NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
449877 |
2pjg   |
7399 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2pjg
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 786
_Distance_constraint_stats_list.Viol_count 735
_Distance_constraint_stats_list.Viol_total 692.874
_Distance_constraint_stats_list.Viol_max 0.489
_Distance_constraint_stats_list.Viol_rms 0.0177
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0471
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.004 0.004 12 0 "[ . 1 . 2]"
1 3 GLU 0.752 0.142 15 0 "[ . 1 . 2]"
1 4 CYS 1.597 0.142 15 0 "[ . 1 . 2]"
1 5 ASP 0.457 0.218 3 0 "[ . 1 . 2]"
1 6 CYS 0.734 0.095 18 0 "[ . 1 . 2]"
1 7 SER 0.730 0.095 18 0 "[ . 1 . 2]"
1 8 SER 0.330 0.053 8 0 "[ . 1 . 2]"
1 9 PRO 0.007 0.007 13 0 "[ . 1 . 2]"
1 10 GLU 0.216 0.048 8 0 "[ . 1 . 2]"
1 11 ASN 0.683 0.053 8 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 2.186 0.159 5 0 "[ . 1 . 2]"
1 14 CYS 0.634 0.073 3 0 "[ . 1 . 2]"
1 15 ASP 0.864 0.090 19 0 "[ . 1 . 2]"
1 16 ALA 0.007 0.007 13 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 THR 0.304 0.090 19 0 "[ . 1 . 2]"
1 19 CYS 0.035 0.017 4 0 "[ . 1 . 2]"
1 20 LYS 0.505 0.098 20 0 "[ . 1 . 2]"
1 21 LEU 0.972 0.218 3 0 "[ . 1 . 2]"
1 22 ARG 0.083 0.051 20 0 "[ . 1 . 2]"
1 23 PRO 0.020 0.013 20 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 1.712 0.115 17 0 "[ . 1 . 2]"
1 26 GLN 1.657 0.075 17 0 "[ . 1 . 2]"
1 27 CYS 1.349 0.080 14 0 "[ . 1 . 2]"
1 28 GLY 2.624 0.159 5 0 "[ . 1 . 2]"
1 29 GLU 5.224 0.472 17 0 "[ . 1 . 2]"
1 30 GLY 3.918 0.472 17 0 "[ . 1 . 2]"
1 31 LEU 1.978 0.468 20 0 "[ . 1 . 2]"
1 32 CYS 0.675 0.468 20 0 "[ . 1 . 2]"
1 33 CYS 0.856 0.080 14 0 "[ . 1 . 2]"
1 34 GLU 0.816 0.104 17 0 "[ . 1 . 2]"
1 35 GLN 0.809 0.104 17 0 "[ . 1 . 2]"
1 36 CYS 2.095 0.115 17 0 "[ . 1 . 2]"
1 37 LYS 0.196 0.049 20 0 "[ . 1 . 2]"
1 38 PHE 1.660 0.084 20 0 "[ . 1 . 2]"
1 39 SER 0.635 0.317 4 0 "[ . 1 . 2]"
1 40 ARG 0.574 0.084 20 0 "[ . 1 . 2]"
1 41 ALA 2.380 0.130 3 0 "[ . 1 . 2]"
1 42 GLY 1.047 0.082 3 0 "[ . 1 . 2]"
1 43 LYS 1.112 0.317 4 0 "[ . 1 . 2]"
1 44 ILE 0.345 0.054 9 0 "[ . 1 . 2]"
1 45 CYS 2.868 0.335 5 0 "[ . 1 . 2]"
1 46 ARG 0.632 0.074 17 0 "[ . 1 . 2]"
1 47 ILE 0.852 0.217 6 0 "[ . 1 . 2]"
1 48 PRO 1.084 0.217 6 0 "[ . 1 . 2]"
1 49 ARG 0.359 0.119 11 0 "[ . 1 . 2]"
1 50 GLY 0.218 0.074 15 0 "[ . 1 . 2]"
1 51 GLU 1.209 0.489 5 0 "[ . 1 . 2]"
1 52 MET 2.011 0.489 5 0 "[ . 1 . 2]"
1 53 PRO 1.158 0.147 4 0 "[ . 1 . 2]"
1 54 ASP 1.346 0.146 15 0 "[ . 1 . 2]"
1 55 ASP 0.068 0.027 6 0 "[ . 1 . 2]"
1 56 ARG 3.781 0.130 3 0 "[ . 1 . 2]"
1 57 CYS 0.653 0.088 10 0 "[ . 1 . 2]"
1 58 THR 1.766 0.484 19 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLN 0.306 0.234 19 0 "[ . 1 . 2]"
1 61 SER 2.084 0.484 19 0 "[ . 1 . 2]"
1 62 ALA 0.181 0.074 5 0 "[ . 1 . 2]"
1 63 ASP 0.446 0.204 5 0 "[ . 1 . 2]"
1 64 CYS 1.274 0.144 3 0 "[ . 1 . 2]"
1 65 PRO 2.032 0.342 18 0 "[ . 1 . 2]"
1 66 ARG 1.563 0.426 9 0 "[ . 1 . 2]"
1 67 TYR 0.164 0.147 4 0 "[ . 1 . 2]"
1 68 HIS 0.447 0.426 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS H 1 3 GLU H 4.200 2.400 6.000 3.738 2.396 4.581 0.004 12 0 "[ . 1 . 2]" 1
2 1 3 GLU H 1 4 CYS H 3.500 . 5.000 2.216 1.964 3.133 0.036 15 0 "[ . 1 . 2]" 1
3 1 4 CYS H 1 5 ASP H 3.500 . 5.000 4.073 3.498 4.393 . 0 0 "[ . 1 . 2]" 1
4 1 5 ASP H 1 6 CYS H 3.500 . 5.000 2.279 1.978 2.667 0.022 10 0 "[ . 1 . 2]" 1
5 1 6 CYS H 1 7 SER H 4.200 2.400 6.000 4.375 4.038 4.537 . 0 0 "[ . 1 . 2]" 1
6 1 7 SER H 1 8 SER H 3.500 . 5.000 2.332 1.957 2.921 0.043 8 0 "[ . 1 . 2]" 1
7 1 10 GLU H 1 11 ASN H 2.600 . 3.400 2.399 1.864 3.156 . 0 0 "[ . 1 . 2]" 1
8 1 13 CYS H 1 14 CYS H 2.600 . 3.400 2.524 2.013 2.731 . 0 0 "[ . 1 . 2]" 1
9 1 14 CYS H 1 15 ASP H 4.200 2.400 6.000 4.374 4.201 4.496 . 0 0 "[ . 1 . 2]" 1
10 1 15 ASP H 1 16 ALA H 3.500 . 5.000 4.514 4.217 4.651 . 0 0 "[ . 1 . 2]" 1
11 1 16 ALA H 1 17 ALA H 3.500 . 5.000 2.541 2.307 2.672 . 0 0 "[ . 1 . 2]" 1
12 1 17 ALA H 1 18 THR H 2.600 . 3.400 2.785 2.460 2.997 . 0 0 "[ . 1 . 2]" 1
13 1 18 THR H 1 19 CYS H 2.600 . 3.400 2.111 1.871 2.421 . 0 0 "[ . 1 . 2]" 1
14 1 19 CYS H 1 20 LYS H 3.500 . 5.000 2.654 2.478 2.791 . 0 0 "[ . 1 . 2]" 1
15 1 20 LYS H 1 21 LEU H 4.200 2.400 6.000 4.481 4.390 4.554 . 0 0 "[ . 1 . 2]" 1
16 1 21 LEU H 1 22 ARG H 4.200 2.400 6.000 4.595 4.559 4.639 . 0 0 "[ . 1 . 2]" 1
17 1 24 GLY H 1 25 ALA H 3.500 . 5.000 2.873 2.650 3.520 . 0 0 "[ . 1 . 2]" 1
18 1 25 ALA H 1 26 GLN H 3.500 . 5.000 4.624 4.369 4.683 . 0 0 "[ . 1 . 2]" 1
19 1 26 GLN H 1 27 CYS H 2.600 . 3.400 2.408 2.194 2.589 . 0 0 "[ . 1 . 2]" 1
20 1 27 CYS H 1 28 GLY H 4.200 2.400 6.000 4.204 3.963 4.373 . 0 0 "[ . 1 . 2]" 1
21 1 28 GLY H 1 29 GLU H 2.600 . 3.400 2.294 2.027 2.566 . 0 0 "[ . 1 . 2]" 1
22 1 29 GLU H 1 30 GLY H 4.200 2.400 6.000 4.332 4.041 4.397 . 0 0 "[ . 1 . 2]" 1
23 1 30 GLY H 1 31 LEU H 4.200 2.400 6.000 4.348 4.213 4.562 . 0 0 "[ . 1 . 2]" 1
24 1 31 LEU H 1 32 CYS H 3.500 . 5.000 2.535 1.998 2.701 0.002 5 0 "[ . 1 . 2]" 1
25 1 32 CYS H 1 33 CYS H 3.500 . 5.000 2.996 2.122 3.590 . 0 0 "[ . 1 . 2]" 1
26 1 33 CYS H 1 34 GLU H 4.200 2.400 6.000 4.169 3.980 4.582 . 0 0 "[ . 1 . 2]" 1
27 1 34 GLU H 1 35 GLN H 4.200 2.400 6.000 4.411 4.205 4.494 . 0 0 "[ . 1 . 2]" 1
28 1 35 GLN H 1 36 CYS H 3.500 . 5.000 2.635 2.555 2.746 . 0 0 "[ . 1 . 2]" 1
29 1 36 CYS H 1 37 LYS H 3.500 . 5.000 2.648 2.590 2.727 . 0 0 "[ . 1 . 2]" 1
30 1 37 LYS H 1 38 PHE H 4.200 2.400 6.000 4.479 4.417 4.558 . 0 0 "[ . 1 . 2]" 1
31 1 38 PHE H 1 39 SER H 4.200 2.400 6.000 4.499 4.379 4.586 . 0 0 "[ . 1 . 2]" 1
32 1 39 SER H 1 40 ARG H 4.200 2.400 6.000 4.555 4.278 4.699 . 0 0 "[ . 1 . 2]" 1
33 1 42 GLY H 1 43 LYS H 3.500 . 5.000 2.470 2.388 2.504 . 0 0 "[ . 1 . 2]" 1
34 1 43 LYS H 1 44 ILE H 4.200 2.400 6.000 4.395 4.276 4.469 . 0 0 "[ . 1 . 2]" 1
35 1 44 ILE H 1 45 CYS H 4.200 2.400 6.000 4.530 4.438 4.593 . 0 0 "[ . 1 . 2]" 1
36 1 45 CYS H 1 46 ARG H 3.500 . 5.000 1.988 1.926 2.196 0.074 17 0 "[ . 1 . 2]" 1
37 1 46 ARG H 1 47 ILE H 3.500 . 5.000 4.201 3.546 4.431 . 0 0 "[ . 1 . 2]" 1
38 1 50 GLY H 1 51 GLU H 4.200 2.400 6.000 3.594 2.377 4.633 0.023 10 0 "[ . 1 . 2]" 1
39 1 54 ASP H 1 55 ASP H 3.500 . 5.000 4.543 4.186 4.706 . 0 0 "[ . 1 . 2]" 1
40 1 56 ARG H 1 57 CYS H 4.200 2.400 6.000 4.300 3.933 4.530 . 0 0 "[ . 1 . 2]" 1
41 1 57 CYS H 1 58 THR H 4.200 2.400 6.000 4.670 4.639 4.691 . 0 0 "[ . 1 . 2]" 1
42 1 58 THR H 1 59 GLY H 3.500 . 5.000 2.567 2.396 2.696 . 0 0 "[ . 1 . 2]" 1
43 1 59 GLY H 1 60 GLN H 3.500 . 5.000 3.282 2.656 3.598 . 0 0 "[ . 1 . 2]" 1
44 1 60 GLN H 1 61 SER H 2.600 . 3.400 2.410 1.878 2.645 . 0 0 "[ . 1 . 2]" 1
45 1 61 SER H 1 62 ALA H 4.200 2.400 6.000 4.393 3.909 4.584 . 0 0 "[ . 1 . 2]" 1
46 1 62 ALA H 1 63 ASP H 3.500 . 5.000 2.592 2.340 2.875 . 0 0 "[ . 1 . 2]" 1
47 1 63 ASP H 1 64 CYS H 4.200 2.400 6.000 4.564 4.472 4.633 . 0 0 "[ . 1 . 2]" 1
48 1 66 ARG H 1 67 TYR H 3.500 . 5.000 4.324 3.305 4.613 . 0 0 "[ . 1 . 2]" 1
49 1 67 TYR H 1 68 HIS H 3.500 . 5.000 3.015 2.267 4.063 . 0 0 "[ . 1 . 2]" 1
50 1 3 GLU HA 1 4 CYS H 2.600 . 3.400 3.258 2.773 3.542 0.142 15 0 "[ . 1 . 2]" 1
51 1 4 CYS HA 1 5 ASP H 2.600 . 3.400 2.223 2.168 2.352 . 0 0 "[ . 1 . 2]" 1
52 1 6 CYS HA 1 7 SER H 3.500 . 5.000 2.413 2.194 2.759 . 0 0 "[ . 1 . 2]" 1
53 1 7 SER HA 1 8 SER H 3.500 . 5.000 3.268 2.886 3.549 . 0 0 "[ . 1 . 2]" 1
54 1 9 PRO HA 1 10 GLU H 3.500 . 5.000 3.440 2.964 3.586 . 0 0 "[ . 1 . 2]" 1
55 1 10 GLU HA 1 11 ASN H 3.500 . 5.000 3.297 2.806 3.495 . 0 0 "[ . 1 . 2]" 1
56 1 12 PRO HA 1 13 CYS H 3.500 . 5.000 3.434 3.173 3.563 . 0 0 "[ . 1 . 2]" 1
57 1 13 CYS HA 1 14 CYS H 3.500 . 5.000 3.387 3.169 3.546 . 0 0 "[ . 1 . 2]" 1
58 1 14 CYS HA 1 15 ASP H 2.600 . 3.400 2.289 2.157 2.626 . 0 0 "[ . 1 . 2]" 1
59 1 15 ASP HA 1 16 ALA H 2.600 . 3.400 2.202 2.185 2.255 . 0 0 "[ . 1 . 2]" 1
60 1 16 ALA HA 1 17 ALA H 3.500 . 5.000 3.513 3.426 3.583 . 0 0 "[ . 1 . 2]" 1
61 1 19 CYS HA 1 20 LYS H 3.500 . 5.000 3.046 2.845 3.173 . 0 0 "[ . 1 . 2]" 1
62 1 20 LYS HA 1 21 LEU H 2.600 . 3.400 2.533 2.299 2.737 . 0 0 "[ . 1 . 2]" 1
63 1 21 LEU HA 1 22 ARG H 2.600 . 3.400 2.199 2.160 2.234 . 0 0 "[ . 1 . 2]" 1
64 1 23 PRO HA 1 24 GLY H 2.600 . 3.400 2.790 2.664 2.865 . 0 0 "[ . 1 . 2]" 1
65 1 25 ALA HA 1 26 GLN H 2.600 . 3.400 2.278 2.202 2.419 . 0 0 "[ . 1 . 2]" 1
66 1 26 GLN HA 1 27 CYS H 3.500 . 5.000 3.422 3.328 3.506 . 0 0 "[ . 1 . 2]" 1
67 1 27 CYS HA 1 28 GLY H 2.600 . 3.400 2.249 2.188 2.354 . 0 0 "[ . 1 . 2]" 1
68 1 29 GLU HA 1 30 GLY H 2.600 . 3.400 2.455 2.314 3.147 . 0 0 "[ . 1 . 2]" 1
69 1 31 LEU HA 1 32 CYS H 3.500 . 5.000 3.476 3.329 3.579 . 0 0 "[ . 1 . 2]" 1
70 1 32 CYS HA 1 33 CYS H 3.500 . 5.000 2.737 2.494 3.418 . 0 0 "[ . 1 . 2]" 1
71 1 33 CYS HA 1 34 GLU H 2.600 . 3.400 2.201 2.176 2.239 . 0 0 "[ . 1 . 2]" 1
72 1 34 GLU HA 1 35 GLN H 2.600 . 3.400 2.212 2.175 2.253 . 0 0 "[ . 1 . 2]" 1
73 1 35 GLN HA 1 36 CYS H 3.500 . 5.000 2.933 2.787 3.012 . 0 0 "[ . 1 . 2]" 1
74 1 36 CYS HA 1 37 LYS H 3.500 . 5.000 2.986 2.794 3.274 . 0 0 "[ . 1 . 2]" 1
75 1 37 LYS HA 1 38 PHE H 2.600 . 3.400 2.395 2.319 2.485 . 0 0 "[ . 1 . 2]" 1
76 1 38 PHE HA 1 39 SER H 2.600 . 3.400 2.202 2.184 2.224 . 0 0 "[ . 1 . 2]" 1
77 1 39 SER HA 1 40 ARG H 2.600 . 3.400 2.735 2.444 3.075 . 0 0 "[ . 1 . 2]" 1
78 1 40 ARG HA 1 41 ALA H 2.600 . 3.400 2.307 2.229 2.391 . 0 0 "[ . 1 . 2]" 1
79 1 41 ALA HA 1 42 GLY H 2.600 . 3.400 2.491 2.406 2.577 . 0 0 "[ . 1 . 2]" 1
80 1 43 LYS HA 1 44 ILE H 3.500 . 5.000 2.184 2.167 2.200 . 0 0 "[ . 1 . 2]" 1
81 1 44 ILE HA 1 45 CYS H 2.600 . 3.400 2.187 2.162 2.208 . 0 0 "[ . 1 . 2]" 1
82 1 45 CYS HA 1 46 ARG H 3.500 . 5.000 3.410 3.303 3.492 . 0 0 "[ . 1 . 2]" 1
