NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369530 |
1bbo   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bbo
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 143
_Distance_constraint_stats_list.Viol_count 885
_Distance_constraint_stats_list.Viol_total 5767.368
_Distance_constraint_stats_list.Viol_max 0.247
_Distance_constraint_stats_list.Viol_rms 0.0388
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0112
_Distance_constraint_stats_list.Viol_average_violations_only 0.1086
_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 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 2 TYR 1.487 0.074 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 3 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 4 CYS 7.662 0.176 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 5 GLU 7.988 0.168 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 6 GLU 15.152 0.247 14 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 7 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 9 ILE 7.267 0.164 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 10 ARG 3.737 0.128 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 11 ABA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 12 LYS 6.301 0.171 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 14 PRO 7.729 0.201 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 16 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 17 LEU 3.144 0.100 36 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 18 LYS 8.129 0.201 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 19 LYS 9.932 0.190 1 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 20 HIS 12.390 0.220 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 21 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 22 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 23 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 24 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 25 THR 5.207 0.133 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 26 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 27 VAL 7.727 0.171 2 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
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 LYS HA 1 1 LYS QB 2.500 . 3.700 2.374 2.205 2.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
2 1 1 LYS HA 1 1 LYS QD 4.000 . 7.000 3.685 2.224 4.540 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
3 1 2 TYR H 1 2 TYR HD2 4.000 . 5.000 2.862 2.354 3.449 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
4 1 2 TYR H 1 2 TYR QB 3.000 . 3.500 2.586 2.410 2.867 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
5 1 2 TYR HA 1 2 TYR HD1 2.500 . 2.700 2.720 2.642 2.774 0.074 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
6 1 2 TYR HA 1 2 TYR QB . . 2.700 2.388 2.366 2.406 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
7 1 2 TYR QB 1 2 TYR HD2 2.500 . 2.700 2.355 2.327 2.367 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
8 1 2 TYR QB 1 2 TYR HD1 2.500 . 2.700 2.502 2.474 2.550 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
9 1 3 ILE H 1 3 ILE HA 3.000 . 3.500 2.988 2.962 2.996 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
10 1 3 ILE H 1 3 ILE HB 3.000 . 3.500 2.674 2.309 2.908 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
11 1 3 ILE H 1 3 ILE MG 3.000 . 5.000 3.867 3.679 3.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
12 1 3 ILE H 1 3 ILE QG 4.000 . 6.000 2.730 2.130 3.672 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
13 1 3 ILE H 1 3 ILE MD 4.000 . 7.500 3.286 1.791 4.193 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
14 1 3 ILE HA 1 3 ILE HB 3.000 . 3.300 3.050 3.035 3.065 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
15 1 3 ILE HA 1 3 ILE MG 3.000 . 4.400 2.325 2.209 2.485 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
16 1 3 ILE HA 1 3 ILE MD 4.000 . 6.500 3.639 2.126 3.869 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
17 1 4 CYS H 1 4 CYS HA 2.500 . 2.700 2.814 2.771 2.876 0.176 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
18 1 4 CYS H 1 4 CYS HB3 2.500 . 2.700 2.426 2.336 2.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
19 1 4 CYS H 1 4 CYS HB2 2.500 . 2.700 2.689 2.546 2.767 0.067 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
20 1 4 CYS HA 1 4 CYS HB2 2.500 . 2.700 2.405 2.354 2.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
21 1 5 GLU H 1 5 GLU HA 2.500 . 2.700 2.833 2.799 2.868 0.168 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
22 1 5 GLU H 1 5 GLU HB3 4.000 . 5.000 3.574 3.541 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
23 1 5 GLU H 1 5 GLU HB2 2.500 . 2.700 2.423 2.251 2.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
24 1 5 GLU H 1 5 GLU QG 4.000 . 6.000 2.336 1.835 3.317 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
25 1 5 GLU HA 1 5 GLU HB3 2.500 . 2.700 2.558 2.413 2.640 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
26 1 6 GLU H 1 6 GLU HA 2.500 . 2.700 2.920 2.897 2.947 0.247 14 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
27 1 6 GLU H 1 6 GLU HB2 2.500 . 2.700 2.475 2.317 2.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
28 1 6 GLU H 1 6 GLU HB3 2.500 . 2.700 2.720 2.610 2.810 0.110 36 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
29 1 6 GLU H 1 6 GLU QG 3.000 . 4.500 4.015 3.920 4.093 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
30 1 6 GLU HA 1 6 GLU HB2 3.000 . 3.500 2.621 2.555 2.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
31 1 6 GLU HA 1 6 GLU QG 3.000 . 3.900 2.359 2.233 2.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
32 1 7 CYS H 1 7 CYS HA 3.000 . 3.500 2.910 2.882 2.933 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
33 1 7 CYS H 1 7 CYS HB3 4.000 . 5.000 3.613 3.582 3.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
34 1 7 CYS H 1 7 CYS HB2 3.000 . 3.500 2.727 2.556 2.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
35 1 7 CYS HA 1 7 CYS HB3 2.500 . 2.700 2.385 2.330 2.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
36 1 9 ILE H 1 9 ILE HA 2.500 . 2.700 2.821 2.775 2.864 0.164 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
37 1 9 ILE H 1 9 ILE HB 2.500 . 2.700 2.288 2.227 2.328 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
38 1 9 ILE H 1 9 ILE MG 3.000 . 5.000 2.545 2.360 2.688 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
39 1 9 ILE H 1 9 ILE QG 3.000 . 4.500 4.008 3.884 4.072 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
40 1 9 ILE H 1 9 ILE MD 4.000 . 7.500 3.817 3.501 4.234 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
41 1 9 ILE HA 1 9 ILE HB 2.500 . 2.700 2.626 2.584 2.699 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
42 1 9 ILE HA 1 9 ILE MG 3.000 . 4.400 3.193 3.169 3.202 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
43 1 9 ILE HA 1 9 ILE QG 3.000 . 3.900 2.389 2.234 2.666 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
44 1 9 ILE HA 1 9 ILE MD 4.000 . 6.500 2.645 2.158 3.735 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
45 1 10 ARG H 1 10 ARG HB2 2.500 . 2.700 2.753 2.663 2.828 0.128 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
46 1 10 ARG H 1 10 ARG HB3 2.500 . 2.700 2.603 2.481 2.786 0.086 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
47 1 10 ARG HA 1 10 ARG HB2 2.500 . 2.700 2.560 2.505 2.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
48 1 10 ARG HA 1 10 ARG QD 4.000 . 6.000 3.482 2.120 3.981 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
49 1 11 ABA HA 1 11 ABA HB2 4.000 . 5.000 2.494 2.423 2.661 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
50 1 12 LYS H 1 12 LYS HA 2.500 . 2.700 2.805 2.729 2.871 0.171 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
51 1 12 LYS H 1 12 LYS HB3 4.000 . 5.000 3.578 3.525 3.605 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
52 1 12 LYS H 1 12 LYS HB2 2.500 . 2.700 2.478 2.219 2.705 0.005 11 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
53 1 12 LYS H 1 12 LYS QG 4.000 . 6.000 2.156 1.783 3.417 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
54 1 12 LYS H 1 12 LYS QD 4.000 . 7.000 3.618 1.981 4.155 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
55 1 12 LYS HA 1 12 LYS HB3 2.500 . 2.700 2.540 2.442 2.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
56 1 12 LYS HA 1 12 LYS QD 4.000 . 6.000 3.747 2.333 4.180 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
57 1 13 LYS H 1 13 LYS HB3 4.000 . 5.000 3.710 3.583 3.829 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
58 1 13 LYS H 1 13 LYS HB2 4.000 . 5.000 2.527 2.292 2.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
59 1 13 LYS H 1 13 LYS QG 4.000 . 6.000 2.903 2.283 3.367 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
60 1 13 LYS HA 1 13 LYS HB3 2.500 . 2.700 2.575 2.419 2.647 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
61 1 13 LYS HA 1 13 LYS QG 3.000 . 3.900 2.355 2.240 2.831 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
62 1 14 PRO HA 1 14 PRO HB3 2.500 . 2.700 2.307 2.302 2.312 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
63 1 14 PRO HA 1 18 LYS HA 4.000 . 5.000 5.129 5.055 5.201 0.201 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
64 1 15 SER H 1 15 SER HB2 4.000 . 6.000 3.631 3.562 3.668 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
65 1 15 SER H 1 15 SER HB3 3.000 . 3.500 2.470 2.249 2.727 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
66 1 15 SER HA 1 15 SER HB2 2.500 . 2.700 2.530 2.409 2.666 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
67 1 15 SER HA 1 15 SER HB3 2.500 . 2.700 2.529 2.405 2.670 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
68 1 16 MET H 1 16 MET HA 3.000 . 3.500 2.887 2.863 2.912 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
69 1 16 MET H 1 16 MET HB3 4.000 . 5.000 3.550 3.535 3.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
70 1 16 MET H 1 16 MET HB2 2.500 . 2.700 2.260 2.226 2.406 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
71 1 16 MET H 1 16 MET QG 3.000 . 4.500 2.595 2.326 3.322 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
72 1 16 MET HA 1 16 MET HB3 2.500 . 2.700 2.631 2.552 2.653 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
73 1 16 MET HA 1 16 MET HB2 3.000 . 3.300 3.035 3.022 3.053 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
74 1 16 MET HA 1 16 MET QG 3.000 . 3.900 2.490 2.192 2.734 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
75 1 17 LEU H 1 17 LEU HA 3.000 . 3.500 2.867 2.827 2.897 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
76 1 17 LEU H 1 17 LEU HB3 2.500 . 2.700 2.752 2.693 2.800 0.100 36 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
77 1 17 LEU H 1 17 LEU HB2 2.500 . 2.700 2.320 2.250 2.389 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
78 1 17 LEU H 1 17 LEU HG 4.000 . 6.000 4.646 4.599 4.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
79 1 17 LEU H 1 17 LEU MD2 4.000 . 7.500 3.857 3.715 4.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
80 1 17 LEU H 1 17 LEU MD1 4.000 . 7.500 4.205 4.183 4.227 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
81 1 17 LEU HA 1 17 LEU HB2 2.500 . 2.700 2.633 2.615 2.648 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
82 1 17 LEU HA 1 17 LEU HG 4.000 . 6.000 3.728 3.693 3.796 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
83 1 17 LEU HA 1 17 LEU MD2 4.000 . 7.500 2.181 2.143 2.218 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
84 1 17 LEU HA 1 17 LEU MD1 4.000 . 6.500 2.481 2.333 2.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
85 1 18 LYS H 1 18 LYS HA 2.500 . 2.700 2.705 2.683 2.729 0.029 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
86 1 18 LYS H 1 18 LYS QB 2.500 . 3.300 2.379 2.066 2.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
87 1 18 LYS H 1 18 LYS QG 4.000 . 7.000 3.070 2.011 4.112 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
88 1 18 LYS H 1 18 LYS QD 4.000 . 6.000 4.067 3.162 4.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
89 1 18 LYS HA 1 18 LYS QB 2.500 . 3.700 2.418 2.284 2.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
90 1 18 LYS HA 1 18 LYS QD 4.000 . 6.000 3.372 2.148 4.173 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
91 1 18 LYS HA 1 21 ILE H 4.000 . 5.000 3.878 3.750 4.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
92 1 19 LYS H 1 19 LYS HA 2.500 . 2.700 2.866 2.837 2.890 0.190 1 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
93 1 19 LYS H 1 19 LYS QB 2.500 . 3.300 2.202 2.047 2.378 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
94 1 19 LYS H 1 19 LYS QG 4.000 . 6.000 3.147 2.274 4.023 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
95 1 19 LYS H 1 19 LYS QD 4.000 . 7.000 3.819 2.042 4.766 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
96 1 19 LYS HA 1 19 LYS QB 2.500 . 3.700 2.490 2.385 2.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
97 1 19 LYS HA 1 19 LYS QD 4.000 . 6.000 3.569 2.257 4.161 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
98 1 20 HIS H 1 20 HIS HA 3.000 . 3.500 2.834 2.820 2.853 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
99 1 20 HIS H 1 20 HIS HB3 2.500 . 2.700 2.508 2.475 2.557 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
100 1 20 HIS H 1 20 HIS HB2 2.500 . 2.700 2.593 2.544 2.657 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
101 1 20 HIS H 1 20 HIS HD2 4.000 . 5.000 4.914 4.865 4.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
102 1 20 HIS HA 1 20 HIS HB2 2.500 . 2.700 2.486 2.466 2.507 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
103 1 20 HIS HA 1 20 HIS HE1 4.000 . 6.000 5.153 5.100 5.234 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
104 1 20 HIS HB2 1 20 HIS HD2 4.000 . 5.000 3.959 3.952 3.966 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
105 1 20 HIS HB3 1 20 HIS HD2 2.500 . 2.700 2.906 2.887 2.920 0.220 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
106 1 21 ILE H 1 21 ILE HA 3.000 . 3.500 2.836 2.814 2.864 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
107 1 21 ILE H 1 21 ILE HB 2.500 . 2.700 2.306 2.214 2.662 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
108 1 21 ILE H 1 21 ILE MG 2.500 . 4.200 2.647 1.925 2.874 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
109 1 21 ILE H 1 21 ILE QG 3.000 . 4.500 4.065 3.996 4.085 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
110 1 21 ILE H 1 21 ILE MD 4.000 . 7.500 3.614 3.384 4.295 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
111 1 21 ILE HA 1 21 ILE HB 3.000 . 3.300 2.657 2.443 2.717 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
112 1 21 ILE HA 1 21 ILE MG 3.000 . 4.400 3.172 3.158 3.217 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
113 1 21 ILE HA 1 21 ILE MD 4.000 . 7.500 2.285 2.133 3.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
114 1 22 ARG H 1 22 ARG HB3 4.000 . 5.000 3.568 3.554 3.607 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
115 1 22 ARG H 1 22 ARG HB2 2.500 . 2.700 2.283 2.252 2.388 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
116 1 22 ARG H 1 22 ARG QG 4.000 . 6.000 2.585 2.378 2.688 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
117 1 22 ARG HA 1 22 ARG HB3 2.500 . 2.700 2.629 2.564 2.645 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
