NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
449900 |
2pji   |
7400 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2pji
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 819
_Distance_constraint_stats_list.Viol_count 880
_Distance_constraint_stats_list.Viol_total 1125.522
_Distance_constraint_stats_list.Viol_max 0.528
_Distance_constraint_stats_list.Viol_rms 0.0225
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0640
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.392 0.217 14 0 "[ . 1 . 2]"
1 3 GLU 0.381 0.131 10 0 "[ . 1 . 2]"
1 4 CYS 8.630 0.465 18 0 "[ . 1 . 2]"
1 5 ASP 3.321 0.445 13 0 "[ . 1 . 2]"
1 6 CYS 1.664 0.101 18 0 "[ . 1 . 2]"
1 7 SER 0.522 0.072 14 0 "[ . 1 . 2]"
1 8 SER 0.199 0.056 6 0 "[ . 1 . 2]"
1 9 PRO 0.019 0.014 9 0 "[ . 1 . 2]"
1 10 GLU 0.326 0.117 17 0 "[ . 1 . 2]"
1 11 ASN 0.661 0.117 17 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 2.348 0.139 14 0 "[ . 1 . 2]"
1 14 CYS 2.540 0.266 16 0 "[ . 1 . 2]"
1 15 ASP 0.913 0.101 16 0 "[ . 1 . 2]"
1 16 ALA 0.019 0.014 9 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 THR 0.104 0.072 5 0 "[ . 1 . 2]"
1 19 CYS 7.723 0.465 18 0 "[ . 1 . 2]"
1 20 LYS 3.017 0.225 5 0 "[ . 1 . 2]"
1 21 LEU 7.893 0.445 13 0 "[ . 1 . 2]"
1 22 ARG 0.139 0.048 6 0 "[ . 1 . 2]"
1 23 PRO 0.020 0.013 11 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 2.689 0.264 3 0 "[ . 1 . 2]"
1 26 GLN 2.168 0.264 3 0 "[ . 1 . 2]"
1 27 CYS 4.697 0.280 4 0 "[ . 1 . 2]"
1 28 GLY 3.923 0.269 16 0 "[ . 1 . 2]"
1 29 GLU 4.544 0.317 6 0 "[ . 1 . 2]"
1 30 GLY 0.945 0.317 6 0 "[ . 1 . 2]"
1 31 LEU 2.840 0.472 10 0 "[ . 1 . 2]"
1 32 CYS 0.748 0.472 10 0 "[ . 1 . 2]"
1 33 CYS 1.469 0.181 3 0 "[ . 1 . 2]"
1 34 GLU 1.313 0.118 8 0 "[ . 1 . 2]"
1 35 GLN 1.181 0.118 8 0 "[ . 1 . 2]"
1 36 CYS 2.142 0.173 3 0 "[ . 1 . 2]"
1 37 LYS 2.020 0.447 18 0 "[ . 1 . 2]"
1 38 PHE 2.987 0.447 18 0 "[ . 1 . 2]"
1 39 SER 1.666 0.115 9 0 "[ . 1 . 2]"
1 40 ARG 0.989 0.132 3 0 "[ . 1 . 2]"
1 41 ALA 0.948 0.101 17 0 "[ . 1 . 2]"
1 42 GLY 0.169 0.072 6 0 "[ . 1 . 2]"
1 43 LYS 2.591 0.172 8 0 "[ . 1 . 2]"
1 44 ILE 1.114 0.101 9 0 "[ . 1 . 2]"
1 45 CYS 3.533 0.172 18 0 "[ . 1 . 2]"
1 46 ARG 3.714 0.391 8 0 "[ . 1 . 2]"
1 47 ILE 0.939 0.372 10 0 "[ . 1 . 2]"
1 48 ALA 2.336 0.528 4 1 "[ +. 1 . 2]"
1 49 ARG 1.098 0.372 10 0 "[ . 1 . 2]"
1 50 GLY 0.245 0.135 7 0 "[ . 1 . 2]"
1 51 ASP 0.211 0.086 7 0 "[ . 1 . 2]"
1 52 MET 2.435 0.528 4 1 "[ +. 1 . 2]"
1 53 PRO 0.028 0.012 18 0 "[ . 1 . 2]"
1 54 ASP 0.327 0.083 4 0 "[ . 1 . 2]"
1 55 ASP 0.924 0.391 8 0 "[ . 1 . 2]"
1 56 ARG 0.641 0.123 20 0 "[ . 1 . 2]"
1 57 CYS 3.192 0.134 16 0 "[ . 1 . 2]"
1 58 THR 2.271 0.516 17 1 "[ . 1 . + 2]"
1 59 GLY 0.100 0.100 17 0 "[ . 1 . 2]"
1 60 GLN 0.115 0.075 17 0 "[ . 1 . 2]"
1 61 SER 3.070 0.516 17 1 "[ . 1 . + 2]"
1 62 ALA 0.235 0.038 14 0 "[ . 1 . 2]"
1 63 ASP 0.709 0.052 5 0 "[ . 1 . 2]"
1 64 CYS 2.058 0.172 18 0 "[ . 1 . 2]"
1 65 PRO 1.203 0.290 3 0 "[ . 1 . 2]"
1 66 ARG 0.735 0.300 16 0 "[ . 1 . 2]"
1 67 TYR 0.143 0.059 3 0 "[ . 1 . 2]"
1 68 HIS 0.318 0.300 16 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 3.842 2.425 4.654 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU H 1 4 CYS H 3.500 . 5.000 2.274 1.991 2.959 0.009 7 0 "[ . 1 . 2]" 1
3 1 4 CYS H 1 5 ASP H 3.500 . 5.000 4.322 3.726 4.522 . 0 0 "[ . 1 . 2]" 1
4 1 5 ASP H 1 6 CYS H 3.500 . 5.000 2.191 1.939 2.694 0.061 6 0 "[ . 1 . 2]" 1
5 1 6 CYS H 1 7 SER H 4.200 2.400 6.000 4.432 3.815 4.540 . 0 0 "[ . 1 . 2]" 1
6 1 7 SER H 1 8 SER H 3.500 . 5.000 2.293 1.978 2.798 0.022 20 0 "[ . 1 . 2]" 1
7 1 10 GLU H 1 11 ASN H 2.600 . 3.400 2.461 1.814 3.109 . 0 0 "[ . 1 . 2]" 1
8 1 13 CYS H 1 14 CYS H 3.500 . 5.000 2.492 2.053 3.016 . 0 0 "[ . 1 . 2]" 1
9 1 14 CYS H 1 15 ASP H 4.200 2.400 6.000 4.363 4.186 4.577 . 0 0 "[ . 1 . 2]" 1
10 1 15 ASP H 1 16 ALA H 3.500 . 5.000 4.311 3.926 4.579 . 0 0 "[ . 1 . 2]" 1
11 1 16 ALA H 1 17 ALA H 3.500 . 5.000 2.648 2.458 2.831 . 0 0 "[ . 1 . 2]" 1
12 1 17 ALA H 1 18 THR H 2.600 . 3.400 2.837 2.584 3.111 . 0 0 "[ . 1 . 2]" 1
13 1 18 THR H 1 19 CYS H 2.600 . 3.400 2.160 1.867 2.727 . 0 0 "[ . 1 . 2]" 1
14 1 19 CYS H 1 20 LYS H 3.500 . 5.000 2.720 2.550 2.963 . 0 0 "[ . 1 . 2]" 1
15 1 20 LYS H 1 21 LEU H 4.200 2.400 6.000 4.434 3.603 4.567 . 0 0 "[ . 1 . 2]" 1
16 1 21 LEU H 1 22 ARG H 3.700 . 5.500 4.590 4.404 4.668 . 0 0 "[ . 1 . 2]" 1
17 1 24 GLY H 1 25 ALA H 3.500 . 5.000 2.709 2.211 3.643 . 0 0 "[ . 1 . 2]" 1
18 1 25 ALA H 1 26 GLN H 3.500 . 5.000 4.588 4.389 4.686 . 0 0 "[ . 1 . 2]" 1
19 1 26 GLN H 1 27 CYS H 2.600 . 3.400 2.324 1.865 2.589 . 0 0 "[ . 1 . 2]" 1
20 1 27 CYS H 1 28 GLY H 4.200 2.400 6.000 4.321 4.057 4.414 . 0 0 "[ . 1 . 2]" 1
21 1 28 GLY H 1 29 GLU H 2.600 . 3.400 2.191 1.915 2.574 . 0 0 "[ . 1 . 2]" 1
22 1 29 GLU H 1 30 GLY H 4.200 2.400 6.000 4.387 4.320 4.435 . 0 0 "[ . 1 . 2]" 1
23 1 30 GLY H 1 31 LEU H 4.200 2.400 6.000 4.277 4.041 4.502 . 0 0 "[ . 1 . 2]" 1
24 1 31 LEU H 1 32 CYS H 3.500 . 5.000 2.614 2.136 2.819 . 0 0 "[ . 1 . 2]" 1
25 1 32 CYS H 1 33 CYS H 3.500 . 5.000 3.001 2.178 3.445 . 0 0 "[ . 1 . 2]" 1
26 1 33 CYS H 1 34 GLU H 4.200 2.400 6.000 4.032 3.756 4.292 . 0 0 "[ . 1 . 2]" 1
27 1 34 GLU H 1 35 GLN H 4.200 2.400 6.000 4.416 4.290 4.491 . 0 0 "[ . 1 . 2]" 1
28 1 35 GLN H 1 36 CYS H 3.500 . 5.000 2.605 2.395 2.793 . 0 0 "[ . 1 . 2]" 1
29 1 36 CYS H 1 37 LYS H 3.500 . 5.000 2.630 2.505 2.699 . 0 0 "[ . 1 . 2]" 1
30 1 37 LYS H 1 38 PHE H 4.200 2.400 6.000 4.495 4.396 4.568 . 0 0 "[ . 1 . 2]" 1
31 1 38 PHE H 1 39 SER H 4.200 2.400 6.000 4.600 4.576 4.619 . 0 0 "[ . 1 . 2]" 1
32 1 39 SER H 1 40 ARG H 4.200 2.400 6.000 4.311 3.524 4.668 . 0 0 "[ . 1 . 2]" 1
33 1 42 GLY H 1 43 LYS H 3.500 . 5.000 2.433 2.024 2.545 . 0 0 "[ . 1 . 2]" 1
34 1 43 LYS H 1 44 ILE H 4.200 2.400 6.000 4.459 4.370 4.559 . 0 0 "[ . 1 . 2]" 1
35 1 44 ILE H 1 45 CYS H 4.200 2.400 6.000 4.130 3.833 4.303 . 0 0 "[ . 1 . 2]" 1
36 1 45 CYS H 1 46 ARG H 3.500 . 5.000 2.334 2.069 2.450 . 0 0 "[ . 1 . 2]" 1
37 1 46 ARG H 1 47 ILE H 3.500 . 5.000 4.297 4.025 4.471 . 0 0 "[ . 1 . 2]" 1
38 1 47 ILE H 1 48 ALA H 4.200 2.400 6.000 4.363 3.516 4.634 . 0 0 "[ . 1 . 2]" 1
39 1 48 ALA H 1 49 ARG H 4.200 2.400 6.000 4.169 2.536 4.652 . 0 0 "[ . 1 . 2]" 1
40 1 49 ARG H 1 50 GLY H 4.200 2.400 6.000 3.985 2.376 4.679 0.024 7 0 "[ . 1 . 2]" 1
41 1 50 GLY H 1 51 ASP H 4.200 2.400 6.000 4.287 3.387 4.627 . 0 0 "[ . 1 . 2]" 1
42 1 51 ASP H 1 52 MET H 4.200 2.400 6.000 2.987 2.470 3.730 . 0 0 "[ . 1 . 2]" 1
43 1 54 ASP H 1 55 ASP H 3.500 . 5.000 4.493 4.324 4.614 . 0 0 "[ . 1 . 2]" 1
44 1 56 ARG H 1 57 CYS H 4.200 2.400 6.000 4.443 4.357 4.566 . 0 0 "[ . 1 . 2]" 1
45 1 57 CYS H 1 58 THR H 4.200 2.400 6.000 4.678 4.662 4.692 . 0 0 "[ . 1 . 2]" 1
46 1 58 THR H 1 59 GLY H 3.500 . 5.000 2.493 2.214 2.840 . 0 0 "[ . 1 . 2]" 1
47 1 59 GLY H 1 60 GLN H 3.500 . 5.000 3.045 2.629 3.662 . 0 0 "[ . 1 . 2]" 1
48 1 60 GLN H 1 61 SER H 2.600 . 3.400 2.217 1.844 2.737 . 0 0 "[ . 1 . 2]" 1
49 1 61 SER H 1 62 ALA H 4.200 2.400 6.000 4.475 4.222 4.642 . 0 0 "[ . 1 . 2]" 1
50 1 62 ALA H 1 63 ASP H 3.500 . 5.000 2.472 2.061 2.950 . 0 0 "[ . 1 . 2]" 1
51 1 63 ASP H 1 64 CYS H 4.200 2.400 6.000 4.533 4.472 4.609 . 0 0 "[ . 1 . 2]" 1
52 1 66 ARG H 1 67 TYR H 3.500 . 5.000 4.063 2.458 4.544 . 0 0 "[ . 1 . 2]" 1
53 1 67 TYR H 1 68 HIS H 3.500 . 5.000 2.850 1.992 4.073 0.008 7 0 "[ . 1 . 2]" 1
54 1 2 LYS HA 1 3 GLU H 2.600 . 3.400 2.693 2.192 3.477 0.077 9 0 "[ . 1 . 2]" 1
55 1 3 GLU HA 1 4 CYS H 2.600 . 3.400 3.208 2.748 3.531 0.131 10 0 "[ . 1 . 2]" 1
56 1 4 CYS HA 1 5 ASP H 2.600 . 3.400 2.228 2.182 2.358 . 0 0 "[ . 1 . 2]" 1
57 1 6 CYS HA 1 7 SER H 3.500 . 5.000 2.495 2.186 2.811 . 0 0 "[ . 1 . 2]" 1
58 1 7 SER HA 1 8 SER H 3.500 . 5.000 3.317 2.714 3.572 . 0 0 "[ . 1 . 2]" 1
59 1 9 PRO HA 1 10 GLU H 3.500 . 5.000 3.367 2.896 3.556 . 0 0 "[ . 1 . 2]" 1
60 1 10 GLU HA 1 11 ASN H 3.500 . 5.000 3.115 2.819 3.337 . 0 0 "[ . 1 . 2]" 1
61 1 12 PRO HA 1 13 CYS H 3.500 . 5.000 3.412 3.275 3.571 . 0 0 "[ . 1 . 2]" 1
62 1 13 CYS HA 1 14 CYS H 3.500 . 5.000 3.248 2.959 3.401 . 0 0 "[ . 1 . 2]" 1
63 1 14 CYS HA 1 15 ASP H 2.600 . 3.400 2.257 2.147 2.464 . 0 0 "[ . 1 . 2]" 1
64 1 15 ASP HA 1 16 ALA H 2.600 . 3.400 2.218 2.191 2.292 . 0 0 "[ . 1 . 2]" 1
65 1 16 ALA HA 1 17 ALA H 3.500 . 5.000 3.509 3.462 3.559 . 0 0 "[ . 1 . 2]" 1
66 1 19 CYS HA 1 20 LYS H 3.500 . 5.000 3.162 2.894 3.310 . 0 0 "[ . 1 . 2]" 1
67 1 20 LYS HA 1 21 LEU H 2.600 . 3.400 2.674 2.422 3.400 . 0 0 "[ . 1 . 2]" 1
68 1 21 LEU HA 1 22 ARG H 3.500 . 5.000 2.342 2.194 2.626 . 0 0 "[ . 1 . 2]" 1
69 1 23 PRO HA 1 24 GLY H 2.600 . 3.400 2.910 2.476 3.392 . 0 0 "[ . 1 . 2]" 1
70 1 25 ALA HA 1 26 GLN H 2.600 . 3.400 2.338 2.101 2.581 . 0 0 "[ . 1 . 2]" 1
71 1 26 GLN HA 1 27 CYS H 3.500 . 5.000 3.471 3.374 3.526 . 0 0 "[ . 1 . 2]" 1
72 1 27 CYS HA 1 28 GLY H 2.600 . 3.400 2.319 2.195 2.527 . 0 0 "[ . 1 . 2]" 1
73 1 29 GLU HA 1 30 GLY H 2.600 . 3.400 2.373 2.261 2.797 . 0 0 "[ . 1 . 2]" 1
74 1 31 LEU HA 1 32 CYS H 3.500 . 5.000 3.509 3.381 3.571 . 0 0 "[ . 1 . 2]" 1
75 1 32 CYS HA 1 33 CYS H 3.500 . 5.000 2.805 2.511 3.232 . 0 0 "[ . 1 . 2]" 1
76 1 33 CYS HA 1 34 GLU H 2.600 . 3.400 2.236 2.179 2.309 . 0 0 "[ . 1 . 2]" 1
77 1 34 GLU HA 1 35 GLN H 2.600 . 3.400 2.200 2.181 2.221 . 0 0 "[ . 1 . 2]" 1
78 1 35 GLN HA 1 36 CYS H 3.500 . 5.000 2.906 2.740 3.031 . 0 0 "[ . 1 . 2]" 1
79 1 36 CYS HA 1 37 LYS H 3.500 . 5.000 3.040 2.846 3.225 . 0 0 "[ . 1 . 2]" 1
80 1 37 LYS HA 1 38 PHE H 2.600 . 3.400 2.366 2.274 2.439 . 0 0 "[ . 1 . 2]" 1
81 1 38 PHE HA 1 39 SER H 2.600 . 3.400 2.207 2.190 2.223 . 0 0 "[ . 1 . 2]" 1
82 1 39 SER HA 1 40 ARG H 2.600 . 3.400 2.932 2.500 3.472 0.072 9 0 "[ . 1 . 2]" 1
83 1 40 ARG HA 1 41 ALA H 3.500 . 5.000 2.449 2.354 2.674 . 0 0 "[ . 1 . 2]" 1
84 1 41 ALA HA 1 42 GLY H 2.600 . 3.400 2.327 2.185 2.453 . 0 0 "[ . 1 . 2]" 1
85 1 43 LYS HA 1 44 ILE H 3.500 . 5.000 2.200 2.178 2.247 . 0 0 "[ . 1 . 2]" 1
86 1 44 ILE HA 1 45 CYS H 2.600 . 3.400 2.311 2.224 2.486 . 0 0 "[ . 1 . 2]" 1
87 1 45 CYS HA 1 46 ARG H 3.500 . 5.000 3.489 3.412 3.536 . 0 0 "[ . 1 . 2]" 1
88 1 46 ARG HA 1 47 ILE H 3.500 . 5.000 2.258 2.172 2.805 . 0 0 "[ . 1 . 2]" 1
