALA H 1.700 . 2.300 2.052 1.806 2.335 0.035 5 0 "[ . 1 . 2]" 2
28 1 51 TYR O 1 55 ALA N 2.700 2.700 3.300 2.970 2.699 3.245 0.001 10 0 "[ . 1 . 2]" 2
29 1 52 ILE O 1 56 LYS H 1.700 . 2.300 2.003 1.751 2.256 . 0 0 "[ . 1 . 2]" 2
30 1 52 ILE O 1 56 LYS N 2.700 2.700 3.300 2.934 2.678 3.203 0.022 4 0 "[ . 1 . 2]" 2
31 1 53 SER O 1 57 GLN H 1.700 . 2.300 2.171 1.922 2.314 0.014 2 0 "[ . 1 . 2]" 2
32 1 53 SER O 1 57 GLN N 2.700 2.700 3.300 3.116 2.879 3.262 . 0 0 "[ . 1 . 2]" 2
33 1 54 LEU O 1 58 VAL H 1.700 . 2.300 1.919 1.703 2.241 . 0 0 "[ . 1 . 2]" 2
34 1 54 LEU O 1 58 VAL N 2.700 2.700 3.300 2.878 2.671 3.196 0.029 12 0 "[ . 1 . 2]" 2
35 1 55 ALA O 1 59 TYR H 1.700 . 2.300 1.866 1.751 2.019 . 0 0 "[ . 1 . 2]" 2
36 1 55 ALA O 1 59 TYR N 2.700 2.700 3.300 2.814 2.695 2.972 0.005 9 0 "[ . 1 . 2]" 2
37 1 65 GLU H 1 79 ARG O 1.700 . 2.300 2.214 1.968 2.407 0.107 14 0 "[ . 1 . 2]" 2
38 1 65 GLU N 1 79 ARG O 2.700 2.700 3.300 3.126 2.912 3.312 0.012 6 0 "[ . 1 . 2]" 2
39 1 67 ALA H 1 77 HIS O 1.700 . 2.300 2.291 2.061 2.407 0.107 6 0 "[ . 1 . 2]" 2
40 1 67 ALA N 1 77 HIS O 2.700 2.700 3.300 3.208 2.998 3.336 0.036 6 0 "[ . 1 . 2]" 2
41 1 70 ALA O 1 73 ALA H 1.700 . 2.300 2.209 2.022 2.525 0.225 15 0 "[ . 1 . 2]" 2
42 1 70 ALA O 1 73 ALA N 2.700 2.700 3.300 3.078 2.924 3.314 0.014 20 0 "[ . 1 . 2]" 2
43 1 36 LEU O 1 76 LEU H 1.700 . 2.300 2.129 1.783 2.364 0.064 16 0 "[ . 1 . 2]" 2
44 1 36 LEU O 1 76 LEU N 2.700 2.700 3.300 3.007 2.709 3.312 0.012 14 0 "[ . 1 . 2]" 2
45 1 34 VAL O 1 78 ALA H 1.700 . 2.300 2.231 1.945 2.374 0.074 20 0 "[ . 1 . 2]" 2
46 1 34 VAL O 1 78 ALA N 2.700 2.700 3.300 3.150 2.826 3.328 0.028 18 0 "[ . 1 . 2]" 2
47 1 65 GLU O 1 79 ARG H 1.700 . 2.300 2.083 1.889 2.321 0.021 6 0 "[ . 1 . 2]" 2
48 1 65 GLU O 1 79 ARG N 2.700 2.700 3.300 3.024 2.844 3.271 . 0 0 "[ . 1 . 2]" 2
49 1 32 ALA O 1 80 PHE H 1.700 . 2.300 2.075 1.819 2.354 0.054 19 0 "[ . 1 . 2]" 2
50 1 32 ALA O 1 80 PHE N 2.700 2.700 3.300 3.028 2.754 3.301 0.001 19 0 "[ . 1 . 2]" 2
51 1 63 GLU O 1 81 LYS H 1.700 . 2.300 2.187 1.825 2.454 0.154 11 0 "[ . 1 . 2]" 2
52 1 63 GLU O 1 81 LYS N 2.700 2.700 3.300 3.051 2.712 3.343 0.043 11 0 "[ . 1 . 2]" 2
