NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
533571 |
2kzv   |
17020 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kzv
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 847
_Distance_constraint_stats_list.Viol_count 360
_Distance_constraint_stats_list.Viol_total 460.975
_Distance_constraint_stats_list.Viol_max 0.282
_Distance_constraint_stats_list.Viol_rms 0.0124
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0640
_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 3 HIS 0.012 0.012 15 0 "[ . 1 . 2]"
1 4 LYS 0.058 0.046 13 0 "[ . 1 . 2]"
1 5 GLU 0.354 0.099 1 0 "[ . 1 . 2]"
1 6 LYS 0.284 0.062 1 0 "[ . 1 . 2]"
1 7 HIS 0.012 0.012 5 0 "[ . 1 . 2]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.280 0.056 19 0 "[ . 1 . 2]"
1 10 GLN 0.151 0.039 15 0 "[ . 1 . 2]"
1 11 ASP 0.125 0.086 5 0 "[ . 1 . 2]"
1 12 MET 0.415 0.090 7 0 "[ . 1 . 2]"
1 13 PHE 0.368 0.088 16 0 "[ . 1 . 2]"
1 14 THR 0.204 0.086 5 0 "[ . 1 . 2]"
1 15 SER 0.531 0.131 3 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ILE 0.256 0.058 7 0 "[ . 1 . 2]"
1 18 GLU 0.273 0.073 14 0 "[ . 1 . 2]"
1 19 ALA 0.039 0.024 3 0 "[ . 1 . 2]"
1 20 VAL 0.442 0.078 6 0 "[ . 1 . 2]"
1 21 ALA 0.554 0.132 20 0 "[ . 1 . 2]"
1 22 ARG 0.079 0.040 8 0 "[ . 1 . 2]"
1 23 ASP 0.157 0.078 17 0 "[ . 1 . 2]"
1 24 SER 0.359 0.088 18 0 "[ . 1 . 2]"
1 25 GLY 0.281 0.088 18 0 "[ . 1 . 2]"
1 26 TRP 1.211 0.252 7 0 "[ . 1 . 2]"
1 27 ALA 0.507 0.074 10 0 "[ . 1 . 2]"
1 28 GLU 0.601 0.226 14 0 "[ . 1 . 2]"
1 29 LEU 2.287 0.282 18 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 0.576 0.226 14 0 "[ . 1 . 2]"
1 32 VAL 0.125 0.074 10 0 "[ . 1 . 2]"
1 33 GLY 0.575 0.141 11 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 TYR 0.631 0.131 3 0 "[ . 1 . 2]"
1 36 LEU 0.483 0.090 7 0 "[ . 1 . 2]"
1 37 ALA 0.248 0.075 14 0 "[ . 1 . 2]"
1 38 LYS 0.158 0.052 14 0 "[ . 1 . 2]"
1 39 ASN 0.143 0.052 14 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PRO 0.013 0.013 7 0 "[ . 1 . 2]"
1 42 SER 0.013 0.013 7 0 "[ . 1 . 2]"
1 43 PHE 0.772 0.128 16 0 "[ . 1 . 2]"
1 44 ASP 0.183 0.064 20 0 "[ . 1 . 2]"
1 45 PRO 0.576 0.092 8 0 "[ . 1 . 2]"
1 46 ARG 0.139 0.120 2 0 "[ . 1 . 2]"
1 47 ASN 0.062 0.062 9 0 "[ . 1 . 2]"
1 48 TRP 1.143 0.243 6 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 0.260 0.120 9 0 "[ . 1 . 2]"
1 52 ARG 0.442 0.120 9 0 "[ . 1 . 2]"
1 53 LEU 1.084 0.243 6 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLN 0.131 0.105 20 0 "[ . 1 . 2]"
1 56 MET 0.121 0.121 6 0 "[ . 1 . 2]"
1 57 VAL 0.572 0.169 15 0 "[ . 1 . 2]"
1 58 LYS 0.337 0.198 15 0 "[ . 1 . 2]"
1 59 LYS 0.040 0.025 17 0 "[ . 1 . 2]"
1 60 LEU 0.497 0.111 15 0 "[ . 1 . 2]"
1 61 ASP 0.212 0.108 15 0 "[ . 1 . 2]"
1 62 PHE 1.573 0.205 15 0 "[ . 1 . 2]"
1 63 LEU 2.636 0.264 17 0 "[ . 1 . 2]"
1 64 THR 0.228 0.098 19 0 "[ . 1 . 2]"
1 65 VAL 0.803 0.198 15 0 "[ . 1 . 2]"
1 66 GLN 0.309 0.109 18 0 "[ . 1 . 2]"
1 67 GLU 3.719 0.263 14 0 "[ . 1 . 2]"
1 68 SER 0.459 0.132 18 0 "[ . 1 . 2]"
1 69 ARG 0.006 0.006 18 0 "[ . 1 . 2]"
1 70 ASN 0.006 0.006 18 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 0.170 0.084 20 0 "[ . 1 . 2]"
1 74 LEU 2.377 0.194 5 0 "[ . 1 . 2]"
1 75 HIS 0.199 0.132 18 0 "[ . 1 . 2]"
1 76 SER 3.056 0.263 14 0 "[ . 1 . 2]"
1 77 GLU 0.552 0.183 18 0 "[ . 1 . 2]"
1 78 ILE 1.405 0.282 18 0 "[ . 1 . 2]"
1 79 ARG 0.502 0.252 7 0 "[ . 1 . 2]"
1 80 LEU 0.966 0.184 11 0 "[ . 1 . 2]"
1 81 ARG 1.433 0.264 17 0 "[ . 1 . 2]"
1 82 HIS 0.016 0.016 19 0 "[ . 1 . 2]"
1 83 ASP 0.138 0.038 4 0 "[ . 1 . 2]"
1 84 GLY 0.122 0.038 4 0 "[ . 1 . 2]"
1 85 LEU 0.712 0.249 18 0 "[ . 1 . 2]"
1 86 GLU 0.573 0.158 8 0 "[ . 1 . 2]"
1 87 HIS 0.757 0.158 8 0 "[ . 1 . 2]"
1 88 HIS 0.386 0.140 20 0 "[ . 1 . 2]"
1 89 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 HIS 0.906 0.123 19 0 "[ . 1 . 2]"
1 92 HIS 0.906 0.123 19 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 3 HIS HA 1 4 LYS H 1.800 . 3.600 2.968 2.194 3.583 . 0 0 "[ . 1 . 2]" 1
2 1 3 HIS QB 1 4 LYS H 1.800 . 4.260 2.891 1.788 3.970 0.012 15 0 "[ . 1 . 2]" 1
3 1 4 LYS HA 1 4 LYS QD 1.800 . 4.800 3.578 2.197 4.275 . 0 0 "[ . 1 . 2]" 1
4 1 4 LYS HA 1 5 GLU H 1.800 . 3.600 2.813 2.182 3.580 . 0 0 "[ . 1 . 2]" 1
5 1 4 LYS QB 1 5 GLU H 1.800 . 4.080 3.078 1.855 4.030 . 0 0 "[ . 1 . 2]" 1
6 1 4 LYS QG 1 5 GLU H 1.800 . 5.090 3.924 2.512 4.665 . 0 0 "[ . 1 . 2]" 1
7 1 4 LYS H 1 4 LYS QB 1.800 . 3.450 2.675 2.242 3.331 . 0 0 "[ . 1 . 2]" 1
8 1 4 LYS H 1 4 LYS QG 1.800 . 4.280 3.001 1.837 4.326 0.046 13 0 "[ . 1 . 2]" 1
9 1 5 GLU HA 1 6 LYS H 1.800 . 3.500 2.894 2.182 3.562 0.062 1 0 "[ . 1 . 2]" 1
10 1 5 GLU QB 1 6 LYS H 1.800 . 4.100 3.006 1.769 4.049 0.031 7 0 "[ . 1 . 2]" 1
11 1 5 GLU QG 1 6 LYS H 1.800 . 4.800 3.519 2.031 4.480 . 0 0 "[ . 1 . 2]" 1
12 1 5 GLU H 1 5 GLU QB 1.800 . 3.300 2.607 2.270 3.228 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLU H 1 5 GLU QG 1.800 . 4.350 3.040 1.782 4.449 0.099 1 0 "[ . 1 . 2]" 1
14 1 6 LYS HA 1 6 LYS QG 1.800 . 3.890 2.486 2.308 3.311 . 0 0 "[ . 1 . 2]" 1
15 1 6 LYS HA 1 7 HIS H 1.800 . 3.600 3.038 2.145 3.577 . 0 0 "[ . 1 . 2]" 1
16 1 6 LYS QB 1 6 LYS QE 1.800 . 4.440 2.959 2.150 3.651 . 0 0 "[ . 1 . 2]" 1
17 1 6 LYS QB 1 7 HIS H 1.800 . 4.170 2.920 1.788 3.815 0.012 5 0 "[ . 1 . 2]" 1
18 1 6 LYS QG 1 7 HIS H 1.800 . 5.330 4.030 2.779 4.573 . 0 0 "[ . 1 . 2]" 1
19 1 6 LYS H 1 6 LYS QB 1.800 . 3.300 2.586 2.178 3.302 0.002 1 0 "[ . 1 . 2]" 1
20 1 6 LYS H 1 6 LYS QG 1.800 . 4.300 2.852 1.766 4.186 0.034 4 0 "[ . 1 . 2]" 1
21 1 7 HIS QB 1 8 PRO HA 1.800 . 5.040 4.534 3.911 5.029 . 0 0 "[ . 1 . 2]" 1
22 1 7 HIS H 1 7 HIS QB 1.800 . 3.920 2.633 2.094 3.474 . 0 0 "[ . 1 . 2]" 1
23 1 8 PRO HA 1 11 ASP QB 1.800 . 5.290 4.635 4.418 5.035 . 0 0 "[ . 1 . 2]" 1
24 1 8 PRO HA 1 11 ASP H 1.800 . 5.250 4.569 4.454 4.713 . 0 0 "[ . 1 . 2]" 1
25 1 8 PRO QB 1 11 ASP H 1.800 . 5.290 2.211 2.022 2.484 . 0 0 "[ . 1 . 2]" 1
26 1 8 PRO QG 1 11 ASP QB 1.800 . 4.870 2.941 2.304 3.491 . 0 0 "[ . 1 . 2]" 1
27 1 8 PRO QG 1 11 ASP H 1.800 . 5.710 4.037 3.600 4.341 . 0 0 "[ . 1 . 2]" 1
28 1 9 LEU HA 1 10 GLN H 1.800 . 3.800 3.558 3.549 3.574 . 0 0 "[ . 1 . 2]" 1
29 1 9 LEU HA 1 12 MET QB 1.800 . 4.610 2.554 2.284 2.857 . 0 0 "[ . 1 . 2]" 1
30 1 9 LEU HA 1 12 MET H 1.800 . 4.460 3.368 3.229 3.536 . 0 0 "[ . 1 . 2]" 1
31 1 9 LEU HA 1 9 LEU QD 1.800 . 3.520 2.256 2.049 2.497 . 0 0 "[ . 1 . 2]" 1
32 1 9 LEU HA 1 9 LEU MD1 1.800 . 4.850 3.280 2.165 3.867 . 0 0 "[ . 1 . 2]" 1
33 1 9 LEU HA 1 9 LEU MD2 1.800 . 4.850 2.759 2.182 3.829 . 0 0 "[ . 1 . 2]" 1
34 1 9 LEU HA 1 9 LEU HG 1.800 . 4.190 2.912 2.401 3.694 . 0 0 "[ . 1 . 2]" 1
35 1 9 LEU QB 1 60 LEU MD1 1.800 . 5.400 3.185 2.366 3.926 . 0 0 "[ . 1 . 2]" 1
36 1 9 LEU QB 1 62 PHE QE 1.800 . 6.050 3.671 3.007 4.125 . 0 0 "[ . 1 . 2]" 1
37 1 9 LEU HB3 1 10 GLN H 1.800 . 4.550 3.540 2.554 3.792 . 0 0 "[ . 1 . 2]" 1
38 1 9 LEU HB3 1 62 PHE HZ 1.800 . 5.610 3.365 2.633 4.081 . 0 0 "[ . 1 . 2]" 1
39 1 9 LEU HB2 1 10 GLN H 1.800 . 4.550 2.671 2.514 3.860 . 0 0 "[ . 1 . 2]" 1
40 1 9 LEU HB2 1 62 PHE HZ 1.800 . 5.610 3.148 2.528 4.744 . 0 0 "[ . 1 . 2]" 1
41 1 9 LEU MD1 1 60 LEU MD1 1.800 . 4.860 3.405 2.092 4.896 0.036 14 0 "[ . 1 . 2]" 1
42 1 9 LEU MD1 1 62 PHE HZ 1.800 . 5.000 4.044 3.207 5.056 0.056 19 0 "[ . 1 . 2]" 1
43 1 9 LEU MD2 1 60 LEU MD1 1.800 . 5.420 3.457 2.003 4.959 . 0 0 "[ . 1 . 2]" 1
44 1 9 LEU MD2 1 62 PHE QE 1.800 . 6.050 5.108 3.587 5.917 . 0 0 "[ . 1 . 2]" 1
45 1 9 LEU MD2 1 62 PHE HZ 1.800 . 5.400 4.510 2.490 5.436 0.036 7 0 "[ . 1 . 2]" 1
46 1 9 LEU H 1 9 LEU HG 1.800 . 5.400 2.771 1.887 4.485 . 0 0 "[ . 1 . 2]" 1
47 1 10 GLN HA 1 11 ASP H 1.800 . 3.800 3.567 3.548 3.594 . 0 0 "[ . 1 . 2]" 1
48 1 10 GLN HA 1 13 PHE QB 1.800 . 4.000 3.233 2.740 3.769 . 0 0 "[ . 1 . 2]" 1
49 1 10 GLN HA 1 13 PHE H 1.800 . 4.300 3.750 3.422 4.095 . 0 0 "[ . 1 . 2]" 1
50 1 10 GLN HA 1 62 PHE QE 1.800 . 4.760 2.494 2.385 2.811 . 0 0 "[ . 1 . 2]" 1
51 1 10 GLN HA 1 62 PHE HZ 1.800 . 4.920 4.164 3.592 4.502 . 0 0 "[ . 1 . 2]" 1
52 1 10 GLN HA 1 80 LEU MD1 1.800 . 5.640 5.013 4.204 5.679 0.039 15 0 "[ . 1 . 2]" 1
53 1 10 GLN HA 1 80 LEU MD2 1.800 . 4.290 3.323 2.319 4.030 . 0 0 "[ . 1 . 2]" 1
54 1 10 GLN HB3 1 62 PHE QE 1.800 . 5.400 4.519 3.888 5.033 . 0 0 "[ . 1 . 2]" 1
55 1 10 GLN HB2 1 62 PHE QE 1.800 . 5.400 3.068 2.384 3.608 . 0 0 "[ . 1 . 2]" 1
56 1 10 GLN HE21 1 80 LEU MD1 1.800 . 5.180 3.022 1.985 4.013 . 0 0 "[ . 1 . 2]" 1
57 1 10 GLN HE21 1 80 LEU MD2 1.800 . 4.410 3.288 2.391 4.082 . 0 0 "[ . 1 . 2]" 1
58 1 10 GLN HE22 1 80 LEU MD1 1.800 . 5.180 4.055 3.152 5.000 . 0 0 "[ . 1 . 2]" 1
59 1 10 GLN HE22 1 80 LEU MD2 1.800 . 5.000 4.519 3.291 5.020 0.020 5 0 "[ . 1 . 2]" 1
60 1 10 GLN HG3 1 80 LEU MD2 1.800 . 3.750 2.515 2.248 3.727 . 0 0 "[ . 1 . 2]" 1
61 1 10 GLN HG2 1 80 LEU MD2 1.800 . 3.800 3.286 2.273 3.773 . 0 0 "[ . 1 . 2]" 1
62 1 10 GLN H 1 10 GLN QB 1.800 . 3.670 2.263 2.225 2.279 . 0 0 "[ . 1 . 2]" 1
63 1 10 GLN H 1 80 LEU MD2 1.800 . 6.050 5.637 4.774 6.083 0.033 19 0 "[ . 1 . 2]" 1
64 1 11 ASP HA 1 12 MET H 1.800 . 3.800 3.548 3.492 3.575 . 0 0 "[ . 1 . 2]" 1
65 1 11 ASP HA 1 14 THR HB 1.800 . 4.250 2.646 2.350 4.336 0.086 5 0 "[ . 1 . 2]" 1
66 1 11 ASP HA 1 14 THR H 1.800 . 4.300 3.656 3.447 3.967 . 0 0 "[ . 1 . 2]" 1
67 1 11 ASP QB 1 12 MET H 1.800 . 3.600 2.640 2.491 2.828 . 0 0 "[ . 1 . 2]" 1
68 1 11 ASP H 1 12 MET H 1.800 . 3.890 2.650 2.566 2.724 . 0 0 "[ . 1 . 2]" 1
69 1 12 MET HA 1 12 MET HG3 1.800 . 4.250 2.674 2.422 3.697 . 0 0 "[ . 1 . 2]" 1
70 1 12 MET HA 1 12 MET HG2 1.800 . 4.250 3.015 2.444 3.722 . 0 0 "[ . 1 . 2]" 1
71 1 12 MET HA 1 13 PHE H 1.800 . 3.800 3.594 3.579 3.603 . 0 0 "[ . 1 . 2]" 1
72 1 12 MET HA 1 15 SER QB 1.800 . 4.000 3.426 3.031 4.017 0.017 7 0 "[ . 1 . 2]" 1
73 1 12 MET HA 1 15 SER H 1.800 . 4.300 3.928 3.779 4.082 . 0 0 "[ . 1 . 2]" 1
74 1 12 MET HA 1 36 LEU MD2 1.800 . 4.960 3.354 2.642 4.034 . 0 0 "[ . 1 . 2]" 1
75 1 12 MET QB 1 12 MET ME 1.800 . 4.280 3.025 2.105 3.561 . 0 0 "[ . 1 . 2]" 1
76 1 12 MET QB 1 13 PHE H 1.800 . 3.960 2.283 1.985 2.510 . 0 0 "[ . 1 . 2]" 1
