NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
605489 |
2n5q   |
25725 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n5q
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 585
_Distance_constraint_stats_list.Viol_count 882
_Distance_constraint_stats_list.Viol_total 499.683
_Distance_constraint_stats_list.Viol_max 0.156
_Distance_constraint_stats_list.Viol_rms 0.0104
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0283
_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 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LEU 0.287 0.020 19 0 "[ . 1 . 2]"
1 3 CYS 0.173 0.023 19 0 "[ . 1 . 2]"
1 4 LEU 1.210 0.032 18 0 "[ . 1 . 2]"
1 5 GLN 0.468 0.032 3 0 "[ . 1 . 2]"
1 6 CYS 1.344 0.056 19 0 "[ . 1 . 2]"
1 7 ARG 2.141 0.056 19 0 "[ . 1 . 2]"
1 8 SER 1.205 0.055 11 0 "[ . 1 . 2]"
1 9 ASN 0.768 0.043 20 0 "[ . 1 . 2]"
1 10 SER 1.433 0.043 20 0 "[ . 1 . 2]"
1 11 ASP 0.602 0.024 18 0 "[ . 1 . 2]"
1 12 CYS 1.361 0.037 11 0 "[ . 1 . 2]"
1 13 ASN 1.473 0.050 16 0 "[ . 1 . 2]"
1 14 ILE 0.986 0.086 5 0 "[ . 1 . 2]"
1 15 ILE 5.291 0.103 8 0 "[ . 1 . 2]"
1 16 TRP 7.967 0.156 8 0 "[ . 1 . 2]"
1 17 ARG 0.776 0.047 3 0 "[ . 1 . 2]"
1 18 ILE 4.423 0.127 3 0 "[ . 1 . 2]"
1 19 CYS 1.221 0.080 18 0 "[ . 1 . 2]"
1 20 ARG 2.400 0.073 6 0 "[ . 1 . 2]"
1 21 ASP 0.001 0.001 3 0 "[ . 1 . 2]"
1 22 GLY 1.076 0.057 14 0 "[ . 1 . 2]"
1 23 CYS 0.456 0.022 3 0 "[ . 1 . 2]"
1 24 CYS 1.095 0.048 20 0 "[ . 1 . 2]"
1 25 ASN 4.852 0.127 3 0 "[ . 1 . 2]"
1 26 VAL 5.838 0.156 8 0 "[ . 1 . 2]"
1 27 ILE 1.095 0.151 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLN HA 1 1 GLN QG 3.000 . 4.500 2.308 2.088 2.848 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLN HA 1 2 LEU H 2.500 . 3.000 2.347 2.143 2.836 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLN QB 1 2 LEU H 3.000 . 4.500 3.509 1.993 4.047 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLN QG 1 2 LEU H 4.000 . 6.000 3.577 1.988 4.477 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLN QB 1 2 LEU HA 4.000 . 6.000 4.314 3.958 4.651 . 0 0 "[ . 1 . 2]" 1
6 1 2 LEU H 1 2 LEU HA 3.000 . 3.500 2.934 2.873 2.945 . 0 0 "[ . 1 . 2]" 1
7 1 2 LEU H 1 2 LEU MD2 4.000 . 6.000 3.559 2.158 4.840 . 0 0 "[ . 1 . 2]" 1
8 1 2 LEU H 1 2 LEU MD1 4.000 . 6.000 3.996 3.165 4.609 . 0 0 "[ . 1 . 2]" 1
9 1 2 LEU H 1 3 CYS HA 4.000 . 5.000 4.584 4.273 4.918 . 0 0 "[ . 1 . 2]" 1
10 1 2 LEU HA 1 2 LEU MD2 4.000 . 6.000 3.165 2.013 3.797 . 0 0 "[ . 1 . 2]" 1
11 1 2 LEU HA 1 2 LEU MD1 4.000 . 6.000 2.643 1.945 4.111 . 0 0 "[ . 1 . 2]" 1
12 1 2 LEU HA 1 3 CYS H 2.500 . 3.000 2.340 2.162 2.681 . 0 0 "[ . 1 . 2]" 1
13 1 2 LEU HA 1 3 CYS QB 4.000 . 6.000 4.228 4.077 4.536 . 0 0 "[ . 1 . 2]" 1
14 1 2 LEU HA 1 4 LEU H 5.000 . 6.000 4.524 4.144 4.984 . 0 0 "[ . 1 . 2]" 1
15 1 2 LEU QB 1 2 LEU MD2 3.000 . 4.500 2.132 1.971 2.383 . 0 0 "[ . 1 . 2]" 1
16 1 2 LEU QB 1 2 LEU MD1 3.000 . 4.500 2.187 1.927 2.317 . 0 0 "[ . 1 . 2]" 1
17 1 2 LEU QB 1 3 CYS H 4.000 . 6.000 3.905 3.671 4.002 . 0 0 "[ . 1 . 2]" 1
18 1 2 LEU QB 1 15 ILE MG 4.000 . 6.000 5.570 4.883 6.007 0.007 4 0 "[ . 1 . 2]" 1
19 1 2 LEU QB 1 15 ILE MD 4.000 . 6.000 6.012 6.006 6.020 0.020 19 0 "[ . 1 . 2]" 1
20 1 2 LEU QB 1 16 TRP HE1 4.000 . 6.000 3.911 3.417 4.518 . 0 0 "[ . 1 . 2]" 1
21 1 2 LEU QB 1 16 TRP HZ2 4.000 . 6.000 3.643 3.381 3.787 . 0 0 "[ . 1 . 2]" 1
22 1 2 LEU QB 1 16 TRP HH2 4.000 . 6.000 4.538 4.086 4.956 . 0 0 "[ . 1 . 2]" 1
23 1 2 LEU MD2 1 3 CYS H 4.000 . 6.000 4.588 2.711 5.155 . 0 0 "[ . 1 . 2]" 1
24 1 2 LEU MD1 1 3 CYS H 4.000 . 6.000 4.132 3.050 5.200 . 0 0 "[ . 1 . 2]" 1
25 1 2 LEU MD2 1 3 CYS QB 4.000 . 6.000 5.709 3.817 6.004 0.004 6 0 "[ . 1 . 2]" 1
26 1 2 LEU MD1 1 3 CYS QB 4.000 . 6.000 5.281 4.069 6.004 0.004 4 0 "[ . 1 . 2]" 1
27 1 3 CYS H 1 3 CYS HA 3.000 . 3.500 2.836 2.803 2.863 . 0 0 "[ . 1 . 2]" 1
28 1 3 CYS H 1 4 LEU H 4.000 . 5.000 3.844 3.686 4.103 . 0 0 "[ . 1 . 2]" 1
29 1 3 CYS HA 1 4 LEU H 2.500 . 3.000 2.412 2.266 2.497 . 0 0 "[ . 1 . 2]" 1
30 1 3 CYS HA 1 4 LEU QB 4.000 . 6.000 4.267 4.199 4.320 . 0 0 "[ . 1 . 2]" 1
31 1 3 CYS HA 1 23 CYS HA 4.000 . 5.000 4.481 4.351 4.596 . 0 0 "[ . 1 . 2]" 1
32 1 3 CYS HA 1 23 CYS QB 3.000 . 4.500 2.103 1.952 2.313 . 0 0 "[ . 1 . 2]" 1
33 1 3 CYS HA 1 24 CYS H 4.000 . 5.000 3.978 3.894 4.110 . 0 0 "[ . 1 . 2]" 1
34 1 3 CYS QB 1 4 LEU H 3.000 . 4.500 3.973 3.941 3.988 . 0 0 "[ . 1 . 2]" 1
35 1 3 CYS QB 1 5 GLN QE 4.000 . 6.000 4.993 4.343 5.397 . 0 0 "[ . 1 . 2]" 1
36 1 3 CYS QB 1 5 GLN QB 4.000 . 6.000 5.749 5.303 6.006 0.006 1 0 "[ . 1 . 2]" 1
37 1 3 CYS QB 1 5 GLN QG 4.000 . 6.000 5.482 4.514 6.023 0.023 19 0 "[ . 1 . 2]" 1
38 1 3 CYS QB 1 23 CYS HA 4.000 . 6.000 5.077 4.914 5.183 . 0 0 "[ . 1 . 2]" 1
39 1 3 CYS QB 1 23 CYS QB 3.000 . 4.500 3.487 3.334 3.629 . 0 0 "[ . 1 . 2]" 1
40 1 4 LEU H 1 4 LEU HA 3.000 . 3.500 2.847 2.796 2.910 . 0 0 "[ . 1 . 2]" 1
41 1 4 LEU H 1 5 GLN H 4.000 . 5.000 4.308 4.154 4.380 . 0 0 "[ . 1 . 2]" 1
42 1 4 LEU H 1 23 CYS HA 4.000 . 5.000 4.291 3.813 4.583 . 0 0 "[ . 1 . 2]" 1
43 1 4 LEU H 1 23 CYS QB 2.500 . 4.000 2.735 2.197 3.103 . 0 0 "[ . 1 . 2]" 1
44 1 4 LEU H 1 24 CYS H 2.500 . 3.000 2.861 2.502 3.004 0.004 20 0 "[ . 1 . 2]" 1
45 1 4 LEU H 1 24 CYS QB 4.000 . 6.000 3.678 3.556 3.753 . 0 0 "[ . 1 . 2]" 1
46 1 4 LEU HA 1 4 LEU MD1 4.000 . 6.000 3.037 2.899 3.238 . 0 0 "[ . 1 . 2]" 1
47 1 4 LEU HA 1 4 LEU MD2 4.000 . 6.000 3.458 3.295 3.531 . 0 0 "[ . 1 . 2]" 1
48 1 4 LEU HA 1 5 GLN H 2.500 . 3.000 2.187 2.171 2.257 . 0 0 "[ . 1 . 2]" 1
49 1 4 LEU HA 1 5 GLN QB 4.000 . 6.000 4.251 4.021 4.602 . 0 0 "[ . 1 . 2]" 1
50 1 4 LEU HA 1 5 GLN QG 4.000 . 6.000 4.492 3.328 5.644 . 0 0 "[ . 1 . 2]" 1
51 1 4 LEU HA 1 5 GLN QE 4.000 . 6.000 4.929 4.420 6.004 0.004 3 0 "[ . 1 . 2]" 1
52 1 4 LEU HA 1 23 CYS HA 4.000 . 5.000 4.764 4.616 4.901 . 0 0 "[ . 1 . 2]" 1
53 1 4 LEU HA 1 23 CYS QB 4.000 . 6.000 4.417 4.209 4.667 . 0 0 "[ . 1 . 2]" 1
54 1 4 LEU HA 1 24 CYS H 4.000 . 5.000 4.118 4.024 4.206 . 0 0 "[ . 1 . 2]" 1
55 1 4 LEU QB 1 5 GLN H 3.000 . 4.500 3.746 3.668 3.860 . 0 0 "[ . 1 . 2]" 1
56 1 4 LEU QB 1 13 ASN QD 4.000 . 6.000 5.132 4.088 5.932 . 0 0 "[ . 1 . 2]" 1
57 1 4 LEU QB 1 16 TRP HZ3 4.000 . 6.000 4.771 4.347 4.989 . 0 0 "[ . 1 . 2]" 1
58 1 4 LEU QB 1 16 TRP HE3 4.000 . 6.000 3.748 3.344 3.910 . 0 0 "[ . 1 . 2]" 1
59 1 4 LEU QB 1 23 CYS HA 4.000 . 6.000 4.252 4.098 4.482 . 0 0 "[ . 1 . 2]" 1