118 1 22 ARG HA 1 22 ARG QG 3.000 . 3.900 2.263 2.227 2.326 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
119 1 22 ARG HA 1 22 ARG QD 4.000 . 6.000 4.034 3.861 4.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
120 1 23 THR H 1 23 THR HA 3.000 . 3.500 2.878 2.779 2.917 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
121 1 23 THR H 1 23 THR HB 4.000 . 5.000 2.715 2.467 2.912 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
122 1 23 THR H 1 23 THR MG 3.000 . 5.000 3.743 3.646 3.798 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
123 1 23 THR HA 1 23 THR HB 3.000 . 3.300 3.075 3.055 3.088 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
124 1 23 THR HA 1 23 THR MG 2.500 . 3.800 2.231 2.175 2.327 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
125 1 24 HIS H 1 24 HIS QB 3.000 . 4.100 2.281 2.227 2.327 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
126 1 24 HIS H 1 24 HIS HD2 4.000 . 5.000 3.303 3.020 3.698 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
127 1 24 HIS HA 1 24 HIS QB 2.500 . 3.700 2.482 2.460 2.502 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
128 1 24 HIS QB 1 24 HIS HD2 2.500 . 3.700 2.670 2.643 2.706 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
129 1 25 THR H 1 25 THR HA 3.000 . 3.500 2.960 2.934 2.976 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
130 1 25 THR H 1 25 THR HB 3.000 . 3.500 3.587 3.531 3.633 0.133 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
131 1 25 THR H 1 25 THR MG 3.000 . 5.000 2.447 2.178 2.776 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
132 1 25 THR HA 1 25 THR HB 3.000 . 3.300 2.602 2.540 2.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
133 1 25 THR HA 1 25 THR MG 2.500 . 3.800 2.436 2.253 2.512 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
134 1 26 ASP H 1 26 ASP HA 3.000 . 3.500 2.928 2.905 2.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
135 1 26 ASP H 1 26 ASP HB3 4.000 . 5.000 3.898 3.822 3.984 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
136 1 26 ASP H 1 26 ASP HB2 4.000 . 5.000 2.852 2.732 2.977 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
137 1 26 ASP HA 1 26 ASP HB3 3.000 . 3.300 2.572 2.434 2.636 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
138 1 27 VAL H 1 27 VAL HA 3.000 . 3.500 2.964 2.950 2.977 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
139 1 27 VAL H 1 27 VAL HB 2.500 . 2.700 2.829 2.772 2.871 0.171 2 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
140 1 27 VAL H 1 27 VAL MG1 3.000 . 5.000 1.745 1.727 1.768 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
141 1 27 VAL H 1 27 VAL MG2 4.000 . 6.500 3.771 3.733 3.798 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
142 1 27 VAL HA 1 27 VAL MG1 3.000 . 4.400 3.214 3.198 3.222 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 1
143 1 27 VAL HA 1 27 VAL MG2 3.000 . 4.400 2.362 2.321 2.425 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 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 92
_Distance_constraint_stats_list.Viol_count 347
_Distance_constraint_stats_list.Viol_total 1547.494
_Distance_constraint_stats_list.Viol_max 0.246
_Distance_constraint_stats_list.Viol_rms 0.0242
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0743
_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 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 2 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 3 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 4 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 6 GLU 2.719 0.069 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 7 CYS 2.719 0.069 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 8 GLY 0.022 0.011 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 9 ILE 0.022 0.011 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 11 ABA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 12 LYS 0.012 0.007 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 13 LYS 0.012 0.007 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 16 MET 1.283 0.058 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 17 LEU 3.268 0.094 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 18 LYS 1.984 0.094 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 20 HIS 7.135 0.153 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 21 ILE 7.597 0.153 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 22 ARG 0.622 0.037 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 23 THR 0.930 0.118 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 24 HIS 0.769 0.118 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 25 THR 0.059 0.021 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 26 ASP 11.244 0.246 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 27 VAL 11.185 0.246 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
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 LYS HA 1 2 TYR H 4.000 . 5.000 2.807 2.134 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
2 1 2 TYR H 1 3 ILE H 4.000 . 6.000 3.130 2.429 3.881 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
3 1 2 TYR QB 1 3 ILE H 4.000 . 5.000 3.870 3.832 3.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
4 1 2 TYR HA 1 3 ILE H 3.000 . 3.500 2.629 2.346 2.790 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
5 1 2 TYR QD 1 3 ILE H 4.000 . 7.000 4.877 4.769 4.916 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
6 1 3 ILE H 1 4 CYS H 4.000 . 5.000 4.176 3.970 4.419 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
7 1 3 ILE HB 1 4 CYS H 4.000 . 5.000 4.341 3.989 4.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
8 1 3 ILE HA 1 4 CYS H 2.500 . 2.700 2.204 2.159 2.285 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
9 1 3 ILE MG 1 4 CYS H 3.000 . 5.000 3.078 2.316 3.349 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
10 1 3 ILE MD 1 4 CYS H 4.000 . 7.500 5.211 3.972 5.536 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
11 1 3 ILE MG 1 4 CYS HA 4.000 . 7.500 4.444 4.175 4.693 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
12 1 4 CYS H 1 5 GLU H 4.000 . 6.000 4.445 4.272 4.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
13 1 4 CYS HA 1 5 GLU H 2.500 . 2.700 2.107 2.093 2.132 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
14 1 4 CYS HB3 1 5 GLU H 4.000 . 6.000 4.353 4.269 4.425 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
15 1 4 CYS HB2 1 5 GLU H 4.000 . 5.000 4.217 4.024 4.426 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
16 1 5 GLU H 1 6 GLU H 3.000 . 3.500 2.701 2.610 2.784 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
17 1 5 GLU HB3 1 6 GLU H 4.000 . 5.000 3.961 3.760 4.254 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
18 1 5 GLU HB2 1 6 GLU H 4.000 . 6.000 3.146 3.002 3.274 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
19 1 5 GLU HA 1 6 GLU H 4.000 . 5.000 3.429 3.382 3.473 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
20 1 6 GLU H 1 7 CYS H 2.500 . 2.700 2.745 2.708 2.769 0.069 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
21 1 6 GLU HA 1 7 CYS H 4.000 . 5.000 3.560 3.547 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
22 1 6 GLU HB3 1 7 CYS H 3.000 . 3.500 1.890 1.804 1.986 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
23 1 6 GLU HB2 1 7 CYS H 4.000 . 5.000 3.329 3.260 3.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
24 1 7 CYS H 1 8 GLY H 4.000 . 5.000 2.556 2.509 2.709 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
25 1 7 CYS HA 1 8 GLY H 4.000 . 5.000 3.544 3.512 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
26 1 8 GLY H 1 9 ILE H 3.000 . 3.500 2.007 1.789 2.299 0.011 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
27 1 8 GLY QA 1 9 ILE H 3.000 . 4.500 2.887 2.856 2.906 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
28 1 9 ILE QG 1 10 ARG H 4.000 . 6.000 2.529 2.124 2.817 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
29 1 9 ILE H 1 10 ARG H 4.000 . 6.000 4.580 4.539 4.644 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
30 1 9 ILE HA 1 10 ARG H 2.500 . 2.700 2.166 2.131 2.240 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
31 1 9 ILE HB 1 10 ARG H 4.000 . 5.000 4.352 4.211 4.428 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
32 1 9 ILE MG 1 10 ARG H 4.000 . 6.500 3.611 3.243 3.741 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
33 1 9 ILE MG 1 10 ARG HA 4.000 . 7.500 3.693 3.404 3.785 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
34 1 9 ILE MD 1 10 ARG HA 4.000 . 7.500 5.602 5.263 5.724 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
35 1 9 ILE MD 1 10 ARG H 4.000 . 7.500 3.694 3.040 4.515 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
36 1 11 ABA HA 1 12 LYS H 2.500 . 2.700 2.209 2.122 2.383 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
37 1 11 ABA HB2 1 12 LYS H 4.000 . 5.000 3.920 3.677 4.226 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
38 1 12 LYS H 1 13 LYS H 4.000 . 5.000 2.904 2.807 2.992 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
39 1 12 LYS HA 1 13 LYS H 3.000 . 3.500 3.314 3.169 3.507 0.007 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
40 1 12 LYS HB3 1 13 LYS H 4.000 . 5.000 4.164 3.651 4.439 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
41 1 12 LYS HB2 1 13 LYS H 4.000 . 5.000 3.458 2.942 3.804 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
42 1 13 LYS HA 1 14 PRO QD 2.500 . 3.700 2.053 2.036 2.075 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
43 1 13 LYS HB3 1 14 PRO QD 4.000 . 7.000 2.535 2.317 3.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
44 1 15 SER HA 1 16 MET H 4.000 . 5.000 3.543 3.518 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
45 1 16 MET H 1 17 LEU H 2.500 . 2.700 2.716 2.652 2.758 0.058 6 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
46 1 16 MET HB3 1 17 LEU H 4.000 . 5.000 3.139 2.929 3.333 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
47 1 16 MET HB2 1 17 LEU H 3.000 . 3.500 2.430 2.269 2.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
48 1 16 MET QG 1 17 LEU H 4.000 . 7.000 4.108 3.959 4.283 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
49 1 16 MET HA 1 17 LEU H 4.000 . 5.000 3.584 3.571 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
50 1 17 LEU H 1 18 LYS H 2.500 . 2.700 2.733 2.701 2.794 0.094 16 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
51 1 17 LEU HA 1 18 LYS H 4.000 . 5.000 3.548 3.521 3.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
52 1 17 LEU HB3 1 18 LYS H 2.500 . 2.700 2.086 2.026 2.238 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
53 1 17 LEU HB2 1 18 LYS H 4.000 . 5.000 3.378 3.331 3.433 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
54 1 17 LEU MD2 1 18 LYS HA 4.000 . 7.500 5.437 5.366 5.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
55 1 17 LEU MD2 1 18 LYS H 4.000 . 7.500 4.528 4.483 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
56 1 17 LEU MD1 1 18 LYS H 4.000 . 7.500 3.138 3.085 3.262 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
57 1 18 LYS H 1 19 LYS H 3.000 . 3.500 3.101 3.015 3.166 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
58 1 18 LYS HA 1 19 LYS H 4.000 . 6.000 3.560 3.530 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
59 1 18 LYS QB 1 19 LYS H 2.500 . 3.700 2.367 2.124 2.714 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
60 1 19 LYS H 1 20 HIS H 3.000 . 3.500 2.563 2.472 2.672 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
61 1 19 LYS HA 1 20 HIS H 4.000 . 5.000 3.527 3.518 3.534 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
62 1 19 LYS QB 1 20 HIS H 4.000 . 6.000 2.572 2.410 2.729 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
63 1 20 HIS H 1 21 ILE H 2.500 . 2.700 2.819 2.784 2.853 0.153 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
64 1 20 HIS HA 1 21 ILE H 4.000 . 5.000 3.571 3.556 3.583 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
65 1 20 HIS HB3 1 21 ILE H 3.000 . 3.500 2.312 2.174 2.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
66 1 20 HIS HB2 1 21 ILE H 4.000 . 5.000 3.749 3.647 3.867 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
67 1 20 HIS HD2 1 21 ILE HA 4.000 . 5.000 2.342 2.302 2.445 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
68 1 20 HIS HD2 1 21 ILE MD 4.000 . 6.500 2.981 2.679 4.202 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
69 1 20 HIS HD2 1 21 ILE HB 4.000 . 5.000 3.707 3.366 3.888 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
70 1 20 HIS HD2 1 21 ILE H 3.000 . 3.500 3.088 2.963 3.219 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
71 1 21 ILE H 1 22 ARG H 2.500 . 2.700 2.690 2.599 2.737 0.037 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
72 1 21 ILE HB 1 22 ARG H 4.000 . 5.000 3.794 3.698 4.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
73 1 21 ILE MG 1 22 ARG H 4.000 . 7.500 2.098 2.032 2.141 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
74 1 21 ILE HA 1 22 ARG H 4.000 . 5.000 3.500 3.477 3.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
75 1 22 ARG H 1 23 THR H 2.500 . 2.700 2.521 2.422 2.621 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
76 1 22 ARG HA 1 23 THR H 3.000 . 3.500 3.452 3.392 3.529 0.029 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
77 1 22 ARG HB3 1 23 THR H 4.000 . 5.000 3.789 3.455 3.926 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
78 1 22 ARG HB2 1 23 THR H 4.000 . 5.000 3.081 2.736 3.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
79 1 23 THR H 1 24 HIS H 2.500 . 2.700 2.612 2.463 2.818 0.118 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
80 1 23 THR HA 1 24 HIS H 4.000 . 5.000 3.430 3.224 3.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
81 1 24 HIS H 1 25 THR H 3.000 . 3.500 2.664 2.281 2.888 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
82 1 24 HIS HA 1 25 THR H 3.000 . 3.500 3.159 3.045 3.290 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
83 1 24 HIS QB 1 25 THR H 3.000 . 4.500 3.517 3.319 3.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
84 1 25 THR H 1 26 ASP H 3.000 . 3.500 3.357 3.151 3.521 0.021 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
85 1 25 THR HA 1 26 ASP H 4.000 . 5.000 3.368 3.288 3.468 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
86 1 25 THR HB 1 26 ASP H 4.000 . 5.000 1.962 1.884 2.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
87 1 25 THR MG 1 26 ASP H 4.000 . 6.500 3.396 3.351 3.517 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
88 1 26 ASP HA 1 27 VAL H 2.500 . 2.700 2.886 2.850 2.946 0.246 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
89 1 26 ASP H 1 27 VAL H 4.000 . 5.000 1.962 1.825 2.062 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
90 1 26 ASP HB3 1 27 VAL H 4.000 . 5.000 4.378 4.286 4.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
91 1 26 ASP HB2 1 27 VAL H 4.000 . 6.000 3.996 3.912 4.044 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 2
92 1 26 ASP HA 1 27 VAL MG1 4.000 . 6.500 4.275 4.214 4.345 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 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 774
_Distance_constraint_stats_list.Viol_count 2886
_Distance_constraint_stats_list.Viol_total 14551.223