89 1 47 ILE HA 1 48 ALA H 2.600 . 3.400 2.334 2.191 2.630 . 0 0 "[ . 1 . 2]" 1
90 1 48 ALA HA 1 49 ARG H 2.600 . 3.400 2.335 2.186 3.006 . 0 0 "[ . 1 . 2]" 1
91 1 49 ARG HA 1 50 GLY H 2.600 . 3.400 2.476 2.193 3.535 0.135 7 0 "[ . 1 . 2]" 1
92 1 51 ASP HA 1 52 MET H 2.600 . 3.400 2.986 2.443 3.482 0.082 7 0 "[ . 1 . 2]" 1
93 1 54 ASP HA 1 55 ASP H 2.600 . 3.400 2.534 2.211 2.814 . 0 0 "[ . 1 . 2]" 1
94 1 55 ASP HA 1 56 ARG H 2.600 . 3.400 2.238 2.200 2.302 . 0 0 "[ . 1 . 2]" 1
95 1 56 ARG HA 1 57 CYS H 2.600 . 3.400 2.231 2.186 2.293 . 0 0 "[ . 1 . 2]" 1
96 1 57 CYS HA 1 58 THR H 2.600 . 3.400 2.355 2.270 2.474 . 0 0 "[ . 1 . 2]" 1
97 1 60 GLN HA 1 61 SER H 3.500 . 5.000 3.341 3.156 3.437 . 0 0 "[ . 1 . 2]" 1
98 1 61 SER HA 1 62 ALA H 3.500 . 5.000 2.258 2.188 2.509 . 0 0 "[ . 1 . 2]" 1
99 1 63 ASP HA 1 64 CYS H 2.600 . 3.400 2.640 2.399 2.747 . 0 0 "[ . 1 . 2]" 1
100 1 67 TYR HA 1 68 HIS H 3.500 . 5.000 3.024 2.309 3.589 . 0 0 "[ . 1 . 2]" 1
101 1 24 GLY HA2 1 25 ALA H 3.500 . 5.000 3.090 2.588 3.503 . 0 0 "[ . 1 . 2]" 1
102 1 28 GLY HA2 1 29 GLU H 3.500 . 5.000 3.513 3.468 3.547 . 0 0 "[ . 1 . 2]" 1
103 1 30 GLY HA2 1 31 LEU H 2.600 . 3.400 2.406 2.228 2.794 . 0 0 "[ . 1 . 2]" 1
104 1 42 GLY HA2 1 43 LYS H 3.500 . 5.000 2.986 2.767 3.200 . 0 0 "[ . 1 . 2]" 1
105 1 24 GLY HA3 1 25 ALA H 3.500 . 5.000 3.413 2.959 3.580 . 0 0 "[ . 1 . 2]" 1
106 1 28 GLY HA3 1 29 GLU H 3.500 . 5.000 2.867 2.701 3.002 . 0 0 "[ . 1 . 2]" 1
107 1 30 GLY HA3 1 31 LEU H 2.600 . 3.400 2.853 2.426 3.138 . 0 0 "[ . 1 . 2]" 1
108 1 1 GLY QA 1 2 LYS H 2.600 . 3.400 2.386 2.166 2.651 . 0 0 "[ . 1 . 2]" 1
109 1 50 GLY HA3 1 51 ASP H 2.600 . 3.400 2.287 2.193 2.455 . 0 0 "[ . 1 . 2]" 1
110 1 50 GLY HA2 1 51 ASP H 2.600 . 3.400 3.070 2.786 3.486 0.086 7 0 "[ . 1 . 2]" 1
111 1 42 GLY HA3 1 43 LYS H 3.500 . 5.000 3.499 3.365 3.567 . 0 0 "[ . 1 . 2]" 1
112 1 5 ASP H 1 20 LYS H 4.200 2.400 6.000 4.111 3.990 4.383 . 0 0 "[ . 1 . 2]" 1
113 1 5 ASP H 1 21 LEU H 4.200 2.400 6.000 4.110 3.564 4.867 . 0 0 "[ . 1 . 2]" 1
114 1 6 CYS H 1 21 LEU H 4.200 2.400 6.000 5.132 4.454 6.045 0.045 6 0 "[ . 1 . 2]" 1
115 1 15 ASP H 1 22 ARG H 3.500 . 5.000 3.825 3.015 4.649 . 0 0 "[ . 1 . 2]" 1
116 1 15 ASP H 1 20 LYS H 4.200 2.400 6.000 3.550 2.756 4.073 . 0 0 "[ . 1 . 2]" 1
117 1 14 CYS H 1 22 ARG H 4.200 2.400 6.000 4.116 3.198 5.370 . 0 0 "[ . 1 . 2]" 1
118 1 26 GLN H 1 38 PHE H 4.200 2.400 6.000 4.034 3.837 4.552 . 0 0 "[ . 1 . 2]" 1
119 1 27 CYS H 1 36 CYS H 4.200 2.400 6.000 5.767 5.467 5.958 . 0 0 "[ . 1 . 2]" 1
120 1 27 CYS H 1 38 PHE H 4.200 2.400 6.000 4.524 4.216 5.068 . 0 0 "[ . 1 . 2]" 1
121 1 33 CYS H 1 39 SER H 4.200 2.400 6.000 4.821 4.496 5.314 . 0 0 "[ . 1 . 2]" 1
122 1 34 GLU H 1 39 SER H 4.200 2.400 6.000 3.730 3.213 4.111 . 0 0 "[ . 1 . 2]" 1
123 1 26 GLN H 1 37 LYS H 4.200 2.400 6.000 4.807 4.433 5.580 . 0 0 "[ . 1 . 2]" 1
124 1 42 GLY H 1 57 CYS H 4.200 2.400 6.000 4.167 3.571 4.444 . 0 0 "[ . 1 . 2]" 1
125 1 43 LYS H 1 56 ARG H 4.200 2.400 6.000 5.968 5.593 6.123 0.123 20 0 "[ . 1 . 2]" 1
126 1 43 LYS H 1 57 CYS H 3.500 . 5.000 2.568 1.993 3.181 0.007 18 0 "[ . 1 . 2]" 1
127 1 48 ALA H 1 55 ASP H 4.200 2.400 6.000 4.317 3.413 5.499 . 0 0 "[ . 1 . 2]" 1
128 1 46 ARG H 1 57 CYS H 3.500 . 5.000 5.081 5.008 5.134 0.134 16 0 "[ . 1 . 2]" 1
129 1 48 ALA H 1 54 ASP HA 3.500 . 5.000 2.799 2.136 3.941 . 0 0 "[ . 1 . 2]" 1
130 1 48 ALA H 1 54 ASP HB3 4.200 2.400 6.000 3.389 2.644 4.372 . 0 0 "[ . 1 . 2]" 1
131 1 48 ALA H 1 54 ASP HB2 4.200 2.400 6.000 4.731 4.217 5.878 . 0 0 "[ . 1 . 2]" 1
132 1 46 ARG H 1 55 ASP H 4.200 2.400 6.000 3.519 3.065 4.340 . 0 0 "[ . 1 . 2]" 1
133 1 7 SER H 1 29 GLU HG2 4.200 2.400 6.000 3.182 2.389 5.422 0.011 2 0 "[ . 1 . 2]" 1
134 1 26 GLN HG2 1 38 PHE H 3.500 . 5.000 3.759 2.163 4.215 . 0 0 "[ . 1 . 2]" 1
135 1 26 GLN HG3 1 38 PHE H 3.500 . 5.000 4.407 2.184 5.050 0.050 18 0 "[ . 1 . 2]" 1
136 1 58 THR H 1 65 PRO QG 4.100 2.300 7.000 5.232 4.575 5.602 . 0 0 "[ . 1 . 2]" 1
137 1 13 CYS H 1 25 ALA MB 4.100 2.300 7.000 5.870 5.456 5.936 . 0 0 "[ . 1 . 2]" 1
138 1 21 LEU HG 1 27 CYS H 3.500 . 5.000 5.043 4.959 5.130 0.130 4 0 "[ . 1 . 2]" 1
139 1 21 LEU HG 1 28 GLY H 4.200 2.400 6.000 3.360 2.411 4.101 . 0 0 "[ . 1 . 2]" 1
140 1 21 LEU HG 1 29 GLU H 4.200 2.400 6.000 5.364 4.759 5.992 . 0 0 "[ . 1 . 2]" 1
141 1 6 CYS H 1 21 LEU MD2 4.100 2.300 7.000 5.777 5.684 5.835 . 0 0 "[ . 1 . 2]" 1
142 1 13 CYS H 1 21 LEU MD2 4.100 2.300 7.000 5.265 4.512 5.693 . 0 0 "[ . 1 . 2]" 1
143 1 14 CYS H 1 21 LEU MD2 4.100 2.300 7.000 4.847 4.397 5.373 . 0 0 "[ . 1 . 2]" 1
144 1 15 ASP H 1 21 LEU MD2 4.100 2.300 7.000 5.360 4.907 5.862 . 0 0 "[ . 1 . 2]" 1
145 1 21 LEU MD2 1 27 CYS H 3.400 . 6.000 2.578 2.242 3.216 . 0 0 "[ . 1 . 2]" 1
146 1 21 LEU MD2 1 29 GLU H 3.400 . 6.000 4.350 3.845 4.821 . 0 0 "[ . 1 . 2]" 1
147 1 44 ILE H 1 56 ARG HD2 4.200 2.400 6.000 5.139 3.912 5.892 . 0 0 "[ . 1 . 2]" 1
148 1 21 LEU MD1 1 27 CYS H 3.400 . 6.000 3.197 2.502 4.316 . 0 0 "[ . 1 . 2]" 1
149 1 21 LEU MD1 1 28 GLY H 3.400 . 6.000 3.142 1.902 3.805 . 0 0 "[ . 1 . 2]" 1
150 1 21 LEU MD1 1 29 GLU H 4.100 2.300 7.000 4.943 3.438 5.618 . 0 0 "[ . 1 . 2]" 1
151 1 44 ILE MD 1 57 CYS H 4.100 2.300 7.000 5.104 4.790 5.299 . 0 0 "[ . 1 . 2]" 1
152 1 44 ILE MG 1 57 CYS H 4.100 2.300 7.000 5.456 5.280 5.679 . 0 0 "[ . 1 . 2]" 1
153 1 58 THR H 1 65 PRO HD3 4.200 2.400 6.000 5.255 4.485 5.603 . 0 0 "[ . 1 . 2]" 1
154 1 31 LEU QD 1 46 ARG H 4.100 2.300 7.000 4.613 4.026 5.210 . 0 0 "[ . 1 . 2]" 1
155 1 44 ILE MD 1 54 ASP H 4.100 2.300 7.000 4.758 4.405 5.063 . 0 0 "[ . 1 . 2]" 1
156 1 27 CYS HB3 1 62 ALA H 4.200 2.400 6.000 5.194 4.700 5.741 . 0 0 "[ . 1 . 2]" 1
157 1 27 CYS HB2 1 62 ALA H 4.200 2.400 6.000 5.023 4.351 5.924 . 0 0 "[ . 1 . 2]" 1
158 1 31 LEU QD 1 64 CYS H 2.300 . 7.400 3.349 1.686 4.095 0.114 10 0 "[ . 1 . 2]" 1
159 1 5 ASP H 1 19 CYS HB2 4.200 2.400 6.000 4.851 3.609 5.922 . 0 0 "[ . 1 . 2]" 1
160 1 5 ASP H 1 20 LYS HB2 3.500 . 5.000 4.618 4.206 4.824 . 0 0 "[ . 1 . 2]" 1
161 1 6 CYS H 1 19 CYS HB2 4.200 2.400 6.000 5.404 3.628 6.101 0.101 18 0 "[ . 1 . 2]" 1
162 1 14 CYS HB2 1 22 ARG H 4.200 2.400 6.000 4.811 4.051 5.608 . 0 0 "[ . 1 . 2]" 1
163 1 25 ALA H 1 36 CYS HB2 4.200 2.400 6.000 5.809 4.927 6.062 0.062 16 0 "[ . 1 . 2]" 1
164 1 26 GLN H 1 36 CYS HB2 4.200 2.400 6.000 5.068 4.190 5.650 . 0 0 "[ . 1 . 2]" 1
165 1 26 GLN H 1 38 PHE HB2 4.200 2.400 6.000 6.035 5.963 6.090 0.090 13 0 "[ . 1 . 2]" 1
166 1 13 CYS HB2 1 28 GLY H 4.200 2.400 6.000 5.590 4.602 6.059 0.059 6 0 "[ . 1 . 2]" 1
167 1 31 LEU H 1 45 CYS HB2 4.200 2.400 6.000 5.433 5.186 5.701 . 0 0 "[ . 1 . 2]" 1
168 1 31 LEU H 1 63 ASP HB2 4.200 2.400 6.000 4.871 4.611 5.175 . 0 0 "[ . 1 . 2]" 1
169 1 31 LEU H 1 64 CYS HB2 3.500 . 5.000 4.700 4.267 4.962 . 0 0 "[ . 1 . 2]" 1
170 1 32 CYS H 1 64 CYS HB2 4.700 2.900 6.500 4.622 4.223 4.995 . 0 0 "[ . 1 . 2]" 1
171 1 26 GLN HB2 1 38 PHE H 3.500 . 5.000 2.691 2.017 4.587 . 0 0 "[ . 1 . 2]" 1
172 1 32 CYS HB2 1 39 SER H 4.200 2.400 6.000 4.047 3.494 4.659 . 0 0 "[ . 1 . 2]" 1
173 1 33 CYS HB2 1 39 SER H 4.200 2.400 6.000 5.621 4.667 6.048 0.048 9 0 "[ . 1 . 2]" 1
174 1 41 ALA H 1 57 CYS HB2 4.200 2.400 6.000 6.030 5.834 6.101 0.101 17 0 "[ . 1 . 2]" 1
175 1 42 GLY H 1 56 ARG QB 3.400 . 6.000 3.246 2.775 4.103 . 0 0 "[ . 1 . 2]" 1
176 1 43 LYS H 1 57 CYS HB2 3.500 . 5.000 2.621 2.127 3.250 . 0 0 "[ . 1 . 2]" 1
177 1 45 CYS H 1 56 ARG QB 3.400 . 6.000 4.458 4.087 4.779 . 0 0 "[ . 1 . 2]" 1
178 1 38 PHE HB2 1 61 SER H 4.200 2.400 6.000 6.028 5.785 6.068 0.068 6 0 "[ . 1 . 2]" 1
179 1 31 LEU HB2 1 64 CYS H 4.200 2.400 6.000 3.101 2.410 5.157 . 0 0 "[ . 1 . 2]" 1
180 1 66 ARG HB2 1 67 TYR H 3.500 . 5.000 2.756 1.941 3.952 0.059 3 0 "[ . 1 . 2]" 1
181 1 5 ASP H 1 19 CYS HB3 4.200 2.400 6.000 4.352 3.603 5.677 . 0 0 "[ . 1 . 2]" 1
182 1 5 ASP H 1 20 LYS HB3 4.200 2.400 6.000 4.221 3.421 4.619 . 0 0 "[ . 1 . 2]" 1
183 1 6 CYS H 1 19 CYS HB3 4.200 2.400 6.000 5.207 4.721 6.047 0.047 6 0 "[ . 1 . 2]" 1
184 1 7 SER H 1 29 GLU HB3 4.200 2.400 6.000 3.932 2.362 5.507 0.038 14 0 "[ . 1 . 2]" 1
185 1 14 CYS HB3 1 22 ARG H 4.200 2.400 6.000 4.838 3.940 6.048 0.048 6 0 "[ . 1 . 2]" 1
186 1 25 ALA H 1 36 CYS HB3 4.200 2.400 6.000 4.907 4.476 5.871 . 0 0 "[ . 1 . 2]" 1
187 1 26 GLN H 1 36 CYS HB3 4.200 2.400 6.000 4.105 3.114 4.510 . 0 0 "[ . 1 . 2]" 1
188 1 27 CYS H 1 36 CYS HB3 3.500 . 5.000 3.599 3.112 4.076 . 0 0 "[ . 1 . 2]" 1
189 1 31 LEU H 1 45 CYS HB3 4.200 2.400 6.000 5.922 5.721 6.072 0.072 17 0 "[ . 1 . 2]" 1
190 1 31 LEU H 1 63 ASP HB3 4.200 2.400 6.000 3.883 3.333 4.221 . 0 0 "[ . 1 . 2]" 1
191 1 31 LEU H 1 64 CYS HB3 4.200 2.400 6.000 4.929 4.569 5.370 . 0 0 "[ . 1 . 2]" 1
192 1 32 CYS H 1 64 CYS HB3 4.200 2.400 6.000 5.686 5.134 6.031 0.031 14 0 "[ . 1 . 2]" 1
193 1 33 CYS H 1 62 ALA MB 3.400 . 6.000 4.645 3.722 4.919 . 0 0 "[ . 1 . 2]" 1
194 1 26 GLN HB3 1 37 LYS H 4.200 2.400 6.000 5.814 5.069 6.083 0.083 3 0 "[ . 1 . 2]" 1
195 1 43 LYS H 1 57 CYS HB3 3.500 . 5.000 3.998 2.775 4.526 . 0 0 "[ . 1 . 2]" 1
196 1 45 CYS H 1 56 ARG QG 3.400 . 6.000 4.086 3.450 4.886 . 0 0 "[ . 1 . 2]" 1
197 1 38 PHE HB3 1 61 SER H 4.200 2.400 6.000 4.480 4.263 4.698 . 0 0 "[ . 1 . 2]" 1
198 1 31 LEU HB3 1 64 CYS H 3.500 . 5.000 4.484 3.851 4.769 . 0 0 "[ . 1 . 2]" 1
199 1 15 ASP H 1 21 LEU QB 4.100 2.300 7.000 4.864 4.387 5.426 . 0 0 "[ . 1 . 2]" 1
200 1 5 ASP QB 1 20 LYS H 4.100 2.300 7.000 4.511 4.283 5.028 . 0 0 "[ . 1 . 2]" 1
201 1 14 CYS QB 1 20 LYS H 4.100 2.300 7.000 4.852 3.722 6.278 . 0 0 "[ . 1 . 2]" 1
202 1 15 ASP QB 1 20 LYS H 3.400 . 6.000 2.973 2.445 3.386 . 0 0 "[ . 1 . 2]" 1
203 1 5 ASP QB 1 21 LEU H 3.400 . 6.000 2.170 1.756 3.269 0.044 17 0 "[ . 1 . 2]" 1
204 1 21 LEU QB 1 27 CYS H 4.100 2.300 7.000 5.044 4.478 5.462 . 0 0 "[ . 1 . 2]" 1
205 1 28 GLY H 1 62 ALA MB 3.400 . 6.000 4.475 3.770 4.974 . 0 0 "[ . 1 . 2]" 1
206 1 29 GLU H 1 62 ALA MB 3.400 . 6.000 4.194 3.736 4.561 . 0 0 "[ . 1 . 2]" 1
207 1 46 ARG H 1 54 ASP HB3 4.100 2.300 7.000 5.089 4.480 6.108 . 0 0 "[ . 1 . 2]" 1
208 1 46 ARG H 1 54 ASP HB2 4.100 2.300 7.000 5.843 4.759 6.499 . 0 0 "[ . 1 . 2]" 1