60 1 4 LEU QB 1 23 CYS QB 4.000 . 6.000 3.909 3.748 4.090 . 0 0 "[ . 1 . 2]" 1
61 1 4 LEU QB 1 24 CYS H 2.500 . 4.000 2.671 2.508 2.844 . 0 0 "[ . 1 . 2]" 1
62 1 4 LEU HB2 1 24 CYS HA 4.000 . 5.000 5.017 5.010 5.032 0.032 18 0 "[ . 1 . 2]" 1
63 1 4 LEU HB3 1 24 CYS HA 4.000 . 5.000 4.839 4.496 5.016 0.016 15 0 "[ . 1 . 2]" 1
64 1 4 LEU QB 1 24 CYS QB 3.000 . 4.500 2.079 1.949 2.164 . 0 0 "[ . 1 . 2]" 1
65 1 4 LEU MD2 1 12 CYS QB 3.000 . 4.500 2.572 1.810 2.885 . 0 0 "[ . 1 . 2]" 1
66 1 4 LEU MD1 1 12 CYS QB 4.000 . 6.000 4.353 4.036 4.567 . 0 0 "[ . 1 . 2]" 1
67 1 4 LEU MD2 1 13 ASN QB 4.000 . 6.000 4.617 4.020 4.943 . 0 0 "[ . 1 . 2]" 1
68 1 4 LEU MD1 1 13 ASN QB 4.000 . 6.000 5.786 5.154 6.002 0.002 5 0 "[ . 1 . 2]" 1
69 1 4 LEU MD2 1 13 ASN QD 3.000 . 4.500 3.280 1.906 4.318 . 0 0 "[ . 1 . 2]" 1
70 1 4 LEU MD1 1 13 ASN QD 3.000 . 4.500 3.914 2.655 4.504 0.004 12 0 "[ . 1 . 2]" 1
71 1 4 LEU MD2 1 16 TRP HE3 4.000 . 6.000 2.286 1.937 2.470 . 0 0 "[ . 1 . 2]" 1
72 1 4 LEU MD1 1 16 TRP HE3 4.000 . 6.000 3.005 2.575 3.323 . 0 0 "[ . 1 . 2]" 1
73 1 4 LEU MD2 1 16 TRP HD1 4.000 . 6.000 6.014 5.952 6.027 0.027 11 0 "[ . 1 . 2]" 1
74 1 4 LEU MD1 1 16 TRP HD1 4.000 . 6.000 5.135 4.676 5.485 . 0 0 "[ . 1 . 2]" 1
75 1 4 LEU MD2 1 16 TRP HZ3 4.000 2.800 6.000 2.828 2.769 2.993 0.031 3 0 "[ . 1 . 2]" 1
76 1 4 LEU MD1 1 16 TRP HZ3 4.000 . 6.000 2.686 1.950 3.040 . 0 0 "[ . 1 . 2]" 1
77 1 4 LEU MD2 1 16 TRP HZ2 4.000 . 6.000 5.546 5.364 5.846 . 0 0 "[ . 1 . 2]" 1
78 1 4 LEU MD1 1 16 TRP HZ2 4.000 . 6.000 3.930 3.530 4.187 . 0 0 "[ . 1 . 2]" 1
79 1 4 LEU MD2 1 16 TRP HH2 4.000 . 6.000 4.449 4.243 4.720 . 0 0 "[ . 1 . 2]" 1
80 1 4 LEU MD1 1 16 TRP HH2 4.000 . 6.000 3.270 2.910 3.488 . 0 0 "[ . 1 . 2]" 1
81 1 4 LEU MD2 1 5 GLN H 3.000 . 4.500 4.495 4.342 4.518 0.018 8 0 "[ . 1 . 2]" 1
82 1 4 LEU MD1 1 5 GLN H 4.000 . 6.000 4.857 4.718 5.100 . 0 0 "[ . 1 . 2]" 1
83 1 4 LEU MD2 1 23 CYS QB 4.000 . 6.000 5.804 5.585 6.004 0.004 8 0 "[ . 1 . 2]" 1
84 1 4 LEU MD1 1 23 CYS QB 4.000 . 6.000 5.170 5.059 5.328 . 0 0 "[ . 1 . 2]" 1
85 1 4 LEU MD2 1 24 CYS H 4.000 . 6.000 4.569 4.304 4.815 . 0 0 "[ . 1 . 2]" 1
86 1 4 LEU MD1 1 24 CYS H 4.000 . 6.000 4.652 4.576 4.747 . 0 0 "[ . 1 . 2]" 1
87 1 5 GLN H 1 5 GLN HA 3.000 . 3.500 2.686 2.633 2.714 . 0 0 "[ . 1 . 2]" 1
88 1 5 GLN H 1 5 GLN QB 3.000 . 4.500 2.331 2.092 2.623 . 0 0 "[ . 1 . 2]" 1
89 1 5 GLN H 1 5 GLN QG 4.000 . 6.000 2.742 1.953 3.759 . 0 0 "[ . 1 . 2]" 1
90 1 5 GLN H 1 6 CYS H 4.000 . 5.000 4.432 4.355 4.490 . 0 0 "[ . 1 . 2]" 1
91 1 5 GLN H 1 23 CYS HA 4.000 . 5.000 4.050 3.874 4.134 . 0 0 "[ . 1 . 2]" 1
92 1 5 GLN H 1 23 CYS QB 4.000 . 6.000 4.576 4.215 4.821 . 0 0 "[ . 1 . 2]" 1
93 1 5 GLN H 1 24 CYS H 4.000 . 5.000 4.539 4.302 4.626 . 0 0 "[ . 1 . 2]" 1
94 1 5 GLN HA 1 6 CYS H 2.500 . 3.000 2.148 2.129 2.162 . 0 0 "[ . 1 . 2]" 1
95 1 5 GLN HA 1 23 CYS HA 2.500 . 3.000 2.537 2.258 2.688 . 0 0 "[ . 1 . 2]" 1
96 1 5 GLN HA 1 23 CYS QB 4.000 . 6.000 4.136 3.864 4.283 . 0 0 "[ . 1 . 2]" 1
97 1 5 GLN HA 1 24 CYS H 4.000 . 5.000 4.325 4.064 4.451 . 0 0 "[ . 1 . 2]" 1
98 1 5 GLN QB 1 6 CYS H 3.000 . 4.500 3.524 3.353 3.773 . 0 0 "[ . 1 . 2]" 1
99 1 5 GLN QB 1 6 CYS QB 4.000 . 6.000 5.182 5.085 5.278 . 0 0 "[ . 1 . 2]" 1
100 1 5 GLN QB 1 23 CYS HA 4.000 . 6.000 4.480 4.305 4.626 . 0 0 "[ . 1 . 2]" 1
101 1 5 GLN QB 1 24 CYS H 4.000 . 6.000 5.601 5.349 5.725 . 0 0 "[ . 1 . 2]" 1
102 1 5 GLN QG 1 23 CYS HA 4.000 . 6.000 4.577 4.190 5.059 . 0 0 "[ . 1 . 2]" 1
103 1 5 GLN QG 1 23 CYS QB 4.000 . 6.000 5.460 4.983 5.972 . 0 0 "[ . 1 . 2]" 1
104 1 5 GLN QG 1 24 CYS H 4.000 . 6.000 5.809 5.446 6.022 0.022 7 0 "[ . 1 . 2]" 1
105 1 5 GLN HG2 1 6 CYS H 4.000 . 5.000 4.566 3.755 5.018 0.018 19 0 "[ . 1 . 2]" 1
106 1 5 GLN HG3 1 6 CYS H 4.000 . 5.000 4.430 3.404 5.032 0.032 3 0 "[ . 1 . 2]" 1
107 1 5 GLN QE 1 23 CYS HA 4.000 . 6.000 5.727 4.022 6.008 0.008 7 0 "[ . 1 . 2]" 1
108 1 6 CYS H 1 6 CYS HA 3.000 . 3.500 2.934 2.928 2.944 . 0 0 "[ . 1 . 2]" 1
109 1 6 CYS H 1 6 CYS QB 3.000 . 4.500 2.738 2.706 2.829 . 0 0 "[ . 1 . 2]" 1
110 1 6 CYS H 1 7 ARG H 4.000 . 5.000 4.511 4.462 4.543 . 0 0 "[ . 1 . 2]" 1
111 1 6 CYS H 1 7 ARG HA 4.000 . 5.000 5.046 5.008 5.056 0.056 19 0 "[ . 1 . 2]" 1
112 1 6 CYS H 1 7 ARG QB 4.000 . 6.000 5.911 5.635 6.001 0.001 17 0 "[ . 1 . 2]" 1
113 1 6 CYS H 1 7 ARG QG 4.000 . 6.000 5.300 5.014 6.002 0.002 15 0 "[ . 1 . 2]" 1
114 1 6 CYS H 1 19 CYS QB 4.000 . 6.000 5.362 5.317 5.419 . 0 0 "[ . 1 . 2]" 1
115 1 6 CYS H 1 22 GLY HA2 4.000 . 5.000 3.584 3.548 3.657 . 0 0 "[ . 1 . 2]" 1
116 1 6 CYS H 1 22 GLY HA3 4.000 . 5.000 4.197 4.164 4.265 . 0 0 "[ . 1 . 2]" 1
117 1 6 CYS H 1 23 CYS H 4.000 . 5.000 3.806 3.741 3.883 . 0 0 "[ . 1 . 2]" 1
118 1 6 CYS H 1 23 CYS HA 2.500 . 3.000 2.201 2.146 2.261 . 0 0 "[ . 1 . 2]" 1
119 1 6 CYS H 1 24 CYS QB 4.000 . 6.000 5.457 5.368 5.573 . 0 0 "[ . 1 . 2]" 1
120 1 6 CYS H 1 24 CYS H 4.000 . 5.000 4.006 3.916 4.089 . 0 0 "[ . 1 . 2]" 1
121 1 6 CYS HA 1 7 ARG QB 4.000 . 6.000 4.087 3.846 4.186 . 0 0 "[ . 1 . 2]" 1
122 1 6 CYS HA 1 7 ARG QG 4.000 . 6.000 4.194 3.934 5.139 . 0 0 "[ . 1 . 2]" 1
123 1 6 CYS HA 1 7 ARG H 2.500 . 3.000 2.507 2.294 2.632 . 0 0 "[ . 1 . 2]" 1
124 1 6 CYS HA 1 8 SER H 4.000 . 5.000 4.940 4.484 5.005 0.005 7 0 "[ . 1 . 2]" 1
125 1 6 CYS HA 1 11 ASP H 4.000 . 5.000 4.378 4.089 4.522 . 0 0 "[ . 1 . 2]" 1
126 1 6 CYS HA 1 11 ASP QB 4.000 . 6.000 3.186 2.781 3.643 . 0 0 "[ . 1 . 2]" 1
127 1 6 CYS HA 1 12 CYS QB 4.000 . 6.000 4.818 4.107 5.128 . 0 0 "[ . 1 . 2]" 1
128 1 6 CYS HA 1 19 CYS QB 4.000 . 6.000 4.432 4.378 4.489 . 0 0 "[ . 1 . 2]" 1
129 1 6 CYS HA 1 23 CYS HA 4.000 . 5.000 4.339 4.287 4.373 . 0 0 "[ . 1 . 2]" 1
130 1 6 CYS HA 1 23 CYS QB 4.000 . 6.000 6.012 6.003 6.020 0.020 14 0 "[ . 1 . 2]" 1
131 1 6 CYS QB 1 7 ARG H 3.000 . 4.500 2.286 2.100 2.716 . 0 0 "[ . 1 . 2]" 1
132 1 6 CYS QB 1 7 ARG HA 4.000 . 6.000 4.418 4.329 4.567 . 0 0 "[ . 1 . 2]" 1
133 1 6 CYS QB 1 7 ARG QB 4.000 . 6.000 4.429 4.343 4.579 . 0 0 "[ . 1 . 2]" 1
134 1 6 CYS QB 1 7 ARG QG 4.000 . 6.000 5.013 4.807 5.674 . 0 0 "[ . 1 . 2]" 1
135 1 6 CYS QB 1 8 SER H 3.000 . 4.500 4.195 3.410 4.425 . 0 0 "[ . 1 . 2]" 1
136 1 6 CYS QB 1 8 SER QB 4.000 . 6.000 5.619 5.169 6.005 0.005 15 0 "[ . 1 . 2]" 1
137 1 6 CYS QB 1 9 ASN HA 4.000 . 6.000 4.649 4.394 4.787 . 0 0 "[ . 1 . 2]" 1
138 1 6 CYS QB 1 11 ASP H 3.000 . 4.500 3.480 3.175 3.729 . 0 0 "[ . 1 . 2]" 1