_Distance_constraint_stats_list.Viol_max 1.040
_Distance_constraint_stats_list.Viol_rms 0.0379
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0840
_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 TYR 2.239 0.075 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 3 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 4 CYS 12.071 0.786 41 2 "[ . 1- . 2 . 3 . 4+ . 5 . 6]"
1 5 GLU 3.445 0.108 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 6 GLU 0.146 0.057 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 7 CYS 25.900 0.243 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 8 GLY 0.065 0.014 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 9 ILE 7.356 0.159 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 11 ABA 64.143 1.040 44 52 "[ ****** ************** ****** ****** *****+*-****** ******]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 13 LYS 1.428 0.084 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 14 PRO 1.533 0.064 1 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 15 SER 0.160 0.017 2 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 16 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 17 LEU 63.581 1.040 44 52 "[ ****** ************** ****** ****** *****+*-****** ******]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 20 HIS 5.221 0.159 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 21 ILE 9.895 0.786 41 2 "[ . 1- . 2 . 3 . 4+ . 5 . 6]"
1 22 ARG 8.150 0.207 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 23 THR 3.984 0.169 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 24 HIS 22.626 0.243 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 25 THR 16.637 0.209 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 26 ASP 2.315 0.082 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 27 VAL 10.066 0.209 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 28 ARG 8.724 0.169 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 29 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 30 TYR 4.931 0.093 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 31 HIS 0.074 0.024 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 32 CYS 8.312 0.117 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 34 TYR 5.707 0.063 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 35 CYS 12.648 0.136 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 36 ASN 0.155 0.016 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 37 PHE 12.897 0.123 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 38 SER 1.790 0.106 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 39 PHE 20.473 0.149 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 40 LYS 7.042 0.111 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 41 THR 10.653 0.093 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 42 LYS 15.124 0.204 14 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 43 GLY 3.513 0.093 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 44 ASN 9.168 0.152 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 45 LEU 3.787 0.107 1 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 46 THR 2.357 0.071 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 47 LYS 4.051 0.071 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 48 HIS 4.698 0.125 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 49 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 50 LYS 0.023 0.012 56 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 52 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 54 HIS 19.808 0.227 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 55 SER 6.502 0.209 3 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 56 LYS 2.463 0.209 3 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
1 57 LYS 8.486 0.224 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]"
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 ILE MG 1 5 GLU HA 4.000 . 7.500 3.961 3.159 4.386 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
2 1 3 ILE MG 1 8 GLY QA 3.000 . 5.800 2.430 2.117 3.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
3 1 3 ILE MG 1 8 GLY H 4.000 . 7.500 4.154 3.907 4.382 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
4 1 4 CYS HA 1 6 GLU H 4.000 . 5.000 3.536 3.319 3.672 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
5 1 4 CYS HB3 1 6 GLU H 4.000 . 6.000 3.916 3.587 4.060 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
6 1 4 CYS HB2 1 7 CYS H 4.000 . 5.000 4.167 3.927 4.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
7 1 4 CYS HB3 1 7 CYS HB3 4.000 . 5.000 4.715 4.058 5.020 0.020 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
8 1 4 CYS HB3 1 8 GLY H 4.000 . 5.000 2.122 1.802 2.536 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
9 1 4 CYS H 1 8 GLY H 4.000 . 5.000 3.938 3.643 4.226 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
10 1 4 CYS HB2 1 8 GLY H 4.000 . 5.000 3.765 3.521 4.204 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
11 1 4 CYS HB3 1 9 ILE H 4.000 . 5.000 2.165 2.023 2.356 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
12 1 4 CYS H 1 9 ILE HB 4.000 . 5.000 4.471 4.198 4.606 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
13 1 4 CYS HB2 1 9 ILE H 4.000 . 5.000 3.693 3.489 4.018 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
14 1 4 CYS HA 1 8 GLY H 4.000 . 5.000 4.466 4.335 4.772 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
15 1 4 CYS HA 1 9 ILE H 4.000 . 5.000 5.035 4.978 5.080 0.080 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
16 1 4 CYS H 1 9 ILE MG 4.000 . 6.500 2.051 1.772 2.202 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
17 1 4 CYS HB3 1 9 ILE QG 4.000 . 7.000 4.951 4.747 5.116 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
18 1 4 CYS HB3 1 9 ILE MG 3.000 . 4.800 2.270 2.248 2.404 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
19 1 4 CYS HB2 1 9 ILE MG 3.000 . 4.800 2.411 2.141 2.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
20 1 4 CYS HB3 1 9 ILE MD 4.000 . 7.500 4.961 4.714 5.241 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
21 1 4 CYS H 1 9 ILE H 4.000 . 5.000 3.422 3.253 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
22 1 5 GLU HA 1 8 GLY H 4.000 . 5.000 4.868 4.628 5.014 0.014 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
23 1 5 GLU H 1 7 CYS H 4.000 . 5.000 5.056 4.992 5.108 0.108 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
24 1 6 GLU H 1 8 GLY H 4.000 . 5.000 3.749 3.282 4.026 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
25 1 9 ILE MD 1 11 ABA HA 4.000 . 7.500 5.911 5.295 6.289 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
26 1 9 ILE MG 1 11 ABA HB2 4.000 . 6.500 4.661 4.300 4.821 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
27 1 11 ABA HA 1 13 LYS HB2 4.000 . 5.000 4.933 4.577 5.084 0.084 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
28 1 11 ABA HA 1 13 LYS H 4.000 . 5.000 3.353 3.193 3.451 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
29 1 11 ABA HB2 1 16 MET HB3 4.000 . 6.000 2.394 2.309 3.311 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
30 1 13 LYS HA 1 15 SER H 4.000 . 5.000 4.820 3.916 5.017 0.017 2 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
31 1 13 LYS H 1 16 MET HB3 4.000 . 6.000 4.619 4.339 5.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
32 1 13 LYS H 1 16 MET HB2 4.000 . 5.000 3.442 3.194 3.720 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
33 1 13 LYS QG 1 16 MET H 4.000 . 6.000 4.985 4.694 5.228 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
34 1 13 LYS HB2 1 16 MET H 4.000 . 5.000 3.287 2.780 3.522 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
35 1 13 LYS HB3 1 16 MET QG 4.000 . 7.000 3.595 2.917 4.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
36 1 13 LYS HB2 1 16 MET HB2 4.000 . 5.000 2.598 2.340 3.188 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
37 1 14 PRO HA 1 17 LEU MD2 4.000 . 6.500 5.303 5.029 5.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
38 1 14 PRO HA 1 17 LEU HB2 4.000 . 6.000 3.588 3.240 3.872 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
39 1 14 PRO HA 1 17 LEU HB3 3.000 . 3.300 2.868 2.599 3.035 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
40 1 14 PRO HA 1 17 LEU H 4.000 . 5.000 3.402 3.277 3.552 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
41 1 14 PRO HA 1 17 LEU HG 4.000 . 6.000 4.816 4.499 5.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
42 1 14 PRO HA 1 18 LYS H 4.000 . 5.000 3.001 2.880 3.205 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
43 1 15 SER HA 1 17 LEU H 4.000 . 6.000 4.932 4.732 5.224 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
44 1 15 SER HA 1 18 LYS H 4.000 . 5.000 4.204 4.059 4.308 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
45 1 15 SER HA 1 18 LYS QB 3.000 . 4.300 2.509 2.285 2.896 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
46 1 15 SER HA 1 18 LYS QD 4.000 . 7.000 3.872 2.446 5.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
47 1 15 SER HA 1 19 LYS H 4.000 . 6.000 3.869 3.627 4.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
48 1 15 SER HA 1 18 LYS QE 4.000 . 6.000 4.260 2.297 5.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
49 1 15 SER HA 1 18 LYS QG 3.000 . 4.300 3.629 3.218 3.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
50 1 16 MET HA 1 18 LYS H 4.000 . 6.000 5.047 4.614 5.254 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
51 1 16 MET H 1 18 LYS H 4.000 . 5.000 4.237 3.957 4.456 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
52 1 16 MET HA 1 19 LYS QB 3.000 . 5.000 3.278 3.015 3.541 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
53 1 16 MET HA 1 19 LYS QG 4.000 . 7.000 4.771 3.537 5.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
54 1 16 MET HA 1 19 LYS H 4.000 . 5.000 3.967 3.729 4.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
55 1 16 MET HA 1 19 LYS QD 4.000 . 6.000 4.202 3.104 5.452 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
56 1 16 MET HA 1 20 HIS H 4.000 . 6.000 4.370 4.104 4.529 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
57 1 17 LEU H 1 19 LYS H 4.000 . 5.000 4.249 4.000 4.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
58 1 17 LEU MD2 1 20 HIS HB3 4.000 . 6.500 2.727 2.520 3.054 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
59 1 17 LEU HA 1 20 HIS H 3.000 . 3.500 3.159 3.038 3.257 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
60 1 17 LEU MD1 1 20 HIS H 4.000 . 6.500 3.746 3.641 3.917 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
61 1 17 LEU HA 1 20 HIS HB3 3.000 . 3.300 2.286 2.260 2.326 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
62 1 17 LEU HA 1 20 HIS HB2 3.000 . 3.300 2.992 2.758 3.111 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
63 1 17 LEU MD1 1 20 HIS HB3 4.000 . 7.500 2.407 2.307 2.632 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
64 1 17 LEU MD1 1 20 HIS HB2 4.000 . 7.500 3.966 3.857 4.166 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
65 1 17 LEU MD1 1 20 HIS HD2 3.000 . 4.800 3.346 3.216 3.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
66 1 17 LEU MD2 1 20 HIS HD2 4.000 . 7.500 3.812 3.756 4.006 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
67 1 17 LEU MD1 1 20 HIS HE1 4.000 . 7.500 6.183 6.136 6.233 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
68 1 17 LEU MD2 1 20 HIS HE1 4.000 . 7.500 5.325 5.104 5.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
69 1 17 LEU QD 1 21 ILE HA 4.000 . 8.400 3.615 3.486 3.889 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
70 1 17 LEU HA 1 21 ILE H 4.000 . 5.000 3.726 3.582 3.923 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
71 1 17 LEU MD1 1 21 ILE H 4.000 . 7.500 2.346 2.192 2.710 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
72 1 17 LEU MD1 1 21 ILE MD 4.000 . 9.000 2.544 2.263 3.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
73 1 17 LEU MD1 1 21 ILE HB 4.000 . 7.500 2.151 2.044 2.389 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
74 1 18 LYS H 1 20 HIS H 4.000 . 5.000 4.261 4.162 4.373 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
75 1 18 LYS HA 1 21 ILE MD 4.000 . 6.500 5.319 5.088 5.420 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
76 1 18 LYS HA 1 21 ILE MG 4.000 . 7.500 2.727 2.155 3.039 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
77 1 18 LYS HA 1 21 ILE QG 4.000 . 7.000 5.004 4.691 5.298 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
78 1 18 LYS HA 1 21 ILE HB 4.000 . 5.000 3.857 3.520 4.575 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
79 1 19 LYS HA 1 22 ARG H 4.000 . 5.000 3.420 3.214 3.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
80 1 19 LYS HA 1 22 ARG HB3 4.000 . 6.000 4.091 3.890 4.406 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
81 1 19 LYS HA 1 22 ARG HB2 4.000 . 6.000 2.539 2.345 2.864 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
82 1 19 LYS HA 1 22 ARG QG 4.000 . 7.000 3.554 3.067 4.023 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
83 1 19 LYS HA 1 22 ARG QD 3.000 . 4.300 2.827 2.332 3.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
84 1 20 HIS H 1 22 ARG H 4.000 . 5.000 3.976 3.905 4.061 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
85 1 20 HIS HA 1 23 THR H 4.000 . 5.000 3.369 3.163 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
86 1 20 HIS HA 1 23 THR HB 4.000 . 5.000 3.439 2.983 3.847 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
87 1 20 HIS HA 1 23 THR MG 4.000 . 6.500 4.159 3.822 4.574 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
88 1 20 HIS HD2 1 24 HIS HD2 3.000 . 3.300 2.852 2.646 2.996 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
89 1 20 HIS HA 1 22 ARG H 4.000 . 5.000 4.135 4.009 4.274 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
90 1 21 ILE HA 1 23 THR H 4.000 . 5.000 3.897 3.716 4.318 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
91 1 21 ILE H 1 23 THR H 4.000 . 5.000 4.088 3.953 4.340 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
92 1 21 ILE H 1 24 HIS HD2 4.000 . 5.000 4.834 4.721 4.969 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
93 1 21 ILE HB 1 24 HIS HD2 4.000 . 6.000 4.786 4.196 4.981 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
94 1 21 ILE QG 1 24 HIS HD2 4.000 . 6.000 3.715 3.134 4.032 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
95 1 21 ILE MG 1 24 HIS HD2 4.000 . 6.500 4.864 4.752 5.045 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
96 1 21 ILE MD 1 24 HIS HD2 4.000 . 6.500 3.057 2.741 3.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
97 1 21 ILE MD 1 24 HIS QB 3.000 . 5.800 4.069 3.972 4.188 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
98 1 21 ILE HA 1 24 HIS QB 4.000 . 7.000 3.664 3.481 3.790 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
99 1 21 ILE HA 1 24 HIS HD2 2.500 . 2.700 2.267 2.237 2.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
100 1 21 ILE HA 1 24 HIS H 4.000 . 5.000 3.735 3.441 4.159 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
101 1 22 ARG HA 1 24 HIS H 4.000 . 5.000 3.630 3.176 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
102 1 22 ARG HA 1 25 THR HB 4.000 . 5.000 5.136 5.044 5.207 0.207 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