77 1 12 MET HB3 1 36 LEU MD1 1.800 . 6.050 4.257 2.472 5.310 . 0 0 "[ . 1 . 2]" 1
78 1 12 MET HB3 1 36 LEU MD2 1.800 . 4.760 3.828 2.155 4.580 . 0 0 "[ . 1 . 2]" 1
79 1 12 MET HB2 1 36 LEU MD1 1.800 . 6.050 5.030 3.712 5.885 . 0 0 "[ . 1 . 2]" 1
80 1 12 MET HB2 1 36 LEU MD2 1.800 . 4.760 4.282 3.564 4.731 . 0 0 "[ . 1 . 2]" 1
81 1 12 MET ME 1 43 PHE HB3 1.800 . 5.970 5.368 4.265 6.009 0.039 4 0 "[ . 1 . 2]" 1
82 1 12 MET ME 1 43 PHE HB2 1.800 . 5.970 4.633 3.906 5.442 . 0 0 "[ . 1 . 2]" 1
83 1 12 MET ME 1 43 PHE QE 1.800 . 5.980 3.434 2.319 4.445 . 0 0 "[ . 1 . 2]" 1
84 1 12 MET ME 1 43 PHE QD 1.800 . 5.100 3.702 3.101 4.361 . 0 0 "[ . 1 . 2]" 1
85 1 12 MET QG 1 13 PHE H 1.800 . 5.080 3.566 3.177 4.191 . 0 0 "[ . 1 . 2]" 1
86 1 12 MET HG3 1 36 LEU MD1 1.800 . 5.290 3.975 2.409 5.342 0.052 7 0 "[ . 1 . 2]" 1
87 1 12 MET HG3 1 36 LEU MD2 1.800 . 4.110 2.880 2.235 4.200 0.090 7 0 "[ . 1 . 2]" 1
88 1 12 MET HG2 1 36 LEU MD1 1.800 . 5.290 3.397 2.517 5.314 0.024 18 0 "[ . 1 . 2]" 1
89 1 12 MET HG2 1 36 LEU MD2 1.800 . 4.110 2.715 2.230 4.168 0.058 6 0 "[ . 1 . 2]" 1
90 1 12 MET H 1 12 MET QB 1.800 . 3.130 2.277 2.239 2.403 . 0 0 "[ . 1 . 2]" 1
91 1 12 MET H 1 12 MET QG 1.800 . 4.820 3.567 2.154 4.075 . 0 0 "[ . 1 . 2]" 1
92 1 13 PHE HA 1 13 PHE QD 1.800 . 4.610 2.420 2.362 2.694 . 0 0 "[ . 1 . 2]" 1
93 1 13 PHE HA 1 16 ALA MB 1.800 . 3.610 2.774 2.607 2.974 . 0 0 "[ . 1 . 2]" 1
94 1 13 PHE HA 1 16 ALA H 1.800 . 4.820 3.561 3.456 3.660 . 0 0 "[ . 1 . 2]" 1
95 1 13 PHE HA 1 36 LEU MD1 1.800 . 5.020 3.563 3.135 3.986 . 0 0 "[ . 1 . 2]" 1
96 1 13 PHE HA 1 36 LEU MD2 1.800 . 5.240 3.800 3.463 4.242 . 0 0 "[ . 1 . 2]" 1
97 1 13 PHE HA 1 57 VAL MG1 1.800 . 6.050 5.781 5.187 6.138 0.088 16 0 "[ . 1 . 2]" 1
98 1 13 PHE QB 1 14 THR H 1.800 . 4.020 2.568 2.429 2.696 . 0 0 "[ . 1 . 2]" 1
99 1 13 PHE HB3 1 57 VAL MG1 1.800 . 5.690 4.901 4.155 5.365 . 0 0 "[ . 1 . 2]" 1
100 1 13 PHE HB3 1 62 PHE QE 1.800 . 6.050 5.538 5.156 5.860 . 0 0 "[ . 1 . 2]" 1
101 1 13 PHE HB3 1 63 LEU MD1 1.800 . 5.500 3.932 2.919 4.736 . 0 0 "[ . 1 . 2]" 1
102 1 13 PHE HB3 1 63 LEU MD2 1.800 . 5.080 2.970 2.414 4.081 . 0 0 "[ . 1 . 2]" 1
103 1 13 PHE HB3 1 80 LEU MD2 1.800 . 5.380 3.686 2.386 5.158 . 0 0 "[ . 1 . 2]" 1
104 1 13 PHE HB2 1 57 VAL MG1 1.800 . 5.690 5.341 4.742 5.708 0.018 4 0 "[ . 1 . 2]" 1
105 1 13 PHE HB2 1 62 PHE QE 1.800 . 6.050 4.277 4.030 4.587 . 0 0 "[ . 1 . 2]" 1
106 1 13 PHE HB2 1 62 PHE HZ 1.800 . 6.050 5.870 4.599 6.115 0.065 12 0 "[ . 1 . 2]" 1
107 1 13 PHE HB2 1 63 LEU MD1 1.800 . 5.500 3.697 2.816 5.506 0.006 5 0 "[ . 1 . 2]" 1
108 1 13 PHE HB2 1 63 LEU MD2 1.800 . 5.080 3.053 2.680 3.528 . 0 0 "[ . 1 . 2]" 1
109 1 13 PHE HB2 1 80 LEU MD2 1.800 . 5.380 3.356 2.284 4.662 . 0 0 "[ . 1 . 2]" 1
110 1 13 PHE QD 1 32 VAL MG1 1.800 . 4.610 2.628 2.338 3.089 . 0 0 "[ . 1 . 2]" 1
111 1 13 PHE QD 1 36 LEU MD2 1.800 . 5.490 4.787 4.278 5.235 . 0 0 "[ . 1 . 2]" 1
112 1 13 PHE QD 1 60 LEU MD1 1.800 . 5.300 3.880 2.766 5.038 . 0 0 "[ . 1 . 2]" 1
113 1 13 PHE QD 1 62 PHE HZ 1.800 . 4.800 4.275 2.673 4.710 . 0 0 "[ . 1 . 2]" 1
114 1 13 PHE QD 1 63 LEU MD1 1.800 . 5.030 3.100 2.527 4.865 . 0 0 "[ . 1 . 2]" 1
115 1 13 PHE QD 1 78 ILE MD 1.800 . 4.790 2.454 2.092 2.933 . 0 0 "[ . 1 . 2]" 1
116 1 13 PHE H 1 13 PHE QB 1.800 . 3.560 2.401 2.340 2.499 . 0 0 "[ . 1 . 2]" 1
117 1 13 PHE H 1 13 PHE QD 1.800 . 4.590 2.794 2.400 2.963 . 0 0 "[ . 1 . 2]" 1
118 1 13 PHE H 1 36 LEU MD2 1.800 . 5.470 4.664 4.215 5.066 . 0 0 "[ . 1 . 2]" 1
119 1 13 PHE H 1 63 LEU MD2 1.800 . 5.610 5.067 4.668 5.580 . 0 0 "[ . 1 . 2]" 1
120 1 14 THR HA 1 14 THR MG 1.800 . 3.500 2.350 2.290 2.389 . 0 0 "[ . 1 . 2]" 1
121 1 14 THR HA 1 15 SER H 1.800 . 3.800 3.574 3.565 3.580 . 0 0 "[ . 1 . 2]" 1
122 1 14 THR HA 1 17 ILE HB 1.800 . 4.000 2.819 2.627 3.178 . 0 0 "[ . 1 . 2]" 1
123 1 14 THR HA 1 17 ILE H 1.800 . 4.300 3.713 3.538 3.945 . 0 0 "[ . 1 . 2]" 1
124 1 14 THR HA 1 80 LEU MD2 1.800 . 5.170 3.490 2.917 4.271 . 0 0 "[ . 1 . 2]" 1
125 1 14 THR HB 1 15 SER H 1.800 . 4.800 2.578 2.343 3.576 . 0 0 "[ . 1 . 2]" 1
126 1 14 THR HB 1 80 LEU MD2 1.800 . 4.800 4.338 3.880 4.879 0.079 5 0 "[ . 1 . 2]" 1
127 1 14 THR MG 1 15 SER H 1.800 . 4.250 3.424 3.265 3.882 . 0 0 "[ . 1 . 2]" 1
128 1 14 THR MG 1 17 ILE MD 1.800 . 5.140 4.377 3.419 4.844 . 0 0 "[ . 1 . 2]" 1
129 1 14 THR H 1 14 THR HB 1.800 . 4.060 2.658 2.510 3.619 . 0 0 "[ . 1 . 2]" 1
130 1 14 THR H 1 14 THR MG 1.800 . 4.220 3.603 2.069 3.785 . 0 0 "[ . 1 . 2]" 1
131 1 14 THR H 1 15 SER H 1.800 . 3.970 2.788 2.761 2.820 . 0 0 "[ . 1 . 2]" 1
132 1 14 THR H 1 80 LEU MD2 1.800 . 4.950 3.614 3.076 4.609 . 0 0 "[ . 1 . 2]" 1
133 1 15 SER HA 1 18 GLU QB 1.800 . 4.260 3.045 2.952 3.186 . 0 0 "[ . 1 . 2]" 1
134 1 15 SER HA 1 18 GLU H 1.800 . 4.810 3.935 3.690 4.087 . 0 0 "[ . 1 . 2]" 1
135 1 15 SER QB 1 16 ALA H 1.800 . 3.960 2.763 2.454 3.397 . 0 0 "[ . 1 . 2]" 1
136 1 15 SER HB3 1 35 TYR QE 1.800 . 4.970 4.281 3.568 5.101 0.131 3 0 "[ . 1 . 2]" 1
137 1 15 SER HB2 1 35 TYR QE 1.800 . 4.970 4.131 3.423 5.049 0.079 4 0 "[ . 1 . 2]" 1
138 1 15 SER H 1 15 SER QB 1.800 . 3.630 2.462 2.226 2.556 . 0 0 "[ . 1 . 2]" 1
139 1 15 SER H 1 16 ALA H 1.800 . 3.890 2.753 2.669 2.798 . 0 0 "[ . 1 . 2]" 1
140 1 16 ALA HA 1 19 ALA MB 1.800 . 3.870 2.561 2.410 2.709 . 0 0 "[ . 1 . 2]" 1
141 1 16 ALA HA 1 19 ALA H 1.800 . 4.390 3.494 3.403 3.575 . 0 0 "[ . 1 . 2]" 1
142 1 16 ALA HA 1 35 TYR QB 1.800 . 4.800 3.760 3.491 4.094 . 0 0 "[ . 1 . 2]" 1
143 1 16 ALA HA 1 35 TYR QD 1.800 . 4.590 2.725 2.512 2.965 . 0 0 "[ . 1 . 2]" 1
144 1 16 ALA HA 1 35 TYR QE 1.800 . 4.470 2.828 2.497 3.048 . 0 0 "[ . 1 . 2]" 1
145 1 16 ALA MB 1 17 ILE MD 1.800 . 5.790 4.243 4.193 4.325 . 0 0 "[ . 1 . 2]" 1
146 1 16 ALA MB 1 17 ILE H 1.800 . 3.840 2.398 2.325 2.500 . 0 0 "[ . 1 . 2]" 1
147 1 16 ALA MB 1 35 TYR HB3 1.800 . 4.720 2.816 2.643 3.072 . 0 0 "[ . 1 . 2]" 1
148 1 16 ALA MB 1 35 TYR HB2 1.800 . 4.720 4.065 3.910 4.333 . 0 0 "[ . 1 . 2]" 1
149 1 16 ALA MB 1 35 TYR QD 1.800 . 3.700 2.319 2.204 2.405 . 0 0 "[ . 1 . 2]" 1
150 1 16 ALA MB 1 35 TYR H 1.800 . 5.400 4.778 4.582 5.059 . 0 0 "[ . 1 . 2]" 1
151 1 16 ALA MB 1 36 LEU MD1 1.800 . 4.880 2.854 2.548 3.086 . 0 0 "[ . 1 . 2]" 1
152 1 16 ALA MB 1 36 LEU MD2 1.800 . 3.400 2.148 2.062 2.375 . 0 0 "[ . 1 . 2]" 1
153 1 16 ALA MB 1 36 LEU H 1.800 . 4.680 3.706 3.540 3.934 . 0 0 "[ . 1 . 2]" 1
154 1 16 ALA MB 1 32 VAL HA 1.800 . 4.080 2.612 2.373 2.971 . 0 0 "[ . 1 . 2]" 1
155 1 16 ALA MB 1 32 VAL MG1 1.800 . 3.210 2.078 2.055 2.139 . 0 0 "[ . 1 . 2]" 1
156 1 16 ALA H 1 16 ALA MB 1.800 . 3.420 2.249 2.232 2.262 . 0 0 "[ . 1 . 2]" 1
157 1 16 ALA H 1 17 ILE H 1.800 . 4.270 2.694 2.660 2.779 . 0 0 "[ . 1 . 2]" 1
158 1 16 ALA H 1 32 VAL MG1 1.800 . 6.050 4.600 4.492 4.760 . 0 0 "[ . 1 . 2]" 1
159 1 16 ALA H 1 35 TYR QE 1.800 . 5.850 4.239 4.034 4.538 . 0 0 "[ . 1 . 2]" 1
160 1 16 ALA H 1 36 LEU MD2 1.800 . 5.270 3.595 3.298 3.962 . 0 0 "[ . 1 . 2]" 1
161 1 16 ALA H 1 36 LEU HG 1.800 . 6.050 5.182 4.850 5.565 . 0 0 "[ . 1 . 2]" 1
162 1 17 ILE HA 1 17 ILE MD 1.800 . 5.530 3.841 3.835 3.851 . 0 0 "[ . 1 . 2]" 1
163 1 17 ILE HA 1 17 ILE MG 1.800 . 3.760 2.433 2.413 2.452 . 0 0 "[ . 1 . 2]" 1
164 1 17 ILE HA 1 27 ALA MB 1.800 . 3.660 2.614 2.143 2.967 . 0 0 "[ . 1 . 2]" 1
165 1 17 ILE HA 1 32 VAL MG1 1.800 . 5.360 4.368 3.503 4.765 . 0 0 "[ . 1 . 2]" 1
166 1 17 ILE HA 1 32 VAL MG2 1.800 . 4.220 2.886 2.319 3.221 . 0 0 "[ . 1 . 2]" 1
167 1 17 ILE HB 1 18 GLU H 1.800 . 3.890 2.520 2.442 2.565 . 0 0 "[ . 1 . 2]" 1
168 1 17 ILE MD 1 18 GLU H 1.800 . 4.870 4.379 4.285 4.424 . 0 0 "[ . 1 . 2]" 1
169 1 17 ILE MD 1 63 LEU MD1 1.800 . 5.070 4.279 2.779 5.104 0.034 16 0 "[ . 1 . 2]" 1
170 1 17 ILE MD 1 78 ILE HB 1.800 . 4.300 3.223 3.027 3.528 . 0 0 "[ . 1 . 2]" 1
171 1 17 ILE MD 1 78 ILE QG 1.800 . 4.280 2.251 2.155 2.482 . 0 0 "[ . 1 . 2]" 1
172 1 17 ILE MD 1 79 ARG HA 1.800 . 4.620 2.514 2.343 3.181 . 0 0 "[ . 1 . 2]" 1
173 1 17 ILE MD 1 80 LEU HA 1.800 . 5.200 4.316 3.723 4.959 . 0 0 "[ . 1 . 2]" 1
174 1 17 ILE MD 1 80 LEU H 1.800 . 5.020 3.310 2.738 3.776 . 0 0 "[ . 1 . 2]" 1
175 1 17 ILE QG 1 27 ALA MB 1.800 . 4.470 2.693 2.310 2.928 . 0 0 "[ . 1 . 2]" 1
176 1 17 ILE QG 1 78 ILE QG 1.800 . 4.820 2.450 2.294 2.779 . 0 0 "[ . 1 . 2]" 1
177 1 17 ILE MG 1 18 GLU HA 1.800 . 4.520 3.334 3.283 3.385 . 0 0 "[ . 1 . 2]" 1
178 1 17 ILE MG 1 18 GLU H 1.800 . 4.410 3.250 3.183 3.296 . 0 0 "[ . 1 . 2]" 1
179 1 17 ILE MG 1 26 TRP HA 1.800 . 4.480 4.071 3.467 4.536 0.056 10 0 "[ . 1 . 2]" 1
180 1 17 ILE MG 1 27 ALA MB 1.800 . 3.650 2.134 2.058 2.290 . 0 0 "[ . 1 . 2]" 1
181 1 17 ILE MG 1 27 ALA H 1.800 . 4.460 4.039 3.376 4.518 0.058 7 0 "[ . 1 . 2]" 1
182 1 17 ILE MG 1 79 ARG HA 1.800 . 4.050 2.746 2.305 3.869 . 0 0 "[ . 1 . 2]" 1
183 1 17 ILE MG 1 80 LEU H 1.800 . 4.420 3.571 2.809 4.433 0.013 2 0 "[ . 1 . 2]" 1
184 1 17 ILE H 1 17 ILE HB 1.800 . 3.670 2.432 2.405 2.461 . 0 0 "[ . 1 . 2]" 1
185 1 17 ILE H 1 17 ILE MD 1.800 . 4.310 3.372 3.297 3.407 . 0 0 "[ . 1 . 2]" 1
186 1 17 ILE H 1 17 ILE QG 1.800 . 5.480 2.186 2.133 2.238 . 0 0 "[ . 1 . 2]" 1
187 1 17 ILE H 1 17 ILE MG 1.800 . 4.600 3.771 3.761 3.779 . 0 0 "[ . 1 . 2]" 1
188 1 17 ILE H 1 18 GLU H 1.800 . 3.970 2.755 2.722 2.801 . 0 0 "[ . 1 . 2]" 1
189 1 17 ILE H 1 32 VAL MG1 1.800 . 5.830 3.981 3.367 4.225 . 0 0 "[ . 1 . 2]" 1
190 1 18 GLU HA 1 18 GLU QG 1.800 . 3.580 2.544 2.331 2.827 . 0 0 "[ . 1 . 2]" 1
191 1 18 GLU HA 1 21 ALA MB 1.800 . 3.810 2.222 2.130 2.393 . 0 0 "[ . 1 . 2]" 1
192 1 18 GLU HA 1 21 ALA H 1.800 . 5.080 3.301 3.045 3.754 . 0 0 "[ . 1 . 2]" 1
193 1 18 GLU QB 1 19 ALA MB 1.800 . 5.700 3.972 3.913 4.081 . 0 0 "[ . 1 . 2]" 1
194 1 18 GLU QB 1 19 ALA H 1.800 . 3.620 2.737 2.657 2.902 . 0 0 "[ . 1 . 2]" 1
195 1 18 GLU QG 1 19 ALA H 1.800 . 4.970 4.029 3.799 4.685 . 0 0 "[ . 1 . 2]" 1
196 1 18 GLU H 1 18 GLU QB 1.800 . 3.390 2.327 2.241 2.437 . 0 0 "[ . 1 . 2]" 1
197 1 18 GLU H 1 18 GLU QG 1.800 . 4.000 3.175 2.164 4.073 0.073 14 0 "[ . 1 . 2]" 1
198 1 18 GLU H 1 19 ALA H 1.800 . 3.550 2.624 2.577 2.662 . 0 0 "[ . 1 . 2]" 1
199 1 18 GLU H 1 27 ALA MB 1.800 . 5.750 5.178 4.851 5.388 . 0 0 "[ . 1 . 2]" 1