139 1 6 CYS QB 1 11 ASP QB 3.000 . 4.500 3.510 3.187 3.910 . 0 0 "[ . 1 . 2]" 1
140 1 6 CYS QB 1 12 CYS H 4.000 . 6.000 5.612 5.497 5.729 . 0 0 "[ . 1 . 2]" 1
141 1 6 CYS QB 1 19 CYS H 4.000 . 6.000 4.224 4.156 4.363 . 0 0 "[ . 1 . 2]" 1
142 1 6 CYS QB 1 19 CYS HA 3.000 . 4.500 2.454 2.383 2.577 . 0 0 "[ . 1 . 2]" 1
143 1 6 CYS QB 1 19 CYS QB 3.000 . 4.500 2.143 2.098 2.180 . 0 0 "[ . 1 . 2]" 1
144 1 6 CYS QB 1 23 CYS HA 3.000 . 4.500 3.031 2.938 3.130 . 0 0 "[ . 1 . 2]" 1
145 1 6 CYS QB 1 24 CYS HA 3.000 . 4.500 2.758 2.688 2.850 . 0 0 "[ . 1 . 2]" 1
146 1 6 CYS QB 1 24 CYS H 3.000 . 4.500 3.102 2.966 3.187 . 0 0 "[ . 1 . 2]" 1
147 1 6 CYS QB 1 24 CYS QB 4.000 . 6.000 3.553 3.505 3.623 . 0 0 "[ . 1 . 2]" 1
148 1 7 ARG H 1 7 ARG QG 4.000 . 6.000 3.542 3.349 4.051 . 0 0 "[ . 1 . 2]" 1
149 1 7 ARG H 1 8 SER H 2.500 . 3.000 2.498 1.980 2.648 . 0 0 "[ . 1 . 2]" 1
150 1 7 ARG H 1 8 SER HA 4.000 . 5.000 4.773 4.531 4.993 . 0 0 "[ . 1 . 2]" 1
151 1 7 ARG H 1 8 SER QB 4.000 . 6.000 4.610 4.292 5.231 . 0 0 "[ . 1 . 2]" 1
152 1 7 ARG H 1 11 ASP H 4.000 . 5.000 3.320 3.166 3.528 . 0 0 "[ . 1 . 2]" 1
153 1 7 ARG H 1 11 ASP HA 4.000 . 5.000 5.010 5.001 5.018 0.018 18 0 "[ . 1 . 2]" 1
154 1 7 ARG H 1 11 ASP QB 3.000 . 4.500 2.177 2.030 2.347 . 0 0 "[ . 1 . 2]" 1
155 1 7 ARG H 1 19 CYS QB 4.000 . 6.000 3.511 3.268 4.048 . 0 0 "[ . 1 . 2]" 1
156 1 7 ARG HA 1 7 ARG QD 4.000 . 6.000 3.683 2.207 4.091 . 0 0 "[ . 1 . 2]" 1
157 1 7 ARG HA 1 11 ASP QB 4.000 . 6.000 4.248 4.185 4.349 . 0 0 "[ . 1 . 2]" 1
158 1 7 ARG HA 1 8 SER H 3.000 . 3.500 3.550 3.542 3.555 0.055 11 0 "[ . 1 . 2]" 1
159 1 7 ARG QB 1 8 SER H 3.000 . 4.500 2.162 1.967 2.602 . 0 0 "[ . 1 . 2]" 1
160 1 7 ARG QB 1 8 SER QB 4.000 . 6.000 3.562 3.327 3.853 . 0 0 "[ . 1 . 2]" 1
161 1 7 ARG QB 1 11 ASP QB 3.000 . 4.500 2.185 1.943 2.448 . 0 0 "[ . 1 . 2]" 1
162 1 7 ARG QG 1 8 SER H 3.000 . 4.500 4.060 3.919 4.324 . 0 0 "[ . 1 . 2]" 1
163 1 7 ARG QG 1 8 SER HA 4.000 . 6.000 5.527 4.737 5.825 . 0 0 "[ . 1 . 2]" 1
164 1 7 ARG QG 1 8 SER QB 4.000 . 6.000 5.396 4.688 5.762 . 0 0 "[ . 1 . 2]" 1
165 1 7 ARG QG 1 11 ASP QB 3.000 . 4.500 3.545 3.150 4.305 . 0 0 "[ . 1 . 2]" 1
166 1 7 ARG QD 1 8 SER H 4.000 . 6.000 4.332 3.850 4.887 . 0 0 "[ . 1 . 2]" 1
167 1 8 SER H 1 8 SER HA 3.000 . 3.500 2.918 2.906 2.947 . 0 0 "[ . 1 . 2]" 1
168 1 8 SER H 1 8 SER QB 3.000 . 4.500 2.432 2.250 2.995 . 0 0 "[ . 1 . 2]" 1
169 1 8 SER H 1 9 ASN HA 4.000 . 5.000 4.912 4.643 4.987 . 0 0 "[ . 1 . 2]" 1
170 1 8 SER H 1 11 ASP H 3.000 . 3.500 3.488 3.367 3.518 0.018 17 0 "[ . 1 . 2]" 1
171 1 8 SER H 1 11 ASP HA 4.000 . 5.000 4.771 4.717 4.855 . 0 0 "[ . 1 . 2]" 1
172 1 8 SER H 1 11 ASP QB 3.000 . 4.500 2.322 2.108 2.611 . 0 0 "[ . 1 . 2]" 1
173 1 8 SER HA 1 9 ASN HA 4.000 . 5.000 4.572 4.559 4.590 . 0 0 "[ . 1 . 2]" 1
174 1 8 SER HA 1 9 ASN QB 4.000 . 6.000 4.535 4.480 4.596 . 0 0 "[ . 1 . 2]" 1
175 1 8 SER HA 1 11 ASP QB 4.000 . 6.000 4.980 4.736 5.319 . 0 0 "[ . 1 . 2]" 1
176 1 8 SER QB 1 9 ASN HB2 4.000 . 6.000 3.759 3.450 4.397 . 0 0 "[ . 1 . 2]" 1
177 1 8 SER QB 1 9 ASN HB3 4.000 . 6.000 3.859 3.577 4.281 . 0 0 "[ . 1 . 2]" 1
178 1 8 SER QB 1 9 ASN HA 4.000 . 6.000 4.283 4.119 4.572 . 0 0 "[ . 1 . 2]" 1
179 1 8 SER QB 1 11 ASP H 4.000 . 6.000 4.164 3.932 4.923 . 0 0 "[ . 1 . 2]" 1
180 1 8 SER QB 1 11 ASP QB 3.000 . 4.500 3.608 2.970 4.024 . 0 0 "[ . 1 . 2]" 1
181 1 8 SER QB 1 19 CYS QB 4.000 . 6.000 4.686 4.492 5.034 . 0 0 "[ . 1 . 2]" 1
182 1 9 ASN HA 1 9 ASN QD 4.000 . 6.000 3.408 3.317 3.481 . 0 0 "[ . 1 . 2]" 1
183 1 9 ASN HA 1 10 SER HA 4.000 . 5.000 4.539 4.532 4.552 . 0 0 "[ . 1 . 2]" 1
184 1 9 ASN HA 1 10 SER H 3.000 . 3.500 3.536 3.532 3.543 0.043 20 0 "[ . 1 . 2]" 1
185 1 9 ASN HA 1 11 ASP H 4.000 . 5.000 4.563 4.450 4.724 . 0 0 "[ . 1 . 2]" 1
186 1 9 ASN HA 1 19 CYS H 2.500 . 3.000 2.909 2.799 3.006 0.006 15 0 "[ . 1 . 2]" 1
187 1 9 ASN HA 1 19 CYS HA 4.000 . 5.000 4.587 4.479 4.657 . 0 0 "[ . 1 . 2]" 1
188 1 9 ASN HA 1 19 CYS QB 3.000 . 4.500 1.886 1.846 1.911 . 0 0 "[ . 1 . 2]" 1
189 1 9 ASN QB 1 10 SER H 3.000 . 4.500 2.459 2.346 2.511 . 0 0 "[ . 1 . 2]" 1
190 1 9 ASN QB 1 10 SER QB 4.000 . 6.000 3.580 3.333 3.748 . 0 0 "[ . 1 . 2]" 1
191 1 9 ASN QB 1 19 CYS QB 4.000 . 6.000 3.801 3.710 3.839 . 0 0 "[ . 1 . 2]" 1
192 1 9 ASN HD22 1 10 SER HA 4.000 . 5.000 4.918 4.768 5.003 0.003 11 0 "[ . 1 . 2]" 1
193 1 9 ASN HD21 1 10 SER HA 4.000 . 5.000 3.618 3.513 3.709 . 0 0 "[ . 1 . 2]" 1
194 1 9 ASN QD 1 10 SER QB 4.000 . 6.000 2.165 2.027 2.366 . 0 0 "[ . 1 . 2]" 1
195 1 9 ASN QD 1 18 ILE HA 3.000 . 4.500 3.284 3.175 3.376 . 0 0 "[ . 1 . 2]" 1
196 1 9 ASN QD 1 18 ILE HB 4.000 . 6.000 5.880 5.725 5.993 . 0 0 "[ . 1 . 2]" 1
197 1 9 ASN QD 1 18 ILE MD 3.000 . 4.500 3.329 2.836 4.506 0.006 2 0 "[ . 1 . 2]" 1
198 1 9 ASN QD 1 18 ILE QG 4.000 . 6.000 4.707 3.781 4.976 . 0 0 "[ . 1 . 2]" 1
199 1 9 ASN QD 1 18 ILE MG 3.000 . 4.500 4.480 4.370 4.504 0.004 11 0 "[ . 1 . 2]" 1
200 1 9 ASN HD22 1 19 CYS H 4.000 . 5.000 4.043 3.937 4.160 . 0 0 "[ . 1 . 2]" 1
201 1 9 ASN HD21 1 19 CYS H 4.000 . 5.000 3.954 3.845 4.071 . 0 0 "[ . 1 . 2]" 1
202 1 9 ASN QD 1 19 CYS QB 4.000 . 6.000 4.218 4.153 4.302 . 0 0 "[ . 1 . 2]" 1
203 1 10 SER H 1 11 ASP H 2.500 . 3.000 2.660 2.570 2.761 . 0 0 "[ . 1 . 2]" 1
204 1 10 SER H 1 12 CYS H 4.000 . 5.000 5.028 5.022 5.035 0.035 9 0 "[ . 1 . 2]" 1
205 1 10 SER H 1 19 CYS H 4.000 . 5.000 4.880 4.777 5.021 0.021 3 0 "[ . 1 . 2]" 1
206 1 10 SER HA 1 19 CYS QB 3.000 . 4.500 3.806 3.560 4.028 . 0 0 "[ . 1 . 2]" 1
207 1 10 SER HA 1 11 ASP H 2.500 . 3.000 2.749 2.663 2.818 . 0 0 "[ . 1 . 2]" 1
208 1 10 SER HA 1 12 CYS H 4.000 . 5.000 3.755 3.711 3.807 . 0 0 "[ . 1 . 2]" 1
209 1 10 SER HA 1 13 ASN H 4.000 . 5.000 4.860 4.617 5.005 0.005 20 0 "[ . 1 . 2]" 1
210 1 10 SER HA 1 17 ARG HA 2.500 . 3.000 2.094 1.959 2.496 . 0 0 "[ . 1 . 2]" 1
211 1 10 SER HA 1 17 ARG QB 3.000 . 4.500 3.492 3.246 4.039 . 0 0 "[ . 1 . 2]" 1
212 1 10 SER HA 1 17 ARG QG 4.000 . 6.000 4.849 3.129 5.351 . 0 0 "[ . 1 . 2]" 1
213 1 10 SER HA 1 18 ILE H 4.000 . 5.000 4.390 4.248 4.546 . 0 0 "[ . 1 . 2]" 1
214 1 10 SER HA 1 18 ILE HA 4.000 . 5.000 4.879 4.711 5.025 0.025 18 0 "[ . 1 . 2]" 1
215 1 10 SER HA 1 19 CYS H 4.000 . 5.000 3.894 3.752 4.168 . 0 0 "[ . 1 . 2]" 1
216 1 10 SER HB2 1 11 ASP H 4.000 . 5.000 4.511 4.451 4.656 . 0 0 "[ . 1 . 2]" 1
217 1 10 SER HB3 1 11 ASP H 4.000 . 5.000 4.597 4.279 4.650 . 0 0 "[ . 1 . 2]" 1
