NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392908 |
1q7j   |
5948 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q7j
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 761
_Distance_constraint_stats_list.Viol_count 994
_Distance_constraint_stats_list.Viol_total 1268.242
_Distance_constraint_stats_list.Viol_max 0.722
_Distance_constraint_stats_list.Viol_rms 0.0255
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0638
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 CYS 5.843 0.411 13 0 "[ . 1 . 2]"
1 5 ASP 2.156 0.335 1 0 "[ . 1 . 2]"
1 6 CYS 1.627 0.148 11 0 "[ . 1 . 2]"
1 7 SER 0.438 0.067 14 0 "[ . 1 . 2]"
1 8 SER 0.172 0.053 10 0 "[ . 1 . 2]"
1 9 PRO 0.084 0.068 19 0 "[ . 1 . 2]"
1 10 GLU 0.208 0.035 13 0 "[ . 1 . 2]"
1 11 ASN 0.505 0.053 10 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 3.069 0.330 17 0 "[ . 1 . 2]"
1 14 CYS 3.644 0.496 4 0 "[ . 1 . 2]"
1 15 ASP 2.012 0.252 4 0 "[ . 1 . 2]"
1 16 ALA 0.084 0.068 19 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 THR 0.418 0.069 12 0 "[ . 1 . 2]"
1 19 CYS 5.978 0.411 13 0 "[ . 1 . 2]"
1 20 LYS 1.513 0.107 3 0 "[ . 1 . 2]"
1 21 LEU 6.634 0.549 17 1 "[ . 1 . + 2]"
1 22 ARG 1.068 0.357 4 0 "[ . 1 . 2]"
1 23 PRO 0.417 0.146 13 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 3.115 0.227 17 0 "[ . 1 . 2]"
1 26 GLN 2.448 0.292 11 0 "[ . 1 . 2]"
1 27 CYS 1.793 0.195 8 0 "[ . 1 . 2]"
1 28 GLY 1.667 0.549 17 1 "[ . 1 . + 2]"
1 29 GLU 1.791 0.132 1 0 "[ . 1 . 2]"
1 30 GLY 0.198 0.055 12 0 "[ . 1 . 2]"
1 31 LEU 4.633 0.709 5 1 "[ + 1 . 2]"
1 32 CYS 0.676 0.200 17 0 "[ . 1 . 2]"
1 33 CYS 0.844 0.101 12 0 "[ . 1 . 2]"
1 34 GLU 1.469 0.129 9 0 "[ . 1 . 2]"
1 35 GLN 0.987 0.129 9 0 "[ . 1 . 2]"
1 36 CYS 4.411 0.330 17 0 "[ . 1 . 2]"
1 37 LYS 0.894 0.131 11 0 "[ . 1 . 2]"
1 38 PHE 1.625 0.292 11 0 "[ . 1 . 2]"
1 39 SER 1.124 0.454 19 0 "[ . 1 . 2]"
1 40 ARG 1.535 0.089 4 0 "[ . 1 . 2]"
1 41 ALA 3.512 0.214 7 0 "[ . 1 . 2]"
1 42 GLY 0.643 0.178 4 0 "[ . 1 . 2]"
1 43 LYS 4.133 0.454 19 0 "[ . 1 . 2]"
1 44 ILE 3.879 0.620 6 1 "[ .+ 1 . 2]"
1 45 CYS 4.251 0.354 8 0 "[ . 1 . 2]"
1 46 ARG 4.790 0.709 5 2 "[ +- 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 4.965 0.722 4 1 "[ +. 1 . 2]"
1 49 LYS 3.125 0.286 5 0 "[ . 1 . 2]"
1 50 GLY 2.476 0.418 13 0 "[ . 1 . 2]"
1 51 ASP 3.391 0.210 5 0 "[ . 1 . 2]"
1 52 TRP 10.029 0.722 4 1 "[ +. 1 . 2]"
1 53 ASN 0.908 0.272 5 0 "[ . 1 . 2]"
1 54 ASP 1.414 0.141 5 0 "[ . 1 . 2]"
1 55 ASP 1.373 0.375 6 0 "[ . 1 . 2]"
1 56 ARG 4.468 0.214 7 0 "[ . 1 . 2]"
1 57 CYS 2.052 0.202 4 0 "[ . 1 . 2]"
1 58 THR 0.597 0.101 5 0 "[ . 1 . 2]"
1 59 GLY 0.119 0.047 4 0 "[ . 1 . 2]"
1 60 GLN 0.007 0.007 1 0 "[ . 1 . 2]"
1 61 SER 0.752 0.101 5 0 "[ . 1 . 2]"
1 62 ALA 0.349 0.141 8 0 "[ . 1 . 2]"
1 63 ASP 1.176 0.196 8 0 "[ . 1 . 2]"
1 64 CYS 1.305 0.093 12 0 "[ . 1 . 2]"
1 65 PRO 1.081 0.135 6 0 "[ . 1 . 2]"
1 66 ARG 0.327 0.184 1 0 "[ . 1 . 2]"
1 67 TYR 0.050 0.050 15 0 "[ . 1 . 2]"