200 1 19 ALA HA 1 20 VAL H 1.800 . 3.800 3.562 3.499 3.601 . 0 0 "[ . 1 . 2]" 1
201 1 19 ALA MB 1 20 VAL H 1.800 . 4.100 2.523 2.173 2.846 . 0 0 "[ . 1 . 2]" 1
202 1 19 ALA MB 1 35 TYR HA 1.800 . 6.050 5.547 4.994 5.906 . 0 0 "[ . 1 . 2]" 1
203 1 19 ALA MB 1 35 TYR HB3 1.800 . 6.050 4.580 4.103 4.802 . 0 0 "[ . 1 . 2]" 1
204 1 19 ALA MB 1 35 TYR HB2 1.800 . 6.050 4.339 3.676 4.638 . 0 0 "[ . 1 . 2]" 1
205 1 19 ALA MB 1 35 TYR QD 1.800 . 4.140 3.299 2.851 3.609 . 0 0 "[ . 1 . 2]" 1
206 1 19 ALA MB 1 35 TYR HE1 1.800 . 3.610 2.699 2.309 3.456 . 0 0 "[ . 1 . 2]" 1
207 1 19 ALA MB 1 35 TYR HE2 1.800 . 3.610 3.380 2.385 3.634 0.024 3 0 "[ . 1 . 2]" 1
208 1 19 ALA H 1 19 ALA MB 1.800 . 3.000 2.251 2.242 2.265 . 0 0 "[ . 1 . 2]" 1
209 1 20 VAL HA 1 20 VAL MG1 1.800 . 3.410 2.373 2.265 2.447 . 0 0 "[ . 1 . 2]" 1
210 1 20 VAL HA 1 20 VAL MG2 1.800 . 4.160 3.215 3.189 3.220 . 0 0 "[ . 1 . 2]" 1
211 1 20 VAL HA 1 31 ALA MB 1.800 . 5.080 4.887 4.542 5.158 0.078 6 0 "[ . 1 . 2]" 1
212 1 20 VAL HB 1 21 ALA H 1.800 . 5.030 4.455 4.349 4.546 . 0 0 "[ . 1 . 2]" 1
213 1 20 VAL HB 1 27 ALA MB 1.800 . 4.920 4.114 3.730 4.491 . 0 0 "[ . 1 . 2]" 1
214 1 20 VAL HB 1 31 ALA MB 1.800 . 4.300 2.896 2.396 3.174 . 0 0 "[ . 1 . 2]" 1
215 1 20 VAL MG1 1 31 ALA HA 1.800 . 5.090 4.263 3.956 4.503 . 0 0 "[ . 1 . 2]" 1
216 1 20 VAL MG1 1 31 ALA MB 1.800 . 4.000 2.505 2.290 2.776 . 0 0 "[ . 1 . 2]" 1
217 1 20 VAL MG1 1 35 TYR HA 1.800 . 4.850 4.552 4.201 4.824 . 0 0 "[ . 1 . 2]" 1
218 1 20 VAL MG1 1 35 TYR HB3 1.800 . 4.290 3.758 3.128 4.292 0.002 6 0 "[ . 1 . 2]" 1
219 1 20 VAL MG1 1 35 TYR HB2 1.800 . 4.290 2.757 2.286 3.142 . 0 0 "[ . 1 . 2]" 1
220 1 20 VAL MG1 1 35 TYR QD 1.800 . 4.050 2.965 2.491 3.356 . 0 0 "[ . 1 . 2]" 1
221 1 20 VAL MG1 1 35 TYR H 1.800 . 4.840 4.463 3.982 4.892 0.052 6 0 "[ . 1 . 2]" 1
222 1 20 VAL MG2 1 21 ALA H 1.800 . 4.270 3.265 2.873 3.559 . 0 0 "[ . 1 . 2]" 1
223 1 20 VAL MG2 1 27 ALA HA 1.800 . 4.860 3.518 2.752 4.530 . 0 0 "[ . 1 . 2]" 1
224 1 20 VAL MG2 1 27 ALA MB 1.800 . 3.800 2.183 1.955 2.667 . 0 0 "[ . 1 . 2]" 1
225 1 20 VAL MG2 1 28 GLU H 1.800 . 4.960 3.796 3.285 5.011 0.051 14 0 "[ . 1 . 2]" 1
226 1 20 VAL MG2 1 31 ALA HA 1.800 . 4.830 4.571 3.985 4.887 0.057 19 0 "[ . 1 . 2]" 1
227 1 20 VAL MG2 1 31 ALA MB 1.800 . 4.450 2.384 2.138 2.703 . 0 0 "[ . 1 . 2]" 1
228 1 20 VAL MG2 1 32 VAL HA 1.800 . 3.880 3.325 2.886 3.706 . 0 0 "[ . 1 . 2]" 1
229 1 20 VAL MG2 1 32 VAL H 1.800 . 3.950 3.765 3.523 3.952 0.002 6 0 "[ . 1 . 2]" 1
230 1 20 VAL MG2 1 35 TYR QB 1.800 . 4.810 3.591 2.857 4.035 . 0 0 "[ . 1 . 2]" 1
231 1 20 VAL MG2 1 35 TYR H 1.800 . 5.600 5.131 4.249 5.626 0.026 19 0 "[ . 1 . 2]" 1
232 1 20 VAL H 1 20 VAL MG1 1.800 . 3.980 2.568 2.232 3.261 . 0 0 "[ . 1 . 2]" 1
233 1 20 VAL H 1 20 VAL MG2 1.800 . 3.720 2.022 1.913 2.210 . 0 0 "[ . 1 . 2]" 1
234 1 20 VAL H 1 21 ALA H 1.800 . 3.800 2.476 2.221 2.894 . 0 0 "[ . 1 . 2]" 1
235 1 21 ALA HA 1 22 ARG H 1.800 . 3.780 3.402 3.148 3.571 . 0 0 "[ . 1 . 2]" 1
236 1 21 ALA HA 1 27 ALA HA 1.800 . 4.000 3.697 3.432 3.967 . 0 0 "[ . 1 . 2]" 1
237 1 21 ALA HA 1 27 ALA MB 1.800 . 4.800 2.698 2.323 3.298 . 0 0 "[ . 1 . 2]" 1
238 1 21 ALA MB 1 22 ARG HA 1.800 . 5.310 4.311 3.996 4.810 . 0 0 "[ . 1 . 2]" 1
239 1 21 ALA MB 1 22 ARG H 1.800 . 3.540 3.025 2.457 3.524 . 0 0 "[ . 1 . 2]" 1
240 1 21 ALA MB 1 26 TRP H 1.800 . 5.400 4.976 3.827 5.532 0.132 20 0 "[ . 1 . 2]" 1
241 1 21 ALA MB 1 27 ALA HA 1.800 . 5.050 4.974 4.521 5.096 0.046 8 0 "[ . 1 . 2]" 1
242 1 21 ALA H 1 21 ALA MB 1.800 . 3.320 2.213 2.126 2.276 . 0 0 "[ . 1 . 2]" 1
243 1 21 ALA H 1 22 ARG H 1.800 . 4.460 2.746 2.600 3.001 . 0 0 "[ . 1 . 2]" 1
244 1 21 ALA H 1 27 ALA HA 1.800 . 6.040 5.840 5.511 6.096 0.056 18 0 "[ . 1 . 2]" 1
245 1 22 ARG HA 1 22 ARG HD3 1.800 . 5.390 4.437 2.297 4.854 . 0 0 "[ . 1 . 2]" 1
246 1 22 ARG HA 1 22 ARG HD2 1.800 . 5.390 4.563 3.756 4.864 . 0 0 "[ . 1 . 2]" 1
247 1 22 ARG HA 1 22 ARG HG3 1.800 . 4.470 2.938 2.421 4.276 . 0 0 "[ . 1 . 2]" 1
248 1 22 ARG HA 1 22 ARG HG2 1.800 . 4.470 2.685 2.412 3.689 . 0 0 "[ . 1 . 2]" 1
249 1 22 ARG HA 1 23 ASP H 1.800 . 3.580 2.868 2.217 3.555 . 0 0 "[ . 1 . 2]" 1
250 1 22 ARG HB3 1 23 ASP H 1.800 . 4.600 3.395 1.761 4.435 0.039 10 0 "[ . 1 . 2]" 1
251 1 22 ARG HB2 1 23 ASP H 1.800 . 4.600 3.606 1.760 4.599 0.040 8 0 "[ . 1 . 2]" 1
252 1 22 ARG QG 1 23 ASP H 1.800 . 5.120 4.022 2.267 4.533 . 0 0 "[ . 1 . 2]" 1
253 1 22 ARG H 1 22 ARG HG3 1.800 . 5.000 2.972 2.082 4.521 . 0 0 "[ . 1 . 2]" 1
254 1 22 ARG H 1 22 ARG HG2 1.800 . 5.000 3.754 2.775 4.975 . 0 0 "[ . 1 . 2]" 1
255 1 22 ARG H 1 23 ASP H 1.800 . 5.240 3.655 2.527 4.685 . 0 0 "[ . 1 . 2]" 1
256 1 23 ASP QB 1 24 SER H 1.800 . 4.000 2.939 1.833 4.078 0.078 17 0 "[ . 1 . 2]" 1
257 1 23 ASP H 1 23 ASP QB 1.800 . 3.500 2.797 2.219 3.425 . 0 0 "[ . 1 . 2]" 1
258 1 23 ASP H 1 24 SER H 1.800 . 4.540 3.211 2.215 4.512 . 0 0 "[ . 1 . 2]" 1
259 1 24 SER H 1 25 GLY H 1.800 . 4.600 3.421 1.764 4.688 0.088 18 0 "[ . 1 . 2]" 1
260 1 25 GLY H 1 26 TRP H 1.800 . 4.600 3.366 2.323 4.417 . 0 0 "[ . 1 . 2]" 1
261 1 26 TRP HA 1 27 ALA MB 1.800 . 4.750 3.902 3.820 3.985 . 0 0 "[ . 1 . 2]" 1
262 1 26 TRP HA 1 27 ALA H 1.800 . 3.390 2.588 2.224 3.289 . 0 0 "[ . 1 . 2]" 1
263 1 26 TRP HA 1 77 GLU QB 1.800 . 6.050 4.279 3.692 5.040 . 0 0 "[ . 1 . 2]" 1
264 1 26 TRP HA 1 79 ARG QD 1.800 . 5.400 3.799 2.669 5.512 0.112 2 0 "[ . 1 . 2]" 1
265 1 26 TRP HA 1 79 ARG QG 1.800 . 5.090 4.034 2.597 4.781 . 0 0 "[ . 1 . 2]" 1
266 1 26 TRP QB 1 77 GLU HB3 1.800 . 5.360 2.812 2.366 3.619 . 0 0 "[ . 1 . 2]" 1
267 1 26 TRP QB 1 77 GLU HB2 1.800 . 5.360 4.043 3.484 4.844 . 0 0 "[ . 1 . 2]" 1
268 1 26 TRP HB3 1 27 ALA H 1.800 . 5.150 2.306 1.808 3.168 . 0 0 "[ . 1 . 2]" 1
269 1 26 TRP HB2 1 27 ALA H 1.800 . 5.150 3.395 2.199 4.142 . 0 0 "[ . 1 . 2]" 1
270 1 26 TRP HE1 1 66 GLN QE 1.800 . 4.890 4.496 3.657 4.901 0.011 18 0 "[ . 1 . 2]" 1
271 1 26 TRP HE1 1 79 ARG HD3 1.800 . 6.050 5.293 3.461 6.302 0.252 7 0 "[ . 1 . 2]" 1
272 1 26 TRP HE1 1 79 ARG HD2 1.800 . 6.050 4.780 3.305 6.005 . 0 0 "[ . 1 . 2]" 1
273 1 26 TRP HH2 1 64 THR MG 1.800 . 3.790 2.748 2.147 3.490 . 0 0 "[ . 1 . 2]" 1
274 1 26 TRP HH2 1 66 GLN HB3 1.800 . 5.400 4.343 3.190 5.421 0.021 14 0 "[ . 1 . 2]" 1
275 1 26 TRP HH2 1 66 GLN HB2 1.800 . 5.400 3.724 2.785 5.448 0.048 13 0 "[ . 1 . 2]" 1
276 1 26 TRP HH2 1 66 GLN HE21 1.800 . 4.290 3.515 2.492 4.340 0.050 16 0 "[ . 1 . 2]" 1
277 1 26 TRP HH2 1 66 GLN HE22 1.800 . 4.290 3.162 2.384 3.979 . 0 0 "[ . 1 . 2]" 1
278 1 26 TRP HH2 1 66 GLN HG3 1.800 . 5.000 3.987 2.686 4.990 . 0 0 "[ . 1 . 2]" 1
279 1 26 TRP HH2 1 66 GLN HG2 1.800 . 5.000 4.606 3.906 5.109 0.109 18 0 "[ . 1 . 2]" 1
280 1 26 TRP H 1 26 TRP HB3 1.800 . 4.250 3.708 3.605 4.054 . 0 0 "[ . 1 . 2]" 1
281 1 26 TRP H 1 26 TRP HB2 1.800 . 4.250 2.653 2.403 3.456 . 0 0 "[ . 1 . 2]" 1
282 1 26 TRP HZ2 1 64 THR MG 1.800 . 5.630 4.601 3.767 5.333 . 0 0 "[ . 1 . 2]" 1
283 1 26 TRP HZ3 1 64 THR MG 1.800 . 4.820 3.222 2.415 3.899 . 0 0 "[ . 1 . 2]" 1
284 1 26 TRP HZ3 1 65 VAL HA 1.800 . 4.740 4.422 3.681 4.768 0.028 2 0 "[ . 1 . 2]" 1
285 1 26 TRP HZ3 1 65 VAL MG1 1.800 . 6.050 5.752 5.192 6.112 0.062 15 0 "[ . 1 . 2]" 1
286 1 26 TRP HZ3 1 66 GLN QB 1.800 . 5.330 3.015 2.285 4.286 . 0 0 "[ . 1 . 2]" 1
287 1 26 TRP HZ3 1 66 GLN H 1.800 . 4.650 3.987 3.378 4.584 . 0 0 "[ . 1 . 2]" 1
288 1 26 TRP HZ3 1 77 GLU QB 1.800 . 5.620 3.785 3.265 4.803 . 0 0 "[ . 1 . 2]" 1
289 1 26 TRP HZ3 1 78 ILE HA 1.800 . 4.800 3.568 3.051 4.123 . 0 0 "[ . 1 . 2]" 1
290 1 26 TRP HZ3 1 79 ARG H 1.800 . 5.070 3.809 3.072 4.749 . 0 0 "[ . 1 . 2]" 1
291 1 27 ALA HA 1 28 GLU H 1.800 . 3.470 2.235 2.177 2.305 . 0 0 "[ . 1 . 2]" 1
292 1 27 ALA HA 1 77 GLU QG 1.800 . 6.050 4.752 4.487 5.347 . 0 0 "[ . 1 . 2]" 1
293 1 27 ALA MB 1 28 GLU H 1.800 . 4.210 2.991 2.753 3.323 . 0 0 "[ . 1 . 2]" 1
294 1 27 ALA MB 1 32 VAL MG2 1.800 . 3.120 2.559 2.214 2.838 . 0 0 "[ . 1 . 2]" 1
295 1 27 ALA MB 1 32 VAL H 1.800 . 4.890 4.384 4.130 4.581 . 0 0 "[ . 1 . 2]" 1
296 1 27 ALA MB 1 77 GLU HA 1.800 . 5.920 4.595 4.236 4.893 . 0 0 "[ . 1 . 2]" 1
297 1 27 ALA MB 1 78 ILE H 1.800 . 4.690 3.687 3.249 4.048 . 0 0 "[ . 1 . 2]" 1
298 1 27 ALA H 1 27 ALA MB 1.800 . 3.630 2.650 2.526 2.804 . 0 0 "[ . 1 . 2]" 1
299 1 27 ALA H 1 32 VAL MG2 1.800 . 5.220 5.040 4.671 5.294 0.074 10 0 "[ . 1 . 2]" 1
300 1 27 ALA H 1 77 GLU HA 1.800 . 5.390 4.090 3.804 4.587 . 0 0 "[ . 1 . 2]" 1
301 1 27 ALA H 1 77 GLU HB3 1.800 . 5.610 3.004 2.277 3.749 . 0 0 "[ . 1 . 2]" 1
302 1 27 ALA H 1 77 GLU HB2 1.800 . 5.610 4.744 3.975 5.511 . 0 0 "[ . 1 . 2]" 1
303 1 27 ALA H 1 78 ILE QG 1.800 . 5.380 4.506 3.946 5.112 . 0 0 "[ . 1 . 2]" 1
304 1 27 ALA H 1 78 ILE H 1.800 . 4.060 3.435 3.031 4.012 . 0 0 "[ . 1 . 2]" 1
305 1 28 GLU HA 1 28 GLU QG 1.800 . 3.990 2.497 2.330 3.310 . 0 0 "[ . 1 . 2]" 1
306 1 28 GLU HA 1 29 LEU H 1.800 . 3.590 2.203 2.183 2.234 . 0 0 "[ . 1 . 2]" 1
307 1 28 GLU HA 1 77 GLU HA 1.800 . 3.610 3.440 3.017 3.695 0.085 14 0 "[ . 1 . 2]" 1
308 1 28 GLU HA 1 77 GLU QB 1.800 . 5.530 4.326 4.169 4.469 . 0 0 "[ . 1 . 2]" 1
309 1 28 GLU HA 1 77 GLU HG3 1.800 . 3.990 3.448 2.374 3.906 . 0 0 "[ . 1 . 2]" 1
310 1 28 GLU HA 1 77 GLU HG2 1.800 . 3.990 2.661 2.364 4.082 0.092 17 0 "[ . 1 . 2]" 1
311 1 28 GLU HA 1 78 ILE H 1.800 . 5.460 5.050 4.638 5.321 . 0 0 "[ . 1 . 2]" 1
312 1 28 GLU QB 1 29 LEU H 1.800 . 4.220 3.276 3.027 3.810 . 0 0 "[ . 1 . 2]" 1
313 1 28 GLU QB 1 30 SER H 1.800 . 4.370 3.061 2.831 3.855 . 0 0 "[ . 1 . 2]" 1
314 1 28 GLU HB3 1 31 ALA MB 1.800 . 4.480 3.489 2.145 4.426 . 0 0 "[ . 1 . 2]" 1
315 1 28 GLU HB3 1 31 ALA H 1.800 . 4.270 3.019 2.496 4.496 0.226 14 0 "[ . 1 . 2]" 1
316 1 28 GLU HB2 1 31 ALA MB 1.800 . 4.480 2.714 2.275 4.162 . 0 0 "[ . 1 . 2]" 1
317 1 28 GLU HB2 1 31 ALA H 1.800 . 4.270 2.968 2.597 4.258 . 0 0 "[ . 1 . 2]" 1
318 1 28 GLU QG 1 29 LEU H 1.800 . 5.250 3.980 2.807 4.673 . 0 0 "[ . 1 . 2]" 1
319 1 28 GLU QG 1 31 ALA MB 1.800 . 4.750 3.816 2.025 4.234 . 0 0 "[ . 1 . 2]" 1
320 1 28 GLU QG 1 31 ALA H 1.800 . 5.750 4.132 1.757 4.771 0.043 14 0 "[ . 1 . 2]" 1
