NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
386053 |
1ld5   |
5381 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ld5
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 123
_Distance_constraint_stats_list.Viol_count 22
_Distance_constraint_stats_list.Viol_total 10.869
_Distance_constraint_stats_list.Viol_max 0.109
_Distance_constraint_stats_list.Viol_rms 0.0076
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0494
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ARG 0.000 0.000 . 0 "[ . 1]"
1 2 PRO 0.128 0.065 9 0 "[ . 1]"
1 3 ASP 0.000 0.000 . 0 "[ . 1]"
1 4 PHE 0.187 0.065 9 0 "[ . 1]"
1 5 CYS 0.000 0.000 . 0 "[ . 1]"
1 6 LEU 0.606 0.083 5 0 "[ . 1]"
1 7 GLU 0.000 0.000 . 0 "[ . 1]"
1 8 PRO 0.000 0.000 . 0 "[ . 1]"
1 9 PRO 0.000 0.000 . 0 "[ . 1]"
1 10 TYR 0.000 0.000 . 0 "[ . 1]"
1 11 THR 0.000 0.000 . 0 "[ . 1]"
1 12 GLY 0.000 0.000 . 0 "[ . 1]"
1 13 PRO 0.000 0.000 . 0 "[ . 1]"
1 14 CYS 0.000 0.000 . 0 "[ . 1]"
1 15 ARG 0.243 0.109 7 0 "[ . 1]"
1 16 VAL 0.000 0.000 . 0 "[ . 1]"
1 17 ARG 0.252 0.109 7 0 "[ . 1]"
1 18 ILE 0.009 0.009 7 0 "[ . 1]"
1 19 ILE 0.252 0.109 7 0 "[ . 1]"
1 20 ARG 0.000 0.000 . 0 "[ . 1]"
1 21 TYR 0.000 0.000 . 0 "[ . 1]"
1 22 PHE 0.000 0.000 . 0 "[ . 1]"
1 23 TYR 0.000 0.000 . 0 "[ . 1]"
1 24 ASN 0.000 0.000 . 0 "[ . 1]"
1 26 LYS 0.000 0.000 . 0 "[ . 1]"
1 27 ALA 0.000 0.000 . 0 "[ . 1]"
1 28 GLY 0.000 0.000 . 0 "[ . 1]"
1 29 LEU 0.000 0.000 . 0 "[ . 1]"
1 31 GLN 0.000 0.000 . 0 "[ . 1]"
1 32 THR 0.000 0.000 . 0 "[ . 1]"
1 33 PHE 0.000 0.000 . 0 "[ . 1]"
1 34 VAL 0.252 0.109 7 0 "[ . 1]"
1 35 TYR 0.009 0.009 7 0 "[ . 1]"
1 36 GLY 0.000 0.000 . 0 "[ . 1]"
1 37 GLY 0.000 0.000 . 0 "[ . 1]"
1 39 ARG 0.000 0.000 . 0 "[ . 1]"
1 40 ALA 0.000 0.000 . 0 "[ . 1]"
1 41 LYS 0.000 0.000 . 0 "[ . 1]"
1 42 ARG 0.000 0.000 . 0 "[ . 1]"
1 43 ASN 0.000 0.000 . 0 "[ . 1]"
1 44 ASN 0.000 0.000 . 0 "[ . 1]"
1 45 PHE 0.221 0.065 9 0 "[ . 1]"
1 46 LYS 0.000 0.000 . 0 "[ . 1]"
1 47 SER 0.000 0.000 . 0 "[ . 1]"
1 48 ALA 0.000 0.000 . 0 "[ . 1]"
1 49 GLU 0.000 0.000 . 0 "[ . 1]"
1 50 ASP 0.000 0.000 . 0 "[ . 1]"
1 51 CYS 0.000 0.000 . 0 "[ . 1]"
1 52 LEU 0.606 0.083 5 0 "[ . 1]"
1 53 ARG 0.059 0.059 9 0 "[ . 1]"
1 54 THR 0.187 0.065 9 0 "[ . 1]"
1 55 CYS 0.034 0.017 8 0 "[ . 1]"
1 56 GLY 0.034 0.017 8 0 "[ . 1]"
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 22 PHE HB3 1 22 PHE QD 1.800 . 4.520 2.266 1.880 2.430 . 0 0 "[ . 1]" 1
2 1 4 PHE HB3 1 4 PHE QD 1.800 . 4.800 2.276 2.224 2.308 . 0 0 "[ . 1]" 1
3 1 22 PHE HB3 1 33 PHE QD 1.800 . 5.110 2.236 2.231 2.243 . 0 0 "[ . 1]" 1
4 1 2 PRO HG2 1 4 PHE QE 1.800 . 5.480 1.816 1.738 1.857 0.062 9 0 "[ . 1]" 1
5 1 16 VAL H 1 16 VAL HA 1.800 . 2.800 2.558 2.363 2.622 . 0 0 "[ . 1]" 1
6 1 14 CYS HA 1 15 ARG H 1.800 . 2.830 2.364 2.339 2.384 . 0 0 "[ . 1]" 1
7 1 4 PHE H 1 4 PHE HB3 1.800 . 2.830 2.020 1.936 2.124 . 0 0 "[ . 1]" 1
8 1 4 PHE QD 1 5 CYS QB 1.800 . 5.950 2.361 2.194 2.465 . 0 0 "[ . 1]" 1
9 1 24 ASN HB3 1 31 GLN HE21 1.800 . 2.960 2.594 2.466 2.681 . 0 0 "[ . 1]" 1
10 1 4 PHE HB2 1 4 PHE QD 1.800 . 6.070 2.452 2.339 2.571 . 0 0 "[ . 1]" 1
11 1 22 PHE QE 1 26 LYS QD 1.800 . 7.200 2.146 2.011 2.407 . 0 0 "[ . 1]" 1
12 1 18 ILE H 1 19 ILE MD 1.800 . 4.510 2.822 2.547 3.042 . 0 0 "[ . 1]" 1
13 1 22 PHE QD 1 24 ASN HB2 1.800 . 6.290 3.245 3.211 3.274 . 0 0 "[ . 1]" 1
14 1 9 PRO HB3 1 22 PHE QD 1.800 . 6.540 2.918 2.857 3.003 . 0 0 "[ . 1]" 1
15 1 4 PHE QD 1 42 ARG HB3 1.800 . 6.600 3.264 2.864 3.610 . 0 0 "[ . 1]" 1
16 1 33 PHE HA 1 33 PHE QD 1.800 . 6.600 3.136 3.023 3.262 . 0 0 "[ . 1]" 1
17 1 6 LEU MD2 1 23 TYR QE 1.800 . 6.860 3.200 2.125 3.764 . 0 0 "[ . 1]" 1
18 1 18 ILE MD 1 35 TYR HD2 1.800 . 4.790 2.702 2.429 3.041 . 0 0 "[ . 1]" 1
19 1 21 TYR HA 1 22 PHE QD 1.800 . 6.630 2.843 2.717 3.006 . 0 0 "[ . 1]" 1
20 1 21 TYR QD 1 45 PHE HB2 1.800 . 3.270 2.680 2.606 2.773 . 0 0 "[ . 1]" 1
21 1 18 ILE H 1 18 ILE HG12 1.800 . 3.830 3.391 3.304 3.518 . 0 0 "[ . 1]" 1
22 1 16 VAL H 1 36 GLY HA2 1.800 . 3.300 2.881 2.680 3.134 . 0 0 "[ . 1]" 1
23 1 4 PHE HZ 1 55 CYS QB 1.800 . 8.520 3.092 2.573 3.658 . 0 0 "[ . 1]" 1
24 1 4 PHE HB3 1 4 PHE QE 1.800 . 7.030 2.468 2.332 2.552 . 0 0 "[ . 1]" 1
25 1 4 PHE HZ 1 54 THR HA 1.800 . 7.080 3.442 2.795 3.940 . 0 0 "[ . 1]" 1
26 1 23 TYR QE 1 29 LEU HA 1.800 . 6.580 3.476 3.090 3.748 . 0 0 "[ . 1]" 1
27 1 22 PHE HA 1 22 PHE QD 1.800 . 6.070 3.452 3.300 3.532 . 0 0 "[ . 1]" 1
28 1 18 ILE HG12 1 35 TYR HD2 1.800 . 4.380 2.043 1.791 2.672 0.009 7 0 "[ . 1]" 1
29 1 20 ARG HE 1 46 LYS QB 1.800 . 3.640 3.070 2.965 3.216 . 0 0 "[ . 1]" 1
30 1 17 ARG H 1 18 ILE MD 1.800 . 5.540 4.378 4.209 4.614 . 0 0 "[ . 1]" 1
31 1 24 ASN HD21 1 27 ALA MB 1.800 . 5.690 3.641 3.478 3.793 . 0 0 "[ . 1]" 1
32 1 9 PRO HB2 1 22 PHE QD 1.800 . 7.620 2.911 2.547 3.242 . 0 0 "[ . 1]" 1
33 1 33 PHE HA 1 33 PHE QE 1.800 . 7.250 3.693 3.267 4.224 . 0 0 "[ . 1]" 1
34 1 1 ARG HE 1 6 LEU MD2 1.800 . 7.620 3.244 2.122 3.679 . 0 0 "[ . 1]" 1
35 1 22 PHE QD 1 24 ASN HA 1.800 . 7.620 3.143 3.020 3.255 . 0 0 "[ . 1]" 1
36 1 4 PHE QD 1 42 ARG QG 1.800 . 7.620 2.367 2.085 2.882 . 0 0 "[ . 1]" 1
37 1 4 PHE HA 1 5 CYS H 1.800 . 4.070 2.720 2.683 2.737 . 0 0 "[ . 1]" 1
38 1 20 ARG HB2 1 21 TYR QD 1.800 . 7.640 3.286 2.878 3.552 . 0 0 "[ . 1]" 1
39 1 5 CYS H 1 6 LEU MD2 1.800 . 6.530 4.482 4.186 4.711 . 0 0 "[ . 1]" 1
40 1 1 ARG HE 1 1 ARG QG 1.800 . 5.500 2.463 2.143 2.814 . 0 0 "[ . 1]" 1
41 1 2 PRO HG2 1 4 PHE QD 1.800 . 7.620 3.580 3.447 3.695 . 0 0 "[ . 1]" 1
42 1 24 ASN HD21 1 26 LYS QD 1.800 . 6.380 3.519 2.996 3.877 . 0 0 "[ . 1]" 1
43 1 2 PRO HA 1 5 CYS H 1.800 . 5.250 3.709 3.638 3.757 . 0 0 "[ . 1]" 1
44 1 17 ARG HE 1 19 ILE MD 1.800 . 6.530 3.898 2.584 5.010 . 0 0 "[ . 1]" 1
45 1 4 PHE QD 1 4 PHE QE 1.800 . 7.910 2.185 2.182 2.189 . 0 0 "[ . 1]" 1
46 1 22 PHE QD 1 24 ASN H 1.800 . 6.010 3.481 2.489 3.948 . 0 0 "[ . 1]" 1
47 1 10 TYR QD 1 41 LYS H 1.800 . 6.710 4.167 3.245 5.263 . 0 0 "[ . 1]" 1
48 1 4 PHE H 1 4 PHE QE 1.800 . 7.620 4.195 4.104 4.330 . 0 0 "[ . 1]" 1
49 1 22 PHE QE 1 24 ASN HD21 1.800 . 7.620 2.703 2.035 3.262 . 0 0 "[ . 1]" 1
50 1 10 TYR QE 1 11 THR H 1.800 . 7.630 4.038 3.650 4.299 . 0 0 "[ . 1]" 1
51 1 5 CYS H 1 43 ASN HD21 1.800 . 5.500 2.900 2.358 4.168 . 0 0 "[ . 1]" 1
52 1 22 PHE QD 1 45 PHE H 1.800 . 7.620 3.934 3.674 4.126 . 0 0 "[ . 1]" 1
53 1 5 CYS QB 1 55 CYS QB 1.800 . 2.830 2.323 1.812 2.512 . 0 0 "[ . 1]" 1
54 1 19 ILE MD 1 34 VAL HA 1.800 . 3.430 2.268 2.132 2.389 . 0 0 "[ . 1]" 1
55 1 15 ARG QG 1 34 VAL MG1 1.800 . 4.420 1.901 1.691 2.070 0.109 7 0 "[ . 1]" 1
56 1 2 PRO HA 1 6 LEU MD1 1.800 . 2.400 2.000 1.831 2.094 . 0 0 "[ . 1]" 1
57 1 7 GLU QG 1 41 LYS QE 1.800 . 6.940 2.707 2.315 3.340 . 0 0 "[ . 1]" 1
58 1 49 GLU HA 1 52 LEU QB 1.800 . 3.270 2.786 2.567 2.962 . 0 0 "[ . 1]" 1
59 1 17 ARG QG 1 19 ILE MD 1.800 . 4.140 2.383 1.791 3.024 0.009 7 0 "[ . 1]" 1
60 1 18 ILE HG12 1 35 TYR HB3 1.800 . 5.500 2.924 2.738 3.237 . 0 0 "[ . 1]" 1
61 1 40 ALA HA 1 41 LYS H 1.800 . 2.400 2.009 1.928 2.084 . 0 0 "[ . 1]" 1
62 1 2 PRO HG2 1 4 PHE QE 1.800 . 5.200 1.813 1.735 1.852 0.065 9 0 "[ . 1]" 1
63 1 3 ASP H 1 3 ASP QB 1.800 . 4.210 2.383 2.049 2.595 . 0 0 "[ . 1]" 1
64 1 15 ARG H 1 15 ARG QB 1.800 . 2.990 2.314 2.051 2.446 . 0 0 "[ . 1]" 1
65 1 10 TYR QE 1 12 GLY HA3 1.800 . 6.180 3.441 2.992 4.252 . 0 0 "[ . 1]" 1
66 1 18 ILE HG12 1 19 ILE H 1.800 . 3.610 2.695 2.047 3.092 . 0 0 "[ . 1]" 1
67 1 4 PHE QE 1 54 THR HB 1.800 . 3.210 2.421 2.324 2.515 . 0 0 "[ . 1]" 1
68 1 22 PHE QD 1 33 PHE HB3 1.800 . 6.570 3.674 3.448 3.929 . 0 0 "[ . 1]" 1
69 1 1 ARG QB 1 4 PHE QE 1.800 . 2.930 2.747 2.696 2.824 . 0 0 "[ . 1]" 1
70 1 24 ASN H 1 24 ASN HB3 1.800 . 3.270 2.430 2.383 2.466 . 0 0 "[ . 1]" 1
71 1 4 PHE QE 1 54 THR HA 1.800 . 3.390 2.388 2.192 2.526 . 0 0 "[ . 1]" 1
72 1 23 TYR HA 1 23 TYR QD 1.800 . 6.930 2.578 2.437 2.732 . 0 0 "[ . 1]" 1
73 1 45 PHE HB2 1 51 CYS H 1.800 . 3.520 2.585 2.469 2.658 . 0 0 "[ . 1]" 1
74 1 10 TYR QE 1 11 THR MG 1.800 . 8.350 3.944 3.377 4.301 . 0 0 "[ . 1]" 1
75 1 5 CYS QB 1 23 TYR QD 1.800 . 7.360 2.381 1.991 2.538 . 0 0 "[ . 1]" 1
76 1 33 PHE QE 1 35 TYR HB2 1.800 . 7.620 2.499 2.121 2.844 . 0 0 "[ . 1]" 1
77 1 52 LEU QB 1 53 ARG H 1.800 . 3.790 2.727 2.645 2.815 . 0 0 "[ . 1]" 1
78 1 45 PHE HB2 1 46 LYS H 1.800 . 3.830 2.861 2.574 3.114 . 0 0 "[ . 1]" 1
79 1 4 PHE HB2 1 43 ASN H 1.800 . 3.950 2.831 2.708 2.904 . 0 0 "[ . 1]" 1
80 1 8 PRO QG 1 10 TYR QD 1.800 . 8.520 3.302 2.575 4.374 . 0 0 "[ . 1]" 1
81 1 4 PHE QD 1 5 CYS QB 1.800 . 7.620 3.401 2.983 3.812 . 0 0 "[ . 1]" 1
82 1 22 PHE HZ 1 24 ASN HB2 1.800 . 5.500 2.855 2.807 2.886 . 0 0 "[ . 1]" 1
83 1 24 ASN H 1 24 ASN HA 1.800 . 4.290 2.578 2.440 2.690 . 0 0 "[ . 1]" 1
84 1 2 PRO HA 1 4 PHE H 1.800 . 4.570 3.431 3.344 3.476 . 0 0 "[ . 1]" 1
85 1 27 ALA MB 1 31 GLN HE21 1.800 . 5.500 2.185 1.898 2.844 . 0 0 "[ . 1]" 1