83 1 46 ARG HA 1 47 ILE H 3.500 . 5.000 2.409 2.177 3.405 . 0 0 "[ . 1 . 2]" 1
84 1 49 ARG HA 1 50 GLY H 2.600 . 3.400 2.591 2.190 3.474 0.074 15 0 "[ . 1 . 2]" 1
85 1 51 GLU HA 1 52 MET H 2.600 . 3.400 3.066 2.500 3.492 0.092 14 0 "[ . 1 . 2]" 1
86 1 53 PRO HA 1 54 ASP H 2.600 . 3.400 2.424 2.210 2.809 . 0 0 "[ . 1 . 2]" 1
87 1 54 ASP HA 1 55 ASP H 2.600 . 3.400 2.345 2.187 2.685 . 0 0 "[ . 1 . 2]" 1
88 1 55 ASP HA 1 56 ARG H 2.600 . 3.400 2.238 2.184 2.356 . 0 0 "[ . 1 . 2]" 1
89 1 56 ARG HA 1 57 CYS H 2.600 . 3.400 2.194 2.172 2.231 . 0 0 "[ . 1 . 2]" 1
90 1 57 CYS HA 1 58 THR H 2.600 . 3.400 2.360 2.274 2.430 . 0 0 "[ . 1 . 2]" 1
91 1 60 GLN HA 1 61 SER H 3.500 . 5.000 3.362 3.260 3.438 . 0 0 "[ . 1 . 2]" 1
92 1 61 SER HA 1 62 ALA H 3.500 . 5.000 2.220 2.192 2.345 . 0 0 "[ . 1 . 2]" 1
93 1 63 ASP HA 1 64 CYS H 2.600 . 3.400 2.600 2.481 2.743 . 0 0 "[ . 1 . 2]" 1
94 1 67 TYR HA 1 68 HIS H 3.500 . 5.000 2.991 2.314 3.583 . 0 0 "[ . 1 . 2]" 1
95 1 24 GLY HA2 1 25 ALA H 3.500 . 5.000 3.015 2.656 3.141 . 0 0 "[ . 1 . 2]" 1
96 1 28 GLY HA2 1 29 GLU H 3.500 . 5.000 3.466 3.367 3.533 . 0 0 "[ . 1 . 2]" 1
97 1 30 GLY HA2 1 31 LEU H 2.600 . 3.400 2.479 2.326 2.659 . 0 0 "[ . 1 . 2]" 1
98 1 42 GLY HA2 1 43 LYS H 3.500 . 5.000 3.051 2.976 3.118 . 0 0 "[ . 1 . 2]" 1
99 1 24 GLY HA3 1 25 ALA H 3.500 . 5.000 3.480 3.428 3.583 . 0 0 "[ . 1 . 2]" 1
100 1 28 GLY HA3 1 29 GLU H 3.500 . 5.000 3.034 2.889 3.190 . 0 0 "[ . 1 . 2]" 1
101 1 30 GLY HA3 1 31 LEU H 2.600 . 3.400 2.760 2.591 2.965 . 0 0 "[ . 1 . 2]" 1
102 1 1 GLY QA 1 2 LYS H 3.400 . 6.000 2.363 2.160 2.858 . 0 0 "[ . 1 . 2]" 1
103 1 50 GLY QA 1 51 GLU H 2.800 . 3.800 2.343 2.156 2.782 . 0 0 "[ . 1 . 2]" 1
104 1 42 GLY HA3 1 43 LYS H 3.500 . 5.000 3.471 3.436 3.503 . 0 0 "[ . 1 . 2]" 1
105 1 5 ASP H 1 20 LYS H 4.200 2.400 6.000 4.299 4.017 4.711 . 0 0 "[ . 1 . 2]" 1
106 1 5 ASP H 1 21 LEU H 4.200 2.400 6.000 4.009 3.738 4.274 . 0 0 "[ . 1 . 2]" 1
107 1 6 CYS H 1 21 LEU H 4.200 2.400 6.000 5.151 4.451 5.899 . 0 0 "[ . 1 . 2]" 1
108 1 15 ASP H 1 22 ARG H 3.500 . 5.000 3.107 2.542 3.815 . 0 0 "[ . 1 . 2]" 1
109 1 15 ASP H 1 20 LYS H 4.200 2.400 6.000 3.326 2.471 3.968 . 0 0 "[ . 1 . 2]" 1
110 1 14 CYS H 1 22 ARG H 4.200 2.400 6.000 4.287 3.734 4.954 . 0 0 "[ . 1 . 2]" 1
111 1 26 GLN H 1 38 PHE H 4.200 2.400 6.000 4.021 3.832 4.204 . 0 0 "[ . 1 . 2]" 1
112 1 27 CYS H 1 36 CYS H 4.200 2.400 6.000 5.801 5.315 6.008 0.008 8 0 "[ . 1 . 2]" 1
113 1 27 CYS H 1 38 PHE H 4.200 2.400 6.000 4.634 3.935 5.110 . 0 0 "[ . 1 . 2]" 1
114 1 33 CYS H 1 39 SER H 4.200 2.400 6.000 4.759 4.360 5.422 . 0 0 "[ . 1 . 2]" 1
115 1 34 GLU H 1 39 SER H 4.200 2.400 6.000 3.454 3.033 3.992 . 0 0 "[ . 1 . 2]" 1
116 1 26 GLN H 1 37 LYS H 4.200 2.400 6.000 4.768 4.339 5.045 . 0 0 "[ . 1 . 2]" 1
117 1 42 GLY H 1 57 CYS H 4.200 2.400 6.000 4.392 4.072 4.633 . 0 0 "[ . 1 . 2]" 1
118 1 43 LYS H 1 56 ARG H 4.200 2.400 6.000 5.941 5.712 6.074 0.074 6 0 "[ . 1 . 2]" 1
119 1 43 LYS H 1 57 CYS H 3.500 . 5.000 2.782 2.365 3.063 . 0 0 "[ . 1 . 2]" 1
120 1 45 CYS H 1 56 ARG H 4.200 2.400 6.000 4.596 4.230 4.857 . 0 0 "[ . 1 . 2]" 1
121 1 46 ARG H 1 55 ASP H 4.200 2.400 6.000 3.295 2.376 3.844 0.024 4 0 "[ . 1 . 2]" 1
122 1 7 SER H 1 29 GLU HG2 4.200 2.400 6.000 3.908 2.376 5.972 0.024 16 0 "[ . 1 . 2]" 1
123 1 26 GLN HG2 1 38 PHE H 3.500 . 5.000 3.774 3.292 4.065 . 0 0 "[ . 1 . 2]" 1
124 1 26 GLN HG3 1 38 PHE H 3.500 . 5.000 4.663 2.553 5.038 0.038 11 0 "[ . 1 . 2]" 1
125 1 58 THR H 1 65 PRO QG 4.100 2.300 7.000 4.765 3.834 5.723 . 0 0 "[ . 1 . 2]" 1
126 1 13 CYS H 1 25 ALA MB 4.100 2.300 7.000 5.872 5.459 5.936 . 0 0 "[ . 1 . 2]" 1
127 1 21 LEU HG 1 27 CYS H 3.500 . 5.000 4.884 4.420 5.044 0.044 14 0 "[ . 1 . 2]" 1
128 1 21 LEU HG 1 28 GLY H 4.200 2.400 6.000 3.145 2.498 3.783 . 0 0 "[ . 1 . 2]" 1
129 1 21 LEU HG 1 29 GLU H 4.200 2.400 6.000 5.294 4.730 5.694 . 0 0 "[ . 1 . 2]" 1
130 1 21 LEU MD2 1 27 CYS H 3.400 . 6.000 2.293 2.018 2.620 . 0 0 "[ . 1 . 2]" 1
131 1 21 LEU MD2 1 29 GLU H 3.400 . 6.000 4.587 4.216 4.831 . 0 0 "[ . 1 . 2]" 1
132 1 44 ILE H 1 56 ARG HD2 4.200 2.400 6.000 4.629 3.453 5.862 . 0 0 "[ . 1 . 2]" 1
133 1 21 LEU MD1 1 27 CYS H 3.400 . 6.000 3.197 2.651 3.829 . 0 0 "[ . 1 . 2]" 1
134 1 21 LEU MD1 1 28 GLY H 3.400 . 6.000 2.758 2.170 3.208 . 0 0 "[ . 1 . 2]" 1
135 1 21 LEU MD1 1 29 GLU H 4.200 2.400 6.000 4.664 4.153 5.052 . 0 0 "[ . 1 . 2]" 1
136 1 58 THR H 1 65 PRO HD3 4.200 2.400 6.000 4.814 3.548 5.759 . 0 0 "[ . 1 . 2]" 1
137 1 31 LEU QD 1 46 ARG H 4.100 2.300 8.400 5.176 4.322 6.153 . 0 0 "[ . 1 . 2]" 1
138 1 44 ILE MD 1 54 ASP H 4.100 2.300 7.000 4.882 4.257 5.733 . 0 0 "[ . 1 . 2]" 1
139 1 27 CYS HB3 1 62 ALA H 4.200 2.400 6.000 5.212 4.054 6.019 0.019 16 0 "[ . 1 . 2]" 1
140 1 27 CYS HB2 1 62 ALA H 4.200 2.400 6.000 5.243 4.507 5.958 . 0 0 "[ . 1 . 2]" 1
141 1 31 LEU QD 1 64 CYS H 2.300 . 7.400 2.770 1.691 3.707 0.109 20 0 "[ . 1 . 2]" 1
142 1 5 ASP H 1 19 CYS HB2 4.200 2.400 6.000 5.511 5.130 5.997 . 0 0 "[ . 1 . 2]" 1
143 1 5 ASP H 1 20 LYS HB2 3.500 . 5.000 4.536 4.220 4.868 . 0 0 "[ . 1 . 2]" 1
144 1 6 CYS H 1 19 CYS HB2 4.200 2.400 6.000 5.747 5.354 6.015 0.015 17 0 "[ . 1 . 2]" 1
145 1 14 CYS HB2 1 22 ARG H 4.200 2.400 6.000 4.457 3.970 5.112 . 0 0 "[ . 1 . 2]" 1
146 1 25 ALA H 1 36 CYS HB2 4.200 2.400 6.000 5.733 4.622 6.068 0.068 17 0 "[ . 1 . 2]" 1
147 1 26 GLN H 1 36 CYS HB2 4.200 2.400 6.000 5.075 3.975 5.682 . 0 0 "[ . 1 . 2]" 1
148 1 26 GLN H 1 38 PHE HB2 4.200 2.400 6.000 6.034 5.993 6.067 0.067 9 0 "[ . 1 . 2]" 1
149 1 13 CYS HB2 1 28 GLY H 4.200 2.400 6.000 5.797 4.870 6.159 0.159 5 0 "[ . 1 . 2]" 1
150 1 31 LEU H 1 45 CYS HB2 4.200 2.400 6.000 5.647 5.399 6.335 0.335 5 0 "[ . 1 . 2]" 1
151 1 31 LEU H 1 63 ASP HB2 4.200 2.400 6.000 4.904 4.552 5.369 . 0 0 "[ . 1 . 2]" 1
152 1 31 LEU H 1 64 CYS HB2 3.500 . 5.000 4.854 4.538 5.018 0.018 18 0 "[ . 1 . 2]" 1
153 1 32 CYS H 1 64 CYS HB2 4.200 2.400 6.000 4.759 4.184 5.165 . 0 0 "[ . 1 . 2]" 1
154 1 26 GLN HB2 1 38 PHE H 3.500 . 5.000 2.462 1.989 2.753 0.011 20 0 "[ . 1 . 2]" 1
155 1 32 CYS HB2 1 39 SER H 4.200 2.400 6.000 4.195 3.475 5.012 . 0 0 "[ . 1 . 2]" 1
156 1 33 CYS HB2 1 39 SER H 4.200 2.400 6.000 5.083 4.338 5.824 . 0 0 "[ . 1 . 2]" 1
157 1 41 ALA H 1 57 CYS HB2 4.200 2.400 6.000 5.749 4.791 6.088 0.088 10 0 "[ . 1 . 2]" 1
158 1 42 GLY H 1 56 ARG HB2 3.500 . 5.000 4.210 3.200 5.034 0.034 9 0 "[ . 1 . 2]" 1
159 1 43 LYS H 1 57 CYS HB2 3.500 . 5.000 3.171 2.449 3.364 . 0 0 "[ . 1 . 2]" 1
160 1 45 CYS H 1 56 ARG QB 3.400 . 6.000 5.122 4.711 5.396 . 0 0 "[ . 1 . 2]" 1
161 1 38 PHE HB2 1 61 SER H 4.200 2.400 6.000 6.019 5.973 6.048 0.048 7 0 "[ . 1 . 2]" 1
162 1 31 LEU HB2 1 64 CYS H 4.200 2.400 6.000 3.001 2.430 5.166 . 0 0 "[ . 1 . 2]" 1
163 1 66 ARG HB2 1 67 TYR H 3.500 . 5.000 3.432 2.043 4.601 . 0 0 "[ . 1 . 2]" 1
164 1 5 ASP H 1 19 CYS HB3 3.500 . 5.000 4.085 3.621 4.811 . 0 0 "[ . 1 . 2]" 1
165 1 5 ASP H 1 20 LYS HB3 4.200 2.400 6.000 3.947 3.332 4.336 . 0 0 "[ . 1 . 2]" 1
166 1 6 CYS H 1 19 CYS HB3 4.200 2.400 6.000 4.770 4.172 5.458 . 0 0 "[ . 1 . 2]" 1
167 1 7 SER H 1 29 GLU HB3 4.200 2.400 6.000 3.973 2.457 5.130 . 0 0 "[ . 1 . 2]" 1
168 1 14 CYS HB3 1 22 ARG H 4.200 2.400 6.000 4.416 4.034 5.493 . 0 0 "[ . 1 . 2]" 1
169 1 25 ALA H 1 36 CYS HB3 4.200 2.400 6.000 4.792 4.524 5.197 . 0 0 "[ . 1 . 2]" 1
170 1 26 GLN H 1 36 CYS HB3 4.200 2.400 6.000 4.187 3.517 4.767 . 0 0 "[ . 1 . 2]" 1
171 1 27 CYS H 1 36 CYS HB3 3.500 . 5.000 3.675 3.066 4.618 . 0 0 "[ . 1 . 2]" 1
172 1 31 LEU H 1 45 CYS HB3 4.200 2.400 6.000 5.850 5.609 6.012 0.012 8 0 "[ . 1 . 2]" 1
173 1 31 LEU H 1 63 ASP HB3 4.200 2.400 6.000 3.914 3.470 4.655 . 0 0 "[ . 1 . 2]" 1
174 1 31 LEU H 1 64 CYS HB3 4.200 2.400 6.000 5.129 4.710 5.479 . 0 0 "[ . 1 . 2]" 1
175 1 32 CYS H 1 64 CYS HB3 4.200 2.400 6.000 5.758 5.215 6.011 0.011 12 0 "[ . 1 . 2]" 1
176 1 33 CYS H 1 62 ALA MB 3.400 . 6.000 4.610 3.766 4.920 . 0 0 "[ . 1 . 2]" 1
177 1 26 GLN HB3 1 37 LYS H 4.200 2.400 6.000 5.745 5.150 6.049 0.049 20 0 "[ . 1 . 2]" 1
178 1 43 LYS H 1 57 CYS HB3 3.500 . 5.000 4.665 4.120 4.954 . 0 0 "[ . 1 . 2]" 1
179 1 45 CYS H 1 56 ARG QG 3.400 . 6.000 4.687 4.185 5.231 . 0 0 "[ . 1 . 2]" 1
180 1 38 PHE HB3 1 61 SER H 4.200 2.400 6.000 4.356 4.309 4.391 . 0 0 "[ . 1 . 2]" 1
181 1 31 LEU HB3 1 64 CYS H 3.500 . 5.000 4.346 3.973 5.038 0.038 5 0 "[ . 1 . 2]" 1
182 1 5 ASP QB 1 20 LYS H 4.100 2.300 7.000 4.880 4.505 5.433 . 0 0 "[ . 1 . 2]" 1
183 1 14 CYS QB 1 20 LYS H 4.100 2.300 7.000 3.863 3.446 5.281 . 0 0 "[ . 1 . 2]" 1
184 1 15 ASP QB 1 20 LYS H 3.400 . 6.000 2.929 2.544 3.234 . 0 0 "[ . 1 . 2]" 1
185 1 5 ASP QB 1 21 LEU H 3.400 . 6.000 2.360 1.879 3.279 . 0 0 "[ . 1 . 2]" 1
186 1 21 LEU QB 1 28 GLY H 4.200 2.400 6.000 4.998 4.387 5.444 . 0 0 "[ . 1 . 2]" 1
187 1 28 GLY H 1 62 ALA MB 3.400 . 6.000 4.802 3.797 5.068 . 0 0 "[ . 1 . 2]" 1
188 1 29 GLU H 1 62 ALA MB 3.400 . 6.000 4.222 3.583 4.471 . 0 0 "[ . 1 . 2]" 1
189 1 46 ARG H 1 54 ASP QB 4.100 2.300 7.000 4.911 3.954 5.569 . 0 0 "[ . 1 . 2]" 1
190 1 46 ARG H 1 55 ASP QB 3.400 . 6.000 2.333 1.860 3.044 . 0 0 "[ . 1 . 2]" 1
191 1 46 ARG H 1 64 CYS QB 4.100 2.300 7.000 5.005 4.792 5.311 . 0 0 "[ . 1 . 2]" 1
192 1 41 ALA MB 1 59 GLY H 3.400 . 6.000 3.632 3.170 3.956 . 0 0 "[ . 1 . 2]" 1
193 1 41 ALA MB 1 60 GLN H 4.100 2.300 7.000 4.040 3.633 4.524 . 0 0 "[ . 1 . 2]" 1
194 1 13 CYS H 1 28 GLY HA2 4.200 2.400 6.000 4.812 4.401 5.025 . 0 0 "[ . 1 . 2]" 1
195 1 42 GLY QA 1 57 CYS H 4.100 2.300 7.000 4.718 4.408 5.094 . 0 0 "[ . 1 . 2]" 1
196 1 5 ASP H 1 19 CYS HA 4.200 2.400 6.000 4.763 4.293 5.234 . 0 0 "[ . 1 . 2]" 1