1 68 HIS 0.577 0.184 1 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 61 SER HA 1 62 ALA H 1.800 . 5.000 2.329 2.188 2.671 . 0 0 "[ . 1 . 2]" 1
2 1 63 ASP HA 1 64 CYS H 1.800 . 2.800 2.637 2.408 2.811 0.011 4 0 "[ . 1 . 2]" 1
3 1 67 TYR HA 1 68 HIS H 1.800 . 5.000 3.295 2.324 3.588 . 0 0 "[ . 1 . 2]" 1
4 1 24 GLY HA2 1 25 ALA H 1.800 . 5.000 3.352 3.025 3.576 . 0 0 "[ . 1 . 2]" 1
5 1 28 GLY HA2 1 29 GLU H 1.800 . 5.000 3.415 3.268 3.515 . 0 0 "[ . 1 . 2]" 1
6 1 30 GLY HA2 1 31 LEU H 1.800 . 2.800 2.542 2.427 2.742 . 0 0 "[ . 1 . 2]" 1
7 1 42 GLY HA2 1 43 LYS H 1.800 . 5.000 3.061 2.973 3.143 . 0 0 "[ . 1 . 2]" 1
8 1 24 GLY HA3 1 25 ALA H 1.800 . 5.000 3.074 2.525 3.473 . 0 0 "[ . 1 . 2]" 1
9 1 28 GLY HA3 1 29 GLU H 1.800 . 5.000 3.140 2.956 3.309 . 0 0 "[ . 1 . 2]" 1
10 1 30 GLY HA3 1 31 LEU H 1.800 . 2.800 2.714 2.526 2.855 0.055 12 0 "[ . 1 . 2]" 1
11 1 1 GLY QA 1 2 LYS H 1.800 . 2.800 2.205 2.159 2.259 . 0 0 "[ . 1 . 2]" 1
12 1 50 GLY HA3 1 51 ASP H 1.800 . 3.800 2.561 2.183 3.362 . 0 0 "[ . 1 . 2]" 1
13 1 50 GLY HA2 1 51 ASP H 1.800 . 3.800 3.282 2.187 3.601 . 0 0 "[ . 1 . 2]" 1
14 1 42 GLY HA3 1 43 LYS H 1.800 . 5.000 3.473 3.424 3.511 . 0 0 "[ . 1 . 2]" 1
15 1 5 ASP H 1 20 LYS H 2.500 2.500 6.000 4.217 3.582 4.596 . 0 0 "[ . 1 . 2]" 1
16 1 5 ASP H 1 21 LEU H 2.500 2.500 6.000 3.904 3.381 4.435 . 0 0 "[ . 1 . 2]" 1
17 1 6 CYS H 1 21 LEU H 2.500 2.500 6.000 4.924 3.731 5.564 . 0 0 "[ . 1 . 2]" 1
18 1 15 ASP H 1 22 ARG H 1.800 . 5.000 3.650 2.294 5.064 0.064 11 0 "[ . 1 . 2]" 1
19 1 15 ASP H 1 20 LYS H 2.500 2.500 6.000 3.473 2.418 4.395 0.082 19 0 "[ . 1 . 2]" 1
20 1 14 CYS H 1 22 ARG H 2.500 2.500 6.000 4.053 3.220 5.360 . 0 0 "[ . 1 . 2]" 1
21 1 26 GLN H 1 38 PHE H 2.500 2.500 6.000 4.146 3.007 4.840 . 0 0 "[ . 1 . 2]" 1
22 1 27 CYS H 1 36 CYS H 2.500 2.500 6.000 5.523 4.767 6.001 0.001 15 0 "[ . 1 . 2]" 1
23 1 27 CYS H 1 38 PHE H 2.500 2.500 6.000 5.160 3.978 5.887 . 0 0 "[ . 1 . 2]" 1
24 1 33 CYS H 1 39 SER H 2.500 2.500 6.000 4.642 3.199 5.456 . 0 0 "[ . 1 . 2]" 1
25 1 34 GLU H 1 39 SER H 2.500 2.500 6.000 2.865 2.463 3.529 0.037 11 0 "[ . 1 . 2]" 1
26 1 26 GLN H 1 37 LYS H 2.500 2.500 6.000 4.111 3.674 4.681 . 0 0 "[ . 1 . 2]" 1
27 1 42 GLY H 1 57 CYS H 2.500 2.500 6.000 3.955 3.474 4.950 . 0 0 "[ . 1 . 2]" 1
28 1 43 LYS H 1 56 ARG H 2.500 2.500 6.000 6.055 5.903 6.146 0.146 15 0 "[ . 1 . 2]" 1
29 1 43 LYS H 1 57 CYS H 1.800 . 5.000 2.346 1.753 3.577 0.047 5 0 "[ . 1 . 2]" 1
30 1 48 ALA H 1 55 ASP H 2.500 2.500 6.000 4.220 3.230 6.038 0.038 4 0 "[ . 1 . 2]" 1
31 1 48 ALA H 1 54 ASP HA 1.800 . 5.000 3.132 2.268 4.473 . 0 0 "[ . 1 . 2]" 1
32 1 48 ALA H 1 54 ASP HB3 2.500 2.500 6.000 4.127 2.500 5.692 . 0 0 "[ . 1 . 2]" 1
33 1 48 ALA H 1 54 ASP HB2 2.500 2.500 6.000 4.766 3.952 5.875 . 0 0 "[ . 1 . 2]" 1
34 1 48 ALA MB 1 53 ASN HB3 2.500 2.500 7.000 5.330 4.661 5.913 . 0 0 "[ . 1 . 2]" 1
35 1 48 ALA MB 1 53 ASN HB2 2.500 2.500 7.000 5.207 4.209 5.861 . 0 0 "[ . 1 . 2]" 1
36 1 46 ARG H 1 55 ASP H 2.500 2.500 6.000 3.721 2.623 4.157 . 0 0 "[ . 1 . 2]" 1