321 1 28 GLU H 1 28 GLU HB3 1.800 . 4.170 3.418 2.553 3.630 . 0 0 "[ . 1 . 2]" 1
322 1 28 GLU H 1 28 GLU HB2 1.800 . 4.170 2.517 2.416 3.615 . 0 0 "[ . 1 . 2]" 1
323 1 28 GLU H 1 28 GLU HG3 1.800 . 4.640 3.057 2.215 4.498 . 0 0 "[ . 1 . 2]" 1
324 1 28 GLU H 1 28 GLU HG2 1.800 . 4.640 3.469 1.817 4.668 0.028 20 0 "[ . 1 . 2]" 1
325 1 29 LEU HA 1 29 LEU MD1 1.800 . 3.340 2.202 2.155 2.308 . 0 0 "[ . 1 . 2]" 1
326 1 29 LEU HA 1 32 VAL HB 1.800 . 4.130 2.664 2.490 2.885 . 0 0 "[ . 1 . 2]" 1
327 1 29 LEU HA 1 32 VAL MG1 1.800 . 4.750 3.985 3.856 4.133 . 0 0 "[ . 1 . 2]" 1
328 1 29 LEU HA 1 32 VAL MG2 1.800 . 4.170 2.656 2.566 2.839 . 0 0 "[ . 1 . 2]" 1
329 1 29 LEU HA 1 32 VAL H 1.800 . 4.570 3.259 3.205 3.368 . 0 0 "[ . 1 . 2]" 1
330 1 29 LEU HA 1 77 GLU HA 1.800 . 5.500 4.138 3.987 4.390 . 0 0 "[ . 1 . 2]" 1
331 1 29 LEU HA 1 78 ILE MD 1.800 . 5.520 3.877 3.546 4.356 . 0 0 "[ . 1 . 2]" 1
332 1 29 LEU QB 1 30 SER H 1.800 . 3.880 2.585 2.477 2.729 . 0 0 "[ . 1 . 2]" 1
333 1 29 LEU QB 1 77 GLU HA 1.800 . 6.050 3.313 2.963 3.716 . 0 0 "[ . 1 . 2]" 1
334 1 29 LEU HB3 1 29 LEU MD2 1.800 . 3.780 2.401 2.259 3.241 . 0 0 "[ . 1 . 2]" 1
335 1 29 LEU HB3 1 54 SER QB 1.800 . 5.270 4.915 4.497 5.240 . 0 0 "[ . 1 . 2]" 1
336 1 29 LEU HB3 1 76 SER QB 1.800 . 4.870 2.747 2.378 3.819 . 0 0 "[ . 1 . 2]" 1
337 1 29 LEU HB3 1 76 SER HB3 1.800 . 5.000 3.436 2.392 4.500 . 0 0 "[ . 1 . 2]" 1
338 1 29 LEU HB3 1 76 SER HB2 1.800 . 5.000 3.515 2.420 4.833 . 0 0 "[ . 1 . 2]" 1
339 1 29 LEU HB2 1 29 LEU MD2 1.800 . 3.780 2.404 2.240 2.629 . 0 0 "[ . 1 . 2]" 1
340 1 29 LEU HB2 1 54 SER QB 1.800 . 5.270 4.539 3.901 4.984 . 0 0 "[ . 1 . 2]" 1
341 1 29 LEU HB2 1 76 SER QB 1.800 . 4.870 2.581 2.333 3.087 . 0 0 "[ . 1 . 2]" 1
342 1 29 LEU HB2 1 76 SER HB3 1.800 . 5.000 3.077 2.376 4.235 . 0 0 "[ . 1 . 2]" 1
343 1 29 LEU HB2 1 76 SER HB2 1.800 . 5.000 3.296 2.423 4.154 . 0 0 "[ . 1 . 2]" 1
344 1 29 LEU MD1 1 54 SER HA 1.800 . 5.050 3.580 2.967 4.348 . 0 0 "[ . 1 . 2]" 1
345 1 29 LEU MD1 1 76 SER HB3 1.800 . 4.950 4.217 3.161 5.117 0.167 15 0 "[ . 1 . 2]" 1
346 1 29 LEU MD1 1 76 SER HB2 1.800 . 4.950 4.400 3.669 5.074 0.124 4 0 "[ . 1 . 2]" 1
347 1 29 LEU MD1 1 77 GLU HA 1.800 . 5.000 4.376 3.841 5.183 0.183 18 0 "[ . 1 . 2]" 1
348 1 29 LEU MD1 1 78 ILE HG13 1.800 . 6.050 4.462 3.858 5.583 . 0 0 "[ . 1 . 2]" 1
349 1 29 LEU MD1 1 78 ILE HG12 1.800 . 6.050 3.135 2.497 4.208 . 0 0 "[ . 1 . 2]" 1
350 1 29 LEU MD1 1 78 ILE H 1.800 . 5.000 4.546 3.952 5.282 0.282 18 0 "[ . 1 . 2]" 1
351 1 29 LEU MD2 1 30 SER H 1.800 . 4.980 4.365 4.189 4.817 . 0 0 "[ . 1 . 2]" 1
352 1 29 LEU MD2 1 54 SER HA 1.800 . 5.040 3.011 2.373 3.764 . 0 0 "[ . 1 . 2]" 1
353 1 29 LEU MD2 1 54 SER QB 1.800 . 3.390 2.300 2.047 2.783 . 0 0 "[ . 1 . 2]" 1
354 1 29 LEU MD2 1 54 SER H 1.800 . 5.010 2.926 1.864 3.896 . 0 0 "[ . 1 . 2]" 1
355 1 29 LEU MD2 1 55 GLN H 1.800 . 5.630 4.952 4.313 5.638 0.008 14 0 "[ . 1 . 2]" 1
356 1 29 LEU MD2 1 57 VAL H 1.800 . 6.030 5.799 5.151 6.199 0.169 15 0 "[ . 1 . 2]" 1
357 1 29 LEU MD2 1 76 SER HA 1.800 . 5.510 4.580 4.039 4.888 . 0 0 "[ . 1 . 2]" 1
358 1 29 LEU MD2 1 76 SER HB3 1.800 . 3.640 2.616 2.121 3.490 . 0 0 "[ . 1 . 2]" 1
359 1 29 LEU MD2 1 76 SER HB2 1.800 . 3.640 2.750 2.131 3.667 0.027 14 0 "[ . 1 . 2]" 1
360 1 29 LEU H 1 29 LEU HB3 1.800 . 4.220 2.656 2.562 3.167 . 0 0 "[ . 1 . 2]" 1
361 1 29 LEU H 1 29 LEU HB2 1.800 . 4.220 2.430 2.099 2.511 . 0 0 "[ . 1 . 2]" 1
362 1 29 LEU H 1 29 LEU MD1 1.800 . 4.980 4.041 3.943 4.240 . 0 0 "[ . 1 . 2]" 1
363 1 29 LEU H 1 29 LEU MD2 1.800 . 5.800 4.200 3.232 4.363 . 0 0 "[ . 1 . 2]" 1
364 1 29 LEU H 1 30 SER H 1.800 . 4.180 2.817 2.766 2.869 . 0 0 "[ . 1 . 2]" 1
365 1 29 LEU H 1 77 GLU HA 1.800 . 4.230 2.970 2.764 3.323 . 0 0 "[ . 1 . 2]" 1
366 1 29 LEU H 1 77 GLU H 1.800 . 5.380 4.818 4.607 5.231 . 0 0 "[ . 1 . 2]" 1
367 1 29 LEU H 1 78 ILE H 1.800 . 5.260 4.746 4.399 4.944 . 0 0 "[ . 1 . 2]" 1
368 1 30 SER HA 1 33 GLY H 1.800 . 4.940 3.618 3.531 3.745 . 0 0 "[ . 1 . 2]" 1
369 1 30 SER QB 1 31 ALA MB 1.800 . 4.720 4.082 3.775 4.534 . 0 0 "[ . 1 . 2]" 1
370 1 30 SER QB 1 31 ALA H 1.800 . 4.390 2.788 2.452 3.355 . 0 0 "[ . 1 . 2]" 1
371 1 30 SER H 1 30 SER QB 1.800 . 3.690 2.403 2.234 2.523 . 0 0 "[ . 1 . 2]" 1
372 1 30 SER H 1 31 ALA H 1.800 . 3.880 2.777 2.721 2.843 . 0 0 "[ . 1 . 2]" 1
373 1 31 ALA HA 1 34 SER QB 1.800 . 3.690 2.834 2.480 3.678 . 0 0 "[ . 1 . 2]" 1
374 1 31 ALA HA 1 34 SER H 1.800 . 4.370 3.589 3.512 3.651 . 0 0 "[ . 1 . 2]" 1
375 1 31 ALA MB 1 32 VAL H 1.800 . 3.890 2.578 2.527 2.619 . 0 0 "[ . 1 . 2]" 1
376 1 31 ALA MB 1 34 SER QB 1.800 . 5.210 4.192 3.959 4.869 . 0 0 "[ . 1 . 2]" 1
377 1 31 ALA MB 1 34 SER H 1.800 . 5.730 4.757 4.691 4.808 . 0 0 "[ . 1 . 2]" 1
378 1 31 ALA H 1 31 ALA MB 1.800 . 3.310 2.256 2.245 2.277 . 0 0 "[ . 1 . 2]" 1
379 1 31 ALA H 1 32 VAL H 1.800 . 3.520 2.679 2.636 2.727 . 0 0 "[ . 1 . 2]" 1
380 1 32 VAL HA 1 32 VAL MG1 1.800 . 3.850 2.395 2.367 2.427 . 0 0 "[ . 1 . 2]" 1
381 1 32 VAL HA 1 32 VAL MG2 1.800 . 3.770 2.357 2.307 2.388 . 0 0 "[ . 1 . 2]" 1
382 1 32 VAL HA 1 35 TYR HB3 1.800 . 4.820 2.739 2.548 3.043 . 0 0 "[ . 1 . 2]" 1
383 1 32 VAL HA 1 35 TYR HB2 1.800 . 4.820 3.660 3.484 3.838 . 0 0 "[ . 1 . 2]" 1
384 1 32 VAL HA 1 35 TYR H 1.800 . 4.380 3.641 3.520 3.739 . 0 0 "[ . 1 . 2]" 1
385 1 32 VAL HB 1 33 GLY H 1.800 . 4.000 2.419 2.360 2.472 . 0 0 "[ . 1 . 2]" 1
386 1 32 VAL HB 1 53 LEU MD2 1.800 . 5.370 4.115 3.194 4.779 . 0 0 "[ . 1 . 2]" 1
387 1 32 VAL HB 1 78 ILE MD 1.800 . 3.800 3.699 3.469 3.800 . 0 0 "[ . 1 . 2]" 1
388 1 32 VAL HB 1 78 ILE QG 1.800 . 5.470 4.476 4.146 4.667 . 0 0 "[ . 1 . 2]" 1
389 1 32 VAL MG1 1 33 GLY QA 1.800 . 4.700 3.244 3.192 3.306 . 0 0 "[ . 1 . 2]" 1
390 1 32 VAL MG1 1 33 GLY H 1.800 . 4.620 3.234 3.179 3.312 . 0 0 "[ . 1 . 2]" 1
391 1 32 VAL MG1 1 35 TYR QD 1.800 . 5.190 4.395 4.199 4.707 . 0 0 "[ . 1 . 2]" 1
392 1 32 VAL MG1 1 78 ILE HB 1.800 . 5.730 5.590 5.257 5.717 . 0 0 "[ . 1 . 2]" 1
393 1 32 VAL MG2 1 33 GLY H 1.800 . 5.170 3.805 3.766 3.858 . 0 0 "[ . 1 . 2]" 1
394 1 32 VAL H 1 32 VAL HB 1.800 . 3.480 2.477 2.440 2.515 . 0 0 "[ . 1 . 2]" 1
395 1 32 VAL H 1 32 VAL MG1 1.800 . 5.160 3.774 3.767 3.781 . 0 0 "[ . 1 . 2]" 1
396 1 32 VAL H 1 32 VAL MG2 1.800 . 3.440 2.075 2.024 2.153 . 0 0 "[ . 1 . 2]" 1
397 1 32 VAL H 1 33 GLY H 1.800 . 3.990 2.777 2.737 2.802 . 0 0 "[ . 1 . 2]" 1
398 1 32 VAL H 1 78 ILE MD 1.800 . 6.050 5.381 5.081 5.750 . 0 0 "[ . 1 . 2]" 1
399 1 33 GLY QA 1 36 LEU QB 1.800 . 4.360 2.862 2.664 3.043 . 0 0 "[ . 1 . 2]" 1
400 1 33 GLY QA 1 36 LEU MD1 1.800 . 4.830 2.667 2.352 3.011 . 0 0 "[ . 1 . 2]" 1
401 1 33 GLY HA3 1 53 LEU MD1 1.800 . 5.800 5.533 3.306 5.941 0.141 11 0 "[ . 1 . 2]" 1
402 1 33 GLY HA3 1 53 LEU MD2 1.800 . 5.000 3.647 3.053 3.884 . 0 0 "[ . 1 . 2]" 1
403 1 33 GLY HA2 1 53 LEU MD1 1.800 . 5.800 5.230 3.152 5.631 . 0 0 "[ . 1 . 2]" 1
404 1 33 GLY HA2 1 53 LEU MD2 1.800 . 5.000 3.630 2.317 4.015 . 0 0 "[ . 1 . 2]" 1
405 1 33 GLY H 1 34 SER H 1.800 . 4.020 2.796 2.751 2.840 . 0 0 "[ . 1 . 2]" 1
406 1 33 GLY H 1 53 LEU MD2 1.800 . 4.400 4.031 3.137 4.523 0.123 14 0 "[ . 1 . 2]" 1
407 1 34 SER HA 1 37 ALA MB 1.800 . 3.670 2.551 2.383 2.724 . 0 0 "[ . 1 . 2]" 1
408 1 34 SER HA 1 37 ALA H 1.800 . 4.260 3.457 3.321 3.529 . 0 0 "[ . 1 . 2]" 1
409 1 34 SER QB 1 35 TYR H 1.800 . 3.510 2.641 2.459 3.367 . 0 0 "[ . 1 . 2]" 1
410 1 34 SER H 1 34 SER QB 1.800 . 3.210 2.416 2.232 2.579 . 0 0 "[ . 1 . 2]" 1
411 1 34 SER H 1 35 TYR H 1.800 . 3.540 2.716 2.604 2.769 . 0 0 "[ . 1 . 2]" 1
412 1 34 SER H 1 53 LEU MD2 1.800 . 6.050 5.751 4.957 6.028 . 0 0 "[ . 1 . 2]" 1
413 1 35 TYR HA 1 35 TYR QD 1.800 . 4.250 2.837 2.725 2.939 . 0 0 "[ . 1 . 2]" 1
414 1 35 TYR HA 1 38 LYS QB 1.800 . 4.290 3.057 2.780 3.409 . 0 0 "[ . 1 . 2]" 1
415 1 35 TYR HA 1 38 LYS H 1.800 . 4.520 3.608 3.447 3.772 . 0 0 "[ . 1 . 2]" 1
416 1 35 TYR HB3 1 36 LEU H 1.800 . 5.100 2.448 2.383 2.529 . 0 0 "[ . 1 . 2]" 1
417 1 35 TYR HB2 1 36 LEU H 1.800 . 5.100 3.820 3.767 3.880 . 0 0 "[ . 1 . 2]" 1
418 1 35 TYR QD 1 36 LEU HA 1.800 . 4.540 3.056 2.896 3.225 . 0 0 "[ . 1 . 2]" 1
419 1 35 TYR QD 1 36 LEU MD2 1.800 . 4.140 2.612 2.383 3.007 . 0 0 "[ . 1 . 2]" 1
420 1 35 TYR QD 1 36 LEU HG 1.800 . 4.690 2.845 2.643 3.152 . 0 0 "[ . 1 . 2]" 1
421 1 35 TYR QD 1 36 LEU H 1.800 . 5.070 3.169 3.018 3.390 . 0 0 "[ . 1 . 2]" 1
422 1 35 TYR QE 1 36 LEU MD2 1.800 . 4.770 3.399 3.044 3.758 . 0 0 "[ . 1 . 2]" 1
423 1 35 TYR H 1 35 TYR HB3 1.800 . 3.380 2.532 2.500 2.596 . 0 0 "[ . 1 . 2]" 1
424 1 35 TYR H 1 35 TYR HB2 1.800 . 3.380 2.563 2.517 2.606 . 0 0 "[ . 1 . 2]" 1
425 1 35 TYR H 1 35 TYR QD 1.800 . 4.910 4.213 4.209 4.218 . 0 0 "[ . 1 . 2]" 1
426 1 35 TYR H 1 36 LEU H 1.800 . 3.970 2.785 2.747 2.812 . 0 0 "[ . 1 . 2]" 1
427 1 36 LEU HA 1 36 LEU MD1 1.800 . 5.060 3.853 3.835 3.869 . 0 0 "[ . 1 . 2]" 1
428 1 36 LEU HA 1 36 LEU MD2 1.800 . 3.420 2.201 2.176 2.240 . 0 0 "[ . 1 . 2]" 1
429 1 36 LEU HA 1 39 ASN QB 1.800 . 4.800 2.658 2.408 3.059 . 0 0 "[ . 1 . 2]" 1
430 1 36 LEU QB 1 36 LEU MD2 1.800 . 4.600 2.234 2.215 2.257 . 0 0 "[ . 1 . 2]" 1
431 1 36 LEU QB 1 43 PHE HB3 1.800 . 5.760 4.134 3.175 5.137 . 0 0 "[ . 1 . 2]" 1
432 1 36 LEU QB 1 43 PHE HB2 1.800 . 5.760 4.289 3.037 5.816 0.056 18 0 "[ . 1 . 2]" 1
433 1 36 LEU QB 1 43 PHE QD 1.800 . 5.640 3.608 2.836 4.297 . 0 0 "[ . 1 . 2]" 1
434 1 36 LEU HB3 1 36 LEU MD1 1.800 . 4.590 2.471 2.422 2.534 . 0 0 "[ . 1 . 2]" 1
435 1 36 LEU HB3 1 37 ALA H 1.800 . 4.570 3.606 3.514 3.663 . 0 0 "[ . 1 . 2]" 1
436 1 36 LEU HB2 1 36 LEU MD1 1.800 . 4.590 2.290 2.269 2.319 . 0 0 "[ . 1 . 2]" 1
437 1 36 LEU HB2 1 37 ALA H 1.800 . 4.570 2.625 2.556 2.707 . 0 0 "[ . 1 . 2]" 1
438 1 36 LEU MD1 1 37 ALA H 1.800 . 5.320 4.467 4.400 4.539 . 0 0 "[ . 1 . 2]" 1
439 1 36 LEU MD1 1 43 PHE QD 1.800 . 5.020 4.315 3.449 4.983 . 0 0 "[ . 1 . 2]" 1
440 1 36 LEU MD1 1 43 PHE QE 1.800 . 4.390 3.906 2.945 4.417 0.027 14 0 "[ . 1 . 2]" 1
441 1 36 LEU MD1 1 53 LEU MD1 1.800 . 5.200 4.438 3.757 5.263 0.063 15 0 "[ . 1 . 2]" 1
442 1 36 LEU MD1 1 53 LEU MD2 1.800 . 4.370 3.708 2.160 4.367 . 0 0 "[ . 1 . 2]" 1