86 1 9 PRO HG3 1 22 PHE QD 1.800 . 7.620 3.561 3.438 3.617 . 0 0 "[ . 1]" 1
87 1 18 ILE HG12 1 35 TYR HE2 1.800 . 5.500 3.451 2.897 4.008 . 0 0 "[ . 1]" 1
88 1 45 PHE QE 1 55 CYS H 1.800 . 2.550 2.390 2.119 2.567 0.017 8 0 "[ . 1]" 1
89 1 4 PHE QE 1 45 PHE HZ 1.800 . 6.010 2.602 2.231 2.974 . 0 0 "[ . 1]" 1
90 1 4 PHE QE 1 45 PHE HZ 1.800 . 6.260 2.659 2.247 3.107 . 0 0 "[ . 1]" 1
91 1 4 PHE QE 1 55 CYS H 1.800 . 3.140 2.525 2.372 2.666 . 0 0 "[ . 1]" 1
92 1 22 PHE H 1 22 PHE QD 1.800 . 6.410 2.427 2.327 2.648 . 0 0 "[ . 1]" 1
93 1 4 PHE QE 1 45 PHE QE 1.800 . 3.210 2.138 2.116 2.153 . 0 0 "[ . 1]" 1
94 1 22 PHE QD 1 23 TYR H 1.800 . 7.620 2.849 2.633 3.052 . 0 0 "[ . 1]" 1
95 1 22 PHE QE 1 24 ASN H 1.800 . 7.620 2.643 2.028 3.138 . 0 0 "[ . 1]" 1
96 1 21 TYR H 1 22 PHE QD 1.800 . 7.620 3.081 2.788 3.680 . 0 0 "[ . 1]" 1
97 1 3 ASP HA 1 6 LEU QB 1.800 . 3.310 2.953 2.938 2.965 . 0 0 "[ . 1]" 1
98 1 22 PHE HB3 1 22 PHE QD 1.800 . 4.800 2.255 1.878 2.414 . 0 0 "[ . 1]" 1
99 1 10 TYR QE 1 12 GLY HA3 1.800 . 4.870 3.452 2.995 4.291 . 0 0 "[ . 1]" 1
100 1 4 PHE QE 1 54 THR MG 1.800 . 2.430 1.823 1.741 1.864 0.059 9 0 "[ . 1]" 1
101 1 52 LEU QB 1 52 LEU MD2 1.800 . 3.490 1.937 1.827 1.994 . 0 0 "[ . 1]" 1
102 1 2 PRO HD3 1 55 CYS HA 1.800 . 2.550 2.231 1.971 2.534 . 0 0 "[ . 1]" 1
103 1 6 LEU MD2 1 6 LEU HG 1.800 . 3.680 1.739 1.717 1.754 0.083 5 0 "[ . 1]" 1
104 1 52 LEU HA 1 52 LEU QB 1.800 . 2.550 2.299 2.251 2.326 . 0 0 "[ . 1]" 1
105 1 9 PRO HB2 1 9 PRO HD2 1.800 . 2.740 2.672 2.649 2.693 . 0 0 "[ . 1]" 1
106 1 2 PRO HB2 1 2 PRO HG2 1.800 . 3.140 2.286 2.242 2.301 . 0 0 "[ . 1]" 1
107 1 5 CYS QB 1 55 CYS QB 1.800 . 6.260 2.320 1.808 2.510 . 0 0 "[ . 1]" 1
108 1 19 ILE HA 1 20 ARG HD2 1.800 . 3.420 2.919 2.288 3.370 . 0 0 "[ . 1]" 1
109 1 4 PHE HB3 1 4 PHE QE 1.800 . 3.140 2.461 2.327 2.543 . 0 0 "[ . 1]" 1
110 1 4 PHE HZ 1 55 CYS QB 1.800 . 8.240 3.254 2.576 4.035 . 0 0 "[ . 1]" 1
111 1 13 PRO HA 1 14 CYS HB2 1.800 . 3.300 2.971 2.959 2.985 . 0 0 "[ . 1]" 1
112 1 9 PRO HB3 1 22 PHE HB3 1.800 . 4.140 2.704 2.486 2.987 . 0 0 "[ . 1]" 1
113 1 4 PHE QE 1 43 ASN HA 1.800 . 7.190 3.918 3.416 4.144 . 0 0 "[ . 1]" 1
114 1 9 PRO HB2 1 22 PHE QE 1.800 . 7.280 3.312 3.053 3.641 . 0 0 "[ . 1]" 1
115 1 2 PRO HD2 1 55 CYS HA 1.800 . 3.860 2.894 2.153 3.585 . 0 0 "[ . 1]" 1
116 1 2 PRO HA 1 4 PHE QE 1.800 . 3.950 3.752 3.712 3.781 . 0 0 "[ . 1]" 1
117 1 17 ARG HD3 1 19 ILE MD 1.800 . 6.530 3.727 2.700 4.797 . 0 0 "[ . 1]" 1
118 1 22 PHE QD 1 32 THR HA 1.800 . 7.620 3.204 3.028 3.463 . 0 0 "[ . 1]" 1
119 1 11 THR HB 1 35 TYR HA 1.800 . 4.420 3.749 3.620 3.883 . 0 0 "[ . 1]" 1
120 1 22 PHE QD 1 24 ASN HB2 1.800 . 7.620 3.947 3.867 4.059 . 0 0 "[ . 1]" 1
121 1 17 ARG QB 1 19 ILE MD 1.800 . 6.530 3.126 2.781 3.408 . 0 0 "[ . 1]" 1
122 1 23 TYR HA 1 29 LEU H 1.800 . 5.310 3.716 3.670 3.798 . 0 0 "[ . 1]" 1
123 1 9 PRO HB2 1 22 PHE QD 1.800 . 7.620 3.496 3.414 3.663 . 0 0 "[ . 1]" 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 660
_Distance_constraint_stats_list.Viol_count 597
_Distance_constraint_stats_list.Viol_total 367.994
_Distance_constraint_stats_list.Viol_max 0.311
_Distance_constraint_stats_list.Viol_rms 0.0252
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0616
_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 1 ARG 0.000 0.000 . 0 "[ . 1]"
1 2 PRO 0.573 0.100 5 0 "[ . 1]"
1 3 ASP 0.000 0.000 . 0 "[ . 1]"
1 4 PHE 1.933 0.130 10 0 "[ . 1]"
1 5 CYS 0.161 0.037 9 0 "[ . 1]"
1 6 LEU 0.000 0.000 . 0 "[ . 1]"
1 7 GLU 0.000 0.000 . 0 "[ . 1]"
1 8 PRO 0.000 0.000 . 0 "[ . 1]"
1 9 PRO 0.078 0.038 5 0 "[ . 1]"
1 10 TYR 0.389 0.143 2 0 "[ . 1]"
1 11 THR 1.375 0.146 3 0 "[ . 1]"
1 12 GLY 2.624 0.287 10 0 "[ . 1]"
1 13 PRO 0.000 0.000 . 0 "[ . 1]"
1 14 CYS 1.602 0.118 5 0 "[ . 1]"
1 15 ARG 0.950 0.118 5 0 "[ . 1]"
1 16 VAL 0.339 0.079 7 0 "[ . 1]"
1 17 ARG 0.275 0.079 7 0 "[ . 1]"
1 18 ILE 0.879 0.108 1 0 "[ . 1]"
1 19 ILE 1.454 0.086 6 0 "[ . 1]"
1 20 ARG 1.139 0.086 6 0 "[ . 1]"
1 21 TYR 0.959 0.132 5 0 "[ . 1]"
1 22 PHE 2.004 0.137 5 0 "[ . 1]"
1 23 TYR 1.172 0.137 5 0 "[ . 1]"
1 24 ASN 1.281 0.103 8 0 "[ . 1]"
1 25 ALA 0.217 0.037 3 0 "[ . 1]"
1 26 LYS 0.590 0.072 4 0 "[ . 1]"
1 27 ALA 0.000 0.000 . 0 "[ . 1]"
1 28 GLY 6.568 0.311 1 0 "[ . 1]"
1 29 LEU 3.112 0.260 2 0 "[ . 1]"
1 30 CYS 1.005 0.136 9 0 "[ . 1]"
1 31 GLN 0.479 0.067 8 0 "[ . 1]"
1 32 THR 0.442 0.067 8 0 "[ . 1]"
1 33 PHE 1.008 0.079 6 0 "[ . 1]"
1 34 VAL 1.475 0.099 9 0 "[ . 1]"
1 35 TYR 6.744 0.202 7 0 "[ . 1]"
1 36 GLY 0.002 0.002 8 0 "[ . 1]"
1 37 GLY 3.909 0.202 7 0 "[ . 1]"
1 38 CYS 1.966 0.203 2 0 "[ . 1]"
1 39 ARG 0.910 0.210 2 0 "[ . 1]"
1 40 ALA 1.060 0.077 2 0 "[ . 1]"
1 41 LYS 0.438 0.143 2 0 "[ . 1]"
1 42 ARG 0.055 0.024 3 0 "[ . 1]"
1 43 ASN 0.971 0.137 9 0 "[ . 1]"
1 44 ASN 1.258 0.137 9 0 "[ . 1]"
1 45 PHE 0.860 0.070 7 0 "[ . 1]"
1 46 LYS 0.000 0.000 . 0 "[ . 1]"
1 47 SER 1.208 0.070 7 0 "[ . 1]"
1 48 ALA 0.236 0.053 3 0 "[ . 1]"
1 49 GLU 0.642 0.067 9 0 "[ . 1]"
1 50 ASP 0.019 0.007 10 0 "[ . 1]"
1 51 CYS 2.037 0.212 8 0 "[ . 1]"
1 52 LEU 1.718 0.212 8 0 "[ . 1]"
1 53 ARG 0.130 0.045 4 0 "[ . 1]"
1 54 THR 0.792 0.095 1 0 "[ . 1]"
1 55 CYS 0.413 0.057 9 0 "[ . 1]"
1 56 GLY 0.167 0.045 4 0 "[ . 1]"
1 57 GLY 0.037 0.037 8 0 "[ . 1]"
1 58 ALA 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ARG HA 1 2 PRO HD2 1.800 . 2.830 2.439 2.350 2.614 . 0 0 "[ . 1]" 2
2 1 1 ARG HA 1 2 PRO HD3 1.800 . 2.860 2.199 2.004 2.332 . 0 0 "[ . 1]" 2
3 1 1 ARG QB 1 1 ARG HE 1.800 . 5.190 3.481 2.537 4.190 . 0 0 "[ . 1]" 2
4 1 1 ARG QB 1 2 PRO HD2 1.800 . 5.500 3.883 2.582 4.537 . 0 0 "[ . 1]" 2
5 1 1 ARG QB 1 1 ARG QD 1.800 . 4.940 2.080 1.955 2.376 . 0 0 "[ . 1]" 2
6 1 1 ARG QD 1 1 ARG QG 1.800 . 4.070 2.046 2.004 2.073 . 0 0 "[ . 1]" 2
7 1 1 ARG QD 1 23 TYR QE 1.800 . 6.610 3.752 2.309 5.055 . 0 0 "[ . 1]" 2
8 1 1 ARG QD 1 6 LEU MD2 1.800 . 6.530 3.316 1.956 4.045 . 0 0 "[ . 1]" 2
9 1 1 ARG HE 1 6 LEU MD2 1.800 . 6.530 4.032 2.135 5.221 . 0 0 "[ . 1]" 2
10 1 2 PRO HA 1 2 PRO HB3 1.800 . 2.800 2.282 2.272 2.298 . 0 0 "[ . 1]" 2
11 1 2 PRO HA 1 3 ASP H 1.800 . 2.400 2.240 2.156 2.293 . 0 0 "[ . 1]" 2
12 1 2 PRO HB2 1 2 PRO HD2 1.800 . 3.830 3.031 3.010 3.061 . 0 0 "[ . 1]" 2
13 1 2 PRO HB2 1 3 ASP H 1.800 . 4.230 3.513 3.312 3.815 . 0 0 "[ . 1]" 2
14 1 2 PRO HB2 1 4 PHE H 1.800 . 3.520 3.382 3.175 3.516 . 0 0 "[ . 1]" 2
15 1 2 PRO HB2 1 4 PHE QD 1.800 . 7.620 3.233 3.040 3.403 . 0 0 "[ . 1]" 2
16 1 2 PRO HB2 1 4 PHE QE 1.800 . 7.620 2.928 2.804 3.019 . 0 0 "[ . 1]" 2
17 1 2 PRO HB2 1 5 CYS H 1.800 . 4.420 2.681 2.529 2.792 . 0 0 "[ . 1]" 2
18 1 2 PRO HB3 1 3 ASP H 1.800 . 3.730 3.199 3.096 3.520 . 0 0 "[ . 1]" 2
19 1 2 PRO HB3 1 4 PHE H 1.800 . 4.820 3.919 3.681 4.180 . 0 0 "[ . 1]" 2
20 1 2 PRO HB3 1 4 PHE QD 1.800 . 7.620 3.295 2.811 3.658 . 0 0 "[ . 1]" 2
21 1 2 PRO HB3 1 4 PHE QE 1.800 . 7.060 2.530 2.272 2.857 . 0 0 "[ . 1]" 2
22 1 2 PRO HB3 1 4 PHE HZ 1.800 . 5.500 3.862 3.642 4.040 . 0 0 "[ . 1]" 2
23 1 2 PRO HD2 1 2 PRO HG2 1.800 . 3.050 2.308 2.297 2.319 . 0 0 "[ . 1]" 2
24 1 2 PRO HG2 1 4 PHE HZ 1.800 . 2.520 2.577 2.546 2.620 0.100 5 0 "[ . 1]" 2
25 1 2 PRO HG3 1 4 PHE QE 1.800 . 7.620 3.666 3.295 3.969 . 0 0 "[ . 1]" 2
26 1 2 PRO HG3 1 4 PHE HZ 1.800 . 5.500 3.915 3.824 4.019 . 0 0 "[ . 1]" 2
27 1 2 PRO HD2 1 55 CYS HA 1.800 . 5.440 2.951 2.157 3.776 . 0 0 "[ . 1]" 2
28 1 3 ASP H 1 4 PHE H 1.800 . 3.420 2.937 2.819 3.061 . 0 0 "[ . 1]" 2
29 1 3 ASP H 1 4 PHE QD 1.800 . 7.620 4.246 4.149 4.420 . 0 0 "[ . 1]" 2
30 1 3 ASP H 1 5 CYS H 1.800 . 5.500 4.127 4.044 4.251 . 0 0 "[ . 1]" 2
31 1 3 ASP HA 1 5 CYS H 1.800 . 4.320 3.946 3.817 4.037 . 0 0 "[ . 1]" 2
32 1 3 ASP HA 1 6 LEU HG 1.800 . 4.350 3.538 3.150 3.904 . 0 0 "[ . 1]" 2
33 1 3 ASP QB 1 4 PHE H 1.800 . 4.180 2.721 2.276 3.331 . 0 0 "[ . 1]" 2
34 1 3 ASP QB 1 4 PHE HA 1.800 . 6.380 3.885 3.614 4.171 . 0 0 "[ . 1]" 2
35 1 3 ASP QB 1 6 LEU MD1 1.800 . 7.400 3.660 2.937 4.346 . 0 0 "[ . 1]" 2
36 1 4 PHE H 1 4 PHE HB2 1.800 . 3.420 3.538 3.530 3.550 0.130 10 0 "[ . 1]" 2
37 1 4 PHE H 1 4 PHE HB3 1.800 . 3.080 2.377 2.331 2.413 . 0 0 "[ . 1]" 2
38 1 4 PHE H 1 4 PHE QD 1.800 . 5.140 2.565 2.410 2.834 . 0 0 "[ . 1]" 2
39 1 4 PHE H 1 5 CYS H 1.800 . 2.830 2.808 2.741 2.848 0.018 9 0 "[ . 1]" 2
40 1 4 PHE HA 1 4 PHE HB2 1.800 . 2.550 2.398 2.378 2.421 . 0 0 "[ . 1]" 2
41 1 4 PHE HA 1 4 PHE HB3 1.800 . 2.620 2.481 2.458 2.510 . 0 0 "[ . 1]" 2
42 1 4 PHE HA 1 4 PHE QD 1.800 . 7.090 3.691 3.657 3.712 . 0 0 "[ . 1]" 2
43 1 4 PHE HA 1 5 CYS H 1.800 . 4.630 3.488 3.477 3.498 . 0 0 "[ . 1]" 2
44 1 4 PHE HA 1 6 LEU H 1.800 . 4.070 3.574 3.486 3.718 . 0 0 "[ . 1]" 2
45 1 4 PHE HA 1 7 GLU H 1.800 . 4.290 4.043 3.716 4.188 . 0 0 "[ . 1]" 2
46 1 4 PHE HA 1 7 GLU QG 1.800 . 5.290 4.116 2.766 4.722 . 0 0 "[ . 1]" 2
47 1 4 PHE HB2 1 7 GLU QB 1.800 . 6.190 3.600 3.292 4.529 . 0 0 "[ . 1]" 2
48 1 4 PHE HB2 1 42 ARG HB2 1.800 . 4.200 2.954 2.377 3.651 . 0 0 "[ . 1]" 2