103 1 22 ARG HA 1 25 THR MG 4.000 . 6.500 2.418 2.230 2.860 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
104 1 22 ARG H 1 25 THR MG 4.000 . 6.500 4.774 4.559 5.281 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
105 1 22 ARG HA 1 25 THR H 4.000 . 5.000 4.067 3.742 4.315 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
106 1 23 THR HA 1 25 THR H 4.000 . 5.000 3.252 3.129 3.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
107 1 23 THR H 1 25 THR H 4.000 . 5.000 4.284 4.134 4.442 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
108 1 23 THR HA 1 26 ASP H 4.000 . 5.000 5.039 5.003 5.082 0.082 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
109 1 23 THR HA 1 27 VAL MG1 3.000 . 4.800 2.206 2.037 2.495 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
110 1 23 THR HA 1 27 VAL H 4.000 . 5.000 3.981 3.787 4.234 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
111 1 23 THR MG 1 27 VAL H 4.000 . 6.500 4.695 4.532 4.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
112 1 24 HIS HA 1 27 VAL MG1 4.000 . 7.500 5.284 4.889 5.598 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
113 1 25 THR HB 1 27 VAL MG1 3.000 . 4.800 3.931 3.799 4.007 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
114 1 25 THR HB 1 27 VAL H 4.000 . 5.000 3.789 3.697 3.860 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
115 1 25 THR HA 1 27 VAL H 4.000 . 5.000 4.850 4.759 4.933 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
116 1 25 THR H 1 27 VAL H 3.000 . 3.500 3.641 3.539 3.709 0.209 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
117 1 2 TYR QB 1 11 ABA HB2 4.000 . 6.000 4.108 3.663 4.355 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
118 1 2 TYR QD 1 11 ABA HB2 4.000 . 8.000 5.575 5.112 5.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
119 1 2 TYR H 1 12 LYS HA 4.000 . 6.000 4.850 3.891 5.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
120 1 2 TYR QD 1 12 LYS HA 3.000 . 5.300 2.995 2.331 3.799 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
121 1 2 TYR QE 1 12 LYS HA 4.000 . 8.000 4.589 3.929 5.483 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
122 1 2 TYR QB 1 12 LYS HA 4.000 . 6.000 3.132 2.421 3.873 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
123 1 2 TYR QB 1 13 LYS HA 4.000 . 6.000 5.139 4.685 5.425 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
124 1 2 TYR QD 1 13 LYS HA 4.000 . 7.000 4.860 4.464 5.262 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
125 1 2 TYR QE 1 13 LYS HA 4.000 . 7.000 4.674 4.298 5.065 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
126 1 2 TYR HA 1 14 PRO HA 4.000 . 6.000 5.665 5.276 5.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
127 1 2 TYR HD1 1 14 PRO HA 3.000 . 3.300 3.018 2.627 3.279 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
128 1 2 TYR HE1 1 14 PRO HA 4.000 . 6.000 2.851 2.576 3.109 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
129 1 2 TYR HD1 1 14 PRO HD3 4.000 . 7.000 5.368 5.048 5.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
130 1 2 TYR HD1 1 14 PRO HD2 4.000 . 7.000 6.469 6.214 6.657 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
131 1 2 TYR HE1 1 14 PRO HD3 3.000 . 4.300 4.299 3.785 4.364 0.064 1 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
132 1 2 TYR HE1 1 14 PRO HD2 4.000 . 7.000 5.603 5.095 5.703 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
133 1 2 TYR HD1 1 14 PRO HB3 4.000 . 6.000 4.413 3.988 4.799 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
134 1 2 TYR HE1 1 14 PRO HB3 4.000 . 6.000 2.730 2.344 3.118 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
135 1 2 TYR HD1 1 14 PRO QG 4.000 . 7.000 5.556 5.081 5.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
136 1 2 TYR HE1 1 14 PRO QG 4.000 . 7.000 3.957 3.211 4.289 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
137 1 2 TYR HD1 1 14 PRO HB2 4.000 . 6.000 5.631 5.186 5.986 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
138 1 2 TYR HE1 1 14 PRO HB2 4.000 . 6.000 4.389 4.012 4.741 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
139 1 2 TYR HA 1 17 LEU HA 4.000 . 6.000 5.991 5.903 6.075 0.075 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
140 1 2 TYR HA 1 17 LEU MD2 3.000 . 4.800 3.311 3.009 3.526 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
141 1 2 TYR HA 1 17 LEU HB3 4.000 . 5.000 4.317 4.067 4.460 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
142 1 2 TYR QB 1 17 LEU HG 4.000 . 5.000 2.590 2.494 2.709 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
143 1 2 TYR HA 1 17 LEU MD1 4.000 . 6.500 3.912 3.770 4.015 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
144 1 2 TYR QB 1 17 LEU MD2 4.000 . 4.800 2.610 2.284 2.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
145 1 2 TYR QB 1 17 LEU MD1 4.000 . 7.500 4.052 3.997 4.110 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
146 1 2 TYR QB 1 17 LEU HB3 4.000 . 6.000 3.314 3.117 3.473 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
147 1 2 TYR QB 1 17 LEU HB2 4.000 . 6.000 2.300 2.274 2.333 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
148 1 2 TYR HD1 1 17 LEU HB3 4.000 . 5.000 2.586 2.430 2.767 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
149 1 2 TYR HE1 1 17 LEU HB3 4.000 . 5.000 4.240 3.988 4.508 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
150 1 2 TYR HD1 1 17 LEU MD2 3.000 . 4.800 4.009 3.769 4.292 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
151 1 2 TYR HE1 1 17 LEU MD2 4.000 . 6.500 6.021 5.779 6.304 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
152 1 2 TYR HD1 1 17 LEU MD1 4.000 . 7.500 3.752 3.658 3.829 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
153 1 2 TYR HA 1 17 LEU HG 4.000 . 5.000 2.467 2.348 2.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
154 1 3 ILE MG 1 9 ILE MG 4.000 . 9.000 4.032 3.235 4.380 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
155 1 3 ILE MG 1 10 ARG H 4.000 . 7.500 4.600 4.071 5.228 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
156 1 3 ILE QG 1 10 ARG H 4.000 . 7.000 5.447 4.677 6.297 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
157 1 3 ILE HA 1 10 ARG HA 4.000 . 5.000 2.907 2.724 3.188 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
158 1 3 ILE QG 1 10 ARG HA 4.000 . 7.000 3.007 2.599 4.218 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
159 1 3 ILE MD 1 10 ARG QG 4.000 . 7.500 3.677 2.073 4.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
160 1 3 ILE MD 1 10 ARG HA 4.000 . 6.500 4.217 2.104 4.947 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
161 1 3 ILE QG 1 10 ARG QD 4.000 . 7.000 3.213 2.198 3.939 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
162 1 3 ILE MG 1 10 ARG HA 4.000 . 6.500 3.280 2.304 4.187 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
163 1 3 ILE HA 1 10 ARG QD 4.000 . 6.000 5.087 3.539 5.498 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
164 1 3 ILE MD 1 10 ARG QD 4.000 . 7.500 3.308 2.184 4.685 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
165 1 3 ILE MG 1 10 ARG QD 4.000 . 8.500 3.703 2.420 4.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
166 1 3 ILE HB 1 10 ARG HA 4.000 . 6.000 5.295 4.786 5.670 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
167 1 3 ILE MG 1 10 ARG QB 4.000 . 7.500 3.560 2.896 4.329 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
168 1 3 ILE HA 1 17 LEU MD2 4.000 . 7.500 3.018 2.542 3.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
169 1 3 ILE HA 1 17 LEU MD1 4.000 . 7.500 5.154 4.734 5.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
170 1 3 ILE H 1 17 LEU MD1 4.000 . 7.500 4.915 4.393 5.291 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
171 1 3 ILE QG 1 10 ARG QG 4.000 . 7.000 3.016 2.276 4.226 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
172 1 3 ILE HA 1 10 ARG QG 4.000 . 6.000 4.394 3.910 5.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
173 1 4 CYS H 1 10 ARG HA 4.000 . 5.000 4.318 4.138 4.490 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
174 1 4 CYS HA 1 17 LEU MD1 4.000 . 6.500 3.802 3.457 4.229 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
175 1 4 CYS HA 1 17 LEU MD2 4.000 . 7.500 3.601 3.346 3.754 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
176 1 4 CYS HB3 1 17 LEU MD1 4.000 . 7.500 4.974 4.813 5.635 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
177 1 4 CYS HB2 1 17 LEU MD2 4.000 . 7.500 3.106 3.023 3.249 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
178 1 4 CYS HB2 1 17 LEU MD1 4.000 . 6.500 3.654 3.524 4.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
179 1 4 CYS H 1 17 LEU MD1 4.000 . 6.500 4.254 4.036 4.831 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
180 1 4 CYS H 1 17 LEU MD2 4.000 . 7.500 2.502 2.380 2.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
181 1 4 CYS HA 1 20 HIS HD2 4.000 . 5.000 4.801 4.421 5.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
182 1 4 CYS HB3 1 20 HIS HD2 4.000 . 5.000 4.364 4.217 4.864 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
183 1 4 CYS HB2 1 20 HIS HD2 4.000 . 5.000 2.948 2.737 3.383 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
184 1 4 CYS HA 1 21 ILE MD 3.000 . 4.800 3.185 2.614 3.837 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
185 1 4 CYS HB3 1 21 ILE HA 4.000 . 6.000 6.165 6.071 6.786 0.786 41 2 "[ . 1- . 2 . 3 . 4+ . 5 . 6]" 3
186 1 4 CYS HB2 1 21 ILE MD 4.000 . 7.500 3.361 2.999 4.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
187 1 5 GLU H 1 17 LEU MD1 4.000 . 6.500 5.355 4.967 5.723 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
188 1 6 GLU HB2 1 24 HIS HD2 4.000 . 6.000 5.187 4.632 5.637 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
189 1 6 GLU HB3 1 24 HIS HD2 4.000 . 5.000 4.721 4.248 5.057 0.057 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
190 1 6 GLU HB2 1 24 HIS HE1 4.000 . 6.000 4.490 3.924 5.147 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
191 1 6 GLU HB3 1 24 HIS HE1 4.000 . 6.000 3.250 2.809 3.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
192 1 6 GLU QG 1 24 HIS HE1 4.000 . 7.000 3.478 2.761 4.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
193 1 7 CYS HA 1 24 HIS HE1 4.000 . 5.000 5.147 5.053 5.242 0.242 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
194 1 7 CYS HB3 1 24 HIS HE1 4.000 . 5.000 5.126 5.076 5.243 0.243 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
195 1 7 CYS HB2 1 24 HIS HE1 4.000 . 5.000 5.102 5.076 5.139 0.139 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
196 1 9 ILE QG 1 17 LEU MD1 4.000 . 7.500 5.524 5.132 6.071 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
197 1 9 ILE MG 1 17 LEU MD1 4.000 . 8.000 3.541 3.286 3.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
198 1 9 ILE HA 1 20 HIS HE1 4.000 . 5.000 5.087 5.045 5.159 0.159 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
199 1 9 ILE HB 1 20 HIS HE1 4.000 . 6.000 2.554 2.492 2.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
200 1 9 ILE QG 1 20 HIS HE1 4.000 . 6.000 3.844 3.418 4.133 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
201 1 9 ILE MG 1 20 HIS HE1 4.000 . 6.500 3.147 2.883 3.418 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
202 1 9 ILE MD 1 20 HIS HE1 4.000 . 6.500 2.797 2.310 3.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
203 1 9 ILE HB 1 20 HIS HD2 4.000 . 6.000 5.178 4.808 5.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
204 1 9 ILE QG 1 20 HIS HD2 4.000 . 7.000 5.690 5.296 6.320 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
205 1 9 ILE MG 1 20 HIS HD2 4.000 . 7.500 3.424 3.243 3.671 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
206 1 9 ILE MD 1 20 HIS HD2 4.000 . 7.500 5.590 4.530 6.237 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
207 1 9 ILE MD 1 20 HIS HB2 4.000 . 7.500 4.303 2.682 5.171 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
208 1 11 ABA HB2 1 17 LEU HB2 3.000 . 3.300 3.435 2.724 3.724 0.424 13 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
209 1 11 ABA HB2 1 17 LEU MD1 4.000 . 6.500 5.649 4.986 5.852 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
210 1 11 ABA HB2 1 17 LEU HA 3.000 . 3.300 4.133 3.427 4.340 1.040 44 52 "[ ****** ************** ****** ****** *****+*-****** ******]" 3
211 1 28 ARG H 1 28 ARG HB2 2.500 . 2.700 2.422 2.352 2.515 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
212 1 28 ARG H 1 28 ARG HB3 4.000 . 5.000 3.658 3.614 3.709 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
213 1 28 ARG H 1 28 ARG QG 4.000 . 7.000 3.051 2.920 3.209 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
214 1 28 ARG HA 1 28 ARG HB2 3.000 . 3.300 3.037 3.026 3.046 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
215 1 28 ARG HA 1 28 ARG HB3 3.000 . 3.300 2.590 2.559 2.614 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
216 1 28 ARG HA 1 28 ARG QG 3.000 . 3.900 2.338 2.283 2.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
217 1 29 PRO HA 1 29 PRO HB3 2.500 . 2.700 2.294 2.290 2.298 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
218 1 30 TYR H 1 30 TYR HA 3.000 . 3.500 2.915 2.798 2.996 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
219 1 30 TYR H 1 30 TYR HB3 4.000 . 5.000 3.630 3.601 3.817 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
220 1 30 TYR H 1 30 TYR HB2 2.500 . 2.700 2.470 2.399 2.665 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
221 1 30 TYR H 1 30 TYR HD2 3.000 . 3.500 2.791 2.550 3.539 0.039 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
222 1 30 TYR HA 1 30 TYR HB3 2.500 . 2.700 2.529 2.496 2.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
223 1 30 TYR HA 1 30 TYR HD1 2.500 . 2.700 2.464 2.362 2.573 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
224 1 30 TYR HA 1 30 TYR HE1 4.000 . 5.000 4.576 4.516 4.645 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
225 1 30 TYR HB3 1 30 TYR HD1 2.500 . 2.700 2.658 2.604 2.704 0.004 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
226 1 30 TYR HB2 1 30 TYR HD2 2.500 . 2.700 2.351 2.344 2.367 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
227 1 31 HIS H 1 31 HIS HB3 4.000 . 5.000 3.674 3.527 3.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
228 1 31 HIS H 1 31 HIS HB2 2.500 . 2.700 2.495 2.224 2.700 0.000 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
229 1 31 HIS H 1 31 HIS HD2 3.000 . 3.500 2.935 2.031 3.511 0.011 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
230 1 31 HIS HA 1 31 HIS HB3 2.500 . 2.700 2.534 2.403 2.699 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
231 1 31 HIS HA 1 31 HIS HB2 3.000 . 3.300 3.049 3.010 3.063 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
232 1 31 HIS HA 1 31 HIS HD2 4.000 . 5.000 4.176 3.248 4.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
233 1 31 HIS HB2 1 31 HIS HD2 3.000 . 3.300 2.843 2.725 3.086 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
234 1 31 HIS HB3 1 31 HIS HD2 4.000 . 5.000 3.904 3.790 3.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
235 1 32 CYS H 1 32 CYS HA 3.000 . 3.500 2.855 2.811 2.893 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
236 1 32 CYS H 1 32 CYS HB3 2.500 . 2.700 2.286 2.242 2.328 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
237 1 32 CYS H 1 32 CYS HB2 2.500 . 2.700 2.787 2.757 2.817 0.117 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