197 1 6 CYS H 1 19 CYS HA 4.200 2.400 6.000 4.596 4.171 5.150 . 0 0 "[ . 1 . 2]" 1
198 1 14 CYS H 1 21 LEU HA 4.200 2.400 6.000 4.500 4.359 4.647 . 0 0 "[ . 1 . 2]" 1
199 1 14 CYS HA 1 20 LYS H 4.200 2.400 6.000 4.928 4.417 5.666 . 0 0 "[ . 1 . 2]" 1
200 1 14 CYS HA 1 21 LEU H 4.200 2.400 6.000 4.222 3.855 4.565 . 0 0 "[ . 1 . 2]" 1
201 1 14 CYS HA 1 22 ARG H 2.600 . 3.400 2.094 1.847 2.667 . 0 0 "[ . 1 . 2]" 1
202 1 26 GLN H 1 37 LYS HA 3.500 . 5.000 2.324 1.963 2.542 0.037 10 0 "[ . 1 . 2]" 1
203 1 27 CYS H 1 37 LYS HA 3.500 . 5.000 3.037 2.402 3.615 . 0 0 "[ . 1 . 2]" 1
204 1 31 LEU H 1 64 CYS HA 4.200 2.400 6.000 5.775 4.995 5.976 . 0 0 "[ . 1 . 2]" 1
205 1 32 CYS H 1 63 ASP HA 3.500 . 5.000 3.053 2.681 3.514 . 0 0 "[ . 1 . 2]" 1
206 1 34 GLU H 1 39 SER HA 4.200 2.400 6.000 3.677 3.077 4.497 . 0 0 "[ . 1 . 2]" 1
207 1 25 ALA HA 1 37 LYS H 4.200 2.400 6.000 5.665 5.183 6.004 0.004 5 0 "[ . 1 . 2]" 1
208 1 26 GLN HA 1 38 PHE H 4.100 2.300 7.000 5.012 4.582 5.325 . 0 0 "[ . 1 . 2]" 1
209 1 33 CYS HA 1 38 PHE H 4.200 2.400 6.000 5.102 4.798 5.597 . 0 0 "[ . 1 . 2]" 1
210 1 33 CYS HA 1 39 SER H 3.500 . 5.000 2.669 2.010 3.339 . 0 0 "[ . 1 . 2]" 1
211 1 43 LYS H 1 57 CYS HA 3.500 . 5.000 4.677 4.343 4.868 . 0 0 "[ . 1 . 2]" 1
212 1 44 ILE H 1 56 ARG HA 4.200 2.400 6.000 4.111 3.674 4.442 . 0 0 "[ . 1 . 2]" 1
213 1 45 CYS H 1 56 ARG HA 3.500 . 5.000 3.247 2.748 3.544 . 0 0 "[ . 1 . 2]" 1
214 1 46 ARG H 1 54 ASP HA 4.200 2.400 6.000 5.159 4.024 5.879 . 0 0 "[ . 1 . 2]" 1
215 1 46 ARG H 1 55 ASP HA 4.200 2.400 6.000 4.905 4.595 5.277 . 0 0 "[ . 1 . 2]" 1
216 1 46 ARG H 1 56 ARG HA 4.200 2.400 6.000 4.986 4.499 5.335 . 0 0 "[ . 1 . 2]" 1
217 1 44 ILE HA 1 55 ASP H 4.200 2.400 6.000 4.358 3.675 4.954 . 0 0 "[ . 1 . 2]" 1
218 1 44 ILE HA 1 56 ARG H 4.200 2.400 6.000 4.707 4.239 4.978 . 0 0 "[ . 1 . 2]" 1
219 1 41 ALA HA 1 57 CYS H 4.200 2.400 6.000 4.797 4.550 4.998 . 0 0 "[ . 1 . 2]" 1
220 1 44 ILE HA 1 57 CYS H 3.500 . 5.000 3.875 3.654 4.150 . 0 0 "[ . 1 . 2]" 1
221 1 41 ALA HA 1 58 THR H 4.200 2.400 6.000 4.037 3.830 4.217 . 0 0 "[ . 1 . 2]" 1
222 1 58 THR H 1 64 CYS HA 4.200 2.400 6.000 5.353 4.259 6.009 0.009 5 0 "[ . 1 . 2]" 1
223 1 41 ALA HA 1 60 GLN H 4.200 2.400 6.000 4.578 4.436 4.766 . 0 0 "[ . 1 . 2]" 1
224 1 31 LEU HA 1 64 CYS H 4.200 2.400 6.000 5.666 5.177 6.068 0.068 20 0 "[ . 1 . 2]" 1
225 1 55 ASP HA 1 67 TYR H 4.200 2.400 6.000 5.463 4.616 6.000 0.000 18 0 "[ . 1 . 2]" 1
226 1 21 LEU MD2 1 28 GLY H 3.400 . 6.000 2.945 2.459 3.361 . 0 0 "[ . 1 . 2]" 1
227 1 3 GLU HA 1 20 LYS QD 3.400 . 6.000 3.153 2.239 3.887 . 0 0 "[ . 1 . 2]" 1
228 1 3 GLU HA 1 20 LYS QG 2.800 . 3.800 3.473 3.392 3.511 . 0 0 "[ . 1 . 2]" 1
229 1 4 CYS HA 1 19 CYS HA 3.500 . 5.000 4.254 4.024 4.588 . 0 0 "[ . 1 . 2]" 1
230 1 4 CYS HA 1 19 CYS HB3 2.800 . 3.800 2.324 1.868 3.135 . 0 0 "[ . 1 . 2]" 1
231 1 4 CYS HA 1 19 CYS HB2 3.500 . 5.000 3.935 3.611 4.458 . 0 0 "[ . 1 . 2]" 1
232 1 4 CYS HA 1 20 LYS HB3 4.100 2.300 7.000 4.940 4.541 5.616 . 0 0 "[ . 1 . 2]" 1
233 1 4 CYS HA 1 20 LYS HB2 3.500 . 5.000 4.923 4.660 5.098 0.098 20 0 "[ . 1 . 2]" 1
234 1 4 CYS HA 1 20 LYS QG 3.500 . 5.000 2.383 2.002 2.762 . 0 0 "[ . 1 . 2]" 1
235 1 4 CYS HB3 1 19 CYS HB2 4.200 2.400 6.000 5.010 4.639 5.402 . 0 0 "[ . 1 . 2]" 1
236 1 5 ASP HA 1 20 LYS HB3 4.200 2.400 6.000 5.728 5.203 6.048 0.048 5 0 "[ . 1 . 2]" 1
237 1 5 ASP HA 1 21 LEU MD1 4.200 2.400 6.000 4.217 3.789 4.681 . 0 0 "[ . 1 . 2]" 1
238 1 5 ASP QB 1 20 LYS HB3 2.800 . 3.800 3.085 2.725 3.301 . 0 0 "[ . 1 . 2]" 1
239 1 5 ASP QB 1 21 LEU HG 4.200 2.400 6.000 2.982 2.182 4.125 0.218 3 0 "[ . 1 . 2]" 1
240 1 5 ASP QB 1 21 LEU MD1 2.300 . 5.200 2.152 1.731 2.630 0.069 18 0 "[ . 1 . 2]" 1
241 1 6 CYS HA 1 28 GLY HA3 4.200 2.400 6.000 4.294 3.362 4.640 . 0 0 "[ . 1 . 2]" 1
242 1 6 CYS HA 1 28 GLY HA2 4.200 2.400 6.000 5.868 5.089 6.033 0.033 14 0 "[ . 1 . 2]" 1
243 1 6 CYS HA 1 14 CYS QB 4.100 2.300 7.000 4.257 4.009 4.471 . 0 0 "[ . 1 . 2]" 1
244 1 6 CYS HA 1 29 GLU HB3 3.500 . 5.000 4.281 3.216 4.952 . 0 0 "[ . 1 . 2]" 1
245 1 6 CYS HB2 1 21 LEU MD2 4.100 2.300 7.000 5.528 4.608 5.776 . 0 0 "[ . 1 . 2]" 1
246 1 9 PRO HA 1 16 ALA HA 3.500 . 5.000 3.424 2.705 4.249 . 0 0 "[ . 1 . 2]" 1
247 1 9 PRO HA 1 14 CYS QB 4.100 2.300 7.000 5.802 5.129 6.242 . 0 0 "[ . 1 . 2]" 1
248 1 9 PRO HA 1 16 ALA MB 3.400 . 6.000 2.844 2.010 3.569 . 0 0 "[ . 1 . 2]" 1
249 1 9 PRO HB3 1 16 ALA MB 3.400 . 6.000 3.352 2.349 4.424 . 0 0 "[ . 1 . 2]" 1
250 1 13 CYS HA 1 36 CYS HB3 4.200 2.400 6.000 4.905 3.008 5.472 . 0 0 "[ . 1 . 2]" 1
251 1 13 CYS HA 1 21 LEU HG 4.200 2.400 6.000 5.832 5.357 6.031 0.031 12 0 "[ . 1 . 2]" 1
252 1 13 CYS HA 1 21 LEU MD2 3.400 . 6.000 4.208 3.575 4.855 . 0 0 "[ . 1 . 2]" 1
253 1 13 CYS HB3 1 29 GLU HB3 4.200 2.400 6.000 5.938 5.399 6.067 0.067 5 0 "[ . 1 . 2]" 1
254 1 13 CYS HB3 1 29 GLU QG 4.100 2.300 7.000 6.167 5.367 6.317 . 0 0 "[ . 1 . 2]" 1
255 1 13 CYS HB3 1 21 LEU MD2 3.400 . 6.000 3.223 2.566 3.971 . 0 0 "[ . 1 . 2]" 1
256 1 13 CYS HB2 1 25 ALA MB 3.400 . 6.000 4.557 4.166 4.861 . 0 0 "[ . 1 . 2]" 1
257 1 14 CYS HA 1 22 ARG HA 3.500 . 5.000 4.467 4.085 5.051 0.051 20 0 "[ . 1 . 2]" 1
258 1 14 CYS HA 1 21 LEU HA 2.600 . 3.400 1.836 1.789 2.005 0.011 9 0 "[ . 1 . 2]" 1
259 1 6 CYS HB3 1 14 CYS HA 4.200 2.400 6.000 4.593 4.118 5.803 . 0 0 "[ . 1 . 2]" 1
260 1 14 CYS HA 1 22 ARG QB 3.400 . 6.000 3.226 2.927 3.751 . 0 0 "[ . 1 . 2]" 1
261 1 14 CYS HA 1 21 LEU HG 3.500 . 5.000 3.568 3.182 3.807 . 0 0 "[ . 1 . 2]" 1
262 1 14 CYS HA 1 21 LEU QB 3.400 . 6.000 3.969 3.771 4.115 . 0 0 "[ . 1 . 2]" 1
263 1 14 CYS HA 1 21 LEU MD1 4.200 2.400 6.000 4.896 4.500 5.102 . 0 0 "[ . 1 . 2]" 1
264 1 14 CYS HA 1 21 LEU MD2 3.400 . 6.000 3.965 3.330 4.663 . 0 0 "[ . 1 . 2]" 1
265 1 14 CYS QB 1 21 LEU HG 4.200 2.400 6.000 3.059 2.645 3.802 . 0 0 "[ . 1 . 2]" 1
266 1 14 CYS HB3 1 21 LEU MD2 4.200 2.400 6.000 4.070 3.392 5.472 . 0 0 "[ . 1 . 2]" 1
267 1 15 ASP HB2 1 20 LYS QB 3.400 . 6.000 4.682 4.291 4.991 . 0 0 "[ . 1 . 2]" 1
268 1 15 ASP HB2 1 20 LYS QG 4.100 2.300 7.000 6.228 5.994 6.334 . 0 0 "[ . 1 . 2]" 1
269 1 9 PRO HB3 1 16 ALA HA 3.500 . 5.000 4.495 3.163 5.007 0.007 13 0 "[ . 1 . 2]" 1
270 1 4 CYS HB3 1 19 CYS HA 4.200 2.400 6.000 5.842 5.592 5.916 . 0 0 "[ . 1 . 2]" 1
271 1 4 CYS HB3 1 19 CYS HB3 3.500 . 5.000 3.940 3.375 4.763 . 0 0 "[ . 1 . 2]" 1
272 1 4 CYS HB2 1 19 CYS HB2 4.200 2.400 6.000 4.084 2.946 5.840 . 0 0 "[ . 1 . 2]" 1
273 1 4 CYS HB3 1 20 LYS HA 4.200 2.400 6.000 5.759 5.280 6.020 0.020 15 0 "[ . 1 . 2]" 1
274 1 5 ASP QB 1 20 LYS HA 2.800 . 3.800 2.184 1.840 2.836 . 0 0 "[ . 1 . 2]" 1
275 1 15 ASP HB3 1 21 LEU HA 4.200 2.400 6.000 5.818 5.389 6.001 0.001 19 0 "[ . 1 . 2]" 1
276 1 15 ASP HB2 1 21 LEU HA 4.200 2.400 6.000 5.147 4.745 5.632 . 0 0 "[ . 1 . 2]" 1
277 1 14 CYS QB 1 21 LEU HA 3.500 . 5.000 2.720 2.377 3.244 . 0 0 "[ . 1 . 2]" 1
278 1 25 ALA HA 1 36 CYS HB3 3.500 . 5.000 3.544 2.781 4.510 . 0 0 "[ . 1 . 2]" 1
279 1 25 ALA HA 1 36 CYS HB2 3.500 . 5.000 4.237 3.463 4.867 . 0 0 "[ . 1 . 2]" 1
280 1 25 ALA HA 1 37 LYS QE 2.300 . 7.000 4.350 2.760 5.556 . 0 0 "[ . 1 . 2]" 1
281 1 21 LEU HG 1 26 GLN HA 4.200 2.400 6.000 5.955 5.763 6.050 0.050 12 0 "[ . 1 . 2]" 1
282 1 21 LEU HA 1 27 CYS HA 4.200 2.400 6.000 5.915 5.486 6.040 0.040 18 0 "[ . 1 . 2]" 1
283 1 27 CYS HA 1 33 CYS HB3 4.200 2.400 6.000 5.833 5.101 6.080 0.080 14 0 "[ . 1 . 2]" 1
284 1 27 CYS HA 1 62 ALA MB 3.400 . 6.000 4.003 3.121 4.520 . 0 0 "[ . 1 . 2]" 1
285 1 21 LEU QB 1 27 CYS HA 3.400 . 6.000 4.794 4.435 4.978 . 0 0 "[ . 1 . 2]" 1
286 1 21 LEU MD1 1 27 CYS HA 2.800 . 3.800 2.095 1.787 2.507 0.013 12 0 "[ . 1 . 2]" 1
287 1 21 LEU MD2 1 27 CYS HA 2.800 . 3.800 2.777 2.515 3.031 . 0 0 "[ . 1 . 2]" 1
288 1 27 CYS HB3 1 33 CYS HB2 3.500 . 5.000 4.357 3.233 5.036 0.036 8 0 "[ . 1 . 2]" 1
289 1 27 CYS HB3 1 62 ALA MB 2.800 . 3.800 2.517 1.827 2.981 . 0 0 "[ . 1 . 2]" 1
290 1 21 LEU MD1 1 27 CYS HB3 4.200 2.400 6.000 4.152 3.569 4.909 . 0 0 "[ . 1 . 2]" 1
291 1 21 LEU MD2 1 27 CYS HB3 4.200 2.400 6.000 4.414 4.047 4.670 . 0 0 "[ . 1 . 2]" 1
292 1 27 CYS HB2 1 62 ALA MB 2.800 . 3.800 2.346 1.824 2.825 . 0 0 "[ . 1 . 2]" 1
293 1 21 LEU MD1 1 27 CYS HB2 3.400 . 6.000 4.123 3.815 4.609 . 0 0 "[ . 1 . 2]" 1
294 1 21 LEU MD2 1 27 CYS HB2 3.400 . 6.000 4.482 4.216 4.680 . 0 0 "[ . 1 . 2]" 1
295 1 13 CYS HB2 1 28 GLY HA3 3.500 . 5.000 3.799 2.806 4.473 . 0 0 "[ . 1 . 2]" 1
296 1 21 LEU MD1 1 28 GLY HA3 4.200 2.400 6.000 4.168 3.607 4.558 . 0 0 "[ . 1 . 2]" 1
297 1 21 LEU MD2 1 28 GLY HA3 3.400 . 6.000 3.178 2.517 3.764 . 0 0 "[ . 1 . 2]" 1
298 1 13 CYS HB3 1 28 GLY HA2 3.500 . 5.000 2.000 1.877 2.270 0.123 5 0 "[ . 1 . 2]" 1
299 1 5 ASP QB 1 28 GLY HA2 4.100 2.300 7.000 5.864 5.383 6.263 . 0 0 "[ . 1 . 2]" 1
300 1 13 CYS HB2 1 28 GLY HA2 3.500 . 5.000 3.028 2.045 3.335 . 0 0 "[ . 1 . 2]" 1
301 1 21 LEU HG 1 28 GLY HA2 4.200 2.400 6.000 3.979 3.149 4.559 . 0 0 "[ . 1 . 2]" 1
302 1 21 LEU MD1 1 28 GLY HA2 4.200 2.400 6.000 4.453 4.082 4.783 . 0 0 "[ . 1 . 2]" 1
303 1 21 LEU MD2 1 28 GLY HA2 3.400 . 6.000 2.695 2.100 3.359 . 0 0 "[ . 1 . 2]" 1
304 1 30 GLY HA3 1 62 ALA MB 2.800 . 3.800 2.577 2.042 2.926 . 0 0 "[ . 1 . 2]" 1
305 1 30 GLY HA2 1 62 ALA MB 3.400 . 6.000 3.983 3.395 4.345 . 0 0 "[ . 1 . 2]" 1
306 1 31 LEU HA 1 64 CYS HB2 4.200 2.400 6.000 5.442 4.872 5.868 . 0 0 "[ . 1 . 2]" 1
307 1 32 CYS HA 1 62 ALA HA 3.500 . 5.000 4.960 4.698 5.074 0.074 5 0 "[ . 1 . 2]" 1
308 1 32 CYS HA 1 39 SER HB3 3.500 . 5.000 4.066 3.145 4.916 . 0 0 "[ . 1 . 2]" 1
309 1 32 CYS HA 1 39 SER HB2 3.500 . 5.000 3.760 2.594 4.782 . 0 0 "[ . 1 . 2]" 1
310 1 32 CYS HA 1 43 LYS QE 4.100 2.300 7.000 3.965 2.520 5.298 . 0 0 "[ . 1 . 2]" 1