443 1 36 LEU MD2 1 37 ALA H 1.800 . 5.460 4.770 4.734 4.811 . 0 0 "[ . 1 . 2]" 1
444 1 36 LEU MD2 1 43 PHE QD 1.800 . 5.800 5.229 4.404 5.840 0.040 7 0 "[ . 1 . 2]" 1
445 1 36 LEU H 1 36 LEU MD1 1.800 . 5.080 3.434 3.298 3.521 . 0 0 "[ . 1 . 2]" 1
446 1 36 LEU H 1 36 LEU MD2 1.800 . 4.970 3.571 3.465 3.708 . 0 0 "[ . 1 . 2]" 1
447 1 36 LEU H 1 36 LEU HG 1.800 . 4.290 2.256 2.196 2.312 . 0 0 "[ . 1 . 2]" 1
448 1 36 LEU H 1 37 ALA H 1.800 . 4.030 2.689 2.650 2.735 . 0 0 "[ . 1 . 2]" 1
449 1 37 ALA HA 1 40 ASP H 1.800 . 4.840 3.454 3.243 4.025 . 0 0 "[ . 1 . 2]" 1
450 1 37 ALA HA 1 43 PHE HB3 1.800 . 6.050 2.855 2.396 3.665 . 0 0 "[ . 1 . 2]" 1
451 1 37 ALA HA 1 43 PHE HB2 1.800 . 6.050 3.756 2.402 5.125 . 0 0 "[ . 1 . 2]" 1
452 1 37 ALA HA 1 43 PHE QD 1.800 . 5.000 4.067 2.903 4.833 . 0 0 "[ . 1 . 2]" 1
453 1 37 ALA HA 1 45 PRO QG 1.800 . 5.800 5.091 3.805 5.875 0.075 14 0 "[ . 1 . 2]" 1
454 1 37 ALA MB 1 38 LYS H 1.800 . 3.590 2.426 2.337 2.541 . 0 0 "[ . 1 . 2]" 1
455 1 37 ALA MB 1 43 PHE QB 1.800 . 6.050 3.549 2.674 4.508 . 0 0 "[ . 1 . 2]" 1
456 1 37 ALA MB 1 43 PHE QD 1.800 . 5.120 3.984 3.132 5.052 . 0 0 "[ . 1 . 2]" 1
457 1 37 ALA MB 1 44 ASP HA 1.800 . 5.860 4.849 2.928 5.924 0.064 20 0 "[ . 1 . 2]" 1
458 1 37 ALA MB 1 45 PRO QB 1.800 . 5.870 5.133 4.395 5.842 . 0 0 "[ . 1 . 2]" 1
459 1 37 ALA MB 1 45 PRO HD3 1.800 . 5.640 3.690 2.348 4.394 . 0 0 "[ . 1 . 2]" 1
460 1 37 ALA MB 1 45 PRO HD2 1.800 . 5.640 4.183 2.324 5.201 . 0 0 "[ . 1 . 2]" 1
461 1 37 ALA H 1 37 ALA MB 1.800 . 3.120 2.254 2.235 2.267 . 0 0 "[ . 1 . 2]" 1
462 1 37 ALA H 1 38 LYS H 1.800 . 3.560 2.808 2.723 2.896 . 0 0 "[ . 1 . 2]" 1
463 1 38 LYS HA 1 38 LYS QE 1.800 . 5.300 4.460 4.018 4.946 . 0 0 "[ . 1 . 2]" 1
464 1 38 LYS HA 1 38 LYS QG 1.800 . 3.890 2.419 2.318 2.954 . 0 0 "[ . 1 . 2]" 1
465 1 38 LYS QB 1 38 LYS QE 1.800 . 4.960 3.222 2.153 3.847 . 0 0 "[ . 1 . 2]" 1
466 1 38 LYS QB 1 39 ASN QD 1.800 . 4.000 3.235 2.310 3.619 . 0 0 "[ . 1 . 2]" 1
467 1 38 LYS QB 1 39 ASN H 1.800 . 3.830 2.480 2.324 2.679 . 0 0 "[ . 1 . 2]" 1
468 1 38 LYS HB3 1 39 ASN HD21 1.800 . 5.350 4.208 2.358 5.378 0.028 16 0 "[ . 1 . 2]" 1
469 1 38 LYS HB3 1 39 ASN HD22 1.800 . 5.550 4.348 3.540 5.404 . 0 0 "[ . 1 . 2]" 1
470 1 38 LYS HB2 1 39 ASN HD21 1.800 . 5.350 4.360 3.374 5.366 0.016 4 0 "[ . 1 . 2]" 1
471 1 38 LYS HB2 1 39 ASN HD22 1.800 . 5.550 4.600 3.711 5.602 0.052 14 0 "[ . 1 . 2]" 1
472 1 38 LYS QG 1 39 ASN H 1.800 . 5.410 3.908 3.534 4.572 . 0 0 "[ . 1 . 2]" 1
473 1 38 LYS H 1 38 LYS QB 1.800 . 3.130 2.347 2.228 2.515 . 0 0 "[ . 1 . 2]" 1
474 1 38 LYS H 1 38 LYS QD 1.800 . 5.290 3.911 2.031 4.695 . 0 0 "[ . 1 . 2]" 1
475 1 38 LYS H 1 38 LYS QG 1.800 . 4.060 2.968 1.989 4.081 0.021 19 0 "[ . 1 . 2]" 1
476 1 38 LYS H 1 39 ASN H 1.800 . 3.450 2.718 2.664 2.803 . 0 0 "[ . 1 . 2]" 1
477 1 39 ASN QB 1 40 ASP H 1.800 . 4.180 3.077 2.570 3.506 . 0 0 "[ . 1 . 2]" 1
478 1 39 ASN H 1 39 ASN QB 1.800 . 3.670 2.386 2.330 2.420 . 0 0 "[ . 1 . 2]" 1
479 1 39 ASN H 1 39 ASN QD 1.800 . 4.470 2.764 1.794 3.417 0.006 13 0 "[ . 1 . 2]" 1
480 1 39 ASN H 1 40 ASP H 1.800 . 3.550 2.530 2.366 2.720 . 0 0 "[ . 1 . 2]" 1
481 1 40 ASP QB 1 43 PHE QB 1.800 . 5.150 2.623 2.075 3.685 . 0 0 "[ . 1 . 2]" 1
482 1 40 ASP QB 1 43 PHE QD 1.800 . 5.440 3.900 3.303 4.744 . 0 0 "[ . 1 . 2]" 1
483 1 40 ASP QB 1 43 PHE H 1.800 . 5.520 3.703 2.884 4.932 . 0 0 "[ . 1 . 2]" 1
484 1 40 ASP H 1 40 ASP HB3 1.800 . 4.110 3.355 2.240 3.991 . 0 0 "[ . 1 . 2]" 1
485 1 40 ASP H 1 40 ASP HB2 1.800 . 4.110 3.109 2.257 3.759 . 0 0 "[ . 1 . 2]" 1
486 1 41 PRO QD 1 42 SER H 1.800 . 5.000 3.225 2.663 4.983 . 0 0 "[ . 1 . 2]" 1
487 1 41 PRO QG 1 42 SER H 1.800 . 4.600 3.662 2.328 4.613 0.013 7 0 "[ . 1 . 2]" 1
488 1 42 SER QB 1 43 PHE H 1.800 . 4.590 3.441 1.814 4.056 . 0 0 "[ . 1 . 2]" 1
489 1 42 SER H 1 42 SER QB 1.800 . 3.580 2.715 2.251 3.506 . 0 0 "[ . 1 . 2]" 1
490 1 42 SER H 1 43 PHE H 1.800 . 3.470 2.746 2.469 3.235 . 0 0 "[ . 1 . 2]" 1
491 1 43 PHE HA 1 43 PHE QD 1.800 . 4.040 2.490 2.340 3.037 . 0 0 "[ . 1 . 2]" 1
492 1 43 PHE HA 1 44 ASP H 1.800 . 3.600 2.530 2.130 3.556 . 0 0 "[ . 1 . 2]" 1
493 1 43 PHE HA 1 48 TRP HE1 1.800 . 5.750 5.417 3.850 5.808 0.058 13 0 "[ . 1 . 2]" 1
494 1 43 PHE QB 1 44 ASP H 1.800 . 4.000 3.199 1.789 3.828 0.011 14 0 "[ . 1 . 2]" 1
495 1 43 PHE QD 1 44 ASP H 1.800 . 4.590 3.118 2.419 3.652 . 0 0 "[ . 1 . 2]" 1
496 1 43 PHE QD 1 45 PRO HA 1.800 . 5.160 3.931 3.111 5.240 0.080 6 0 "[ . 1 . 2]" 1
497 1 43 PHE QD 1 45 PRO QD 1.800 . 5.510 2.464 2.342 2.692 . 0 0 "[ . 1 . 2]" 1
498 1 43 PHE QD 1 48 TRP HE1 1.800 . 4.970 4.434 2.984 5.098 0.128 16 0 "[ . 1 . 2]" 1
499 1 43 PHE QD 1 53 LEU MD2 1.800 . 6.050 5.311 3.828 6.025 . 0 0 "[ . 1 . 2]" 1
500 1 43 PHE QE 1 45 PRO QB 1.800 . 4.250 3.083 2.326 4.172 . 0 0 "[ . 1 . 2]" 1
501 1 43 PHE QE 1 45 PRO QD 1.800 . 5.410 3.857 2.696 4.358 . 0 0 "[ . 1 . 2]" 1
502 1 43 PHE QE 1 53 LEU MD1 1.800 . 4.770 3.757 2.303 4.617 . 0 0 "[ . 1 . 2]" 1
503 1 43 PHE QE 1 53 LEU MD2 1.800 . 4.520 3.839 2.359 4.486 . 0 0 "[ . 1 . 2]" 1
504 1 43 PHE H 1 43 PHE HB3 1.800 . 3.900 2.733 2.518 3.680 . 0 0 "[ . 1 . 2]" 1
505 1 43 PHE H 1 43 PHE HB2 1.800 . 3.900 2.563 2.318 3.187 . 0 0 "[ . 1 . 2]" 1
506 1 43 PHE H 1 43 PHE QD 1.800 . 4.600 4.200 4.026 4.288 . 0 0 "[ . 1 . 2]" 1
507 1 43 PHE H 1 44 ASP H 1.800 . 5.190 4.189 2.404 4.662 . 0 0 "[ . 1 . 2]" 1
508 1 44 ASP QB 1 47 ASN QD 1.800 . 4.280 3.025 1.820 3.994 . 0 0 "[ . 1 . 2]" 1
509 1 44 ASP QB 1 47 ASN H 1.800 . 4.310 2.958 2.538 4.262 . 0 0 "[ . 1 . 2]" 1
510 1 44 ASP H 1 44 ASP HB3 1.800 . 4.100 3.699 2.659 4.082 . 0 0 "[ . 1 . 2]" 1
511 1 44 ASP H 1 44 ASP HB2 1.800 . 4.100 2.916 2.446 3.829 . 0 0 "[ . 1 . 2]" 1
512 1 44 ASP H 1 45 PRO HA 1.800 . 5.460 4.716 4.303 5.232 . 0 0 "[ . 1 . 2]" 1
513 1 45 PRO HA 1 47 ASN H 1.800 . 4.700 4.278 3.999 4.762 0.062 9 0 "[ . 1 . 2]" 1
514 1 45 PRO HA 1 48 TRP QB 1.800 . 5.000 3.396 2.348 5.089 0.089 11 0 "[ . 1 . 2]" 1
515 1 45 PRO HA 1 48 TRP H 1.800 . 4.800 3.465 3.038 4.720 . 0 0 "[ . 1 . 2]" 1
516 1 45 PRO QB 1 53 LEU MD1 1.800 . 5.240 3.842 2.067 5.332 0.092 8 0 "[ . 1 . 2]" 1
517 1 45 PRO QD 1 46 ARG QG 1.800 . 4.680 3.511 3.000 4.469 . 0 0 "[ . 1 . 2]" 1
518 1 45 PRO HD3 1 46 ARG H 1.800 . 5.290 3.898 3.604 4.315 . 0 0 "[ . 1 . 2]" 1
519 1 45 PRO HD2 1 46 ARG H 1.800 . 5.290 2.681 2.210 3.295 . 0 0 "[ . 1 . 2]" 1
520 1 45 PRO HG3 1 46 ARG H 1.800 . 5.620 4.457 3.537 4.723 . 0 0 "[ . 1 . 2]" 1
521 1 45 PRO HG2 1 46 ARG H 1.800 . 5.620 3.708 2.041 4.401 . 0 0 "[ . 1 . 2]" 1
522 1 46 ARG HA 1 46 ARG HD3 1.800 . 5.470 4.202 2.173 5.465 . 0 0 "[ . 1 . 2]" 1
523 1 46 ARG HA 1 46 ARG HD2 1.800 . 5.470 3.911 2.205 5.002 . 0 0 "[ . 1 . 2]" 1
524 1 46 ARG HA 1 46 ARG QG 1.800 . 3.880 2.583 2.281 3.325 . 0 0 "[ . 1 . 2]" 1
525 1 46 ARG QB 1 46 ARG HE 1.800 . 4.400 3.194 1.783 4.329 0.017 4 0 "[ . 1 . 2]" 1
526 1 46 ARG QB 1 47 ASN H 1.800 . 4.020 2.626 2.321 3.627 . 0 0 "[ . 1 . 2]" 1
527 1 46 ARG QG 1 47 ASN H 1.800 . 5.140 3.932 2.110 4.503 . 0 0 "[ . 1 . 2]" 1
528 1 46 ARG H 1 46 ARG QB 1.800 . 3.610 2.405 2.298 2.615 . 0 0 "[ . 1 . 2]" 1
529 1 46 ARG H 1 46 ARG QD 1.800 . 4.790 3.473 1.680 4.239 0.120 2 0 "[ . 1 . 2]" 1
530 1 46 ARG H 1 46 ARG QG 1.800 . 3.780 2.278 1.822 3.382 . 0 0 "[ . 1 . 2]" 1
531 1 46 ARG H 1 47 ASN H 1.800 . 3.520 2.679 2.537 2.948 . 0 0 "[ . 1 . 2]" 1
532 1 47 ASN QB 1 48 TRP H 1.800 . 4.520 2.823 2.487 3.667 . 0 0 "[ . 1 . 2]" 1
533 1 47 ASN H 1 47 ASN QB 1.800 . 3.250 2.363 2.257 2.549 . 0 0 "[ . 1 . 2]" 1
534 1 47 ASN H 1 47 ASN QD 1.800 . 4.700 3.791 1.950 4.692 . 0 0 "[ . 1 . 2]" 1
535 1 47 ASN H 1 48 TRP H 1.800 . 3.580 2.722 2.548 2.952 . 0 0 "[ . 1 . 2]" 1
536 1 48 TRP HA 1 48 TRP HE3 1.800 . 4.800 3.568 2.425 4.609 . 0 0 "[ . 1 . 2]" 1
537 1 48 TRP HB3 1 49 GLY H 1.800 . 5.480 4.304 3.660 4.578 . 0 0 "[ . 1 . 2]" 1
538 1 48 TRP HB2 1 49 GLY H 1.800 . 5.480 3.907 3.039 4.575 . 0 0 "[ . 1 . 2]" 1
539 1 48 TRP HE3 1 53 LEU HA 1.800 . 6.050 4.954 2.939 6.293 0.243 6 0 "[ . 1 . 2]" 1
540 1 48 TRP H 1 48 TRP QB 1.800 . 3.730 2.487 2.152 3.106 . 0 0 "[ . 1 . 2]" 1
541 1 48 TRP HZ3 1 56 MET QB 1.800 . 5.500 4.160 2.537 5.621 0.121 6 0 "[ . 1 . 2]" 1
542 1 49 GLY H 1 50 HIS H 1.800 . 5.250 3.678 1.905 4.538 . 0 0 "[ . 1 . 2]" 1
543 1 50 HIS HA 1 51 GLY H 1.800 . 3.630 2.878 2.181 3.565 . 0 0 "[ . 1 . 2]" 1
544 1 50 HIS QB 1 51 GLY H 1.800 . 4.200 3.325 1.814 4.072 . 0 0 "[ . 1 . 2]" 1
545 1 51 GLY QA 1 52 ARG HA 1.800 . 5.300 4.135 4.043 4.417 . 0 0 "[ . 1 . 2]" 1
546 1 51 GLY H 1 52 ARG H 1.800 . 4.250 2.739 1.680 4.128 0.120 9 0 "[ . 1 . 2]" 1
547 1 52 ARG HA 1 55 GLN QB 1.800 . 4.300 2.988 2.451 4.405 0.105 20 0 "[ . 1 . 2]" 1
548 1 52 ARG HA 1 55 GLN H 1.800 . 4.600 3.237 2.992 4.619 0.019 20 0 "[ . 1 . 2]" 1
549 1 52 ARG QB 1 52 ARG QD 1.800 . 3.480 2.278 2.065 2.723 . 0 0 "[ . 1 . 2]" 1
550 1 52 ARG QB 1 53 LEU H 1.800 . 4.300 3.087 1.741 3.850 0.059 20 0 "[ . 1 . 2]" 1
551 1 52 ARG H 1 52 ARG QB 1.800 . 3.870 2.472 2.198 3.291 . 0 0 "[ . 1 . 2]" 1
552 1 52 ARG H 1 52 ARG QD 1.800 . 5.700 4.157 2.889 5.042 . 0 0 "[ . 1 . 2]" 1
553 1 52 ARG H 1 52 ARG QG 1.800 . 4.480 3.127 1.994 4.299 . 0 0 "[ . 1 . 2]" 1
554 1 52 ARG H 1 53 LEU H 1.800 . 5.360 2.908 2.556 4.618 . 0 0 "[ . 1 . 2]" 1
555 1 53 LEU HA 1 53 LEU MD1 1.800 . 4.000 2.221 2.158 2.472 . 0 0 "[ . 1 . 2]" 1
556 1 53 LEU HA 1 53 LEU MD2 1.800 . 4.540 3.837 3.778 3.874 . 0 0 "[ . 1 . 2]" 1
557 1 53 LEU HA 1 56 MET QB 1.800 . 3.890 2.539 2.301 2.774 . 0 0 "[ . 1 . 2]" 1
558 1 53 LEU HA 1 56 MET H 1.800 . 4.630 3.224 2.883 3.365 . 0 0 "[ . 1 . 2]" 1
559 1 53 LEU QB 1 53 LEU MD2 1.800 . 3.340 2.092 2.078 2.135 . 0 0 "[ . 1 . 2]" 1
560 1 53 LEU QB 1 54 SER H 1.800 . 3.980 2.560 2.467 2.703 . 0 0 "[ . 1 . 2]" 1
561 1 53 LEU HB3 1 53 LEU MD1 1.800 . 4.440 3.228 3.193 3.237 . 0 0 "[ . 1 . 2]" 1
562 1 53 LEU HB2 1 53 LEU MD1 1.800 . 4.440 2.340 2.248 2.399 . 0 0 "[ . 1 . 2]" 1
563 1 53 LEU H 1 53 LEU MD2 1.800 . 5.440 4.186 3.622 4.376 . 0 0 "[ . 1 . 2]" 1
564 1 53 LEU H 1 53 LEU HG 1.800 . 5.750 4.381 3.791 4.546 . 0 0 "[ . 1 . 2]" 1