37 1 7 SER H 1 29 GLU HG2 2.500 2.500 6.000 3.743 2.495 6.009 0.009 12 0 "[ . 1 . 2]" 1
38 1 26 GLN HG2 1 38 PHE H 1.800 . 5.000 3.665 1.930 4.890 . 0 0 "[ . 1 . 2]" 1
39 1 26 GLN HG3 1 38 PHE H 1.800 . 5.000 4.294 2.209 5.032 0.032 18 0 "[ . 1 . 2]" 1
40 1 58 THR H 1 65 PRO QG 2.500 2.500 7.000 5.482 4.749 6.253 . 0 0 "[ . 1 . 2]" 1
41 1 13 CYS H 1 25 ALA MB 2.500 2.500 7.000 5.539 3.977 6.143 . 0 0 "[ . 1 . 2]" 1
42 1 21 LEU HG 1 27 CYS H 1.800 . 5.000 4.699 3.847 5.009 0.009 5 0 "[ . 1 . 2]" 1
43 1 21 LEU HG 1 28 GLY H 2.500 2.500 6.000 3.370 2.465 4.189 0.035 8 0 "[ . 1 . 2]" 1
44 1 21 LEU HG 1 29 GLU H 2.500 2.500 6.000 5.352 4.579 6.125 0.125 17 0 "[ . 1 . 2]" 1
45 1 6 CYS H 1 21 LEU MD2 2.500 2.500 7.000 5.704 5.295 5.919 . 0 0 "[ . 1 . 2]" 1
46 1 13 CYS H 1 21 LEU MD2 2.500 2.500 7.000 4.986 4.516 5.941 . 0 0 "[ . 1 . 2]" 1
47 1 14 CYS H 1 21 LEU MD2 2.500 2.500 7.000 4.452 4.148 5.425 . 0 0 "[ . 1 . 2]" 1
48 1 15 ASP H 1 21 LEU MD2 2.500 2.500 7.000 5.042 4.435 5.965 . 0 0 "[ . 1 . 2]" 1
49 1 21 LEU MD2 1 27 CYS H 1.800 . 6.000 2.425 1.843 3.849 . 0 0 "[ . 1 . 2]" 1
50 1 21 LEU MD2 1 29 GLU H 2.500 2.500 6.500 4.305 3.537 4.701 . 0 0 "[ . 1 . 2]" 1
51 1 44 ILE H 1 56 ARG HD2 2.500 2.500 6.000 5.059 3.889 5.996 . 0 0 "[ . 1 . 2]" 1
52 1 21 LEU MD1 1 27 CYS H 1.800 . 6.000 2.900 2.063 4.564 . 0 0 "[ . 1 . 2]" 1
53 1 21 LEU MD1 1 28 GLY H 1.800 . 6.000 3.242 2.332 4.195 . 0 0 "[ . 1 . 2]" 1
54 1 21 LEU MD1 1 29 GLU H 2.500 2.500 7.000 4.946 4.169 5.879 . 0 0 "[ . 1 . 2]" 1
55 1 58 THR H 1 65 PRO HD3 2.500 2.500 6.000 5.291 4.812 5.849 . 0 0 "[ . 1 . 2]" 1
56 1 31 LEU QD 1 46 ARG H 2.500 2.500 7.000 4.443 4.132 4.986 . 0 0 "[ . 1 . 2]" 1
57 1 27 CYS HB3 1 62 ALA H 2.500 2.500 6.000 5.485 4.574 6.030 0.030 15 0 "[ . 1 . 2]" 1
58 1 27 CYS HB2 1 62 ALA H 2.500 2.500 6.000 5.509 4.667 6.035 0.035 6 0 "[ . 1 . 2]" 1
59 1 31 LEU QD 1 64 CYS H 1.800 . 7.400 3.720 3.163 4.194 . 0 0 "[ . 1 . 2]" 1
60 1 5 ASP H 1 19 CYS HB2 2.500 2.500 6.000 5.336 4.344 5.800 . 0 0 "[ . 1 . 2]" 1
61 1 5 ASP H 1 20 LYS HB2 1.800 . 5.000 4.349 4.149 4.804 . 0 0 "[ . 1 . 2]" 1
62 1 6 CYS H 1 19 CYS HB2 2.500 2.500 6.000 5.483 3.603 6.148 0.148 11 0 "[ . 1 . 2]" 1
63 1 14 CYS HB2 1 22 ARG H 2.500 2.500 6.000 4.757 4.106 5.736 . 0 0 "[ . 1 . 2]" 1
64 1 25 ALA H 1 36 CYS HB2 2.500 2.500 6.000 5.836 4.746 6.075 0.075 16 0 "[ . 1 . 2]" 1
65 1 26 GLN H 1 36 CYS HB2 2.500 2.500 6.000 5.158 3.677 5.708 . 0 0 "[ . 1 . 2]" 1
66 1 26 GLN H 1 38 PHE HB2 2.500 2.500 6.000 5.995 5.832 6.292 0.292 11 0 "[ . 1 . 2]" 1
67 1 13 CYS HB2 1 28 GLY H 2.500 2.500 6.000 5.588 4.893 6.007 0.007 17 0 "[ . 1 . 2]" 1
68 1 31 LEU H 1 45 CYS HB2 2.500 2.500 6.000 5.484 4.987 6.354 0.354 8 0 "[ . 1 . 2]" 1
69 1 31 LEU H 1 63 ASP HB2 2.500 2.500 6.000 5.064 4.657 5.443 . 0 0 "[ . 1 . 2]" 1
70 1 31 LEU H 1 64 CYS HB2 1.800 . 5.000 4.809 4.549 5.076 0.076 4 0 "[ . 1 . 2]" 1
71 1 32 CYS H 1 64 CYS HB2 2.500 2.500 6.000 4.768 4.052 5.614 . 0 0 "[ . 1 . 2]" 1