311 1 32 CYS HA 1 57 CYS HB2 4.200 2.400 6.000 4.948 4.597 5.201 . 0 0 "[ . 1 . 2]" 1
312 1 32 CYS HB2 1 62 ALA MB 3.400 . 6.000 4.316 3.931 4.805 . 0 0 "[ . 1 . 2]" 1
313 1 32 CYS HB2 1 43 LYS HG3 4.200 2.400 6.000 5.081 4.421 6.015 0.015 5 0 "[ . 1 . 2]" 1
314 1 33 CYS HA 1 38 PHE HA 3.500 . 5.000 3.188 2.919 3.649 . 0 0 "[ . 1 . 2]" 1
315 1 33 CYS HA 1 62 ALA HA 4.200 2.400 6.000 3.818 3.470 4.368 . 0 0 "[ . 1 . 2]" 1
316 1 33 CYS HA 1 39 SER HA 4.200 2.400 6.000 4.478 3.700 5.144 . 0 0 "[ . 1 . 2]" 1
317 1 27 CYS HB3 1 33 CYS HA 4.200 2.400 6.000 4.645 3.389 5.755 . 0 0 "[ . 1 . 2]" 1
318 1 27 CYS HB2 1 33 CYS HA 4.200 2.400 6.000 4.982 3.858 5.767 . 0 0 "[ . 1 . 2]" 1
319 1 33 CYS HA 1 39 SER HB2 4.200 2.400 6.000 4.408 2.869 5.447 . 0 0 "[ . 1 . 2]" 1
320 1 13 CYS HB3 1 36 CYS HB3 3.500 . 5.000 4.175 1.951 5.104 0.104 5 0 "[ . 1 . 2]" 1
321 1 13 CYS HB2 1 36 CYS HB3 4.200 2.400 6.000 4.663 3.635 6.106 0.106 11 0 "[ . 1 . 2]" 1
322 1 25 ALA MB 1 36 CYS HB3 2.800 . 3.800 1.760 1.685 2.044 0.115 17 0 "[ . 1 . 2]" 1
323 1 21 LEU MD2 1 36 CYS HB3 4.200 2.400 6.000 3.318 2.782 4.036 . 0 0 "[ . 1 . 2]" 1
324 1 25 ALA MB 1 36 CYS HB2 2.800 . 3.800 2.625 1.715 3.092 0.085 10 0 "[ . 1 . 2]" 1
325 1 26 GLN HA 1 37 LYS HA 3.400 . 6.000 4.518 4.207 4.872 . 0 0 "[ . 1 . 2]" 1
326 1 26 GLN HB3 1 37 LYS HA 3.500 . 5.000 3.132 2.773 3.549 . 0 0 "[ . 1 . 2]" 1
327 1 26 GLN HB2 1 37 LYS HA 3.500 . 5.000 2.358 1.968 2.735 0.032 4 0 "[ . 1 . 2]" 1
328 1 26 GLN HB3 1 38 PHE HA 4.200 2.400 6.000 4.092 3.518 4.321 . 0 0 "[ . 1 . 2]" 1
329 1 26 GLN HB2 1 38 PHE HA 4.200 2.400 6.000 4.929 3.575 5.242 . 0 0 "[ . 1 . 2]" 1
330 1 38 PHE HB2 1 60 GLN QG 4.100 2.300 7.000 5.090 4.341 6.210 . 0 0 "[ . 1 . 2]" 1
331 1 34 GLU QG 1 39 SER HA 3.400 . 6.000 4.249 1.862 5.394 . 0 0 "[ . 1 . 2]" 1
332 1 34 GLU HB3 1 39 SER HA 4.200 2.400 6.000 4.719 3.367 6.007 0.007 20 0 "[ . 1 . 2]" 1
333 1 34 GLU HB2 1 39 SER HA 3.500 . 5.000 4.088 3.007 4.755 . 0 0 "[ . 1 . 2]" 1
334 1 39 SER HB2 1 57 CYS HB2 3.500 . 5.000 4.351 3.660 5.046 0.046 12 0 "[ . 1 . 2]" 1
335 1 32 CYS HB2 1 39 SER HB2 3.500 . 5.000 4.091 2.995 4.978 . 0 0 "[ . 1 . 2]" 1
336 1 40 ARG HA 1 59 GLY HA3 3.500 . 5.000 2.480 2.168 3.786 . 0 0 "[ . 1 . 2]" 1
337 1 41 ALA HA 1 57 CYS HB2 3.500 . 5.000 3.706 2.894 4.030 . 0 0 "[ . 1 . 2]" 1
338 1 42 GLY HA3 1 56 ARG HD3 3.500 . 5.000 4.560 3.516 5.082 0.082 3 0 "[ . 1 . 2]" 1
339 1 42 GLY HA3 1 56 ARG HD2 3.500 . 5.000 3.496 3.057 4.701 . 0 0 "[ . 1 . 2]" 1
340 1 42 GLY HA2 1 56 ARG HB3 3.500 . 5.000 2.717 1.932 4.062 0.068 8 0 "[ . 1 . 2]" 1
341 1 42 GLY HA2 1 56 ARG HB2 3.500 . 5.000 3.542 2.547 4.279 . 0 0 "[ . 1 . 2]" 1
342 1 43 LYS HA 1 57 CYS HB2 4.200 2.400 6.000 4.753 4.492 4.850 . 0 0 "[ . 1 . 2]" 1
343 1 44 ILE HA 1 56 ARG HD3 3.500 . 5.000 3.239 2.239 4.088 . 0 0 "[ . 1 . 2]" 1
344 1 44 ILE HA 1 54 ASP HB3 4.200 2.400 6.000 4.494 4.159 4.967 . 0 0 "[ . 1 . 2]" 1
345 1 44 ILE HA 1 54 ASP HB2 4.200 2.400 6.000 5.375 4.789 6.021 0.021 6 0 "[ . 1 . 2]" 1
346 1 31 LEU HA 1 45 CYS HA 4.200 2.400 6.000 5.343 4.444 5.981 . 0 0 "[ . 1 . 2]" 1
347 1 45 CYS HA 1 64 CYS HB3 3.500 . 5.000 5.003 4.472 5.144 0.144 3 0 "[ . 1 . 2]" 1
348 1 45 CYS HA 1 64 CYS HB2 3.500 . 5.000 4.200 4.088 4.827 . 0 0 "[ . 1 . 2]" 1
349 1 31 LEU HG 1 45 CYS HA 4.200 2.400 6.000 5.377 3.970 6.051 0.051 12 0 "[ . 1 . 2]" 1
350 1 31 LEU HB3 1 45 CYS HA 3.500 . 5.000 3.524 3.149 5.089 0.089 5 0 "[ . 1 . 2]" 1
351 1 31 LEU HB2 1 45 CYS HA 3.500 . 5.000 4.808 3.429 5.038 0.038 10 0 "[ . 1 . 2]" 1
352 1 31 LEU QD 1 45 CYS HA 2.300 . 7.400 3.579 2.859 4.578 . 0 0 "[ . 1 . 2]" 1
353 1 45 CYS HB3 1 64 CYS HB2 3.500 . 5.000 2.299 2.180 2.640 . 0 0 "[ . 1 . 2]" 1
354 1 31 LEU QD 1 45 CYS HB3 2.300 . 7.400 3.802 2.611 4.879 . 0 0 "[ . 1 . 2]" 1
355 1 46 ARG HD3 1 55 ASP HB3 4.200 2.400 6.000 5.290 4.244 6.012 0.012 17 0 "[ . 1 . 2]" 1
356 1 31 LEU QD 1 46 ARG HD3 4.100 2.300 8.400 4.926 3.611 6.024 . 0 0 "[ . 1 . 2]" 1
357 1 46 ARG HD2 1 55 ASP HB3 3.500 . 5.000 4.608 3.654 5.027 0.027 6 0 "[ . 1 . 2]" 1
358 1 31 LEU QD 1 46 ARG HD2 4.100 2.300 8.400 4.358 2.423 6.100 . 0 0 "[ . 1 . 2]" 1
359 1 48 PRO HD3 1 54 ASP HA 3.500 . 5.000 2.946 1.940 4.907 0.060 17 0 "[ . 1 . 2]" 1
360 1 48 PRO HD2 1 54 ASP HA 3.500 . 5.000 3.648 2.128 5.146 0.146 15 0 "[ . 1 . 2]" 1
361 1 48 PRO QB 1 54 ASP HA 4.100 2.300 7.000 4.356 3.135 6.146 . 0 0 "[ . 1 . 2]" 1
362 1 48 PRO QG 1 54 ASP HA 3.400 . 6.000 3.501 2.245 5.009 . 0 0 "[ . 1 . 2]" 1
363 1 47 ILE HB 1 54 ASP HA 4.200 2.400 6.000 5.648 4.588 6.034 0.034 12 0 "[ . 1 . 2]" 1
364 1 47 ILE HG13 1 54 ASP HA 4.200 2.400 6.000 4.934 4.117 6.003 0.003 13 0 "[ . 1 . 2]" 1
365 1 47 ILE HG12 1 54 ASP HA 4.200 2.400 6.000 5.430 4.253 6.106 0.106 4 0 "[ . 1 . 2]" 1
366 1 44 ILE MD 1 54 ASP HA 3.400 . 6.000 3.207 2.714 3.893 . 0 0 "[ . 1 . 2]" 1
367 1 47 ILE MD 1 54 ASP HA 4.100 2.300 7.000 5.290 2.969 5.926 . 0 0 "[ . 1 . 2]" 1
368 1 44 ILE MD 1 54 ASP HB3 2.800 . 3.800 2.078 1.784 3.071 0.016 13 0 "[ . 1 . 2]" 1
369 1 44 ILE MD 1 55 ASP HA 4.100 2.300 7.000 4.243 3.885 4.597 . 0 0 "[ . 1 . 2]" 1
370 1 46 ARG QB 1 55 ASP HA 3.400 . 6.000 4.628 3.971 5.259 . 0 0 "[ . 1 . 2]" 1
371 1 46 ARG QB 1 55 ASP HB3 3.400 . 6.000 2.921 2.226 3.607 . 0 0 "[ . 1 . 2]" 1
372 1 44 ILE MD 1 55 ASP HB3 4.100 2.300 7.000 3.981 2.712 5.210 . 0 0 "[ . 1 . 2]" 1
373 1 42 GLY HA3 1 56 ARG HA 4.200 2.400 6.000 5.743 5.311 6.053 0.053 10 0 "[ . 1 . 2]" 1
374 1 42 GLY HA2 1 56 ARG HA 4.200 2.400 6.000 4.339 3.898 4.659 . 0 0 "[ . 1 . 2]" 1
375 1 44 ILE HA 1 56 ARG HA 2.600 . 3.400 2.541 2.231 2.767 . 0 0 "[ . 1 . 2]" 1
376 1 41 ALA HA 1 56 ARG HA 4.200 2.400 6.000 6.106 6.075 6.130 0.130 3 0 "[ . 1 . 2]" 1
377 1 44 ILE MG 1 56 ARG HA 3.400 . 6.000 4.940 4.627 5.028 . 0 0 "[ . 1 . 2]" 1
378 1 44 ILE MD 1 56 ARG HA 3.400 . 6.000 3.796 3.296 4.252 . 0 0 "[ . 1 . 2]" 1
379 1 44 ILE MD 1 56 ARG HD3 3.400 . 6.000 3.680 2.251 4.870 . 0 0 "[ . 1 . 2]" 1
380 1 57 CYS HA 1 64 CYS HA 3.500 . 5.000 4.018 2.945 4.650 . 0 0 "[ . 1 . 2]" 1
381 1 57 CYS HA 1 65 PRO HD3 3.500 . 5.000 4.147 3.217 4.990 . 0 0 "[ . 1 . 2]" 1
382 1 57 CYS HA 1 65 PRO HD2 3.500 . 5.000 3.585 2.702 4.454 . 0 0 "[ . 1 . 2]" 1
383 1 45 CYS HB3 1 57 CYS HA 4.200 2.400 6.000 4.744 4.104 6.045 0.045 5 0 "[ . 1 . 2]" 1
384 1 45 CYS HB2 1 57 CYS HA 4.200 2.400 6.000 5.717 4.601 6.017 0.017 1 0 "[ . 1 . 2]" 1
385 1 57 CYS HA 1 65 PRO HG3 4.200 2.400 6.000 5.172 4.569 6.043 0.043 5 0 "[ . 1 . 2]" 1
386 1 57 CYS HA 1 65 PRO HG2 4.200 2.400 6.000 4.919 4.217 5.857 . 0 0 "[ . 1 . 2]" 1
387 1 43 LYS HG3 1 57 CYS HA 4.200 2.400 6.000 5.717 5.258 5.907 . 0 0 "[ . 1 . 2]" 1
388 1 41 ALA MB 1 57 CYS HA 4.100 2.300 7.000 5.573 5.317 5.738 . 0 0 "[ . 1 . 2]" 1
389 1 43 LYS HG3 1 57 CYS HB3 3.500 . 5.000 4.906 4.668 5.035 0.035 7 0 "[ . 1 . 2]" 1
390 1 41 ALA MB 1 57 CYS HB3 4.100 2.300 7.000 5.515 5.053 5.804 . 0 0 "[ . 1 . 2]" 1
391 1 43 LYS QB 1 57 CYS HB2 3.400 . 6.000 1.848 1.768 1.920 0.032 5 0 "[ . 1 . 2]" 1
392 1 43 LYS HG3 1 57 CYS HB2 3.500 . 5.000 3.604 3.222 4.067 . 0 0 "[ . 1 . 2]" 1
393 1 43 LYS HG2 1 57 CYS HB2 3.500 . 5.000 3.633 3.318 3.958 . 0 0 "[ . 1 . 2]" 1
394 1 41 ALA MB 1 57 CYS HB2 4.100 2.300 7.000 5.135 4.502 5.421 . 0 0 "[ . 1 . 2]" 1
395 1 41 ALA MB 1 58 THR HB 3.400 . 6.000 3.529 3.279 4.190 . 0 0 "[ . 1 . 2]" 1
396 1 41 ALA HA 1 59 GLY HA3 3.500 . 5.000 3.086 2.857 3.291 . 0 0 "[ . 1 . 2]" 1
397 1 41 ALA MB 1 59 GLY HA3 2.800 . 3.800 2.925 1.948 3.116 . 0 0 "[ . 1 . 2]" 1
398 1 32 CYS HB3 1 62 ALA HA 3.500 . 5.000 4.083 3.216 4.742 . 0 0 "[ . 1 . 2]" 1
399 1 32 CYS HB2 1 62 ALA HA 3.500 . 5.000 2.901 2.375 3.345 . 0 0 "[ . 1 . 2]" 1
400 1 31 LEU HG 1 63 ASP HA 3.500 . 5.000 4.489 2.739 5.002 0.002 14 0 "[ . 1 . 2]" 1
401 1 31 LEU HB3 1 63 ASP HB3 4.200 2.400 6.000 5.969 5.795 6.204 0.204 5 0 "[ . 1 . 2]" 1
402 1 31 LEU QD 1 63 ASP HB3 4.100 2.300 8.400 3.621 2.571 4.633 . 0 0 "[ . 1 . 2]" 1
403 1 45 CYS HB3 1 64 CYS HA 4.200 2.400 6.000 4.274 4.069 4.592 . 0 0 "[ . 1 . 2]" 1
404 1 45 CYS HB2 1 64 CYS HA 4.200 2.400 6.000 4.220 4.104 4.346 . 0 0 "[ . 1 . 2]" 1
405 1 31 LEU HB2 1 64 CYS HA 4.200 2.400 6.000 4.506 3.996 6.086 0.086 20 0 "[ . 1 . 2]" 1
406 1 58 THR MG 1 64 CYS HA 4.100 2.300 7.000 5.496 4.760 5.685 . 0 0 "[ . 1 . 2]" 1
407 1 31 LEU QD 1 64 CYS HA 2.300 . 7.400 4.533 2.584 5.515 . 0 0 "[ . 1 . 2]" 1
408 1 31 LEU HG 1 64 CYS HB2 3.500 . 5.000 4.272 2.065 5.041 0.041 3 0 "[ . 1 . 2]" 1
409 1 31 LEU HB3 1 64 CYS HB2 3.500 . 5.000 3.113 2.301 4.609 . 0 0 "[ . 1 . 2]" 1
410 1 31 LEU HB2 1 64 CYS HB2 3.500 . 5.000 2.905 2.445 3.921 . 0 0 "[ . 1 . 2]" 1
411 1 31 LEU QD 1 64 CYS HB2 3.400 . 6.000 3.211 1.808 4.302 . 0 0 "[ . 1 . 2]" 1
412 1 58 THR MG 1 65 PRO HD3 3.400 . 6.000 4.504 3.643 4.842 . 0 0 "[ . 1 . 2]" 1
413 1 45 CYS HB2 1 65 PRO HD2 4.200 2.400 6.000 5.326 4.539 5.812 . 0 0 "[ . 1 . 2]" 1
414 1 45 CYS HB3 1 65 PRO HD3 4.200 2.400 6.000 5.941 5.709 6.058 0.058 16 0 "[ . 1 . 2]" 1
415 1 45 CYS HB2 1 65 PRO HD3 4.200 2.400 6.000 5.997 5.736 6.114 0.114 3 0 "[ . 1 . 2]" 1
416 1 26 GLN HE21 1 38 PHE QE 4.100 2.300 7.400 4.945 3.958 6.355 . 0 0 "[ . 1 . 2]" 1
417 1 26 GLN HA 1 38 PHE QD 4.100 2.300 8.400 4.733 4.249 5.222 . 0 0 "[ . 1 . 2]" 1
418 1 26 GLN HG3 1 38 PHE QD 4.100 2.300 8.400 3.779 3.118 4.918 . 0 0 "[ . 1 . 2]" 1
419 1 26 GLN HG2 1 38 PHE QD 2.300 . 7.400 2.416 1.853 4.599 . 0 0 "[ . 1 . 2]" 1
420 1 26 GLN HB3 1 38 PHE QD 2.300 . 7.400 2.654 2.182 3.112 . 0 0 "[ . 1 . 2]" 1
421 1 26 GLN HB2 1 38 PHE QD 2.300 . 7.400 3.728 3.230 3.981 . 0 0 "[ . 1 . 2]" 1
422 1 26 GLN H 1 38 PHE QE 4.100 2.300 8.400 5.692 5.317 5.949 . 0 0 "[ . 1 . 2]" 1