209 1 46 ARG H 1 55 ASP HB2 3.400 . 6.000 3.335 1.994 4.688 . 0 0 "[ . 1 . 2]" 1
210 1 48 ALA MB 1 54 ASP H 3.400 . 6.000 4.148 2.671 4.805 . 0 0 "[ . 1 . 2]" 1
211 1 44 ILE HB 1 57 CYS H 4.200 2.400 6.000 5.977 5.839 6.063 0.063 19 0 "[ . 1 . 2]" 1
212 1 45 CYS HB3 1 57 CYS H 4.200 2.400 6.000 3.659 3.220 3.902 . 0 0 "[ . 1 . 2]" 1
213 1 45 CYS HB2 1 57 CYS H 4.200 2.400 6.000 5.142 4.797 5.404 . 0 0 "[ . 1 . 2]" 1
214 1 41 ALA MB 1 59 GLY H 3.400 . 6.000 3.714 3.464 4.194 . 0 0 "[ . 1 . 2]" 1
215 1 41 ALA MB 1 60 GLN H 4.100 2.300 7.000 4.168 3.839 4.611 . 0 0 "[ . 1 . 2]" 1
216 1 13 CYS H 1 28 GLY HA2 4.200 2.400 6.000 4.853 4.328 5.150 . 0 0 "[ . 1 . 2]" 1
217 1 42 GLY QA 1 57 CYS H 4.100 2.300 7.000 4.205 3.815 4.621 . 0 0 "[ . 1 . 2]" 1
218 1 5 ASP H 1 19 CYS HA 4.200 2.400 6.000 4.470 4.143 5.355 . 0 0 "[ . 1 . 2]" 1
219 1 6 CYS H 1 19 CYS HA 4.100 2.300 7.000 4.564 4.289 4.901 . 0 0 "[ . 1 . 2]" 1
220 1 14 CYS H 1 21 LEU HA 4.200 2.400 6.000 4.505 4.340 4.800 . 0 0 "[ . 1 . 2]" 1
221 1 14 CYS HA 1 20 LYS H 4.200 2.400 6.000 5.223 4.712 6.037 0.037 12 0 "[ . 1 . 2]" 1
222 1 14 CYS HA 1 21 LEU H 4.200 2.400 6.000 4.363 4.068 4.831 . 0 0 "[ . 1 . 2]" 1
223 1 14 CYS HA 1 22 ARG H 2.600 . 3.400 2.625 1.852 3.329 . 0 0 "[ . 1 . 2]" 1
224 1 26 GLN H 1 37 LYS HA 3.500 . 5.000 2.401 1.988 3.253 0.012 6 0 "[ . 1 . 2]" 1
225 1 27 CYS H 1 37 LYS HA 3.500 . 5.000 3.036 2.595 3.812 . 0 0 "[ . 1 . 2]" 1
226 1 31 LEU H 1 64 CYS HA 4.200 2.400 6.000 5.675 5.282 5.972 . 0 0 "[ . 1 . 2]" 1
227 1 32 CYS H 1 63 ASP HA 3.500 . 5.000 3.158 2.555 3.559 . 0 0 "[ . 1 . 2]" 1
228 1 34 GLU H 1 39 SER HA 4.200 2.400 6.000 3.793 3.470 4.397 . 0 0 "[ . 1 . 2]" 1
229 1 25 ALA HA 1 37 LYS H 4.200 2.400 6.000 5.741 5.268 6.062 0.062 13 0 "[ . 1 . 2]" 1
230 1 26 GLN HA 1 38 PHE H 4.200 2.400 6.000 5.133 4.673 5.974 . 0 0 "[ . 1 . 2]" 1
231 1 33 CYS HA 1 38 PHE H 4.200 2.400 6.000 4.846 4.486 5.529 . 0 0 "[ . 1 . 2]" 1
232 1 33 CYS HA 1 39 SER H 3.500 . 5.000 3.202 2.661 3.776 . 0 0 "[ . 1 . 2]" 1
233 1 43 LYS H 1 57 CYS HA 3.500 . 5.000 4.360 3.937 4.825 . 0 0 "[ . 1 . 2]" 1
234 1 44 ILE H 1 56 ARG HA 4.200 2.400 6.000 4.136 3.929 4.537 . 0 0 "[ . 1 . 2]" 1
235 1 45 CYS H 1 56 ARG HA 3.500 . 5.000 2.429 1.982 2.785 0.018 20 0 "[ . 1 . 2]" 1
236 1 46 ARG H 1 54 ASP HA 4.200 2.400 6.000 5.739 4.939 6.019 0.019 6 0 "[ . 1 . 2]" 1
237 1 46 ARG H 1 55 ASP HA 4.200 2.400 6.000 4.871 4.519 5.205 . 0 0 "[ . 1 . 2]" 1
238 1 46 ARG H 1 56 ARG HA 4.200 2.400 6.000 4.032 3.534 4.455 . 0 0 "[ . 1 . 2]" 1
239 1 44 ILE HA 1 55 ASP H 4.200 2.400 6.000 4.453 3.981 5.667 . 0 0 "[ . 1 . 2]" 1
240 1 46 ARG QB 1 55 ASP H 4.100 2.300 7.000 3.275 1.909 3.738 0.391 8 0 "[ . 1 . 2]" 1
241 1 46 ARG HA 1 55 ASP H 4.200 2.400 6.000 4.963 4.271 5.592 . 0 0 "[ . 1 . 2]" 1
242 1 48 ALA MB 1 55 ASP H 4.200 2.400 6.000 4.465 3.510 4.840 . 0 0 "[ . 1 . 2]" 1
243 1 44 ILE MD 1 55 ASP H 4.100 2.300 7.000 2.547 2.199 3.969 0.101 9 0 "[ . 1 . 2]" 1
244 1 44 ILE MG 1 55 ASP H 4.100 2.300 7.000 5.795 4.954 5.899 . 0 0 "[ . 1 . 2]" 1
245 1 41 ALA HA 1 57 CYS H 4.200 2.400 6.000 5.227 4.873 5.917 . 0 0 "[ . 1 . 2]" 1
246 1 44 ILE HA 1 57 CYS H 3.500 . 5.000 3.910 3.719 4.101 . 0 0 "[ . 1 . 2]" 1
247 1 41 ALA HA 1 58 THR H 4.200 2.400 6.000 4.241 3.848 4.824 . 0 0 "[ . 1 . 2]" 1
248 1 58 THR H 1 64 CYS HA 4.200 2.400 6.000 5.583 4.504 5.996 . 0 0 "[ . 1 . 2]" 1
249 1 41 ALA HA 1 60 GLN H 4.200 2.400 6.000 4.447 4.254 4.680 . 0 0 "[ . 1 . 2]" 1
250 1 31 LEU HA 1 64 CYS H 4.200 2.400 6.000 5.765 5.124 6.031 0.031 10 0 "[ . 1 . 2]" 1
251 1 21 LEU MD2 1 28 GLY H 3.400 . 6.000 2.697 2.232 3.239 . 0 0 "[ . 1 . 2]" 1
252 1 3 GLU HA 1 20 LYS QD 3.400 . 6.000 3.822 2.835 4.949 . 0 0 "[ . 1 . 2]" 1
253 1 3 GLU HA 1 20 LYS QG 3.100 2.300 3.900 3.497 3.206 3.601 . 0 0 "[ . 1 . 2]" 1
254 1 4 CYS HA 1 19 CYS HA 4.200 2.400 6.000 4.081 3.800 4.566 . 0 0 "[ . 1 . 2]" 1
255 1 4 CYS HA 1 19 CYS HB3 3.500 . 5.000 2.776 1.886 4.489 0.114 4 0 "[ . 1 . 2]" 1
256 1 4 CYS HA 1 19 CYS HB2 3.500 . 5.000 3.507 2.723 3.821 . 0 0 "[ . 1 . 2]" 1
257 1 4 CYS HA 1 20 LYS HB3 4.100 2.300 7.000 5.140 4.532 5.746 . 0 0 "[ . 1 . 2]" 1
258 1 4 CYS HA 1 20 LYS HB2 3.500 . 5.000 4.986 4.507 5.116 0.116 1 0 "[ . 1 . 2]" 1
259 1 4 CYS HA 1 20 LYS QG 3.500 . 5.000 2.812 2.117 3.488 . 0 0 "[ . 1 . 2]" 1
260 1 4 CYS HB3 1 19 CYS HB2 3.500 . 5.000 4.217 2.170 5.127 0.127 16 0 "[ . 1 . 2]" 1
261 1 5 ASP HA 1 20 LYS HB3 4.200 2.400 6.000 5.519 5.295 5.816 . 0 0 "[ . 1 . 2]" 1
262 1 5 ASP HA 1 21 LEU MD2 4.100 2.300 7.000 5.770 5.365 5.898 . 0 0 "[ . 1 . 2]" 1
263 1 5 ASP QB 1 20 LYS HB3 2.600 . 3.400 2.936 2.696 3.165 . 0 0 "[ . 1 . 2]" 1
264 1 5 ASP QB 1 21 LEU HG 4.100 2.300 7.000 2.521 1.855 3.917 0.445 13 0 "[ . 1 . 2]" 1
265 1 5 ASP QB 1 21 LEU MD1 2.300 . 7.000 2.761 1.695 3.638 0.105 16 0 "[ . 1 . 2]" 1
266 1 5 ASP QB 1 21 LEU MD2 2.300 . 7.000 3.745 3.436 3.942 . 0 0 "[ . 1 . 2]" 1
267 1 6 CYS HA 1 28 GLY HA3 4.200 2.400 6.000 4.178 2.936 5.194 . 0 0 "[ . 1 . 2]" 1
268 1 6 CYS HA 1 28 GLY HA2 4.100 2.300 7.000 5.770 4.633 6.816 . 0 0 "[ . 1 . 2]" 1
269 1 6 CYS HA 1 14 CYS QB 4.100 2.300 7.000 4.321 4.037 5.056 . 0 0 "[ . 1 . 2]" 1
270 1 6 CYS HA 1 29 GLU HB3 3.500 . 5.000 4.168 2.274 5.025 0.025 13 0 "[ . 1 . 2]" 1
271 1 6 CYS HA 1 29 GLU QG 3.400 . 6.000 3.247 2.156 5.409 . 0 0 "[ . 1 . 2]" 1
272 1 6 CYS HB2 1 21 LEU MD2 4.100 2.300 7.000 5.499 4.907 5.690 . 0 0 "[ . 1 . 2]" 1
273 1 9 PRO HA 1 16 ALA HA 3.500 . 5.000 3.777 2.868 5.005 0.005 17 0 "[ . 1 . 2]" 1
274 1 9 PRO HA 1 14 CYS QB 4.100 2.300 7.000 5.023 3.456 6.215 . 0 0 "[ . 1 . 2]" 1
275 1 9 PRO HA 1 16 ALA MB 3.400 . 6.000 3.100 1.958 4.593 . 0 0 "[ . 1 . 2]" 1
276 1 9 PRO HB3 1 16 ALA MB 3.400 . 6.000 3.454 2.587 4.722 . 0 0 "[ . 1 . 2]" 1
277 1 13 CYS HA 1 36 CYS HB3 4.200 2.400 6.000 4.890 2.329 5.463 0.071 2 0 "[ . 1 . 2]" 1
278 1 13 CYS HA 1 21 LEU HG 4.200 2.400 6.000 5.872 4.628 6.112 0.112 2 0 "[ . 1 . 2]" 1
279 1 13 CYS HA 1 21 LEU QB 4.100 2.300 7.000 5.230 4.541 6.110 . 0 0 "[ . 1 . 2]" 1
280 1 13 CYS HA 1 21 LEU MD2 3.400 . 6.000 3.795 2.998 4.821 . 0 0 "[ . 1 . 2]" 1
281 1 13 CYS HB3 1 29 GLU HB3 4.200 2.400 6.000 6.018 5.814 6.087 0.087 3 0 "[ . 1 . 2]" 1
282 1 13 CYS HB3 1 29 GLU QG 4.100 2.300 7.000 6.294 6.229 6.343 . 0 0 "[ . 1 . 2]" 1
283 1 13 CYS HB3 1 21 LEU MD1 4.100 2.300 7.000 5.059 3.546 5.843 . 0 0 "[ . 1 . 2]" 1
284 1 13 CYS HB3 1 21 LEU MD2 3.400 . 6.000 2.778 1.806 3.403 . 0 0 "[ . 1 . 2]" 1
285 1 13 CYS HB2 1 25 ALA MB 3.400 . 6.000 4.650 4.481 4.997 . 0 0 "[ . 1 . 2]" 1
286 1 14 CYS HA 1 22 ARG HA 3.500 . 5.000 4.359 3.686 5.041 0.041 13 0 "[ . 1 . 2]" 1
287 1 14 CYS HA 1 21 LEU HA 3.500 . 5.000 2.004 1.843 2.617 0.157 12 0 "[ . 1 . 2]" 1
288 1 6 CYS HB3 1 14 CYS HA 4.200 2.400 6.000 4.272 2.411 6.000 0.000 1 0 "[ . 1 . 2]" 1
289 1 14 CYS HA 1 22 ARG QB 3.400 . 6.000 3.392 2.712 4.418 . 0 0 "[ . 1 . 2]" 1
290 1 14 CYS HA 1 21 LEU HG 3.500 . 5.000 3.862 2.577 4.593 . 0 0 "[ . 1 . 2]" 1
291 1 14 CYS HA 1 21 LEU QB 3.400 . 6.000 4.043 3.727 4.744 . 0 0 "[ . 1 . 2]" 1
292 1 14 CYS HA 1 21 LEU MD1 4.100 2.300 7.000 5.054 3.245 5.720 . 0 0 "[ . 1 . 2]" 1
293 1 14 CYS HA 1 21 LEU MD2 3.400 . 6.000 3.780 3.331 4.292 . 0 0 "[ . 1 . 2]" 1
294 1 14 CYS QB 1 21 LEU HG 4.100 2.300 7.000 4.167 2.328 5.942 . 0 0 "[ . 1 . 2]" 1
295 1 14 CYS QB 1 21 LEU MD2 4.100 2.300 8.000 4.036 3.287 5.088 . 0 0 "[ . 1 . 2]" 1
296 1 15 ASP HB2 1 20 LYS QB 3.400 . 6.000 4.411 3.818 4.842 . 0 0 "[ . 1 . 2]" 1
297 1 15 ASP HB2 1 20 LYS QG 4.100 2.300 7.000 6.181 5.541 6.340 . 0 0 "[ . 1 . 2]" 1
298 1 15 ASP HB2 1 21 LEU QB 4.100 2.300 7.000 5.495 4.471 6.235 . 0 0 "[ . 1 . 2]" 1
299 1 9 PRO HB3 1 16 ALA HA 3.500 . 5.000 4.565 3.968 5.014 0.014 9 0 "[ . 1 . 2]" 1
300 1 4 CYS HB3 1 19 CYS HA 3.500 . 5.000 5.030 4.320 5.465 0.465 18 0 "[ . 1 . 2]" 1
301 1 4 CYS HB3 1 19 CYS HB3 3.500 . 5.000 3.995 3.660 4.671 . 0 0 "[ . 1 . 2]" 1
302 1 4 CYS HB2 1 19 CYS HB2 3.500 . 5.000 4.495 3.456 5.374 0.374 2 0 "[ . 1 . 2]" 1
303 1 4 CYS HB3 1 20 LYS HA 4.100 2.300 8.000 5.083 4.205 5.663 . 0 0 "[ . 1 . 2]" 1
304 1 5 ASP QB 1 20 LYS HA 3.500 . 5.000 1.967 1.775 2.440 0.225 5 0 "[ . 1 . 2]" 1
305 1 15 ASP HB3 1 21 LEU HA 4.200 2.400 6.000 5.592 4.187 6.069 0.069 5 0 "[ . 1 . 2]" 1
306 1 15 ASP HB2 1 21 LEU HA 3.700 . 5.500 4.875 3.993 5.546 0.046 14 0 "[ . 1 . 2]" 1
307 1 14 CYS QB 1 21 LEU HA 4.100 2.300 7.000 3.262 2.034 4.546 0.266 16 0 "[ . 1 . 2]" 1
308 1 25 ALA HA 1 36 CYS HB3 3.500 . 5.000 3.790 3.307 4.419 . 0 0 "[ . 1 . 2]" 1
309 1 25 ALA HA 1 36 CYS HB2 3.500 . 5.000 4.439 3.722 5.027 0.027 10 0 "[ . 1 . 2]" 1
310 1 25 ALA HA 1 37 LYS QE 3.400 . 6.000 3.809 2.098 5.108 . 0 0 "[ . 1 . 2]" 1
311 1 21 LEU HG 1 26 GLN HA 4.200 2.400 6.000 5.811 5.521 6.045 0.045 14 0 "[ . 1 . 2]" 1
312 1 21 LEU HA 1 27 CYS HA 4.200 2.400 6.000 5.525 5.169 6.075 0.075 16 0 "[ . 1 . 2]" 1
313 1 27 CYS HA 1 33 CYS HB3 4.200 2.400 6.000 5.822 5.090 6.181 0.181 3 0 "[ . 1 . 2]" 1
314 1 27 CYS HA 1 62 ALA MB 3.400 . 6.000 3.942 3.412 4.431 . 0 0 "[ . 1 . 2]" 1
315 1 21 LEU QB 1 27 CYS HA 3.400 . 6.000 4.538 3.929 5.006 . 0 0 "[ . 1 . 2]" 1
316 1 21 LEU MD1 1 27 CYS HA 3.500 . 5.000 1.991 1.720 2.701 0.280 4 0 "[ . 1 . 2]" 1
317 1 21 LEU MD2 1 27 CYS HA 2.600 . 3.400 2.559 1.987 2.779 . 0 0 "[ . 1 . 2]" 1
318 1 27 CYS HB3 1 33 CYS HB2 3.500 . 5.000 4.489 3.345 5.058 0.058 11 0 "[ . 1 . 2]" 1
319 1 27 CYS HB3 1 62 ALA MB 2.600 . 3.400 2.410 2.048 2.759 . 0 0 "[ . 1 . 2]" 1
320 1 21 LEU MD1 1 27 CYS HB3 4.100 2.300 7.000 4.079 3.496 5.036 . 0 0 "[ . 1 . 2]" 1
321 1 21 LEU MD2 1 27 CYS HB3 4.100 2.300 7.000 4.367 3.891 4.728 . 0 0 "[ . 1 . 2]" 1
322 1 27 CYS HB2 1 62 ALA MB 2.600 . 3.400 2.166 1.819 2.813 . 0 0 "[ . 1 . 2]" 1
323 1 21 LEU MD1 1 27 CYS HB2 3.400 . 6.000 3.915 3.508 4.554 . 0 0 "[ . 1 . 2]" 1
324 1 21 LEU MD2 1 27 CYS HB2 3.400 . 6.000 4.333 3.963 4.599 . 0 0 "[ . 1 . 2]" 1
325 1 13 CYS HB2 1 28 GLY HA3 3.500 . 5.000 3.459 2.345 4.246 . 0 0 "[ . 1 . 2]" 1
326 1 21 LEU MD1 1 28 GLY HA3 4.100 2.300 7.000 4.404 2.031 5.099 0.269 16 0 "[ . 1 . 2]" 1
327 1 21 LEU MD2 1 28 GLY HA3 3.400 . 6.000 2.793 2.144 3.345 . 0 0 "[ . 1 . 2]" 1