53 1 30 ASP O 1 82 PHE H 1.700 . 2.300 2.274 1.918 2.432 0.132 6 0 "[ . 1 . 2]" 2
54 1 30 ASP O 1 82 PHE N 2.700 2.700 3.300 3.162 2.703 3.325 0.025 11 0 "[ . 1 . 2]" 2
55 1 85 SER O 1 89 LEU H 1.700 . 2.300 2.282 2.034 2.423 0.123 15 0 "[ . 1 . 2]" 2
56 1 85 SER O 1 89 LEU N 2.700 2.700 3.300 3.213 2.992 3.332 0.032 15 0 "[ . 1 . 2]" 2
57 1 86 ALA O 1 90 ILE H 1.700 . 2.300 2.262 1.976 2.370 0.070 11 0 "[ . 1 . 2]" 2
58 1 86 ALA O 1 90 ILE N 2.700 2.700 3.300 3.231 2.949 3.350 0.050 11 0 "[ . 1 . 2]" 2
59 1 87 GLU O 1 91 PHE H 1.700 . 2.300 1.739 1.699 1.895 0.001 8 0 "[ . 1 . 2]" 2
60 1 87 GLU O 1 91 PHE N 2.700 2.700 3.300 2.658 2.594 2.842 0.106 8 0 "[ . 1 . 2]" 2
61 1 88 LYS O 1 92 GLU H 1.700 . 2.300 1.871 1.777 2.065 . 0 0 "[ . 1 . 2]" 2
62 1 88 LYS O 1 92 GLU N 2.700 2.700 3.300 2.809 2.703 3.022 . 0 0 "[ . 1 . 2]" 2
63 1 89 LEU O 1 93 LEU H 1.700 . 2.300 2.084 1.883 2.283 . 0 0 "[ . 1 . 2]" 2
64 1 89 LEU O 1 93 LEU N 2.700 2.700 3.300 2.985 2.773 3.260 . 0 0 "[ . 1 . 2]" 2
65 1 90 ILE O 1 94 LYS H 1.700 . 2.300 1.993 1.723 2.293 . 0 0 "[ . 1 . 2]" 2
66 1 90 ILE O 1 94 LYS N 2.700 2.700 3.300 2.937 2.615 3.235 0.085 4 0 "[ . 1 . 2]" 2
67 1 91 PHE O 1 95 THR H 1.700 . 2.300 1.992 1.717 2.321 0.021 10 0 "[ . 1 . 2]" 2
68 1 91 PHE O 1 95 THR N 2.700 2.700 3.300 2.934 2.639 3.271 0.061 14 0 "[ . 1 . 2]" 2
69 1 92 GLU O 1 96 ARG H 1.700 . 2.300 1.909 1.743 2.254 . 0 0 "[ . 1 . 2]" 2
70 1 92 GLU O 1 96 ARG N 2.700 2.700 3.300 2.831 2.657 3.228 0.043 14 0 "[ . 1 . 2]" 2
71 1 93 LEU O 1 97 ALA H 1.700 . 2.300 2.063 1.777 2.351 0.051 5 0 "[ . 1 . 2]" 2
72 1 93 LEU O 1 97 ALA N 2.700 2.700 3.300 2.968 2.698 3.281 0.002 2 0 "[ . 1 . 2]" 2
73 1 94 LYS O 1 98 LEU H 1.700 . 2.300 2.142 1.859 2.373 0.073 6 0 "[ . 1 . 2]" 2
74 1 94 LYS O 1 98 LEU N 2.700 2.700 3.300 3.063 2.766 3.304 0.004 6 0 "[ . 1 . 2]" 2
75 1 95 THR O 1 99 ALA H 1.700 . 2.300 2.066 1.793 2.323 0.023 9 0 "[ . 1 . 2]" 2
76 1 95 THR O 1 99 ALA N 2.700 2.700 3.300 2.996 2.715 3.267 . 0 0 "[ . 1 . 2]" 2
77 1 96 ARG O 1 100 ARG H 1.700 . 2.300 1.985 1.726 2.342 0.042 9 0 "[ . 1 . 2]" 2
78 1 96 ARG O 1 100 ARG N 2.700 2.700 3.300 2.867 2.659 3.185 0.041 16 0 "[ . 1 . 2]" 2
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