565 1 53 LEU H 1 54 SER H 1.800 . 4.620 2.675 2.601 2.817 . 0 0 "[ . 1 . 2]" 1
566 1 54 SER QB 1 55 GLN H 1.800 . 4.000 3.019 2.464 3.550 . 0 0 "[ . 1 . 2]" 1
567 1 54 SER H 1 54 SER QB 1.800 . 3.590 2.376 2.217 2.561 . 0 0 "[ . 1 . 2]" 1
568 1 54 SER H 1 55 GLN H 1.800 . 4.650 2.694 2.595 2.806 . 0 0 "[ . 1 . 2]" 1
569 1 55 GLN HA 1 55 GLN QG 1.800 . 3.940 2.593 2.331 2.905 . 0 0 "[ . 1 . 2]" 1
570 1 55 GLN HA 1 58 LYS QB 1.800 . 4.420 2.437 2.231 2.773 . 0 0 "[ . 1 . 2]" 1
571 1 55 GLN HA 1 58 LYS H 1.800 . 5.480 3.332 3.205 3.492 . 0 0 "[ . 1 . 2]" 1
572 1 55 GLN QB 1 56 MET H 1.800 . 3.710 2.756 2.542 2.905 . 0 0 "[ . 1 . 2]" 1
573 1 55 GLN QG 1 56 MET H 1.800 . 4.950 4.105 3.760 4.673 . 0 0 "[ . 1 . 2]" 1
574 1 55 GLN QG 1 58 LYS QB 1.800 . 5.000 4.015 3.059 4.959 . 0 0 "[ . 1 . 2]" 1
575 1 55 GLN H 1 55 GLN QG 1.800 . 4.490 2.977 2.071 4.085 . 0 0 "[ . 1 . 2]" 1
576 1 55 GLN H 1 56 MET H 1.800 . 3.770 2.501 2.340 2.653 . 0 0 "[ . 1 . 2]" 1
577 1 56 MET HA 1 59 LYS QB 1.800 . 5.290 3.837 2.507 4.967 . 0 0 "[ . 1 . 2]" 1
578 1 56 MET HA 1 59 LYS H 1.800 . 5.240 3.804 3.240 4.264 . 0 0 "[ . 1 . 2]" 1
579 1 56 MET QB 1 57 VAL H 1.800 . 3.880 2.466 2.369 2.692 . 0 0 "[ . 1 . 2]" 1
580 1 56 MET QG 1 57 VAL H 1.800 . 5.270 3.811 3.509 4.329 . 0 0 "[ . 1 . 2]" 1
581 1 56 MET H 1 56 MET QB 1.800 . 3.840 2.286 2.218 2.381 . 0 0 "[ . 1 . 2]" 1
582 1 56 MET H 1 56 MET QG 1.800 . 5.380 3.625 2.274 4.092 . 0 0 "[ . 1 . 2]" 1
583 1 57 VAL HA 1 57 VAL MG1 1.800 . 3.540 2.330 2.297 2.408 . 0 0 "[ . 1 . 2]" 1
584 1 57 VAL HA 1 57 VAL MG2 1.800 . 3.960 3.201 3.192 3.208 . 0 0 "[ . 1 . 2]" 1
585 1 57 VAL HA 1 60 LEU MD1 1.800 . 3.710 2.348 2.144 2.821 . 0 0 "[ . 1 . 2]" 1
586 1 57 VAL HA 1 60 LEU MD2 1.800 . 5.140 4.228 3.757 4.857 . 0 0 "[ . 1 . 2]" 1
587 1 57 VAL HA 1 60 LEU HG 1.800 . 5.000 2.884 2.393 4.267 . 0 0 "[ . 1 . 2]" 1
588 1 57 VAL HA 1 60 LEU H 1.800 . 4.810 3.529 3.265 4.589 . 0 0 "[ . 1 . 2]" 1
589 1 57 VAL HA 1 63 LEU MD1 1.800 . 4.300 3.657 2.678 4.393 0.093 5 0 "[ . 1 . 2]" 1
590 1 57 VAL HB 1 60 LEU MD1 1.800 . 5.160 3.460 2.372 4.780 . 0 0 "[ . 1 . 2]" 1
591 1 57 VAL HB 1 63 LEU QB 1.800 . 4.800 3.060 2.349 3.514 . 0 0 "[ . 1 . 2]" 1
592 1 57 VAL HB 1 63 LEU MD1 1.800 . 3.750 2.649 2.115 3.070 . 0 0 "[ . 1 . 2]" 1
593 1 57 VAL MG1 1 58 LYS H 1.800 . 4.580 4.030 3.814 4.123 . 0 0 "[ . 1 . 2]" 1
594 1 57 VAL MG1 1 60 LEU MD1 1.800 . 3.750 2.848 2.396 3.568 . 0 0 "[ . 1 . 2]" 1
595 1 57 VAL MG1 1 63 LEU MD1 1.800 . 3.600 2.943 2.297 3.515 . 0 0 "[ . 1 . 2]" 1
596 1 57 VAL MG2 1 58 LYS HA 1.800 . 3.850 3.346 3.132 3.610 . 0 0 "[ . 1 . 2]" 1
597 1 57 VAL MG2 1 58 LYS H 1.800 . 4.060 2.336 1.894 2.721 . 0 0 "[ . 1 . 2]" 1
598 1 57 VAL MG2 1 63 LEU MD1 1.800 . 4.800 3.858 2.914 4.362 . 0 0 "[ . 1 . 2]" 1
599 1 57 VAL H 1 57 VAL MG1 1.800 . 3.610 2.236 1.981 2.353 . 0 0 "[ . 1 . 2]" 1
600 1 57 VAL H 1 57 VAL MG2 1.800 . 3.420 1.842 1.795 2.033 0.005 11 0 "[ . 1 . 2]" 1
601 1 57 VAL H 1 58 LYS H 1.800 . 4.250 2.566 2.486 2.710 . 0 0 "[ . 1 . 2]" 1
602 1 58 LYS HA 1 58 LYS QG 1.800 . 3.640 2.337 2.310 2.370 . 0 0 "[ . 1 . 2]" 1
603 1 58 LYS HA 1 65 VAL HB 1.800 . 5.390 4.128 3.666 4.809 . 0 0 "[ . 1 . 2]" 1
604 1 58 LYS HA 1 65 VAL MG1 1.800 . 4.390 4.217 3.733 4.588 0.198 15 0 "[ . 1 . 2]" 1
605 1 58 LYS HA 1 65 VAL MG2 1.800 . 4.050 2.352 2.197 2.886 . 0 0 "[ . 1 . 2]" 1
606 1 58 LYS QB 1 58 LYS QE 1.800 . 3.950 3.344 2.158 3.657 . 0 0 "[ . 1 . 2]" 1
607 1 58 LYS QB 1 59 LYS H 1.800 . 3.980 2.777 2.496 3.024 . 0 0 "[ . 1 . 2]" 1
608 1 58 LYS QE 1 65 VAL MG1 1.800 . 5.400 4.723 3.119 5.326 . 0 0 "[ . 1 . 2]" 1
609 1 58 LYS QG 1 59 LYS HA 1.800 . 4.370 3.860 3.682 4.006 . 0 0 "[ . 1 . 2]" 1
610 1 58 LYS QG 1 59 LYS H 1.800 . 4.430 3.900 3.656 4.095 . 0 0 "[ . 1 . 2]" 1
611 1 58 LYS QG 1 65 VAL HB 1.800 . 5.270 3.630 2.973 5.080 . 0 0 "[ . 1 . 2]" 1
612 1 58 LYS QG 1 65 VAL MG2 1.800 . 4.110 3.127 2.368 3.949 . 0 0 "[ . 1 . 2]" 1
613 1 58 LYS H 1 58 LYS QB 1.800 . 3.420 2.260 2.241 2.288 . 0 0 "[ . 1 . 2]" 1
614 1 58 LYS H 1 58 LYS QG 1.800 . 4.570 3.976 3.967 3.994 . 0 0 "[ . 1 . 2]" 1
615 1 58 LYS H 1 59 LYS H 1.800 . 3.770 2.673 2.551 2.840 . 0 0 "[ . 1 . 2]" 1
616 1 58 LYS H 1 65 VAL MG2 1.800 . 5.200 3.349 2.914 3.788 . 0 0 "[ . 1 . 2]" 1
617 1 59 LYS HA 1 59 LYS QD 1.800 . 4.600 3.613 2.236 4.526 . 0 0 "[ . 1 . 2]" 1
618 1 59 LYS QB 1 60 LEU H 1.800 . 4.000 3.209 2.455 4.025 0.025 17 0 "[ . 1 . 2]" 1
619 1 59 LYS H 1 59 LYS QB 1.800 . 3.880 2.390 2.233 2.911 . 0 0 "[ . 1 . 2]" 1
620 1 59 LYS H 1 59 LYS QG 1.800 . 4.460 2.950 1.785 4.102 0.015 6 0 "[ . 1 . 2]" 1
621 1 59 LYS H 1 60 LEU H 1.800 . 3.590 2.612 2.396 3.398 . 0 0 "[ . 1 . 2]" 1
622 1 60 LEU HA 1 60 LEU MD1 1.800 . 4.910 3.837 3.773 3.859 . 0 0 "[ . 1 . 2]" 1
623 1 60 LEU HA 1 60 LEU MD2 1.800 . 3.800 2.189 2.150 2.311 . 0 0 "[ . 1 . 2]" 1
624 1 60 LEU HA 1 61 ASP H 1.800 . 3.440 2.473 2.165 3.382 . 0 0 "[ . 1 . 2]" 1
625 1 60 LEU QB 1 63 LEU HG 1.800 . 5.320 3.829 2.986 5.431 0.111 15 0 "[ . 1 . 2]" 1
626 1 60 LEU HB3 1 60 LEU MD1 1.800 . 4.610 2.419 2.353 2.623 . 0 0 "[ . 1 . 2]" 1
627 1 60 LEU HB2 1 60 LEU MD1 1.800 . 4.610 2.330 2.273 2.392 . 0 0 "[ . 1 . 2]" 1
628 1 60 LEU MD1 1 62 PHE QE 1.800 . 4.770 3.217 2.345 4.181 . 0 0 "[ . 1 . 2]" 1
629 1 60 LEU MD1 1 62 PHE HZ 1.800 . 3.960 2.707 2.351 3.866 . 0 0 "[ . 1 . 2]" 1
630 1 60 LEU MD2 1 61 ASP H 1.800 . 4.870 4.079 3.657 4.978 0.108 15 0 "[ . 1 . 2]" 1
631 1 60 LEU MD2 1 62 PHE QE 1.800 . 4.440 2.653 2.355 3.990 . 0 0 "[ . 1 . 2]" 1
632 1 60 LEU MD2 1 62 PHE HZ 1.800 . 4.680 3.350 2.385 4.761 0.081 15 0 "[ . 1 . 2]" 1
633 1 60 LEU H 1 60 LEU QB 1.800 . 3.720 2.496 2.222 2.661 . 0 0 "[ . 1 . 2]" 1
634 1 60 LEU H 1 60 LEU MD1 1.800 . 5.050 3.692 3.500 4.394 . 0 0 "[ . 1 . 2]" 1
635 1 60 LEU H 1 60 LEU MD2 1.800 . 4.800 3.506 3.134 4.576 . 0 0 "[ . 1 . 2]" 1
636 1 60 LEU H 1 60 LEU HG 1.800 . 3.970 2.463 1.992 4.044 0.074 17 0 "[ . 1 . 2]" 1
637 1 61 ASP H 1 62 PHE H 1.800 . 4.600 3.160 2.399 4.641 0.041 17 0 "[ . 1 . 2]" 1
638 1 62 PHE HA 1 80 LEU MD2 1.800 . 6.050 5.473 5.019 6.033 . 0 0 "[ . 1 . 2]" 1
639 1 62 PHE HA 1 81 ARG HB3 1.800 . 5.400 3.590 2.389 5.218 . 0 0 "[ . 1 . 2]" 1
640 1 62 PHE HA 1 81 ARG HB2 1.800 . 5.400 3.877 2.733 5.605 0.205 15 0 "[ . 1 . 2]" 1
641 1 62 PHE HA 1 81 ARG H 1.800 . 5.160 4.294 3.099 5.259 0.099 15 0 "[ . 1 . 2]" 1
642 1 62 PHE HB3 1 80 LEU MD2 1.800 . 6.050 5.702 5.207 6.118 0.068 6 0 "[ . 1 . 2]" 1
643 1 62 PHE HB2 1 80 LEU MD2 1.800 . 6.050 4.329 3.800 4.872 . 0 0 "[ . 1 . 2]" 1
644 1 62 PHE QD 1 63 LEU MD2 1.800 . 4.540 3.573 2.435 4.644 0.104 15 0 "[ . 1 . 2]" 1
645 1 62 PHE QD 1 80 LEU MD1 1.800 . 4.900 3.962 2.584 4.977 0.077 2 0 "[ . 1 . 2]" 1
646 1 62 PHE QD 1 80 LEU MD2 1.800 . 3.880 2.832 2.362 3.818 . 0 0 "[ . 1 . 2]" 1
647 1 62 PHE QE 1 63 LEU MD1 1.800 . 5.430 2.932 2.259 5.493 0.063 12 0 "[ . 1 . 2]" 1
648 1 62 PHE H 1 62 PHE QD 1.800 . 3.750 2.201 1.872 3.440 . 0 0 "[ . 1 . 2]" 1
649 1 62 PHE H 1 63 LEU H 1.800 . 3.860 2.929 1.777 3.200 0.023 15 0 "[ . 1 . 2]" 1
650 1 63 LEU HA 1 63 LEU MD1 1.800 . 5.260 3.549 2.258 3.839 . 0 0 "[ . 1 . 2]" 1
651 1 63 LEU HA 1 63 LEU MD2 1.800 . 4.800 2.279 2.169 2.327 . 0 0 "[ . 1 . 2]" 1
652 1 63 LEU HA 1 64 THR H 1.800 . 3.710 2.171 2.149 2.258 . 0 0 "[ . 1 . 2]" 1
653 1 63 LEU HA 1 80 LEU MD2 1.800 . 4.880 3.546 3.133 4.109 . 0 0 "[ . 1 . 2]" 1
654 1 63 LEU HA 1 81 ARG HB3 1.800 . 5.600 4.694 3.607 5.734 0.134 2 0 "[ . 1 . 2]" 1
655 1 63 LEU HA 1 81 ARG HB2 1.800 . 5.600 4.276 3.154 5.769 0.169 14 0 "[ . 1 . 2]" 1
656 1 63 LEU HA 1 81 ARG H 1.800 . 4.300 2.898 2.236 3.393 . 0 0 "[ . 1 . 2]" 1
657 1 63 LEU QB 1 63 LEU MD1 1.800 . 3.620 2.164 2.123 2.321 . 0 0 "[ . 1 . 2]" 1
658 1 63 LEU QB 1 64 THR H 1.800 . 3.970 3.372 2.906 3.885 . 0 0 "[ . 1 . 2]" 1
659 1 63 LEU QB 1 79 ARG H 1.800 . 6.050 4.495 3.716 5.667 . 0 0 "[ . 1 . 2]" 1
660 1 63 LEU HB3 1 63 LEU MD2 1.800 . 4.400 2.459 2.242 3.243 . 0 0 "[ . 1 . 2]" 1
661 1 63 LEU HB3 1 78 ILE HB 1.800 . 6.050 4.185 3.367 5.894 . 0 0 "[ . 1 . 2]" 1
662 1 63 LEU HB2 1 63 LEU MD2 1.800 . 4.400 3.013 2.274 3.222 . 0 0 "[ . 1 . 2]" 1
663 1 63 LEU HB2 1 78 ILE HB 1.800 . 6.050 5.681 4.870 6.267 0.217 5 0 "[ . 1 . 2]" 1
664 1 63 LEU MD1 1 64 THR H 1.800 . 5.300 4.628 2.338 5.284 . 0 0 "[ . 1 . 2]" 1
665 1 63 LEU MD1 1 65 VAL MG2 1.800 . 5.200 4.276 2.275 4.923 . 0 0 "[ . 1 . 2]" 1
666 1 63 LEU MD1 1 78 ILE HB 1.800 . 4.940 4.147 2.218 5.087 0.147 16 0 "[ . 1 . 2]" 1
667 1 63 LEU MD1 1 78 ILE MD 1.800 . 4.400 3.776 2.545 4.439 0.039 17 0 "[ . 1 . 2]" 1
668 1 63 LEU MD1 1 78 ILE MG 1.800 . 5.160 4.224 2.495 4.928 . 0 0 "[ . 1 . 2]" 1
669 1 63 LEU MD2 1 80 LEU HA 1.800 . 4.170 2.611 2.205 3.125 . 0 0 "[ . 1 . 2]" 1
670 1 63 LEU MD2 1 80 LEU MD2 1.800 . 3.520 2.126 1.922 2.636 . 0 0 "[ . 1 . 2]" 1
671 1 63 LEU MD2 1 80 LEU H 1.800 . 5.170 4.147 3.441 5.354 0.184 11 0 "[ . 1 . 2]" 1
672 1 63 LEU HG 1 64 THR H 1.800 . 5.270 4.688 4.391 5.090 . 0 0 "[ . 1 . 2]" 1
673 1 63 LEU HG 1 80 LEU MD2 1.800 . 4.800 3.263 2.355 4.848 0.048 12 0 "[ . 1 . 2]" 1
674 1 63 LEU H 1 63 LEU QB 1.800 . 3.790 2.588 2.465 2.643 . 0 0 "[ . 1 . 2]" 1
675 1 63 LEU H 1 63 LEU MD1 1.800 . 5.100 4.078 3.899 4.437 . 0 0 "[ . 1 . 2]" 1
676 1 63 LEU H 1 63 LEU HG 1.800 . 5.000 3.860 3.418 4.984 . 0 0 "[ . 1 . 2]" 1
677 1 63 LEU H 1 80 LEU HA 1.800 . 6.050 5.663 5.116 6.120 0.070 11 0 "[ . 1 . 2]" 1
678 1 63 LEU H 1 81 ARG QB 1.800 . 5.250 4.239 3.280 5.514 0.264 17 0 "[ . 1 . 2]" 1
679 1 63 LEU H 1 81 ARG QD 1.800 . 6.050 4.760 3.043 6.254 0.204 17 0 "[ . 1 . 2]" 1
680 1 64 THR HA 1 64 THR MG 1.800 . 3.740 2.322 2.302 2.345 . 0 0 "[ . 1 . 2]" 1
681 1 64 THR HA 1 65 VAL H 1.800 . 3.300 2.239 2.215 2.270 . 0 0 "[ . 1 . 2]" 1
682 1 64 THR HB 1 65 VAL H 1.800 . 5.570 4.083 3.937 4.272 . 0 0 "[ . 1 . 2]" 1
683 1 64 THR HB 1 78 ILE HB 1.800 . 6.050 5.656 4.874 6.114 0.064 14 0 "[ . 1 . 2]" 1
684 1 64 THR HB 1 79 ARG HD2 1.800 . 6.050 5.261 3.885 6.148 0.098 19 0 "[ . 1 . 2]" 1
685 1 64 THR HB 1 79 ARG QG 1.800 . 4.800 4.108 2.150 4.700 . 0 0 "[ . 1 . 2]" 1
686 1 64 THR HB 1 79 ARG H 1.800 . 5.090 3.126 2.480 3.437 . 0 0 "[ . 1 . 2]" 1