49 1 4 PHE HB2 1 42 ARG HB3 1.800 . 4.760 3.166 2.346 4.327 . 0 0 "[ . 1]" 2
50 1 4 PHE HB3 1 42 ARG HB2 1.800 . 5.500 4.338 3.718 4.954 . 0 0 "[ . 1]" 2
51 1 4 PHE QD 1 5 CYS HA 1.800 . 7.190 2.796 2.550 2.948 . 0 0 "[ . 1]" 2
52 1 4 PHE QD 1 42 ARG HB2 1.800 . 7.620 3.973 3.620 4.355 . 0 0 "[ . 1]" 2
53 1 4 PHE QD 1 42 ARG HB3 1.800 . 7.620 3.697 2.893 4.194 . 0 0 "[ . 1]" 2
54 1 4 PHE QD 1 42 ARG QG 1.800 . 7.620 4.949 3.798 5.515 . 0 0 "[ . 1]" 2
55 1 4 PHE QD 1 43 ASN HA 1.800 . 7.620 3.802 3.126 4.621 . 0 0 "[ . 1]" 2
56 1 4 PHE QD 1 45 PHE HZ 1.800 . 7.620 4.287 3.699 4.920 . 0 0 "[ . 1]" 2
57 1 4 PHE QD 1 54 THR MG 1.800 . 8.650 3.749 3.567 3.922 . 0 0 "[ . 1]" 2
58 1 4 PHE QE 1 42 ARG HB3 1.800 . 7.470 4.793 3.931 5.482 . 0 0 "[ . 1]" 2
59 1 4 PHE QE 1 43 ASN HA 1.800 . 7.620 4.303 3.474 4.842 . 0 0 "[ . 1]" 2
60 1 4 PHE HZ 1 45 PHE HZ 1.800 . 5.250 4.500 4.115 5.095 . 0 0 "[ . 1]" 2
61 1 4 PHE HZ 1 54 THR HA 1.800 . 4.140 4.037 3.443 4.175 0.035 4 0 "[ . 1]" 2
62 1 4 PHE HZ 1 54 THR HB 1.800 . 5.500 4.451 3.904 4.668 . 0 0 "[ . 1]" 2
63 1 4 PHE HZ 1 54 THR MG 1.800 . 3.520 1.876 1.796 1.951 0.004 1 0 "[ . 1]" 2
64 1 5 CYS H 1 5 CYS QB 1.800 . 2.740 2.270 2.122 2.389 . 0 0 "[ . 1]" 2
65 1 5 CYS HA 1 6 LEU H 1.800 . 3.580 3.445 3.417 3.463 . 0 0 "[ . 1]" 2
66 1 5 CYS HA 1 7 GLU H 1.800 . 3.580 3.440 3.388 3.499 . 0 0 "[ . 1]" 2
67 1 5 CYS HA 1 23 TYR HB3 1.800 . 3.670 3.558 3.221 3.707 0.037 9 0 "[ . 1]" 2
68 1 5 CYS QB 1 55 CYS QB 1.800 . 4.230 2.900 1.855 3.379 . 0 0 "[ . 1]" 2
69 1 5 CYS QB 1 23 TYR QD 1.800 . 7.610 3.498 2.096 4.329 . 0 0 "[ . 1]" 2
70 1 6 LEU H 1 6 LEU HA 1.800 . 3.050 2.906 2.875 2.920 . 0 0 "[ . 1]" 2
71 1 6 LEU H 1 6 LEU QB 1.800 . 3.620 2.602 2.455 2.678 . 0 0 "[ . 1]" 2
72 1 6 LEU H 1 6 LEU HG 1.800 . 2.490 2.183 2.025 2.347 . 0 0 "[ . 1]" 2
73 1 6 LEU H 1 6 LEU MD1 1.800 . 5.850 3.260 2.950 3.628 . 0 0 "[ . 1]" 2
74 1 6 LEU H 1 6 LEU MD2 1.800 . 6.530 3.582 3.299 3.830 . 0 0 "[ . 1]" 2
75 1 6 LEU HA 1 6 LEU MD1 1.800 . 6.530 3.973 3.906 4.015 . 0 0 "[ . 1]" 2
76 1 6 LEU HA 1 6 LEU MD2 1.800 . 4.140 2.475 1.989 2.697 . 0 0 "[ . 1]" 2
77 1 6 LEU HA 1 7 GLU H 1.800 . 3.210 3.029 2.893 3.187 . 0 0 "[ . 1]" 2
78 1 6 LEU HA 1 23 TYR QE 1.800 . 7.630 4.454 4.152 5.082 . 0 0 "[ . 1]" 2
79 1 6 LEU QB 1 6 LEU MD1 1.800 . 4.950 2.012 1.916 2.098 . 0 0 "[ . 1]" 2
80 1 6 LEU QB 1 7 GLU H 1.800 . 4.610 3.728 3.552 3.819 . 0 0 "[ . 1]" 2
81 1 6 LEU MD2 1 25 ALA HA 1.800 . 6.530 4.728 3.694 5.438 . 0 0 "[ . 1]" 2
82 1 6 LEU MD2 1 25 ALA MB 1.800 . 6.010 3.155 2.022 3.885 . 0 0 "[ . 1]" 2
83 1 7 GLU H 1 7 GLU QG 1.800 . 6.380 3.718 2.352 4.082 . 0 0 "[ . 1]" 2
84 1 7 GLU H 1 43 ASN HD21 1.800 . 5.500 2.941 2.371 4.325 . 0 0 "[ . 1]" 2
85 1 7 GLU HA 1 8 PRO QD 1.800 . 2.800 1.966 1.894 2.110 . 0 0 "[ . 1]" 2
86 1 7 GLU QB 1 7 GLU QG 1.800 . 6.510 2.043 2.020 2.071 . 0 0 "[ . 1]" 2
87 1 7 GLU QB 1 8 PRO QD 1.800 . 5.570 3.308 2.021 3.681 . 0 0 "[ . 1]" 2
88 1 7 GLU QB 1 43 ASN HB2 1.800 . 6.380 2.501 1.941 4.369 . 0 0 "[ . 1]" 2
89 1 8 PRO HA 1 8 PRO HB3 1.800 . 3.110 2.293 2.276 2.309 . 0 0 "[ . 1]" 2
90 1 8 PRO HA 1 9 PRO HD2 1.800 . 3.860 2.515 2.262 2.783 . 0 0 "[ . 1]" 2
91 1 8 PRO HA 1 9 PRO HD3 1.800 . 3.360 2.371 2.216 2.474 . 0 0 "[ . 1]" 2
92 1 8 PRO HB2 1 9 PRO HD2 1.800 . 5.160 2.648 1.881 3.352 . 0 0 "[ . 1]" 2
93 1 8 PRO HB3 1 9 PRO HD2 1.800 . 4.230 2.611 1.907 3.165 . 0 0 "[ . 1]" 2
94 1 8 PRO HB3 1 9 PRO HD3 1.800 . 5.500 3.713 3.143 4.315 . 0 0 "[ . 1]" 2
95 1 8 PRO QD 1 8 PRO QG 1.800 . 4.390 1.965 1.959 1.969 . 0 0 "[ . 1]" 2
96 1 9 PRO HA 1 9 PRO HB2 1.800 . 2.710 2.704 2.685 2.726 0.016 3 0 "[ . 1]" 2
97 1 9 PRO HA 1 9 PRO HB3 1.800 . 2.860 2.302 2.286 2.326 . 0 0 "[ . 1]" 2
98 1 9 PRO HA 1 10 TYR H 1.800 . 2.400 2.251 2.151 2.415 0.015 2 0 "[ . 1]" 2
99 1 9 PRO HA 1 33 PHE QE 1.800 . 7.620 3.765 3.423 4.188 . 0 0 "[ . 1]" 2
100 1 9 PRO HB2 1 10 TYR H 1.800 . 4.170 3.159 2.552 3.608 . 0 0 "[ . 1]" 2
101 1 9 PRO HB2 1 22 PHE HB2 1.800 . 5.500 5.121 4.771 5.538 0.038 5 0 "[ . 1]" 2
102 1 9 PRO HB2 1 22 PHE HB3 1.800 . 4.760 4.280 4.031 4.626 . 0 0 "[ . 1]" 2
103 1 9 PRO HB2 1 33 PHE HB3 1.800 . 5.500 3.986 3.291 4.480 . 0 0 "[ . 1]" 2
104 1 9 PRO HB2 1 33 PHE QD 1.800 . 7.190 2.844 2.573 3.333 . 0 0 "[ . 1]" 2
105 1 9 PRO HB2 1 33 PHE QE 1.800 . 7.620 2.967 2.555 3.344 . 0 0 "[ . 1]" 2
106 1 9 PRO HB3 1 22 PHE HB2 1.800 . 5.500 3.424 3.129 3.774 . 0 0 "[ . 1]" 2
107 1 9 PRO HB3 1 22 PHE HB3 1.800 . 4.450 2.718 2.491 3.005 . 0 0 "[ . 1]" 2
108 1 9 PRO HB3 1 33 PHE QD 1.800 . 7.620 3.693 3.267 4.193 . 0 0 "[ . 1]" 2
109 1 9 PRO HB3 1 33 PHE QE 1.800 . 7.620 3.463 2.962 3.846 . 0 0 "[ . 1]" 2
110 1 9 PRO HD2 1 9 PRO HG3 1.800 . 3.080 2.711 2.684 2.736 . 0 0 "[ . 1]" 2
111 1 9 PRO HG3 1 22 PHE QE 1.800 . 6.850 3.358 3.100 3.692 . 0 0 "[ . 1]" 2
112 1 9 PRO HG3 1 22 PHE HZ 1.800 . 5.500 3.601 3.168 4.110 . 0 0 "[ . 1]" 2
113 1 9 PRO HD2 1 22 PHE QD 1.800 . 7.620 4.295 4.084 4.734 . 0 0 "[ . 1]" 2
114 1 9 PRO HD2 1 22 PHE QE 1.800 . 7.620 4.029 3.667 4.529 . 0 0 "[ . 1]" 2
115 1 9 PRO HD3 1 22 PHE QD 1.800 . 7.160 2.640 2.431 3.122 . 0 0 "[ . 1]" 2
116 1 9 PRO HD3 1 22 PHE QE 1.800 . 6.510 2.849 2.430 3.447 . 0 0 "[ . 1]" 2
117 1 10 TYR HA 1 10 TYR QD 1.800 . 5.410 2.399 1.931 2.588 . 0 0 "[ . 1]" 2
118 1 10 TYR HA 1 11 THR H 1.800 . 2.520 2.161 2.114 2.279 . 0 0 "[ . 1]" 2
119 1 10 TYR QB 1 11 THR H 1.800 . 5.660 3.813 3.570 3.972 . 0 0 "[ . 1]" 2
120 1 10 TYR QB 1 41 LYS H 1.800 . 6.380 3.265 2.207 4.548 . 0 0 "[ . 1]" 2
121 1 10 TYR QB 1 41 LYS HB2 1.800 . 6.380 2.365 2.011 2.931 . 0 0 "[ . 1]" 2
122 1 10 TYR QB 1 41 LYS HB3 1.800 . 6.380 3.498 3.107 4.061 . 0 0 "[ . 1]" 2
123 1 10 TYR QB 1 41 LYS QG 1.800 . 7.250 1.928 1.657 2.847 0.143 2 0 "[ . 1]" 2
124 1 10 TYR QB 1 41 LYS QD 1.800 . 5.070 3.331 1.926 3.883 . 0 0 "[ . 1]" 2
125 1 10 TYR QB 1 41 LYS QE 1.800 . 7.250 3.528 3.155 4.278 . 0 0 "[ . 1]" 2
126 1 10 TYR QD 1 11 THR H 1.800 . 7.640 3.717 2.731 4.442 . 0 0 "[ . 1]" 2
127 1 10 TYR QD 1 12 GLY HA2 1.800 . 7.640 3.648 3.195 4.266 . 0 0 "[ . 1]" 2
128 1 10 TYR QD 1 40 ALA HA 1.800 . 7.640 4.017 2.886 5.841 . 0 0 "[ . 1]" 2
129 1 10 TYR QD 1 41 LYS H 1.800 . 6.930 4.311 3.314 5.710 . 0 0 "[ . 1]" 2
130 1 10 TYR QD 1 41 LYS HB3 1.800 . 7.640 5.049 4.357 5.546 . 0 0 "[ . 1]" 2
131 1 10 TYR QD 1 41 LYS QD 1.800 . 5.900 3.811 1.884 4.629 . 0 0 "[ . 1]" 2
132 1 10 TYR QE 1 12 GLY HA3 1.800 . 6.240 3.757 3.032 5.563 . 0 0 "[ . 1]" 2
133 1 10 TYR QE 1 12 GLY HA2 1.800 . 6.300 2.964 2.282 4.064 . 0 0 "[ . 1]" 2
134 1 10 TYR QE 1 13 PRO QD 1.800 . 7.510 3.460 2.810 4.813 . 0 0 "[ . 1]" 2
135 1 10 TYR QE 1 39 ARG QB 1.800 . 6.300 3.087 1.836 5.004 . 0 0 "[ . 1]" 2
136 1 10 TYR QE 1 41 LYS QD 1.800 . 7.630 4.858 3.611 5.821 . 0 0 "[ . 1]" 2
137 1 10 TYR QE 1 41 LYS QE 1.800 . 8.510 3.803 3.089 4.977 . 0 0 "[ . 1]" 2
138 1 11 THR H 1 11 THR HB 1.800 . 2.830 2.462 2.289 2.539 . 0 0 "[ . 1]" 2
139 1 11 THR H 1 11 THR MG 1.800 . 5.720 3.766 3.698 3.821 . 0 0 "[ . 1]" 2
140 1 11 THR H 1 12 GLY H 1.800 . 3.080 2.350 2.021 2.631 . 0 0 "[ . 1]" 2
141 1 11 THR H 1 33 PHE QE 1.800 . 7.620 4.238 3.766 4.654 . 0 0 "[ . 1]" 2
142 1 11 THR HA 1 11 THR MG 1.800 . 4.390 2.446 2.323 2.544 . 0 0 "[ . 1]" 2
143 1 11 THR HA 1 12 GLY H 1.800 . 4.510 3.399 3.350 3.464 . 0 0 "[ . 1]" 2
144 1 11 THR HA 1 33 PHE QD 1.800 . 7.620 3.760 3.318 4.151 . 0 0 "[ . 1]" 2
145 1 11 THR HA 1 33 PHE QE 1.800 . 6.600 3.379 2.975 4.122 . 0 0 "[ . 1]" 2
146 1 11 THR HA 1 35 TYR HA 1.800 . 3.390 2.093 1.882 2.386 . 0 0 "[ . 1]" 2
147 1 11 THR HA 1 35 TYR HD1 1.800 . 4.320 1.884 1.748 2.293 0.052 8 0 "[ . 1]" 2
148 1 11 THR HA 1 35 TYR HD2 1.800 . 5.500 5.614 5.565 5.646 0.146 3 0 "[ . 1]" 2
149 1 11 THR HA 1 36 GLY H 1.800 . 3.700 2.515 2.240 3.092 . 0 0 "[ . 1]" 2
150 1 11 THR HB 1 12 GLY H 1.800 . 3.330 3.271 3.052 3.383 0.053 4 0 "[ . 1]" 2
151 1 11 THR MG 1 12 GLY H 1.800 . 6.530 3.929 3.765 4.064 . 0 0 "[ . 1]" 2
152 1 11 THR MG 1 33 PHE QD 1.800 . 8.650 3.989 3.390 4.382 . 0 0 "[ . 1]" 2
153 1 11 THR MG 1 33 PHE QE 1.800 . 8.650 4.755 4.198 5.585 . 0 0 "[ . 1]" 2
154 1 11 THR MG 1 34 VAL MG1 1.800 . 6.250 3.501 3.351 3.676 . 0 0 "[ . 1]" 2
155 1 11 THR MG 1 35 TYR HA 1.800 . 6.530 2.005 1.785 2.282 0.015 2 0 "[ . 1]" 2
156 1 11 THR MG 1 36 GLY H 1.800 . 5.410 2.069 1.890 2.210 . 0 0 "[ . 1]" 2
157 1 11 THR MG 1 36 GLY QA 1.800 . 6.530 2.889 2.601 3.039 . 0 0 "[ . 1]" 2
158 1 12 GLY H 1 12 GLY HA3 1.800 . 2.490 2.739 2.706 2.777 0.287 10 0 "[ . 1]" 2
159 1 12 GLY H 1 12 GLY HA2 1.800 . 2.960 2.264 2.260 2.270 . 0 0 "[ . 1]" 2
160 1 12 GLY H 1 13 PRO QD 1.800 . 5.500 4.121 3.862 4.217 . 0 0 "[ . 1]" 2
161 1 12 GLY HA3 1 13 PRO QD 1.800 . 3.390 2.595 2.490 2.820 . 0 0 "[ . 1]" 2
162 1 13 PRO HA 1 13 PRO QD 1.800 . 5.500 3.480 3.388 3.524 . 0 0 "[ . 1]" 2
163 1 13 PRO QD 1 13 PRO QG 1.800 . 5.820 1.958 1.947 1.972 . 0 0 "[ . 1]" 2