218 1 10 SER QB 1 11 ASP HA 4.000 . 6.000 4.848 4.645 4.965 . 0 0 "[ . 1 . 2]" 1
219 1 10 SER QB 1 11 ASP QB 4.000 . 6.000 5.462 5.199 5.583 . 0 0 "[ . 1 . 2]" 1
220 1 10 SER QB 1 12 CYS H 4.000 . 6.000 3.873 3.731 4.282 . 0 0 "[ . 1 . 2]" 1
221 1 10 SER QB 1 13 ASN HA 4.000 . 6.000 5.677 5.293 6.016 0.016 8 0 "[ . 1 . 2]" 1
222 1 10 SER HB2 1 17 ARG H 4.000 . 5.000 4.780 4.588 5.009 0.009 3 0 "[ . 1 . 2]" 1
223 1 10 SER QB 1 17 ARG HA 3.000 . 4.500 2.091 1.911 2.527 . 0 0 "[ . 1 . 2]" 1
224 1 10 SER QB 1 17 ARG QB 3.000 . 4.500 1.956 1.799 2.740 0.001 13 0 "[ . 1 . 2]" 1
225 1 10 SER QB 1 17 ARG QG 3.000 . 4.500 3.573 1.809 4.029 . 0 0 "[ . 1 . 2]" 1
226 1 10 SER QB 1 17 ARG QD 4.000 . 6.000 3.769 2.149 4.403 . 0 0 "[ . 1 . 2]" 1
227 1 11 ASP H 1 11 ASP HA 3.000 . 3.500 2.872 2.866 2.878 . 0 0 "[ . 1 . 2]" 1
228 1 11 ASP H 1 12 CYS H 3.000 . 3.500 3.512 3.506 3.524 0.024 18 0 "[ . 1 . 2]" 1
229 1 11 ASP H 1 12 CYS QB 4.000 . 6.000 4.470 4.304 5.076 . 0 0 "[ . 1 . 2]" 1
230 1 11 ASP H 1 19 CYS QB 3.000 . 4.500 3.455 3.254 3.719 . 0 0 "[ . 1 . 2]" 1
231 1 11 ASP HA 1 12 CYS H 3.000 . 3.500 2.612 2.593 2.623 . 0 0 "[ . 1 . 2]" 1
232 1 11 ASP QB 1 12 CYS H 3.000 . 4.500 3.945 3.915 3.999 . 0 0 "[ . 1 . 2]" 1
233 1 12 CYS H 1 12 CYS HA 3.000 . 3.500 2.908 2.892 2.920 . 0 0 "[ . 1 . 2]" 1
234 1 12 CYS H 1 12 CYS QB 3.000 . 4.500 2.763 2.619 3.293 . 0 0 "[ . 1 . 2]" 1
235 1 12 CYS H 1 13 ASN H 3.000 . 3.500 2.932 2.728 3.124 . 0 0 "[ . 1 . 2]" 1
236 1 12 CYS H 1 24 CYS QB 4.000 . 6.000 5.031 4.876 5.299 . 0 0 "[ . 1 . 2]" 1
237 1 12 CYS HA 1 13 ASN H 3.000 . 3.500 3.528 3.512 3.537 0.037 11 0 "[ . 1 . 2]" 1
238 1 12 CYS HA 1 13 ASN QB 4.000 . 6.000 4.715 4.292 5.204 . 0 0 "[ . 1 . 2]" 1
239 1 12 CYS QB 1 13 ASN H 3.000 . 4.500 1.985 1.900 2.041 . 0 0 "[ . 1 . 2]" 1
240 1 12 CYS QB 1 16 TRP H 4.000 . 6.000 3.802 3.566 4.433 . 0 0 "[ . 1 . 2]" 1
241 1 12 CYS QB 1 16 TRP HE3 3.000 . 4.500 2.676 2.266 3.238 . 0 0 "[ . 1 . 2]" 1
242 1 12 CYS QB 1 24 CYS QB 3.000 . 4.500 2.640 2.452 3.280 . 0 0 "[ . 1 . 2]" 1
243 1 13 ASN H 1 13 ASN QB 3.000 . 4.500 3.229 3.137 3.373 . 0 0 "[ . 1 . 2]" 1
244 1 13 ASN H 1 14 ILE H 4.000 . 5.000 4.352 4.314 4.381 . 0 0 "[ . 1 . 2]" 1
245 1 13 ASN H 1 14 ILE MD 4.000 . 6.000 5.509 4.897 6.050 0.050 16 0 "[ . 1 . 2]" 1
246 1 13 ASN H 1 15 ILE QG 4.000 . 6.000 5.414 4.769 6.026 0.026 8 0 "[ . 1 . 2]" 1
247 1 13 ASN H 1 16 TRP QB 4.000 . 6.000 3.540 3.332 3.907 . 0 0 "[ . 1 . 2]" 1
248 1 13 ASN H 1 16 TRP H 4.000 . 5.000 3.554 3.324 3.933 . 0 0 "[ . 1 . 2]" 1
249 1 13 ASN H 1 16 TRP HE3 4.000 . 5.000 3.934 3.659 4.250 . 0 0 "[ . 1 . 2]" 1
250 1 13 ASN H 1 17 ARG HA 4.000 . 5.000 4.331 4.066 4.702 . 0 0 "[ . 1 . 2]" 1
251 1 13 ASN H 1 24 CYS QB 4.000 . 6.000 4.228 4.119 4.314 . 0 0 "[ . 1 . 2]" 1
252 1 13 ASN HA 1 14 ILE H 2.500 . 3.000 2.647 2.476 2.753 . 0 0 "[ . 1 . 2]" 1
253 1 13 ASN HA 1 14 ILE HA 4.000 . 5.000 4.319 4.295 4.348 . 0 0 "[ . 1 . 2]" 1
254 1 13 ASN QB 1 14 ILE H 3.000 . 4.500 2.108 1.897 2.334 . 0 0 "[ . 1 . 2]" 1
255 1 13 ASN QB 1 14 ILE HB 4.000 . 6.000 4.384 3.943 5.436 . 0 0 "[ . 1 . 2]" 1
256 1 13 ASN QB 1 14 ILE QG 4.000 . 6.000 3.928 2.743 5.361 . 0 0 "[ . 1 . 2]" 1
257 1 13 ASN QB 1 14 ILE HA 4.000 . 6.000 4.385 4.163 4.657 . 0 0 "[ . 1 . 2]" 1
258 1 13 ASN QB 1 15 ILE H 4.000 . 6.000 2.593 2.106 3.177 . 0 0 "[ . 1 . 2]" 1
259 1 13 ASN QB 1 15 ILE QG 4.000 . 6.000 3.040 2.124 3.928 . 0 0 "[ . 1 . 2]" 1
260 1 13 ASN QB 1 15 ILE MD 4.000 . 6.000 3.488 2.538 4.137 . 0 0 "[ . 1 . 2]" 1
261 1 13 ASN QB 1 16 TRP HE3 4.000 . 6.000 3.985 3.820 4.227 . 0 0 "[ . 1 . 2]" 1
262 1 13 ASN QB 1 16 TRP HZ3 4.000 . 6.000 4.357 4.182 4.557 . 0 0 "[ . 1 . 2]" 1
263 1 13 ASN QB 1 16 TRP HH2 4.000 . 6.000 6.021 6.003 6.043 0.043 11 0 "[ . 1 . 2]" 1
264 1 13 ASN HD22 1 15 ILE H 4.000 . 5.000 4.216 3.086 5.025 0.025 20 0 "[ . 1 . 2]" 1
265 1 13 ASN HD21 1 15 ILE H 4.000 . 5.000 3.545 1.818 5.021 0.021 18 0 "[ . 1 . 2]" 1
266 1 13 ASN HD22 1 15 ILE HB 4.000 . 5.000 3.369 1.974 4.735 . 0 0 "[ . 1 . 2]" 1
267 1 13 ASN HD21 1 15 ILE HB 4.000 . 5.000 3.429 2.441 4.921 . 0 0 "[ . 1 . 2]" 1
268 1 13 ASN QD 1 15 ILE QG 4.000 . 6.000 2.802 1.966 4.776 . 0 0 "[ . 1 . 2]" 1
269 1 13 ASN QD 1 15 ILE MD 4.000 . 6.000 2.462 1.823 3.156 . 0 0 "[ . 1 . 2]" 1
270 1 13 ASN QD 1 15 ILE HB 4.000 . 6.000 2.649 1.959 3.930 . 0 0 "[ . 1 . 2]" 1
271 1 13 ASN QD 1 16 TRP HZ3 4.000 . 6.000 2.255 1.907 3.158 . 0 0 "[ . 1 . 2]" 1
272 1 13 ASN QD 1 16 TRP HE3 3.000 . 4.500 2.323 1.883 2.932 . 0 0 "[ . 1 . 2]" 1
273 1 13 ASN QD 1 16 TRP QB 4.000 . 6.000 3.901 3.213 4.476 . 0 0 "[ . 1 . 2]" 1
274 1 14 ILE H 1 14 ILE HA 3.000 . 3.500 2.819 2.737 2.893 . 0 0 "[ . 1 . 2]" 1
275 1 14 ILE H 1 14 ILE HB 4.000 . 5.000 2.886 2.534 3.647 . 0 0 "[ . 1 . 2]" 1
276 1 14 ILE H 1 14 ILE HG12 4.000 . 5.000 3.289 1.949 4.689 . 0 0 "[ . 1 . 2]" 1
277 1 14 ILE H 1 14 ILE HG13 4.000 . 5.000 3.146 1.903 4.531 . 0 0 "[ . 1 . 2]" 1
278 1 14 ILE H 1 14 ILE MG 3.000 . 4.500 3.188 1.965 3.795 . 0 0 "[ . 1 . 2]" 1
279 1 14 ILE H 1 15 ILE H 3.000 . 3.500 2.615 2.384 2.819 . 0 0 "[ . 1 . 2]" 1
280 1 14 ILE HA 1 14 ILE MD 4.000 . 6.000 3.050 1.902 3.697 . 0 0 "[ . 1 . 2]" 1
281 1 14 ILE HA 1 15 ILE H 3.000 . 3.500 3.441 3.370 3.532 0.032 11 0 "[ . 1 . 2]" 1
282 1 14 ILE HA 1 15 ILE MG 4.000 . 6.000 6.033 5.932 6.086 0.086 5 0 "[ . 1 . 2]" 1
283 1 14 ILE HA 1 17 ARG QB 4.000 . 6.000 4.021 3.616 4.688 . 0 0 "[ . 1 . 2]" 1
284 1 14 ILE HA 1 17 ARG QG 4.000 . 6.000 4.944 2.899 5.718 . 0 0 "[ . 1 . 2]" 1
285 1 14 ILE HB 1 15 ILE H 4.000 . 5.000 3.403 2.746 4.255 . 0 0 "[ . 1 . 2]" 1
286 1 14 ILE HB 1 15 ILE QG 4.000 . 6.000 3.840 3.320 4.963 . 0 0 "[ . 1 . 2]" 1
287 1 14 ILE QG 1 15 ILE H 4.000 . 6.000 3.776 2.288 4.428 . 0 0 "[ . 1 . 2]" 1
288 1 14 ILE QG 1 14 ILE MG 3.000 . 4.500 2.135 1.943 2.399 . 0 0 "[ . 1 . 2]" 1
289 1 14 ILE MG 1 15 ILE H 4.000 . 6.000 3.762 1.879 4.157 . 0 0 "[ . 1 . 2]" 1
290 1 15 ILE H 1 15 ILE HA 3.000 . 3.500 2.857 2.740 2.906 . 0 0 "[ . 1 . 2]" 1
291 1 15 ILE H 1 15 ILE HB 4.000 . 5.000 2.774 2.449 3.057 . 0 0 "[ . 1 . 2]" 1
292 1 15 ILE H 1 15 ILE QG 3.000 . 4.500 1.958 1.791 2.273 0.009 15 0 "[ . 1 . 2]" 1
293 1 15 ILE H 1 15 ILE MD 4.000 . 6.000 3.407 2.885 3.610 . 0 0 "[ . 1 . 2]" 1
294 1 15 ILE H 1 15 ILE MG 4.000 . 6.000 3.743 3.657 3.768 . 0 0 "[ . 1 . 2]" 1