72 1 26 GLN HB2 1 38 PHE H 1.800 . 5.000 2.691 1.877 4.607 . 0 0 "[ . 1 . 2]" 1
73 1 32 CYS HB2 1 39 SER H 2.500 2.500 6.000 4.134 3.301 5.118 . 0 0 "[ . 1 . 2]" 1
74 1 33 CYS HB2 1 39 SER H 2.500 2.500 6.000 5.023 3.938 5.986 . 0 0 "[ . 1 . 2]" 1
75 1 41 ALA H 1 57 CYS HB2 2.500 2.500 6.000 5.836 5.349 6.202 0.202 4 0 "[ . 1 . 2]" 1
76 1 42 GLY H 1 56 ARG HB2 1.800 . 5.000 4.199 3.145 5.178 0.178 4 0 "[ . 1 . 2]" 1
77 1 43 LYS H 1 57 CYS HB2 1.800 . 5.000 3.198 2.788 4.244 . 0 0 "[ . 1 . 2]" 1
78 1 45 CYS H 1 56 ARG QB 1.800 . 6.000 5.054 4.654 5.403 . 0 0 "[ . 1 . 2]" 1
79 1 38 PHE HB2 1 61 SER H 2.500 2.500 6.000 5.578 4.769 6.057 0.057 5 0 "[ . 1 . 2]" 1
80 1 31 LEU HB2 1 64 CYS H 2.500 2.500 6.000 3.052 2.541 3.382 . 0 0 "[ . 1 . 2]" 1
81 1 66 ARG HB2 1 67 TYR H 1.800 . 5.000 3.430 1.874 4.550 . 0 0 "[ . 1 . 2]" 1
82 1 5 ASP H 1 19 CYS HB3 2.500 2.500 6.000 4.491 3.746 6.052 0.052 7 0 "[ . 1 . 2]" 1
83 1 5 ASP H 1 20 LYS HB3 2.500 2.500 6.000 4.104 3.503 4.402 . 0 0 "[ . 1 . 2]" 1
84 1 6 CYS H 1 19 CYS HB3 2.500 2.500 6.000 4.955 4.540 6.043 0.043 1 0 "[ . 1 . 2]" 1
85 1 7 SER H 1 29 GLU HB3 2.500 2.500 6.000 4.749 3.790 5.902 . 0 0 "[ . 1 . 2]" 1
86 1 14 CYS HB3 1 22 ARG H 2.500 2.500 6.000 4.602 3.900 5.332 . 0 0 "[ . 1 . 2]" 1
87 1 25 ALA H 1 36 CYS HB3 2.500 2.500 6.000 4.336 3.354 4.654 . 0 0 "[ . 1 . 2]" 1
88 1 26 GLN H 1 36 CYS HB3 2.500 2.500 6.000 3.944 3.591 4.442 . 0 0 "[ . 1 . 2]" 1
89 1 27 CYS H 1 36 CYS HB3 1.800 . 5.000 4.487 3.597 5.013 0.013 11 0 "[ . 1 . 2]" 1
90 1 31 LEU H 1 45 CYS HB3 2.500 2.500 6.000 5.814 5.509 6.159 0.159 4 0 "[ . 1 . 2]" 1
91 1 31 LEU H 1 63 ASP HB3 2.500 2.500 6.000 4.087 3.452 4.990 . 0 0 "[ . 1 . 2]" 1
92 1 31 LEU H 1 64 CYS HB3 2.500 2.500 6.000 4.856 3.558 5.427 . 0 0 "[ . 1 . 2]" 1
93 1 32 CYS H 1 64 CYS HB3 2.500 2.500 6.000 5.581 4.043 6.032 0.032 17 0 "[ . 1 . 2]" 1
94 1 33 CYS H 1 62 ALA MB 1.800 . 6.000 4.515 3.324 4.927 . 0 0 "[ . 1 . 2]" 1
95 1 26 GLN HB3 1 37 LYS H 2.500 2.500 6.000 5.549 4.765 6.131 0.131 11 0 "[ . 1 . 2]" 1
96 1 43 LYS H 1 57 CYS HB3 1.800 . 5.000 4.397 2.589 4.893 . 0 0 "[ . 1 . 2]" 1
97 1 45 CYS H 1 56 ARG QG 1.800 . 6.000 4.897 3.973 5.173 . 0 0 "[ . 1 . 2]" 1
98 1 38 PHE HB3 1 61 SER H 2.500 2.500 6.000 4.153 3.653 6.044 0.044 11 0 "[ . 1 . 2]" 1
99 1 31 LEU HB3 1 64 CYS H 1.800 . 5.000 4.343 3.755 4.851 . 0 0 "[ . 1 . 2]" 1
100 1 15 ASP H 1 21 LEU QB 2.500 2.500 7.000 4.796 3.406 5.785 . 0 0 "[ . 1 . 2]" 1
101 1 5 ASP QB 1 20 LYS H 2.500 2.500 7.000 4.204 3.674 4.918 . 0 0 "[ . 1 . 2]" 1
102 1 14 CYS QB 1 20 LYS H 2.500 2.500 7.000 3.737 2.589 5.272 . 0 0 "[ . 1 . 2]" 1
103 1 15 ASP QB 1 20 LYS H 1.800 . 6.000 3.178 2.527 3.564 . 0 0 "[ . 1 . 2]" 1
104 1 5 ASP QB 1 21 LEU H 1.800 . 6.000 2.096 1.765 2.620 0.035 8 0 "[ . 1 . 2]" 1
105 1 21 LEU QB 1 27 CYS H 2.500 2.500 7.000 4.791 4.325 5.396 . 0 0 "[ . 1 . 2]" 1
106 1 21 LEU QB 1 28 GLY H 2.500 2.500 7.000 5.019 3.923 5.752 . 0 0 "[ . 1 . 2]" 1