164 1 13 PRO QD 1 39 ARG QB 1.800 . 5.500 3.879 3.193 4.372 . 0 0 "[ . 1]" 2
165 1 14 CYS H 1 14 CYS HB2 1.800 . 3.080 2.365 2.178 2.674 . 0 0 "[ . 1]" 2
166 1 14 CYS HA 1 15 ARG H 1.800 . 2.400 2.490 2.456 2.518 0.118 5 0 "[ . 1]" 2
167 1 14 CYS HB2 1 15 ARG H 1.800 . 3.790 3.672 3.583 3.832 0.042 7 0 "[ . 1]" 2
168 1 14 CYS HB2 1 38 CYS H 1.800 . 3.020 3.085 3.027 3.117 0.097 7 0 "[ . 1]" 2
169 1 14 CYS HB3 1 15 ARG H 1.800 . 2.740 2.217 2.100 2.421 . 0 0 "[ . 1]" 2
170 1 14 CYS HB3 1 16 VAL H 1.800 . 4.290 2.784 2.314 3.882 . 0 0 "[ . 1]" 2
171 1 14 CYS HB3 1 16 VAL MG2 1.800 . 6.530 2.203 1.979 2.699 . 0 0 "[ . 1]" 2
172 1 15 ARG H 1 15 ARG QB 1.800 . 3.170 2.540 2.314 2.862 . 0 0 "[ . 1]" 2
173 1 15 ARG H 1 15 ARG QG 1.800 . 5.500 3.459 2.101 4.200 . 0 0 "[ . 1]" 2
174 1 15 ARG H 1 16 VAL MG2 1.800 . 6.530 2.802 2.674 2.903 . 0 0 "[ . 1]" 2
175 1 15 ARG HA 1 15 ARG QG 1.800 . 3.700 2.499 2.007 3.331 . 0 0 "[ . 1]" 2
176 1 15 ARG HA 1 16 VAL H 1.800 . 3.920 2.870 2.352 3.294 . 0 0 "[ . 1]" 2
177 1 15 ARG QD 1 15 ARG QG 1.800 . 6.350 2.048 2.022 2.090 . 0 0 "[ . 1]" 2
178 1 16 VAL H 1 16 VAL HB 1.800 . 3.080 2.979 2.880 3.138 0.058 6 0 "[ . 1]" 2
179 1 16 VAL H 1 16 VAL MG1 1.800 . 6.060 3.837 3.669 4.009 . 0 0 "[ . 1]" 2
180 1 16 VAL H 1 16 VAL MG2 1.800 . 3.830 2.061 1.794 2.654 0.006 4 0 "[ . 1]" 2
181 1 16 VAL H 1 17 ARG H 1.800 . 5.500 4.503 4.384 4.602 . 0 0 "[ . 1]" 2
182 1 16 VAL HA 1 16 VAL MG1 1.800 . 4.200 2.040 1.961 2.100 . 0 0 "[ . 1]" 2
183 1 16 VAL HA 1 16 VAL MG2 1.800 . 4.700 2.720 2.612 2.846 . 0 0 "[ . 1]" 2
184 1 16 VAL HA 1 17 ARG H 1.800 . 2.590 2.537 2.338 2.603 0.013 2 0 "[ . 1]" 2
185 1 16 VAL HB 1 17 ARG H 1.800 . 2.960 2.891 2.789 3.039 0.079 7 0 "[ . 1]" 2
186 1 16 VAL MG1 1 17 ARG H 1.800 . 4.730 1.912 1.751 2.338 0.049 1 0 "[ . 1]" 2
187 1 16 VAL MG2 1 17 ARG H 1.800 . 6.530 3.929 3.849 4.150 . 0 0 "[ . 1]" 2
188 1 16 VAL MG2 1 37 GLY HA3 1.800 . 5.880 2.505 2.465 2.591 . 0 0 "[ . 1]" 2
189 1 16 VAL MG2 1 37 GLY HA2 1.800 . 4.760 3.997 3.916 4.026 . 0 0 "[ . 1]" 2
190 1 17 ARG H 1 17 ARG HA 1.800 . 3.020 2.935 2.925 2.951 . 0 0 "[ . 1]" 2
191 1 17 ARG H 1 17 ARG QB 1.800 . 3.300 2.579 2.317 2.740 . 0 0 "[ . 1]" 2
192 1 17 ARG H 1 17 ARG QG 1.800 . 5.500 3.690 3.048 4.196 . 0 0 "[ . 1]" 2
193 1 17 ARG H 1 18 ILE H 1.800 . 5.500 3.723 3.368 4.272 . 0 0 "[ . 1]" 2
194 1 17 ARG H 1 34 VAL MG1 1.800 . 6.530 4.742 4.469 4.972 . 0 0 "[ . 1]" 2
195 1 17 ARG HA 1 17 ARG QG 1.800 . 4.290 2.289 2.010 2.473 . 0 0 "[ . 1]" 2
196 1 17 ARG HA 1 18 ILE H 1.800 . 2.400 2.266 2.155 2.361 . 0 0 "[ . 1]" 2
197 1 17 ARG HA 1 34 VAL MG1 1.800 . 3.920 2.290 2.030 2.539 . 0 0 "[ . 1]" 2
198 1 17 ARG QB 1 17 ARG HE 1.800 . 5.500 3.349 2.221 3.987 . 0 0 "[ . 1]" 2
199 1 17 ARG QB 1 34 VAL MG1 1.800 . 4.730 3.259 2.866 3.528 . 0 0 "[ . 1]" 2
200 1 17 ARG QD 1 17 ARG QG 1.800 . 5.500 2.037 1.971 2.090 . 0 0 "[ . 1]" 2
201 1 18 ILE H 1 18 ILE HB 1.800 . 2.740 2.593 2.480 2.755 0.015 6 0 "[ . 1]" 2
202 1 18 ILE H 1 18 ILE MG 1.800 . 5.410 3.830 3.786 3.899 . 0 0 "[ . 1]" 2
203 1 18 ILE H 1 18 ILE QG 1.800 . 4.010 2.800 2.671 3.032 . 0 0 "[ . 1]" 2
204 1 18 ILE H 1 35 TYR H 1.800 . 3.450 3.519 3.488 3.558 0.108 1 0 "[ . 1]" 2
205 1 18 ILE HA 1 19 ILE H 1.800 . 2.400 2.182 2.139 2.232 . 0 0 "[ . 1]" 2
206 1 18 ILE HA 1 19 ILE MD 1.800 . 6.530 3.689 2.823 4.664 . 0 0 "[ . 1]" 2
207 1 18 ILE HB 1 18 ILE MD 1.800 . 4.880 2.526 2.445 2.596 . 0 0 "[ . 1]" 2
208 1 18 ILE HB 1 35 TYR HB3 1.800 . 5.000 2.478 2.015 2.811 . 0 0 "[ . 1]" 2
209 1 18 ILE HB 1 35 TYR HD1 1.800 . 5.500 4.935 4.676 5.048 . 0 0 "[ . 1]" 2
210 1 18 ILE HB 1 35 TYR HD2 1.800 . 4.940 2.656 2.199 3.162 . 0 0 "[ . 1]" 2
211 1 18 ILE MG 1 19 ILE H 1.800 . 5.440 2.724 2.051 3.141 . 0 0 "[ . 1]" 2
212 1 18 ILE MG 1 20 ARG QD 1.800 . 5.910 2.572 1.717 3.249 0.083 2 0 "[ . 1]" 2
213 1 18 ILE MG 1 20 ARG HE 1.800 . 4.920 2.834 1.843 4.116 . 0 0 "[ . 1]" 2
214 1 18 ILE MG 1 35 TYR HD1 1.800 . 6.530 5.481 5.461 5.511 . 0 0 "[ . 1]" 2
215 1 18 ILE MD 1 35 TYR HD1 1.800 . 6.530 5.297 5.050 5.449 . 0 0 "[ . 1]" 2
216 1 18 ILE MD 1 35 TYR HE1 1.800 . 6.530 5.251 4.765 5.449 . 0 0 "[ . 1]" 2
217 1 18 ILE MD 1 35 TYR HE2 1.800 . 6.530 2.843 2.264 3.460 . 0 0 "[ . 1]" 2
218 1 18 ILE MD 1 35 TYR HD2 1.800 . 6.530 2.814 2.540 3.284 . 0 0 "[ . 1]" 2
219 1 18 ILE MD 1 37 GLY HA3 1.800 . 4.480 2.998 2.586 3.409 . 0 0 "[ . 1]" 2
220 1 18 ILE MD 1 37 GLY HA2 1.800 . 4.080 3.012 2.237 3.401 . 0 0 "[ . 1]" 2
221 1 19 ILE H 1 19 ILE HB 1.800 . 2.430 2.473 2.440 2.496 0.066 7 0 "[ . 1]" 2
222 1 19 ILE H 1 19 ILE MG 1.800 . 6.060 3.767 3.748 3.788 . 0 0 "[ . 1]" 2
223 1 19 ILE H 1 19 ILE QG 1.800 . 3.920 2.736 2.122 3.233 . 0 0 "[ . 1]" 2
224 1 19 ILE H 1 19 ILE MD 1.800 . 6.530 2.579 1.926 3.392 . 0 0 "[ . 1]" 2
225 1 19 ILE H 1 20 ARG H 1.800 . 3.950 3.997 3.945 4.036 0.086 6 0 "[ . 1]" 2
226 1 19 ILE HA 1 19 ILE MG 1.800 . 4.230 2.406 2.312 2.455 . 0 0 "[ . 1]" 2
227 1 19 ILE HA 1 19 ILE MD 1.800 . 4.480 2.845 1.958 3.544 . 0 0 "[ . 1]" 2
228 1 19 ILE HA 1 20 ARG H 1.800 . 2.400 2.276 2.258 2.300 . 0 0 "[ . 1]" 2
229 1 19 ILE HA 1 34 VAL HA 1.800 . 3.550 3.066 2.897 3.226 . 0 0 "[ . 1]" 2
230 1 19 ILE HA 1 35 TYR H 1.800 . 3.420 3.474 3.447 3.498 0.078 2 0 "[ . 1]" 2
231 1 19 ILE QG 1 19 ILE MG 1.800 . 4.390 2.117 1.899 2.376 . 0 0 "[ . 1]" 2
232 1 19 ILE MG 1 20 ARG H 1.800 . 4.420 3.457 3.354 3.570 . 0 0 "[ . 1]" 2
233 1 19 ILE MG 1 21 TYR QD 1.800 . 8.670 4.375 4.144 4.637 . 0 0 "[ . 1]" 2
234 1 19 ILE MG 1 21 TYR QE 1.800 . 8.100 3.709 3.294 4.108 . 0 0 "[ . 1]" 2
235 1 19 ILE MG 1 32 THR HA 1.800 . 6.060 3.787 3.499 4.001 . 0 0 "[ . 1]" 2
236 1 19 ILE MG 1 32 THR HB 1.800 . 3.550 1.941 1.785 2.069 0.015 8 0 "[ . 1]" 2
237 1 19 ILE MG 1 32 THR MG 1.800 . 5.350 2.482 2.167 2.775 . 0 0 "[ . 1]" 2
238 1 19 ILE MG 1 33 PHE H 1.800 . 5.660 3.108 2.943 3.322 . 0 0 "[ . 1]" 2
239 1 20 ARG H 1 20 ARG HB2 1.800 . 2.960 2.395 2.247 2.681 . 0 0 "[ . 1]" 2
240 1 20 ARG H 1 33 PHE H 1.800 . 2.930 2.965 2.933 3.008 0.078 6 0 "[ . 1]" 2
241 1 20 ARG HA 1 20 ARG QD 1.800 . 5.500 2.068 1.765 2.810 0.035 10 0 "[ . 1]" 2
242 1 20 ARG HA 1 20 ARG HE 1.800 . 5.500 2.974 1.828 3.521 . 0 0 "[ . 1]" 2
243 1 20 ARG HA 1 21 TYR H 1.800 . 2.830 2.491 2.470 2.555 . 0 0 "[ . 1]" 2
244 1 20 ARG HA 1 21 TYR QD 1.800 . 7.640 3.281 2.881 3.618 . 0 0 "[ . 1]" 2
245 1 20 ARG HB2 1 21 TYR H 1.800 . 3.640 3.518 3.225 3.675 0.035 7 0 "[ . 1]" 2
246 1 20 ARG HB2 1 33 PHE QD 1.800 . 7.620 3.646 3.517 3.786 . 0 0 "[ . 1]" 2
247 1 20 ARG HB2 1 33 PHE QE 1.800 . 6.940 2.872 2.650 3.308 . 0 0 "[ . 1]" 2
248 1 20 ARG HB2 1 33 PHE HZ 1.800 . 5.500 2.968 2.711 3.418 . 0 0 "[ . 1]" 2
249 1 20 ARG HB3 1 20 ARG QD 1.800 . 5.500 2.475 2.166 2.839 . 0 0 "[ . 1]" 2
250 1 20 ARG HB3 1 21 TYR H 1.800 . 2.490 2.230 2.037 2.335 . 0 0 "[ . 1]" 2
251 1 20 ARG HB3 1 33 PHE QE 1.800 . 7.030 2.805 2.192 3.747 . 0 0 "[ . 1]" 2
252 1 20 ARG HB3 1 45 PHE H 1.800 . 4.200 3.634 3.167 4.046 . 0 0 "[ . 1]" 2
253 1 20 ARG QD 1 20 ARG QG 1.800 . 5.500 2.039 1.997 2.071 . 0 0 "[ . 1]" 2
254 1 20 ARG QG 1 35 TYR HB2 1.800 . 5.280 2.832 2.107 3.207 . 0 0 "[ . 1]" 2
255 1 20 ARG QG 1 35 TYR HB3 1.800 . 5.310 2.183 1.839 2.355 . 0 0 "[ . 1]" 2
256 1 20 ARG QG 1 35 TYR HD1 1.800 . 5.220 4.629 4.401 4.707 . 0 0 "[ . 1]" 2
257 1 20 ARG QD 1 21 TYR H 1.800 . 5.500 3.110 2.548 4.200 . 0 0 "[ . 1]" 2
258 1 20 ARG QD 1 21 TYR QD 1.800 . 7.110 4.196 3.765 5.241 . 0 0 "[ . 1]" 2
259 1 20 ARG QD 1 46 LYS HA 1.800 . 3.270 2.454 1.878 2.937 . 0 0 "[ . 1]" 2
260 1 20 ARG HE 1 21 TYR QD 1.800 . 6.090 5.012 4.464 5.446 . 0 0 "[ . 1]" 2
261 1 20 ARG HE 1 21 TYR QE 1.800 . 7.140 6.164 4.930 6.389 . 0 0 "[ . 1]" 2
262 1 21 TYR H 1 21 TYR HB2 1.800 . 2.400 2.464 2.410 2.532 0.132 5 0 "[ . 1]" 2
263 1 21 TYR H 1 21 TYR QD 1.800 . 5.590 2.918 2.571 3.308 . 0 0 "[ . 1]" 2
264 1 21 TYR H 1 33 PHE QD 1.800 . 7.620 4.613 4.424 5.048 . 0 0 "[ . 1]" 2
265 1 21 TYR H 1 33 PHE QE 1.800 . 7.620 3.105 2.798 3.745 . 0 0 "[ . 1]" 2
266 1 21 TYR H 1 45 PHE H 1.800 . 2.960 2.764 2.215 3.012 0.052 9 0 "[ . 1]" 2
267 1 21 TYR HA 1 21 TYR HB2 1.800 . 3.050 3.008 2.967 3.018 . 0 0 "[ . 1]" 2
268 1 21 TYR HA 1 21 TYR QD 1.800 . 5.970 2.954 2.787 3.092 . 0 0 "[ . 1]" 2
269 1 21 TYR HA 1 32 THR HA 1.800 . 2.930 2.256 2.137 2.441 . 0 0 "[ . 1]" 2
270 1 21 TYR HA 1 32 THR HB 1.800 . 5.500 4.178 3.712 4.780 . 0 0 "[ . 1]" 2
271 1 21 TYR HA 1 32 THR MG 1.800 . 5.880 3.258 3.039 3.511 . 0 0 "[ . 1]" 2
272 1 21 TYR HA 1 33 PHE H 1.800 . 4.010 3.989 3.932 4.042 0.032 3 0 "[ . 1]" 2
273 1 21 TYR HA 1 33 PHE QD 1.800 . 7.500 3.274 3.166 3.557 . 0 0 "[ . 1]" 2
274 1 21 TYR HA 1 33 PHE QE 1.800 . 7.620 3.095 2.974 3.407 . 0 0 "[ . 1]" 2
275 1 21 TYR HB2 1 45 PHE HB3 1.800 . 4.630 3.830 3.589 4.095 . 0 0 "[ . 1]" 2
276 1 21 TYR HB3 1 22 PHE H 1.800 . 4.200 2.845 2.667 3.039 . 0 0 "[ . 1]" 2