423 1 26 GLN HG2 1 38 PHE QE 2.300 . 7.400 2.905 2.089 5.221 . 0 0 "[ . 1 . 2]" 1
424 1 26 GLN HB3 1 38 PHE QE 2.300 . 7.400 3.156 2.746 3.484 . 0 0 "[ . 1 . 2]" 1
425 1 26 GLN HB2 1 38 PHE QE 2.300 . 7.400 4.524 4.255 4.803 . 0 0 "[ . 1 . 2]" 1
426 1 27 CYS H 1 38 PHE QD 4.100 2.300 8.400 5.084 3.832 5.661 . 0 0 "[ . 1 . 2]" 1
427 1 27 CYS HA 1 38 PHE QD 4.100 2.300 8.400 5.171 4.581 5.692 . 0 0 "[ . 1 . 2]" 1
428 1 27 CYS HB3 1 38 PHE QD 2.300 . 7.400 3.134 2.429 3.644 . 0 0 "[ . 1 . 2]" 1
429 1 27 CYS HB2 1 38 PHE QD 2.300 . 7.400 3.845 2.753 4.691 . 0 0 "[ . 1 . 2]" 1
430 1 27 CYS H 1 38 PHE QE 4.100 2.300 8.400 4.950 4.111 5.455 . 0 0 "[ . 1 . 2]" 1
431 1 27 CYS HB3 1 38 PHE QE 3.400 . 6.000 2.703 1.856 3.542 . 0 0 "[ . 1 . 2]" 1
432 1 33 CYS HA 1 38 PHE QD 2.300 . 7.400 4.205 3.831 4.571 . 0 0 "[ . 1 . 2]" 1
433 1 33 CYS HB2 1 38 PHE QD 4.100 2.300 8.400 5.134 4.096 6.006 . 0 0 "[ . 1 . 2]" 1
434 1 33 CYS HB2 1 38 PHE QE 4.100 2.300 8.400 5.795 4.537 6.632 . 0 0 "[ . 1 . 2]" 1
435 1 38 PHE QD 1 60 GLN H 4.100 2.300 8.400 5.659 4.717 6.247 . 0 0 "[ . 1 . 2]" 1
436 1 38 PHE QD 1 60 GLN HA 3.400 . 6.000 3.339 2.148 4.229 . 0 0 "[ . 1 . 2]" 1
437 1 38 PHE QE 1 60 GLN H 4.100 2.300 8.400 6.951 6.095 7.647 . 0 0 "[ . 1 . 2]" 1
438 1 38 PHE QD 1 61 SER H 4.100 2.300 8.400 4.817 3.958 5.297 . 0 0 "[ . 1 . 2]" 1
439 1 38 PHE QD 1 61 SER HB2 4.100 2.300 8.400 6.161 5.344 6.950 . 0 0 "[ . 1 . 2]" 1
440 1 38 PHE QE 1 61 SER HA 4.100 2.300 8.400 4.255 3.218 5.212 . 0 0 "[ . 1 . 2]" 1
441 1 38 PHE QE 1 61 SER HB2 4.100 2.300 8.400 6.510 5.575 7.311 . 0 0 "[ . 1 . 2]" 1
442 1 38 PHE QD 1 62 ALA H 2.300 . 7.400 3.552 2.976 4.348 . 0 0 "[ . 1 . 2]" 1
443 1 38 PHE QD 1 62 ALA HA 2.300 . 7.400 2.921 2.316 4.449 . 0 0 "[ . 1 . 2]" 1
444 1 38 PHE QE 1 62 ALA H 2.300 . 7.400 3.048 2.006 3.949 . 0 0 "[ . 1 . 2]" 1
445 1 38 PHE QE 1 62 ALA HA 2.300 . 7.400 3.910 3.056 5.077 . 0 0 "[ . 1 . 2]" 1
446 1 53 PRO HD2 1 67 TYR QD 4.100 2.300 8.400 5.402 3.435 7.422 . 0 0 "[ . 1 . 2]" 1
447 1 53 PRO HB2 1 67 TYR QD 4.100 2.300 8.400 4.575 2.153 5.906 0.147 4 0 "[ . 1 . 2]" 1
448 1 53 PRO HB2 1 67 TYR QE 4.100 2.300 8.400 5.146 2.901 6.962 . 0 0 "[ . 1 . 2]" 1
449 1 56 ARG H 1 67 TYR QD 4.100 2.300 8.400 5.235 2.719 7.163 . 0 0 "[ . 1 . 2]" 1
450 1 6 CYS HB2 1 11 ASN HD22 4.200 2.400 6.000 4.461 2.362 5.999 0.038 8 0 "[ . 1 . 2]" 1
451 1 6 CYS HB2 1 11 ASN HD21 3.500 . 5.000 3.494 2.004 4.962 . 0 0 "[ . 1 . 2]" 1
452 1 6 CYS HA 1 11 ASN HD21 4.200 2.400 6.000 5.005 4.077 6.041 0.041 9 0 "[ . 1 . 2]" 1
453 1 11 ASN HD22 1 28 GLY HA3 3.500 . 5.000 3.428 1.984 4.763 0.016 16 0 "[ . 1 . 2]" 1
454 1 11 ASN HD22 1 28 GLY HA2 4.200 2.400 6.000 3.746 2.618 4.834 . 0 0 "[ . 1 . 2]" 1
455 1 11 ASN HD21 1 28 GLY HA2 4.200 2.400 6.000 4.518 3.420 5.817 . 0 0 "[ . 1 . 2]" 1
456 1 11 ASN HD22 1 29 GLU HB3 4.200 2.400 6.000 3.647 2.472 4.747 . 0 0 "[ . 1 . 2]" 1
457 1 11 ASN HD22 1 29 GLU HB2 4.200 2.400 6.000 3.794 2.432 5.798 . 0 0 "[ . 1 . 2]" 1
458 1 11 ASN HD22 1 29 GLU HG3 4.200 2.400 6.000 4.933 3.178 5.880 . 0 0 "[ . 1 . 2]" 1
459 1 11 ASN HD22 1 29 GLU HG2 4.200 2.400 6.000 4.854 3.860 6.015 0.015 18 0 "[ . 1 . 2]" 1
460 1 11 ASN HD21 1 29 GLU HG3 4.200 2.400 6.000 4.692 3.115 5.609 . 0 0 "[ . 1 . 2]" 1
461 1 11 ASN HD21 1 29 GLU HB2 4.200 2.400 6.000 3.602 2.360 5.235 0.040 9 0 "[ . 1 . 2]" 1
462 1 11 ASN HD21 1 29 GLU HB3 4.200 2.400 6.000 3.280 2.448 4.342 . 0 0 "[ . 1 . 2]" 1
463 1 11 ASN HD21 1 29 GLU HG2 4.200 2.400 6.000 4.379 2.897 5.956 . 0 0 "[ . 1 . 2]" 1
464 1 26 GLN HE22 1 38 PHE H 4.100 2.300 7.000 5.267 4.443 6.645 . 0 0 "[ . 1 . 2]" 1
465 1 4 CYS H 1 6 CYS H 4.200 2.400 6.000 5.446 4.935 5.921 . 0 0 "[ . 1 . 2]" 1
466 1 8 SER H 1 11 ASN H 4.200 2.400 6.000 5.010 4.480 5.842 . 0 0 "[ . 1 . 2]" 1
467 1 11 ASN H 1 13 CYS H 4.200 2.400 6.000 5.417 4.461 6.007 0.007 18 0 "[ . 1 . 2]" 1
468 1 16 ALA H 1 18 THR H 4.200 2.400 6.000 4.361 3.894 4.724 . 0 0 "[ . 1 . 2]" 1
469 1 18 THR H 1 20 LYS H 4.200 2.400 6.000 3.546 3.291 3.873 . 0 0 "[ . 1 . 2]" 1
470 1 15 ASP H 1 19 CYS H 4.200 2.400 6.000 4.776 4.160 5.345 . 0 0 "[ . 1 . 2]" 1
471 1 16 ALA H 1 19 CYS H 4.200 2.400 6.000 4.340 4.034 4.552 . 0 0 "[ . 1 . 2]" 1
472 1 22 ARG H 1 25 ALA H 4.200 2.400 6.000 5.238 4.968 5.462 . 0 0 "[ . 1 . 2]" 1
473 1 31 LEU H 1 33 CYS H 4.200 2.400 6.000 4.729 3.616 5.245 . 0 0 "[ . 1 . 2]" 1
474 1 34 GLU H 1 36 CYS H 4.200 2.400 6.000 4.390 4.002 4.626 . 0 0 "[ . 1 . 2]" 1
475 1 34 GLU H 1 37 LYS H 3.500 . 5.000 3.127 2.513 3.588 . 0 0 "[ . 1 . 2]" 1
476 1 34 GLU H 1 38 PHE H 4.200 2.400 6.000 5.257 4.918 5.557 . 0 0 "[ . 1 . 2]" 1
477 1 35 GLN H 1 37 LYS H 4.200 2.400 6.000 4.158 3.795 4.409 . 0 0 "[ . 1 . 2]" 1
478 1 40 ARG H 1 43 LYS H 4.200 2.400 6.000 5.667 5.176 6.018 0.018 15 0 "[ . 1 . 2]" 1
479 1 41 ALA H 1 43 LYS H 4.200 2.400 6.000 5.276 5.071 5.444 . 0 0 "[ . 1 . 2]" 1
480 1 44 ILE H 1 46 ARG H 4.200 2.400 6.000 5.957 5.814 6.042 0.042 19 0 "[ . 1 . 2]" 1
481 1 49 ARG H 1 52 MET H 4.200 2.400 6.000 5.277 2.429 6.119 0.119 11 0 "[ . 1 . 2]" 1
482 1 50 GLY H 1 52 MET H 4.200 2.400 6.000 3.962 2.573 6.027 0.027 5 0 "[ . 1 . 2]" 1
483 1 58 THR H 1 60 GLN H 4.200 2.400 6.000 4.339 3.540 4.746 . 0 0 "[ . 1 . 2]" 1
484 1 58 THR H 1 61 SER H 4.200 2.400 6.000 3.475 3.070 3.663 . 0 0 "[ . 1 . 2]" 1
485 1 59 GLY H 1 61 SER H 3.500 . 5.000 3.085 2.963 3.282 . 0 0 "[ . 1 . 2]" 1
486 1 44 ILE MG 1 45 CYS H 4.100 2.300 7.000 3.698 2.838 4.173 . 0 0 "[ . 1 . 2]" 1
487 1 47 ILE MG 1 49 ARG H 3.400 . 6.000 4.429 3.596 4.897 . 0 0 "[ . 1 . 2]" 1
488 1 26 GLN HG2 1 27 CYS H 4.200 2.400 6.000 5.388 4.406 5.663 . 0 0 "[ . 1 . 2]" 1
489 1 37 LYS HG2 1 38 PHE H 4.200 2.400 6.000 3.197 2.444 4.378 . 0 0 "[ . 1 . 2]" 1
490 1 43 LYS HG2 1 44 ILE H 3.500 . 5.000 4.692 4.500 4.913 . 0 0 "[ . 1 . 2]" 1
491 1 12 PRO QG 1 13 CYS H 3.400 . 6.000 3.105 2.516 3.953 . 0 0 "[ . 1 . 2]" 1
492 1 26 GLN HG3 1 27 CYS H 3.500 . 5.000 4.949 4.434 5.037 0.037 12 0 "[ . 1 . 2]" 1
493 1 37 LYS HG3 1 38 PHE H 4.200 2.400 6.000 4.160 2.966 5.082 . 0 0 "[ . 1 . 2]" 1
494 1 43 LYS HG3 1 44 ILE H 3.500 . 5.000 3.445 3.110 3.735 . 0 0 "[ . 1 . 2]" 1
495 1 2 LYS QG 1 4 CYS H 4.100 2.300 7.000 4.460 2.420 5.646 . 0 0 "[ . 1 . 2]" 1
496 1 15 ASP H 1 18 THR MG 4.100 2.300 7.000 4.296 3.365 5.718 . 0 0 "[ . 1 . 2]" 1
497 1 17 ALA H 1 18 THR MG 3.400 . 6.000 4.074 3.756 4.469 . 0 0 "[ . 1 . 2]" 1
498 1 18 THR MG 1 19 CYS H 3.400 . 6.000 3.141 2.206 4.116 . 0 0 "[ . 1 . 2]" 1
499 1 20 LYS QG 1 21 LEU H 3.400 . 6.000 3.895 3.064 4.250 . 0 0 "[ . 1 . 2]" 1
500 1 23 PRO QG 1 24 GLY H 4.100 2.300 7.000 3.721 3.602 3.958 . 0 0 "[ . 1 . 2]" 1
501 1 29 GLU QG 1 30 GLY H 4.100 2.300 7.000 2.894 1.828 4.000 0.472 17 0 "[ . 1 . 2]" 1
502 1 35 GLN QG 1 36 CYS H 4.100 2.300 7.000 4.414 3.559 4.825 . 0 0 "[ . 1 . 2]" 1
503 1 34 GLU QG 1 37 LYS H 3.400 . 6.000 4.972 3.266 5.423 . 0 0 "[ . 1 . 2]" 1
504 1 46 ARG QG 1 47 ILE H 3.400 . 6.000 3.279 2.211 4.636 . 0 0 "[ . 1 . 2]" 1
505 1 49 ARG QG 1 50 GLY H 3.400 . 6.000 4.038 2.760 4.785 . 0 0 "[ . 1 . 2]" 1
506 1 51 GLU H 1 52 MET QG 4.100 2.300 7.000 4.652 2.253 6.269 0.047 17 0 "[ . 1 . 2]" 1
507 1 58 THR MG 1 59 GLY H 4.100 2.300 7.000 3.947 2.648 4.199 . 0 0 "[ . 1 . 2]" 1
508 1 58 THR MG 1 60 GLN H 4.100 2.300 7.000 4.383 2.066 4.753 0.234 19 0 "[ . 1 . 2]" 1
509 1 58 THR MG 1 61 SER H 4.100 2.300 7.000 4.077 1.816 4.646 0.484 19 0 "[ . 1 . 2]" 1
510 1 65 PRO QG 1 66 ARG H 4.100 2.300 7.000 3.529 1.958 4.936 0.342 18 0 "[ . 1 . 2]" 1
511 1 66 ARG QG 1 67 TYR H 3.400 . 6.000 3.682 1.980 4.595 . 0 0 "[ . 1 . 2]" 1
512 1 66 ARG QG 1 68 HIS H 4.100 2.300 7.000 4.148 1.874 5.947 0.426 9 0 "[ . 1 . 2]" 1
513 1 31 LEU HG 1 32 CYS H 4.200 2.400 6.000 4.917 3.335 5.523 . 0 0 "[ . 1 . 2]" 1
514 1 21 LEU MD2 1 22 ARG H 3.400 . 6.000 3.746 3.349 4.353 . 0 0 "[ . 1 . 2]" 1
515 1 52 MET H 1 53 PRO HD2 4.200 2.400 6.000 4.756 3.424 4.971 . 0 0 "[ . 1 . 2]" 1
516 1 56 ARG HD2 1 57 CYS H 4.200 2.400 6.000 5.295 3.496 5.951 . 0 0 "[ . 1 . 2]" 1
517 1 21 LEU MD1 1 22 ARG H 3.400 . 6.000 5.073 4.944 5.148 . 0 0 "[ . 1 . 2]" 1
518 1 12 PRO HD3 1 13 CYS H 3.500 . 5.000 3.753 3.644 4.144 . 0 0 "[ . 1 . 2]" 1
519 1 12 PRO HD2 1 13 CYS H 3.500 . 5.000 2.478 2.271 3.157 . 0 0 "[ . 1 . 2]" 1
520 1 52 MET H 1 53 PRO HD3 4.200 2.400 6.000 4.485 2.302 4.857 0.098 5 0 "[ . 1 . 2]" 1
521 1 56 ARG HD3 1 57 CYS H 3.500 . 5.000 4.637 3.645 5.026 0.026 20 0 "[ . 1 . 2]" 1
522 1 31 LEU QD 1 32 CYS H 4.100 2.300 8.400 3.863 1.832 4.416 0.468 20 0 "[ . 1 . 2]" 1
523 1 31 LEU QD 1 33 CYS H 4.100 2.300 8.400 5.116 3.916 5.913 . 0 0 "[ . 1 . 2]" 1
524 1 37 LYS QD 1 38 PHE H 4.100 2.300 7.000 4.255 3.068 5.059 . 0 0 "[ . 1 . 2]" 1
525 1 40 ARG QD 1 41 ALA H 3.400 . 6.000 4.621 3.027 5.300 . 0 0 "[ . 1 . 2]" 1
526 1 44 ILE MD 1 45 CYS H 3.400 . 6.000 2.633 2.113 3.062 . 0 0 "[ . 1 . 2]" 1
527 1 44 ILE MD 1 46 ARG H 2.800 . 3.800 2.364 1.793 2.808 0.007 1 0 "[ . 1 . 2]" 1
528 1 49 ARG QD 1 50 GLY H 4.100 2.300 7.000 4.650 3.338 5.900 . 0 0 "[ . 1 . 2]" 1
529 1 3 GLU HB2 1 4 CYS H 3.500 . 5.000 3.978 3.091 4.603 . 0 0 "[ . 1 . 2]" 1
530 1 4 CYS HB2 1 5 ASP H 3.500 . 5.000 4.418 4.174 4.667 . 0 0 "[ . 1 . 2]" 1
531 1 4 CYS HB2 1 6 CYS H 3.500 . 5.000 4.792 4.440 5.046 0.046 16 0 "[ . 1 . 2]" 1
532 1 6 CYS HB2 1 7 SER H 4.200 2.400 6.000 3.163 2.305 4.376 0.095 18 0 "[ . 1 . 2]" 1
533 1 6 CYS HB2 1 8 SER H 3.500 . 5.000 3.390 2.651 4.526 . 0 0 "[ . 1 . 2]" 1
534 1 8 SER H 1 11 ASN HB2 4.200 2.400 6.000 4.227 3.604 5.966 . 0 0 "[ . 1 . 2]" 1
535 1 8 SER HB2 1 10 GLU H 3.500 . 5.000 4.050 2.653 4.933 . 0 0 "[ . 1 . 2]" 1