238 1 32 CYS HA 1 32 CYS HB3 3.000 . 3.300 3.032 3.019 3.041 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
239 1 32 CYS HA 1 32 CYS HB2 2.500 . 2.700 2.386 2.360 2.409 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
240 1 33 THR H 1 33 THR HA 3.000 . 3.500 2.915 2.846 2.962 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
241 1 33 THR H 1 33 THR HB 4.000 . 5.000 2.591 2.314 2.850 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
242 1 33 THR H 1 33 THR MG 4.000 . 6.500 3.762 3.656 3.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
243 1 33 THR HA 1 33 THR HB 3.000 . 3.300 3.071 3.051 3.083 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
244 1 33 THR HA 1 33 THR MG 3.000 . 4.400 2.301 2.224 2.480 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
245 1 34 TYR H 1 34 TYR HA 3.000 . 3.500 2.970 2.942 2.994 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
246 1 34 TYR H 1 34 TYR QB 3.000 . 3.500 2.723 2.523 2.881 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
247 1 34 TYR H 1 34 TYR HD1 4.000 . 5.000 2.524 1.791 2.981 0.009 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
248 1 34 TYR HA 1 34 TYR QB 2.500 . 2.700 2.379 2.353 2.407 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
249 1 34 TYR HA 1 34 TYR QD 3.000 . 5.300 3.107 2.957 3.204 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
250 1 34 TYR QB 1 34 TYR HD1 2.500 . 2.700 2.516 2.433 2.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
251 1 34 TYR QB 1 34 TYR HD2 2.500 . 2.700 2.354 2.319 2.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
252 1 35 CYS H 1 35 CYS HA 3.000 . 3.500 2.863 2.826 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
253 1 35 CYS H 1 35 CYS HB2 3.000 . 3.500 2.675 2.550 2.797 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
254 1 35 CYS H 1 35 CYS HB3 4.000 . 5.000 3.598 3.579 3.635 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
255 1 35 CYS HA 1 35 CYS HB3 3.000 . 3.300 2.428 2.383 2.455 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
256 1 36 ASN H 1 36 ASN HA 3.000 . 3.500 2.987 2.970 2.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
257 1 36 ASN H 1 36 ASN HB2 4.000 . 5.000 2.915 2.527 3.311 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
258 1 36 ASN H 1 36 ASN HB3 3.000 . 3.500 2.648 2.450 2.832 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
259 1 36 ASN H 1 36 ASN HD21 4.000 . 7.000 4.815 4.355 5.174 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
260 1 36 ASN HA 1 36 ASN HB2 2.500 . 2.700 2.558 2.398 2.679 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
261 1 36 ASN HA 1 36 ASN HB3 3.000 . 3.300 3.056 3.032 3.066 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
262 1 36 ASN HA 1 36 ASN HD22 4.000 . 7.000 3.952 3.343 4.693 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
263 1 36 ASN HA 1 36 ASN HD21 4.000 . 7.000 3.112 1.836 4.534 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
264 1 36 ASN HB2 1 36 ASN HD22 4.000 . 6.000 3.706 3.504 4.023 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
265 1 36 ASN HB2 1 36 ASN HD21 3.000 . 4.500 2.720 2.236 3.416 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
266 1 36 ASN HB3 1 36 ASN HD22 4.000 . 6.000 3.922 3.503 4.123 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
267 1 36 ASN HB3 1 36 ASN HD21 3.000 . 4.500 3.184 2.234 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
268 1 37 PHE H 1 37 PHE HA 3.000 . 3.500 2.920 2.875 2.941 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
269 1 37 PHE H 1 37 PHE HB3 4.000 . 5.000 2.813 2.755 2.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
270 1 37 PHE H 1 37 PHE HB2 3.000 . 3.500 2.329 2.230 2.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
271 1 37 PHE H 1 37 PHE HD2 4.000 . 5.000 5.047 5.010 5.123 0.123 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
272 1 37 PHE H 1 37 PHE HD1 4.000 . 5.000 4.286 4.091 4.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
273 1 37 PHE HA 1 37 PHE HB2 2.500 . 2.700 2.679 2.643 2.715 0.015 14 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
274 1 37 PHE HA 1 37 PHE HD1 2.500 . 2.700 2.658 2.376 2.740 0.040 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
275 1 38 SER H 1 38 SER HA 3.000 . 3.500 2.953 2.919 2.988 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
276 1 38 SER H 1 38 SER HB2 4.000 . 5.000 3.162 2.980 3.355 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
277 1 38 SER H 1 38 SER HB3 3.000 . 3.500 2.945 2.735 3.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
278 1 38 SER HA 1 38 SER HB2 2.500 . 2.700 2.580 2.517 2.633 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
279 1 38 SER HA 1 38 SER HB3 3.000 . 3.300 3.047 3.029 3.061 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
280 1 39 PHE H 1 39 PHE HA 3.000 . 3.500 2.985 2.977 2.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
281 1 39 PHE H 1 39 PHE HB3 4.000 . 5.000 3.815 3.752 3.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
282 1 39 PHE H 1 39 PHE HB2 2.500 . 2.700 2.794 2.730 2.849 0.149 17 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
283 1 39 PHE H 1 39 PHE HD1 3.000 . 3.500 2.176 1.862 2.433 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
284 1 39 PHE HA 1 39 PHE HB3 2.500 . 2.700 2.401 2.377 2.418 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
285 1 39 PHE HA 1 39 PHE HD2 4.000 . 5.000 3.245 3.079 3.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
286 1 39 PHE HB2 1 39 PHE HD1 3.000 . 3.300 2.526 2.475 2.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
287 1 40 LYS H 1 40 LYS HA 3.000 . 3.500 2.939 2.919 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
288 1 40 LYS H 1 40 LYS HB3 2.500 . 2.700 2.342 2.286 2.503 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
289 1 40 LYS H 1 40 LYS HB2 2.500 . 2.700 2.759 2.575 2.811 0.111 7 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
290 1 40 LYS H 1 40 LYS QG 4.000 . 6.000 3.984 3.949 4.046 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
291 1 40 LYS H 1 40 LYS QD 4.000 . 7.000 4.258 4.212 4.321 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
292 1 40 LYS HA 1 40 LYS HB2 2.500 . 2.700 2.455 2.429 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
293 1 40 LYS HA 1 40 LYS HB3 3.000 . 3.300 3.054 3.042 3.062 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
294 1 40 LYS HA 1 40 LYS QD 4.000 . 7.000 2.160 2.106 2.272 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
295 1 41 THR H 1 41 THR HA 3.000 . 3.500 2.992 2.982 2.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
296 1 41 THR H 1 41 THR HB 4.000 . 5.000 3.849 3.777 3.888 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
297 1 41 THR H 1 41 THR MG 2.500 . 4.200 2.359 2.172 2.600 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
298 1 41 THR HA 1 41 THR HB 2.500 . 2.700 2.425 2.411 2.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
299 1 41 THR HA 1 41 THR MG 2.500 . 3.800 2.616 2.516 2.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
300 1 42 LYS H 1 42 LYS HA 2.500 . 2.700 2.880 2.851 2.904 0.204 14 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
301 1 42 LYS H 1 42 LYS HB3 2.500 . 2.700 2.524 2.276 2.717 0.017 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
302 1 42 LYS H 1 42 LYS HB2 2.500 . 2.700 2.546 2.359 2.757 0.057 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
303 1 42 LYS H 1 42 LYS QG 4.000 . 6.000 3.954 3.874 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
304 1 42 LYS H 1 42 LYS QD 4.000 . 7.000 4.393 4.089 4.775 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
305 1 42 LYS HA 1 42 LYS HB3 4.000 2.800 5.000 3.049 3.032 3.060 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
306 1 42 LYS HA 1 42 LYS HB2 2.500 . 2.700 2.528 2.401 2.631 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
307 1 42 LYS HA 1 42 LYS QD 4.000 . 7.000 3.629 2.100 4.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
308 1 43 GLY H 1 43 GLY QA 2.500 . 3.300 2.249 2.240 2.260 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
309 1 44 ASN H 1 44 ASN HA 2.500 . 2.700 2.780 2.756 2.852 0.152 44 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
310 1 44 ASN H 1 44 ASN HB2 2.500 . 2.700 2.393 2.262 2.516 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
311 1 44 ASN H 1 44 ASN HB3 4.000 . 5.000 3.584 3.541 3.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
312 1 44 ASN H 1 44 ASN HD21 4.000 . 7.000 3.084 1.441 4.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
313 1 44 ASN HA 1 44 ASN HB3 2.500 . 2.700 2.611 2.562 2.643 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
314 1 44 ASN HA 1 44 ASN HD22 4.000 . 7.000 4.030 3.300 4.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
315 1 44 ASN HA 1 44 ASN HD21 4.000 . 7.000 3.407 1.764 4.465 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
316 1 45 LEU H 1 45 LEU HA 3.000 . 3.500 2.824 2.780 2.867 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
317 1 45 LEU H 1 45 LEU HB3 2.500 . 2.700 2.608 2.425 2.807 0.107 1 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
318 1 45 LEU H 1 45 LEU HB2 2.500 . 2.700 2.421 2.213 2.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
319 1 45 LEU H 1 45 LEU HG 4.000 . 6.000 4.619 4.578 4.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
320 1 45 LEU H 1 45 LEU MD1 4.000 . 7.500 4.129 4.001 4.236 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
321 1 45 LEU H 1 45 LEU MD2 4.000 . 6.500 3.898 3.642 4.081 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
322 1 45 LEU HA 1 45 LEU HB2 2.500 . 2.700 2.549 2.465 2.659 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
323 1 45 LEU HA 1 45 LEU HG 4.000 . 6.000 3.729 3.685 3.759 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
324 1 45 LEU HA 1 45 LEU MD1 4.000 . 6.500 2.983 2.441 3.335 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
325 1 45 LEU HA 1 45 LEU MD2 3.000 . 4.800 2.096 2.064 2.186 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
326 1 45 LEU MD1 1 49 MET HB2 4.000 . 6.500 3.227 2.881 3.840 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
327 1 46 THR H 1 46 THR HA 3.000 . 3.500 2.826 2.793 2.863 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
328 1 46 THR H 1 46 THR HB 2.500 . 2.700 2.601 2.376 2.715 0.015 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
329 1 46 THR H 1 46 THR MG 3.000 . 5.000 3.744 3.712 3.767 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
330 1 46 THR HA 1 46 THR HB 3.000 . 3.300 3.079 3.069 3.084 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
331 1 46 THR HA 1 46 THR MG 2.500 . 3.800 2.323 2.247 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
332 1 47 LYS H 1 47 LYS HA 3.000 . 3.500 2.872 2.841 2.903 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
333 1 47 LYS H 1 47 LYS QB 2.500 . 3.300 2.211 2.030 2.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
334 1 47 LYS H 1 47 LYS QG 4.000 . 6.000 3.656 2.203 4.077 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
335 1 47 LYS H 1 47 LYS QD 4.000 . 7.000 4.203 3.581 4.730 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
336 1 47 LYS HA 1 47 LYS QG 3.000 . 3.900 2.344 2.163 3.089 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
337 1 47 LYS HA 1 47 LYS QD 4.000 . 6.000 3.486 2.090 4.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
338 1 48 HIS H 1 48 HIS HB3 3.000 . 3.500 2.429 2.316 2.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
339 1 48 HIS H 1 48 HIS HB2 3.000 . 3.500 2.701 2.577 2.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
340 1 48 HIS HA 1 48 HIS HB3 3.000 . 3.300 3.061 3.050 3.066 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
341 1 48 HIS HA 1 48 HIS HB2 2.500 . 2.700 2.459 2.414 2.491 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
342 1 48 HIS HB2 1 48 HIS HD2 4.000 . 5.000 3.767 3.634 3.886 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
343 1 48 HIS HB3 1 48 HIS HD2 4.000 . 5.000 2.756 2.748 2.790 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
344 1 49 MET H 1 49 MET HA 3.000 . 3.500 2.930 2.830 2.976 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
345 1 49 MET H 1 49 MET HB2 2.500 . 2.700 2.331 2.253 2.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
346 1 49 MET H 1 49 MET HB3 4.000 . 5.000 3.587 3.553 3.653 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
347 1 49 MET H 1 49 MET QG 3.000 . 4.500 2.551 2.187 2.845 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
348 1 49 MET HA 1 49 MET HB3 2.500 . 2.700 2.597 2.506 2.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
349 1 49 MET HA 1 49 MET ME 4.000 . 6.500 3.842 2.482 4.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
350 1 50 LYS H 1 50 LYS HA 3.000 . 3.500 2.828 2.766 2.889 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
351 1 50 LYS H 1 50 LYS HB3 3.000 . 3.500 2.710 2.420 2.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
352 1 50 LYS H 1 50 LYS HB2 2.500 . 2.700 2.376 2.194 2.629 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
353 1 50 LYS H 1 50 LYS QG 4.000 . 6.000 3.955 3.806 4.069 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
354 1 50 LYS H 1 50 LYS QD 4.000 . 7.000 4.353 3.714 4.838 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
355 1 50 LYS HA 1 50 LYS HB3 3.000 . 3.300 3.050 3.024 3.061 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
356 1 50 LYS HA 1 50 LYS HB2 3.000 . 3.300 2.578 2.458 2.681 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
357 1 50 LYS HA 1 50 LYS QD 4.000 . 6.000 3.572 2.089 4.197 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
358 1 51 SER H 1 51 SER HA 3.000 . 3.500 2.809 2.765 2.904 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
359 1 51 SER HA 1 51 SER QB 2.500 . 3.700 2.409 2.234 2.528 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
360 1 52 LYS H 1 52 LYS HA 3.000 . 3.500 2.906 2.852 2.966 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
361 1 52 LYS H 1 52 LYS QB 2.500 . 3.300 2.461 2.111 2.954 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
362 1 52 LYS H 1 52 LYS QG 4.000 . 7.000 2.494 1.615 3.985 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
363 1 52 LYS H 1 52 LYS QD 4.000 . 6.000 3.631 1.798 4.523 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
364 1 52 LYS HA 1 52 LYS QD 4.000 . 7.000 3.782 2.148 4.505 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
365 1 53 ALA H 1 53 ALA HA 3.000 . 3.500 2.805 2.756 2.899 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
366 1 53 ALA H 1 53 ALA MB 3.000 . 4.600 2.233 2.104 2.258 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
367 1 54 HIS H 1 54 HIS HB2 4.000 . 5.000 3.749 3.689 3.891 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
368 1 54 HIS H 1 54 HIS HB3 3.000 . 3.500 3.618 3.549 3.727 0.227 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
369 1 54 HIS HA 1 54 HIS HB2 2.500 . 2.700 2.690 2.640 2.708 0.008 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
370 1 54 HIS HA 1 54 HIS HB3 2.500 . 2.700 2.334 2.313 2.365 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
371 1 54 HIS HB2 1 54 HIS HD2 3.000 . 3.300 2.973 2.830 3.170 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