277 1 21 TYR QD 1 22 PHE H 1.800 . 7.640 3.695 3.462 4.094 . 0 0 "[ . 1]" 2
278 1 21 TYR QD 1 30 CYS HB3 1.800 . 5.190 3.082 2.040 3.340 . 0 0 "[ . 1]" 2
279 1 21 TYR QD 1 31 GLN H 1.800 . 7.640 4.522 4.025 4.970 . 0 0 "[ . 1]" 2
280 1 21 TYR QD 1 32 THR HA 1.800 . 7.640 3.805 3.566 4.047 . 0 0 "[ . 1]" 2
281 1 21 TYR QD 1 32 THR MG 1.800 . 7.240 2.530 2.216 3.001 . 0 0 "[ . 1]" 2
282 1 21 TYR QD 1 46 LYS HA 1.800 . 7.640 3.561 2.873 4.987 . 0 0 "[ . 1]" 2
283 1 21 TYR QD 1 47 SER HA 1.800 . 7.520 2.839 2.144 3.243 . 0 0 "[ . 1]" 2
284 1 21 TYR QD 1 47 SER HB2 1.800 . 7.640 5.151 4.631 5.653 . 0 0 "[ . 1]" 2
285 1 21 TYR QD 1 48 ALA H 1.800 . 7.640 3.862 3.228 4.648 . 0 0 "[ . 1]" 2
286 1 21 TYR QD 1 48 ALA HA 1.800 . 6.990 3.264 2.733 4.595 . 0 0 "[ . 1]" 2
287 1 21 TYR QD 1 48 ALA MB 1.800 . 7.610 3.354 2.894 4.751 . 0 0 "[ . 1]" 2
288 1 21 TYR QE 1 31 GLN HA 1.800 . 7.630 4.696 3.731 5.416 . 0 0 "[ . 1]" 2
289 1 21 TYR QE 1 32 THR MG 1.800 . 6.610 2.302 2.071 2.582 . 0 0 "[ . 1]" 2
290 1 21 TYR QE 1 47 SER HA 1.800 . 5.930 2.367 2.048 3.118 . 0 0 "[ . 1]" 2
291 1 21 TYR QE 1 48 ALA H 1.800 . 7.630 3.307 2.986 4.374 . 0 0 "[ . 1]" 2
292 1 21 TYR QE 1 48 ALA HA 1.800 . 7.630 3.953 3.603 5.205 . 0 0 "[ . 1]" 2
293 1 21 TYR QE 1 48 ALA MB 1.800 . 6.710 2.776 2.216 4.516 . 0 0 "[ . 1]" 2
294 1 22 PHE H 1 22 PHE HB2 1.800 . 4.350 3.982 3.957 4.015 . 0 0 "[ . 1]" 2
295 1 22 PHE H 1 22 PHE HB3 1.800 . 3.950 3.223 3.162 3.286 . 0 0 "[ . 1]" 2
296 1 22 PHE H 1 22 PHE QD 1.800 . 5.510 2.474 2.398 2.727 . 0 0 "[ . 1]" 2
297 1 22 PHE H 1 31 GLN H 1.800 . 2.900 2.885 2.702 2.931 0.031 7 0 "[ . 1]" 2
298 1 22 PHE H 1 32 THR HA 1.800 . 5.310 3.678 3.459 3.864 . 0 0 "[ . 1]" 2
299 1 22 PHE H 1 33 PHE QD 1.800 . 7.310 4.011 3.746 4.138 . 0 0 "[ . 1]" 2
300 1 22 PHE HA 1 22 PHE HB2 1.800 . 2.490 2.358 2.334 2.390 . 0 0 "[ . 1]" 2
301 1 22 PHE HA 1 22 PHE HB3 1.800 . 2.490 2.540 2.527 2.551 0.061 10 0 "[ . 1]" 2
302 1 22 PHE HA 1 23 TYR H 1.800 . 2.550 2.478 2.410 2.530 . 0 0 "[ . 1]" 2
303 1 22 PHE HA 1 43 ASN HD22 1.800 . 5.500 4.272 3.822 4.595 . 0 0 "[ . 1]" 2
304 1 22 PHE HA 1 45 PHE QD 1.800 . 6.690 2.918 2.685 3.194 . 0 0 "[ . 1]" 2
305 1 22 PHE HB2 1 23 TYR H 1.800 . 3.480 2.301 2.234 2.379 . 0 0 "[ . 1]" 2
306 1 22 PHE HB2 1 33 PHE QD 1.800 . 7.620 5.368 5.113 5.573 . 0 0 "[ . 1]" 2
307 1 22 PHE HB2 1 43 ASN HD22 1.800 . 4.720 3.869 2.806 4.691 . 0 0 "[ . 1]" 2
308 1 22 PHE HB3 1 23 TYR H 1.800 . 3.640 3.737 3.701 3.777 0.137 5 0 "[ . 1]" 2
309 1 22 PHE QD 1 23 TYR H 1.800 . 7.400 2.855 2.637 3.060 . 0 0 "[ . 1]" 2
310 1 22 PHE QD 1 24 ASN HA 1.800 . 7.620 3.346 3.146 3.443 . 0 0 "[ . 1]" 2
311 1 22 PHE QD 1 31 GLN H 1.800 . 7.620 3.631 3.513 3.797 . 0 0 "[ . 1]" 2
312 1 22 PHE QD 1 32 THR HA 1.800 . 7.620 3.399 3.143 3.707 . 0 0 "[ . 1]" 2
313 1 22 PHE QD 1 33 PHE HB3 1.800 . 6.040 3.920 3.588 4.356 . 0 0 "[ . 1]" 2
314 1 22 PHE QD 1 43 ASN HD22 1.800 . 6.470 4.174 2.511 5.407 . 0 0 "[ . 1]" 2
315 1 22 PHE QE 1 24 ASN HA 1.800 . 6.410 2.166 1.969 2.422 . 0 0 "[ . 1]" 2
316 1 22 PHE QE 1 24 ASN HB2 1.800 . 5.330 2.989 2.782 3.150 . 0 0 "[ . 1]" 2
317 1 22 PHE QE 1 25 ALA H 1.800 . 7.620 3.792 3.471 4.083 . 0 0 "[ . 1]" 2
318 1 22 PHE QE 1 31 GLN H 1.800 . 7.620 3.880 3.759 4.111 . 0 0 "[ . 1]" 2
319 1 22 PHE QE 1 31 GLN HA 1.800 . 7.620 4.581 4.307 4.956 . 0 0 "[ . 1]" 2
320 1 22 PHE QE 1 33 PHE HB3 1.800 . 7.190 3.460 3.241 3.942 . 0 0 "[ . 1]" 2
321 1 22 PHE HZ 1 24 ASN HA 1.800 . 5.500 3.893 3.512 4.124 . 0 0 "[ . 1]" 2
322 1 22 PHE HZ 1 24 ASN HB2 1.800 . 2.860 2.900 2.891 2.924 0.064 5 0 "[ . 1]" 2
323 1 22 PHE HZ 1 24 ASN HD21 1.800 . 4.660 1.967 1.832 2.106 . 0 0 "[ . 1]" 2
324 1 22 PHE HZ 1 31 GLN HB2 1.800 . 5.500 2.990 2.553 3.345 . 0 0 "[ . 1]" 2
325 1 23 TYR H 1 23 TYR HB2 1.800 . 3.020 2.899 2.807 2.996 . 0 0 "[ . 1]" 2
326 1 23 TYR H 1 23 TYR HB3 1.800 . 2.520 2.509 2.474 2.533 0.013 10 0 "[ . 1]" 2
327 1 23 TYR H 1 43 ASN HD21 1.800 . 4.880 3.823 3.245 4.372 . 0 0 "[ . 1]" 2
328 1 23 TYR H 1 43 ASN HD22 1.800 . 3.390 2.509 1.875 3.152 . 0 0 "[ . 1]" 2
329 1 23 TYR HA 1 23 TYR QD 1.800 . 7.640 2.596 2.447 2.735 . 0 0 "[ . 1]" 2
330 1 23 TYR HA 1 24 ASN H 1.800 . 2.400 2.213 2.197 2.236 . 0 0 "[ . 1]" 2
331 1 23 TYR HA 1 30 CYS HA 1.800 . 2.650 2.294 2.139 2.453 . 0 0 "[ . 1]" 2
332 1 23 TYR HA 1 31 GLN H 1.800 . 3.730 3.652 3.513 3.759 0.029 8 0 "[ . 1]" 2
333 1 23 TYR HB2 1 43 ASN HD22 1.800 . 4.600 3.273 2.672 3.847 . 0 0 "[ . 1]" 2
334 1 23 TYR HB2 1 55 CYS QB 1.800 . 3.950 2.730 2.315 3.411 . 0 0 "[ . 1]" 2
335 1 23 TYR HB3 1 43 ASN HD21 1.800 . 4.070 3.860 3.576 4.079 0.009 7 0 "[ . 1]" 2
336 1 23 TYR HB3 1 43 ASN HD22 1.800 . 4.630 2.236 1.967 2.528 . 0 0 "[ . 1]" 2
337 1 23 TYR HB3 1 55 CYS QB 1.800 . 5.500 3.760 3.384 4.452 . 0 0 "[ . 1]" 2
338 1 23 TYR QD 1 25 ALA HA 1.800 . 7.640 4.198 4.025 4.410 . 0 0 "[ . 1]" 2
339 1 23 TYR QD 1 25 ALA MB 1.800 . 8.570 3.733 3.571 3.861 . 0 0 "[ . 1]" 2
340 1 23 TYR QD 1 55 CYS QB 1.800 . 7.640 3.021 2.533 4.042 . 0 0 "[ . 1]" 2
341 1 23 TYR QE 1 25 ALA H 1.800 . 7.630 5.301 5.102 5.593 . 0 0 "[ . 1]" 2
342 1 23 TYR QE 1 25 ALA HA 1.800 . 4.810 3.437 3.151 3.713 . 0 0 "[ . 1]" 2
343 1 23 TYR QE 1 25 ALA MB 1.800 . 6.270 3.478 3.236 3.782 . 0 0 "[ . 1]" 2
344 1 23 TYR QE 1 28 GLY HA3 1.800 . 6.110 4.284 4.089 4.494 . 0 0 "[ . 1]" 2
345 1 23 TYR QE 1 30 CYS H 1.800 . 7.630 5.117 4.802 5.307 . 0 0 "[ . 1]" 2
346 1 23 TYR QE 1 52 LEU MD2 1.800 . 8.660 5.109 4.811 5.694 . 0 0 "[ . 1]" 2
347 1 23 TYR QE 1 55 CYS QB 1.800 . 7.630 3.976 3.456 5.107 . 0 0 "[ . 1]" 2
348 1 24 ASN H 1 24 ASN HB2 1.800 . 2.400 2.456 2.405 2.503 0.103 8 0 "[ . 1]" 2
349 1 24 ASN H 1 24 ASN HB3 1.800 . 2.680 2.569 2.496 2.655 . 0 0 "[ . 1]" 2
350 1 24 ASN H 1 29 LEU H 1.800 . 4.170 4.202 4.192 4.212 0.042 1 0 "[ . 1]" 2
351 1 24 ASN H 1 30 CYS HA 1.800 . 3.020 2.764 2.645 2.891 . 0 0 "[ . 1]" 2
352 1 24 ASN H 1 31 GLN H 1.800 . 5.500 3.112 3.004 3.241 . 0 0 "[ . 1]" 2
353 1 24 ASN HA 1 25 ALA H 1.800 . 2.680 2.158 2.149 2.173 . 0 0 "[ . 1]" 2
354 1 24 ASN HA 1 26 LYS H 1.800 . 4.350 3.622 3.554 3.700 . 0 0 "[ . 1]" 2
355 1 24 ASN HB2 1 24 ASN HD21 1.800 . 2.860 2.179 2.110 2.276 . 0 0 "[ . 1]" 2
356 1 24 ASN HB2 1 27 ALA MB 1.800 . 6.160 3.959 3.695 4.285 . 0 0 "[ . 1]" 2
357 1 24 ASN HB3 1 27 ALA MB 1.800 . 5.070 2.737 2.392 3.008 . 0 0 "[ . 1]" 2
358 1 24 ASN HD21 1 31 GLN QE 1.800 . 5.500 4.192 2.573 4.898 . 0 0 "[ . 1]" 2
359 1 24 ASN HD22 1 27 ALA MB 1.800 . 5.690 4.399 4.020 4.735 . 0 0 "[ . 1]" 2
360 1 25 ALA H 1 25 ALA MB 1.800 . 3.860 2.174 2.102 2.245 . 0 0 "[ . 1]" 2
361 1 25 ALA H 1 26 LYS H 1.800 . 2.960 2.740 2.665 2.835 . 0 0 "[ . 1]" 2
362 1 25 ALA HA 1 26 LYS H 1.800 . 3.670 3.125 3.080 3.167 . 0 0 "[ . 1]" 2
363 1 25 ALA HA 1 28 GLY H 1.800 . 3.330 3.352 3.342 3.367 0.037 3 0 "[ . 1]" 2
364 1 25 ALA MB 1 26 LYS H 1.800 . 4.360 3.495 3.451 3.532 . 0 0 "[ . 1]" 2
365 1 26 LYS H 1 26 LYS HA 1.800 . 3.110 2.950 2.948 2.953 . 0 0 "[ . 1]" 2
366 1 26 LYS H 1 26 LYS QB 1.800 . 3.490 2.410 2.284 2.649 . 0 0 "[ . 1]" 2
367 1 26 LYS H 1 26 LYS QG 1.800 . 5.500 3.420 2.387 4.158 . 0 0 "[ . 1]" 2
368 1 26 LYS H 1 27 ALA H 1.800 . 2.590 1.937 1.888 1.977 . 0 0 "[ . 1]" 2
369 1 26 LYS H 1 27 ALA MB 1.800 . 4.980 3.853 3.779 3.936 . 0 0 "[ . 1]" 2
370 1 26 LYS H 1 28 GLY H 1.800 . 2.770 2.829 2.817 2.842 0.072 4 0 "[ . 1]" 2
371 1 26 LYS HA 1 26 LYS QD 1.800 . 6.380 3.690 3.123 4.142 . 0 0 "[ . 1]" 2
372 1 26 LYS HA 1 27 ALA H 1.800 . 3.730 3.502 3.489 3.512 . 0 0 "[ . 1]" 2
373 1 26 LYS QB 1 27 ALA H 1.800 . 4.110 2.668 2.499 2.776 . 0 0 "[ . 1]" 2
374 1 27 ALA H 1 27 ALA MB 1.800 . 3.520 2.282 2.213 2.407 . 0 0 "[ . 1]" 2
375 1 27 ALA H 1 28 GLY H 1.800 . 2.430 2.125 2.063 2.243 . 0 0 "[ . 1]" 2
376 1 27 ALA HA 1 28 GLY H 1.800 . 4.010 3.366 3.336 3.397 . 0 0 "[ . 1]" 2
377 1 27 ALA MB 1 28 GLY H 1.800 . 5.660 3.181 3.100 3.258 . 0 0 "[ . 1]" 2
378 1 27 ALA MB 1 29 LEU H 1.800 . 4.330 2.543 2.325 2.676 . 0 0 "[ . 1]" 2
379 1 27 ALA MB 1 29 LEU MD1 1.800 . 6.840 2.760 2.181 3.226 . 0 0 "[ . 1]" 2
380 1 27 ALA MB 1 29 LEU MD2 1.800 . 7.560 3.609 1.928 4.762 . 0 0 "[ . 1]" 2
381 1 27 ALA MB 1 31 GLN QE 1.800 . 6.530 2.577 1.826 4.466 . 0 0 "[ . 1]" 2
382 1 28 GLY H 1 28 GLY HA3 1.800 . 2.460 2.756 2.738 2.771 0.311 1 0 "[ . 1]" 2
383 1 28 GLY H 1 29 LEU H 1.800 . 2.650 2.698 2.684 2.716 0.066 8 0 "[ . 1]" 2
384 1 28 GLY HA3 1 29 LEU H 1.800 . 2.990 3.222 3.187 3.250 0.260 2 0 "[ . 1]" 2
385 1 28 GLY HA2 1 29 LEU H 1.800 . 3.580 3.217 3.166 3.271 . 0 0 "[ . 1]" 2
386 1 29 LEU H 1 29 LEU QB 1.800 . 4.140 2.737 2.518 3.075 . 0 0 "[ . 1]" 2
387 1 29 LEU H 1 29 LEU HG 1.800 . 3.110 2.494 1.814 3.039 . 0 0 "[ . 1]" 2
388 1 29 LEU HA 1 29 LEU MD1 1.800 . 6.530 3.858 3.741 3.930 . 0 0 "[ . 1]" 2
389 1 29 LEU HA 1 30 CYS H 1.800 . 2.550 2.471 2.418 2.539 . 0 0 "[ . 1]" 2
390 1 29 LEU QB 1 30 CYS H 1.800 . 2.800 2.255 2.110 2.377 . 0 0 "[ . 1]" 2