328 1 13 CYS HB3 1 28 GLY HA2 3.500 . 5.000 1.984 1.861 2.103 0.139 14 0 "[ . 1 . 2]" 1
329 1 5 ASP QB 1 28 GLY HA2 4.100 2.300 7.000 5.890 5.180 6.160 . 0 0 "[ . 1 . 2]" 1
330 1 13 CYS HB2 1 28 GLY HA2 3.500 . 5.000 2.932 1.959 3.328 0.041 2 0 "[ . 1 . 2]" 1
331 1 21 LEU HG 1 28 GLY HA2 4.200 2.400 6.000 4.487 3.390 4.997 . 0 0 "[ . 1 . 2]" 1
332 1 21 LEU MD1 1 28 GLY HA2 4.100 2.300 7.000 4.544 2.945 5.096 . 0 0 "[ . 1 . 2]" 1
333 1 21 LEU MD2 1 28 GLY HA2 3.400 . 6.000 2.588 1.840 2.990 . 0 0 "[ . 1 . 2]" 1
334 1 30 GLY HA3 1 62 ALA MB 2.600 . 3.400 2.370 1.765 2.582 0.035 14 0 "[ . 1 . 2]" 1
335 1 30 GLY HA2 1 62 ALA MB 3.400 . 6.000 3.742 2.794 3.925 . 0 0 "[ . 1 . 2]" 1
336 1 31 LEU HA 1 64 CYS HB2 4.200 2.400 6.000 5.436 4.996 5.838 . 0 0 "[ . 1 . 2]" 1
337 1 32 CYS HA 1 62 ALA HA 3.500 . 5.000 4.980 4.722 5.038 0.038 14 0 "[ . 1 . 2]" 1
338 1 32 CYS HA 1 39 SER HB3 3.500 . 5.000 4.154 3.620 4.791 . 0 0 "[ . 1 . 2]" 1
339 1 32 CYS HA 1 39 SER HB2 3.500 . 5.000 3.359 2.391 4.728 . 0 0 "[ . 1 . 2]" 1
340 1 32 CYS HA 1 43 LYS QE 4.100 2.300 7.000 3.782 2.759 5.299 . 0 0 "[ . 1 . 2]" 1
341 1 32 CYS HA 1 57 CYS HB2 4.200 2.400 6.000 5.209 4.462 5.691 . 0 0 "[ . 1 . 2]" 1
342 1 32 CYS HB2 1 62 ALA MB 3.400 . 6.000 4.457 4.141 4.826 . 0 0 "[ . 1 . 2]" 1
343 1 32 CYS HB2 1 43 LYS HG3 4.200 2.400 6.000 5.299 4.425 6.006 0.006 17 0 "[ . 1 . 2]" 1
344 1 33 CYS HA 1 38 PHE HA 3.500 . 5.000 3.010 2.636 3.558 . 0 0 "[ . 1 . 2]" 1
345 1 33 CYS HA 1 62 ALA HA 4.200 2.400 6.000 4.001 3.594 4.425 . 0 0 "[ . 1 . 2]" 1
346 1 33 CYS HA 1 39 SER HA 4.200 2.400 6.000 4.826 3.922 5.456 . 0 0 "[ . 1 . 2]" 1
347 1 27 CYS HB3 1 33 CYS HA 4.200 2.400 6.000 4.424 3.546 5.717 . 0 0 "[ . 1 . 2]" 1
348 1 27 CYS HB2 1 33 CYS HA 4.200 2.400 6.000 5.133 3.838 6.090 0.090 14 0 "[ . 1 . 2]" 1
349 1 33 CYS HA 1 39 SER HB2 4.200 2.400 6.000 4.826 3.906 5.659 . 0 0 "[ . 1 . 2]" 1
350 1 13 CYS HB3 1 36 CYS HB3 3.500 . 5.000 3.932 1.983 5.071 0.071 10 0 "[ . 1 . 2]" 1
351 1 13 CYS HB2 1 36 CYS HB3 4.200 2.400 6.000 4.688 3.619 5.779 . 0 0 "[ . 1 . 2]" 1
352 1 25 ALA MB 1 36 CYS HB3 2.600 . 3.400 1.740 1.627 2.120 0.173 3 0 "[ . 1 . 2]" 1
353 1 21 LEU MD2 1 36 CYS HB3 4.100 2.300 7.000 3.333 2.787 3.991 . 0 0 "[ . 1 . 2]" 1
354 1 25 ALA MB 1 36 CYS HB2 2.600 . 3.400 2.510 1.815 2.900 . 0 0 "[ . 1 . 2]" 1
355 1 21 LEU MD2 1 36 CYS HB2 4.100 2.300 7.000 4.687 4.084 5.170 . 0 0 "[ . 1 . 2]" 1
356 1 26 GLN HA 1 37 LYS HA 4.000 2.500 5.500 4.673 4.296 5.581 0.081 3 0 "[ . 1 . 2]" 1
357 1 26 GLN HB3 1 37 LYS HA 3.500 . 5.000 3.154 2.103 3.576 . 0 0 "[ . 1 . 2]" 1
358 1 26 GLN HB2 1 37 LYS HA 3.500 . 5.000 2.696 1.980 4.983 0.020 10 0 "[ . 1 . 2]" 1
359 1 26 GLN HB3 1 38 PHE HA 4.200 2.400 6.000 4.340 3.912 5.566 . 0 0 "[ . 1 . 2]" 1
360 1 26 GLN HB2 1 38 PHE HA 4.200 2.400 6.000 5.096 4.303 6.033 0.033 19 0 "[ . 1 . 2]" 1
361 1 38 PHE HB2 1 60 GLN QG 4.100 2.300 7.000 5.298 4.643 6.260 . 0 0 "[ . 1 . 2]" 1
362 1 34 GLU QG 1 39 SER HA 3.400 . 6.000 4.246 2.327 5.383 . 0 0 "[ . 1 . 2]" 1
363 1 34 GLU HB3 1 39 SER HA 4.200 2.400 6.000 4.705 3.217 6.023 0.023 18 0 "[ . 1 . 2]" 1
364 1 34 GLU HB2 1 39 SER HA 3.500 . 5.000 3.981 2.867 5.062 0.062 3 0 "[ . 1 . 2]" 1
365 1 39 SER HB2 1 57 CYS HB2 3.500 . 5.000 4.293 3.672 4.943 . 0 0 "[ . 1 . 2]" 1
366 1 32 CYS HB2 1 39 SER HB2 3.500 . 5.000 3.976 3.444 4.697 . 0 0 "[ . 1 . 2]" 1
367 1 40 ARG HA 1 59 GLY QA 2.300 . 5.200 2.785 2.109 3.777 . 0 0 "[ . 1 . 2]" 1
368 1 41 ALA HA 1 57 CYS HB2 3.500 . 5.000 3.932 3.569 4.490 . 0 0 "[ . 1 . 2]" 1
369 1 41 ALA HA 1 59 GLY QA 2.300 . 5.200 2.463 1.999 3.015 . 0 0 "[ . 1 . 2]" 1
370 1 42 GLY HA3 1 56 ARG HD3 3.500 . 5.000 4.420 3.013 5.009 0.009 3 0 "[ . 1 . 2]" 1
371 1 42 GLY HA3 1 56 ARG HD2 3.500 . 5.000 3.425 2.584 4.256 . 0 0 "[ . 1 . 2]" 1
372 1 42 GLY HA2 1 56 ARG QB 2.300 . 5.200 1.873 1.728 2.411 0.072 6 0 "[ . 1 . 2]" 1
373 1 44 ILE HA 1 56 ARG HD3 3.500 . 5.000 3.965 2.511 4.830 . 0 0 "[ . 1 . 2]" 1
374 1 44 ILE HA 1 54 ASP HB3 4.200 2.400 6.000 4.815 4.256 6.008 0.008 8 0 "[ . 1 . 2]" 1
375 1 44 ILE HA 1 54 ASP HB2 4.200 2.400 6.000 4.887 4.390 5.248 . 0 0 "[ . 1 . 2]" 1
376 1 45 CYS HA 1 64 CYS HB3 3.500 . 5.000 5.067 4.876 5.172 0.172 18 0 "[ . 1 . 2]" 1
377 1 45 CYS HA 1 64 CYS HB2 3.500 . 5.000 4.201 4.109 4.288 . 0 0 "[ . 1 . 2]" 1
378 1 31 LEU HG 1 45 CYS HA 4.200 2.400 6.000 5.296 3.983 6.033 0.033 6 0 "[ . 1 . 2]" 1
379 1 31 LEU HB3 1 45 CYS HA 3.500 . 5.000 3.536 3.336 5.010 0.010 10 0 "[ . 1 . 2]" 1
380 1 31 LEU HB2 1 45 CYS HA 3.500 . 5.000 4.966 3.482 5.090 0.090 5 0 "[ . 1 . 2]" 1
381 1 31 LEU QD 1 45 CYS HA 2.300 . 7.400 3.005 2.378 3.923 . 0 0 "[ . 1 . 2]" 1
382 1 45 CYS HB3 1 64 CYS HB2 3.500 . 5.000 2.537 2.294 2.943 . 0 0 "[ . 1 . 2]" 1
383 1 31 LEU QD 1 45 CYS HB3 2.300 . 7.400 3.525 2.703 3.778 . 0 0 "[ . 1 . 2]" 1
384 1 46 ARG QD 1 55 ASP HB3 4.200 2.400 6.000 4.409 3.172 5.053 . 0 0 "[ . 1 . 2]" 1
385 1 31 LEU QD 1 46 ARG QD 4.100 2.300 8.400 4.095 2.836 5.320 . 0 0 "[ . 1 . 2]" 1
386 1 46 ARG QD 1 55 ASP HB2 4.200 2.400 6.000 3.996 2.944 5.293 . 0 0 "[ . 1 . 2]" 1
387 1 47 ILE HA 1 54 ASP HB2 4.200 2.400 6.000 4.229 3.360 5.030 . 0 0 "[ . 1 . 2]" 1
388 1 47 ILE HA 1 54 ASP HB3 2.300 . 5.200 2.627 1.863 3.747 . 0 0 "[ . 1 . 2]" 1
389 1 48 ALA HA 1 54 ASP HA 4.200 2.400 5.000 4.451 2.599 4.980 . 0 0 "[ . 1 . 2]" 1
390 1 48 ALA MB 1 52 MET QB 4.100 2.300 7.000 2.702 1.772 4.513 0.528 4 1 "[ +. 1 . 2]" 1
391 1 48 ALA MB 1 52 MET HG3 4.100 2.300 7.000 4.153 2.101 5.317 0.199 5 0 "[ . 1 . 2]" 1
392 1 48 ALA MB 1 52 MET HG2 4.100 2.300 7.000 4.273 2.321 5.357 . 0 0 "[ . 1 . 2]" 1
393 1 48 ALA MB 1 54 ASP HA 3.500 . 5.000 2.656 1.975 3.175 0.025 7 0 "[ . 1 . 2]" 1
394 1 47 ILE HA 1 54 ASP HA 4.100 2.300 7.000 3.306 2.746 3.660 . 0 0 "[ . 1 . 2]" 1
395 1 47 ILE HB 1 54 ASP HA 4.200 2.400 6.000 5.677 4.837 5.998 . 0 0 "[ . 1 . 2]" 1
396 1 44 ILE MD 1 54 ASP HA 3.400 . 6.000 3.594 2.966 3.897 . 0 0 "[ . 1 . 2]" 1
397 1 44 ILE QG 1 54 ASP HA 4.100 2.300 7.000 5.583 4.806 6.055 . 0 0 "[ . 1 . 2]" 1
398 1 44 ILE HB 1 54 ASP HB3 4.200 2.400 6.000 5.127 4.245 6.008 0.008 17 0 "[ . 1 . 2]" 1
399 1 44 ILE QG 1 54 ASP HB3 4.200 2.400 6.000 3.840 3.394 4.649 . 0 0 "[ . 1 . 2]" 1
400 1 44 ILE QG 1 54 ASP HB2 4.200 2.400 6.000 4.465 3.717 4.892 . 0 0 "[ . 1 . 2]" 1
401 1 48 ALA MB 1 54 ASP HB2 4.100 2.300 7.000 4.909 3.833 5.540 . 0 0 "[ . 1 . 2]" 1
402 1 44 ILE MD 1 54 ASP HB3 2.600 . 3.400 1.962 1.717 2.731 0.083 4 0 "[ . 1 . 2]" 1
403 1 44 ILE MD 1 54 ASP HB2 2.600 . 3.400 2.523 2.123 2.789 . 0 0 "[ . 1 . 2]" 1
404 1 55 ASP HA 1 66 ARG HA 4.100 2.300 7.000 5.940 4.648 6.881 . 0 0 "[ . 1 . 2]" 1
405 1 46 ARG QB 1 55 ASP HA 3.400 . 6.000 4.436 3.591 4.941 . 0 0 "[ . 1 . 2]" 1
406 1 46 ARG QB 1 55 ASP HB3 3.400 . 6.000 2.561 1.773 3.358 0.027 8 0 "[ . 1 . 2]" 1
407 1 46 ARG QB 1 55 ASP HB2 3.400 . 6.000 2.122 1.799 2.983 0.001 9 0 "[ . 1 . 2]" 1
408 1 42 GLY HA3 1 56 ARG HA 4.200 2.400 6.000 5.677 5.328 5.960 . 0 0 "[ . 1 . 2]" 1
409 1 42 GLY HA2 1 56 ARG HA 4.200 2.400 6.000 4.265 3.921 4.523 . 0 0 "[ . 1 . 2]" 1
410 1 44 ILE HA 1 56 ARG HA 2.600 . 3.400 2.400 2.184 2.701 . 0 0 "[ . 1 . 2]" 1
411 1 44 ILE MG 1 56 ARG HA 3.400 . 6.000 4.860 4.693 4.966 . 0 0 "[ . 1 . 2]" 1
412 1 44 ILE MD 1 56 ARG HA 3.400 . 6.000 3.498 3.216 3.743 . 0 0 "[ . 1 . 2]" 1
413 1 44 ILE MD 1 56 ARG HD3 3.400 . 6.000 3.886 2.936 4.742 . 0 0 "[ . 1 . 2]" 1
414 1 57 CYS HA 1 64 CYS HA 3.500 . 5.000 4.248 3.693 4.555 . 0 0 "[ . 1 . 2]" 1
415 1 57 CYS HA 1 65 PRO HD3 3.500 . 5.000 4.552 4.093 5.015 0.015 2 0 "[ . 1 . 2]" 1
416 1 57 CYS HA 1 65 PRO HD2 3.500 . 5.000 3.958 3.574 4.341 . 0 0 "[ . 1 . 2]" 1
417 1 43 LYS HG3 1 57 CYS HB3 3.500 . 5.000 4.801 3.553 5.072 0.072 8 0 "[ . 1 . 2]" 1
418 1 41 ALA MB 1 57 CYS HB3 4.100 2.300 7.000 5.376 4.526 5.818 . 0 0 "[ . 1 . 2]" 1
419 1 43 LYS HG3 1 57 CYS HB2 3.500 . 5.000 3.418 1.975 4.155 0.025 13 0 "[ . 1 . 2]" 1
420 1 43 LYS HG2 1 57 CYS HB2 3.500 . 5.000 3.577 2.510 4.607 . 0 0 "[ . 1 . 2]" 1
421 1 41 ALA MB 1 58 THR HB 3.400 . 6.000 3.991 3.219 4.723 . 0 0 "[ . 1 . 2]" 1
422 1 41 ALA MB 1 59 GLY QA 1.800 . 4.300 2.466 2.095 2.939 . 0 0 "[ . 1 . 2]" 1
423 1 32 CYS HB3 1 62 ALA HA 3.500 . 5.000 3.786 2.180 4.705 . 0 0 "[ . 1 . 2]" 1
424 1 32 CYS HB2 1 62 ALA HA 3.500 . 5.000 3.059 2.713 3.840 . 0 0 "[ . 1 . 2]" 1
425 1 31 LEU HG 1 63 ASP HA 3.500 . 5.000 4.701 4.097 5.052 0.052 2 0 "[ . 1 . 2]" 1
426 1 31 LEU HB3 1 63 ASP HB3 4.200 2.400 6.000 6.004 5.708 6.052 0.052 5 0 "[ . 1 . 2]" 1
427 1 31 LEU QD 1 63 ASP HB3 4.100 2.300 8.400 4.449 2.557 5.176 . 0 0 "[ . 1 . 2]" 1
428 1 45 CYS HB3 1 64 CYS HA 4.200 2.400 6.000 4.362 4.093 4.534 . 0 0 "[ . 1 . 2]" 1
429 1 45 CYS HB2 1 64 CYS HA 4.200 2.400 6.000 4.099 3.878 4.209 . 0 0 "[ . 1 . 2]" 1
430 1 31 LEU HB2 1 64 CYS HA 4.200 2.400 6.000 4.529 3.964 6.151 0.151 10 0 "[ . 1 . 2]" 1
431 1 58 THR MG 1 64 CYS HA 4.100 2.300 7.000 5.510 4.003 5.773 . 0 0 "[ . 1 . 2]" 1
432 1 31 LEU QD 1 64 CYS HA 2.300 . 7.400 4.567 2.742 5.440 . 0 0 "[ . 1 . 2]" 1
433 1 31 LEU HG 1 64 CYS HB2 3.500 . 5.000 4.278 1.947 5.030 0.053 10 0 "[ . 1 . 2]" 1
434 1 31 LEU HB3 1 64 CYS HB2 3.500 . 5.000 2.969 2.521 4.511 . 0 0 "[ . 1 . 2]" 1
435 1 31 LEU HB2 1 64 CYS HB2 3.500 . 5.000 2.896 2.316 3.857 . 0 0 "[ . 1 . 2]" 1
436 1 31 LEU QD 1 64 CYS HB2 2.300 . 5.200 2.956 1.777 3.891 0.023 10 0 "[ . 1 . 2]" 1
437 1 58 THR MG 1 65 PRO HD3 3.400 . 6.000 4.635 3.344 4.914 . 0 0 "[ . 1 . 2]" 1
438 1 45 CYS HB2 1 65 PRO HD2 4.200 2.400 6.000 5.316 5.000 5.752 . 0 0 "[ . 1 . 2]" 1
439 1 45 CYS HB3 1 65 PRO HD3 4.200 2.400 6.000 6.017 5.710 6.081 0.081 13 0 "[ . 1 . 2]" 1
440 1 45 CYS HB2 1 65 PRO HD3 4.200 2.400 6.000 5.926 5.754 6.048 0.048 17 0 "[ . 1 . 2]" 1
441 1 26 GLN HE21 1 38 PHE QE 4.100 2.300 7.400 4.881 2.602 6.096 . 0 0 "[ . 1 . 2]" 1
442 1 26 GLN HA 1 38 PHE QD 4.100 2.300 7.000 4.961 4.458 5.707 . 0 0 "[ . 1 . 2]" 1
443 1 26 GLN HG3 1 38 PHE QD 4.100 2.300 8.400 3.591 2.371 4.839 . 0 0 "[ . 1 . 2]" 1
444 1 26 GLN HG2 1 38 PHE QD 2.300 . 7.400 2.407 1.863 3.400 . 0 0 "[ . 1 . 2]" 1
445 1 26 GLN HB3 1 38 PHE QD 2.300 . 7.400 2.949 2.243 4.424 . 0 0 "[ . 1 . 2]" 1