295 1 15 ILE H 1 16 TRP H 2.500 . 3.000 2.768 2.632 3.036 0.036 11 0 "[ . 1 . 2]" 1
296 1 15 ILE H 1 16 TRP HA 5.000 . 6.000 5.234 5.108 5.484 . 0 0 "[ . 1 . 2]" 1
297 1 15 ILE HA 1 15 ILE MD 4.000 . 6.000 3.901 3.846 3.936 . 0 0 "[ . 1 . 2]" 1
298 1 15 ILE HA 1 15 ILE QG 3.000 . 4.500 2.615 2.399 2.780 . 0 0 "[ . 1 . 2]" 1
299 1 15 ILE HA 1 16 TRP H 3.000 . 3.500 3.532 3.527 3.538 0.038 11 0 "[ . 1 . 2]" 1
300 1 15 ILE HA 1 16 TRP HE1 5.000 . 6.000 6.033 5.953 6.083 0.083 13 0 "[ . 1 . 2]" 1
301 1 15 ILE HA 1 16 TRP HD1 5.000 . 6.000 5.618 5.572 5.676 . 0 0 "[ . 1 . 2]" 1
302 1 15 ILE HA 1 26 VAL MG1 3.000 . 4.500 3.488 2.806 4.589 0.089 20 0 "[ . 1 . 2]" 1
303 1 15 ILE HA 1 26 VAL MG2 4.000 . 6.000 4.291 2.064 5.594 . 0 0 "[ . 1 . 2]" 1
304 1 15 ILE HB 1 15 ILE MD 3.000 . 4.500 2.356 2.178 2.457 . 0 0 "[ . 1 . 2]" 1
305 1 15 ILE HB 1 16 TRP H 3.000 . 3.500 2.012 1.948 2.140 . 0 0 "[ . 1 . 2]" 1
306 1 15 ILE HB 1 16 TRP HD1 4.000 . 5.000 4.477 4.175 5.019 0.019 20 0 "[ . 1 . 2]" 1
307 1 15 ILE HB 1 16 TRP HE1 5.000 . 6.000 4.421 4.071 4.973 . 0 0 "[ . 1 . 2]" 1
308 1 15 ILE HB 1 16 TRP HE3 5.000 . 6.000 3.533 3.138 3.781 . 0 0 "[ . 1 . 2]" 1
309 1 15 ILE HB 1 16 TRP HZ2 5.000 . 6.000 4.569 4.369 4.846 . 0 0 "[ . 1 . 2]" 1
310 1 15 ILE HB 1 16 TRP HZ3 5.000 . 6.000 4.357 3.869 4.616 . 0 0 "[ . 1 . 2]" 1
311 1 15 ILE HB 1 16 TRP HH2 5.000 . 6.000 4.809 4.605 4.960 . 0 0 "[ . 1 . 2]" 1
312 1 15 ILE MD 1 16 TRP H 4.000 . 6.000 3.921 3.655 4.103 . 0 0 "[ . 1 . 2]" 1
313 1 15 ILE MD 1 16 TRP HD1 4.000 . 6.000 5.616 5.462 5.971 . 0 0 "[ . 1 . 2]" 1
314 1 15 ILE MD 1 16 TRP HE1 4.000 . 6.000 4.632 4.364 5.139 . 0 0 "[ . 1 . 2]" 1
315 1 15 ILE MD 1 16 TRP HE3 4.000 . 6.000 4.090 3.749 4.450 . 0 0 "[ . 1 . 2]" 1
316 1 15 ILE MD 1 16 TRP HH2 4.000 . 6.000 3.158 2.994 3.330 . 0 0 "[ . 1 . 2]" 1
317 1 15 ILE MD 1 16 TRP HZ2 4.000 . 6.000 3.492 3.300 3.848 . 0 0 "[ . 1 . 2]" 1
318 1 15 ILE MD 1 16 TRP HZ3 4.000 . 6.000 3.456 3.012 3.848 . 0 0 "[ . 1 . 2]" 1
319 1 15 ILE QG 1 16 TRP H 4.000 . 6.000 3.438 3.049 3.914 . 0 0 "[ . 1 . 2]" 1
320 1 15 ILE QG 1 16 TRP HD1 4.000 . 6.000 6.067 6.030 6.103 0.103 8 0 "[ . 1 . 2]" 1
321 1 15 ILE QG 1 16 TRP HE1 4.000 . 6.000 5.683 5.440 5.810 . 0 0 "[ . 1 . 2]" 1
322 1 15 ILE QG 1 16 TRP HZ2 4.000 . 6.000 5.288 4.915 5.480 . 0 0 "[ . 1 . 2]" 1
323 1 15 ILE QG 1 16 TRP HZ3 4.000 . 6.000 4.827 4.379 5.305 . 0 0 "[ . 1 . 2]" 1
324 1 15 ILE QG 1 16 TRP HH2 4.000 . 6.000 5.142 4.969 5.326 . 0 0 "[ . 1 . 2]" 1
325 1 15 ILE QG 1 15 ILE MG 2.500 . 4.000 2.272 2.041 2.374 . 0 0 "[ . 1 . 2]" 1
326 1 15 ILE MD 1 15 ILE MG 2.500 . 4.000 2.099 1.925 2.525 . 0 0 "[ . 1 . 2]" 1
327 1 15 ILE MG 1 16 TRP H 3.000 . 4.500 3.258 2.627 3.592 . 0 0 "[ . 1 . 2]" 1
328 1 15 ILE MG 1 16 TRP HD1 3.000 . 4.500 3.471 2.892 3.957 . 0 0 "[ . 1 . 2]" 1
329 1 15 ILE MG 1 16 TRP HE1 4.000 . 6.000 2.903 2.640 3.209 . 0 0 "[ . 1 . 2]" 1
330 1 15 ILE MG 1 16 TRP HE3 4.000 . 6.000 4.532 3.758 5.025 . 0 0 "[ . 1 . 2]" 1
331 1 15 ILE MG 1 16 TRP HH2 4.000 . 6.000 4.377 3.644 4.835 . 0 0 "[ . 1 . 2]" 1
332 1 15 ILE MG 1 16 TRP HZ2 4.000 . 6.000 3.356 2.814 3.686 . 0 0 "[ . 1 . 2]" 1
333 1 15 ILE MG 1 16 TRP HZ3 4.000 . 6.000 4.897 4.135 5.387 . 0 0 "[ . 1 . 2]" 1
334 1 15 ILE MG 1 26 VAL MG1 3.000 . 4.500 2.024 1.741 2.548 0.059 11 0 "[ . 1 . 2]" 1
335 1 16 TRP H 1 16 TRP HA 3.000 . 3.500 2.915 2.907 2.924 . 0 0 "[ . 1 . 2]" 1
336 1 16 TRP H 1 16 TRP HD1 4.000 . 5.000 4.247 4.172 4.375 . 0 0 "[ . 1 . 2]" 1
337 1 16 TRP H 1 16 TRP HE3 4.000 . 5.000 3.072 2.865 3.207 . 0 0 "[ . 1 . 2]" 1
338 1 16 TRP H 1 17 ARG H 4.000 . 5.000 4.226 4.136 4.323 . 0 0 "[ . 1 . 2]" 1
339 1 16 TRP H 1 26 VAL HA 4.000 . 5.000 4.711 4.503 5.008 0.008 18 0 "[ . 1 . 2]" 1
340 1 16 TRP HA 1 16 TRP HD1 4.000 . 5.000 2.702 2.607 2.822 . 0 0 "[ . 1 . 2]" 1
341 1 16 TRP HA 1 17 ARG H 2.500 . 3.000 2.135 2.119 2.163 . 0 0 "[ . 1 . 2]" 1
342 1 16 TRP HA 1 18 ILE H 4.000 . 5.000 3.301 3.213 3.413 . 0 0 "[ . 1 . 2]" 1
343 1 16 TRP HA 1 24 CYS QB 4.000 . 6.000 3.721 3.608 3.824 . 0 0 "[ . 1 . 2]" 1
344 1 16 TRP HA 1 25 ASN H 4.000 . 5.000 4.166 4.038 4.270 . 0 0 "[ . 1 . 2]" 1
345 1 16 TRP HA 1 26 VAL H 4.000 . 5.000 3.787 3.461 3.983 . 0 0 "[ . 1 . 2]" 1
346 1 16 TRP HA 1 26 VAL HA 2.500 . 3.000 2.274 2.138 2.412 . 0 0 "[ . 1 . 2]" 1
347 1 16 TRP HA 1 26 VAL HB 4.000 . 5.000 4.010 2.682 4.797 . 0 0 "[ . 1 . 2]" 1
348 1 16 TRP HA 1 26 VAL MG2 3.000 . 4.500 3.802 3.552 3.993 . 0 0 "[ . 1 . 2]" 1
349 1 16 TRP HA 1 26 VAL MG1 3.000 . 4.500 2.956 2.123 4.054 . 0 0 "[ . 1 . 2]" 1
350 1 16 TRP HB2 1 16 TRP HE3 4.000 . 5.000 2.437 2.415 2.457 . 0 0 "[ . 1 . 2]" 1
351 1 16 TRP HB3 1 16 TRP HE3 4.000 . 5.000 3.938 3.895 3.993 . 0 0 "[ . 1 . 2]" 1
352 1 16 TRP HB2 1 17 ARG H 4.000 . 5.000 4.352 4.263 4.392 . 0 0 "[ . 1 . 2]" 1
353 1 16 TRP HB3 1 17 ARG H 4.000 . 5.000 3.787 3.624 3.907 . 0 0 "[ . 1 . 2]" 1
354 1 16 TRP HB2 1 18 ILE H 4.000 . 5.000 4.780 4.565 4.944 . 0 0 "[ . 1 . 2]" 1
355 1 16 TRP HB3 1 18 ILE H 4.000 . 5.000 3.709 3.507 3.882 . 0 0 "[ . 1 . 2]" 1
356 1 16 TRP QB 1 24 CYS H 4.000 . 6.000 4.237 4.112 4.341 . 0 0 "[ . 1 . 2]" 1
357 1 16 TRP QB 1 24 CYS QB 3.000 . 4.500 1.782 1.752 1.799 0.048 20 0 "[ . 1 . 2]" 1
358 1 16 TRP QB 1 25 ASN H 4.000 . 6.000 3.143 2.963 3.283 . 0 0 "[ . 1 . 2]" 1
359 1 16 TRP QB 1 25 ASN HA 4.000 . 6.000 3.283 3.081 3.357 . 0 0 "[ . 1 . 2]" 1
360 1 16 TRP QB 1 25 ASN QB 4.000 . 6.000 4.545 4.389 4.653 . 0 0 "[ . 1 . 2]" 1
361 1 16 TRP QB 1 26 VAL H 4.000 . 6.000 4.066 3.809 4.273 . 0 0 "[ . 1 . 2]" 1
362 1 16 TRP QB 1 26 VAL HA 4.000 . 6.000 4.060 3.947 4.139 . 0 0 "[ . 1 . 2]" 1
363 1 16 TRP QB 1 26 VAL MG1 4.000 . 6.000 3.898 3.452 4.513 . 0 0 "[ . 1 . 2]" 1
364 1 16 TRP QB 1 26 VAL MG2 4.000 . 6.000 4.389 4.139 4.803 . 0 0 "[ . 1 . 2]" 1
365 1 16 TRP HD1 1 24 CYS HB2 4.000 . 5.000 4.948 4.692 5.033 0.033 18 0 "[ . 1 . 2]" 1
366 1 16 TRP HD1 1 24 CYS HB3 4.000 . 5.000 4.828 4.750 4.969 . 0 0 "[ . 1 . 2]" 1
367 1 16 TRP HD1 1 25 ASN H 4.000 . 5.000 4.709 4.544 4.786 . 0 0 "[ . 1 . 2]" 1
368 1 16 TRP HD1 1 25 ASN HA 2.500 . 3.000 2.892 2.633 3.022 0.022 18 0 "[ . 1 . 2]" 1
369 1 16 TRP HD1 1 25 ASN QB 4.000 . 6.000 4.439 4.280 4.571 . 0 0 "[ . 1 . 2]" 1
370 1 16 TRP HD1 1 26 VAL H 2.500 . 3.000 2.217 1.795 2.571 0.005 5 0 "[ . 1 . 2]" 1
371 1 16 TRP HD1 1 26 VAL HA 3.000 . 3.500 3.046 2.860 3.255 . 0 0 "[ . 1 . 2]" 1