391 1 29 LEU QB 1 29 LEU MD1 1.800 . 5.260 2.035 1.926 2.167 . 0 0 "[ . 1]" 2
392 1 29 LEU MD1 1 30 CYS H 1.800 . 6.530 3.958 3.081 4.623 . 0 0 "[ . 1]" 2
393 1 29 LEU MD1 1 31 GLN QE 1.800 . 5.720 3.487 1.867 4.190 . 0 0 "[ . 1]" 2
394 1 29 LEU MD2 1 30 CYS H 1.800 . 5.470 3.846 3.229 4.575 . 0 0 "[ . 1]" 2
395 1 30 CYS H 1 30 CYS HA 1.800 . 3.050 2.887 2.874 2.893 . 0 0 "[ . 1]" 2
396 1 30 CYS H 1 30 CYS HB2 1.800 . 2.620 2.182 2.156 2.210 . 0 0 "[ . 1]" 2
397 1 30 CYS H 1 30 CYS HB3 1.800 . 3.360 3.456 3.372 3.496 0.136 9 0 "[ . 1]" 2
398 1 30 CYS H 1 52 LEU MD2 1.800 . 6.530 3.665 3.046 4.908 . 0 0 "[ . 1]" 2
399 1 30 CYS HA 1 30 CYS HB3 1.800 . 2.830 2.671 2.615 2.783 . 0 0 "[ . 1]" 2
400 1 30 CYS HA 1 31 GLN H 1.800 . 2.400 2.147 2.126 2.162 . 0 0 "[ . 1]" 2
401 1 30 CYS HB2 1 31 GLN H 1.800 . 5.380 4.442 4.411 4.472 . 0 0 "[ . 1]" 2
402 1 30 CYS HB2 1 48 ALA MB 1.800 . 6.530 4.192 3.605 4.653 . 0 0 "[ . 1]" 2
403 1 30 CYS HB3 1 31 GLN H 1.800 . 3.520 3.491 3.432 3.537 0.017 5 0 "[ . 1]" 2
404 1 30 CYS HB3 1 48 ALA HA 1.800 . 5.440 3.812 3.398 4.132 . 0 0 "[ . 1]" 2
405 1 30 CYS HB3 1 48 ALA MB 1.800 . 6.530 4.128 3.720 4.694 . 0 0 "[ . 1]" 2
406 1 30 CYS HB3 1 51 CYS HB3 1.800 . 5.000 3.207 2.892 4.454 . 0 0 "[ . 1]" 2
407 1 31 GLN H 1 31 GLN HB2 1.800 . 3.240 2.664 2.534 2.749 . 0 0 "[ . 1]" 2
408 1 31 GLN H 1 31 GLN QG 1.800 . 5.340 2.749 2.542 2.978 . 0 0 "[ . 1]" 2
409 1 31 GLN HA 1 31 GLN QG 1.800 . 4.970 2.547 2.381 2.807 . 0 0 "[ . 1]" 2
410 1 31 GLN HA 1 32 THR H 1.800 . 2.490 2.462 2.400 2.504 0.014 4 0 "[ . 1]" 2
411 1 31 GLN HA 1 32 THR MG 1.800 . 6.530 3.374 3.108 3.652 . 0 0 "[ . 1]" 2
412 1 31 GLN HB2 1 32 THR H 1.800 . 3.360 3.389 3.371 3.427 0.067 8 0 "[ . 1]" 2
413 1 31 GLN HB3 1 32 THR H 1.800 . 2.520 2.320 2.127 2.427 . 0 0 "[ . 1]" 2
414 1 31 GLN QG 1 32 THR H 1.800 . 5.220 4.079 3.625 4.305 . 0 0 "[ . 1]" 2
415 1 32 THR H 1 32 THR HA 1.800 . 3.110 2.934 2.923 2.944 . 0 0 "[ . 1]" 2
416 1 32 THR H 1 32 THR HB 1.800 . 4.200 3.697 3.633 3.770 . 0 0 "[ . 1]" 2
417 1 32 THR H 1 32 THR MG 1.800 . 4.020 2.555 2.291 2.786 . 0 0 "[ . 1]" 2
418 1 32 THR HA 1 32 THR HB 1.800 . 2.620 2.414 2.307 2.542 . 0 0 "[ . 1]" 2
419 1 32 THR HA 1 32 THR MG 1.800 . 3.830 2.470 2.286 2.644 . 0 0 "[ . 1]" 2
420 1 32 THR HA 1 33 PHE H 1.800 . 2.400 2.395 2.326 2.435 0.035 7 0 "[ . 1]" 2
421 1 32 THR HA 1 33 PHE QD 1.800 . 7.310 2.528 2.397 2.667 . 0 0 "[ . 1]" 2
422 1 32 THR HB 1 33 PHE H 1.800 . 2.680 2.457 2.312 2.575 . 0 0 "[ . 1]" 2
423 1 32 THR HB 1 33 PHE QD 1.800 . 7.620 4.175 3.973 4.386 . 0 0 "[ . 1]" 2
424 1 32 THR MG 1 33 PHE H 1.800 . 6.000 3.787 3.580 3.967 . 0 0 "[ . 1]" 2
425 1 33 PHE H 1 33 PHE HB2 1.800 . 4.200 3.969 3.898 3.993 . 0 0 "[ . 1]" 2
426 1 33 PHE H 1 33 PHE HB3 1.800 . 4.260 3.533 3.461 3.630 . 0 0 "[ . 1]" 2
427 1 33 PHE H 1 33 PHE QD 1.800 . 5.540 2.290 2.116 2.505 . 0 0 "[ . 1]" 2
428 1 33 PHE HA 1 33 PHE HB2 1.800 . 2.930 2.496 2.458 2.578 . 0 0 "[ . 1]" 2
429 1 33 PHE HA 1 33 PHE HB3 1.800 . 2.930 2.399 2.340 2.433 . 0 0 "[ . 1]" 2
430 1 33 PHE HA 1 33 PHE QD 1.800 . 6.230 3.613 3.571 3.644 . 0 0 "[ . 1]" 2
431 1 33 PHE HA 1 34 VAL H 1.800 . 2.520 2.366 2.311 2.406 . 0 0 "[ . 1]" 2
432 1 33 PHE HA 1 34 VAL MG2 1.800 . 6.250 3.328 3.234 3.453 . 0 0 "[ . 1]" 2
433 1 33 PHE HB2 1 34 VAL H 1.800 . 2.740 2.434 2.341 2.583 . 0 0 "[ . 1]" 2
434 1 33 PHE HB3 1 34 VAL H 1.800 . 3.640 3.690 3.652 3.719 0.079 6 0 "[ . 1]" 2
435 1 33 PHE QD 1 34 VAL H 1.800 . 6.070 3.875 3.612 4.175 . 0 0 "[ . 1]" 2
436 1 33 PHE QE 1 34 VAL H 1.800 . 7.620 5.847 5.596 6.197 . 0 0 "[ . 1]" 2
437 1 33 PHE QE 1 35 TYR HA 1.800 . 6.660 3.753 3.288 4.370 . 0 0 "[ . 1]" 2
438 1 33 PHE QE 1 35 TYR HB2 1.800 . 7.280 2.620 2.151 3.251 . 0 0 "[ . 1]" 2
439 1 33 PHE QE 1 35 TYR HB3 1.800 . 7.620 4.214 3.727 4.892 . 0 0 "[ . 1]" 2
440 1 33 PHE QE 1 35 TYR HD1 1.800 . 7.620 3.986 3.577 4.617 . 0 0 "[ . 1]" 2
441 1 33 PHE QE 1 44 ASN HA 1.800 . 5.420 3.124 2.901 3.270 . 0 0 "[ . 1]" 2
442 1 33 PHE QE 1 44 ASN QB 1.800 . 7.620 3.642 2.776 4.108 . 0 0 "[ . 1]" 2
443 1 33 PHE QE 1 44 ASN HD22 1.800 . 7.620 3.806 2.495 5.375 . 0 0 "[ . 1]" 2
444 1 33 PHE QE 1 45 PHE H 1.800 . 7.620 3.999 3.718 4.215 . 0 0 "[ . 1]" 2
445 1 33 PHE HZ 1 35 TYR HB2 1.800 . 4.880 3.698 3.163 4.576 . 0 0 "[ . 1]" 2
446 1 33 PHE HZ 1 44 ASN HA 1.800 . 4.720 2.642 2.199 3.162 . 0 0 "[ . 1]" 2
447 1 33 PHE HZ 1 44 ASN QB 1.800 . 3.670 2.651 1.826 3.283 . 0 0 "[ . 1]" 2
448 1 33 PHE HZ 1 44 ASN HD21 1.800 . 5.190 3.355 2.241 4.591 . 0 0 "[ . 1]" 2
449 1 33 PHE HZ 1 44 ASN HD22 1.800 . 5.500 3.676 2.610 5.223 . 0 0 "[ . 1]" 2
450 1 34 VAL H 1 34 VAL HA 1.800 . 2.960 2.893 2.881 2.910 . 0 0 "[ . 1]" 2
451 1 34 VAL H 1 34 VAL HB 1.800 . 2.550 2.573 2.563 2.579 0.029 8 0 "[ . 1]" 2
452 1 34 VAL H 1 34 VAL MG1 1.800 . 5.010 3.791 3.780 3.807 . 0 0 "[ . 1]" 2
453 1 34 VAL H 1 34 VAL MG2 1.800 . 3.830 2.219 2.115 2.334 . 0 0 "[ . 1]" 2
454 1 34 VAL H 1 35 TYR H 1.800 . 3.700 3.772 3.743 3.799 0.099 9 0 "[ . 1]" 2
455 1 34 VAL HA 1 34 VAL MG2 1.800 . 4.050 2.435 2.359 2.488 . 0 0 "[ . 1]" 2
456 1 34 VAL HA 1 35 TYR H 1.800 . 2.400 2.387 2.359 2.414 0.014 7 0 "[ . 1]" 2
457 1 34 VAL MG2 1 35 TYR H 1.800 . 6.530 4.321 4.296 4.349 . 0 0 "[ . 1]" 2
458 1 35 TYR H 1 35 TYR HA 1.800 . 2.930 2.835 2.799 2.862 . 0 0 "[ . 1]" 2
459 1 35 TYR H 1 35 TYR HB2 1.800 . 2.900 2.804 2.641 2.964 0.064 7 0 "[ . 1]" 2
460 1 35 TYR H 1 35 TYR HB3 1.800 . 2.740 2.262 2.183 2.381 . 0 0 "[ . 1]" 2
461 1 35 TYR HA 1 35 TYR HD1 1.800 . 3.890 2.396 2.168 2.679 . 0 0 "[ . 1]" 2
462 1 35 TYR HA 1 35 TYR HD2 1.800 . 4.910 4.698 4.640 4.717 . 0 0 "[ . 1]" 2
463 1 35 TYR HA 1 36 GLY H 1.800 . 2.490 2.266 2.212 2.323 . 0 0 "[ . 1]" 2
464 1 35 TYR HB2 1 35 TYR HD1 1.800 . 3.860 2.899 2.703 3.136 . 0 0 "[ . 1]" 2
465 1 35 TYR HB2 1 44 ASN HD22 1.800 . 4.630 4.360 3.953 4.678 0.048 5 0 "[ . 1]" 2
466 1 35 TYR HB3 1 35 TYR HD1 1.800 . 3.580 3.683 3.636 3.706 0.126 6 0 "[ . 1]" 2
467 1 35 TYR HB3 1 35 TYR HE1 1.800 . 5.500 5.435 5.394 5.462 . 0 0 "[ . 1]" 2
468 1 35 TYR HB3 1 35 TYR HD2 1.800 . 3.950 2.305 2.269 2.404 . 0 0 "[ . 1]" 2
469 1 35 TYR HD1 1 36 GLY H 1.800 . 5.100 1.936 1.798 2.165 0.002 8 0 "[ . 1]" 2
470 1 35 TYR HD1 1 40 ALA HA 1.800 . 5.500 4.618 4.443 4.821 . 0 0 "[ . 1]" 2
471 1 35 TYR HE1 1 35 TYR HH 1.800 . 3.700 2.797 2.232 3.519 . 0 0 "[ . 1]" 2
472 1 35 TYR HE1 1 37 GLY H 1.800 . 5.500 2.948 2.570 3.263 . 0 0 "[ . 1]" 2
473 1 35 TYR HE1 1 37 GLY HA3 1.800 . 4.380 4.516 4.464 4.582 0.202 7 0 "[ . 1]" 2
474 1 35 TYR HE1 1 40 ALA H 1.800 . 5.500 3.549 2.933 4.058 . 0 0 "[ . 1]" 2
475 1 35 TYR HE1 1 40 ALA HA 1.800 . 3.390 3.188 2.909 3.413 0.023 7 0 "[ . 1]" 2
476 1 35 TYR HE1 1 40 ALA MB 1.800 . 5.630 3.770 3.484 4.456 . 0 0 "[ . 1]" 2
477 1 35 TYR HE1 1 44 ASN HD21 1.800 . 5.500 5.080 4.328 5.520 0.020 9 0 "[ . 1]" 2
478 1 35 TYR HE1 1 44 ASN HD22 1.800 . 5.500 5.080 4.664 5.475 . 0 0 "[ . 1]" 2
479 1 35 TYR HE2 1 35 TYR HH 1.800 . 3.610 3.006 2.244 3.542 . 0 0 "[ . 1]" 2
480 1 35 TYR HE2 1 37 GLY H 1.800 . 5.500 4.115 3.472 5.072 . 0 0 "[ . 1]" 2
481 1 35 TYR HE2 1 37 GLY HA3 1.800 . 5.000 4.469 4.273 5.023 0.023 2 0 "[ . 1]" 2
482 1 35 TYR HE2 1 37 GLY HA2 1.800 . 5.500 2.944 2.748 3.337 . 0 0 "[ . 1]" 2
483 1 35 TYR HE2 1 38 CYS H 1.800 . 5.500 5.112 4.958 5.241 . 0 0 "[ . 1]" 2
484 1 35 TYR HE2 1 40 ALA H 1.800 . 5.500 5.265 4.786 5.577 0.077 2 0 "[ . 1]" 2
485 1 35 TYR HE2 1 40 ALA HA 1.800 . 4.630 4.617 4.367 4.697 0.067 4 0 "[ . 1]" 2
486 1 35 TYR HE2 1 40 ALA MB 1.800 . 6.470 3.090 2.637 4.015 . 0 0 "[ . 1]" 2
487 1 35 TYR HD2 1 36 GLY H 1.800 . 5.500 5.076 4.817 5.496 . 0 0 "[ . 1]" 2
488 1 35 TYR HD2 1 37 GLY H 1.800 . 5.500 4.259 3.478 5.633 0.133 6 0 "[ . 1]" 2
489 1 35 TYR HH 1 38 CYS HA 1.800 . 5.500 4.206 3.565 4.950 . 0 0 "[ . 1]" 2
490 1 35 TYR HH 1 40 ALA H 1.800 . 4.790 2.810 2.115 3.927 . 0 0 "[ . 1]" 2
491 1 35 TYR HH 1 40 ALA MB 1.800 . 5.810 2.468 1.998 3.340 . 0 0 "[ . 1]" 2
492 1 37 GLY H 1 37 GLY HA3 1.800 . 2.680 2.790 2.744 2.846 0.166 4 0 "[ . 1]" 2
493 1 37 GLY H 1 38 CYS H 1.800 . 3.240 2.526 1.899 2.850 . 0 0 "[ . 1]" 2
494 1 37 GLY HA2 1 38 CYS H 1.800 . 2.900 2.989 2.814 3.060 0.160 3 0 "[ . 1]" 2
495 1 38 CYS HA 1 39 ARG H 1.800 . 2.460 2.225 2.110 2.663 0.203 2 0 "[ . 1]" 2
496 1 38 CYS HA 1 40 ALA H 1.800 . 4.350 4.181 3.660 4.385 0.035 5 0 "[ . 1]" 2
497 1 38 CYS QB 1 39 ARG H 1.800 . 4.820 3.401 1.953 3.892 . 0 0 "[ . 1]" 2
498 1 39 ARG H 1 39 ARG HA 1.800 . 2.400 2.314 2.269 2.610 0.210 2 0 "[ . 1]" 2
499 1 39 ARG H 1 39 ARG QG 1.800 . 5.130 3.755 3.060 4.414 . 0 0 "[ . 1]" 2
500 1 39 ARG H 1 40 ALA H 1.800 . 3.020 3.032 2.887 3.094 0.074 8 0 "[ . 1]" 2
501 1 39 ARG H 1 40 ALA MB 1.800 . 6.530 4.509 4.035 4.847 . 0 0 "[ . 1]" 2
502 1 39 ARG HA 1 40 ALA H 1.800 . 3.420 2.939 2.500 3.486 0.066 7 0 "[ . 1]" 2
503 1 39 ARG QB 1 39 ARG QD 1.800 . 5.500 2.209 1.924 2.353 . 0 0 "[ . 1]" 2