687 1 64 THR MG 1 65 VAL H 1.800 . 3.970 2.546 2.338 2.943 . 0 0 "[ . 1 . 2]" 1
688 1 64 THR MG 1 79 ARG H 1.800 . 4.910 4.235 3.765 4.558 . 0 0 "[ . 1 . 2]" 1
689 1 64 THR H 1 64 THR HB 1.800 . 4.030 2.513 2.490 2.545 . 0 0 "[ . 1 . 2]" 1
690 1 64 THR H 1 64 THR MG 1.800 . 4.350 3.802 3.782 3.818 . 0 0 "[ . 1 . 2]" 1
691 1 64 THR H 1 79 ARG QG 1.800 . 5.300 4.818 3.381 5.308 0.008 10 0 "[ . 1 . 2]" 1
692 1 64 THR H 1 79 ARG H 1.800 . 3.650 3.094 2.712 3.369 . 0 0 "[ . 1 . 2]" 1
693 1 64 THR H 1 80 LEU HA 1.800 . 4.390 3.637 3.174 4.095 . 0 0 "[ . 1 . 2]" 1
694 1 64 THR H 1 81 ARG H 1.800 . 4.910 3.433 2.475 4.402 . 0 0 "[ . 1 . 2]" 1
695 1 65 VAL HA 1 65 VAL MG1 1.800 . 3.660 2.339 2.301 2.437 . 0 0 "[ . 1 . 2]" 1
696 1 65 VAL HA 1 65 VAL MG2 1.800 . 4.070 2.361 2.312 2.420 . 0 0 "[ . 1 . 2]" 1
697 1 65 VAL HA 1 66 GLN H 1.800 . 3.530 2.174 2.157 2.194 . 0 0 "[ . 1 . 2]" 1
698 1 65 VAL HA 1 77 GLU QB 1.800 . 6.050 5.123 4.677 5.646 . 0 0 "[ . 1 . 2]" 1
699 1 65 VAL HA 1 77 GLU H 1.800 . 5.780 4.761 4.257 5.335 . 0 0 "[ . 1 . 2]" 1
700 1 65 VAL HA 1 78 ILE HA 1.800 . 3.980 2.821 2.633 3.003 . 0 0 "[ . 1 . 2]" 1
701 1 65 VAL HA 1 78 ILE MG 1.800 . 3.950 2.767 2.367 3.403 . 0 0 "[ . 1 . 2]" 1
702 1 65 VAL HA 1 79 ARG H 1.800 . 4.680 4.203 4.057 4.331 . 0 0 "[ . 1 . 2]" 1
703 1 65 VAL MG1 1 66 GLN H 1.800 . 4.040 2.662 2.570 2.997 . 0 0 "[ . 1 . 2]" 1
704 1 65 VAL MG1 1 76 SER HA 1.800 . 5.870 4.751 4.193 5.325 . 0 0 "[ . 1 . 2]" 1
705 1 65 VAL MG1 1 76 SER QB 1.800 . 4.800 4.117 3.380 4.717 . 0 0 "[ . 1 . 2]" 1
706 1 65 VAL MG1 1 77 GLU H 1.800 . 5.000 3.880 3.313 4.421 . 0 0 "[ . 1 . 2]" 1
707 1 65 VAL MG2 1 66 GLN H 1.800 . 5.100 4.031 3.908 4.221 . 0 0 "[ . 1 . 2]" 1
708 1 65 VAL MG2 1 76 SER QB 1.800 . 5.870 5.739 5.051 6.020 0.150 20 0 "[ . 1 . 2]" 1
709 1 65 VAL MG2 1 78 ILE HA 1.800 . 4.920 3.858 3.408 4.385 . 0 0 "[ . 1 . 2]" 1
710 1 65 VAL MG2 1 78 ILE MG 1.800 . 5.000 2.496 2.269 2.968 . 0 0 "[ . 1 . 2]" 1
711 1 65 VAL H 1 65 VAL HB 1.800 . 3.780 2.600 2.511 2.700 . 0 0 "[ . 1 . 2]" 1
712 1 65 VAL H 1 65 VAL MG1 1.800 . 4.570 3.863 3.824 3.902 . 0 0 "[ . 1 . 2]" 1
713 1 65 VAL H 1 65 VAL MG2 1.800 . 4.000 2.676 2.429 2.888 . 0 0 "[ . 1 . 2]" 1
714 1 65 VAL H 1 66 GLN H 1.800 . 5.360 4.402 4.330 4.449 . 0 0 "[ . 1 . 2]" 1
715 1 66 GLN HA 1 67 GLU H 1.800 . 3.320 2.278 2.158 2.379 . 0 0 "[ . 1 . 2]" 1
716 1 66 GLN QB 1 67 GLU H 1.800 . 4.310 3.157 2.648 3.863 . 0 0 "[ . 1 . 2]" 1
717 1 66 GLN H 1 77 GLU HB3 1.800 . 6.050 4.866 4.464 5.232 . 0 0 "[ . 1 . 2]" 1
718 1 66 GLN H 1 77 GLU HB2 1.800 . 6.050 3.811 3.298 4.242 . 0 0 "[ . 1 . 2]" 1
719 1 66 GLN H 1 77 GLU QG 1.800 . 6.050 5.447 5.010 5.925 . 0 0 "[ . 1 . 2]" 1
720 1 66 GLN H 1 77 GLU H 1.800 . 4.080 3.252 2.881 3.648 . 0 0 "[ . 1 . 2]" 1
721 1 66 GLN H 1 78 ILE HA 1.800 . 4.960 3.555 3.107 3.970 . 0 0 "[ . 1 . 2]" 1
722 1 66 GLN H 1 78 ILE MG 1.800 . 4.850 3.753 3.191 4.396 . 0 0 "[ . 1 . 2]" 1
723 1 67 GLU HA 1 68 SER H 1.800 . 3.510 2.219 2.146 2.339 . 0 0 "[ . 1 . 2]" 1
724 1 67 GLU HA 1 74 LEU QD 1.800 . 5.170 4.227 3.008 5.294 0.124 3 0 "[ . 1 . 2]" 1
725 1 67 GLU HA 1 76 SER HA 1.800 . 3.210 2.492 2.361 3.173 . 0 0 "[ . 1 . 2]" 1
726 1 67 GLU HA 1 77 GLU H 1.800 . 4.400 3.186 2.523 3.940 . 0 0 "[ . 1 . 2]" 1
727 1 67 GLU QB 1 68 SER H 1.800 . 4.260 3.143 2.659 3.855 . 0 0 "[ . 1 . 2]" 1
728 1 67 GLU QB 1 74 LEU HA 1.800 . 5.860 5.137 4.075 6.054 0.194 5 0 "[ . 1 . 2]" 1
729 1 67 GLU QB 1 74 LEU HB3 1.800 . 5.060 3.984 2.529 5.213 0.153 12 0 "[ . 1 . 2]" 1
730 1 67 GLU QB 1 74 LEU HB2 1.800 . 5.060 3.996 2.825 5.212 0.152 10 0 "[ . 1 . 2]" 1
731 1 67 GLU QB 1 76 SER HA 1.800 . 4.950 3.484 2.111 4.338 . 0 0 "[ . 1 . 2]" 1
732 1 67 GLU HB3 1 74 LEU QD 1.800 . 4.800 2.934 2.063 4.652 . 0 0 "[ . 1 . 2]" 1
733 1 67 GLU HB2 1 74 LEU QD 1.800 . 4.800 3.422 2.203 4.484 . 0 0 "[ . 1 . 2]" 1
734 1 67 GLU QG 1 68 SER H 1.800 . 5.380 4.038 2.925 4.693 . 0 0 "[ . 1 . 2]" 1
735 1 67 GLU QG 1 74 LEU HB3 1.800 . 6.050 4.770 2.167 6.036 . 0 0 "[ . 1 . 2]" 1
736 1 67 GLU QG 1 74 LEU HB2 1.800 . 6.050 4.718 3.386 6.144 0.094 15 0 "[ . 1 . 2]" 1
737 1 67 GLU QG 1 77 GLU H 1.800 . 5.400 4.372 3.177 5.365 . 0 0 "[ . 1 . 2]" 1
738 1 67 GLU HG3 1 74 LEU MD1 1.800 . 5.200 4.293 2.979 5.195 . 0 0 "[ . 1 . 2]" 1
739 1 67 GLU HG3 1 74 LEU MD2 1.800 . 5.200 4.293 2.593 5.311 0.111 17 0 "[ . 1 . 2]" 1
740 1 67 GLU HG3 1 76 SER HA 1.800 . 4.400 3.840 2.403 4.663 0.263 14 0 "[ . 1 . 2]" 1
741 1 67 GLU HG2 1 74 LEU MD1 1.800 . 5.000 4.019 2.415 5.143 0.143 14 0 "[ . 1 . 2]" 1
742 1 67 GLU HG2 1 74 LEU MD2 1.800 . 5.000 4.132 2.401 5.056 0.056 20 0 "[ . 1 . 2]" 1
743 1 67 GLU HG2 1 76 SER HA 1.800 . 5.000 4.068 2.420 5.135 0.135 18 0 "[ . 1 . 2]" 1
744 1 67 GLU H 1 67 GLU QB 1.800 . 3.890 2.622 2.358 3.238 . 0 0 "[ . 1 . 2]" 1
745 1 67 GLU H 1 67 GLU QG 1.800 . 4.430 2.979 2.133 4.000 . 0 0 "[ . 1 . 2]" 1
746 1 67 GLU H 1 74 LEU QD 1.800 . 5.610 5.252 4.647 5.729 0.119 5 0 "[ . 1 . 2]" 1
747 1 68 SER HA 1 69 ARG H 1.800 . 3.320 2.253 2.152 2.352 . 0 0 "[ . 1 . 2]" 1
748 1 68 SER HA 1 75 HIS H 1.800 . 5.400 5.077 3.590 5.430 0.030 12 0 "[ . 1 . 2]" 1
749 1 68 SER QB 1 69 ARG H 1.800 . 4.540 3.129 2.674 3.814 . 0 0 "[ . 1 . 2]" 1
750 1 68 SER QB 1 75 HIS HB3 1.800 . 5.600 4.480 2.366 5.551 . 0 0 "[ . 1 . 2]" 1
751 1 68 SER QB 1 75 HIS HB2 1.800 . 5.600 3.650 2.392 5.732 0.132 18 0 "[ . 1 . 2]" 1
752 1 68 SER QB 1 75 HIS H 1.800 . 5.010 3.927 2.904 4.854 . 0 0 "[ . 1 . 2]" 1
753 1 68 SER H 1 68 SER QB 1.800 . 3.590 2.567 2.285 3.120 . 0 0 "[ . 1 . 2]" 1
754 1 68 SER H 1 74 LEU QB 1.800 . 5.490 4.348 3.211 5.611 0.121 12 0 "[ . 1 . 2]" 1
755 1 68 SER H 1 75 HIS QB 1.800 . 4.830 3.779 3.057 4.473 . 0 0 "[ . 1 . 2]" 1
756 1 68 SER H 1 75 HIS H 1.800 . 4.200 3.476 2.718 3.917 . 0 0 "[ . 1 . 2]" 1
757 1 68 SER H 1 76 SER HA 1.800 . 4.580 3.616 3.143 4.440 . 0 0 "[ . 1 . 2]" 1
758 1 69 ARG QB 1 69 ARG HE 1.800 . 5.070 3.701 1.851 4.524 . 0 0 "[ . 1 . 2]" 1
759 1 69 ARG QB 1 70 ASN H 1.800 . 4.430 3.290 2.936 3.866 . 0 0 "[ . 1 . 2]" 1
760 1 69 ARG QG 1 70 ASN H 1.800 . 5.730 4.021 1.794 4.781 0.006 18 0 "[ . 1 . 2]" 1
761 1 70 ASN HA 1 71 GLY H 1.800 . 3.320 2.249 2.166 2.442 . 0 0 "[ . 1 . 2]" 1
762 1 70 ASN QB 1 71 GLY H 1.800 . 4.100 3.684 2.675 4.037 . 0 0 "[ . 1 . 2]" 1
763 1 70 ASN H 1 71 GLY H 1.800 . 5.100 3.945 3.572 4.640 . 0 0 "[ . 1 . 2]" 1
764 1 71 GLY QA 1 72 SER H 1.800 . 3.440 2.190 2.142 2.306 . 0 0 "[ . 1 . 2]" 1
765 1 72 SER QB 1 73 LYS H 1.800 . 4.610 3.637 3.220 3.926 . 0 0 "[ . 1 . 2]" 1
766 1 72 SER H 1 73 LYS H 1.800 . 3.960 2.468 2.239 3.029 . 0 0 "[ . 1 . 2]" 1
767 1 73 LYS QB 1 74 LEU H 1.800 . 4.210 3.605 2.701 3.904 . 0 0 "[ . 1 . 2]" 1
768 1 73 LYS H 1 73 LYS QB 1.800 . 3.600 2.556 2.337 3.251 . 0 0 "[ . 1 . 2]" 1
769 1 73 LYS H 1 73 LYS QG 1.800 . 4.130 3.707 2.240 4.214 0.084 20 0 "[ . 1 . 2]" 1
770 1 73 LYS H 1 74 LEU H 1.800 . 4.860 4.320 3.968 4.634 . 0 0 "[ . 1 . 2]" 1
771 1 74 LEU HA 1 74 LEU QD 1.800 . 4.350 2.874 2.138 3.467 . 0 0 "[ . 1 . 2]" 1
772 1 74 LEU HA 1 75 HIS H 1.800 . 3.660 2.255 2.179 2.551 . 0 0 "[ . 1 . 2]" 1
773 1 74 LEU QB 1 75 HIS H 1.800 . 4.580 3.100 2.254 3.785 . 0 0 "[ . 1 . 2]" 1
774 1 74 LEU QD 1 75 HIS H 1.800 . 4.850 3.427 2.133 4.396 . 0 0 "[ . 1 . 2]" 1
775 1 74 LEU H 1 74 LEU QB 1.800 . 3.590 2.538 2.257 3.005 . 0 0 "[ . 1 . 2]" 1
776 1 74 LEU H 1 75 HIS H 1.800 . 5.000 4.589 4.323 4.654 . 0 0 "[ . 1 . 2]" 1
777 1 75 HIS HA 1 76 SER H 1.800 . 3.310 2.192 2.157 2.292 . 0 0 "[ . 1 . 2]" 1
778 1 75 HIS QB 1 76 SER H 1.800 . 4.140 3.453 3.036 3.997 . 0 0 "[ . 1 . 2]" 1
779 1 76 SER HA 1 77 GLU H 1.800 . 3.400 2.301 2.221 2.371 . 0 0 "[ . 1 . 2]" 1
780 1 76 SER HB3 1 77 GLU H 1.800 . 4.720 3.542 2.815 4.142 . 0 0 "[ . 1 . 2]" 1
781 1 76 SER HB2 1 77 GLU H 1.800 . 4.720 3.717 2.671 4.053 . 0 0 "[ . 1 . 2]" 1
782 1 76 SER H 1 76 SER HB3 1.800 . 4.180 2.948 2.308 3.647 . 0 0 "[ . 1 . 2]" 1
783 1 76 SER H 1 76 SER HB2 1.800 . 4.180 2.801 2.305 3.618 . 0 0 "[ . 1 . 2]" 1
784 1 77 GLU HA 1 78 ILE H 1.800 . 3.770 2.279 2.215 2.355 . 0 0 "[ . 1 . 2]" 1
785 1 77 GLU QB 1 78 ILE H 1.800 . 4.430 2.778 2.627 3.063 . 0 0 "[ . 1 . 2]" 1
786 1 77 GLU QG 1 78 ILE H 1.800 . 5.490 3.920 3.840 4.060 . 0 0 "[ . 1 . 2]" 1
787 1 77 GLU H 1 77 GLU QG 1.800 . 4.920 3.244 3.016 3.826 . 0 0 "[ . 1 . 2]" 1
788 1 77 GLU H 1 78 ILE H 1.800 . 5.710 4.390 4.280 4.442 . 0 0 "[ . 1 . 2]" 1
789 1 78 ILE HA 1 79 ARG H 1.800 . 3.500 2.305 2.243 2.355 . 0 0 "[ . 1 . 2]" 1
790 1 78 ILE HB 1 79 ARG H 1.800 . 3.940 2.767 2.643 2.933 . 0 0 "[ . 1 . 2]" 1
791 1 78 ILE QG 1 79 ARG H 1.800 . 5.050 3.867 3.736 4.040 . 0 0 "[ . 1 . 2]" 1
792 1 78 ILE MG 1 79 ARG H 1.800 . 4.330 3.770 3.676 3.847 . 0 0 "[ . 1 . 2]" 1
793 1 78 ILE H 1 78 ILE QG 1.800 . 4.090 2.172 2.026 2.279 . 0 0 "[ . 1 . 2]" 1
794 1 78 ILE H 1 78 ILE MG 1.800 . 4.620 2.990 2.754 3.123 . 0 0 "[ . 1 . 2]" 1
795 1 79 ARG HA 1 80 LEU H 1.800 . 3.790 2.300 2.222 2.366 . 0 0 "[ . 1 . 2]" 1
796 1 79 ARG QB 1 80 LEU H 1.800 . 4.390 3.401 2.612 3.649 . 0 0 "[ . 1 . 2]" 1
797 1 79 ARG QG 1 80 LEU H 1.800 . 5.040 2.490 2.072 3.973 . 0 0 "[ . 1 . 2]" 1
798 1 79 ARG H 1 79 ARG QG 1.800 . 4.750 3.942 2.433 4.205 . 0 0 "[ . 1 . 2]" 1
799 1 80 LEU HA 1 80 LEU MD1 1.800 . 4.200 3.033 2.309 3.868 . 0 0 "[ . 1 . 2]" 1
800 1 80 LEU HA 1 80 LEU MD2 1.800 . 3.550 2.193 2.167 2.282 . 0 0 "[ . 1 . 2]" 1
801 1 80 LEU HA 1 81 ARG H 1.800 . 3.400 2.209 2.166 2.298 . 0 0 "[ . 1 . 2]" 1
802 1 80 LEU QB 1 80 LEU MD2 1.800 . 3.510 2.251 2.222 2.288 . 0 0 "[ . 1 . 2]" 1
803 1 80 LEU QB 1 81 ARG H 1.800 . 4.000 3.479 2.699 4.004 0.004 10 0 "[ . 1 . 2]" 1
804 1 80 LEU MD1 1 81 ARG H 1.800 . 5.400 3.475 1.784 5.397 0.016 18 0 "[ . 1 . 2]" 1
805 1 80 LEU MD2 1 81 ARG H 1.800 . 4.650 3.498 3.214 3.930 . 0 0 "[ . 1 . 2]" 1
806 1 80 LEU HG 1 81 ARG H 1.800 . 5.460 4.934 4.439 5.356 . 0 0 "[ . 1 . 2]" 1
807 1 80 LEU H 1 80 LEU QB 1.800 . 3.740 2.337 2.145 2.568 . 0 0 "[ . 1 . 2]" 1
808 1 80 LEU H 1 80 LEU MD2 1.800 . 4.860 3.555 3.007 3.908 . 0 0 "[ . 1 . 2]" 1