446 1 26 GLN HB2 1 38 PHE QD 2.300 . 7.400 3.762 3.148 4.683 . 0 0 "[ . 1 . 2]" 1
447 1 26 GLN H 1 38 PHE QE 4.100 2.300 7.000 5.825 4.982 6.524 . 0 0 "[ . 1 . 2]" 1
448 1 26 GLN HG2 1 38 PHE QE 2.300 . 7.400 2.749 1.978 3.642 . 0 0 "[ . 1 . 2]" 1
449 1 26 GLN HB3 1 38 PHE QE 2.300 . 7.400 3.412 2.726 5.164 . 0 0 "[ . 1 . 2]" 1
450 1 26 GLN HB2 1 38 PHE QE 2.300 . 7.400 4.484 3.248 5.173 . 0 0 "[ . 1 . 2]" 1
451 1 27 CYS H 1 38 PHE QD 4.100 2.300 7.000 5.073 3.993 5.728 . 0 0 "[ . 1 . 2]" 1
452 1 27 CYS HA 1 38 PHE QD 4.100 2.300 7.000 5.486 4.507 6.258 . 0 0 "[ . 1 . 2]" 1
453 1 27 CYS HB3 1 38 PHE QD 2.300 . 7.400 3.230 2.311 4.390 . 0 0 "[ . 1 . 2]" 1
454 1 27 CYS HB2 1 38 PHE QD 2.300 . 7.400 4.145 3.161 5.373 . 0 0 "[ . 1 . 2]" 1
455 1 27 CYS H 1 38 PHE QE 4.100 2.300 7.000 5.014 3.850 5.907 . 0 0 "[ . 1 . 2]" 1
456 1 27 CYS HB3 1 38 PHE QE 2.300 . 5.200 2.779 1.820 3.921 . 0 0 "[ . 1 . 2]" 1
457 1 33 CYS HA 1 38 PHE QD 2.300 . 7.400 3.934 3.449 4.857 . 0 0 "[ . 1 . 2]" 1
458 1 33 CYS HB2 1 38 PHE QD 4.100 2.300 8.400 5.260 3.688 6.299 . 0 0 "[ . 1 . 2]" 1
459 1 33 CYS HB2 1 38 PHE QE 4.100 2.300 8.400 5.828 4.119 6.981 . 0 0 "[ . 1 . 2]" 1
460 1 38 PHE QD 1 60 GLN H 4.100 2.300 7.000 5.243 4.367 5.623 . 0 0 "[ . 1 . 2]" 1
461 1 38 PHE QD 1 60 GLN HA 2.300 . 5.200 2.955 1.824 4.006 . 0 0 "[ . 1 . 2]" 1
462 1 38 PHE QE 1 60 GLN H 4.100 2.300 7.000 6.149 5.222 6.542 . 0 0 "[ . 1 . 2]" 1
463 1 38 PHE QD 1 61 SER H 4.100 2.300 7.000 4.483 3.635 4.952 . 0 0 "[ . 1 . 2]" 1
464 1 38 PHE QD 1 61 SER HB2 4.100 2.300 8.400 5.920 5.218 6.413 . 0 0 "[ . 1 . 2]" 1
465 1 38 PHE QE 1 61 SER HA 4.100 2.300 7.000 3.742 3.126 4.341 . 0 0 "[ . 1 . 2]" 1
466 1 38 PHE QE 1 61 SER HB2 4.100 2.300 8.400 5.912 5.214 6.540 . 0 0 "[ . 1 . 2]" 1
467 1 38 PHE QD 1 62 ALA H 2.300 . 7.400 3.959 3.167 4.803 . 0 0 "[ . 1 . 2]" 1
468 1 38 PHE QD 1 62 ALA HA 2.300 . 7.400 2.779 2.250 3.973 . 0 0 "[ . 1 . 2]" 1
469 1 38 PHE QE 1 62 ALA H 2.300 . 7.400 2.777 1.871 3.940 . 0 0 "[ . 1 . 2]" 1
470 1 38 PHE QE 1 62 ALA HA 2.300 . 7.400 3.279 2.164 4.447 . 0 0 "[ . 1 . 2]" 1
471 1 53 PRO HB2 1 67 TYR QD 4.100 2.300 8.400 5.079 3.228 6.417 . 0 0 "[ . 1 . 2]" 1
472 1 53 PRO HB3 1 67 TYR QD 4.100 2.300 8.400 6.045 4.521 7.616 . 0 0 "[ . 1 . 2]" 1
473 1 53 PRO HB2 1 67 TYR QE 4.100 2.300 8.400 4.904 2.875 7.562 . 0 0 "[ . 1 . 2]" 1
474 1 53 PRO HB3 1 67 TYR QE 4.100 2.300 8.400 5.700 4.215 7.699 . 0 0 "[ . 1 . 2]" 1
475 1 6 CYS HB2 1 11 ASN HD22 4.200 2.400 6.000 4.409 2.344 5.765 0.056 17 0 "[ . 1 . 2]" 1
476 1 6 CYS HB2 1 11 ASN HD21 3.500 . 5.000 3.547 2.032 4.963 . 0 0 "[ . 1 . 2]" 1
477 1 6 CYS HA 1 11 ASN HD21 4.200 2.400 6.000 5.312 4.044 5.877 . 0 0 "[ . 1 . 2]" 1
478 1 11 ASN HD22 1 28 GLY HA3 3.500 . 5.000 3.765 2.454 5.035 0.035 13 0 "[ . 1 . 2]" 1
479 1 11 ASN HD22 1 28 GLY HA2 4.200 2.400 6.000 4.154 2.895 5.602 . 0 0 "[ . 1 . 2]" 1
480 1 11 ASN HD21 1 28 GLY HA2 4.200 2.400 6.000 4.826 3.707 6.022 0.022 3 0 "[ . 1 . 2]" 1
481 1 11 ASN HD22 1 29 GLU HB3 4.200 2.400 6.000 3.637 2.786 5.499 . 0 0 "[ . 1 . 2]" 1
482 1 11 ASN HD22 1 29 GLU HB2 4.200 2.400 6.000 4.398 2.910 5.404 . 0 0 "[ . 1 . 2]" 1
483 1 11 ASN HD22 1 29 GLU HG3 4.200 2.400 6.000 5.434 3.906 6.017 0.017 10 0 "[ . 1 . 2]" 1
484 1 11 ASN HD22 1 29 GLU HG2 4.200 2.400 6.000 4.983 4.219 6.028 0.028 6 0 "[ . 1 . 2]" 1
485 1 11 ASN HD21 1 29 GLU HG3 4.200 2.400 6.000 5.093 3.530 5.802 . 0 0 "[ . 1 . 2]" 1
486 1 11 ASN HD21 1 29 GLU HB2 4.200 2.400 6.000 4.300 2.516 5.787 . 0 0 "[ . 1 . 2]" 1
487 1 11 ASN HD21 1 29 GLU HB3 4.200 2.400 6.000 3.496 2.406 5.078 . 0 0 "[ . 1 . 2]" 1
488 1 11 ASN HD21 1 29 GLU HG2 4.200 2.400 6.000 4.467 3.213 5.677 . 0 0 "[ . 1 . 2]" 1
489 1 26 GLN HE22 1 38 PHE H 4.200 2.400 6.000 4.798 3.146 6.059 0.059 19 0 "[ . 1 . 2]" 1
490 1 4 CYS H 1 6 CYS H 4.200 2.400 6.000 5.744 5.120 6.046 0.046 10 0 "[ . 1 . 2]" 1
491 1 8 SER H 1 11 ASN H 4.200 2.400 6.000 5.041 4.531 5.743 . 0 0 "[ . 1 . 2]" 1
492 1 11 ASN H 1 13 CYS H 4.200 2.400 6.000 5.179 4.496 5.756 . 0 0 "[ . 1 . 2]" 1
493 1 16 ALA H 1 18 THR H 4.200 2.400 6.000 4.496 4.178 5.118 . 0 0 "[ . 1 . 2]" 1
494 1 18 THR H 1 20 LYS H 4.200 2.400 6.000 3.337 2.850 3.760 . 0 0 "[ . 1 . 2]" 1
495 1 15 ASP H 1 19 CYS H 4.200 2.400 6.000 4.784 4.445 5.287 . 0 0 "[ . 1 . 2]" 1
496 1 16 ALA H 1 19 CYS H 4.200 2.400 6.000 4.456 4.205 5.067 . 0 0 "[ . 1 . 2]" 1
497 1 22 ARG H 1 25 ALA H 4.200 2.400 6.000 4.888 3.754 5.441 . 0 0 "[ . 1 . 2]" 1
498 1 31 LEU H 1 33 CYS H 4.200 2.400 6.000 4.606 3.898 5.144 . 0 0 "[ . 1 . 2]" 1
499 1 34 GLU H 1 36 CYS H 4.200 2.400 6.000 4.418 4.100 4.592 . 0 0 "[ . 1 . 2]" 1
500 1 34 GLU H 1 37 LYS H 3.500 . 5.000 3.198 2.822 3.464 . 0 0 "[ . 1 . 2]" 1
501 1 34 GLU H 1 38 PHE H 4.200 2.400 6.000 5.165 4.636 5.476 . 0 0 "[ . 1 . 2]" 1
502 1 35 GLN H 1 37 LYS H 4.200 2.400 6.000 4.057 3.923 4.286 . 0 0 "[ . 1 . 2]" 1
503 1 40 ARG H 1 43 LYS H 4.200 2.400 6.000 5.518 4.885 6.026 0.026 16 0 "[ . 1 . 2]" 1
504 1 41 ALA H 1 43 LYS H 4.200 2.400 6.000 5.316 4.742 5.796 . 0 0 "[ . 1 . 2]" 1
505 1 44 ILE H 1 46 ARG H 4.200 2.400 6.000 5.834 5.426 6.037 0.037 10 0 "[ . 1 . 2]" 1
506 1 58 THR H 1 60 GLN H 4.200 2.400 6.000 4.011 3.286 4.981 . 0 0 "[ . 1 . 2]" 1
507 1 58 THR H 1 61 SER H 4.200 2.400 6.000 3.361 2.971 3.837 . 0 0 "[ . 1 . 2]" 1
508 1 59 GLY H 1 61 SER H 3.500 . 5.000 3.100 2.889 3.338 . 0 0 "[ . 1 . 2]" 1
509 1 44 ILE MG 1 45 CYS H 4.100 2.300 7.000 3.957 3.419 4.137 . 0 0 "[ . 1 . 2]" 1
510 1 47 ILE MG 1 49 ARG H 3.400 . 6.000 4.480 3.250 5.065 . 0 0 "[ . 1 . 2]" 1
511 1 26 GLN HG2 1 27 CYS H 4.200 2.400 6.000 5.086 3.399 5.567 . 0 0 "[ . 1 . 2]" 1
512 1 37 LYS HG2 1 38 PHE H 4.200 2.400 6.000 3.448 2.469 4.975 . 0 0 "[ . 1 . 2]" 1
513 1 43 LYS HG2 1 44 ILE H 3.500 . 5.000 4.569 3.323 4.961 . 0 0 "[ . 1 . 2]" 1
514 1 12 PRO QG 1 13 CYS H 3.400 . 6.000 3.125 2.346 3.621 . 0 0 "[ . 1 . 2]" 1
515 1 26 GLN HG3 1 27 CYS H 3.500 . 5.000 4.807 3.286 5.018 0.018 5 0 "[ . 1 . 2]" 1
516 1 37 LYS HG3 1 38 PHE H 4.200 2.400 6.000 3.937 2.376 5.259 0.024 18 0 "[ . 1 . 2]" 1
517 1 43 LYS HG3 1 44 ILE H 3.500 . 5.000 3.603 2.597 4.872 . 0 0 "[ . 1 . 2]" 1
518 1 2 LYS QG 1 4 CYS H 4.100 2.300 7.000 4.240 2.083 5.449 0.217 14 0 "[ . 1 . 2]" 1
519 1 15 ASP H 1 18 THR MG 4.100 2.300 7.000 4.417 3.459 5.723 . 0 0 "[ . 1 . 2]" 1
520 1 17 ALA H 1 18 THR MG 3.400 . 6.000 4.138 3.718 4.732 . 0 0 "[ . 1 . 2]" 1
521 1 18 THR MG 1 19 CYS H 3.400 . 6.000 3.271 2.307 4.056 . 0 0 "[ . 1 . 2]" 1
522 1 20 LYS QG 1 21 LEU H 4.200 2.600 6.800 3.702 3.159 4.029 . 0 0 "[ . 1 . 2]" 1
523 1 23 PRO QG 1 24 GLY H 4.100 2.300 7.000 3.645 3.170 4.301 . 0 0 "[ . 1 . 2]" 1
524 1 29 GLU QG 1 30 GLY H 4.100 2.300 7.000 3.461 1.983 4.127 0.317 6 0 "[ . 1 . 2]" 1
525 1 35 GLN QG 1 36 CYS H 4.100 2.300 7.000 4.363 3.478 4.625 . 0 0 "[ . 1 . 2]" 1
526 1 34 GLU QG 1 37 LYS H 3.400 . 6.000 4.947 3.323 5.412 . 0 0 "[ . 1 . 2]" 1
527 1 46 ARG HG3 1 47 ILE H 3.400 . 6.000 3.848 2.223 5.399 . 0 0 "[ . 1 . 2]" 1
528 1 47 ILE HG13 1 48 ALA MB 3.400 . 6.000 4.395 3.311 5.088 . 0 0 "[ . 1 . 2]" 1
529 1 46 ARG QB 1 47 ILE H 3.400 . 6.000 3.411 2.307 3.953 . 0 0 "[ . 1 . 2]" 1
530 1 46 ARG HG2 1 47 ILE H 3.400 . 6.000 3.622 1.895 4.514 . 0 0 "[ . 1 . 2]" 1
531 1 46 ARG HA 1 48 ALA H 4.100 2.300 7.000 6.004 4.368 6.613 . 0 0 "[ . 1 . 2]" 1
532 1 47 ILE HB 1 48 ALA H 3.400 . 6.000 3.945 2.182 4.691 . 0 0 "[ . 1 . 2]" 1
533 1 47 ILE HG13 1 48 ALA H 3.400 . 6.000 2.930 1.884 4.371 . 0 0 "[ . 1 . 2]" 1
534 1 47 ILE MG 1 48 ALA H 3.400 . 6.000 3.719 2.583 4.069 . 0 0 "[ . 1 . 2]" 1
535 1 47 ILE MD 1 48 ALA H 3.400 . 6.000 3.654 2.294 4.897 . 0 0 "[ . 1 . 2]" 1
536 1 49 ARG QG 1 50 GLY H 4.100 2.300 7.000 4.132 3.248 4.708 . 0 0 "[ . 1 . 2]" 1
537 1 48 ALA MB 1 52 MET H 3.400 . 6.000 3.891 2.763 4.766 . 0 0 "[ . 1 . 2]" 1
538 1 53 PRO HG3 1 54 ASP H 3.500 . 5.000 4.879 4.568 5.012 0.012 18 0 "[ . 1 . 2]" 1
539 1 53 PRO HG2 1 54 ASP H 3.500 . 5.000 4.185 3.782 4.359 . 0 0 "[ . 1 . 2]" 1
540 1 56 ARG QG 1 57 CYS H 3.400 . 6.000 4.133 3.200 4.572 . 0 0 "[ . 1 . 2]" 1
541 1 58 THR MG 1 59 GLY H 4.100 2.300 7.000 3.925 2.200 4.293 0.100 17 0 "[ . 1 . 2]" 1
542 1 58 THR MG 1 60 GLN H 4.100 2.300 7.000 4.202 2.225 4.967 0.075 17 0 "[ . 1 . 2]" 1
543 1 58 THR MG 1 61 SER H 4.100 2.300 7.000 3.985 1.784 4.746 0.516 17 1 "[ . 1 . + 2]" 1
544 1 65 PRO QG 1 66 ARG H 4.100 2.300 7.000 3.752 2.010 4.937 0.290 3 0 "[ . 1 . 2]" 1
545 1 66 ARG QG 1 67 TYR H 3.400 . 6.000 3.432 1.955 4.193 . 0 0 "[ . 1 . 2]" 1
546 1 66 ARG QG 1 68 HIS H 4.100 2.300 7.000 4.516 2.000 6.183 0.300 16 0 "[ . 1 . 2]" 1
547 1 31 LEU HG 1 32 CYS H 4.200 2.400 6.000 4.992 4.440 5.510 . 0 0 "[ . 1 . 2]" 1
548 1 21 LEU MD2 1 22 ARG H 3.400 . 6.000 2.879 1.770 3.650 0.030 2 0 "[ . 1 . 2]" 1
549 1 21 LEU MD1 1 22 ARG H 3.400 . 6.000 4.654 3.861 5.025 . 0 0 "[ . 1 . 2]" 1
550 1 12 PRO HD3 1 13 CYS H 3.500 . 5.000 3.765 3.598 3.933 . 0 0 "[ . 1 . 2]" 1
551 1 12 PRO HD2 1 13 CYS H 3.500 . 5.000 2.524 2.249 2.844 . 0 0 "[ . 1 . 2]" 1
552 1 31 LEU QD 1 32 CYS H 4.100 2.300 7.000 3.948 1.828 4.352 0.472 10 0 "[ . 1 . 2]" 1
553 1 31 LEU QD 1 33 CYS H 4.100 2.300 7.000 4.868 4.048 5.252 . 0 0 "[ . 1 . 2]" 1
554 1 37 LYS QD 1 38 PHE H 4.100 2.300 7.000 4.020 1.853 4.993 0.447 18 0 "[ . 1 . 2]" 1
555 1 40 ARG QD 1 41 ALA H 3.400 . 6.000 4.205 3.054 5.005 . 0 0 "[ . 1 . 2]" 1
556 1 44 ILE MD 1 45 CYS H 3.400 . 6.000 3.175 2.962 3.479 . 0 0 "[ . 1 . 2]" 1
557 1 44 ILE MD 1 46 ARG H 3.500 . 5.000 2.630 1.970 3.108 0.030 20 0 "[ . 1 . 2]" 1
558 1 52 MET H 1 53 PRO HD3 4.200 2.400 6.000 4.731 4.582 4.831 . 0 0 "[ . 1 . 2]" 1
559 1 52 MET H 1 53 PRO HD2 4.200 2.400 6.000 4.902 4.828 4.942 . 0 0 "[ . 1 . 2]" 1
560 1 3 GLU HB2 1 4 CYS H 3.500 . 5.000 4.035 3.071 4.428 . 0 0 "[ . 1 . 2]" 1
561 1 4 CYS HB2 1 5 ASP H 3.500 . 5.000 4.291 3.701 4.620 . 0 0 "[ . 1 . 2]" 1
562 1 4 CYS HB2 1 6 CYS H 3.500 . 5.000 4.822 3.936 5.059 0.059 15 0 "[ . 1 . 2]" 1
563 1 6 CYS HB2 1 7 SER H 4.200 2.400 6.000 2.700 2.328 3.783 0.072 14 0 "[ . 1 . 2]" 1
564 1 6 CYS HB2 1 8 SER H 3.500 . 5.000 2.884 2.354 3.373 . 0 0 "[ . 1 . 2]" 1