504 1 39 ARG QB 1 40 ALA H 1.800 . 4.970 3.578 2.886 3.986 . 0 0 "[ . 1]" 2
505 1 39 ARG QD 1 39 ARG QG 1.800 . 5.500 2.021 2.000 2.051 . 0 0 "[ . 1]" 2
506 1 39 ARG HE 1 40 ALA MB 1.800 . 5.600 4.390 3.812 4.686 . 0 0 "[ . 1]" 2
507 1 40 ALA H 1 40 ALA MB 1.800 . 3.920 2.398 2.039 2.885 . 0 0 "[ . 1]" 2
508 1 40 ALA HA 1 41 LYS H 1.800 . 2.400 2.271 2.142 2.449 0.049 7 0 "[ . 1]" 2
509 1 40 ALA MB 1 41 LYS H 1.800 . 4.200 2.811 2.343 3.194 . 0 0 "[ . 1]" 2
510 1 40 ALA MB 1 44 ASN HD21 1.800 . 5.260 3.223 1.982 4.204 . 0 0 "[ . 1]" 2
511 1 40 ALA MB 1 44 ASN HD22 1.800 . 5.040 3.587 2.685 4.213 . 0 0 "[ . 1]" 2
512 1 41 LYS H 1 41 LYS HB2 1.800 . 2.990 2.353 2.131 2.548 . 0 0 "[ . 1]" 2
513 1 41 LYS H 1 41 LYS QD 1.800 . 5.160 4.102 3.058 4.641 . 0 0 "[ . 1]" 2
514 1 41 LYS HA 1 41 LYS QD 1.800 . 3.830 2.251 1.809 2.944 . 0 0 "[ . 1]" 2
515 1 41 LYS HA 1 42 ARG H 1.800 . 2.960 2.693 2.455 2.785 . 0 0 "[ . 1]" 2
516 1 41 LYS HB2 1 42 ARG H 1.800 . 3.700 3.431 3.236 3.647 . 0 0 "[ . 1]" 2
517 1 41 LYS HB3 1 41 LYS QD 1.800 . 4.110 2.520 2.201 3.337 . 0 0 "[ . 1]" 2
518 1 41 LYS HB3 1 42 ARG H 1.800 . 2.800 1.931 1.795 2.272 0.005 2 0 "[ . 1]" 2
519 1 41 LYS HB3 1 43 ASN H 1.800 . 3.890 2.644 2.440 2.899 . 0 0 "[ . 1]" 2
520 1 41 LYS QD 1 41 LYS QE 1.800 . 5.320 2.037 2.012 2.085 . 0 0 "[ . 1]" 2
521 1 42 ARG H 1 42 ARG HB2 1.800 . 2.830 2.481 2.347 2.709 . 0 0 "[ . 1]" 2
522 1 42 ARG H 1 42 ARG HB3 1.800 . 3.980 3.615 3.574 3.669 . 0 0 "[ . 1]" 2
523 1 42 ARG H 1 42 ARG QG 1.800 . 3.580 2.568 2.078 3.229 . 0 0 "[ . 1]" 2
524 1 42 ARG H 1 43 ASN H 1.800 . 3.140 2.478 2.254 2.822 . 0 0 "[ . 1]" 2
525 1 42 ARG HA 1 42 ARG HB2 1.800 . 3.050 3.021 3.007 3.031 . 0 0 "[ . 1]" 2
526 1 42 ARG HA 1 42 ARG HB3 1.800 . 2.800 2.479 2.354 2.584 . 0 0 "[ . 1]" 2
527 1 42 ARG HA 1 42 ARG QG 1.800 . 2.960 2.389 2.259 2.595 . 0 0 "[ . 1]" 2
528 1 42 ARG HA 1 42 ARG QD 1.800 . 6.380 3.785 3.300 4.086 . 0 0 "[ . 1]" 2
529 1 42 ARG HA 1 42 ARG HE 1.800 . 5.220 4.920 4.115 5.244 0.024 3 0 "[ . 1]" 2
530 1 42 ARG HA 1 43 ASN H 1.800 . 3.950 3.536 3.510 3.555 . 0 0 "[ . 1]" 2
531 1 42 ARG HB2 1 42 ARG HE 1.800 . 4.140 3.131 2.627 3.681 . 0 0 "[ . 1]" 2
532 1 42 ARG HB2 1 43 ASN H 1.800 . 5.500 2.733 2.611 2.857 . 0 0 "[ . 1]" 2
533 1 42 ARG HB3 1 42 ARG QD 1.800 . 6.380 2.519 1.977 3.339 . 0 0 "[ . 1]" 2
534 1 42 ARG HB3 1 42 ARG HE 1.800 . 5.500 3.943 3.032 4.696 . 0 0 "[ . 1]" 2
535 1 42 ARG HB3 1 43 ASN H 1.800 . 5.190 3.734 3.502 3.973 . 0 0 "[ . 1]" 2
536 1 43 ASN H 1 43 ASN HB2 1.800 . 2.830 2.434 2.331 2.561 . 0 0 "[ . 1]" 2
537 1 43 ASN H 1 43 ASN HB3 1.800 . 2.900 2.852 2.728 2.914 0.014 10 0 "[ . 1]" 2
538 1 43 ASN HA 1 43 ASN HB2 1.800 . 2.990 2.648 2.581 2.685 . 0 0 "[ . 1]" 2
539 1 43 ASN HA 1 43 ASN HB3 1.800 . 3.140 2.984 2.967 3.009 . 0 0 "[ . 1]" 2
540 1 43 ASN HA 1 44 ASN H 1.800 . 2.400 2.479 2.448 2.537 0.137 9 0 "[ . 1]" 2
541 1 43 ASN HA 1 45 PHE QD 1.800 . 7.340 4.668 4.257 5.050 . 0 0 "[ . 1]" 2
542 1 43 ASN HA 1 45 PHE HZ 1.800 . 5.410 3.658 3.224 4.029 . 0 0 "[ . 1]" 2
543 1 43 ASN HB3 1 43 ASN HD21 1.800 . 3.420 3.037 2.461 3.517 0.097 9 0 "[ . 1]" 2
544 1 43 ASN HB3 1 43 ASN HD22 1.800 . 4.200 3.843 3.572 4.079 . 0 0 "[ . 1]" 2
545 1 44 ASN H 1 44 ASN QB 1.800 . 3.170 2.773 2.673 2.954 . 0 0 "[ . 1]" 2
546 1 44 ASN H 1 44 ASN HD22 1.800 . 5.500 5.522 5.367 5.611 0.111 9 0 "[ . 1]" 2
547 1 44 ASN HA 1 45 PHE H 1.800 . 2.490 2.275 2.147 2.392 . 0 0 "[ . 1]" 2
548 1 44 ASN QB 1 44 ASN HD21 1.800 . 2.860 2.118 2.066 2.241 . 0 0 "[ . 1]" 2
549 1 45 PHE H 1 45 PHE HB2 1.800 . 2.710 2.702 2.612 2.757 0.047 8 0 "[ . 1]" 2
550 1 45 PHE H 1 45 PHE HB3 1.800 . 3.980 3.675 3.643 3.763 . 0 0 "[ . 1]" 2
551 1 45 PHE H 1 45 PHE QD 1.800 . 5.920 2.467 2.126 2.916 . 0 0 "[ . 1]" 2
552 1 45 PHE HA 1 45 PHE HB3 1.800 . 2.800 2.369 2.340 2.398 . 0 0 "[ . 1]" 2
553 1 45 PHE HA 1 45 PHE QD 1.800 . 6.350 2.862 2.618 3.030 . 0 0 "[ . 1]" 2
554 1 45 PHE HA 1 46 LYS H 1.800 . 2.620 2.383 2.329 2.459 . 0 0 "[ . 1]" 2
555 1 45 PHE HA 1 47 SER H 1.800 . 4.350 4.019 3.908 4.182 . 0 0 "[ . 1]" 2
556 1 45 PHE HB2 1 46 LYS H 1.800 . 3.730 3.410 3.242 3.587 . 0 0 "[ . 1]" 2
557 1 45 PHE HB2 1 47 SER H 1.800 . 2.930 2.969 2.938 3.000 0.070 7 0 "[ . 1]" 2
558 1 45 PHE HB3 1 46 LYS H 1.800 . 3.360 2.540 2.355 2.662 . 0 0 "[ . 1]" 2
559 1 45 PHE HB3 1 47 SER H 1.800 . 2.740 2.738 2.581 2.778 0.038 9 0 "[ . 1]" 2
560 1 45 PHE HB3 1 51 CYS H 1.800 . 3.790 3.357 3.193 3.503 . 0 0 "[ . 1]" 2
561 1 45 PHE QD 1 50 ASP QB 1.800 . 7.620 2.482 2.341 2.569 . 0 0 "[ . 1]" 2
562 1 45 PHE HZ 1 51 CYS HA 1.800 . 5.500 3.596 3.477 3.705 . 0 0 "[ . 1]" 2
563 1 45 PHE HZ 1 54 THR HB 1.800 . 4.040 2.421 2.214 2.666 . 0 0 "[ . 1]" 2
564 1 45 PHE HZ 1 54 THR MG 1.800 . 4.110 2.116 1.853 2.764 . 0 0 "[ . 1]" 2
565 1 46 LYS H 1 46 LYS HA 1.800 . 2.990 2.907 2.880 2.944 . 0 0 "[ . 1]" 2
566 1 46 LYS H 1 46 LYS QB 1.800 . 2.740 2.229 2.115 2.391 . 0 0 "[ . 1]" 2
567 1 46 LYS H 1 46 LYS QG 1.800 . 4.200 3.287 2.809 3.761 . 0 0 "[ . 1]" 2
568 1 46 LYS H 1 47 SER H 1.800 . 2.770 2.297 2.104 2.437 . 0 0 "[ . 1]" 2
569 1 46 LYS H 1 50 ASP QB 1.800 . 4.910 3.092 2.686 3.438 . 0 0 "[ . 1]" 2
570 1 46 LYS HA 1 46 LYS QG 1.800 . 5.220 2.222 2.042 2.404 . 0 0 "[ . 1]" 2
571 1 46 LYS HA 1 46 LYS QE 1.800 . 6.380 3.982 2.667 4.713 . 0 0 "[ . 1]" 2
572 1 46 LYS HA 1 47 SER H 1.800 . 3.760 3.405 3.323 3.463 . 0 0 "[ . 1]" 2
573 1 46 LYS QB 1 47 SER H 1.800 . 4.010 3.146 2.999 3.324 . 0 0 "[ . 1]" 2
574 1 46 LYS QG 1 47 SER H 1.800 . 5.100 4.511 4.426 4.603 . 0 0 "[ . 1]" 2
575 1 46 LYS QE 1 46 LYS QZ 1.800 . 7.320 1.860 1.843 1.874 . 0 0 "[ . 1]" 2
576 1 47 SER H 1 47 SER HB3 1.800 . 3.760 3.783 3.758 3.812 0.052 1 0 "[ . 1]" 2
577 1 47 SER H 1 50 ASP H 1.800 . 5.440 3.717 3.426 4.076 . 0 0 "[ . 1]" 2
578 1 47 SER HA 1 47 SER HB3 1.800 . 2.680 2.242 2.237 2.262 . 0 0 "[ . 1]" 2
579 1 47 SER HA 1 48 ALA H 1.800 . 2.830 2.293 2.245 2.411 . 0 0 "[ . 1]" 2
580 1 47 SER HA 1 48 ALA MB 1.800 . 6.530 4.044 3.984 4.119 . 0 0 "[ . 1]" 2
581 1 47 SER HA 1 49 GLU H 1.800 . 5.000 4.032 3.995 4.070 . 0 0 "[ . 1]" 2
582 1 47 SER HB2 1 48 ALA H 1.800 . 3.270 2.831 2.497 2.943 . 0 0 "[ . 1]" 2
583 1 47 SER HB2 1 49 GLU H 1.800 . 3.640 2.255 2.158 2.388 . 0 0 "[ . 1]" 2
584 1 47 SER HB2 1 50 ASP H 1.800 . 3.700 2.884 2.464 3.511 . 0 0 "[ . 1]" 2
585 1 47 SER HB3 1 48 ALA H 1.800 . 3.300 3.320 3.262 3.353 0.053 3 0 "[ . 1]" 2
586 1 47 SER HB3 1 49 GLU H 1.800 . 3.830 3.844 3.797 3.891 0.061 9 0 "[ . 1]" 2
587 1 47 SER HB3 1 50 ASP H 1.800 . 5.040 4.446 4.147 4.819 . 0 0 "[ . 1]" 2
588 1 48 ALA H 1 48 ALA MB 1.800 . 3.830 2.103 2.024 2.225 . 0 0 "[ . 1]" 2
589 1 48 ALA H 1 49 GLU H 1.800 . 2.830 2.660 2.592 2.694 . 0 0 "[ . 1]" 2
590 1 48 ALA HA 1 49 GLU H 1.800 . 5.000 3.489 3.470 3.500 . 0 0 "[ . 1]" 2
591 1 48 ALA HA 1 51 CYS H 1.800 . 3.480 3.409 3.291 3.478 . 0 0 "[ . 1]" 2
592 1 48 ALA HA 1 52 LEU H 1.800 . 4.790 3.930 3.721 4.185 . 0 0 "[ . 1]" 2
593 1 48 ALA MB 1 49 GLU H 1.800 . 4.670 2.841 2.779 2.963 . 0 0 "[ . 1]" 2
594 1 48 ALA MB 1 49 GLU HA 1.800 . 6.530 3.811 3.750 3.902 . 0 0 "[ . 1]" 2
595 1 49 GLU H 1 49 GLU HA 1.800 . 3.110 2.833 2.818 2.845 . 0 0 "[ . 1]" 2
596 1 49 GLU H 1 49 GLU QB 1.800 . 2.900 2.234 2.064 2.596 . 0 0 "[ . 1]" 2
597 1 49 GLU H 1 49 GLU QG 1.800 . 5.500 3.136 1.924 3.950 . 0 0 "[ . 1]" 2
598 1 49 GLU H 1 50 ASP H 1.800 . 3.110 2.661 2.593 2.751 . 0 0 "[ . 1]" 2
599 1 49 GLU HA 1 50 ASP H 1.800 . 4.040 3.557 3.545 3.569 . 0 0 "[ . 1]" 2
600 1 49 GLU HA 1 52 LEU H 1.800 . 3.550 3.596 3.581 3.617 0.067 9 0 "[ . 1]" 2
601 1 49 GLU HA 1 52 LEU QB 1.800 . 3.520 2.858 2.595 3.077 . 0 0 "[ . 1]" 2
602 1 49 GLU HA 1 52 LEU HG 1.800 . 4.420 3.968 3.625 4.206 . 0 0 "[ . 1]" 2
603 1 49 GLU HA 1 52 LEU MD1 1.800 . 5.690 3.102 2.726 3.559 . 0 0 "[ . 1]" 2
604 1 49 GLU QB 1 50 ASP H 1.800 . 3.580 2.607 2.386 3.206 . 0 0 "[ . 1]" 2
605 1 50 ASP H 1 50 ASP HA 1.800 . 3.080 2.809 2.790 2.830 . 0 0 "[ . 1]" 2
606 1 50 ASP H 1 50 ASP QB 1.800 . 2.740 2.192 2.068 2.367 . 0 0 "[ . 1]" 2
607 1 50 ASP H 1 51 CYS H 1.800 . 2.650 2.613 2.545 2.657 0.007 10 0 "[ . 1]" 2
608 1 50 ASP HA 1 51 CYS H 1.800 . 3.790 3.512 3.501 3.525 . 0 0 "[ . 1]" 2
609 1 50 ASP HA 1 53 ARG H 1.800 . 3.610 3.466 3.368 3.571 . 0 0 "[ . 1]" 2
610 1 50 ASP HA 1 53 ARG QG 1.800 . 5.500 3.826 2.936 4.269 . 0 0 "[ . 1]" 2
611 1 50 ASP HA 1 54 THR H 1.800 . 4.970 4.284 4.203 4.337 . 0 0 "[ . 1]" 2
612 1 51 CYS H 1 51 CYS HB2 1.800 . 2.650 2.194 2.150 2.449 . 0 0 "[ . 1]" 2
613 1 51 CYS H 1 51 CYS HB3 1.800 . 2.830 2.846 2.593 2.887 0.057 7 0 "[ . 1]" 2
614 1 51 CYS H 1 52 LEU H 1.800 . 2.990 2.878 2.814 2.954 . 0 0 "[ . 1]" 2
615 1 51 CYS H 1 52 LEU HG 1.800 . 5.500 4.808 4.570 4.948 . 0 0 "[ . 1]" 2
616 1 51 CYS H 1 53 ARG H 1.800 . 4.140 3.763 3.719 3.843 . 0 0 "[ . 1]" 2
617 1 51 CYS HA 1 51 CYS HB2 1.800 . 2.770 2.647 2.504 2.672 . 0 0 "[ . 1]" 2