107 1 28 GLY H 1 62 ALA MB 1.800 . 6.000 4.600 4.019 5.054 . 0 0 "[ . 1 . 2]" 1
108 1 29 GLU H 1 62 ALA MB 1.800 . 6.000 4.169 3.798 4.583 . 0 0 "[ . 1 . 2]" 1
109 1 46 ARG H 1 54 ASP HB3 2.500 2.500 7.000 5.334 4.174 6.619 . 0 0 "[ . 1 . 2]" 1
110 1 46 ARG H 1 54 ASP HB2 2.500 2.500 7.000 5.694 4.383 6.958 . 0 0 "[ . 1 . 2]" 1
111 1 46 ARG H 1 55 ASP HB2 1.800 . 6.000 3.183 2.138 4.747 . 0 0 "[ . 1 . 2]" 1
112 1 41 ALA MB 1 59 GLY H 1.800 . 6.000 2.427 1.927 2.872 . 0 0 "[ . 1 . 2]" 1
113 1 41 ALA MB 1 60 GLN H 2.500 2.500 7.000 4.302 4.049 4.550 . 0 0 "[ . 1 . 2]" 1
114 1 13 CYS H 1 28 GLY HA2 2.500 2.500 6.000 4.778 4.442 5.163 . 0 0 "[ . 1 . 2]" 1
115 1 42 GLY QA 1 57 CYS H 2.500 2.500 7.000 4.190 3.468 5.471 . 0 0 "[ . 1 . 2]" 1
116 1 5 ASP H 1 19 CYS HA 2.500 2.500 6.000 4.873 4.084 5.423 . 0 0 "[ . 1 . 2]" 1
117 1 6 CYS H 1 19 CYS HA 2.500 2.500 7.000 4.146 3.870 4.822 . 0 0 "[ . 1 . 2]" 1
118 1 14 CYS H 1 21 LEU HA 2.500 2.500 6.000 4.413 4.210 4.736 . 0 0 "[ . 1 . 2]" 1
119 1 14 CYS HA 1 20 LYS H 2.500 2.500 6.000 4.632 4.052 5.841 . 0 0 "[ . 1 . 2]" 1
120 1 14 CYS HA 1 21 LEU H 2.500 2.500 6.000 4.176 3.885 4.904 . 0 0 "[ . 1 . 2]" 1
121 1 14 CYS HA 1 22 ARG H 1.800 . 2.800 2.474 1.836 2.886 0.086 17 0 "[ . 1 . 2]" 1
122 1 26 GLN H 1 37 LYS HA 1.800 . 5.000 2.693 2.318 3.071 . 0 0 "[ . 1 . 2]" 1
123 1 27 CYS H 1 37 LYS HA 1.800 . 5.000 4.096 3.409 4.605 . 0 0 "[ . 1 . 2]" 1
124 1 31 LEU H 1 64 CYS HA 2.500 2.500 6.000 5.803 5.199 6.017 0.017 12 0 "[ . 1 . 2]" 1
125 1 32 CYS H 1 63 ASP HA 1.800 . 5.000 3.264 2.719 3.783 . 0 0 "[ . 1 . 2]" 1
126 1 34 GLU H 1 39 SER HA 2.500 2.500 6.000 3.383 2.735 4.406 . 0 0 "[ . 1 . 2]" 1
127 1 25 ALA HA 1 37 LYS H 2.500 2.500 6.000 5.557 4.328 6.087 0.087 19 0 "[ . 1 . 2]" 1
128 1 26 GLN HA 1 38 PHE H 2.500 2.500 6.000 5.142 4.547 6.028 0.028 5 0 "[ . 1 . 2]" 1
129 1 33 CYS HA 1 38 PHE H 2.500 2.500 6.000 5.235 4.125 5.840 . 0 0 "[ . 1 . 2]" 1
130 1 33 CYS HA 1 39 SER H 1.800 . 5.000 2.566 1.853 3.448 . 0 0 "[ . 1 . 2]" 1
131 1 43 LYS H 1 57 CYS HA 1.800 . 5.000 4.585 4.197 4.974 . 0 0 "[ . 1 . 2]" 1
132 1 44 ILE H 1 56 ARG HA 2.500 2.500 6.000 4.417 4.235 4.772 . 0 0 "[ . 1 . 2]" 1
133 1 45 CYS H 1 56 ARG HA 1.800 . 5.000 3.144 2.765 3.522 . 0 0 "[ . 1 . 2]" 1
134 1 46 ARG H 1 54 ASP HA 2.500 2.500 6.000 5.875 4.284 6.063 0.063 13 0 "[ . 1 . 2]" 1
135 1 46 ARG H 1 55 ASP HA 2.500 2.500 6.000 5.228 4.681 6.009 0.009 8 0 "[ . 1 . 2]" 1
136 1 46 ARG H 1 56 ARG HA 2.500 2.500 6.000 4.973 4.451 5.225 . 0 0 "[ . 1 . 2]" 1
137 1 44 ILE HA 1 55 ASP H 2.500 2.500 6.000 4.593 3.918 5.485 . 0 0 "[ . 1 . 2]" 1
138 1 46 ARG QB 1 55 ASP H 2.500 2.500 7.000 3.893 3.229 4.470 . 0 0 "[ . 1 . 2]" 1
139 1 48 ALA MB 1 55 ASP H 2.500 2.500 6.000 4.459 3.706 4.829 . 0 0 "[ . 1 . 2]" 1
140 1 44 ILE QG 1 55 ASP H 2.500 2.500 6.500 4.792 4.051 5.851 . 0 0 "[ . 1 . 2]" 1
141 1 44 ILE MD 1 55 ASP H 2.500 2.500 6.500 2.685 2.125 3.616 0.375 6 0 "[ . 1 . 2]" 1
142 1 44 ILE QG 1 55 ASP H 2.500 2.500 6.500 4.383 3.675 4.989 . 0 0 "[ . 1 . 2]" 1