536 1 10 GLU H 1 11 ASN HB2 3.500 . 5.000 4.382 3.633 5.048 0.048 8 0 "[ . 1 . 2]" 1
537 1 10 GLU HB2 1 11 ASN H 4.200 2.400 6.000 3.983 3.078 4.454 . 0 0 "[ . 1 . 2]" 1
538 1 13 CYS HB2 1 14 CYS H 3.500 . 5.000 3.791 2.849 4.158 . 0 0 "[ . 1 . 2]" 1
539 1 14 CYS HB2 1 15 ASP H 3.500 . 5.000 3.065 2.179 4.126 . 0 0 "[ . 1 . 2]" 1
540 1 15 ASP HB2 1 16 ALA H 3.500 . 5.000 4.443 4.310 4.551 . 0 0 "[ . 1 . 2]" 1
541 1 15 ASP HB2 1 17 ALA H 4.200 2.400 6.000 4.876 4.515 5.396 . 0 0 "[ . 1 . 2]" 1
542 1 15 ASP HB2 1 18 THR H 4.200 2.400 6.000 4.329 3.985 4.605 . 0 0 "[ . 1 . 2]" 1
543 1 15 ASP HB2 1 19 CYS H 4.200 2.400 6.000 5.074 4.785 5.432 . 0 0 "[ . 1 . 2]" 1
544 1 19 CYS HB2 1 20 LYS H 4.200 2.400 6.000 4.455 4.247 4.670 . 0 0 "[ . 1 . 2]" 1
545 1 27 CYS HB2 1 28 GLY H 3.500 . 5.000 3.428 2.725 4.270 . 0 0 "[ . 1 . 2]" 1
546 1 28 GLY H 1 29 GLU HB2 4.200 2.400 6.000 5.675 5.140 6.074 0.074 10 0 "[ . 1 . 2]" 1
547 1 27 CYS HB2 1 29 GLU H 3.500 . 5.000 3.463 2.666 4.583 . 0 0 "[ . 1 . 2]" 1
548 1 29 GLU H 1 33 CYS HB2 4.200 2.400 6.000 4.648 3.826 5.133 . 0 0 "[ . 1 . 2]" 1
549 1 29 GLU HB2 1 30 GLY H 3.500 . 5.000 3.215 2.023 4.130 . 0 0 "[ . 1 . 2]" 1
550 1 30 GLY H 1 33 CYS HB2 3.500 . 5.000 3.761 2.824 5.061 0.061 5 0 "[ . 1 . 2]" 1
551 1 31 LEU HB2 1 32 CYS H 3.500 . 5.000 3.159 2.773 4.124 . 0 0 "[ . 1 . 2]" 1
552 1 33 CYS HB2 1 34 GLU H 4.200 2.400 6.000 4.460 4.257 4.574 . 0 0 "[ . 1 . 2]" 1
553 1 34 GLU H 1 37 LYS HB2 4.200 2.400 6.000 4.368 3.670 5.218 . 0 0 "[ . 1 . 2]" 1
554 1 34 GLU HB2 1 35 GLN H 3.500 . 5.000 4.147 3.410 4.577 . 0 0 "[ . 1 . 2]" 1
555 1 35 GLN HB2 1 36 CYS H 4.200 2.400 6.000 4.308 4.052 4.675 . 0 0 "[ . 1 . 2]" 1
556 1 35 GLN HB2 1 37 LYS H 4.200 2.400 6.000 4.244 3.556 5.020 . 0 0 "[ . 1 . 2]" 1
557 1 36 CYS HB2 1 37 LYS H 4.200 2.400 6.000 4.112 3.613 4.277 . 0 0 "[ . 1 . 2]" 1
558 1 37 LYS HB2 1 38 PHE H 3.500 . 5.000 4.035 3.733 4.226 . 0 0 "[ . 1 . 2]" 1
559 1 38 PHE HB2 1 39 SER H 3.500 . 5.000 4.420 4.285 4.498 . 0 0 "[ . 1 . 2]" 1
560 1 39 SER HB2 1 40 ARG H 3.500 . 5.000 2.875 1.992 3.931 0.008 14 0 "[ . 1 . 2]" 1
561 1 55 ASP HB2 1 56 ARG H 3.500 . 5.000 4.315 3.819 4.656 . 0 0 "[ . 1 . 2]" 1
562 1 56 ARG HB2 1 57 CYS H 3.500 . 5.000 4.338 3.984 4.577 . 0 0 "[ . 1 . 2]" 1
563 1 57 CYS HB2 1 58 THR H 4.200 2.400 6.000 3.717 3.406 3.937 . 0 0 "[ . 1 . 2]" 1
564 1 60 GLN H 1 61 SER HB2 3.500 . 5.000 4.725 4.005 5.015 0.015 1 0 "[ . 1 . 2]" 1
565 1 60 GLN HB2 1 61 SER H 4.200 2.400 6.000 3.429 3.134 3.893 . 0 0 "[ . 1 . 2]" 1
566 1 61 SER HB2 1 62 ALA H 3.500 . 5.000 4.254 3.819 4.688 . 0 0 "[ . 1 . 2]" 1
567 1 61 SER HB2 1 63 ASP H 3.500 . 5.000 4.863 4.418 5.036 0.036 15 0 "[ . 1 . 2]" 1
568 1 66 ARG HB2 1 68 HIS H 3.500 . 5.000 3.996 2.359 4.884 . 0 0 "[ . 1 . 2]" 1
569 1 67 TYR HB2 1 68 HIS H 3.500 . 5.000 4.166 2.841 4.688 . 0 0 "[ . 1 . 2]" 1
570 1 3 GLU HB3 1 4 CYS H 3.500 . 5.000 3.947 2.581 4.697 . 0 0 "[ . 1 . 2]" 1
571 1 4 CYS HB3 1 5 ASP H 4.200 2.400 6.000 4.112 3.521 4.521 . 0 0 "[ . 1 . 2]" 1
572 1 4 CYS HB3 1 6 CYS H 3.500 . 5.000 4.065 2.987 4.856 . 0 0 "[ . 1 . 2]" 1
573 1 6 CYS HB3 1 7 SER H 4.200 2.400 6.000 3.931 2.395 4.445 0.005 19 0 "[ . 1 . 2]" 1
574 1 6 CYS HB3 1 8 SER H 3.500 . 5.000 4.201 2.245 4.988 . 0 0 "[ . 1 . 2]" 1
575 1 7 SER HB3 1 8 SER H 3.500 . 5.000 3.910 2.904 4.659 . 0 0 "[ . 1 . 2]" 1
576 1 8 SER H 1 11 ASN HB3 3.500 . 5.000 4.408 3.847 5.053 0.053 8 0 "[ . 1 . 2]" 1
577 1 8 SER HB3 1 10 GLU H 3.500 . 5.000 3.268 2.350 4.983 . 0 0 "[ . 1 . 2]" 1
578 1 10 GLU H 1 11 ASN HB3 3.500 . 5.000 4.843 3.944 5.030 0.030 13 0 "[ . 1 . 2]" 1
579 1 10 GLU HB3 1 11 ASN H 3.500 . 5.000 3.898 2.891 4.655 . 0 0 "[ . 1 . 2]" 1
580 1 12 PRO HB3 1 13 CYS H 4.200 2.400 6.000 4.370 4.110 4.670 . 0 0 "[ . 1 . 2]" 1
581 1 12 PRO HB2 1 13 CYS H 3.500 . 5.000 3.673 3.204 4.182 . 0 0 "[ . 1 . 2]" 1
582 1 13 CYS H 1 14 CYS HB3 4.200 2.400 6.000 5.063 4.208 5.831 . 0 0 "[ . 1 . 2]" 1
583 1 12 PRO QG 1 14 CYS H 4.100 2.300 7.000 5.165 4.866 5.769 . 0 0 "[ . 1 . 2]" 1
584 1 13 CYS HB3 1 14 CYS H 3.500 . 5.000 3.555 2.774 4.092 . 0 0 "[ . 1 . 2]" 1
585 1 14 CYS HB3 1 15 ASP H 3.500 . 5.000 3.953 2.567 4.476 . 0 0 "[ . 1 . 2]" 1
586 1 15 ASP HB3 1 16 ALA H 3.500 . 5.000 4.009 3.715 4.201 . 0 0 "[ . 1 . 2]" 1
587 1 15 ASP HB3 1 18 THR H 4.200 2.400 6.000 2.654 2.395 2.925 0.005 14 0 "[ . 1 . 2]" 1
588 1 15 ASP HB3 1 19 CYS H 2.800 . 3.800 3.432 3.093 3.817 0.017 4 0 "[ . 1 . 2]" 1
589 1 19 CYS HB3 1 20 LYS H 4.200 2.400 6.000 3.992 3.838 4.238 . 0 0 "[ . 1 . 2]" 1
590 1 20 LYS HB3 1 21 LEU H 3.500 . 5.000 2.314 2.019 2.873 . 0 0 "[ . 1 . 2]" 1
591 1 27 CYS HB3 1 28 GLY H 3.500 . 5.000 4.204 3.916 4.498 . 0 0 "[ . 1 . 2]" 1
592 1 28 GLY H 1 29 GLU HB3 4.200 2.400 6.000 5.134 4.791 5.557 . 0 0 "[ . 1 . 2]" 1
593 1 27 CYS HB3 1 29 GLU H 3.500 . 5.000 4.561 4.277 4.871 . 0 0 "[ . 1 . 2]" 1
594 1 29 GLU H 1 33 CYS HB3 4.200 2.400 6.000 4.501 3.527 5.059 . 0 0 "[ . 1 . 2]" 1
595 1 31 LEU HB3 1 32 CYS H 3.500 . 5.000 3.704 3.019 4.525 . 0 0 "[ . 1 . 2]" 1
596 1 32 CYS H 1 33 CYS HB3 4.200 2.400 6.000 5.193 3.965 5.985 . 0 0 "[ . 1 . 2]" 1
597 1 33 CYS HB3 1 34 GLU H 4.200 2.400 6.000 3.957 3.568 4.436 . 0 0 "[ . 1 . 2]" 1
598 1 34 GLU HB3 1 35 GLN H 4.200 2.400 6.000 3.687 3.110 4.452 . 0 0 "[ . 1 . 2]" 1
599 1 35 GLN HB3 1 36 CYS H 4.200 2.400 6.000 4.306 4.107 4.558 . 0 0 "[ . 1 . 2]" 1
600 1 34 GLU HB3 1 37 LYS H 4.200 2.400 6.000 5.075 4.342 5.508 . 0 0 "[ . 1 . 2]" 1
601 1 35 GLN HB3 1 37 LYS H 4.200 2.400 6.000 4.278 3.629 4.964 . 0 0 "[ . 1 . 2]" 1
602 1 36 CYS HB3 1 37 LYS H 4.200 2.400 6.000 4.350 4.132 4.545 . 0 0 "[ . 1 . 2]" 1
603 1 37 LYS HB3 1 38 PHE H 3.500 . 5.000 2.836 2.490 3.503 . 0 0 "[ . 1 . 2]" 1
604 1 38 PHE HB3 1 39 SER H 3.500 . 5.000 3.570 3.362 3.801 . 0 0 "[ . 1 . 2]" 1
605 1 39 SER HB3 1 40 ARG H 3.500 . 5.000 2.615 1.991 3.664 0.009 9 0 "[ . 1 . 2]" 1
606 1 40 ARG QB 1 41 ALA H 2.800 . 3.800 2.998 2.624 3.453 . 0 0 "[ . 1 . 2]" 1
607 1 54 ASP HB3 1 55 ASP H 3.500 . 5.000 2.982 2.089 3.834 . 0 0 "[ . 1 . 2]" 1
608 1 55 ASP HB3 1 56 ARG H 3.500 . 5.000 3.593 2.765 4.238 . 0 0 "[ . 1 . 2]" 1
609 1 56 ARG HB3 1 57 CYS H 3.500 . 5.000 3.691 3.228 4.188 . 0 0 "[ . 1 . 2]" 1
610 1 57 CYS HB3 1 58 THR H 3.500 . 5.000 2.719 2.542 2.951 . 0 0 "[ . 1 . 2]" 1
611 1 60 GLN H 1 61 SER HB3 4.200 2.400 6.000 5.341 3.981 6.021 0.021 20 0 "[ . 1 . 2]" 1
612 1 60 GLN HB3 1 61 SER H 3.500 . 5.000 4.204 3.805 4.498 . 0 0 "[ . 1 . 2]" 1
613 1 61 SER HB3 1 63 ASP H 3.500 . 5.000 4.133 3.213 4.992 . 0 0 "[ . 1 . 2]" 1
614 1 63 ASP HB3 1 64 CYS H 3.500 . 5.000 2.282 1.983 2.415 0.017 12 0 "[ . 1 . 2]" 1
615 1 66 ARG HB3 1 67 TYR H 3.500 . 5.000 3.394 1.987 4.419 0.013 3 0 "[ . 1 . 2]" 1
616 1 66 ARG HB3 1 68 HIS H 4.200 2.400 6.000 4.055 2.431 6.010 0.010 1 0 "[ . 1 . 2]" 1
617 1 5 ASP QB 1 6 CYS H 3.400 . 6.000 3.215 2.849 3.656 . 0 0 "[ . 1 . 2]" 1
618 1 8 SER QB 1 11 ASN H 3.400 . 6.000 2.721 1.985 3.794 . 0 0 "[ . 1 . 2]" 1
619 1 17 ALA MB 1 18 THR H 2.800 . 3.800 2.544 2.149 2.927 . 0 0 "[ . 1 . 2]" 1
620 1 21 LEU QB 1 22 ARG H 2.800 . 3.800 3.200 3.071 3.319 . 0 0 "[ . 1 . 2]" 1
621 1 23 PRO QB 1 24 GLY H 3.400 . 6.000 1.940 1.833 2.184 . 0 0 "[ . 1 . 2]" 1
622 1 21 LEU QB 1 25 ALA H 3.400 . 6.000 3.541 3.110 4.083 . 0 0 "[ . 1 . 2]" 1
623 1 23 PRO QB 1 25 ALA H 4.100 2.300 7.000 2.840 2.532 3.666 . 0 0 "[ . 1 . 2]" 1
624 1 25 ALA MB 1 26 GLN H 3.400 . 6.000 2.919 2.479 3.318 . 0 0 "[ . 1 . 2]" 1
625 1 26 GLN QB 1 27 CYS H 3.400 . 6.000 3.127 2.892 3.348 . 0 0 "[ . 1 . 2]" 1
626 1 41 ALA MB 1 42 GLY H 3.400 . 6.000 2.458 2.258 2.640 . 0 0 "[ . 1 . 2]" 1
627 1 45 CYS QB 1 46 ARG H 4.100 2.300 7.000 3.639 3.367 3.864 . 0 0 "[ . 1 . 2]" 1
628 1 48 PRO QB 1 49 ARG H 3.400 . 6.000 3.271 2.342 3.933 . 0 0 "[ . 1 . 2]" 1
629 1 48 PRO QB 1 50 GLY H 4.100 2.300 7.000 4.157 2.244 6.182 0.056 7 0 "[ . 1 . 2]" 1
630 1 49 ARG QB 1 50 GLY H 3.400 . 6.000 3.496 1.776 4.052 0.024 15 0 "[ . 1 . 2]" 1
631 1 51 GLU QB 1 52 MET H 4.100 2.300 7.000 3.479 1.811 4.050 0.489 5 0 "[ . 1 . 2]" 1
632 1 62 ALA MB 1 63 ASP H 3.400 . 6.000 2.543 2.258 2.836 . 0 0 "[ . 1 . 2]" 1
633 1 65 PRO QB 1 66 ARG H 3.400 . 6.000 2.124 1.827 3.759 . 0 0 "[ . 1 . 2]" 1
634 1 18 THR HB 1 20 LYS H 3.500 . 5.000 4.286 3.645 4.966 . 0 0 "[ . 1 . 2]" 1
635 1 44 ILE HB 1 45 CYS H 3.500 . 5.000 4.392 4.201 4.557 . 0 0 "[ . 1 . 2]" 1
636 1 44 ILE HB 1 46 ARG H 4.200 2.400 6.000 5.094 4.797 5.462 . 0 0 "[ . 1 . 2]" 1
637 1 58 THR HB 1 60 GLN H 3.500 . 5.000 3.837 3.357 4.284 . 0 0 "[ . 1 . 2]" 1
638 1 58 THR HB 1 61 SER H 4.200 2.400 6.000 4.721 4.340 5.031 . 0 0 "[ . 1 . 2]" 1
639 1 50 GLY QA 1 52 MET H 4.100 2.300 7.000 3.861 2.962 6.161 . 0 0 "[ . 1 . 2]" 1
640 1 58 THR HA 1 61 SER H 3.500 . 5.000 5.052 5.013 5.104 0.104 19 0 "[ . 1 . 2]" 1
641 1 7 SER H 1 8 SER HA 4.200 2.400 6.000 4.906 4.596 5.300 . 0 0 "[ . 1 . 2]" 1
642 1 6 CYS HA 1 8 SER H 3.500 . 5.000 4.006 3.495 4.642 . 0 0 "[ . 1 . 2]" 1
643 1 8 SER HA 1 10 GLU H 4.200 2.400 6.000 3.742 3.404 4.186 . 0 0 "[ . 1 . 2]" 1
644 1 9 PRO HA 1 11 ASN H 3.500 . 5.000 3.881 3.446 4.275 . 0 0 "[ . 1 . 2]" 1
645 1 12 PRO HA 1 14 CYS H 3.500 . 5.000 3.662 3.319 4.446 . 0 0 "[ . 1 . 2]" 1
646 1 15 ASP HA 1 17 ALA H 3.500 . 5.000 3.815 3.537 4.287 . 0 0 "[ . 1 . 2]" 1
647 1 16 ALA HA 1 19 CYS H 3.500 . 5.000 3.012 2.724 3.424 . 0 0 "[ . 1 . 2]" 1
648 1 23 PRO HA 1 25 ALA H 3.500 . 5.000 4.235 4.147 4.449 . 0 0 "[ . 1 . 2]" 1
649 1 28 GLY H 1 29 GLU HA 4.200 2.400 6.000 4.974 4.688 5.186 . 0 0 "[ . 1 . 2]" 1
650 1 27 CYS HA 1 29 GLU H 3.500 . 5.000 3.805 3.461 4.144 . 0 0 "[ . 1 . 2]" 1
651 1 32 CYS H 1 33 CYS HA 4.200 2.400 6.000 4.826 4.543 5.196 . 0 0 "[ . 1 . 2]" 1