618 1 51 CYS HA 1 52 LEU H 1.800 . 4.380 3.556 3.523 3.565 . 0 0 "[ . 1]" 2
619 1 51 CYS HA 1 54 THR H 1.800 . 3.300 3.359 3.329 3.395 0.095 1 0 "[ . 1]" 2
620 1 51 CYS HA 1 55 CYS H 1.800 . 3.830 3.721 3.484 3.868 0.038 7 0 "[ . 1]" 2
621 1 51 CYS HB2 1 52 LEU H 1.800 . 3.140 3.237 3.211 3.352 0.212 8 0 "[ . 1]" 2
622 1 51 CYS HB3 1 52 LEU H 1.800 . 2.830 1.977 1.808 2.067 . 0 0 "[ . 1]" 2
623 1 52 LEU H 1 52 LEU QB 1.800 . 3.360 2.463 2.370 2.569 . 0 0 "[ . 1]" 2
624 1 52 LEU H 1 52 LEU HG 1.800 . 2.770 2.256 2.037 2.435 . 0 0 "[ . 1]" 2
625 1 52 LEU H 1 52 LEU MD1 1.800 . 6.530 3.551 3.125 3.736 . 0 0 "[ . 1]" 2
626 1 52 LEU H 1 52 LEU MD2 1.800 . 6.400 3.354 2.840 3.628 . 0 0 "[ . 1]" 2
627 1 52 LEU H 1 53 ARG H 1.800 . 3.110 2.714 2.654 2.820 . 0 0 "[ . 1]" 2
628 1 52 LEU HA 1 52 LEU MD1 1.800 . 5.880 3.861 3.794 3.929 . 0 0 "[ . 1]" 2
629 1 52 LEU HA 1 52 LEU MD2 1.800 . 4.330 2.066 1.839 2.581 . 0 0 "[ . 1]" 2
630 1 52 LEU HA 1 53 ARG H 1.800 . 4.320 3.492 3.477 3.505 . 0 0 "[ . 1]" 2
631 1 52 LEU HA 1 55 CYS H 1.800 . 3.580 3.601 3.511 3.637 0.057 9 0 "[ . 1]" 2
632 1 52 LEU HA 1 56 GLY H 1.800 . 3.140 2.776 2.427 3.095 . 0 0 "[ . 1]" 2
633 1 52 LEU QB 1 52 LEU MD1 1.800 . 5.570 2.062 2.009 2.100 . 0 0 "[ . 1]" 2
634 1 52 LEU QB 1 52 LEU MD2 1.800 . 4.610 2.268 2.010 2.411 . 0 0 "[ . 1]" 2
635 1 52 LEU QB 1 53 ARG H 1.800 . 3.890 2.752 2.669 2.841 . 0 0 "[ . 1]" 2
636 1 52 LEU MD1 1 56 GLY QA 1.800 . 6.530 4.303 3.881 4.839 . 0 0 "[ . 1]" 2
637 1 52 LEU MD2 1 56 GLY QA 1.800 . 6.530 2.510 1.936 3.892 . 0 0 "[ . 1]" 2
638 1 53 ARG H 1 53 ARG QB 1.800 . 3.450 2.180 2.093 2.263 . 0 0 "[ . 1]" 2
639 1 53 ARG H 1 54 THR H 1.800 . 2.830 2.499 2.454 2.553 . 0 0 "[ . 1]" 2
640 1 53 ARG HA 1 56 GLY H 1.800 . 4.230 4.230 4.137 4.275 0.045 4 0 "[ . 1]" 2
641 1 53 ARG QB 1 53 ARG QD 1.800 . 6.380 2.076 1.928 2.163 . 0 0 "[ . 1]" 2
642 1 53 ARG QB 1 54 THR H 1.800 . 3.270 2.867 2.752 2.914 . 0 0 "[ . 1]" 2
643 1 53 ARG QD 1 53 ARG QG 1.800 . 5.850 2.049 2.027 2.091 . 0 0 "[ . 1]" 2
644 1 54 THR H 1 54 THR HA 1.800 . 3.140 2.911 2.893 2.930 . 0 0 "[ . 1]" 2
645 1 54 THR H 1 54 THR HB 1.800 . 2.770 2.533 2.385 2.694 . 0 0 "[ . 1]" 2
646 1 54 THR H 1 55 CYS H 1.800 . 2.650 2.536 2.380 2.676 0.026 4 0 "[ . 1]" 2
647 1 54 THR H 1 56 GLY H 1.800 . 4.760 3.499 3.279 3.686 . 0 0 "[ . 1]" 2
648 1 54 THR HA 1 54 THR MG 1.800 . 4.020 2.348 2.208 2.457 . 0 0 "[ . 1]" 2
649 1 54 THR HA 1 55 CYS H 1.800 . 4.690 3.595 3.583 3.610 . 0 0 "[ . 1]" 2
650 1 54 THR HB 1 55 CYS H 1.800 . 2.710 2.380 2.229 2.529 . 0 0 "[ . 1]" 2
651 1 54 THR MG 1 55 CYS H 1.800 . 5.630 3.368 2.978 3.679 . 0 0 "[ . 1]" 2
652 1 55 CYS H 1 55 CYS QB 1.800 . 2.620 2.405 2.346 2.480 . 0 0 "[ . 1]" 2
653 1 55 CYS H 1 56 GLY H 1.800 . 2.590 2.401 2.122 2.590 . 0 0 "[ . 1]" 2
654 1 55 CYS HA 1 56 GLY H 1.800 . 4.420 3.130 2.896 3.402 . 0 0 "[ . 1]" 2
655 1 55 CYS QB 1 56 GLY H 1.800 . 4.720 3.569 3.229 3.830 . 0 0 "[ . 1]" 2
656 1 56 GLY H 1 56 GLY QA 1.800 . 2.650 2.262 2.209 2.375 . 0 0 "[ . 1]" 2
657 1 56 GLY H 1 57 GLY H 1.800 . 3.640 3.121 2.310 3.677 0.037 8 0 "[ . 1]" 2
658 1 56 GLY QA 1 57 GLY H 1.800 . 3.110 2.363 2.104 2.809 . 0 0 "[ . 1]" 2
659 1 57 GLY QA 1 58 ALA H 1.800 . 2.710 2.212 2.114 2.301 . 0 0 "[ . 1]" 2
660 1 58 ALA H 1 58 ALA MB 1.800 . 4.020 2.583 2.246 2.888 . 0 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 48
_Distance_constraint_stats_list.Viol_count 146
_Distance_constraint_stats_list.Viol_total 102.946
_Distance_constraint_stats_list.Viol_max 1.900
_Distance_constraint_stats_list.Viol_rms 0.1501
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0214
_Distance_constraint_stats_list.Viol_average_violations_only 0.0705
_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 2 PRO 0.349 0.051 6 0 "[ . 1]"
1 3 ASP 0.009 0.009 5 0 "[ . 1]"
1 4 PHE 0.098 0.044 8 0 "[ . 1]"
1 5 CYS 0.349 0.051 6 0 "[ . 1]"
1 6 LEU 0.009 0.009 5 0 "[ . 1]"
1 7 GLU 6.663 1.900 10 2 "[ - . +]"
1 11 THR 0.000 0.000 . 0 "[ . 1]"
1 18 ILE 0.780 0.129 2 0 "[ . 1]"
1 20 ARG 0.733 0.064 10 0 "[ . 1]"
1 21 TYR 0.121 0.032 7 0 "[ . 1]"
1 22 PHE 0.079 0.035 5 0 "[ . 1]"
1 23 TYR 0.085 0.052 2 0 "[ . 1]"
1 24 ASN 0.419 0.042 3 0 "[ . 1]"
1 26 LYS 0.215 0.042 3 0 "[ . 1]"
1 27 ALA 0.119 0.028 3 0 "[ . 1]"
1 28 GLY 0.000 0.000 . 0 "[ . 1]"
1 29 LEU 0.085 0.029 8 0 "[ . 1]"
1 31 GLN 0.079 0.035 5 0 "[ . 1]"
1 33 PHE 0.733 0.064 10 0 "[ . 1]"
1 35 TYR 0.780 0.129 2 0 "[ . 1]"
1 36 GLY 0.000 0.000 . 0 "[ . 1]"
1 42 ARG 0.059 0.023 2 0 "[ . 1]"
1 43 ASN 6.650 1.900 10 2 "[ - . +]"
1 44 ASN 0.059 0.023 2 0 "[ . 1]"
1 45 PHE 0.121 0.032 7 0 "[ . 1]"
1 47 SER 0.363 0.068 7 0 "[ . 1]"
1 48 ALA 0.032 0.019 1 0 "[ . 1]"
1 49 GLU 0.022 0.015 4 0 "[ . 1]"
1 50 ASP 0.151 0.039 4 0 "[ . 1]"
1 51 CYS 0.363 0.068 7 0 "[ . 1]"
1 52 LEU 0.461 0.059 4 0 "[ . 1]"
1 53 ARG 0.022 0.015 4 0 "[ . 1]"
1 54 THR 0.151 0.039 4 0 "[ . 1]"
1 56 GLY 0.430 0.059 4 0 "[ . 1]"
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 2 PRO O 1 5 CYS N 2.700 2.700 3.100 2.934 2.864 3.006 . 0 0 "[ . 1]" 3
2 1 2 PRO O 1 5 CYS H 1.800 . 2.100 2.135 2.124 2.151 0.051 6 0 "[ . 1]" 3
3 1 3 ASP O 1 6 LEU N 2.700 2.700 3.100 2.864 2.748 2.983 . 0 0 "[ . 1]" 3
4 1 3 ASP O 1 6 LEU H 1.800 . 2.100 1.915 1.791 2.072 0.009 5 0 "[ . 1]" 3
5 1 4 PHE O 1 7 GLU N 2.700 2.700 3.100 2.789 2.693 2.867 0.007 4 0 "[ . 1]" 3
6 1 4 PHE O 1 7 GLU H 1.800 . 2.100 2.048 1.844 2.144 0.044 8 0 "[ . 1]" 3
7 1 18 ILE N 1 35 TYR O 2.700 2.700 3.100 2.689 2.650 2.731 0.050 5 0 "[ . 1]" 3
8 1 18 ILE H 1 35 TYR O 1.800 . 2.100 1.844 1.744 2.032 0.056 10 0 "[ . 1]" 3
9 1 20 ARG N 1 33 PHE O 2.700 2.700 3.100 2.966 2.912 3.028 . 0 0 "[ . 1]" 3
10 1 20 ARG H 1 33 PHE O 1.800 . 2.100 2.142 2.120 2.164 0.064 10 0 "[ . 1]" 3
11 1 21 TYR N 1 45 PHE O 2.700 2.700 3.100 2.865 2.728 3.054 . 0 0 "[ . 1]" 3
12 1 21 TYR H 1 45 PHE O 1.800 . 2.100 1.965 1.796 2.132 0.032 7 0 "[ . 1]" 3
13 1 22 PHE N 1 31 GLN O 2.700 2.700 3.100 2.761 2.685 2.835 0.015 5 0 "[ . 1]" 3
14 1 22 PHE H 1 31 GLN O 1.800 . 2.100 1.880 1.765 1.952 0.035 5 0 "[ . 1]" 3
15 1 24 ASN N 1 29 LEU O 2.700 2.700 3.100 2.909 2.821 2.977 . 0 0 "[ . 1]" 3
16 1 24 ASN H 1 29 LEU O 1.800 . 2.100 2.082 2.001 2.129 0.029 8 0 "[ . 1]" 3
17 1 22 PHE O 1 31 GLN N 2.700 2.700 3.100 2.815 2.715 2.901 . 0 0 "[ . 1]" 3
18 1 22 PHE O 1 31 GLN H 1.800 . 2.100 2.035 1.935 2.109 0.009 9 0 "[ . 1]" 3
19 1 20 ARG O 1 33 PHE N 2.700 2.700 3.100 2.946 2.903 2.994 . 0 0 "[ . 1]" 3
20 1 20 ARG O 1 33 PHE H 1.800 . 2.100 2.131 2.110 2.159 0.059 3 0 "[ . 1]" 3
21 1 18 ILE O 1 35 TYR N 2.700 2.700 3.100 2.678 2.571 2.842 0.129 2 0 "[ . 1]" 3
22 1 18 ILE O 1 35 TYR H 1.800 . 2.100 1.958 1.867 2.107 0.007 6 0 "[ . 1]" 3
23 1 21 TYR O 1 45 PHE N 2.700 2.700 3.100 2.836 2.706 3.029 . 0 0 "[ . 1]" 3
24 1 21 TYR O 1 45 PHE H 1.800 . 2.100 1.911 1.768 2.091 0.032 2 0 "[ . 1]" 3
25 1 47 SER O 1 51 CYS N 2.700 2.700 3.100 3.072 3.045 3.103 0.003 7 0 "[ . 1]" 3
26 1 47 SER O 1 51 CYS H 1.800 . 2.100 2.135 2.095 2.168 0.068 7 0 "[ . 1]" 3
27 1 48 ALA O 1 52 LEU N 2.700 2.700 3.100 2.910 2.780 3.097 . 0 0 "[ . 1]" 3
28 1 48 ALA O 1 52 LEU H 1.800 . 2.100 1.932 1.797 2.119 0.019 1 0 "[ . 1]" 3
29 1 49 GLU O 1 53 ARG N 2.700 2.700 3.100 2.717 2.685 2.762 0.015 4 0 "[ . 1]" 3
30 1 49 GLU O 1 53 ARG H 1.800 . 2.100 1.880 1.828 1.927 . 0 0 "[ . 1]" 3
31 1 50 ASP O 1 54 THR N 2.700 2.700 3.100 2.805 2.698 2.881 0.002 1 0 "[ . 1]" 3
32 1 50 ASP O 1 54 THR H 1.800 . 2.100 2.102 2.019 2.139 0.039 4 0 "[ . 1]" 3
33 1 52 LEU O 1 56 GLY N 2.700 2.700 3.100 2.661 2.641 2.677 0.059 4 0 "[ . 1]" 3
34 1 52 LEU O 1 56 GLY H 1.800 . 2.100 2.032 1.918 2.116 0.016 8 0 "[ . 1]" 3
35 1 23 TYR N 1 43 ASN OD1 2.700 2.700 3.300 2.956 2.696 3.264 0.004 7 0 "[ . 1]" 3
36 1 23 TYR H 1 43 ASN OD1 1.800 . 2.300 2.072 1.794 2.352 0.052 2 0 "[ . 1]" 3
37 1 24 ASN OD1 1 26 LYS N 2.700 2.700 3.300 2.713 2.658 2.864 0.042 3 0 "[ . 1]" 3
38 1 24 ASN OD1 1 26 LYS H 1.800 . 2.300 1.903 1.807 2.071 . 0 0 "[ . 1]" 3
39 1 24 ASN OD1 1 27 ALA N 2.700 2.700 3.300 2.936 2.683 3.227 0.017 7 0 "[ . 1]" 3
40 1 24 ASN OD1 1 27 ALA H 1.800 . 2.300 2.084 1.824 2.328 0.028 3 0 "[ . 1]" 3
41 1 24 ASN O 1 28 GLY N 2.700 2.700 3.300 2.815 2.716 2.879 . 0 0 "[ . 1]" 3
42 1 24 ASN O 1 28 GLY H 1.800 . 2.300 2.182 2.072 2.259 . 0 0 "[ . 1]" 3
43 1 11 THR O 1 36 GLY N 2.700 2.700 3.300 3.003 2.883 3.204 . 0 0 "[ . 1]" 3
44 1 11 THR O 1 36 GLY H 1.800 . 2.300 2.166 2.005 2.285 . 0 0 "[ . 1]" 3
45 1 7 GLU OE1 1 43 ASN N 2.700 2.700 3.300 3.460 2.965 5.107 1.807 10 2 "[ - . +]" 3
46 1 7 GLU OE1 1 43 ASN H 1.800 . 2.300 2.578 2.055 4.200 1.900 10 2 "[ - . +]" 3
47 1 42 ARG O 1 44 ASN N 2.700 2.700 3.300 3.048 2.793 3.153 . 0 0 "[ . 1]" 3
48 1 42 ARG O 1 44 ASN H 1.800 . 2.300 2.204 1.918 2.323 0.023 2 0 "[ . 1]" 3
stop_
save_
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