565 1 8 SER H 1 11 ASN HB2 4.200 2.400 6.000 4.083 3.512 6.056 0.056 6 0 "[ . 1 . 2]" 1
566 1 8 SER HB2 1 10 GLU H 3.500 . 5.000 3.766 2.468 5.006 0.006 1 0 "[ . 1 . 2]" 1
567 1 10 GLU H 1 11 ASN HB2 3.500 . 5.000 4.203 3.521 5.117 0.117 17 0 "[ . 1 . 2]" 1
568 1 10 GLU HB2 1 11 ASN H 4.200 2.400 6.000 4.207 3.489 4.524 . 0 0 "[ . 1 . 2]" 1
569 1 13 CYS HB2 1 14 CYS H 3.500 . 5.000 3.885 3.461 4.193 . 0 0 "[ . 1 . 2]" 1
570 1 14 CYS HB2 1 15 ASP H 3.500 . 5.000 3.574 2.431 4.486 . 0 0 "[ . 1 . 2]" 1
571 1 15 ASP HB2 1 16 ALA H 3.500 . 5.000 4.562 4.426 4.657 . 0 0 "[ . 1 . 2]" 1
572 1 15 ASP HB2 1 17 ALA H 4.200 2.400 6.000 4.866 4.597 5.223 . 0 0 "[ . 1 . 2]" 1
573 1 15 ASP HB2 1 18 THR H 4.200 2.400 6.000 4.412 4.074 4.704 . 0 0 "[ . 1 . 2]" 1
574 1 15 ASP HB2 1 19 CYS H 4.200 2.400 6.000 5.300 4.673 6.006 0.006 13 0 "[ . 1 . 2]" 1
575 1 19 CYS HB2 1 20 LYS H 4.200 2.400 6.000 4.302 4.046 4.575 . 0 0 "[ . 1 . 2]" 1
576 1 27 CYS HB2 1 28 GLY H 3.500 . 5.000 3.266 2.335 4.165 . 0 0 "[ . 1 . 2]" 1
577 1 28 GLY H 1 29 GLU HB2 4.200 2.400 6.000 5.835 4.905 6.123 0.123 12 0 "[ . 1 . 2]" 1
578 1 27 CYS HB2 1 29 GLU H 3.500 . 5.000 3.867 3.006 4.782 . 0 0 "[ . 1 . 2]" 1
579 1 29 GLU H 1 33 CYS HB2 4.200 2.400 6.000 4.862 3.812 5.740 . 0 0 "[ . 1 . 2]" 1
580 1 29 GLU HB2 1 30 GLY H 3.500 . 5.000 3.125 2.067 4.243 . 0 0 "[ . 1 . 2]" 1
581 1 30 GLY H 1 33 CYS HB2 3.500 . 5.000 3.514 2.890 5.010 0.010 16 0 "[ . 1 . 2]" 1
582 1 31 LEU HB2 1 32 CYS H 3.500 . 5.000 3.172 2.771 3.956 . 0 0 "[ . 1 . 2]" 1
583 1 33 CYS HB2 1 34 GLU H 4.200 2.400 6.000 4.513 4.414 4.614 . 0 0 "[ . 1 . 2]" 1
584 1 34 GLU H 1 37 LYS HB2 4.200 2.400 6.000 4.474 3.510 5.505 . 0 0 "[ . 1 . 2]" 1
585 1 34 GLU HB2 1 35 GLN H 3.500 . 5.000 4.243 3.366 4.639 . 0 0 "[ . 1 . 2]" 1
586 1 35 GLN HB2 1 36 CYS H 4.200 2.400 6.000 4.319 4.089 4.660 . 0 0 "[ . 1 . 2]" 1
587 1 35 GLN HB2 1 37 LYS H 4.200 2.400 6.000 4.119 3.135 5.476 . 0 0 "[ . 1 . 2]" 1
588 1 36 CYS HB2 1 37 LYS H 4.200 2.400 6.000 4.043 3.828 4.236 . 0 0 "[ . 1 . 2]" 1
589 1 37 LYS HB2 1 38 PHE H 3.500 . 5.000 4.080 3.658 4.277 . 0 0 "[ . 1 . 2]" 1
590 1 38 PHE HB2 1 39 SER H 3.500 . 5.000 4.284 4.189 4.378 . 0 0 "[ . 1 . 2]" 1
591 1 39 SER HB2 1 40 ARG H 3.500 . 5.000 2.774 1.996 3.833 0.004 9 0 "[ . 1 . 2]" 1
592 1 55 ASP HB2 1 56 ARG H 3.500 . 5.000 4.318 3.776 4.564 . 0 0 "[ . 1 . 2]" 1
593 1 56 ARG QB 1 57 CYS H 3.400 . 6.000 3.101 2.778 3.302 . 0 0 "[ . 1 . 2]" 1
594 1 57 CYS HB2 1 58 THR H 4.200 2.400 6.000 3.813 3.525 4.278 . 0 0 "[ . 1 . 2]" 1
595 1 60 GLN H 1 61 SER HB2 3.500 . 5.000 4.464 3.827 5.017 0.017 4 0 "[ . 1 . 2]" 1
596 1 60 GLN HB2 1 61 SER H 4.200 2.400 6.000 3.484 3.225 4.212 . 0 0 "[ . 1 . 2]" 1
597 1 61 SER HB2 1 62 ALA H 3.500 . 5.000 4.107 3.171 4.647 . 0 0 "[ . 1 . 2]" 1
598 1 61 SER HB2 1 63 ASP H 3.500 . 5.000 4.881 4.099 5.025 0.025 18 0 "[ . 1 . 2]" 1
599 1 66 ARG HB2 1 68 HIS H 3.500 . 5.000 3.826 2.537 5.010 0.010 7 0 "[ . 1 . 2]" 1
600 1 67 TYR HB2 1 68 HIS H 3.500 . 5.000 3.994 2.133 4.677 . 0 0 "[ . 1 . 2]" 1
601 1 3 GLU HB3 1 4 CYS H 3.500 . 5.000 4.018 2.667 4.696 . 0 0 "[ . 1 . 2]" 1
602 1 4 CYS HB3 1 5 ASP H 4.200 2.400 6.000 3.503 2.708 4.390 . 0 0 "[ . 1 . 2]" 1
603 1 4 CYS HB3 1 6 CYS H 3.500 . 5.000 3.569 2.878 4.343 . 0 0 "[ . 1 . 2]" 1
604 1 6 CYS HB3 1 7 SER H 4.200 2.400 6.000 3.682 2.379 4.420 0.021 1 0 "[ . 1 . 2]" 1
605 1 6 CYS HB3 1 8 SER H 3.500 . 5.000 4.280 2.974 4.998 . 0 0 "[ . 1 . 2]" 1
606 1 7 SER HB3 1 8 SER H 3.500 . 5.000 3.894 2.752 4.693 . 0 0 "[ . 1 . 2]" 1
607 1 8 SER H 1 11 ASN HB3 3.500 . 5.000 4.570 3.971 5.017 0.017 6 0 "[ . 1 . 2]" 1
608 1 8 SER HB3 1 10 GLU H 3.500 . 5.000 3.046 2.269 4.063 . 0 0 "[ . 1 . 2]" 1
609 1 10 GLU H 1 11 ASN HB3 3.500 . 5.000 4.849 3.717 5.034 0.034 13 0 "[ . 1 . 2]" 1
610 1 10 GLU HB3 1 11 ASN H 3.500 . 5.000 4.106 3.442 4.608 . 0 0 "[ . 1 . 2]" 1
611 1 12 PRO HB3 1 13 CYS H 4.200 2.400 6.000 4.372 4.007 4.569 . 0 0 "[ . 1 . 2]" 1
612 1 12 PRO HB2 1 13 CYS H 3.500 . 5.000 3.691 3.062 4.025 . 0 0 "[ . 1 . 2]" 1
613 1 13 CYS H 1 14 CYS HB3 4.200 2.400 6.000 4.769 4.231 5.641 . 0 0 "[ . 1 . 2]" 1
614 1 12 PRO QG 1 14 CYS H 4.100 2.300 7.000 5.142 4.583 5.452 . 0 0 "[ . 1 . 2]" 1
615 1 13 CYS HB3 1 14 CYS H 3.500 . 5.000 3.934 3.356 4.362 . 0 0 "[ . 1 . 2]" 1
616 1 14 CYS HB3 1 15 ASP H 3.500 . 5.000 3.879 2.675 4.335 . 0 0 "[ . 1 . 2]" 1
617 1 15 ASP HB3 1 16 ALA H 3.500 . 5.000 4.165 3.837 4.486 . 0 0 "[ . 1 . 2]" 1
618 1 15 ASP HB3 1 18 THR H 4.200 2.400 6.000 2.736 2.399 3.209 0.001 7 0 "[ . 1 . 2]" 1
619 1 15 ASP HB3 1 19 CYS H 3.500 . 5.000 3.698 3.036 4.400 . 0 0 "[ . 1 . 2]" 1
620 1 19 CYS HB3 1 20 LYS H 4.200 2.400 6.000 4.020 3.544 4.694 . 0 0 "[ . 1 . 2]" 1
621 1 20 LYS HB3 1 21 LEU H 3.000 . 4.500 2.063 1.789 2.526 . 0 0 "[ . 1 . 2]" 1
622 1 27 CYS HB3 1 28 GLY H 3.500 . 5.000 4.129 3.577 4.500 . 0 0 "[ . 1 . 2]" 1
623 1 28 GLY H 1 29 GLU HB3 4.200 2.400 6.000 5.044 4.745 5.359 . 0 0 "[ . 1 . 2]" 1
624 1 27 CYS HB3 1 29 GLU H 3.500 . 5.000 4.894 4.688 5.090 0.090 6 0 "[ . 1 . 2]" 1
625 1 29 GLU H 1 33 CYS HB3 4.200 2.400 6.000 4.735 4.089 5.492 . 0 0 "[ . 1 . 2]" 1
626 1 31 LEU HB3 1 32 CYS H 3.500 . 5.000 3.335 2.807 4.442 . 0 0 "[ . 1 . 2]" 1
627 1 32 CYS H 1 33 CYS HB3 4.200 2.400 6.000 5.409 4.472 6.032 0.032 6 0 "[ . 1 . 2]" 1
628 1 33 CYS HB3 1 34 GLU H 4.200 2.400 6.000 4.061 3.706 4.451 . 0 0 "[ . 1 . 2]" 1
629 1 34 GLU HB3 1 35 GLN H 4.200 2.400 6.000 3.816 3.263 4.437 . 0 0 "[ . 1 . 2]" 1
630 1 35 GLN HB3 1 36 CYS H 4.200 2.400 6.000 4.322 4.035 4.581 . 0 0 "[ . 1 . 2]" 1
631 1 34 GLU HB3 1 37 LYS H 4.200 2.400 6.000 4.887 3.952 5.554 . 0 0 "[ . 1 . 2]" 1
632 1 35 GLN HB3 1 37 LYS H 4.200 2.400 6.000 4.208 3.103 5.248 . 0 0 "[ . 1 . 2]" 1
633 1 36 CYS HB3 1 37 LYS H 4.200 2.400 6.000 4.295 3.791 4.551 . 0 0 "[ . 1 . 2]" 1
634 1 37 LYS HB3 1 38 PHE H 3.500 . 5.000 3.003 2.666 3.864 . 0 0 "[ . 1 . 2]" 1
635 1 38 PHE HB3 1 39 SER H 3.500 . 5.000 3.266 3.141 3.376 . 0 0 "[ . 1 . 2]" 1
636 1 39 SER HB3 1 40 ARG H 3.500 . 5.000 2.256 1.985 3.886 0.015 8 0 "[ . 1 . 2]" 1
637 1 40 ARG QB 1 41 ALA H 2.600 . 3.400 2.640 2.156 2.931 . 0 0 "[ . 1 . 2]" 1
638 1 54 ASP HB3 1 55 ASP H 3.500 . 5.000 2.612 1.990 3.687 0.010 19 0 "[ . 1 . 2]" 1
639 1 54 ASP HB2 1 55 ASP H 3.500 . 5.000 3.129 2.301 4.109 . 0 0 "[ . 1 . 2]" 1
640 1 55 ASP HB3 1 56 ARG H 3.500 . 5.000 3.608 3.019 4.295 . 0 0 "[ . 1 . 2]" 1
641 1 57 CYS HB3 1 58 THR H 3.500 . 5.000 2.662 2.335 3.158 . 0 0 "[ . 1 . 2]" 1
642 1 60 GLN H 1 61 SER HB3 4.200 2.400 6.000 5.311 3.877 6.019 0.019 5 0 "[ . 1 . 2]" 1
643 1 60 GLN HB3 1 61 SER H 3.500 . 5.000 4.283 3.923 4.520 . 0 0 "[ . 1 . 2]" 1
644 1 61 SER HB3 1 63 ASP H 3.500 . 5.000 4.002 3.304 5.020 0.020 14 0 "[ . 1 . 2]" 1
645 1 63 ASP HB3 1 64 CYS H 3.500 . 5.000 2.206 1.971 2.666 0.029 18 0 "[ . 1 . 2]" 1
646 1 66 ARG HB3 1 67 TYR H 3.500 . 5.000 2.591 1.981 3.771 0.019 7 0 "[ . 1 . 2]" 1
647 1 66 ARG HB3 1 68 HIS H 4.200 2.400 6.000 4.287 2.458 5.537 . 0 0 "[ . 1 . 2]" 1
648 1 5 ASP QB 1 6 CYS H 3.400 . 6.000 2.936 2.537 3.657 . 0 0 "[ . 1 . 2]" 1
649 1 8 SER QB 1 11 ASN H 3.400 . 6.000 3.198 2.564 3.711 . 0 0 "[ . 1 . 2]" 1
650 1 17 ALA MB 1 18 THR H 2.600 . 3.400 2.493 2.026 2.780 . 0 0 "[ . 1 . 2]" 1
651 1 21 LEU QB 1 22 ARG H 2.600 . 3.400 2.617 1.826 2.964 . 0 0 "[ . 1 . 2]" 1
652 1 23 PRO QB 1 24 GLY H 3.400 . 6.000 2.406 1.858 3.699 . 0 0 "[ . 1 . 2]" 1
653 1 21 LEU QB 1 25 ALA H 3.400 . 6.000 3.834 2.901 4.677 . 0 0 "[ . 1 . 2]" 1
654 1 23 PRO QB 1 25 ALA H 4.100 2.300 7.000 3.247 2.458 5.125 . 0 0 "[ . 1 . 2]" 1
655 1 25 ALA MB 1 26 GLN H 3.400 . 6.000 2.751 2.278 3.101 . 0 0 "[ . 1 . 2]" 1
656 1 26 GLN QB 1 27 CYS H 3.400 . 6.000 3.028 2.793 3.518 . 0 0 "[ . 1 . 2]" 1
657 1 41 ALA MB 1 42 GLY H 3.400 . 6.000 2.788 2.494 3.254 . 0 0 "[ . 1 . 2]" 1
658 1 43 LYS HG3 1 46 ARG H 4.100 2.300 7.000 5.636 5.342 7.172 0.172 8 0 "[ . 1 . 2]" 1
659 1 43 LYS HG2 1 46 ARG H 4.100 2.300 7.000 7.059 6.989 7.107 0.107 3 0 "[ . 1 . 2]" 1
660 1 45 CYS HB3 1 46 ARG H 4.200 2.400 6.000 4.046 3.922 4.179 . 0 0 "[ . 1 . 2]" 1
661 1 45 CYS HB2 1 46 ARG H 4.200 2.400 6.000 3.679 3.441 4.018 . 0 0 "[ . 1 . 2]" 1
662 1 48 ALA MB 1 49 ARG H 3.400 . 6.000 3.227 2.843 3.707 . 0 0 "[ . 1 . 2]" 1
663 1 49 ARG HB3 1 50 GLY H 3.400 . 6.000 3.922 2.054 4.668 . 0 0 "[ . 1 . 2]" 1
664 1 49 ARG HB2 1 50 GLY H 3.400 . 6.000 3.786 2.304 4.645 . 0 0 "[ . 1 . 2]" 1
665 1 51 ASP H 1 52 MET QB 4.100 2.300 7.000 4.451 3.673 5.415 . 0 0 "[ . 1 . 2]" 1
666 1 51 ASP H 1 52 MET HG3 4.200 2.400 6.000 4.652 2.723 5.845 . 0 0 "[ . 1 . 2]" 1
667 1 51 ASP H 1 52 MET HG2 4.200 2.400 6.000 4.821 2.926 5.990 . 0 0 "[ . 1 . 2]" 1
668 1 51 ASP HB3 1 52 MET H 4.200 2.400 6.000 4.057 2.909 4.681 . 0 0 "[ . 1 . 2]" 1
669 1 51 ASP HB2 1 52 MET H 4.200 2.400 6.000 4.291 3.529 4.683 . 0 0 "[ . 1 . 2]" 1
670 1 62 ALA MB 1 63 ASP H 3.400 . 6.000 2.532 2.159 2.860 . 0 0 "[ . 1 . 2]" 1
671 1 65 PRO QB 1 66 ARG H 3.400 . 6.000 2.089 1.852 3.695 . 0 0 "[ . 1 . 2]" 1
672 1 18 THR HB 1 20 LYS H 3.500 . 5.000 4.242 3.375 4.880 . 0 0 "[ . 1 . 2]" 1
673 1 44 ILE HB 1 45 CYS H 3.500 . 5.000 4.604 4.533 4.673 . 0 0 "[ . 1 . 2]" 1
674 1 44 ILE HB 1 46 ARG H 4.200 2.400 6.000 5.356 4.877 5.814 . 0 0 "[ . 1 . 2]" 1
675 1 58 THR HB 1 60 GLN H 3.500 . 5.000 3.814 2.753 4.203 . 0 0 "[ . 1 . 2]" 1
676 1 58 THR HB 1 61 SER H 4.200 2.400 6.000 4.727 3.597 5.226 . 0 0 "[ . 1 . 2]" 1
677 1 58 THR HA 1 61 SER H 3.500 . 5.000 5.079 5.029 5.155 0.155 6 0 "[ . 1 . 2]" 1
678 1 7 SER H 1 8 SER HA 4.200 2.400 6.000 4.891 4.623 5.336 . 0 0 "[ . 1 . 2]" 1
679 1 6 CYS HA 1 8 SER H 3.500 . 5.000 4.180 3.392 4.996 . 0 0 "[ . 1 . 2]" 1
680 1 8 SER HA 1 10 GLU H 4.200 2.400 6.000 3.707 3.359 4.108 . 0 0 "[ . 1 . 2]" 1
681 1 9 PRO HA 1 11 ASN H 3.500 . 5.000 3.680 3.409 3.946 . 0 0 "[ . 1 . 2]" 1
682 1 12 PRO HA 1 14 CYS H 4.200 2.400 6.000 3.580 3.297 3.958 . 0 0 "[ . 1 . 2]" 1
683 1 15 ASP HA 1 17 ALA H 3.500 . 5.000 3.624 3.395 4.039 . 0 0 "[ . 1 . 2]" 1
684 1 16 ALA HA 1 19 CYS H 3.500 . 5.000 2.934 2.557 3.266 . 0 0 "[ . 1 . 2]" 1
685 1 23 PRO HA 1 25 ALA H 3.500 . 5.000 4.062 3.536 4.452 . 0 0 "[ . 1 . 2]" 1