372 1 54 HIS HB3 1 54 HIS HD2 4.000 . 5.000 3.997 3.919 4.035 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
373 1 55 SER H 1 55 SER QB 3.000 . 3.900 2.903 2.433 3.416 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
374 1 55 SER HA 1 55 SER QB 2.500 . 3.700 2.354 2.232 2.503 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
375 1 56 LYS H 1 56 LYS QB 2.500 . 3.300 2.490 2.248 2.743 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
376 1 56 LYS H 1 56 LYS QG 4.000 . 6.000 2.491 1.794 3.299 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
377 1 56 LYS HA 1 56 LYS QB 2.500 . 3.700 2.411 2.297 2.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
378 1 56 LYS HA 1 56 LYS QD 4.000 . 7.000 3.900 2.323 4.297 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
379 1 56 LYS HB3 1 57 LYS H 4.000 . 5.000 3.345 1.990 4.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
380 1 57 LYS H 1 57 LYS HA 2.500 . 2.700 2.823 2.796 2.924 0.224 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
381 1 57 LYS H 1 57 LYS QB 2.500 . 3.300 2.458 2.130 2.931 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
382 1 57 LYS H 1 57 LYS QG 4.000 . 7.000 3.089 1.740 4.406 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
383 1 57 LYS H 1 57 LYS QD 4.000 . 7.000 4.082 1.985 5.415 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
384 1 57 LYS HA 1 57 LYS QB 2.500 . 3.700 2.414 2.224 2.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
385 1 57 LYS HA 1 57 LYS QD 4.000 . 7.000 3.745 2.302 4.333 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
386 1 28 ARG HA 1 29 PRO QD 3.000 . 4.300 2.105 2.091 2.118 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
387 1 28 ARG H 1 29 PRO QD 4.000 . 6.000 3.379 3.191 3.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
388 1 29 PRO HB2 1 30 TYR H 4.000 . 5.000 3.193 2.692 4.091 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
389 1 29 PRO QD 1 30 TYR H 4.000 . 6.000 2.735 2.582 3.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
390 1 29 PRO HB3 1 30 TYR H 4.000 . 5.000 4.285 3.970 4.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
391 1 29 PRO HA 1 30 TYR H 4.000 . 5.000 3.484 3.053 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
392 1 29 PRO HD3 1 30 TYR HD2 4.000 . 6.000 5.179 5.000 5.441 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
393 1 29 PRO HD3 1 30 TYR HE2 4.000 . 7.000 5.832 5.550 6.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
394 1 29 PRO QG 1 30 TYR HD2 4.000 . 6.000 4.211 3.876 4.551 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
395 1 29 PRO QG 1 30 TYR HE2 4.000 . 6.000 3.994 3.757 4.336 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
396 1 29 PRO HB2 1 30 TYR QD 4.000 . 8.000 4.300 4.206 4.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
397 1 29 PRO HB2 1 30 TYR QE 4.000 . 7.000 4.583 4.138 4.924 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
398 1 30 TYR H 1 31 HIS H 4.000 . 5.000 4.149 3.489 4.506 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
399 1 30 TYR HB3 1 31 HIS H 4.000 . 6.000 4.012 3.574 4.309 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
400 1 30 TYR HB2 1 31 HIS H 4.000 . 5.000 4.472 4.337 4.522 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
401 1 30 TYR HA 1 31 HIS H 3.000 . 3.500 2.263 2.153 2.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
402 1 30 TYR HD1 1 31 HIS H 4.000 . 6.000 4.493 4.099 4.891 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
403 1 30 TYR HA 1 31 HIS HD2 4.000 . 5.000 4.282 3.496 5.024 0.024 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
404 1 31 HIS HA 1 32 CYS H 3.000 . 3.500 2.216 2.181 2.243 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
405 1 31 HIS HB3 1 32 CYS H 3.000 . 3.500 3.161 3.023 3.377 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
406 1 31 HIS HB2 1 32 CYS H 4.000 . 5.000 4.123 3.866 4.337 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
407 1 32 CYS H 1 33 THR H 4.000 . 5.000 4.660 4.623 4.679 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
408 1 32 CYS HA 1 33 THR H 3.000 . 3.500 2.271 2.193 2.362 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
409 1 33 THR H 1 34 TYR H 4.000 . 5.000 2.701 2.565 2.804 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
410 1 33 THR HA 1 34 TYR H 4.000 . 5.000 3.176 3.002 3.455 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
411 1 33 THR H 1 34 TYR HD1 4.000 . 6.000 2.843 2.527 3.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
412 1 33 THR HB 1 34 TYR HD1 4.000 . 6.000 2.747 2.560 2.941 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
413 1 33 THR HB 1 34 TYR HE1 4.000 . 6.000 2.401 2.326 2.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
414 1 33 THR MG 1 34 TYR HD1 4.000 . 6.500 4.070 3.501 4.374 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
415 1 33 THR MG 1 34 TYR HE1 4.000 . 6.500 3.643 2.888 4.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
416 1 33 THR MG 1 34 TYR H 4.000 . 6.500 4.165 3.565 4.344 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
417 1 33 THR HA 1 34 TYR HD1 4.000 . 5.000 4.406 4.149 4.639 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
418 1 34 TYR H 1 35 CYS H 3.000 . 3.500 2.502 1.931 2.801 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
419 1 34 TYR HA 1 35 CYS H 3.000 . 3.500 3.553 3.523 3.559 0.059 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
420 1 34 TYR QB 1 35 CYS H 3.000 . 3.500 1.903 1.780 2.355 0.020 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
421 1 34 TYR HD1 1 35 CYS H 4.000 . 6.000 3.687 3.636 3.814 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
422 1 35 CYS H 1 36 ASN H 4.000 . 5.000 4.495 4.380 4.627 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
423 1 35 CYS HA 1 36 ASN H 3.000 . 3.500 2.631 2.390 2.813 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
424 1 35 CYS HB3 1 36 ASN H 2.500 . 2.700 1.962 1.784 2.394 0.016 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
425 1 35 CYS HB2 1 36 ASN H 3.000 . 3.500 2.845 2.471 3.355 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
426 1 36 ASN HA 1 37 PHE H 4.000 . 5.000 3.198 3.129 3.327 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
427 1 36 ASN H 1 37 PHE H 4.000 . 6.000 2.075 1.813 2.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
428 1 36 ASN HB3 1 37 PHE H 4.000 . 5.000 3.598 3.386 3.728 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
429 1 37 PHE H 1 38 SER H 4.000 . 5.000 4.619 4.553 4.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
430 1 37 PHE HA 1 38 SER H 2.500 . 2.700 2.333 2.155 2.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
431 1 37 PHE HB2 1 38 SER H 4.000 . 5.000 4.094 3.914 4.424 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
432 1 37 PHE HB3 1 38 SER H 4.000 . 6.000 3.422 3.164 3.921 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
433 1 37 PHE QD 1 38 SER H 4.000 . 7.000 2.921 2.477 3.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
434 1 37 PHE QE 1 38 SER H 4.000 . 7.000 3.909 3.558 4.622 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
435 1 38 SER H 1 39 PHE H 4.000 . 6.000 4.416 4.393 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
436 1 38 SER HA 1 39 PHE H 2.500 . 2.700 2.361 2.214 2.452 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
437 1 38 SER HB3 1 39 PHE H 4.000 . 5.000 3.471 3.245 3.699 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
438 1 38 SER HA 1 39 PHE HE1 4.000 . 5.000 3.217 2.948 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
439 1 38 SER HB2 1 39 PHE H 4.000 . 5.000 3.912 3.702 4.155 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
440 1 38 SER HA 1 39 PHE HD1 3.000 . 3.300 2.824 2.658 3.005 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
441 1 39 PHE H 1 40 LYS H 4.000 . 6.000 4.472 4.439 4.514 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
442 1 39 PHE HA 1 40 LYS H 2.500 . 2.700 2.330 2.290 2.419 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
443 1 39 PHE HB3 1 40 LYS H 3.000 . 3.500 2.721 2.539 2.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
444 1 39 PHE HB2 1 40 LYS H 4.000 . 5.000 3.516 3.367 3.628 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
445 1 39 PHE HD2 1 40 LYS H 4.000 . 5.000 4.504 4.330 4.693 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
446 1 40 LYS H 1 41 THR H 3.000 . 3.500 2.318 2.234 2.430 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
447 1 40 LYS HA 1 41 THR H 4.000 . 5.000 3.407 3.357 3.452 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
448 1 40 LYS HB2 1 41 THR H 4.000 . 5.000 4.186 4.034 4.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
449 1 40 LYS HB3 1 41 THR H 3.000 . 3.500 3.127 2.939 3.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
450 1 40 LYS QB 1 41 THR MG 3.000 . 5.800 2.564 2.461 2.668 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
451 1 41 THR H 1 42 LYS H 4.000 . 5.000 4.484 4.451 4.528 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
452 1 41 THR HB 1 42 LYS H 2.500 . 2.700 2.754 2.720 2.792 0.092 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
453 1 41 THR MG 1 42 LYS H 3.000 . 5.000 4.077 3.982 4.103 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
454 1 41 THR HA 1 42 LYS H 2.500 . 2.700 2.289 2.265 2.310 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
455 1 42 LYS H 1 43 GLY H 3.000 . 3.500 2.457 2.359 2.545 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
456 1 42 LYS HB3 1 43 GLY H 4.000 . 5.000 3.079 2.895 3.287 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
457 1 42 LYS HB2 1 43 GLY H 4.000 . 6.000 4.076 3.924 4.232 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
458 1 42 LYS HA 1 43 GLY H 4.000 . 6.000 3.414 3.353 3.470 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
459 1 43 GLY H 1 44 ASN H 3.000 . 3.500 2.945 2.672 3.153 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
460 1 43 GLY QA 1 44 ASN H 4.000 . 6.000 2.465 2.349 2.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
461 1 44 ASN H 1 45 LEU H 3.000 . 3.500 2.826 2.570 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
462 1 44 ASN HB2 1 45 LEU H 3.000 . 3.500 2.726 2.448 3.133 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
463 1 44 ASN HB3 1 45 LEU H 4.000 . 5.000 3.536 3.238 3.829 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
464 1 44 ASN HA 1 45 LEU H 4.000 . 5.000 3.515 3.417 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
465 1 45 LEU H 1 46 THR H 3.000 . 3.500 2.858 2.719 3.007 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
466 1 45 LEU HA 1 46 THR H 4.000 . 6.000 3.561 3.548 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
467 1 45 LEU HB3 1 46 THR H 2.500 . 2.700 2.224 1.995 2.449 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
468 1 45 LEU HB2 1 46 THR H 4.000 . 5.000 3.595 3.335 3.811 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
469 1 45 LEU HG 1 46 THR H 4.000 . 6.000 4.455 4.315 4.622 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
470 1 45 LEU MD2 1 46 THR H 4.000 . 7.500 4.246 4.028 4.511 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
471 1 45 LEU MD1 1 46 THR H 4.000 . 6.500 2.738 2.457 3.114 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
472 1 46 THR H 1 47 LYS H 2.500 . 2.700 2.705 2.607 2.771 0.071 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
473 1 46 THR HA 1 47 LYS H 4.000 . 5.000 3.510 3.488 3.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
474 1 46 THR HB 1 47 LYS H 2.500 . 2.700 2.716 2.564 2.758 0.058 36 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
475 1 46 THR MG 1 47 LYS H 4.000 . 6.500 3.726 3.349 3.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
476 1 46 THR MG 1 47 LYS HA 4.000 . 6.500 3.796 3.310 4.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
477 1 47 LYS H 1 48 HIS H 2.500 . 2.700 2.649 2.539 2.715 0.015 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
478 1 47 LYS QB 1 48 HIS H 3.000 . 4.500 2.552 2.313 2.866 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
479 1 47 LYS HA 1 48 HIS H 4.000 . 5.000 3.539 3.472 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
480 1 48 HIS H 1 49 MET H 2.500 . 2.700 2.553 2.330 2.688 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
481 1 48 HIS HA 1 49 MET H 4.000 . 6.000 3.483 3.393 3.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
482 1 48 HIS HB2 1 49 MET H 4.000 . 5.000 4.055 3.771 4.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
483 1 48 HIS HB3 1 49 MET H 4.000 . 5.000 2.846 2.335 3.194 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
484 1 48 HIS HD2 1 49 MET ME 4.000 . 7.500 3.739 2.266 5.203 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
485 1 48 HIS HD2 1 49 MET HA 4.000 . 5.000 4.168 3.755 4.866 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
486 1 48 HIS HD2 1 49 MET QG 4.000 . 6.000 3.264 2.865 4.478 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
487 1 48 HIS HD2 1 49 MET H 4.000 . 6.000 4.394 3.762 5.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
488 1 49 MET H 1 50 LYS H 2.500 . 2.700 2.378 2.145 2.689 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
489 1 49 MET HA 1 50 LYS H 4.000 . 6.000 3.493 3.408 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
490 1 49 MET HB2 1 50 LYS H 3.000 . 3.500 2.828 2.545 3.184 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
491 1 49 MET HB3 1 50 LYS H 4.000 . 5.000 3.655 3.341 4.045 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
492 1 50 LYS H 1 51 SER H 3.000 . 3.500 2.811 2.614 3.067 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
493 1 50 LYS HA 1 51 SER H 4.000 . 5.000 3.539 3.344 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
494 1 50 LYS HB3 1 51 SER H 4.000 . 5.000 2.415 2.053 3.316 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
495 1 50 LYS HB2 1 51 SER H 4.000 . 5.000 3.660 3.351 4.050 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
496 1 51 SER H 1 52 LYS H 4.000 . 5.000 4.655 4.602 4.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
497 1 51 SER HA 1 52 LYS H 3.000 . 3.500 2.350 2.212 2.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
498 1 51 SER QB 1 52 LYS H 3.000 . 4.500 3.270 2.614 3.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
499 1 52 LYS H 1 53 ALA H 4.000 . 5.000 2.888 2.453 3.237 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
500 1 52 LYS HA 1 53 ALA H 3.000 . 3.500 3.058 2.815 3.269 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
501 1 52 LYS QB 1 53 ALA H 4.000 . 6.000 3.761 3.464 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
502 1 53 ALA H 1 54 HIS H 4.000 . 5.000 3.455 2.866 3.903 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
503 1 53 ALA HA 1 54 HIS H 4.000 . 5.000 3.486 3.276 3.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
504 1 53 ALA MB 1 54 HIS H 4.000 . 7.500 1.791 1.685 2.032 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
505 1 53 ALA MB 1 54 HIS HE1 4.000 . 7.500 2.960 2.451 3.850 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
506 1 54 HIS H 1 55 SER H 3.000 . 3.500 3.529 3.175 3.663 0.163 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
507 1 54 HIS HA 1 55 SER H 4.000 . 5.000 2.259 2.130 2.436 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