372 1 16 TRP HD1 1 26 VAL HB 4.000 . 5.000 3.302 2.077 4.031 . 0 0 "[ . 1 . 2]" 1
373 1 16 TRP HD1 1 26 VAL MG2 4.000 . 6.000 2.519 1.777 3.859 0.023 3 0 "[ . 1 . 2]" 1
374 1 16 TRP HD1 1 26 VAL MG1 3.000 . 4.500 2.190 1.967 2.502 . 0 0 "[ . 1 . 2]" 1
375 1 16 TRP HE1 1 25 ASN HA 4.000 . 5.000 4.835 4.631 5.004 0.004 3 0 "[ . 1 . 2]" 1
376 1 16 TRP HE1 1 26 VAL H 4.000 . 5.000 4.011 3.597 4.413 . 0 0 "[ . 1 . 2]" 1
377 1 16 TRP HE1 1 26 VAL HA 4.000 . 5.000 5.060 4.887 5.156 0.156 8 0 "[ . 1 . 2]" 1
378 1 16 TRP HE1 1 26 VAL HB 4.000 . 5.000 4.103 3.021 4.822 . 0 0 "[ . 1 . 2]" 1
379 1 16 TRP HE1 1 26 VAL MG2 4.000 . 6.000 2.828 2.030 4.150 . 0 0 "[ . 1 . 2]" 1
380 1 16 TRP HE1 1 26 VAL MG1 3.000 . 4.500 2.448 1.940 2.893 . 0 0 "[ . 1 . 2]" 1
381 1 16 TRP HE3 1 24 CYS HB2 4.000 . 5.000 3.877 3.470 4.144 . 0 0 "[ . 1 . 2]" 1
382 1 16 TRP HE3 1 24 CYS HB3 4.000 . 5.000 4.280 4.117 4.441 . 0 0 "[ . 1 . 2]" 1
383 1 16 TRP HE3 1 26 VAL MG2 4.000 . 6.000 6.073 6.042 6.101 0.101 11 0 "[ . 1 . 2]" 1
384 1 16 TRP HE3 1 26 VAL MG1 4.000 . 6.000 5.424 4.961 6.014 0.014 6 0 "[ . 1 . 2]" 1
385 1 16 TRP HZ2 1 26 VAL MG2 4.000 . 6.000 4.905 4.491 5.546 . 0 0 "[ . 1 . 2]" 1
386 1 16 TRP HZ2 1 26 VAL MG1 4.000 . 6.000 4.386 4.147 4.619 . 0 0 "[ . 1 . 2]" 1
387 1 16 TRP HH2 1 26 VAL MG1 4.000 . 6.000 5.974 5.778 6.038 0.038 17 0 "[ . 1 . 2]" 1
388 1 17 ARG H 1 17 ARG QB 3.000 . 4.500 3.013 2.445 3.100 . 0 0 "[ . 1 . 2]" 1
389 1 17 ARG H 1 17 ARG QG 4.000 . 6.000 2.197 1.960 3.987 . 0 0 "[ . 1 . 2]" 1
390 1 17 ARG H 1 17 ARG QD 4.000 . 6.000 3.628 1.958 4.815 . 0 0 "[ . 1 . 2]" 1
391 1 17 ARG H 1 18 ILE H 2.500 . 3.000 2.146 1.997 2.300 . 0 0 "[ . 1 . 2]" 1
392 1 17 ARG H 1 18 ILE MD 4.000 . 6.000 3.631 2.059 4.001 . 0 0 "[ . 1 . 2]" 1
393 1 17 ARG H 1 25 ASN H 4.000 . 5.000 4.197 3.999 4.345 . 0 0 "[ . 1 . 2]" 1
394 1 17 ARG H 1 26 VAL HA 2.500 . 3.000 2.975 2.847 3.042 0.042 18 0 "[ . 1 . 2]" 1
395 1 17 ARG H 1 26 VAL MG1 4.000 . 6.000 4.407 3.633 5.405 . 0 0 "[ . 1 . 2]" 1
396 1 17 ARG H 1 26 VAL MG2 4.000 . 6.000 4.991 4.289 5.391 . 0 0 "[ . 1 . 2]" 1
397 1 17 ARG HA 1 18 ILE H 3.000 . 3.500 3.182 3.128 3.242 . 0 0 "[ . 1 . 2]" 1
398 1 17 ARG HA 1 18 ILE QG 4.000 . 6.000 4.847 4.645 5.291 . 0 0 "[ . 1 . 2]" 1
399 1 17 ARG HA 1 18 ILE MD 4.000 . 6.000 4.508 3.970 4.844 . 0 0 "[ . 1 . 2]" 1
400 1 17 ARG HA 1 24 CYS QB 4.000 . 6.000 4.089 3.912 4.259 . 0 0 "[ . 1 . 2]" 1
401 1 17 ARG QB 1 17 ARG QD 3.000 . 4.500 2.114 1.939 2.394 . 0 0 "[ . 1 . 2]" 1
402 1 17 ARG HB2 1 18 ILE H 4.000 . 5.000 4.307 3.867 4.515 . 0 0 "[ . 1 . 2]" 1
403 1 17 ARG HB3 1 18 ILE H 4.000 . 5.000 4.510 3.753 4.588 . 0 0 "[ . 1 . 2]" 1
404 1 17 ARG QB 1 18 ILE MD 4.000 . 6.000 3.524 2.812 3.790 . 0 0 "[ . 1 . 2]" 1
405 1 17 ARG QB 1 25 ASN H 4.000 . 6.000 5.982 5.560 6.021 0.021 4 0 "[ . 1 . 2]" 1
406 1 17 ARG QG 1 18 ILE H 4.000 . 6.000 3.370 3.096 4.199 . 0 0 "[ . 1 . 2]" 1
407 1 17 ARG QG 1 18 ILE MD 4.000 . 6.000 2.502 1.883 4.267 . 0 0 "[ . 1 . 2]" 1
408 1 17 ARG QG 1 25 ASN H 4.000 . 6.000 5.528 5.346 6.047 0.047 3 0 "[ . 1 . 2]" 1
409 1 17 ARG QD 1 18 ILE MD 4.000 . 6.000 3.799 2.139 4.728 . 0 0 "[ . 1 . 2]" 1
410 1 18 ILE H 1 18 ILE HA 3.000 . 3.500 2.942 2.938 2.948 . 0 0 "[ . 1 . 2]" 1
411 1 18 ILE H 1 18 ILE HB 4.000 . 5.000 2.644 2.518 2.709 . 0 0 "[ . 1 . 2]" 1
412 1 18 ILE H 1 18 ILE HG12 4.000 . 5.000 2.780 2.303 4.281 . 0 0 "[ . 1 . 2]" 1
413 1 18 ILE H 1 18 ILE HG13 4.000 . 5.000 3.893 3.542 4.148 . 0 0 "[ . 1 . 2]" 1
414 1 18 ILE H 1 18 ILE MD 4.000 . 6.000 3.202 2.126 3.480 . 0 0 "[ . 1 . 2]" 1
415 1 18 ILE H 1 18 ILE MG 4.000 . 6.000 3.845 3.795 3.868 . 0 0 "[ . 1 . 2]" 1
416 1 18 ILE H 1 19 CYS H 4.000 . 5.000 3.816 3.761 3.887 . 0 0 "[ . 1 . 2]" 1
417 1 18 ILE H 1 19 CYS HA 4.000 . 5.000 4.681 4.628 4.734 . 0 0 "[ . 1 . 2]" 1
418 1 18 ILE H 1 24 CYS HA 4.000 . 5.000 3.790 3.724 3.853 . 0 0 "[ . 1 . 2]" 1
419 1 18 ILE H 1 20 ARG H 4.000 . 5.000 5.057 5.048 5.073 0.073 6 0 "[ . 1 . 2]" 1
420 1 18 ILE H 1 24 CYS QB 4.000 . 6.000 3.777 3.615 3.883 . 0 0 "[ . 1 . 2]" 1
421 1 18 ILE H 1 25 ASN H 2.500 . 3.000 2.471 2.281 2.566 . 0 0 "[ . 1 . 2]" 1
422 1 18 ILE H 1 25 ASN HA 4.000 . 5.000 4.539 4.431 4.589 . 0 0 "[ . 1 . 2]" 1
423 1 18 ILE H 1 25 ASN QB 4.000 . 6.000 3.666 3.427 3.794 . 0 0 "[ . 1 . 2]" 1
424 1 18 ILE H 1 26 VAL HA 4.000 . 5.000 4.053 3.880 4.221 . 0 0 "[ . 1 . 2]" 1
425 1 18 ILE H 1 27 ILE H 4.000 . 5.000 4.700 4.310 5.014 0.014 2 0 "[ . 1 . 2]" 1
426 1 18 ILE HA 1 18 ILE MD 4.000 . 6.000 2.250 1.987 3.250 . 0 0 "[ . 1 . 2]" 1
427 1 18 ILE HA 1 19 CYS H 2.500 . 3.000 2.290 2.249 2.305 . 0 0 "[ . 1 . 2]" 1
428 1 18 ILE HA 1 25 ASN H 4.000 . 5.000 4.147 4.069 4.206 . 0 0 "[ . 1 . 2]" 1
429 1 18 ILE HB 1 18 ILE MD 3.000 . 4.500 3.084 2.272 3.230 . 0 0 "[ . 1 . 2]" 1
430 1 18 ILE HB 1 19 CYS H 4.000 . 5.000 4.434 4.392 4.499 . 0 0 "[ . 1 . 2]" 1
431 1 18 ILE HB 1 25 ASN H 2.500 . 3.000 2.675 2.573 2.777 . 0 0 "[ . 1 . 2]" 1
432 1 18 ILE HB 1 25 ASN HA 4.000 . 5.000 4.083 3.971 4.242 . 0 0 "[ . 1 . 2]" 1
433 1 18 ILE HB 1 25 ASN HB2 2.500 . 3.000 1.753 1.735 1.761 0.065 3 0 "[ . 1 . 2]" 1
434 1 18 ILE HB 1 25 ASN HB3 2.500 . 3.000 3.001 2.465 3.036 0.036 20 0 "[ . 1 . 2]" 1
435 1 18 ILE HB 1 25 ASN HD21 4.000 . 5.000 3.657 3.614 3.796 . 0 0 "[ . 1 . 2]" 1
436 1 18 ILE HB 1 25 ASN HD22 4.000 . 5.000 5.076 5.063 5.127 0.127 3 0 "[ . 1 . 2]" 1
437 1 18 ILE HB 1 26 VAL H 4.000 . 5.000 4.619 4.428 4.951 . 0 0 "[ . 1 . 2]" 1
438 1 18 ILE HB 1 26 VAL HA 4.000 . 5.000 4.689 4.517 5.008 0.008 3 0 "[ . 1 . 2]" 1
439 1 18 ILE HB 1 27 ILE H 3.000 . 3.500 3.419 3.178 3.520 0.020 9 0 "[ . 1 . 2]" 1
440 1 18 ILE QG 1 19 CYS H 4.000 . 6.000 4.798 4.411 4.901 . 0 0 "[ . 1 . 2]" 1
441 1 18 ILE QG 1 25 ASN H 4.000 . 6.000 4.106 3.880 4.716 . 0 0 "[ . 1 . 2]" 1
442 1 18 ILE QG 1 25 ASN QB 4.000 . 6.000 3.277 3.107 3.610 . 0 0 "[ . 1 . 2]" 1
443 1 18 ILE QG 1 26 VAL HA 4.000 . 6.000 3.765 3.244 5.081 . 0 0 "[ . 1 . 2]" 1
444 1 18 ILE QG 1 27 ILE H 4.000 . 6.000 3.061 2.530 3.934 . 0 0 "[ . 1 . 2]" 1
445 1 18 ILE QG 1 27 ILE HA 4.000 . 6.000 4.203 3.743 5.208 . 0 0 "[ . 1 . 2]" 1
446 1 18 ILE MD 1 19 CYS H 4.000 . 6.000 4.145 3.881 4.846 . 0 0 "[ . 1 . 2]" 1
447 1 18 ILE MD 1 25 ASN HB2 4.000 . 6.000 4.429 3.374 4.656 . 0 0 "[ . 1 . 2]" 1
448 1 18 ILE MD 1 25 ASN HB3 4.000 . 6.000 5.096 3.622 5.484 . 0 0 "[ . 1 . 2]" 1
449 1 18 ILE MD 1 27 ILE H 4.000 . 6.000 4.225 1.932 4.980 . 0 0 "[ . 1 . 2]" 1