686 1 28 GLY H 1 29 GLU HA 4.200 2.400 6.000 4.839 4.597 5.163 . 0 0 "[ . 1 . 2]" 1
687 1 27 CYS HA 1 29 GLU H 3.500 . 5.000 4.106 3.891 4.427 . 0 0 "[ . 1 . 2]" 1
688 1 32 CYS H 1 33 CYS HA 4.200 2.400 6.000 4.893 4.598 5.106 . 0 0 "[ . 1 . 2]" 1
689 1 30 GLY HA2 1 33 CYS H 4.200 2.400 6.000 5.213 4.218 5.824 . 0 0 "[ . 1 . 2]" 1
690 1 30 GLY HA3 1 33 CYS H 3.500 . 5.000 4.149 3.033 4.698 . 0 0 "[ . 1 . 2]" 1
691 1 34 GLU H 1 35 GLN HA 4.200 2.400 6.000 6.056 5.967 6.118 0.118 8 0 "[ . 1 . 2]" 1
692 1 34 GLU H 1 38 PHE HA 4.200 2.400 6.000 4.122 3.650 4.470 . 0 0 "[ . 1 . 2]" 1
693 1 34 GLU HA 1 36 CYS H 3.500 . 5.000 3.694 3.490 4.223 . 0 0 "[ . 1 . 2]" 1
694 1 33 CYS HA 1 37 LYS H 4.200 2.400 6.000 3.813 3.349 4.407 . 0 0 "[ . 1 . 2]" 1
695 1 35 GLN HA 1 37 LYS H 4.200 2.400 6.000 4.414 4.144 4.758 . 0 0 "[ . 1 . 2]" 1
696 1 37 LYS HA 1 39 SER H 4.200 2.400 6.000 6.052 5.971 6.115 0.115 9 0 "[ . 1 . 2]" 1
697 1 41 ALA HA 1 43 LYS H 3.500 . 5.000 3.406 3.010 3.972 . 0 0 "[ . 1 . 2]" 1
698 1 41 ALA MB 1 43 LYS H 4.100 2.300 7.000 4.463 4.097 4.995 . 0 0 "[ . 1 . 2]" 1
699 1 44 ILE HA 1 46 ARG H 3.500 . 5.000 3.406 3.072 3.619 . 0 0 "[ . 1 . 2]" 1
700 1 50 GLY HA3 1 52 MET H 4.200 2.400 6.000 3.716 3.075 4.686 . 0 0 "[ . 1 . 2]" 1
701 1 50 GLY HA2 1 52 MET H 4.200 2.400 6.000 4.489 4.072 5.381 . 0 0 "[ . 1 . 2]" 1
702 1 58 THR HA 1 60 GLN H 3.500 . 5.000 4.301 4.066 4.652 . 0 0 "[ . 1 . 2]" 1
703 1 61 SER HA 1 63 ASP H 3.500 . 5.000 4.175 3.444 4.691 . 0 0 "[ . 1 . 2]" 1
704 1 3 GLU HA 1 4 CYS HA 4.200 2.400 6.000 4.532 4.435 4.744 . 0 0 "[ . 1 . 2]" 1
705 1 6 CYS HA 1 7 SER HA 4.200 2.400 6.000 4.463 4.405 4.586 . 0 0 "[ . 1 . 2]" 1
706 1 4 CYS HB3 1 7 SER HA 4.200 2.400 6.000 4.548 3.733 5.135 . 0 0 "[ . 1 . 2]" 1
707 1 4 CYS HB2 1 7 SER HA 4.200 2.400 6.000 5.710 5.014 6.027 0.027 4 0 "[ . 1 . 2]" 1
708 1 8 SER HA 1 9 PRO HA 3.500 . 5.000 4.451 4.403 4.502 . 0 0 "[ . 1 . 2]" 1
709 1 8 SER HA 1 9 PRO QB 3.400 . 6.000 4.568 4.537 4.625 . 0 0 "[ . 1 . 2]" 1
710 1 8 SER HA 1 10 GLU QB 4.100 2.300 7.000 5.238 4.817 5.735 . 0 0 "[ . 1 . 2]" 1
711 1 8 SER HB2 1 11 ASN HB3 3.500 . 5.000 4.031 2.749 4.796 . 0 0 "[ . 1 . 2]" 1
712 1 8 SER HB2 1 11 ASN HB2 3.500 . 5.000 2.903 2.002 4.971 . 0 0 "[ . 1 . 2]" 1
713 1 8 SER HB2 1 10 GLU QB 4.100 2.300 7.000 4.901 3.579 6.068 . 0 0 "[ . 1 . 2]" 1
714 1 13 CYS HA 1 14 CYS QB 3.400 . 6.000 4.870 4.755 5.047 . 0 0 "[ . 1 . 2]" 1
715 1 13 CYS HA 1 14 CYS HA 4.200 2.400 6.000 4.473 4.431 4.622 . 0 0 "[ . 1 . 2]" 1
716 1 14 CYS HA 1 15 ASP HA 4.200 2.400 6.000 4.422 4.379 4.489 . 0 0 "[ . 1 . 2]" 1
717 1 14 CYS HA 1 15 ASP HB3 3.500 . 5.000 4.971 4.697 5.101 0.101 16 0 "[ . 1 . 2]" 1
718 1 14 CYS HA 1 15 ASP HB2 4.200 2.400 6.000 4.253 4.070 4.534 . 0 0 "[ . 1 . 2]" 1
719 1 14 CYS QB 1 15 ASP HA 4.200 2.400 6.000 4.667 4.111 4.998 . 0 0 "[ . 1 . 2]" 1
720 1 15 ASP HB3 1 18 THR MG 3.400 . 6.000 2.454 1.728 3.627 0.072 5 0 "[ . 1 . 2]" 1
721 1 15 ASP HB2 1 18 THR MG 3.400 . 6.000 3.635 2.849 4.513 . 0 0 "[ . 1 . 2]" 1
722 1 14 CYS QB 1 16 ALA HA 4.100 2.300 7.000 5.069 4.443 5.665 . 0 0 "[ . 1 . 2]" 1
723 1 16 ALA HA 1 19 CYS HA 4.100 2.300 7.000 2.843 2.471 3.400 . 0 0 "[ . 1 . 2]" 1
724 1 20 LYS HA 1 21 LEU MD1 4.100 2.300 7.000 4.739 3.723 5.448 . 0 0 "[ . 1 . 2]" 1
725 1 20 LYS HA 1 21 LEU MD2 4.100 2.300 7.000 5.696 5.435 5.952 . 0 0 "[ . 1 . 2]" 1
726 1 21 LEU QB 1 23 PRO HA 4.100 2.300 7.000 5.201 4.696 5.718 . 0 0 "[ . 1 . 2]" 1
727 1 21 LEU MD2 1 23 PRO HA 4.100 2.300 7.000 5.684 5.458 5.762 . 0 0 "[ . 1 . 2]" 1
728 1 22 ARG HD3 1 23 PRO HD2 4.200 2.400 6.000 4.897 3.067 6.013 0.013 11 0 "[ . 1 . 2]" 1
729 1 22 ARG HD2 1 23 PRO HD2 4.200 2.400 6.000 5.097 2.663 6.008 0.008 15 0 "[ . 1 . 2]" 1
730 1 21 LEU QB 1 23 PRO HD2 3.400 . 6.000 3.485 2.389 5.533 . 0 0 "[ . 1 . 2]" 1
731 1 24 GLY HA2 1 25 ALA MB 4.100 2.300 7.000 4.664 4.437 4.899 . 0 0 "[ . 1 . 2]" 1
732 1 25 ALA HA 1 26 GLN HG3 4.200 2.400 6.000 5.745 4.847 6.264 0.264 3 0 "[ . 1 . 2]" 1
733 1 25 ALA HA 1 26 GLN HA 4.200 2.400 6.000 4.412 4.357 4.498 . 0 0 "[ . 1 . 2]" 1
734 1 27 CYS HA 1 28 GLY HA2 3.500 . 5.000 4.421 4.365 4.459 . 0 0 "[ . 1 . 2]" 1
735 1 26 GLN HG3 1 27 CYS HB3 4.200 2.400 6.000 5.522 2.651 6.066 0.066 20 0 "[ . 1 . 2]" 1
736 1 26 GLN HB3 1 27 CYS HB3 4.200 2.400 6.000 3.701 3.149 5.014 . 0 0 "[ . 1 . 2]" 1
737 1 26 GLN HB2 1 27 CYS HB3 4.200 2.400 6.000 4.784 4.183 5.520 . 0 0 "[ . 1 . 2]" 1
738 1 28 GLY HA2 1 29 GLU HB3 4.200 2.400 6.000 5.043 4.799 5.801 . 0 0 "[ . 1 . 2]" 1
739 1 28 GLY HA2 1 29 GLU HB2 4.200 2.400 6.000 5.838 4.868 6.177 0.177 18 0 "[ . 1 . 2]" 1
740 1 28 GLY HA2 1 29 GLU QG 4.100 2.300 7.000 5.384 4.773 6.236 . 0 0 "[ . 1 . 2]" 1
741 1 29 GLU HA 1 33 CYS HB3 4.200 2.400 6.000 3.809 2.772 4.368 . 0 0 "[ . 1 . 2]" 1
742 1 29 GLU HA 1 33 CYS HB2 4.200 2.400 6.000 3.883 3.136 5.047 . 0 0 "[ . 1 . 2]" 1
743 1 30 GLY HA3 1 31 LEU HB2 4.200 2.400 6.000 4.941 4.628 6.173 0.173 10 0 "[ . 1 . 2]" 1
744 1 30 GLY HA3 1 31 LEU QD 2.300 . 7.400 5.039 3.172 5.531 . 0 0 "[ . 1 . 2]" 1
745 1 30 GLY HA2 1 33 CYS HB3 4.200 2.400 6.000 5.555 4.357 6.045 0.045 10 0 "[ . 1 . 2]" 1
746 1 31 LEU HA 1 32 CYS HA 4.200 2.400 6.000 4.568 4.520 4.689 . 0 0 "[ . 1 . 2]" 1
747 1 31 LEU QD 1 32 CYS HA 4.100 2.300 7.000 4.467 3.240 5.174 . 0 0 "[ . 1 . 2]" 1
748 1 33 CYS HA 1 34 GLU HB3 4.200 2.400 6.000 5.352 4.588 5.863 . 0 0 "[ . 1 . 2]" 1
749 1 33 CYS HA 1 34 GLU HB2 4.200 2.400 6.000 4.806 4.370 5.835 . 0 0 "[ . 1 . 2]" 1
750 1 33 CYS HA 1 34 GLU QG 4.100 2.300 7.000 4.776 3.401 6.020 . 0 0 "[ . 1 . 2]" 1
751 1 33 CYS HA 1 34 GLU HA 4.200 2.400 6.000 4.484 4.449 4.522 . 0 0 "[ . 1 . 2]" 1
752 1 37 LYS HA 1 38 PHE HA 4.200 2.400 6.000 4.372 4.354 4.391 . 0 0 "[ . 1 . 2]" 1
753 1 38 PHE HA 1 39 SER HA 3.500 . 5.000 4.421 4.396 4.444 . 0 0 "[ . 1 . 2]" 1
754 1 39 SER HB3 1 43 LYS QE 4.100 2.300 7.000 3.869 2.350 5.515 . 0 0 "[ . 1 . 2]" 1
755 1 39 SER HB2 1 43 LYS QD 3.400 . 6.000 4.862 3.137 5.381 . 0 0 "[ . 1 . 2]" 1
756 1 39 SER HB2 1 43 LYS HG3 3.500 . 5.000 4.741 3.043 5.045 0.045 12 0 "[ . 1 . 2]" 1
757 1 39 SER HB2 1 43 LYS HG2 4.200 2.400 6.000 3.487 2.908 5.132 . 0 0 "[ . 1 . 2]" 1
758 1 40 ARG HA 1 41 ALA HA 3.500 . 5.000 4.377 4.367 4.419 . 0 0 "[ . 1 . 2]" 1
759 1 38 PHE HB2 1 40 ARG HA 4.200 2.400 6.000 6.019 5.680 6.132 0.132 3 0 "[ . 1 . 2]" 1
760 1 40 ARG HA 1 41 ALA MB 3.400 . 6.000 4.115 4.039 4.213 . 0 0 "[ . 1 . 2]" 1
761 1 41 ALA MB 1 42 GLY HA2 4.100 2.300 7.000 4.289 4.164 4.560 . 0 0 "[ . 1 . 2]" 1
762 1 42 GLY HA2 1 44 ILE HA 4.200 2.400 6.000 5.724 5.176 6.023 0.023 13 0 "[ . 1 . 2]" 1
763 1 44 ILE HA 1 45 CYS HB2 4.200 2.400 6.000 5.835 5.785 5.956 . 0 0 "[ . 1 . 2]" 1
764 1 45 CYS HA 1 46 ARG HA 3.500 . 5.000 4.543 4.509 4.567 . 0 0 "[ . 1 . 2]" 1
765 1 44 ILE HA 1 45 CYS HA 3.500 . 5.000 4.563 4.481 4.642 . 0 0 "[ . 1 . 2]" 1
766 1 43 LYS HG3 1 45 CYS HA 4.200 2.400 6.000 3.539 3.276 4.836 . 0 0 "[ . 1 . 2]" 1
767 1 43 LYS HG2 1 45 CYS HA 4.200 2.400 6.000 4.542 4.390 5.161 . 0 0 "[ . 1 . 2]" 1
768 1 44 ILE MD 1 45 CYS HA 3.400 . 6.000 4.744 4.458 4.910 . 0 0 "[ . 1 . 2]" 1
769 1 46 ARG H 1 47 ILE HA 4.100 2.300 7.000 4.725 4.514 4.885 . 0 0 "[ . 1 . 2]" 1
770 1 46 ARG HA 1 47 ILE MG 3.400 . 6.000 3.867 3.592 4.239 . 0 0 "[ . 1 . 2]" 1
771 1 46 ARG HA 1 47 ILE MD 4.100 2.300 7.000 5.533 5.035 5.779 . 0 0 "[ . 1 . 2]" 1
772 1 47 ILE MG 1 48 ALA HA 4.100 2.300 7.000 4.227 3.538 5.539 . 0 0 "[ . 1 . 2]" 1
773 1 48 ALA HA 1 49 ARG QG 4.100 2.300 7.000 4.156 3.411 5.873 . 0 0 "[ . 1 . 2]" 1
774 1 48 ALA HA 1 49 ARG HB3 4.100 2.300 7.000 5.373 4.547 6.019 . 0 0 "[ . 1 . 2]" 1
775 1 48 ALA HA 1 49 ARG HA 4.200 2.400 6.000 4.517 4.405 4.819 . 0 0 "[ . 1 . 2]" 1
776 1 47 ILE MG 1 49 ARG HA 4.100 2.300 7.000 5.174 3.956 5.891 . 0 0 "[ . 1 . 2]" 1
777 1 49 ARG HA 1 50 GLY HA3 4.200 2.400 6.000 4.565 4.449 4.811 . 0 0 "[ . 1 . 2]" 1
778 1 47 ILE MG 1 49 ARG QD 4.100 2.300 8.000 3.301 2.117 5.667 0.183 13 0 "[ . 1 . 2]" 1
779 1 47 ILE MD 1 49 ARG QD 4.100 2.300 8.000 4.641 1.928 5.835 0.372 10 0 "[ . 1 . 2]" 1
780 1 48 ALA MB 1 49 ARG QD 4.100 2.300 7.000 4.858 4.290 5.244 . 0 0 "[ . 1 . 2]" 1
781 1 48 ALA MB 1 49 ARG QG 4.100 2.300 7.000 4.655 4.375 4.989 . 0 0 "[ . 1 . 2]" 1
782 1 50 GLY HA2 1 51 ASP HB2 4.100 2.300 7.000 5.052 4.614 6.206 . 0 0 "[ . 1 . 2]" 1
783 1 50 GLY HA3 1 51 ASP HA 4.100 2.300 7.000 4.514 4.367 4.628 . 0 0 "[ . 1 . 2]" 1
784 1 56 ARG HA 1 57 CYS HB2 4.200 2.400 6.000 4.660 4.231 5.060 . 0 0 "[ . 1 . 2]" 1
785 1 56 ARG HA 1 57 CYS HA 4.200 2.400 6.000 4.423 4.381 4.455 . 0 0 "[ . 1 . 2]" 1
786 1 57 CYS HA 1 58 THR MG 3.400 . 6.000 3.383 3.117 4.075 . 0 0 "[ . 1 . 2]" 1
787 1 58 THR HB 1 60 GLN QB 3.400 . 6.000 4.528 3.124 5.270 . 0 0 "[ . 1 . 2]" 1
788 1 58 THR HB 1 60 GLN QG 3.400 . 6.000 4.507 3.352 5.148 . 0 0 "[ . 1 . 2]" 1
789 1 59 GLY QA 1 60 GLN QG 3.400 . 6.000 3.515 3.142 4.191 . 0 0 "[ . 1 . 2]" 1
790 1 63 ASP HA 1 64 CYS HB3 4.200 2.400 6.000 4.654 4.520 4.808 . 0 0 "[ . 1 . 2]" 1
791 1 63 ASP HA 1 64 CYS HB2 4.200 2.400 6.000 4.394 4.277 4.561 . 0 0 "[ . 1 . 2]" 1
792 1 64 CYS HA 1 65 PRO HA 4.200 2.400 6.000 4.424 4.393 4.480 . 0 0 "[ . 1 . 2]" 1
793 1 64 CYS HA 1 65 PRO HD3 2.600 . 3.400 1.906 1.851 2.075 . 0 0 "[ . 1 . 2]" 1
794 1 64 CYS HA 1 65 PRO HD2 2.600 . 3.400 2.162 2.068 2.246 . 0 0 "[ . 1 . 2]" 1
795 1 63 ASP HB3 1 64 CYS HA 4.200 2.400 6.000 4.664 4.420 4.929 . 0 0 "[ . 1 . 2]" 1
796 1 63 ASP HB2 1 64 CYS HA 4.200 2.400 6.000 4.544 4.273 4.821 . 0 0 "[ . 1 . 2]" 1
797 1 64 CYS HA 1 65 PRO HB2 4.200 2.400 6.000 5.335 5.325 5.351 . 0 0 "[ . 1 . 2]" 1
798 1 64 CYS HA 1 65 PRO HB3 3.500 . 5.000 4.880 4.814 5.020 0.020 17 0 "[ . 1 . 2]" 1
799 1 64 CYS HA 1 65 PRO HG3 3.500 . 5.000 4.117 4.080 4.232 . 0 0 "[ . 1 . 2]" 1
800 1 64 CYS HA 1 65 PRO HG2 3.500 . 5.000 4.254 4.228 4.299 . 0 0 "[ . 1 . 2]" 1
801 1 63 ASP HB3 1 65 PRO HA 4.200 2.400 6.000 5.638 5.221 6.013 0.013 6 0 "[ . 1 . 2]" 1
802 1 63 ASP HB2 1 65 PRO HA 4.200 2.400 6.000 5.560 5.103 6.009 0.009 12 0 "[ . 1 . 2]" 1
803 1 64 CYS HB3 1 65 PRO HD3 4.200 2.400 6.000 4.722 4.661 4.779 . 0 0 "[ . 1 . 2]" 1