508 1 54 HIS HB2 1 55 SER H 4.000 . 5.000 4.067 3.799 4.256 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
509 1 54 HIS HB3 1 55 SER H 4.000 . 5.000 4.431 4.229 4.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
510 1 55 SER H 1 56 LYS H 3.000 . 3.500 2.578 1.743 3.709 0.209 3 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
511 1 55 SER HA 1 56 LYS H 3.000 . 3.500 2.915 2.163 3.544 0.044 56 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
512 1 55 SER QB 1 56 LYS H 3.000 . 4.500 3.467 1.791 4.067 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
513 1 56 LYS H 1 57 LYS H 3.000 . 3.500 3.129 1.786 3.633 0.133 3 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
514 1 56 LYS HA 1 57 LYS H 3.000 . 3.500 3.164 2.567 3.544 0.044 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
515 1 28 ARG HA 1 30 TYR HD2 4.000 . 5.000 4.320 4.075 4.464 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
516 1 29 PRO HA 1 31 HIS HD2 4.000 . 5.000 3.108 2.341 3.752 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
517 1 32 CYS HB3 1 35 CYS H 4.000 . 5.000 3.099 2.656 3.318 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
518 1 32 CYS HB2 1 35 CYS H 4.000 . 5.000 3.961 3.737 4.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
519 1 32 CYS HB3 1 35 CYS HB3 4.000 . 5.000 4.109 4.018 4.283 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
520 1 32 CYS HB3 1 36 ASN H 4.000 . 6.000 4.588 4.217 4.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
521 1 32 CYS HB3 1 37 PHE HB3 4.000 . 5.000 4.098 3.909 4.281 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
522 1 32 CYS HB2 1 37 PHE HB3 4.000 . 5.000 4.261 4.055 4.419 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
523 1 32 CYS HB3 1 37 PHE H 3.000 . 3.500 3.547 3.512 3.572 0.072 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
524 1 32 CYS H 1 37 PHE H 4.000 . 5.000 4.314 4.204 4.435 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
525 1 33 THR H 1 35 CYS H 4.000 . 6.000 4.734 4.172 5.077 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
526 1 33 THR H 1 45 LEU QD 4.000 . 7.400 4.119 3.837 4.399 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
527 1 37 PHE HB3 1 39 PHE HZ . . 3.300 3.301 3.150 3.380 0.080 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
528 1 37 PHE HA 1 39 PHE HZ 4.000 . 6.000 6.046 5.892 6.096 0.096 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
529 1 37 PHE HD2 1 39 PHE HZ 4.000 . 5.000 2.750 2.435 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
530 1 37 PHE HB3 1 39 PHE HE1 4.000 . 5.000 3.874 3.741 4.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
531 1 37 PHE HA 1 39 PHE HE1 4.000 . 6.000 6.033 5.967 6.081 0.081 29 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
532 1 37 PHE HE2 1 39 PHE HZ 4.000 . 5.000 4.520 4.219 4.838 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
533 1 39 PHE HB3 1 41 THR H 3.000 . 3.500 2.793 2.691 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
534 1 39 PHE HB2 1 41 THR H 4.000 . 5.000 3.023 2.854 3.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
535 1 39 PHE HB3 1 44 ASN HA 4.000 . 6.000 5.255 5.080 5.329 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
536 1 39 PHE HB2 1 44 ASN HB3 4.000 . 6.000 4.169 3.830 4.647 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
537 1 39 PHE HA 1 44 ASN HB3 4.000 . 5.000 5.037 4.808 5.086 0.086 3 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
538 1 39 PHE HB3 1 44 ASN HB2 3.000 . 3.300 2.363 2.317 2.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
539 1 39 PHE HB3 1 44 ASN HB3 4.000 . 5.000 3.115 2.814 3.328 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
540 1 39 PHE HD2 1 44 ASN HB3 3.000 . 3.300 2.343 2.319 2.404 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
541 1 39 PHE HD2 1 44 ASN HB2 4.000 . 5.000 3.121 2.896 3.392 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
542 1 41 THR HA 1 43 GLY H 4.000 . 5.000 3.902 3.847 4.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
543 1 41 THR HB 1 43 GLY H 2.500 . 2.700 2.759 2.715 2.793 0.093 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
544 1 41 THR MG 1 43 GLY H 4.000 . 6.500 4.180 4.087 4.301 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
545 1 41 THR H 1 44 ASN HB3 4.000 . 6.000 5.192 4.851 5.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
546 1 41 THR H 1 44 ASN HB2 4.000 . 5.000 3.652 3.366 3.880 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
547 1 41 THR HB 1 44 ASN H 4.000 . 5.000 4.159 3.869 4.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
548 1 41 THR HA 1 44 ASN H 4.000 . 6.000 5.392 5.154 5.743 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
549 1 41 THR H 1 44 ASN H 4.000 . 5.000 4.543 4.369 4.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
550 1 41 THR HB 1 44 ASN HD22 4.000 . 7.000 6.141 5.053 7.047 0.047 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
551 1 41 THR MG 1 44 ASN H 4.000 . 6.500 4.156 4.007 4.438 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
552 1 41 THR MG 1 44 ASN HD22 4.000 . 7.500 4.345 3.270 5.464 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
553 1 41 THR MG 1 44 ASN HD21 4.000 . 7.500 4.154 2.539 6.169 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
554 1 42 LYS HA 1 44 ASN H 4.000 . 6.000 4.904 4.524 5.282 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
555 1 42 LYS HA 1 45 LEU H 4.000 . 5.000 3.470 3.202 3.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
556 1 42 LYS HA 1 45 LEU HB3 3.000 . 3.300 2.745 2.329 3.314 0.014 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
557 1 42 LYS HA 1 45 LEU HB2 4.000 . 5.000 2.843 2.399 3.218 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
558 1 42 LYS HA 1 45 LEU HG 4.000 . 6.000 3.950 3.767 4.217 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
559 1 42 LYS HA 1 46 THR H 4.000 . 6.000 4.268 3.826 4.721 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
560 1 43 GLY H 1 45 LEU H 4.000 . 5.000 3.901 3.633 4.140 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
561 1 43 GLY QA 1 45 LEU H 4.000 . 7.000 3.824 3.559 4.064 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
562 1 43 GLY QA 1 46 THR HB 4.000 . 6.000 3.351 2.978 3.968 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
563 1 43 GLY QA 1 46 THR MG 4.000 . 8.500 4.542 4.257 5.124 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
564 1 43 GLY QA 1 46 THR H 4.000 . 7.000 3.560 3.394 3.777 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
565 1 43 GLY QA 1 47 LYS H 4.000 . 7.000 4.320 4.132 4.440 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
566 1 44 ASN H 1 46 THR H 4.000 . 6.000 4.649 4.439 4.858 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
567 1 44 ASN HA 1 46 THR H 4.000 . 6.000 4.626 4.341 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
568 1 44 ASN HA 1 47 LYS H 3.000 . 3.300 3.317 3.195 3.369 0.069 3 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
569 1 44 ASN HA 1 47 LYS QB 3.000 . 4.300 2.425 2.269 2.644 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
570 1 44 ASN HA 1 47 LYS QG 4.000 . 7.000 4.037 2.490 4.700 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
571 1 44 ASN HA 1 47 LYS QD 4.000 . 7.000 3.551 2.322 5.276 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
572 1 44 ASN HA 1 48 HIS H 4.000 . 6.000 4.268 3.952 4.546 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
573 1 45 LEU H 1 47 LYS H 4.000 . 6.000 3.963 3.782 4.220 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
574 1 45 LEU HA 1 47 LYS H 4.000 . 6.000 4.188 4.024 4.371 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
575 1 45 LEU HA 1 48 HIS H 4.000 . 5.000 3.428 3.313 3.646 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
576 1 45 LEU HA 1 48 HIS HD2 4.000 . 5.000 4.849 4.583 5.031 0.031 14 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
577 1 45 LEU HA 1 48 HIS HB3 4.000 . 5.000 3.014 2.757 3.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
578 1 45 LEU HA 1 48 HIS HB2 4.000 . 5.000 3.880 3.603 4.374 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
579 1 45 LEU MD2 1 48 HIS HB3 3.000 . 4.800 3.105 2.648 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
580 1 45 LEU MD1 1 48 HIS HB3 4.000 . 7.500 3.824 3.054 4.407 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
581 1 45 LEU MD2 1 48 HIS HB2 4.000 . 7.500 4.315 3.887 4.828 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
582 1 45 LEU MD2 1 48 HIS H 4.000 . 6.500 4.334 3.852 4.867 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
583 1 45 LEU MD2 1 48 HIS HD2 3.000 . 4.800 3.468 3.149 3.803 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
584 1 45 LEU HA 1 49 MET H 4.000 . 6.000 4.465 3.930 4.717 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
585 1 45 LEU MD1 1 49 MET H 4.000 . 6.500 3.573 2.859 3.849 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
586 1 45 LEU MD1 1 49 MET QG 3.000 . 5.800 2.191 1.922 2.627 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
587 1 45 LEU MD2 1 49 MET QG 4.000 . 7.500 3.007 2.218 3.989 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
588 1 46 THR H 1 48 HIS H 4.000 . 5.000 4.308 4.083 4.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
589 1 46 THR HA 1 48 HIS H 4.000 . 6.000 4.366 4.021 4.783 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
590 1 46 THR HA 1 49 MET H 4.000 . 5.000 3.415 3.156 3.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
591 1 46 THR HA 1 49 MET HB2 3.000 . 3.300 2.647 2.369 2.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
592 1 46 THR HA 1 49 MET HB3 4.000 . 5.000 4.236 3.881 4.522 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
593 1 46 THR HA 1 49 MET QG 4.000 . 6.000 3.546 2.571 4.441 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
594 1 46 THR HA 1 49 MET ME 4.000 . 7.500 5.326 4.861 5.843 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
595 1 46 THR HA 1 50 LYS H 4.000 . 6.000 4.041 3.730 4.326 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
596 1 47 LYS HA 1 49 MET H 4.000 . 6.000 4.181 3.725 4.974 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
597 1 47 LYS H 1 49 MET H 4.000 . 5.000 3.996 3.759 4.355 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
598 1 47 LYS HA 1 50 LYS H 4.000 . 5.000 3.400 3.139 3.796 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
599 1 47 LYS HA 1 50 LYS HB2 3.000 . 3.300 2.939 2.419 3.312 0.012 56 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
600 1 47 LYS HA 1 50 LYS QG 4.000 . 6.000 4.540 3.790 4.947 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
601 1 47 LYS HA 1 50 LYS QD 4.000 . 6.000 3.927 3.135 5.295 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
602 1 47 LYS HA 1 50 LYS HB3 4.000 . 5.000 3.076 2.636 3.557 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
603 1 47 LYS HA 1 51 SER H 4.000 . 6.000 4.511 3.806 5.006 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
604 1 48 HIS H 1 50 LYS H 4.000 . 6.000 4.017 3.742 4.364 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
605 1 48 HIS HA 1 51 SER H 4.000 . 5.000 3.993 3.605 4.302 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
606 1 48 HIS HA 1 51 SER QB 3.000 . 4.300 3.646 3.249 3.923 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
607 1 48 HIS HE1 1 53 ALA MB 4.000 . 6.500 3.370 3.038 3.911 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
608 1 49 MET HA 1 51 SER H 4.000 . 6.000 4.323 3.344 4.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
609 1 49 MET H 1 51 SER H 4.000 . 5.000 4.297 3.864 4.727 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
610 1 49 MET HA 1 53 ALA MB 4.000 . 7.500 3.962 2.656 4.622 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
611 1 49 MET ME 1 54 HIS HD2 4.000 . 6.500 4.143 2.447 4.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
612 1 51 SER H 1 53 ALA H 4.000 . 5.000 4.493 4.153 4.747 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
613 1 51 SER HA 1 53 ALA H 4.000 . 5.000 3.885 3.656 4.083 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
614 1 51 SER QB 1 53 ALA MB 4.000 . 7.500 2.794 2.507 3.321 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
615 1 51 SER QB 1 53 ALA H 4.000 . 6.000 2.638 2.256 2.958 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
616 1 52 LYS HA 1 54 HIS H 4.000 . 6.000 5.064 4.401 5.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
617 1 52 LYS HA 1 55 SER H 4.000 . 6.000 4.853 4.225 5.885 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
618 1 28 ARG HB2 1 38 SER HB2 4.000 . 5.000 3.793 3.672 3.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
619 1 28 ARG HB2 1 38 SER HB3 4.000 . 6.000 2.314 2.294 2.335 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
620 1 28 ARG QG 1 38 SER HB3 3.000 . 4.300 3.829 3.681 4.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
621 1 28 ARG HA 1 38 SER HB2 4.000 . 6.000 6.010 5.811 6.106 0.106 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
622 1 28 ARG HA 1 39 PHE HA 4.000 . 5.000 4.891 4.612 5.048 0.048 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
623 1 28 ARG QG 1 39 PHE HA 3.000 . 4.300 2.797 2.354 3.132 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
624 1 28 ARG HB3 1 39 PHE HA 4.000 . 5.000 3.443 3.090 3.662 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
625 1 28 ARG HB2 1 39 PHE HA 4.000 . 5.000 4.784 4.417 5.012 0.012 39 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
626 1 28 ARG QD 1 39 PHE HA 3.000 . 4.300 3.246 2.322 3.653 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
627 1 28 ARG QG 1 39 PHE H 4.000 . 6.000 4.055 3.912 4.284 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
628 1 28 ARG HB3 1 39 PHE H 4.000 . 5.000 2.826 2.613 3.060 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
629 1 28 ARG HA 1 40 LYS HB3 4.000 . 5.000 5.052 4.999 5.107 0.107 41 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
630 1 28 ARG HB2 1 40 LYS HA 4.000 . 5.000 4.929 4.761 5.044 0.044 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
631 1 28 ARG HA 1 40 LYS HB2 4.000 . 5.000 3.796 3.714 3.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
632 1 28 ARG HA 1 40 LYS QG 4.000 . 6.000 4.796 4.401 4.923 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
633 1 28 ARG HA 1 40 LYS QD 3.000 . 4.300 3.009 2.717 3.285 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
634 1 28 ARG QG 1 40 LYS HA 4.000 . 6.000 2.823 2.559 3.087 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
635 1 28 ARG HA 1 40 LYS HA 3.000 . 3.300 2.366 2.307 2.453 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
636 1 28 ARG HB2 1 40 LYS HB2 4.000 . 6.000 5.511 5.433 5.575 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
637 1 28 ARG QG 1 40 LYS H 4.000 . 6.000 2.824 2.588 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
638 1 28 ARG QG 1 38 SER H 4.000 . 6.000 5.385 5.226 5.536 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
639 1 28 ARG QG 1 40 LYS HB3 3.000 . 4.300 3.804 3.700 3.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
640 1 29 PRO QD 1 40 LYS HA 4.000 . 6.000 2.766 2.664 2.897 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
641 1 29 PRO QD 1 40 LYS QG 4.000 . 7.000 4.588 3.994 4.716 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