143 1 48 ALA MB 1 53 ASN H 2.500 2.500 6.500 4.115 2.228 4.884 0.272 5 0 "[ . 1 . 2]" 1
144 1 44 ILE HA 1 56 ARG H 2.500 2.500 6.000 4.926 4.694 5.349 . 0 0 "[ . 1 . 2]" 1
145 1 41 ALA HA 1 57 CYS H 2.500 2.500 6.000 4.347 3.747 5.364 . 0 0 "[ . 1 . 2]" 1
146 1 44 ILE HA 1 57 CYS H 1.800 . 5.000 4.181 3.822 4.330 . 0 0 "[ . 1 . 2]" 1
147 1 41 ALA HA 1 58 THR H 2.500 2.500 6.000 3.966 3.383 4.241 . 0 0 "[ . 1 . 2]" 1
148 1 58 THR H 1 64 CYS HA 2.500 2.500 6.000 5.642 5.312 6.012 0.012 5 0 "[ . 1 . 2]" 1
149 1 41 ALA HA 1 60 GLN H 2.500 2.500 6.000 4.967 4.628 5.257 . 0 0 "[ . 1 . 2]" 1
150 1 31 LEU HA 1 64 CYS H 2.500 2.500 6.000 5.857 5.420 6.073 0.073 4 0 "[ . 1 . 2]" 1
151 1 21 LEU MD2 1 28 GLY H 1.800 . 6.000 2.751 1.913 3.383 . 0 0 "[ . 1 . 2]" 1
152 1 3 GLU HA 1 20 LYS QD 1.800 . 6.000 4.166 2.561 4.800 . 0 0 "[ . 1 . 2]" 1
153 1 3 GLU HA 1 20 LYS QG 1.800 . 3.800 3.457 3.172 3.546 . 0 0 "[ . 1 . 2]" 1
154 1 4 CYS HA 1 19 CYS HA 2.500 2.500 6.000 3.588 3.032 4.579 . 0 0 "[ . 1 . 2]" 1
155 1 4 CYS HA 1 19 CYS HB3 1.800 . 5.000 2.413 1.762 4.628 0.038 5 0 "[ . 1 . 2]" 1
156 1 4 CYS HA 1 19 CYS HB2 1.800 . 5.000 3.356 2.555 3.739 . 0 0 "[ . 1 . 2]" 1
157 1 4 CYS HA 1 20 LYS HB3 2.500 2.500 7.000 5.386 4.587 6.022 . 0 0 "[ . 1 . 2]" 1
158 1 4 CYS HA 1 20 LYS HB2 1.800 . 5.000 4.835 4.399 5.107 0.107 3 0 "[ . 1 . 2]" 1
159 1 4 CYS HA 1 20 LYS QG 1.800 . 5.000 3.062 2.185 3.705 . 0 0 "[ . 1 . 2]" 1
160 1 4 CYS HB3 1 19 CYS HB2 1.800 . 5.000 4.442 1.879 5.186 0.186 19 0 "[ . 1 . 2]" 1
161 1 5 ASP HA 1 20 LYS HB3 2.500 2.500 6.000 5.933 5.587 6.091 0.091 12 0 "[ . 1 . 2]" 1
162 1 5 ASP HA 1 21 LEU MD2 2.500 2.500 7.000 5.725 4.855 5.976 . 0 0 "[ . 1 . 2]" 1
163 1 5 ASP QB 1 20 LYS HB3 1.800 . 3.800 3.329 3.161 3.437 . 0 0 "[ . 1 . 2]" 1
164 1 5 ASP QB 1 21 LEU HG 2.500 2.500 7.000 2.721 2.165 5.092 0.335 1 0 "[ . 1 . 2]" 1
165 1 5 ASP QB 1 21 LEU MD1 1.800 . 7.000 3.329 1.819 4.698 . 0 0 "[ . 1 . 2]" 1
166 1 5 ASP QB 1 21 LEU MD2 1.800 . 7.000 3.683 2.897 3.942 . 0 0 "[ . 1 . 2]" 1
167 1 6 CYS HA 1 28 GLY HA3 2.500 2.500 6.000 4.508 2.444 5.740 0.056 4 0 "[ . 1 . 2]" 1
168 1 6 CYS HA 1 28 GLY HA2 2.500 2.500 7.000 6.060 4.019 7.028 0.028 13 0 "[ . 1 . 2]" 1
169 1 6 CYS HA 1 14 CYS QB 2.500 2.500 7.000 4.252 3.933 4.609 . 0 0 "[ . 1 . 2]" 1
170 1 6 CYS HA 1 29 GLU HB3 1.800 . 5.000 4.346 2.524 5.021 0.021 13 0 "[ . 1 . 2]" 1
171 1 6 CYS HA 1 29 GLU QG 1.800 . 6.000 2.793 1.968 4.849 . 0 0 "[ . 1 . 2]" 1
172 1 6 CYS HB2 1 21 LEU MD2 2.500 2.500 7.000 5.337 4.524 5.770 . 0 0 "[ . 1 . 2]" 1
173 1 9 PRO HA 1 16 ALA HA 1.800 . 5.000 3.490 2.921 4.609 . 0 0 "[ . 1 . 2]" 1
174 1 9 PRO HA 1 14 CYS QB 2.500 2.500 7.000 5.714 4.557 6.292 . 0 0 "[ . 1 . 2]" 1
175 1 9 PRO HA 1 16 ALA MB 1.800 . 6.000 2.294 1.732 3.436 0.068 19 0 "[ . 1 . 2]" 1
176 1 9 PRO HB3 1 16 ALA MB 1.800 . 6.000 2.803 1.867 3.929 . 0 0 "[ . 1 . 2]" 1
177 1 13 CYS HA 1 36 CYS HB3 2.500 2.500 6.000 4.347 2.428 5.396 0.072 19 0 "[ . 1 . 2]" 1