652 1 30 GLY HA2 1 33 CYS H 4.200 2.400 6.000 5.388 4.360 5.937 . 0 0 "[ . 1 . 2]" 1
653 1 30 GLY HA3 1 33 CYS H 3.500 . 5.000 4.262 3.199 4.852 . 0 0 "[ . 1 . 2]" 1
654 1 34 GLU H 1 35 GLN HA 4.200 2.400 6.000 6.013 5.799 6.104 0.104 17 0 "[ . 1 . 2]" 1
655 1 34 GLU H 1 38 PHE HA 4.200 2.400 6.000 4.304 3.955 4.618 . 0 0 "[ . 1 . 2]" 1
656 1 34 GLU HA 1 36 CYS H 3.500 . 5.000 3.639 3.404 4.153 . 0 0 "[ . 1 . 2]" 1
657 1 33 CYS HA 1 37 LYS H 4.200 2.400 6.000 3.982 3.411 4.725 . 0 0 "[ . 1 . 2]" 1
658 1 35 GLN HA 1 37 LYS H 4.200 2.400 6.000 4.526 4.142 4.859 . 0 0 "[ . 1 . 2]" 1
659 1 37 LYS HA 1 39 SER H 4.200 2.400 6.000 5.820 5.565 6.009 0.009 9 0 "[ . 1 . 2]" 1
660 1 41 ALA HA 1 43 LYS H 3.500 . 5.000 3.124 2.990 3.226 . 0 0 "[ . 1 . 2]" 1
661 1 41 ALA MB 1 43 LYS H 4.100 2.300 7.000 4.138 4.009 4.281 . 0 0 "[ . 1 . 2]" 1
662 1 44 ILE HA 1 46 ARG H 3.500 . 5.000 3.539 3.405 3.658 . 0 0 "[ . 1 . 2]" 1
663 1 55 ASP H 1 56 ARG HA 4.200 2.400 6.000 5.142 4.642 5.513 . 0 0 "[ . 1 . 2]" 1
664 1 58 THR HA 1 60 GLN H 3.500 . 5.000 4.350 4.160 4.580 . 0 0 "[ . 1 . 2]" 1
665 1 61 SER HA 1 63 ASP H 3.500 . 5.000 4.020 3.478 4.478 . 0 0 "[ . 1 . 2]" 1
666 1 3 GLU HA 1 4 CYS HA 4.200 2.400 6.000 4.469 4.367 4.532 . 0 0 "[ . 1 . 2]" 1
667 1 6 CYS HA 1 7 SER HA 4.200 2.400 6.000 4.467 4.420 4.578 . 0 0 "[ . 1 . 2]" 1
668 1 4 CYS HB3 1 7 SER HA 4.200 2.400 6.000 5.099 4.334 5.964 . 0 0 "[ . 1 . 2]" 1
669 1 4 CYS HB2 1 7 SER HA 4.200 2.400 6.000 5.975 5.838 6.072 0.072 18 0 "[ . 1 . 2]" 1
670 1 8 SER HA 1 9 PRO HA 3.500 . 5.000 4.461 4.413 4.501 . 0 0 "[ . 1 . 2]" 1
671 1 8 SER HA 1 9 PRO QB 3.400 . 6.000 4.578 4.534 4.614 . 0 0 "[ . 1 . 2]" 1
672 1 8 SER HA 1 10 GLU QB 4.100 2.300 7.000 5.315 4.745 5.889 . 0 0 "[ . 1 . 2]" 1
673 1 8 SER HB2 1 11 ASN HB3 3.500 . 5.000 3.518 2.152 4.986 . 0 0 "[ . 1 . 2]" 1
674 1 8 SER HB2 1 11 ASN HB2 3.500 . 5.000 2.572 1.971 4.411 0.029 2 0 "[ . 1 . 2]" 1
675 1 8 SER HB2 1 10 GLU QB 4.100 2.300 7.000 5.150 3.573 6.287 . 0 0 "[ . 1 . 2]" 1
676 1 13 CYS HA 1 14 CYS QB 3.400 . 6.000 5.033 4.790 5.398 . 0 0 "[ . 1 . 2]" 1
677 1 13 CYS HA 1 14 CYS HA 4.200 2.400 6.000 4.491 4.430 4.560 . 0 0 "[ . 1 . 2]" 1
678 1 14 CYS HA 1 15 ASP HA 4.200 2.400 6.000 4.410 4.360 4.469 . 0 0 "[ . 1 . 2]" 1
679 1 14 CYS HA 1 15 ASP HB3 3.500 . 5.000 5.019 4.891 5.073 0.073 3 0 "[ . 1 . 2]" 1
680 1 14 CYS HA 1 15 ASP HB2 4.200 2.400 6.000 4.307 4.124 4.519 . 0 0 "[ . 1 . 2]" 1
681 1 14 CYS QB 1 15 ASP HA 4.200 2.400 6.000 4.756 4.211 5.153 . 0 0 "[ . 1 . 2]" 1
682 1 15 ASP HB3 1 18 THR MG 3.400 . 6.000 2.301 1.710 3.532 0.090 19 0 "[ . 1 . 2]" 1
683 1 15 ASP HB2 1 18 THR MG 3.400 . 6.000 3.438 2.734 4.631 . 0 0 "[ . 1 . 2]" 1
684 1 14 CYS QB 1 16 ALA HA 4.100 2.300 7.000 5.154 4.576 5.553 . 0 0 "[ . 1 . 2]" 1
685 1 16 ALA HA 1 19 CYS HA 3.500 . 5.000 2.828 2.523 3.351 . 0 0 "[ . 1 . 2]" 1
686 1 20 LYS HA 1 21 LEU MD1 4.200 2.400 6.000 4.243 3.581 4.800 . 0 0 "[ . 1 . 2]" 1
687 1 22 ARG HD3 1 23 PRO HD2 4.200 2.400 6.000 5.571 4.983 5.980 . 0 0 "[ . 1 . 2]" 1
688 1 22 ARG HD2 1 23 PRO HD2 4.200 2.400 6.000 5.631 4.926 6.013 0.013 20 0 "[ . 1 . 2]" 1
689 1 21 LEU QB 1 23 PRO HD2 3.400 . 6.000 3.020 2.765 3.387 . 0 0 "[ . 1 . 2]" 1
690 1 24 GLY HA2 1 25 ALA MB 4.100 2.300 7.000 4.658 4.471 4.724 . 0 0 "[ . 1 . 2]" 1
691 1 25 ALA HA 1 26 GLN HG3 4.200 2.400 6.000 5.698 4.177 6.036 0.036 18 0 "[ . 1 . 2]" 1
692 1 25 ALA HA 1 26 GLN HA 4.200 2.400 6.000 4.420 4.403 4.470 . 0 0 "[ . 1 . 2]" 1
693 1 27 CYS HA 1 28 GLY HA2 3.500 . 5.000 4.428 4.401 4.466 . 0 0 "[ . 1 . 2]" 1
694 1 26 GLN HG3 1 27 CYS HB3 4.200 2.400 6.000 5.885 5.495 6.075 0.075 17 0 "[ . 1 . 2]" 1
695 1 26 GLN HB3 1 27 CYS HB3 4.200 2.400 6.000 3.696 3.269 4.507 . 0 0 "[ . 1 . 2]" 1
696 1 26 GLN HB2 1 27 CYS HB3 4.200 2.400 6.000 4.812 3.819 5.492 . 0 0 "[ . 1 . 2]" 1
697 1 28 GLY HA2 1 29 GLU HB3 4.200 2.400 6.000 5.112 4.596 5.835 . 0 0 "[ . 1 . 2]" 1
698 1 28 GLY HA2 1 29 GLU HB2 4.200 2.400 6.000 5.446 4.570 6.109 0.109 8 0 "[ . 1 . 2]" 1
699 1 28 GLY HA2 1 29 GLU QG 4.100 2.300 7.000 5.412 4.805 6.141 . 0 0 "[ . 1 . 2]" 1
700 1 29 GLU HA 1 33 CYS HB3 4.200 2.400 6.000 3.665 2.712 4.465 . 0 0 "[ . 1 . 2]" 1
701 1 29 GLU HA 1 33 CYS HB2 4.200 2.400 6.000 3.933 3.151 4.829 . 0 0 "[ . 1 . 2]" 1
702 1 30 GLY HA3 1 31 LEU HB2 4.200 2.400 6.000 4.995 4.759 6.062 0.062 20 0 "[ . 1 . 2]" 1
703 1 30 GLY HA3 1 31 LEU QD 2.300 . 7.400 4.409 3.146 5.397 . 0 0 "[ . 1 . 2]" 1
704 1 30 GLY HA2 1 33 CYS HB3 4.200 2.400 6.000 5.551 4.114 6.049 0.049 8 0 "[ . 1 . 2]" 1
705 1 31 LEU HA 1 32 CYS HA 4.200 2.400 6.000 4.544 4.482 4.666 . 0 0 "[ . 1 . 2]" 1
706 1 31 LEU QD 1 32 CYS HA 4.100 2.300 8.400 4.870 3.199 5.371 . 0 0 "[ . 1 . 2]" 1
707 1 33 CYS HA 1 34 GLU HB3 4.200 2.400 6.000 5.319 4.453 5.825 . 0 0 "[ . 1 . 2]" 1
708 1 33 CYS HA 1 34 GLU HB2 4.200 2.400 6.000 4.772 4.267 5.778 . 0 0 "[ . 1 . 2]" 1
709 1 33 CYS HA 1 34 GLU QG 4.100 2.300 7.000 4.553 3.427 5.838 . 0 0 "[ . 1 . 2]" 1
710 1 33 CYS HA 1 34 GLU HA 4.200 2.400 6.000 4.465 4.449 4.497 . 0 0 "[ . 1 . 2]" 1
711 1 37 LYS HA 1 38 PHE HA 4.200 2.400 6.000 4.378 4.364 4.394 . 0 0 "[ . 1 . 2]" 1
712 1 38 PHE HA 1 39 SER HA 3.500 . 5.000 4.473 4.442 4.522 . 0 0 "[ . 1 . 2]" 1
713 1 39 SER HB3 1 43 LYS QE 4.100 2.300 7.000 3.364 1.983 5.204 0.317 4 0 "[ . 1 . 2]" 1
714 1 39 SER HB2 1 43 LYS QD 3.400 . 6.000 4.622 3.090 5.324 . 0 0 "[ . 1 . 2]" 1
715 1 39 SER HB2 1 43 LYS HG3 3.500 . 5.000 4.680 4.073 5.016 0.016 3 0 "[ . 1 . 2]" 1
716 1 39 SER HB2 1 43 LYS HG2 4.200 2.400 6.000 3.122 2.554 3.500 . 0 0 "[ . 1 . 2]" 1
717 1 40 ARG HA 1 41 ALA HA 3.500 . 5.000 4.386 4.371 4.421 . 0 0 "[ . 1 . 2]" 1
718 1 38 PHE HB2 1 40 ARG HA 4.200 2.400 6.000 6.002 5.833 6.084 0.084 20 0 "[ . 1 . 2]" 1
719 1 40 ARG HA 1 41 ALA MB 3.400 . 6.000 4.127 4.083 4.178 . 0 0 "[ . 1 . 2]" 1
720 1 41 ALA MB 1 42 GLY HA2 4.100 2.300 7.000 4.085 3.969 4.206 . 0 0 "[ . 1 . 2]" 1
721 1 42 GLY HA2 1 44 ILE HA 4.200 2.400 6.000 5.902 5.750 6.054 0.054 9 0 "[ . 1 . 2]" 1
722 1 44 ILE HA 1 45 CYS HB2 4.200 2.400 6.000 5.656 4.243 5.791 . 0 0 "[ . 1 . 2]" 1
723 1 45 CYS HA 1 46 ARG HA 3.500 . 5.000 4.517 4.469 4.546 . 0 0 "[ . 1 . 2]" 1
724 1 44 ILE HA 1 45 CYS HA 3.500 . 5.000 4.458 4.445 4.480 . 0 0 "[ . 1 . 2]" 1
725 1 43 LYS HG3 1 45 CYS HA 4.200 2.400 6.000 3.978 3.728 4.207 . 0 0 "[ . 1 . 2]" 1
726 1 43 LYS HG2 1 45 CYS HA 4.200 2.400 6.000 5.325 4.995 5.687 . 0 0 "[ . 1 . 2]" 1
727 1 44 ILE MD 1 45 CYS HA 3.400 . 6.000 4.546 3.464 4.917 . 0 0 "[ . 1 . 2]" 1
728 1 46 ARG HA 1 47 ILE MG 3.400 . 6.000 4.335 3.575 5.111 . 0 0 "[ . 1 . 2]" 1
729 1 46 ARG HA 1 47 ILE MD 4.100 2.300 7.000 5.632 3.513 5.875 . 0 0 "[ . 1 . 2]" 1
730 1 47 ILE MG 1 48 PRO HA 3.400 . 6.000 4.101 3.714 4.697 . 0 0 "[ . 1 . 2]" 1
731 1 47 ILE MG 1 48 PRO HD2 3.400 . 6.000 3.474 1.715 4.604 0.085 4 0 "[ . 1 . 2]" 1
732 1 47 ILE MD 1 48 PRO HD2 4.100 2.300 7.000 3.242 2.083 5.079 0.217 6 0 "[ . 1 . 2]" 1
733 1 47 ILE MG 1 49 ARG HA 4.100 2.300 7.000 4.503 3.454 5.588 . 0 0 "[ . 1 . 2]" 1
734 1 47 ILE MD 1 49 ARG HA 4.100 2.300 7.000 5.263 3.062 5.733 . 0 0 "[ . 1 . 2]" 1
735 1 47 ILE MG 1 49 ARG QD 4.100 2.300 8.000 3.862 2.243 5.785 0.057 6 0 "[ . 1 . 2]" 1
736 1 47 ILE MD 1 49 ARG QD 4.100 2.300 8.000 4.803 3.029 5.778 . 0 0 "[ . 1 . 2]" 1
737 1 52 MET HA 1 53 PRO HD3 3.500 . 5.000 2.126 1.947 3.319 0.053 14 0 "[ . 1 . 2]" 1
738 1 52 MET HA 1 53 PRO HD2 3.500 . 5.000 2.555 2.161 2.821 . 0 0 "[ . 1 . 2]" 1
739 1 52 MET HA 1 53 PRO QG 3.400 . 6.000 3.968 3.802 4.465 . 0 0 "[ . 1 . 2]" 1
740 1 53 PRO HA 1 54 ASP HB3 4.200 2.400 6.000 5.815 5.699 6.119 0.119 6 0 "[ . 1 . 2]" 1
741 1 53 PRO HA 1 54 ASP HB2 3.500 . 5.000 4.935 4.646 5.058 0.058 6 0 "[ . 1 . 2]" 1
742 1 52 MET HG3 1 53 PRO HD3 4.200 2.400 6.000 4.447 2.687 5.392 . 0 0 "[ . 1 . 2]" 1
743 1 52 MET HG2 1 53 PRO HD3 4.200 2.400 6.000 3.902 2.387 5.286 0.013 13 0 "[ . 1 . 2]" 1
744 1 52 MET QB 1 53 PRO HD3 3.400 . 6.000 3.395 2.650 4.325 . 0 0 "[ . 1 . 2]" 1
745 1 52 MET HG3 1 53 PRO HD2 4.200 2.400 6.000 3.970 2.442 5.999 . 0 0 "[ . 1 . 2]" 1
746 1 52 MET HB3 1 53 PRO HD2 3.500 . 5.000 2.794 1.964 4.842 0.036 17 0 "[ . 1 . 2]" 1
747 1 52 MET HB2 1 53 PRO HD2 3.500 . 5.000 3.606 1.919 4.878 0.081 7 0 "[ . 1 . 2]" 1
748 1 54 ASP HB3 1 56 ARG QG 4.100 2.300 7.000 4.848 3.270 6.268 . 0 0 "[ . 1 . 2]" 1
749 1 56 ARG HA 1 57 CYS HA 4.200 2.400 6.000 4.456 4.414 4.522 . 0 0 "[ . 1 . 2]" 1
750 1 56 ARG HA 1 57 CYS HB2 4.200 2.400 6.000 4.724 4.422 4.972 . 0 0 "[ . 1 . 2]" 1
751 1 54 ASP HB3 1 56 ARG HA 4.200 2.400 6.000 5.704 5.116 6.013 0.013 5 0 "[ . 1 . 2]" 1
752 1 54 ASP HB2 1 56 ARG HA 4.200 2.400 6.000 5.934 5.679 6.064 0.064 4 0 "[ . 1 . 2]" 1
753 1 57 CYS HA 1 58 THR MG 3.400 . 6.000 3.375 3.231 3.721 . 0 0 "[ . 1 . 2]" 1
754 1 58 THR HB 1 60 GLN QB 3.400 . 6.000 4.447 3.652 5.158 . 0 0 "[ . 1 . 2]" 1
755 1 58 THR HB 1 60 GLN QG 3.400 . 6.000 4.691 3.015 5.399 . 0 0 "[ . 1 . 2]" 1
756 1 59 GLY HA3 1 60 GLN QG 3.400 . 6.000 3.800 3.149 4.541 . 0 0 "[ . 1 . 2]" 1
757 1 63 ASP HA 1 64 CYS HB3 4.200 2.400 6.000 4.750 4.577 5.487 . 0 0 "[ . 1 . 2]" 1
758 1 63 ASP HA 1 64 CYS HB2 4.200 2.400 6.000 4.451 4.279 4.989 . 0 0 "[ . 1 . 2]" 1
759 1 64 CYS HA 1 65 PRO HA 4.200 2.400 6.000 4.416 4.384 4.477 . 0 0 "[ . 1 . 2]" 1
760 1 64 CYS HA 1 65 PRO HD3 2.600 . 3.400 1.887 1.828 2.023 . 0 0 "[ . 1 . 2]" 1
761 1 64 CYS HA 1 65 PRO HD2 2.600 . 3.400 2.185 2.094 2.288 . 0 0 "[ . 1 . 2]" 1
762 1 63 ASP HB3 1 64 CYS HA 4.200 2.400 6.000 4.687 4.366 4.985 . 0 0 "[ . 1 . 2]" 1
763 1 63 ASP HB2 1 64 CYS HA 4.200 2.400 6.000 4.606 4.293 5.064 . 0 0 "[ . 1 . 2]" 1