450 1 18 ILE MD 1 27 ILE HA 4.000 . 6.000 5.018 3.423 5.495 . 0 0 "[ . 1 . 2]" 1
451 1 18 ILE QG 1 18 ILE MG 2.500 . 4.000 2.216 2.007 2.381 . 0 0 "[ . 1 . 2]" 1
452 1 18 ILE MG 1 19 CYS H 3.000 . 4.500 3.540 3.428 3.604 . 0 0 "[ . 1 . 2]" 1
453 1 18 ILE MG 1 19 CYS HA 4.000 . 6.000 4.483 4.337 4.628 . 0 0 "[ . 1 . 2]" 1
454 1 18 ILE MG 1 19 CYS QB 4.000 . 6.000 4.597 4.515 4.667 . 0 0 "[ . 1 . 2]" 1
455 1 18 ILE MG 1 20 ARG H 4.000 . 6.000 3.461 3.188 3.673 . 0 0 "[ . 1 . 2]" 1
456 1 18 ILE MG 1 20 ARG HA 4.000 . 6.000 3.650 3.488 3.763 . 0 0 "[ . 1 . 2]" 1
457 1 18 ILE MG 1 20 ARG QB 3.000 . 4.500 2.920 2.506 3.974 . 0 0 "[ . 1 . 2]" 1
458 1 18 ILE MG 1 20 ARG QG 4.000 . 6.000 3.473 1.834 4.181 . 0 0 "[ . 1 . 2]" 1
459 1 18 ILE MG 1 20 ARG QD 4.000 . 6.000 3.066 2.160 4.920 . 0 0 "[ . 1 . 2]" 1
460 1 18 ILE MG 1 25 ASN H 4.000 . 6.000 3.782 3.569 3.972 . 0 0 "[ . 1 . 2]" 1
461 1 18 ILE MG 1 25 ASN QB 3.000 . 4.500 2.551 2.249 2.851 . 0 0 "[ . 1 . 2]" 1
462 1 18 ILE MG 1 27 ILE H 4.000 . 6.000 4.168 3.838 4.392 . 0 0 "[ . 1 . 2]" 1
463 1 18 ILE MG 1 27 ILE HA 4.000 . 6.000 5.485 4.905 5.923 . 0 0 "[ . 1 . 2]" 1
464 1 19 CYS H 1 19 CYS HA 3.000 . 3.500 2.799 2.786 2.820 . 0 0 "[ . 1 . 2]" 1
465 1 19 CYS H 1 19 CYS QB 3.000 . 4.500 2.229 2.211 2.238 . 0 0 "[ . 1 . 2]" 1
466 1 19 CYS H 1 20 ARG H 4.000 . 5.000 3.998 3.972 4.018 . 0 0 "[ . 1 . 2]" 1
467 1 19 CYS H 1 24 CYS HA 4.000 . 5.000 4.171 4.123 4.255 . 0 0 "[ . 1 . 2]" 1
468 1 19 CYS H 1 25 ASN H 4.000 . 5.000 4.249 4.211 4.298 . 0 0 "[ . 1 . 2]" 1
469 1 19 CYS H 1 25 ASN QB 4.000 . 6.000 5.260 5.003 5.312 . 0 0 "[ . 1 . 2]" 1
470 1 19 CYS HA 1 20 ARG H 2.500 . 3.000 2.323 2.311 2.334 . 0 0 "[ . 1 . 2]" 1
471 1 19 CYS HA 1 23 CYS H 4.000 . 5.000 4.072 4.003 4.135 . 0 0 "[ . 1 . 2]" 1
472 1 19 CYS HA 1 24 CYS QB 4.000 . 6.000 4.265 4.196 4.326 . 0 0 "[ . 1 . 2]" 1
473 1 19 CYS HA 1 25 ASN H 3.000 . 3.500 3.560 3.543 3.580 0.080 18 0 "[ . 1 . 2]" 1
474 1 19 CYS HA 1 25 ASN QD 3.000 . 4.500 3.753 3.567 4.273 . 0 0 "[ . 1 . 2]" 1
475 1 19 CYS HB2 1 20 ARG H 4.000 . 5.000 4.563 4.548 4.572 . 0 0 "[ . 1 . 2]" 1
476 1 19 CYS HB3 1 20 ARG H 4.000 . 5.000 4.523 4.515 4.536 . 0 0 "[ . 1 . 2]" 1
477 1 19 CYS QB 1 23 CYS HA 4.000 . 6.000 5.871 5.730 5.979 . 0 0 "[ . 1 . 2]" 1
478 1 19 CYS QB 1 24 CYS HA 4.000 . 6.000 4.020 3.886 4.121 . 0 0 "[ . 1 . 2]" 1
479 1 19 CYS QB 1 25 ASN H 4.000 . 6.000 5.046 4.985 5.087 . 0 0 "[ . 1 . 2]" 1
480 1 20 ARG H 1 20 ARG QB 3.000 . 4.500 2.233 2.196 2.500 . 0 0 "[ . 1 . 2]" 1
481 1 20 ARG H 1 20 ARG QG 4.000 . 6.000 3.802 2.299 4.059 . 0 0 "[ . 1 . 2]" 1
482 1 20 ARG H 1 20 ARG QD 4.000 . 6.000 4.117 3.783 4.643 . 0 0 "[ . 1 . 2]" 1
483 1 20 ARG H 1 21 ASP H 4.000 . 5.000 4.305 4.290 4.322 . 0 0 "[ . 1 . 2]" 1
484 1 20 ARG H 1 22 GLY H 4.000 . 5.000 5.054 5.050 5.057 0.057 14 0 "[ . 1 . 2]" 1
485 1 20 ARG H 1 23 CYS H 3.000 . 3.500 3.469 3.450 3.502 0.002 18 0 "[ . 1 . 2]" 1
486 1 20 ARG H 1 23 CYS HA 4.000 . 5.000 5.009 5.001 5.022 0.022 3 0 "[ . 1 . 2]" 1
487 1 20 ARG H 1 23 CYS QB 4.000 . 6.000 4.112 4.064 4.171 . 0 0 "[ . 1 . 2]" 1
488 1 20 ARG H 1 24 CYS H 4.000 . 5.000 4.816 4.779 4.854 . 0 0 "[ . 1 . 2]" 1
489 1 20 ARG H 1 24 CYS HA 3.000 . 3.500 3.178 3.113 3.251 . 0 0 "[ . 1 . 2]" 1
490 1 20 ARG H 1 24 CYS QB 4.000 . 6.000 5.125 5.045 5.181 . 0 0 "[ . 1 . 2]" 1
491 1 20 ARG H 1 25 ASN H 3.000 . 3.500 3.268 3.170 3.447 . 0 0 "[ . 1 . 2]" 1
492 1 20 ARG H 1 25 ASN QB 3.000 . 4.500 3.641 3.363 3.728 . 0 0 "[ . 1 . 2]" 1
493 1 20 ARG H 1 25 ASN QD 3.000 . 4.500 2.128 1.991 2.430 . 0 0 "[ . 1 . 2]" 1
494 1 20 ARG HA 1 20 ARG QD 4.000 . 6.000 3.383 2.564 4.176 . 0 0 "[ . 1 . 2]" 1
495 1 20 ARG HA 1 21 ASP H 3.000 . 3.500 2.925 2.904 2.957 . 0 0 "[ . 1 . 2]" 1
496 1 20 ARG HA 1 21 ASP QB 4.000 . 6.000 4.938 4.734 5.197 . 0 0 "[ . 1 . 2]" 1
497 1 20 ARG HA 1 22 GLY H 4.000 . 5.000 4.403 4.352 4.433 . 0 0 "[ . 1 . 2]" 1
498 1 20 ARG HA 1 23 CYS H 4.000 . 5.000 4.446 4.427 4.465 . 0 0 "[ . 1 . 2]" 1
499 1 20 ARG HA 1 25 ASN QD 4.000 . 6.000 4.035 3.954 4.182 . 0 0 "[ . 1 . 2]" 1
500 1 20 ARG QB 1 20 ARG QD 3.000 . 4.500 2.070 1.954 2.262 . 0 0 "[ . 1 . 2]" 1
501 1 20 ARG QB 1 21 ASP H 3.000 . 4.500 2.114 1.799 2.174 0.001 3 0 "[ . 1 . 2]" 1
502 1 20 ARG QB 1 22 GLY H 4.000 . 6.000 4.725 4.636 4.745 . 0 0 "[ . 1 . 2]" 1
503 1 20 ARG HB2 1 23 CYS H 4.000 . 5.000 4.629 3.706 4.760 . 0 0 "[ . 1 . 2]" 1
504 1 20 ARG HB3 1 23 CYS H 4.000 . 5.000 3.842 3.693 4.803 . 0 0 "[ . 1 . 2]" 1
505 1 20 ARG QB 1 25 ASN H 4.000 . 6.000 4.038 3.843 4.785 . 0 0 "[ . 1 . 2]" 1
506 1 20 ARG QB 1 25 ASN QD 3.000 . 4.500 1.838 1.798 1.884 0.002 20 0 "[ . 1 . 2]" 1
507 1 20 ARG QG 1 21 ASP H 3.000 . 4.500 2.164 1.898 3.886 . 0 0 "[ . 1 . 2]" 1
508 1 20 ARG QG 1 22 GLY H 4.000 . 6.000 5.229 5.089 6.003 0.003 6 0 "[ . 1 . 2]" 1
509 1 20 ARG QG 1 23 CYS H 4.000 . 6.000 5.056 4.964 5.171 . 0 0 "[ . 1 . 2]" 1
510 1 20 ARG QG 1 25 ASN QB 4.000 . 6.000 4.125 1.955 4.575 . 0 0 "[ . 1 . 2]" 1
511 1 20 ARG QG 1 25 ASN QD 3.000 . 4.500 3.357 1.921 3.671 . 0 0 "[ . 1 . 2]" 1
512 1 20 ARG QD 1 21 ASP H 4.000 . 6.000 3.466 2.354 4.097 . 0 0 "[ . 1 . 2]" 1
513 1 20 ARG QD 1 25 ASN QD 4.000 . 6.000 3.171 2.130 3.600 . 0 0 "[ . 1 . 2]" 1
514 1 21 ASP H 1 21 ASP HA 3.000 . 3.500 2.674 2.667 2.680 . 0 0 "[ . 1 . 2]" 1
515 1 21 ASP H 1 22 GLY H 4.000 . 5.000 3.910 3.888 3.922 . 0 0 "[ . 1 . 2]" 1
516 1 21 ASP H 1 22 GLY QA 4.000 . 6.000 5.299 5.290 5.305 . 0 0 "[ . 1 . 2]" 1
517 1 21 ASP H 1 23 CYS QB 4.000 . 6.000 4.570 4.465 4.717 . 0 0 "[ . 1 . 2]" 1
518 1 21 ASP HA 1 22 GLY H 2.500 . 3.000 2.413 2.406 2.424 . 0 0 "[ . 1 . 2]" 1
519 1 21 ASP HA 1 23 CYS H 4.000 . 5.000 4.099 4.080 4.138 . 0 0 "[ . 1 . 2]" 1
520 1 21 ASP HA 1 22 GLY HA2 4.000 . 5.000 4.541 4.535 4.548 . 0 0 "[ . 1 . 2]" 1
521 1 21 ASP HB2 1 22 GLY H 4.000 . 5.000 4.578 4.448 4.668 . 0 0 "[ . 1 . 2]" 1
522 1 21 ASP HB3 1 22 GLY H 4.000 . 5.000 4.307 4.225 4.393 . 0 0 "[ . 1 . 2]" 1
523 1 21 ASP QB 1 23 CYS H 4.000 . 6.000 4.052 4.009 4.099 . 0 0 "[ . 1 . 2]" 1
524 1 21 ASP QB 1 23 CYS HA 4.000 . 6.000 5.974 5.944 5.997 . 0 0 "[ . 1 . 2]" 1
525 1 22 GLY H 1 22 GLY HA2 3.000 . 3.500 2.291 2.289 2.292 . 0 0 "[ . 1 . 2]" 1
526 1 22 GLY H 1 22 GLY HA3 3.000 . 3.500 2.793 2.788 2.798 . 0 0 "[ . 1 . 2]" 1
527 1 22 GLY H 1 23 CYS H 2.500 . 3.000 2.746 2.735 2.755 . 0 0 "[ . 1 . 2]" 1