642 1 30 TYR HB3 1 39 PHE H 4.000 . 6.000 3.550 3.334 3.727 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
643 1 30 TYR HB2 1 39 PHE H 3.000 . 3.500 2.480 2.256 2.639 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
644 1 30 TYR HB3 1 39 PHE HB3 4.000 . 6.000 5.057 4.803 5.365 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
645 1 30 TYR HB3 1 39 PHE HB2 4.000 . 6.000 3.299 3.065 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
646 1 30 TYR HB2 1 39 PHE HB3 4.000 . 6.000 4.174 3.977 4.376 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
647 1 30 TYR HB2 1 39 PHE HB2 4.000 . 6.000 2.536 2.343 2.766 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
648 1 30 TYR H 1 39 PHE H 4.000 . 5.000 3.657 3.284 3.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
649 1 30 TYR HD2 1 39 PHE H 4.000 . 5.000 4.344 4.163 4.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
650 1 30 TYR HD2 1 40 LYS HA 4.000 . 5.000 3.176 3.044 3.359 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
651 1 30 TYR HE2 1 40 LYS HA 4.000 . 6.000 4.376 4.122 4.713 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
652 1 30 TYR HE2 1 40 LYS QD 4.000 . 6.000 4.216 3.886 5.085 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
653 1 30 TYR HD2 1 40 LYS QD 4.000 . 6.000 4.246 4.112 4.785 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
654 1 30 TYR HD2 1 40 LYS H 4.000 . 5.000 4.381 4.174 4.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
655 1 30 TYR HD2 1 41 THR HA 3.000 . 3.300 3.320 3.260 3.374 0.074 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
656 1 30 TYR HE2 1 41 THR HA 3.000 . 3.300 2.426 2.335 2.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
657 1 30 TYR HD2 1 41 THR HB 4.000 . 6.000 5.483 5.353 5.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
658 1 30 TYR HE2 1 41 THR HB 4.000 . 5.000 4.771 4.648 4.964 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
659 1 30 TYR HD2 1 41 THR MG 4.000 . 6.500 4.590 4.467 4.706 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
660 1 30 TYR HE2 1 41 THR MG 4.000 . 6.500 4.419 4.201 4.621 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
661 1 30 TYR HB3 1 41 THR HA 4.000 . 6.000 6.042 6.010 6.093 0.093 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
662 1 30 TYR HD1 1 42 LYS HB3 4.000 . 6.000 5.917 5.633 6.028 0.028 4 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
663 1 30 TYR HE1 1 42 LYS HB3 4.000 . 5.000 4.813 4.475 5.011 0.011 15 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
664 1 30 TYR HD1 1 42 LYS HB2 4.000 . 5.000 4.418 4.089 4.680 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
665 1 30 TYR HE1 1 42 LYS HB2 4.000 . 5.000 3.111 2.785 3.346 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
666 1 30 TYR HD1 1 42 LYS H 4.000 . 6.000 5.704 5.559 5.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
667 1 30 TYR HE1 1 42 LYS H 4.000 . 5.000 4.950 4.725 5.036 0.036 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
668 1 30 TYR HD1 1 42 LYS QG 4.000 . 6.000 4.095 3.172 5.156 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
669 1 30 TYR HE1 1 42 LYS QG 4.000 . 6.000 3.648 2.626 4.448 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
670 1 30 TYR HD1 1 42 LYS QD 4.000 . 7.000 4.611 2.708 6.203 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
671 1 30 TYR HE1 1 42 LYS QD 4.000 . 7.000 3.508 2.201 5.414 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
672 1 30 TYR HD1 1 42 LYS HA 4.000 . 5.000 3.770 3.533 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
673 1 30 TYR HE1 1 42 LYS HA 4.000 . 5.000 4.030 3.645 4.288 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
674 1 30 TYR HA 1 45 LEU MD2 4.000 . 7.500 4.147 3.511 4.708 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
675 1 30 TYR HD1 1 45 LEU HB3 4.000 . 6.000 4.777 4.154 5.392 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
676 1 30 TYR HD1 1 45 LEU HB2 4.000 . 6.000 4.213 3.789 4.491 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
677 1 30 TYR HE1 1 45 LEU HB2 4.000 . 6.000 5.785 5.412 6.039 0.039 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
678 1 30 TYR HD1 1 45 LEU HG 4.000 . 6.000 3.487 2.941 4.021 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
679 1 30 TYR HE1 1 45 LEU HG 4.000 . 6.000 5.341 4.804 5.827 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
680 1 30 TYR HD1 1 45 LEU MD2 4.000 . 6.500 4.264 3.679 4.813 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
681 1 30 TYR H 1 40 LYS HA 4.000 . 5.000 4.080 3.882 4.655 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
682 1 30 TYR HD2 1 41 THR H 4.000 . 5.000 3.240 2.987 3.490 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
683 1 30 TYR HB2 1 39 PHE HD1 4.000 . 5.000 3.003 2.782 3.144 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
684 1 30 TYR HB3 1 45 LEU MD2 4.000 . 6.500 2.731 2.209 3.205 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
685 1 30 TYR HA 1 45 LEU HG 4.000 . 5.000 4.446 4.042 5.018 0.018 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
686 1 31 HIS HE1 1 38 SER QB 3.000 . 4.300 2.863 2.357 3.339 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
687 1 31 HIS HD2 1 38 SER QB 4.000 . 6.000 4.494 3.019 5.293 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
688 1 31 HIS HA 1 38 SER HA 3.000 . 3.300 2.330 2.295 2.510 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
689 1 31 HIS HA 1 38 SER HB2 4.000 . 5.000 2.928 2.338 3.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
690 1 31 HIS HB3 1 38 SER HA 4.000 . 6.000 4.600 4.356 5.049 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
691 1 31 HIS HB2 1 38 SER HA 4.000 . 6.000 5.316 5.193 5.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
692 1 31 HIS HA 1 38 SER HB3 4.000 . 5.000 4.221 3.772 4.745 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
693 1 31 HIS HA 1 39 PHE H 4.000 . 5.000 3.719 3.542 3.931 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
694 1 31 HIS HA 1 39 PHE HD1 4.000 . 5.000 3.933 3.464 4.344 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
695 1 31 HIS HA 1 39 PHE HE1 4.000 . 5.000 4.099 3.497 4.634 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
696 1 31 HIS HA 1 45 LEU MD2 4.000 . 7.500 4.155 3.626 4.607 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
697 1 31 HIS H 1 45 LEU MD2 4.000 . 6.500 4.315 3.442 5.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
698 1 32 CYS H 1 38 SER HA 3.000 . 3.500 3.255 3.012 3.494 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
699 1 32 CYS HB2 1 39 PHE HE1 3.000 . 3.300 3.108 2.875 3.329 0.029 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
700 1 32 CYS HB3 1 39 PHE HE1 4.000 . 5.000 4.151 3.838 4.452 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
701 1 32 CYS HB3 1 39 PHE HZ 4.000 . 6.000 5.174 4.527 5.643 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
702 1 32 CYS HB2 1 39 PHE HZ 4.000 . 5.000 4.101 3.386 4.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
703 1 32 CYS H 1 39 PHE HD1 4.000 . 5.000 4.494 4.252 4.786 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
704 1 32 CYS HA 1 39 PHE HE1 4.000 . 5.000 3.991 3.554 4.312 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
705 1 32 CYS HA 1 45 LEU HA 4.000 . 6.000 5.779 5.216 6.043 0.043 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
706 1 32 CYS HA 1 45 LEU MD2 3.000 . 4.800 2.866 2.394 3.240 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
707 1 32 CYS HA 1 45 LEU MD1 4.000 . 6.500 4.404 3.598 5.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
708 1 32 CYS HB3 1 45 LEU MD2 4.000 . 7.500 4.745 4.456 4.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
709 1 32 CYS HB2 1 45 LEU MD2 4.000 . 6.500 3.639 3.387 3.946 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
710 1 32 CYS HB2 1 45 LEU MD1 4.000 . 7.500 5.311 4.561 5.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
711 1 32 CYS HB3 1 48 HIS HD2 4.000 . 5.000 4.069 3.981 4.273 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
712 1 32 CYS HB2 1 48 HIS HD2 4.000 . 5.000 2.427 2.326 2.665 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
713 1 32 CYS HA 1 48 HIS HD2 4.000 . 5.000 3.759 3.517 3.999 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
714 1 32 CYS HA 1 49 MET ME 4.000 . 6.500 3.225 2.276 4.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
715 1 32 CYS H 1 39 PHE HE1 4.000 . 5.000 3.341 2.771 3.778 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
716 1 34 TYR HD1 1 49 MET ME 3.000 . 4.800 3.144 2.298 3.969 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
717 1 34 TYR HE1 1 49 MET ME 3.000 . 4.800 2.799 2.382 3.196 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
718 1 34 TYR QB 1 54 HIS HE1 4.000 . 5.000 3.903 3.595 4.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
719 1 34 TYR QB 1 54 HIS HD2 4.000 . 6.000 2.646 2.424 3.009 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
720 1 34 TYR HE2 1 54 HIS HB2 4.000 . 6.000 3.619 3.104 4.151 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
721 1 34 TYR HD1 1 54 HIS HB2 4.000 . 5.000 4.593 4.373 4.804 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
722 1 34 TYR HE1 1 54 HIS HB2 4.000 . 5.000 4.720 4.462 5.007 0.007 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
723 1 34 TYR HE2 1 55 SER HA 4.000 . 5.000 5.038 4.943 5.063 0.063 58 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
724 1 35 CYS HA 1 54 HIS HE1 4.000 . 6.000 5.231 4.900 5.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
725 1 35 CYS HB2 1 54 HIS HE1 4.000 . 5.000 5.109 5.050 5.136 0.136 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
726 1 35 CYS HB3 1 54 HIS HE1 4.000 . 5.000 5.043 4.957 5.077 0.077 59 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
727 1 39 PHE HB2 1 45 LEU HB3 4.000 . 6.000 4.855 4.141 5.611 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
728 1 39 PHE HB2 1 45 LEU HB2 4.000 . 5.000 3.290 2.687 3.904 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
729 1 39 PHE HB3 1 45 LEU HB2 4.000 . 5.000 4.612 3.915 5.096 0.096 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
730 1 39 PHE HB3 1 45 LEU MD2 4.000 . 6.500 4.960 4.504 5.257 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
731 1 39 PHE HB2 1 45 LEU MD2 4.000 . 6.500 3.802 3.325 4.189 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
732 1 39 PHE H 1 45 LEU MD2 4.000 . 6.500 4.100 3.708 4.500 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
733 1 39 PHE HB2 1 45 LEU HA 4.000 . 6.000 4.169 3.749 4.519 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
734 1 39 PHE HZ 1 45 LEU MD2 4.000 . 6.500 4.094 3.664 4.719 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
735 1 39 PHE HD1 1 45 LEU MD2 3.000 . 4.800 2.354 2.239 2.745 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
736 1 39 PHE HD1 1 45 LEU HB2 4.000 . 5.000 3.455 2.732 4.189 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
737 1 39 PHE HD1 1 45 LEU HG 4.000 . 6.000 4.527 3.967 4.997 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
738 1 39 PHE HE1 1 45 LEU MD2 4.000 . 6.500 2.517 2.267 2.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
739 1 39 PHE HZ 1 45 LEU HA 4.000 . 5.000 4.324 4.027 4.701 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
740 1 39 PHE HD1 1 45 LEU HA 4.000 . 5.000 3.517 3.075 4.041 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
741 1 39 PHE QE 1 45 LEU HA 4.000 . 8.000 3.495 3.094 3.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
742 1 39 PHE HZ 1 48 HIS HB2 4.000 . 5.000 2.694 2.363 3.013 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
743 1 39 PHE HZ 1 48 HIS HB3 3.000 . 3.300 3.363 3.331 3.425 0.125 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
744 1 39 PHE HZ 1 48 HIS HA 4.000 . 6.000 4.983 4.614 5.229 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
745 1 39 PHE HE1 1 48 HIS HD2 4.000 . 5.000 3.760 3.598 3.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
746 1 39 PHE HZ 1 48 HIS HD2 4.000 . 5.000 3.857 3.258 4.310 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
747 1 39 PHE HE2 1 48 HIS HB2 4.000 . 5.000 3.382 2.849 3.768 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
748 1 39 PHE HE1 1 48 HIS HB2 4.000 . 5.000 4.249 3.697 4.796 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
749 1 48 HIS HD2 1 54 HIS HD2 4.000 . 5.000 4.899 4.518 5.056 0.056 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
750 1 27 VAL H 1 28 ARG H 4.000 . 5.000 3.150 2.947 3.251 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
751 1 27 VAL HA 1 28 ARG H 2.500 . 2.700 2.725 2.666 2.797 0.097 9 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
752 1 27 VAL HB 1 28 ARG H 4.000 . 5.000 4.612 4.577 4.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
753 1 27 VAL MG2 1 28 ARG H 3.000 . 5.000 3.995 3.965 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
754 1 27 VAL MG2 1 28 ARG HA 4.000 . 6.500 3.999 3.926 4.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
755 1 23 THR HA 1 28 ARG H 4.000 . 6.000 5.931 5.625 6.169 0.169 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
756 1 23 THR MG 1 28 ARG H 4.000 . 6.500 5.343 5.239 5.419 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
757 1 23 THR HA 1 28 ARG HE 4.000 . 6.000 4.306 2.824 6.076 0.076 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
758 1 27 VAL MG2 1 29 PRO HD3 3.000 . 5.800 2.972 2.833 3.256 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
759 1 27 VAL MG2 1 29 PRO HD2 3.000 . 5.800 4.095 3.975 4.332 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
760 1 27 VAL MG2 1 29 PRO QG 4.000 . 7.500 3.840 3.679 4.273 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
761 1 23 THR MG 1 40 LYS HA 4.000 . 6.500 3.920 3.700 4.048 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
762 1 23 THR MG 1 40 LYS HB3 3.000 . 4.800 2.623 2.314 2.856 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
763 1 23 THR MG 1 40 LYS HB2 3.000 . 4.800 2.055 2.018 2.125 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
764 1 23 THR MG 1 40 LYS QE 4.000 . 7.500 4.152 2.660 5.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
765 1 23 THR MG 1 40 LYS QD 4.000 . 7.500 3.268 2.587 3.768 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
766 1 23 THR MG 1 40 LYS H 4.000 . 6.500 3.397 2.483 3.946 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
767 1 23 THR MG 1 40 LYS QG 3.000 . 5.800 2.884 2.136 3.560 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
768 1 23 THR MG 1 41 THR MG 3.000 . 6.300 4.273 4.060 4.407 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
769 1 23 THR MG 1 39 PHE HA 4.000 . 6.500 4.302 3.363 5.053 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
770 1 27 VAL MG2 1 40 LYS QE 4.000 . 7.500 2.233 2.088 2.338 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
771 1 27 VAL MG1 1 40 LYS QE 4.000 . 7.500 3.223 2.593 3.703 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
772 1 27 VAL HB 1 40 LYS QE 4.000 . 6.000 4.901 4.557 5.136 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
773 1 27 VAL MG2 1 40 LYS QD 4.000 . 7.500 2.685 2.262 2.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
774 1 27 VAL HA 1 40 LYS QD 4.000 2.800 6.000 4.943 4.550 5.057 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6]" 3
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