178 1 13 CYS HA 1 21 LEU HG 2.500 2.500 6.000 5.942 4.224 6.142 0.142 3 0 "[ . 1 . 2]" 1
179 1 13 CYS HA 1 21 LEU QB 2.500 2.500 7.000 5.163 3.863 6.135 . 0 0 "[ . 1 . 2]" 1
180 1 13 CYS HA 1 21 LEU MD1 2.500 2.500 7.000 5.682 3.152 6.071 . 0 0 "[ . 1 . 2]" 1
181 1 13 CYS HA 1 21 LEU MD2 1.800 . 6.000 3.486 3.059 4.813 . 0 0 "[ . 1 . 2]" 1
182 1 13 CYS HB3 1 29 GLU HB3 2.500 2.500 6.000 6.003 5.702 6.132 0.132 1 0 "[ . 1 . 2]" 1
183 1 13 CYS HB3 1 29 GLU QG 2.500 2.500 7.000 6.038 5.012 6.322 . 0 0 "[ . 1 . 2]" 1
184 1 13 CYS HB3 1 21 LEU MD1 2.500 2.500 7.000 4.789 3.248 5.438 . 0 0 "[ . 1 . 2]" 1
185 1 13 CYS HB3 1 21 LEU MD2 1.800 . 6.000 2.662 1.964 4.372 . 0 0 "[ . 1 . 2]" 1
186 1 13 CYS HB2 1 25 ALA MB 1.800 . 6.000 4.443 3.584 5.109 . 0 0 "[ . 1 . 2]" 1
187 1 14 CYS HA 1 22 ARG HA 1.800 . 5.000 4.278 3.621 5.357 0.357 4 0 "[ . 1 . 2]" 1
188 1 14 CYS HA 1 21 LEU HA 1.800 . 5.000 1.881 1.592 2.783 0.208 4 0 "[ . 1 . 2]" 1
189 1 6 CYS HB3 1 14 CYS HA 2.500 2.500 6.000 4.628 2.486 5.987 0.014 6 0 "[ . 1 . 2]" 1
190 1 14 CYS HA 1 22 ARG QB 1.800 . 6.000 3.523 3.033 5.271 . 0 0 "[ . 1 . 2]" 1
191 1 14 CYS HA 1 21 LEU HG 1.800 . 5.000 4.154 2.971 5.143 0.143 19 0 "[ . 1 . 2]" 1
192 1 14 CYS HA 1 21 LEU QB 1.800 . 6.000 3.760 1.737 4.893 0.063 8 0 "[ . 1 . 2]" 1
193 1 14 CYS HA 1 21 LEU MD1 2.500 2.500 7.000 4.871 2.718 5.839 . 0 0 "[ . 1 . 2]" 1
194 1 14 CYS HA 1 21 LEU MD2 1.800 . 6.000 3.409 3.038 4.471 . 0 0 "[ . 1 . 2]" 1
195 1 14 CYS QB 1 21 LEU HG 2.500 2.500 7.000 4.027 3.011 6.090 . 0 0 "[ . 1 . 2]" 1
196 1 14 CYS QB 1 21 LEU MD2 2.500 2.500 8.000 3.557 3.002 4.398 . 0 0 "[ . 1 . 2]" 1
197 1 15 ASP HB2 1 20 LYS QB 1.800 . 6.000 4.310 3.909 4.744 . 0 0 "[ . 1 . 2]" 1
198 1 15 ASP HB2 1 20 LYS QG 2.500 2.500 7.000 6.226 5.798 6.388 . 0 0 "[ . 1 . 2]" 1
199 1 15 ASP HB2 1 21 LEU QB 2.500 2.500 7.000 5.688 4.991 6.286 . 0 0 "[ . 1 . 2]" 1
200 1 9 PRO HB3 1 16 ALA HA 1.800 . 5.000 4.472 3.787 5.015 0.015 10 0 "[ . 1 . 2]" 1
201 1 4 CYS HB3 1 19 CYS HA 1.800 . 5.000 5.014 4.404 5.411 0.411 13 0 "[ . 1 . 2]" 1
202 1 4 CYS HB3 1 19 CYS HB3 1.800 . 5.000 3.836 3.339 4.292 . 0 0 "[ . 1 . 2]" 1
203 1 4 CYS HB2 1 19 CYS HB2 1.800 . 5.000 4.105 3.250 5.316 0.316 14 0 "[ . 1 . 2]" 1
204 1 4 CYS HB3 1 20 LYS HA 2.500 2.500 7.000 5.566 4.179 6.032 . 0 0 "[ . 1 . 2]" 1
205 1 5 ASP QB 1 20 LYS HA 1.800 . 5.000 1.964 1.751 2.535 0.049 3 0 "[ . 1 . 2]" 1
206 1 15 ASP HB3 1 21 LEU HA 2.500 2.500 6.000 5.804 4.518 6.104 0.104 3 0 "[ . 1 . 2]" 1
207 1 15 ASP HB2 1 21 LEU HA 2.500 2.500 6.000 4.964 3.403 5.732 . 0 0 "[ . 1 . 2]" 1
208 1 14 CYS QB 1 21 LEU HA 2.500 2.500 7.000 2.911 2.004 4.584 0.496 4 0 "[ . 1 . 2]" 1
209 1 25 ALA HA 1 36 CYS HB3 1.800 . 5.000 3.319 1.796 4.356 0.004 4 0 "[ . 1 . 2]" 1
210 1 25 ALA HA 1 36 CYS HB2 1.800 . 5.000 4.612 3.255 5.227 0.227 17 0 "[ . 1 . 2]" 1
211 1 25 ALA HA 1 37 LYS QE 1.800 . 6.000 4.194 3.000 5.083 . 0 0 "[ . 1 . 2]" 1
212 1 21 LEU HG 1 26 GLN HA 2.500 2.500 6.000 5.968 5.287 6.175 0.175 17 0 "[ . 1 . 2]" 1