764 1 64 CYS HA 1 65 PRO HB2 4.200 2.400 6.000 5.338 5.328 5.353 . 0 0 "[ . 1 . 2]" 1
765 1 64 CYS HA 1 65 PRO HB3 3.500 . 5.000 4.865 4.804 5.002 0.002 3 0 "[ . 1 . 2]" 1
766 1 64 CYS HA 1 65 PRO HG3 3.500 . 5.000 4.107 4.075 4.200 . 0 0 "[ . 1 . 2]" 1
767 1 64 CYS HA 1 65 PRO HG2 3.500 . 5.000 4.265 4.236 4.312 . 0 0 "[ . 1 . 2]" 1
768 1 63 ASP HB3 1 65 PRO HA 4.200 2.400 6.000 5.636 5.152 6.019 0.019 5 0 "[ . 1 . 2]" 1
769 1 63 ASP HB2 1 65 PRO HA 4.200 2.400 6.000 5.566 5.001 6.003 0.003 18 0 "[ . 1 . 2]" 1
770 1 64 CYS HB3 1 65 PRO HD3 4.200 2.400 6.000 4.655 3.941 4.760 . 0 0 "[ . 1 . 2]" 1
771 1 64 CYS HB2 1 65 PRO HD3 4.200 2.400 6.000 4.317 4.221 4.636 . 0 0 "[ . 1 . 2]" 1
772 1 64 CYS HB3 1 65 PRO HD2 4.200 2.400 6.000 4.328 3.035 4.839 . 0 0 "[ . 1 . 2]" 1
773 1 64 CYS HB2 1 65 PRO HD2 4.200 2.400 6.000 4.019 3.806 4.321 . 0 0 "[ . 1 . 2]" 1
774 1 34 GLU H 1 38 PHE QD 4.100 2.300 8.400 5.678 5.120 6.164 . 0 0 "[ . 1 . 2]" 1
775 1 37 LYS HA 1 38 PHE QD 4.100 2.300 8.400 4.555 3.546 4.958 . 0 0 "[ . 1 . 2]" 1
776 1 66 ARG HA 1 67 TYR QD 4.100 2.300 8.400 4.917 3.545 5.969 . 0 0 "[ . 1 . 2]" 1
777 1 67 TYR H 1 67 TYR QD 2.300 . 7.400 3.402 1.990 4.549 . 0 0 "[ . 1 . 2]" 1
778 1 67 TYR QD 1 68 HIS H 2.300 . 7.400 4.023 2.895 4.821 . 0 0 "[ . 1 . 2]" 1
779 1 8 SER H 1 11 ASN HD22 4.200 2.400 6.000 5.671 2.831 6.032 0.032 15 0 "[ . 1 . 2]" 1
780 1 8 SER HB2 1 11 ASN HD22 4.200 2.400 6.000 4.844 2.990 5.762 . 0 0 "[ . 1 . 2]" 1
781 1 8 SER HB2 1 11 ASN HD21 4.200 2.400 6.000 3.556 2.349 4.702 0.051 8 0 "[ . 1 . 2]" 1
782 1 8 SER H 1 11 ASN HD21 4.200 2.400 6.000 4.268 3.216 4.928 . 0 0 "[ . 1 . 2]" 1
783 1 11 ASN HD22 1 13 CYS HB2 4.200 2.400 6.000 3.345 2.383 4.490 0.017 6 0 "[ . 1 . 2]" 1
784 1 11 ASN HD22 1 13 CYS H 4.200 2.400 6.000 3.896 3.102 4.733 . 0 0 "[ . 1 . 2]" 1
785 1 11 ASN HD21 1 13 CYS HB2 4.200 2.400 6.000 4.359 3.474 5.388 . 0 0 "[ . 1 . 2]" 1
786 1 11 ASN HD21 1 13 CYS H 4.200 2.400 6.000 4.391 3.352 4.965 . 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 6
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 CYS SG 1 19 CYS SG 2.020 . 2.120 2.021 2.020 2.022 . 0 0 "[ . 1 . 2]" 2
2 1 6 CYS SG 1 14 CYS SG 2.020 . 2.120 2.020 2.018 2.021 . 0 0 "[ . 1 . 2]" 2
3 1 13 CYS SG 1 36 CYS SG 2.020 . 2.120 2.019 2.012 2.022 . 0 0 "[ . 1 . 2]" 2
4 1 27 CYS SG 1 33 CYS SG 2.020 . 2.120 2.020 2.017 2.023 . 0 0 "[ . 1 . 2]" 2
5 1 32 CYS SG 1 57 CYS SG 2.020 . 2.120 2.019 2.012 2.021 . 0 0 "[ . 1 . 2]" 2
6 1 45 CYS SG 1 64 CYS SG 2.020 . 2.120 2.018 2.011 2.023 . 0 0 "[ . 1 . 2]" 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 59
_Distance_constraint_stats_list.Viol_count 29
_Distance_constraint_stats_list.Viol_total 11.724
_Distance_constraint_stats_list.Viol_max 0.051
_Distance_constraint_stats_list.Viol_rms 0.0040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0202
_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 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.333 0.051 5 0 "[ . 1 . 2]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.254 0.037 14 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 ASP H 1 5 ASP HA 4.200 2.400 6.000 2.964 2.889 2.993 . 0 0 "[ . 1 . 2]" 3
2 1 10 GLU H 1 10 GLU HA 2.600 . 3.400 2.943 2.844 2.992 . 0 0 "[ . 1 . 2]" 3
3 1 15 ASP H 1 15 ASP HA 2.600 . 3.400 2.906 2.794 2.992 . 0 0 "[ . 1 . 2]" 3
4 1 16 ALA H 1 16 ALA HA 2.600 . 3.400 2.894 2.856 2.946 . 0 0 "[ . 1 . 2]" 3
5 1 25 ALA H 1 25 ALA HA 2.600 . 3.400 2.902 2.873 2.981 . 0 0 "[ . 1 . 2]" 3
6 1 28 GLY H 1 28 GLY HA3 4.200 2.400 6.000 2.396 2.349 2.479 0.051 5 0 "[ . 1 . 2]" 3
7 1 28 GLY H 1 28 GLY HA2 4.200 2.400 6.000 2.936 2.870 2.988 . 0 0 "[ . 1 . 2]" 3
8 1 30 GLY H 1 30 GLY HA2 2.600 . 3.400 2.714 2.401 2.756 . 0 0 "[ . 1 . 2]" 3
9 1 35 GLN H 1 35 GLN HA 2.600 . 3.400 2.342 2.317 2.353 . 0 0 "[ . 1 . 2]" 3
10 1 36 CYS H 1 36 CYS HA 2.600 . 3.400 2.345 2.339 2.358 . 0 0 "[ . 1 . 2]" 3
11 1 40 ARG H 1 40 ARG HA 2.600 . 3.400 2.980 2.913 2.995 . 0 0 "[ . 1 . 2]" 3
12 1 43 LYS H 1 43 LYS HA 2.600 . 3.400 2.980 2.957 3.000 . 0 0 "[ . 1 . 2]" 3
13 1 49 ARG H 1 49 ARG HA 2.600 . 3.400 2.953 2.887 2.994 . 0 0 "[ . 1 . 2]" 3
14 1 51 GLU H 1 51 GLU HA 2.600 . 3.400 2.747 2.345 2.991 . 0 0 "[ . 1 . 2]" 3
15 1 56 ARG H 1 56 ARG HA 4.200 2.400 6.000 2.985 2.964 2.998 . 0 0 "[ . 1 . 2]" 3
16 1 59 GLY H 1 59 GLY HA3 4.200 2.400 6.000 2.943 2.898 2.968 . 0 0 "[ . 1 . 2]" 3
17 1 59 GLY H 1 59 GLY HA2 4.200 2.400 6.000 2.388 2.363 2.417 0.037 14 0 "[ . 1 . 2]" 3
18 1 67 TYR H 1 67 TYR HA 2.600 . 3.400 2.928 2.881 2.992 . 0 0 "[ . 1 . 2]" 3
19 1 3 GLU HA 1 3 GLU HB2 2.600 . 3.400 2.675 2.416 3.036 . 0 0 "[ . 1 . 2]" 3
20 1 4 CYS HA 1 4 CYS HB3 4.200 2.400 6.000 2.923 2.670 3.033 . 0 0 "[ . 1 . 2]" 3
21 1 5 ASP HA 1 5 ASP QB 3.500 . 5.000 2.519 2.406 2.549 . 0 0 "[ . 1 . 2]" 3
22 1 7 SER HA 1 7 SER HB3 2.600 . 3.400 2.738 2.253 3.037 . 0 0 "[ . 1 . 2]" 3
23 1 7 SER HA 1 7 SER HB2 2.600 . 3.400 2.701 2.315 3.036 . 0 0 "[ . 1 . 2]" 3
24 1 8 SER HA 1 8 SER HB3 2.600 . 3.400 2.566 2.252 3.014 . 0 0 "[ . 1 . 2]" 3
25 1 9 PRO HA 1 9 PRO HB3 2.600 . 3.400 2.306 2.303 2.308 . 0 0 "[ . 1 . 2]" 3
26 1 10 GLU HA 1 10 GLU HB3 2.600 . 3.400 2.715 2.396 3.034 . 0 0 "[ . 1 . 2]" 3
27 1 10 GLU HA 1 10 GLU HB2 2.600 . 3.400 2.682 2.379 3.027 . 0 0 "[ . 1 . 2]" 3
28 1 12 PRO HA 1 12 PRO QB 3.500 . 5.000 2.193 2.190 2.197 . 0 0 "[ . 1 . 2]" 3
29 1 16 ALA HA 1 16 ALA MB 3.500 . 5.000 2.130 2.110 2.149 . 0 0 "[ . 1 . 2]" 3
30 1 18 THR HA 1 18 THR HB 2.600 . 3.400 2.400 2.314 2.531 . 0 0 "[ . 1 . 2]" 3
31 1 19 CYS HA 1 19 CYS HB3 2.600 . 3.400 3.008 2.975 3.039 . 0 0 "[ . 1 . 2]" 3
32 1 19 CYS HA 1 19 CYS HB2 2.600 . 3.400 2.596 2.462 2.707 . 0 0 "[ . 1 . 2]" 3
33 1 20 LYS HA 1 20 LYS HB2 4.200 2.400 6.000 3.019 2.962 3.033 . 0 0 "[ . 1 . 2]" 3
34 1 23 PRO HA 1 23 PRO HB3 2.600 . 3.400 2.304 2.297 2.308 . 0 0 "[ . 1 . 2]" 3
35 1 23 PRO HA 1 23 PRO HB2 2.600 . 3.400 2.749 2.746 2.754 . 0 0 "[ . 1 . 2]" 3
36 1 27 CYS HA 1 27 CYS HB3 2.600 . 3.400 2.641 2.342 3.018 . 0 0 "[ . 1 . 2]" 3
37 1 27 CYS HA 1 27 CYS HB2 2.600 . 3.400 2.438 2.252 2.621 . 0 0 "[ . 1 . 2]" 3
38 1 29 GLU HA 1 29 GLU QB 3.500 . 5.000 2.298 2.190 2.463 . 0 0 "[ . 1 . 2]" 3
39 1 34 GLU HA 1 34 GLU QB 2.600 . 3.400 2.363 2.194 2.508 . 0 0 "[ . 1 . 2]" 3
40 1 39 SER HA 1 39 SER HB3 2.600 . 3.400 2.567 2.253 3.031 . 0 0 "[ . 1 . 2]" 3
41 1 40 ARG HA 1 40 ARG QB 2.600 . 3.400 2.430 2.195 2.546 . 0 0 "[ . 1 . 2]" 3
42 1 43 LYS HA 1 43 LYS HB3 2.600 . 3.400 3.026 3.009 3.033 . 0 0 "[ . 1 . 2]" 3
43 1 43 LYS HA 1 43 LYS HB2 2.600 . 3.400 2.408 2.353 2.466 . 0 0 "[ . 1 . 2]" 3
44 1 45 CYS HA 1 45 CYS HB3 2.600 . 3.400 2.387 2.285 2.845 . 0 0 "[ . 1 . 2]" 3
45 1 45 CYS HA 1 45 CYS HB2 2.600 . 3.400 2.596 2.515 2.864 . 0 0 "[ . 1 . 2]" 3
46 1 46 ARG HA 1 46 ARG HB3 2.600 . 3.400 2.752 2.329 3.034 . 0 0 "[ . 1 . 2]" 3
47 1 46 ARG HA 1 46 ARG HB2 2.600 . 3.400 2.876 2.514 3.034 . 0 0 "[ . 1 . 2]" 3
48 1 48 PRO HA 1 48 PRO HB3 2.600 . 3.400 2.307 2.301 2.310 . 0 0 "[ . 1 . 2]" 3
49 1 49 ARG HA 1 49 ARG HB3 2.600 . 3.400 2.721 2.329 3.034 . 0 0 "[ . 1 . 2]" 3
50 1 51 GLU HA 1 51 GLU HB3 2.600 . 3.400 2.689 2.305 3.026 . 0 0 "[ . 1 . 2]" 3
51 1 51 GLU HA 1 51 GLU HB2 2.600 . 3.400 2.779 2.395 3.035 . 0 0 "[ . 1 . 2]" 3
52 1 55 ASP HA 1 55 ASP HB3 2.600 . 3.400 2.752 2.402 3.029 . 0 0 "[ . 1 . 2]" 3
53 1 56 ARG HA 1 56 ARG QB 3.500 . 5.000 2.398 2.266 2.546 . 0 0 "[ . 1 . 2]" 3
54 1 61 SER HA 1 61 SER HB2 2.600 . 3.400 2.783 2.351 3.028 . 0 0 "[ . 1 . 2]" 3
55 1 63 ASP HA 1 63 ASP HB3 2.600 . 3.400 2.440 2.320 2.607 . 0 0 "[ . 1 . 2]" 3
56 1 63 ASP HA 1 63 ASP HB2 2.600 . 3.400 3.024 2.996 3.036 . 0 0 "[ . 1 . 2]" 3
57 1 65 PRO HA 1 65 PRO HB2 2.600 . 3.400 2.737 2.733 2.741 . 0 0 "[ . 1 . 2]" 3
58 1 65 PRO HA 1 65 PRO HB3 2.600 . 3.400 2.305 2.299 2.309 . 0 0 "[ . 1 . 2]" 3
59 1 67 TYR HA 1 67 TYR QB 2.600 . 3.400 2.360 2.180 2.542 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 9
_Distance_constraint_stats_list.Viol_count 63
_Distance_constraint_stats_list.Viol_total 80.475
_Distance_constraint_stats_list.Viol_max 0.186
_Distance_constraint_stats_list.Viol_rms 0.0437
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0224
_Distance_constraint_stats_list.Viol_average_violations_only 0.0639
_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 13 CYS 0.084 0.042 9 0 "[ . 1 . 2]"
1 15 ASP 1.037 0.101 17 0 "[ . 1 . 2]"
1 20 LYS 1.037 0.101 17 0 "[ . 1 . 2]"
1 22 ARG 0.084 0.042 9 0 "[ . 1 . 2]"
1 32 CYS 0.027 0.027 20 0 "[ . 1 . 2]"
1 34 GLU 0.085 0.037 14 0 "[ . 1 . 2]"
1 37 LYS 0.085 0.037 14 0 "[ . 1 . 2]"
1 39 SER 0.027 0.027 20 0 "[ . 1 . 2]"
1 43 LYS 2.633 0.186 2 0 "[ . 1 . 2]"
1 45 CYS 0.158 0.049 5 0 "[ . 1 . 2]"
1 55 ASP 0.158 0.049 5 0 "[ . 1 . 2]"
1 57 CYS 2.633 0.186 2 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 13 CYS O 1 22 ARG H 2.000 . 2.500 2.433 2.291 2.542 0.042 9 0 "[ . 1 . 2]" 4
2 1 15 ASP H 1 20 LYS O 2.000 . 2.500 1.678 1.471 2.012 0.029 9 0 "[ . 1 . 2]" 4
3 1 15 ASP O 1 20 LYS H 2.000 . 2.500 2.548 2.473 2.601 0.101 17 0 "[ . 1 . 2]" 4
4 1 34 GLU H 1 37 LYS O 2.000 . 2.500 2.330 1.879 2.537 0.037 14 0 "[ . 1 . 2]" 4
5 1 34 GLU O 1 37 LYS H 2.000 . 2.500 2.239 1.936 2.522 0.022 11 0 "[ . 1 . 2]" 4
6 1 32 CYS O 1 39 SER H 2.000 . 2.500 2.099 1.645 2.527 0.027 20 0 "[ . 1 . 2]" 4
7 1 45 CYS H 1 55 ASP O 2.000 . 2.500 2.040 1.517 2.549 0.049 5 0 "[ . 1 . 2]" 4
8 1 43 LYS O 1 57 CYS H 2.000 . 2.500 1.619 1.480 1.848 0.020 7 0 "[ . 1 . 2]" 4
9 1 43 LYS H 1 57 CYS O 2.000 . 2.500 2.630 2.576 2.686 0.186 2 0 "[ . 1 . 2]" 4
stop_
save_
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