809 1 80 LEU H 1 80 LEU HG 1.800 . 5.310 3.504 1.910 4.712 . 0 0 "[ . 1 . 2]" 1
810 1 81 ARG HA 1 81 ARG QD 1.800 . 4.480 3.648 2.210 4.521 0.041 15 0 "[ . 1 . 2]" 1
811 1 81 ARG HB3 1 82 HIS H 1.800 . 5.130 3.741 1.842 4.647 . 0 0 "[ . 1 . 2]" 1
812 1 81 ARG HB2 1 82 HIS H 1.800 . 5.130 4.068 2.609 4.676 . 0 0 "[ . 1 . 2]" 1
813 1 81 ARG QG 1 82 HIS H 1.800 . 5.440 3.385 1.978 4.525 . 0 0 "[ . 1 . 2]" 1
814 1 81 ARG H 1 81 ARG QB 1.800 . 3.540 2.386 2.185 3.179 . 0 0 "[ . 1 . 2]" 1
815 1 81 ARG H 1 81 ARG QG 1.800 . 5.200 3.454 1.792 4.409 0.008 15 0 "[ . 1 . 2]" 1
816 1 81 ARG H 1 82 HIS H 1.800 . 4.700 3.571 2.599 4.654 . 0 0 "[ . 1 . 2]" 1
817 1 82 HIS HA 1 83 ASP H 1.800 . 3.600 2.989 2.195 3.576 . 0 0 "[ . 1 . 2]" 1
818 1 82 HIS QB 1 83 ASP H 1.800 . 4.040 3.082 1.904 4.056 0.016 19 0 "[ . 1 . 2]" 1
819 1 82 HIS H 1 82 HIS QB 1.800 . 3.410 2.646 2.258 3.302 . 0 0 "[ . 1 . 2]" 1
820 1 83 ASP HA 1 84 GLY H 1.800 . 3.600 2.979 2.192 3.590 . 0 0 "[ . 1 . 2]" 1
821 1 83 ASP QB 1 84 GLY H 1.800 . 3.890 3.230 1.765 3.928 0.038 4 0 "[ . 1 . 2]" 1
822 1 83 ASP H 1 83 ASP QB 1.800 . 3.440 2.695 2.266 3.303 . 0 0 "[ . 1 . 2]" 1
823 1 85 LEU HA 1 85 LEU MD1 1.800 . 4.770 3.204 2.143 4.149 . 0 0 "[ . 1 . 2]" 1
824 1 85 LEU HA 1 85 LEU MD2 1.800 . 3.870 2.746 2.163 4.119 0.249 18 0 "[ . 1 . 2]" 1
825 1 85 LEU HA 1 86 GLU H 1.800 . 3.640 2.764 2.185 3.573 . 0 0 "[ . 1 . 2]" 1
826 1 85 LEU QB 1 86 GLU H 1.800 . 4.080 3.156 1.757 4.011 0.043 19 0 "[ . 1 . 2]" 1
827 1 85 LEU MD2 1 86 GLU H 1.800 . 5.280 4.095 2.305 5.100 . 0 0 "[ . 1 . 2]" 1
828 1 85 LEU H 1 85 LEU QB 1.800 . 3.260 2.721 2.242 3.372 0.112 4 0 "[ . 1 . 2]" 1
829 1 85 LEU H 1 85 LEU MD1 1.800 . 5.170 3.652 1.890 4.852 . 0 0 "[ . 1 . 2]" 1
830 1 85 LEU H 1 85 LEU MD2 1.800 . 4.420 3.129 1.781 4.405 0.019 12 0 "[ . 1 . 2]" 1
831 1 85 LEU H 1 85 LEU HG 1.800 . 4.600 3.219 1.896 4.467 . 0 0 "[ . 1 . 2]" 1
832 1 86 GLU HA 1 87 HIS H 1.800 . 3.600 2.667 2.167 3.576 . 0 0 "[ . 1 . 2]" 1
833 1 86 GLU QB 1 87 HIS HA 1.800 . 5.200 4.567 3.873 5.358 0.158 8 0 "[ . 1 . 2]" 1
834 1 86 GLU QB 1 87 HIS H 1.800 . 4.100 3.153 1.773 4.036 0.027 15 0 "[ . 1 . 2]" 1
835 1 86 GLU QG 1 87 HIS H 1.800 . 5.030 3.465 2.226 4.613 . 0 0 "[ . 1 . 2]" 1
836 1 86 GLU H 1 86 GLU QB 1.800 . 3.430 2.818 2.260 3.336 . 0 0 "[ . 1 . 2]" 1
837 1 86 GLU H 1 86 GLU QG 1.800 . 4.400 3.393 1.808 4.459 0.059 13 0 "[ . 1 . 2]" 1
838 1 87 HIS HA 1 88 HIS H 1.800 . 3.590 2.530 2.197 3.437 . 0 0 "[ . 1 . 2]" 1
839 1 87 HIS QB 1 88 HIS H 1.800 . 3.900 3.480 2.337 4.040 0.140 20 0 "[ . 1 . 2]" 1
840 1 87 HIS H 1 87 HIS QB 1.800 . 3.400 2.730 2.259 3.295 . 0 0 "[ . 1 . 2]" 1
841 1 88 HIS QB 1 89 HIS H 1.800 . 4.300 3.020 1.831 4.053 . 0 0 "[ . 1 . 2]" 1
842 1 89 HIS HA 1 90 HIS H 1.800 . 3.720 2.637 2.189 3.561 . 0 0 "[ . 1 . 2]" 1
843 1 89 HIS QB 1 90 HIS H 1.800 . 4.600 3.091 2.111 4.057 . 0 0 "[ . 1 . 2]" 1
844 1 90 HIS HA 1 91 HIS H 1.800 . 3.580 2.740 2.179 3.565 . 0 0 "[ . 1 . 2]" 1
845 1 91 HIS HA 1 92 HIS H 1.800 . 3.430 2.896 2.231 3.553 0.123 19 0 "[ . 1 . 2]" 1
846 1 91 HIS QB 1 92 HIS H 1.800 . 4.390 3.057 1.855 4.046 . 0 0 "[ . 1 . 2]" 1
847 1 92 HIS H 1 92 HIS QB 1.800 . 3.920 2.672 2.259 3.330 . 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 58
_Distance_constraint_stats_list.Viol_count 181
_Distance_constraint_stats_list.Viol_total 197.655
_Distance_constraint_stats_list.Viol_max 0.268
_Distance_constraint_stats_list.Viol_rms 0.0275
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.0546
_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 8 PRO 0.199 0.083 6 0 "[ . 1 . 2]"
1 9 LEU 0.051 0.051 13 0 "[ . 1 . 2]"
1 10 GLN 0.273 0.074 18 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 MET 0.248 0.083 6 0 "[ . 1 . 2]"
1 13 PHE 0.168 0.051 13 0 "[ . 1 . 2]"
1 14 THR 0.273 0.074 18 0 "[ . 1 . 2]"
1 15 SER 0.014 0.014 20 0 "[ . 1 . 2]"
1 16 ALA 0.363 0.156 14 0 "[ . 1 . 2]"
1 17 ILE 0.117 0.025 3 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.014 0.014 20 0 "[ . 1 . 2]"
1 20 VAL 0.313 0.156 14 0 "[ . 1 . 2]"
1 28 GLU 0.035 0.035 4 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 0.118 0.050 17 0 "[ . 1 . 2]"
1 32 VAL 0.035 0.035 4 0 "[ . 1 . 2]"
1 33 GLY 0.007 0.007 6 0 "[ . 1 . 2]"
1 34 SER 0.110 0.088 18 0 "[ . 1 . 2]"
1 35 TYR 0.139 0.050 17 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.007 0.007 6 0 "[ . 1 . 2]"
1 38 LYS 0.110 0.088 18 0 "[ . 1 . 2]"
1 39 ASN 0.021 0.021 18 0 "[ . 1 . 2]"
1 45 PRO 2.063 0.250 13 0 "[ . 1 . 2]"
1 46 ARG 0.083 0.034 16 0 "[ . 1 . 2]"
1 48 TRP 2.063 0.250 13 0 "[ . 1 . 2]"
1 49 GLY 0.083 0.034 16 0 "[ . 1 . 2]"
1 51 GLY 1.335 0.138 3 0 "[ . 1 . 2]"
1 52 ARG 0.404 0.107 20 0 "[ . 1 . 2]"
1 53 LEU 0.135 0.038 12 0 "[ . 1 . 2]"
1 54 SER 1.335 0.138 3 0 "[ . 1 . 2]"
1 56 MET 0.404 0.107 20 0 "[ . 1 . 2]"
1 57 VAL 0.135 0.038 12 0 "[ . 1 . 2]"
1 64 THR 0.741 0.089 7 0 "[ . 1 . 2]"
1 66 GLN 0.297 0.072 3 0 "[ . 1 . 2]"
1 68 SER 1.493 0.140 17 0 "[ . 1 . 2]"
1 70 ASN 2.024 0.268 18 0 "[ . 1 . 2]"
1 73 LYS 2.024 0.268 18 0 "[ . 1 . 2]"
1 75 HIS 1.493 0.140 17 0 "[ . 1 . 2]"
1 77 GLU 0.297 0.072 3 0 "[ . 1 . 2]"
1 79 ARG 0.741 0.089 7 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 8 PRO O 1 12 MET H 1.700 . 2.300 2.132 1.876 2.383 0.083 6 0 "[ . 1 . 2]" 2
2 1 8 PRO O 1 12 MET N 2.700 2.700 3.300 3.030 2.722 3.300 . 0 0 "[ . 1 . 2]" 2
3 1 9 LEU O 1 13 PHE H 1.700 . 2.300 2.032 1.781 2.351 0.051 13 0 "[ . 1 . 2]" 2
4 1 9 LEU O 1 13 PHE N 2.700 2.700 3.300 3.002 2.761 3.300 . 13 0 "[ . 1 . 2]" 2
5 1 10 GLN O 1 14 THR H 1.700 . 2.300 1.867 1.694 2.148 0.006 18 0 "[ . 1 . 2]" 2
6 1 10 GLN O 1 14 THR N 2.700 2.700 3.300 2.788 2.626 3.060 0.074 18 0 "[ . 1 . 2]" 2
7 1 11 ASP O 1 15 SER H 1.700 . 2.300 1.883 1.801 2.122 . 0 0 "[ . 1 . 2]" 2
8 1 11 ASP O 1 15 SER N 2.700 2.700 3.300 2.814 2.743 2.999 . 0 0 "[ . 1 . 2]" 2
9 1 12 MET O 1 16 ALA H 1.700 . 2.300 2.191 1.977 2.322 0.022 19 0 "[ . 1 . 2]" 2
10 1 12 MET O 1 16 ALA N 2.700 2.700 3.300 3.131 2.895 3.276 . 0 0 "[ . 1 . 2]" 2
11 1 13 PHE O 1 17 ILE H 1.700 . 2.300 1.800 1.719 2.063 . 0 0 "[ . 1 . 2]" 2
12 1 13 PHE O 1 17 ILE N 2.700 2.700 3.300 2.754 2.675 3.019 0.025 3 0 "[ . 1 . 2]" 2
13 1 14 THR O 1 18 GLU H 1.700 . 2.300 1.971 1.784 2.160 . 0 0 "[ . 1 . 2]" 2
14 1 14 THR O 1 18 GLU N 2.700 2.700 3.300 2.910 2.714 3.093 . 0 0 "[ . 1 . 2]" 2
15 1 15 SER O 1 19 ALA H 1.700 . 2.300 2.181 2.006 2.314 0.014 20 0 "[ . 1 . 2]" 2
16 1 15 SER O 1 19 ALA N 2.700 2.700 3.300 3.006 2.895 3.131 . 0 0 "[ . 1 . 2]" 2
17 1 16 ALA O 1 20 VAL H 1.700 . 2.300 2.250 2.085 2.456 0.156 14 0 "[ . 1 . 2]" 2
18 1 16 ALA O 1 20 VAL N 2.700 2.700 3.300 3.158 2.949 3.259 . 0 0 "[ . 1 . 2]" 2
19 1 28 GLU O 1 32 VAL H 1.700 . 2.300 2.184 1.970 2.335 0.035 4 0 "[ . 1 . 2]" 2
20 1 28 GLU O 1 32 VAL N 2.700 2.700 3.300 3.104 2.914 3.240 . 0 0 "[ . 1 . 2]" 2
21 1 29 LEU O 1 33 GLY H 1.700 . 2.300 2.041 1.867 2.252 . 0 0 "[ . 1 . 2]" 2
22 1 29 LEU O 1 33 GLY N 2.700 2.700 3.300 3.010 2.844 3.216 . 0 0 "[ . 1 . 2]" 2
23 1 30 SER O 1 34 SER H 1.700 . 2.300 2.051 1.913 2.197 . 0 0 "[ . 1 . 2]" 2
24 1 30 SER O 1 34 SER N 2.700 2.700 3.300 3.020 2.888 3.171 . 0 0 "[ . 1 . 2]" 2
25 1 31 ALA O 1 35 TYR H 1.700 . 2.300 1.842 1.726 1.976 . 0 0 "[ . 1 . 2]" 2
26 1 31 ALA O 1 35 TYR N 2.700 2.700 3.300 2.779 2.650 2.925 0.050 17 0 "[ . 1 . 2]" 2
27 1 32 VAL O 1 36 LEU H 1.700 . 2.300 1.975 1.881 2.229 . 0 0 "[ . 1 . 2]" 2
28 1 32 VAL O 1 36 LEU N 2.700 2.700 3.300 2.939 2.852 3.176 . 0 0 "[ . 1 . 2]" 2
29 1 33 GLY O 1 37 ALA H 1.700 . 2.300 1.990 1.769 2.192 . 0 0 "[ . 1 . 2]" 2
30 1 33 GLY O 1 37 ALA N 2.700 2.700 3.300 2.923 2.693 3.129 0.007 6 0 "[ . 1 . 2]" 2
31 1 34 SER O 1 38 LYS H 1.700 . 2.300 2.116 1.928 2.388 0.088 18 0 "[ . 1 . 2]" 2
32 1 34 SER O 1 38 LYS N 2.700 2.700 3.300 3.061 2.889 3.317 0.017 18 0 "[ . 1 . 2]" 2
33 1 35 TYR O 1 39 ASN H 1.700 . 2.300 2.115 1.799 2.321 0.021 18 0 "[ . 1 . 2]" 2
34 1 35 TYR O 1 39 ASN N 2.700 2.700 3.300 3.067 2.743 3.261 . 0 0 "[ . 1 . 2]" 2
35 1 45 PRO O 1 48 TRP H 1.700 . 2.300 2.396 2.230 2.550 0.250 13 0 "[ . 1 . 2]" 2
36 1 45 PRO O 1 48 TRP N 2.700 2.700 3.300 3.089 2.880 3.259 . 0 0 "[ . 1 . 2]" 2
37 1 46 ARG O 1 49 GLY H 1.700 . 2.300 2.064 1.722 2.327 0.027 14 0 "[ . 1 . 2]" 2
38 1 46 ARG O 1 49 GLY N 2.700 2.700 3.300 2.937 2.666 3.203 0.034 16 0 "[ . 1 . 2]" 2
39 1 51 GLY O 1 54 SER H 1.700 . 2.300 2.351 2.110 2.438 0.138 3 0 "[ . 1 . 2]" 2
40 1 51 GLY O 1 54 SER N 2.700 2.700 3.300 3.192 2.790 3.348 0.048 3 0 "[ . 1 . 2]" 2
41 1 52 ARG O 1 56 MET H 1.700 . 2.300 2.030 1.655 2.407 0.107 20 0 "[ . 1 . 2]" 2
42 1 52 ARG O 1 56 MET N 2.700 2.700 3.300 2.902 2.606 3.345 0.094 6 0 "[ . 1 . 2]" 2
43 1 53 LEU O 1 57 VAL H 1.700 . 2.300 2.216 1.797 2.338 0.038 12 0 "[ . 1 . 2]" 2
44 1 53 LEU O 1 57 VAL N 2.700 2.700 3.300 3.174 2.770 3.305 0.005 12 0 "[ . 1 . 2]" 2
45 1 64 THR H 1 79 ARG O 1.700 . 2.300 2.023 1.732 2.277 . 0 0 "[ . 1 . 2]" 2
46 1 64 THR N 1 79 ARG O 2.700 2.700 3.300 2.968 2.710 3.225 . 0 0 "[ . 1 . 2]" 2
47 1 66 GLN H 1 77 GLU O 1.700 . 2.300 2.185 1.895 2.355 0.055 17 0 "[ . 1 . 2]" 2
48 1 66 GLN N 1 77 GLU O 2.700 2.700 3.300 3.143 2.842 3.302 0.002 17 0 "[ . 1 . 2]" 2
49 1 68 SER H 1 75 HIS O 1.700 . 2.300 2.241 1.988 2.440 0.140 17 0 "[ . 1 . 2]" 2
50 1 68 SER N 1 75 HIS O 2.700 2.700 3.300 3.149 2.887 3.339 0.039 10 0 "[ . 1 . 2]" 2
51 1 70 ASN O 1 73 LYS H 1.700 . 2.300 2.394 2.274 2.568 0.268 18 0 "[ . 1 . 2]" 2
52 1 70 ASN O 1 73 LYS N 2.700 2.700 3.300 3.181 3.048 3.386 0.086 18 0 "[ . 1 . 2]" 2
53 1 68 SER O 1 75 HIS H 1.700 . 2.300 2.234 1.780 2.403 0.103 7 0 "[ . 1 . 2]" 2
54 1 68 SER O 1 75 HIS N 2.700 2.700 3.300 3.127 2.678 3.343 0.043 10 0 "[ . 1 . 2]" 2
55 1 66 GLN O 1 77 GLU N 2.700 2.700 3.300 2.919 2.628 3.151 0.072 3 0 "[ . 1 . 2]" 2
56 1 66 GLN O 1 77 GLU H 1.700 . 2.300 2.126 1.809 2.358 0.058 2 0 "[ . 1 . 2]" 2
57 1 64 THR O 1 79 ARG N 2.700 2.700 3.300 3.218 3.083 3.313 0.013 7 0 "[ . 1 . 2]" 2
58 1 64 THR O 1 79 ARG H 1.700 . 2.300 2.323 2.152 2.389 0.089 7 0 "[ . 1 . 2]" 2
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