804 1 64 CYS HB2 1 65 PRO HD3 4.200 2.400 6.000 4.309 4.166 4.386 . 0 0 "[ . 1 . 2]" 1
805 1 64 CYS HB3 1 65 PRO HD2 4.200 2.400 6.000 4.473 4.190 4.878 . 0 0 "[ . 1 . 2]" 1
806 1 64 CYS HB2 1 65 PRO HD2 4.200 2.400 6.000 4.040 3.717 4.313 . 0 0 "[ . 1 . 2]" 1
807 1 34 GLU H 1 38 PHE QD 4.100 2.300 7.000 5.497 4.863 6.305 . 0 0 "[ . 1 . 2]" 1
808 1 37 LYS HA 1 38 PHE QD 4.100 2.300 7.000 4.592 3.310 5.263 . 0 0 "[ . 1 . 2]" 1
809 1 66 ARG HA 1 67 TYR QD 4.100 2.300 7.000 4.925 3.652 6.092 . 0 0 "[ . 1 . 2]" 1
810 1 67 TYR H 1 67 TYR QD 2.300 . 7.400 3.574 2.031 4.483 . 0 0 "[ . 1 . 2]" 1
811 1 67 TYR QD 1 68 HIS H 2.300 . 7.400 4.161 2.907 4.973 . 0 0 "[ . 1 . 2]" 1
812 1 8 SER H 1 11 ASN HD22 4.200 2.400 6.000 5.607 3.252 6.018 0.018 8 0 "[ . 1 . 2]" 1
813 1 8 SER HB2 1 11 ASN HD22 4.200 2.400 6.000 5.003 3.575 6.012 0.012 9 0 "[ . 1 . 2]" 1
814 1 8 SER HB2 1 11 ASN HD21 4.200 2.400 6.000 3.808 2.656 4.983 . 0 0 "[ . 1 . 2]" 1
815 1 8 SER H 1 11 ASN HD21 4.200 2.400 6.000 4.395 3.782 5.197 . 0 0 "[ . 1 . 2]" 1
816 1 11 ASN HD22 1 13 CYS HB2 4.200 2.400 6.000 3.350 2.425 4.935 . 0 0 "[ . 1 . 2]" 1
817 1 11 ASN HD22 1 13 CYS H 4.200 2.400 6.000 3.978 3.374 4.954 . 0 0 "[ . 1 . 2]" 1
818 1 11 ASN HD21 1 13 CYS HB2 4.200 2.400 6.000 4.083 2.770 5.458 . 0 0 "[ . 1 . 2]" 1
819 1 11 ASN HD21 1 13 CYS H 4.200 2.400 6.000 4.265 2.927 4.943 . 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 2.011 2.004 2.023 . 0 0 "[ . 1 . 2]" 2
2 1 6 CYS SG 1 14 CYS SG 2.020 . 2.120 2.019 2.014 2.020 . 0 0 "[ . 1 . 2]" 2
3 1 13 CYS SG 1 36 CYS SG 2.020 . 2.120 2.019 2.013 2.023 . 0 0 "[ . 1 . 2]" 2
4 1 27 CYS SG 1 33 CYS SG 2.020 . 2.120 2.019 2.011 2.022 . 0 0 "[ . 1 . 2]" 2
5 1 32 CYS SG 1 57 CYS SG 2.020 . 2.120 2.019 2.015 2.020 . 0 0 "[ . 1 . 2]" 2
6 1 45 CYS SG 1 64 CYS SG 2.020 . 2.120 2.018 2.014 2.024 . 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 73
_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 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 6 CYS 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 11 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 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 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 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 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ILE 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 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 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 0.000 0.000 . 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 66 ARG 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 30 GLY H 1 30 GLY HA2 2.600 . 3.400 2.736 2.560 2.775 . 0 0 "[ . 1 . 2]" 3
2 1 42 GLY H 1 42 GLY HA3 2.600 . 3.400 2.914 2.891 2.989 . 0 0 "[ . 1 . 2]" 3
3 1 50 GLY H 1 50 GLY HA3 2.600 . 3.400 2.939 2.820 2.994 . 0 0 "[ . 1 . 2]" 3
4 1 50 GLY H 1 50 GLY HA2 2.600 . 3.400 2.645 2.392 2.869 . 0 0 "[ . 1 . 2]" 3
5 1 59 GLY H 1 59 GLY QA 2.600 . 3.400 2.290 2.256 2.353 . 0 0 "[ . 1 . 2]" 3
6 1 11 ASN H 1 11 ASN HA 2.600 . 3.400 2.949 2.881 2.987 . 0 0 "[ . 1 . 2]" 3
7 1 16 ALA H 1 16 ALA HA 2.600 . 3.400 2.854 2.795 2.908 . 0 0 "[ . 1 . 2]" 3
8 1 19 CYS H 1 19 CYS HA 2.600 . 3.400 2.364 2.346 2.389 . 0 0 "[ . 1 . 2]" 3
9 1 25 ALA H 1 25 ALA HA 2.600 . 3.400 2.913 2.869 2.991 . 0 0 "[ . 1 . 2]" 3
10 1 27 CYS H 1 27 CYS HA 2.600 . 3.400 2.942 2.929 2.961 . 0 0 "[ . 1 . 2]" 3
11 1 31 LEU HA 1 33 CYS H 4.200 2.400 6.000 4.104 3.544 4.610 . 0 0 "[ . 1 . 2]" 3
12 1 35 GLN H 1 35 GLN HA 2.600 . 3.400 2.343 2.332 2.350 . 0 0 "[ . 1 . 2]" 3
13 1 36 CYS H 1 36 CYS HA 2.600 . 3.400 2.342 2.329 2.357 . 0 0 "[ . 1 . 2]" 3
14 1 40 ARG H 1 40 ARG HA 2.600 . 3.400 2.954 2.846 2.992 . 0 0 "[ . 1 . 2]" 3
15 1 43 LYS H 1 43 LYS HA 2.600 . 3.400 2.963 2.912 2.992 . 0 0 "[ . 1 . 2]" 3
16 1 48 ALA H 1 48 ALA HA 2.600 . 3.400 2.948 2.802 2.994 . 0 0 "[ . 1 . 2]" 3
17 1 49 ARG H 1 49 ARG HA 2.600 . 3.400 2.943 2.755 2.994 . 0 0 "[ . 1 . 2]" 3
18 1 51 ASP H 1 51 ASP HA 2.600 . 3.400 2.936 2.754 2.993 . 0 0 "[ . 1 . 2]" 3
19 1 66 ARG H 1 66 ARG HA 2.600 . 3.400 2.976 2.936 2.992 . 0 0 "[ . 1 . 2]" 3
20 1 67 TYR H 1 67 TYR HA 2.600 . 3.400 2.958 2.903 2.994 . 0 0 "[ . 1 . 2]" 3
21 1 3 GLU HA 1 3 GLU HB3 2.600 . 3.400 2.716 2.376 3.031 . 0 0 "[ . 1 . 2]" 3
22 1 3 GLU HA 1 3 GLU HB2 2.600 . 3.400 2.749 2.390 3.036 . 0 0 "[ . 1 . 2]" 3
23 1 4 CYS HA 1 4 CYS HB3 2.600 . 3.400 2.677 2.434 3.011 . 0 0 "[ . 1 . 2]" 3
24 1 5 ASP HA 1 5 ASP QB 3.500 . 5.000 2.460 2.320 2.545 . 0 0 "[ . 1 . 2]" 3
25 1 6 CYS HA 1 6 CYS HB3 2.600 . 3.400 2.477 2.291 2.596 . 0 0 "[ . 1 . 2]" 3
26 1 7 SER HA 1 7 SER HB3 2.600 . 3.400 2.664 2.301 3.034 . 0 0 "[ . 1 . 2]" 3
27 1 7 SER HA 1 7 SER HB2 2.600 . 3.400 2.744 2.299 3.030 . 0 0 "[ . 1 . 2]" 3
28 1 8 SER HA 1 8 SER HB3 2.600 . 3.400 2.588 2.248 3.014 . 0 0 "[ . 1 . 2]" 3
29 1 8 SER HA 1 8 SER HB2 2.600 . 3.400 2.903 2.348 3.030 . 0 0 "[ . 1 . 2]" 3
30 1 9 PRO HA 1 9 PRO HB3 2.600 . 3.400 2.306 2.302 2.309 . 0 0 "[ . 1 . 2]" 3
31 1 10 GLU HA 1 10 GLU QB 2.600 . 3.400 2.415 2.191 2.545 . 0 0 "[ . 1 . 2]" 3
32 1 12 PRO HA 1 12 PRO HB3 2.600 . 3.400 2.306 2.297 2.313 . 0 0 "[ . 1 . 2]" 3
33 1 13 CYS HA 1 13 CYS HB3 2.600 . 3.400 2.786 2.412 2.985 . 0 0 "[ . 1 . 2]" 3
34 1 15 ASP HA 1 15 ASP HB3 2.600 . 3.400 2.999 2.958 3.035 . 0 0 "[ . 1 . 2]" 3
35 1 15 ASP HA 1 15 ASP HB2 2.600 . 3.400 2.637 2.456 2.727 . 0 0 "[ . 1 . 2]" 3
36 1 18 THR HA 1 18 THR HB 2.600 . 3.400 2.395 2.280 2.513 . 0 0 "[ . 1 . 2]" 3
37 1 19 CYS HA 1 19 CYS HB3 2.600 . 3.400 2.797 2.381 2.992 . 0 0 "[ . 1 . 2]" 3
38 1 19 CYS HA 1 19 CYS HB2 2.600 . 3.400 2.599 2.364 2.742 . 0 0 "[ . 1 . 2]" 3
39 1 20 LYS HA 1 20 LYS HB3 2.600 . 3.400 2.572 2.402 2.740 . 0 0 "[ . 1 . 2]" 3
40 1 23 PRO HA 1 23 PRO HB3 2.600 . 3.400 2.304 2.296 2.308 . 0 0 "[ . 1 . 2]" 3
41 1 23 PRO HA 1 23 PRO HB2 2.600 . 3.400 2.750 2.741 2.769 . 0 0 "[ . 1 . 2]" 3
42 1 26 GLN HA 1 26 GLN HB2 2.600 . 3.400 2.773 2.241 2.931 . 0 0 "[ . 1 . 2]" 3
43 1 27 CYS HA 1 27 CYS HB3 2.600 . 3.400 2.721 2.347 3.002 . 0 0 "[ . 1 . 2]" 3
44 1 27 CYS HA 1 27 CYS HB2 2.600 . 3.400 2.377 2.257 2.611 . 0 0 "[ . 1 . 2]" 3
45 1 31 LEU HA 1 31 LEU HB3 2.600 . 3.400 2.747 2.328 2.865 . 0 0 "[ . 1 . 2]" 3
46 1 31 LEU HA 1 31 LEU HB2 2.600 . 3.400 2.914 2.613 3.003 . 0 0 "[ . 1 . 2]" 3
47 1 34 GLU HA 1 34 GLU HB3 2.600 . 3.400 2.699 2.331 3.039 . 0 0 "[ . 1 . 2]" 3
48 1 34 GLU HA 1 34 GLU HB2 2.600 . 3.400 2.790 2.401 3.039 . 0 0 "[ . 1 . 2]" 3
49 1 39 SER HA 1 39 SER HB3 2.600 . 3.400 2.552 2.315 2.970 . 0 0 "[ . 1 . 2]" 3
50 1 39 SER HA 1 39 SER HB2 2.600 . 3.400 2.955 2.399 3.036 . 0 0 "[ . 1 . 2]" 3
51 1 40 ARG HA 1 40 ARG QB 2.600 . 3.400 2.467 2.196 2.548 . 0 0 "[ . 1 . 2]" 3
52 1 43 LYS HA 1 43 LYS QB 2.600 . 3.400 2.269 2.175 2.414 . 0 0 "[ . 1 . 2]" 3
53 1 44 ILE HA 1 44 ILE HB 2.600 . 3.400 2.541 2.399 2.951 . 0 0 "[ . 1 . 2]" 3
54 1 45 CYS HA 1 45 CYS HB3 2.600 . 3.400 2.401 2.362 2.458 . 0 0 "[ . 1 . 2]" 3
55 1 45 CYS HA 1 45 CYS HB2 2.600 . 3.400 2.534 2.450 2.571 . 0 0 "[ . 1 . 2]" 3
56 1 46 ARG HA 1 46 ARG QB 2.600 . 3.400 2.504 2.330 2.547 . 0 0 "[ . 1 . 2]" 3
57 1 47 ILE HA 1 47 ILE HB 2.600 . 3.400 2.516 2.459 2.601 . 0 0 "[ . 1 . 2]" 3
58 1 49 ARG HA 1 49 ARG HB3 2.600 . 3.400 2.496 2.248 2.831 . 0 0 "[ . 1 . 2]" 3
59 1 49 ARG HA 1 49 ARG HB2 2.600 . 3.400 2.796 2.431 3.034 . 0 0 "[ . 1 . 2]" 3
60 1 51 ASP HA 1 51 ASP HB3 2.600 . 3.400 2.850 2.376 3.035 . 0 0 "[ . 1 . 2]" 3
61 1 51 ASP HA 1 51 ASP HB2 2.600 . 3.400 2.683 2.418 2.939 . 0 0 "[ . 1 . 2]" 3
62 1 52 MET HA 1 52 MET QB 2.600 . 3.400 2.370 2.182 2.528 . 0 0 "[ . 1 . 2]" 3
63 1 54 ASP HA 1 54 ASP HB3 2.600 . 3.400 2.368 2.290 2.494 . 0 0 "[ . 1 . 2]" 3
64 1 54 ASP HA 1 54 ASP HB2 2.600 . 3.400 2.983 2.678 3.036 . 0 0 "[ . 1 . 2]" 3
65 1 55 ASP HA 1 55 ASP HB3 2.600 . 3.400 2.740 2.364 3.027 . 0 0 "[ . 1 . 2]" 3
66 1 55 ASP HA 1 55 ASP HB2 2.600 . 3.400 2.853 2.551 3.036 . 0 0 "[ . 1 . 2]" 3
67 1 56 ARG HA 1 56 ARG QB 2.600 . 3.400 2.366 2.214 2.536 . 0 0 "[ . 1 . 2]" 3
68 1 61 SER HA 1 61 SER HB2 2.600 . 3.400 2.862 2.356 3.032 . 0 0 "[ . 1 . 2]" 3
69 1 63 ASP HA 1 63 ASP HB3 2.600 . 3.400 2.434 2.321 2.552 . 0 0 "[ . 1 . 2]" 3
70 1 63 ASP HA 1 63 ASP HB2 2.600 . 3.400 3.027 2.996 3.035 . 0 0 "[ . 1 . 2]" 3
71 1 65 PRO HA 1 65 PRO HB2 2.600 . 3.400 2.736 2.734 2.739 . 0 0 "[ . 1 . 2]" 3
72 1 67 TYR HA 1 67 TYR HB3 2.600 . 3.400 2.781 2.307 3.034 . 0 0 "[ . 1 . 2]" 3
73 1 67 TYR HA 1 67 TYR HB2 2.600 . 3.400 2.709 2.363 3.030 . 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 67
_Distance_constraint_stats_list.Viol_total 90.075
_Distance_constraint_stats_list.Viol_max 0.176
_Distance_constraint_stats_list.Viol_rms 0.0415
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0250
_Distance_constraint_stats_list.Viol_average_violations_only 0.0672
_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 0.607 0.172 12 0 "[ . 1 . 2]"
1 15 ASP 1.540 0.129 16 0 "[ . 1 . 2]"
1 20 LYS 1.540 0.129 16 0 "[ . 1 . 2]"
1 22 ARG 0.607 0.172 12 0 "[ . 1 . 2]"
1 32 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.060 0.049 13 0 "[ . 1 . 2]"
1 37 LYS 0.060 0.049 13 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 2.093 0.176 17 0 "[ . 1 . 2]"
1 45 CYS 0.204 0.049 18 0 "[ . 1 . 2]"
1 55 ASP 0.204 0.049 18 0 "[ . 1 . 2]"
1 57 CYS 2.093 0.176 17 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 2.341 1.830 2.672 0.172 12 0 "[ . 1 . 2]" 4
2 1 15 ASP H 1 20 LYS O 2.000 . 2.600 1.724 1.453 2.659 0.059 6 0 "[ . 1 . 2]" 4
3 1 15 ASP O 1 20 LYS H 2.000 . 2.600 2.671 2.586 2.729 0.129 16 0 "[ . 1 . 2]" 4
4 1 34 GLU H 1 37 LYS O 2.000 . 2.500 2.189 1.627 2.414 . 0 0 "[ . 1 . 2]" 4
5 1 34 GLU O 1 37 LYS H 2.000 . 2.500 2.181 1.869 2.549 0.049 13 0 "[ . 1 . 2]" 4
6 1 32 CYS O 1 39 SER H 2.000 . 2.500 1.984 1.508 2.422 . 0 0 "[ . 1 . 2]" 4
7 1 45 CYS H 1 55 ASP O 2.000 . 2.500 2.394 2.093 2.549 0.049 18 0 "[ . 1 . 2]" 4
8 1 43 LYS O 1 57 CYS H 2.000 . 2.500 1.613 1.441 1.762 0.059 17 0 "[ . 1 . 2]" 4
9 1 43 LYS H 1 57 CYS O 2.000 . 2.500 2.598 2.544 2.676 0.176 17 0 "[ . 1 . 2]" 4
stop_
save_
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