528 1 22 GLY H 1 23 CYS HA 5.000 . 6.000 5.327 5.317 5.336 . 0 0 "[ . 1 . 2]" 1
529 1 22 GLY H 1 23 CYS QB 4.000 . 6.000 5.017 4.910 5.133 . 0 0 "[ . 1 . 2]" 1
530 1 22 GLY HA2 1 23 CYS H 3.000 . 3.500 3.082 3.059 3.111 . 0 0 "[ . 1 . 2]" 1
531 1 22 GLY HA3 1 23 CYS H 3.000 . 3.500 3.452 3.439 3.465 . 0 0 "[ . 1 . 2]" 1
532 1 22 GLY HA2 1 23 CYS HA 4.000 . 5.000 4.402 4.389 4.409 . 0 0 "[ . 1 . 2]" 1
533 1 22 GLY HA3 1 23 CYS HA 4.000 . 5.000 4.573 4.563 4.589 . 0 0 "[ . 1 . 2]" 1
534 1 22 GLY QA 1 23 CYS QB 4.000 . 6.000 4.526 4.456 4.585 . 0 0 "[ . 1 . 2]" 1
535 1 23 CYS H 1 23 CYS HA 3.000 . 3.500 2.933 2.926 2.937 . 0 0 "[ . 1 . 2]" 1
536 1 23 CYS H 1 23 CYS QB 3.000 . 4.500 2.716 2.638 2.795 . 0 0 "[ . 1 . 2]" 1
537 1 23 CYS H 1 24 CYS H 4.000 . 5.000 4.442 4.429 4.447 . 0 0 "[ . 1 . 2]" 1
538 1 23 CYS HA 1 24 CYS H 2.500 . 3.000 2.405 2.360 2.449 . 0 0 "[ . 1 . 2]" 1
539 1 23 CYS QB 1 24 CYS H 3.000 . 4.500 2.382 2.296 2.487 . 0 0 "[ . 1 . 2]" 1
540 1 23 CYS QB 1 25 ASN H 4.000 . 6.000 5.046 4.952 5.183 . 0 0 "[ . 1 . 2]" 1
541 1 23 CYS QB 1 25 ASN QD 3.000 . 4.500 2.764 2.618 3.242 . 0 0 "[ . 1 . 2]" 1
542 1 24 CYS H 1 24 CYS HA 3.000 . 3.500 2.919 2.911 2.928 . 0 0 "[ . 1 . 2]" 1
543 1 24 CYS H 1 24 CYS QB 3.000 . 4.500 2.511 2.468 2.558 . 0 0 "[ . 1 . 2]" 1
544 1 24 CYS H 1 25 ASN H 4.000 . 5.000 4.466 4.422 4.526 . 0 0 "[ . 1 . 2]" 1
545 1 24 CYS H 1 25 ASN QD 4.000 . 6.000 4.038 3.928 4.637 . 0 0 "[ . 1 . 2]" 1
546 1 24 CYS HA 1 25 ASN H 2.500 . 3.000 2.157 2.151 2.181 . 0 0 "[ . 1 . 2]" 1
547 1 24 CYS QB 1 25 ASN H 3.000 . 4.500 3.183 3.075 3.266 . 0 0 "[ . 1 . 2]" 1
548 1 24 CYS QB 1 25 ASN QD 4.000 . 6.000 4.428 4.286 4.971 . 0 0 "[ . 1 . 2]" 1
549 1 25 ASN H 1 25 ASN HA 3.000 . 3.500 2.951 2.948 2.956 . 0 0 "[ . 1 . 2]" 1
550 1 25 ASN H 1 25 ASN QB 3.000 . 4.500 2.491 2.390 2.556 . 0 0 "[ . 1 . 2]" 1
551 1 25 ASN H 1 25 ASN HD21 4.000 . 5.000 2.446 2.306 3.257 . 0 0 "[ . 1 . 2]" 1
552 1 25 ASN H 1 27 ILE H 4.000 . 5.000 4.824 4.682 4.973 . 0 0 "[ . 1 . 2]" 1
553 1 25 ASN H 1 26 VAL H 4.000 . 5.000 4.474 4.449 4.496 . 0 0 "[ . 1 . 2]" 1
554 1 25 ASN H 1 26 VAL HA 4.000 . 5.000 4.992 4.930 5.036 0.036 11 0 "[ . 1 . 2]" 1
555 1 25 ASN HA 1 25 ASN HD21 4.000 . 5.000 3.330 3.254 3.470 . 0 0 "[ . 1 . 2]" 1
556 1 25 ASN HA 1 25 ASN HD22 4.000 . 5.000 4.002 3.952 4.045 . 0 0 "[ . 1 . 2]" 1
557 1 25 ASN HA 1 26 VAL H 2.500 . 3.000 2.230 2.171 2.283 . 0 0 "[ . 1 . 2]" 1
558 1 25 ASN HA 1 26 VAL MG2 4.000 . 6.000 4.096 3.294 5.478 . 0 0 "[ . 1 . 2]" 1
559 1 25 ASN HA 1 26 VAL MG1 4.000 . 6.000 4.249 3.649 4.730 . 0 0 "[ . 1 . 2]" 1
560 1 25 ASN HA 1 27 ILE H 4.000 . 5.000 3.861 3.782 3.974 . 0 0 "[ . 1 . 2]" 1
561 1 25 ASN QB 1 26 VAL H 3.000 . 4.500 2.816 2.624 3.055 . 0 0 "[ . 1 . 2]" 1
562 1 25 ASN QB 1 27 ILE H 3.000 . 4.500 2.392 2.132 2.625 . 0 0 "[ . 1 . 2]" 1
563 1 26 VAL H 1 26 VAL HA 3.000 . 3.500 2.905 2.880 2.911 . 0 0 "[ . 1 . 2]" 1
564 1 26 VAL H 1 26 VAL HB 4.000 . 5.000 3.240 2.855 3.502 . 0 0 "[ . 1 . 2]" 1
565 1 26 VAL H 1 26 VAL MG1 4.000 . 6.000 2.847 1.922 3.450 . 0 0 "[ . 1 . 2]" 1
566 1 26 VAL H 1 26 VAL MG2 4.000 . 6.000 2.517 1.793 3.824 0.007 7 0 "[ . 1 . 2]" 1
567 1 26 VAL H 1 27 ILE H 2.500 . 3.000 2.641 2.392 3.024 0.024 15 0 "[ . 1 . 2]" 1
568 1 26 VAL H 1 27 ILE HA 4.000 . 5.000 4.830 4.647 4.896 . 0 0 "[ . 1 . 2]" 1
569 1 26 VAL HA 1 26 VAL HB 3.000 . 3.500 2.632 2.377 2.826 . 0 0 "[ . 1 . 2]" 1
570 1 26 VAL HA 1 27 ILE H 3.000 . 3.500 3.127 2.832 3.322 . 0 0 "[ . 1 . 2]" 1
571 1 26 VAL HB 1 27 ILE H 4.000 . 5.000 4.171 3.697 4.634 . 0 0 "[ . 1 . 2]" 1
572 1 26 VAL MG2 1 27 ILE H 3.000 . 4.500 3.522 3.107 4.111 . 0 0 "[ . 1 . 2]" 1
573 1 26 VAL MG1 1 27 ILE H 3.000 . 4.500 4.182 3.568 4.484 . 0 0 "[ . 1 . 2]" 1
574 1 26 VAL MG2 1 27 ILE HB 4.000 . 6.000 4.935 4.003 6.019 0.019 5 0 "[ . 1 . 2]" 1
575 1 26 VAL MG1 1 27 ILE HB 4.000 . 6.000 5.674 4.466 6.151 0.151 7 0 "[ . 1 . 2]" 1
576 1 27 ILE H 1 27 ILE HA 3.000 . 3.500 2.860 2.657 2.909 . 0 0 "[ . 1 . 2]" 1
577 1 27 ILE H 1 27 ILE HB 3.000 . 4.000 2.665 2.239 3.663 . 0 0 "[ . 1 . 2]" 1
578 1 27 ILE H 1 27 ILE HG12 4.000 . 5.000 4.276 3.100 4.744 . 0 0 "[ . 1 . 2]" 1
579 1 27 ILE H 1 27 ILE HG13 4.000 . 5.000 3.699 1.982 4.483 . 0 0 "[ . 1 . 2]" 1
580 1 27 ILE H 1 27 ILE MD 4.000 . 6.000 3.977 2.890 4.468 . 0 0 "[ . 1 . 2]" 1
581 1 27 ILE H 1 27 ILE MG 4.000 . 6.000 2.562 1.948 3.806 . 0 0 "[ . 1 . 2]" 1
582 1 27 ILE HA 1 27 ILE MD 4.000 . 6.000 3.324 2.119 3.921 . 0 0 "[ . 1 . 2]" 1
583 1 27 ILE HB 1 27 ILE MD 3.000 . 4.500 2.222 2.063 2.380 . 0 0 "[ . 1 . 2]" 1
584 1 27 ILE QG 1 27 ILE MG 3.000 . 4.500 2.092 1.916 2.281 . 0 0 "[ . 1 . 2]" 1
585 1 27 ILE MD 1 27 ILE MG 2.500 . 4.000 2.608 2.140 3.256 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 10
_Distance_constraint_stats_list.Viol_count 95
_Distance_constraint_stats_list.Viol_total 51.987
_Distance_constraint_stats_list.Viol_max 0.058
_Distance_constraint_stats_list.Viol_rms 0.0174
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0130
_Distance_constraint_stats_list.Viol_average_violations_only 0.0274
_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 4 LEU 0.420 0.043 3 0 "[ . 1 . 2]"
1 6 CYS 0.488 0.028 18 0 "[ . 1 . 2]"
1 18 ILE 0.784 0.058 11 0 "[ . 1 . 2]"
1 20 ARG 0.908 0.048 5 0 "[ . 1 . 2]"
1 22 GLY 0.488 0.028 18 0 "[ . 1 . 2]"
1 23 CYS 0.908 0.048 5 0 "[ . 1 . 2]"
1 24 CYS 0.420 0.043 3 0 "[ . 1 . 2]"
1 25 ASN 0.784 0.058 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 CYS H 1 22 GLY O 2.000 . 2.000 2.024 2.019 2.028 0.028 18 0 "[ . 1 . 2]" 2
2 1 6 CYS N 1 22 GLY O 3.000 . 3.000 2.964 2.955 2.977 . 0 0 "[ . 1 . 2]" 2
3 1 18 ILE H 1 25 ASN O 2.000 . 2.000 2.036 2.006 2.058 0.058 11 0 "[ . 1 . 2]" 2
4 1 18 ILE N 1 25 ASN O 3.000 . 3.000 2.866 2.809 2.953 . 0 0 "[ . 1 . 2]" 2
5 1 20 ARG O 1 23 CYS H 2.000 . 2.000 2.045 2.036 2.048 0.048 5 0 "[ . 1 . 2]" 2
6 1 20 ARG O 1 23 CYS N 3.000 . 3.000 2.947 2.937 2.953 . 0 0 "[ . 1 . 2]" 2
7 1 4 LEU O 1 24 CYS H 2.000 . 2.000 1.779 1.757 1.799 0.043 3 0 "[ . 1 . 2]" 2
8 1 4 LEU O 1 24 CYS N 3.000 . 3.000 2.510 2.467 2.549 . 0 0 "[ . 1 . 2]" 2
9 1 18 ILE O 1 25 ASN H 2.000 . 2.000 1.989 1.904 2.022 0.022 3 0 "[ . 1 . 2]" 2
10 1 18 ILE O 1 25 ASN N 3.000 . 3.000 2.792 2.681 2.852 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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