213 1 21 LEU HA 1 27 CYS HA 2.500 2.500 6.500 5.862 5.323 6.695 0.195 8 0 "[ . 1 . 2]" 1
214 1 27 CYS HA 1 33 CYS HB3 2.500 2.500 6.000 5.873 4.899 6.101 0.101 12 0 "[ . 1 . 2]" 1
215 1 27 CYS HA 1 62 ALA MB 1.800 . 6.000 4.005 3.250 4.530 . 0 0 "[ . 1 . 2]" 1
216 1 21 LEU QB 1 27 CYS HA 1.800 . 6.000 4.652 4.179 4.996 . 0 0 "[ . 1 . 2]" 1
217 1 21 LEU MD1 1 27 CYS HA 1.800 . 5.000 2.260 1.841 3.375 . 0 0 "[ . 1 . 2]" 1
218 1 21 LEU MD2 1 27 CYS HA 1.800 . 3.800 2.737 1.752 3.074 0.048 17 0 "[ . 1 . 2]" 1
219 1 27 CYS HB3 1 33 CYS HB2 1.800 . 5.000 4.260 2.776 5.054 0.054 14 0 "[ . 1 . 2]" 1
220 1 27 CYS HB3 1 62 ALA MB 1.800 . 3.800 2.502 1.988 2.968 . 0 0 "[ . 1 . 2]" 1
221 1 21 LEU MD1 1 27 CYS HB3 2.500 2.500 7.000 4.250 3.619 5.350 . 0 0 "[ . 1 . 2]" 1
222 1 21 LEU MD2 1 27 CYS HB3 2.500 2.500 7.000 4.502 3.708 4.946 . 0 0 "[ . 1 . 2]" 1
223 1 27 CYS HB2 1 62 ALA MB 1.800 . 3.800 2.366 1.809 2.864 . 0 0 "[ . 1 . 2]" 1
224 1 21 LEU MD1 1 27 CYS HB2 1.800 . 6.000 4.176 3.387 4.989 . 0 0 "[ . 1 . 2]" 1
225 1 21 LEU MD2 1 27 CYS HB2 1.800 . 6.000 4.401 3.547 4.863 . 0 0 "[ . 1 . 2]" 1
226 1 13 CYS HB2 1 28 GLY HA3 1.800 . 5.000 3.751 3.110 4.574 . 0 0 "[ . 1 . 2]" 1
227 1 21 LEU MD1 1 28 GLY HA3 2.500 2.500 7.000 4.254 1.951 4.807 0.549 17 1 "[ . 1 . + 2]" 1
228 1 21 LEU MD2 1 28 GLY HA3 1.800 . 6.000 2.604 1.852 3.916 . 0 0 "[ . 1 . 2]" 1
229 1 13 CYS HB3 1 28 GLY HA2 1.800 . 5.000 2.010 1.775 2.485 0.025 1 0 "[ . 1 . 2]" 1
230 1 5 ASP QB 1 28 GLY HA2 2.500 2.500 7.000 5.651 4.418 6.120 . 0 0 "[ . 1 . 2]" 1
231 1 13 CYS HB2 1 28 GLY HA2 1.800 . 5.000 2.765 1.934 3.318 . 0 0 "[ . 1 . 2]" 1
232 1 21 LEU HG 1 28 GLY HA2 2.500 2.500 6.000 4.495 3.531 5.066 . 0 0 "[ . 1 . 2]" 1
233 1 21 LEU MD1 1 28 GLY HA2 2.500 2.500 7.000 4.478 3.123 5.270 . 0 0 "[ . 1 . 2]" 1
234 1 21 LEU MD2 1 28 GLY HA2 1.800 . 6.000 2.684 2.216 3.262 . 0 0 "[ . 1 . 2]" 1
235 1 30 GLY HA3 1 62 ALA MB 1.800 . 3.800 2.696 2.078 3.045 . 0 0 "[ . 1 . 2]" 1
236 1 30 GLY HA2 1 62 ALA MB 1.800 . 6.000 4.127 3.539 4.399 . 0 0 "[ . 1 . 2]" 1
237 1 31 LEU HA 1 64 CYS HB2 2.500 2.500 6.000 5.321 4.931 5.867 . 0 0 "[ . 1 . 2]" 1
238 1 32 CYS HA 1 62 ALA HA 1.800 . 5.000 4.838 4.181 5.141 0.141 8 0 "[ . 1 . 2]" 1
239 1 32 CYS HA 1 39 SER HB3 1.800 . 5.000 3.532 2.913 4.957 . 0 0 "[ . 1 . 2]" 1
240 1 32 CYS HA 1 39 SER HB2 1.800 . 5.000 3.726 2.491 4.885 . 0 0 "[ . 1 . 2]" 1
241 1 32 CYS HA 1 43 LYS QE 2.500 2.500 7.000 3.105 2.300 4.292 0.200 17 0 "[ . 1 . 2]" 1
242 1 32 CYS HA 1 57 CYS HB2 2.500 2.500 6.000 4.825 2.338 5.538 0.162 4 0 "[ . 1 . 2]" 1
243 1 32 CYS HB2 1 62 ALA MB 1.800 . 6.000 4.459 3.316 5.154 . 0 0 "[ . 1 . 2]" 1
244 1 32 CYS HB2 1 43 LYS HG3 2.500 2.500 6.000 5.097 4.208 6.011 0.011 10 0 "[ . 1 . 2]" 1
245 1 33 CYS HA 1 38 PHE HA 1.800 . 5.000 3.052 1.816 3.654 . 0 0 "[ . 1 . 2]" 1
246 1 33 CYS HA 1 62 ALA HA 2.500 2.500 6.000 3.711 3.132 4.249 . 0 0 "[ . 1 . 2]" 1
247 1 33 CYS HA 1 39 SER HA 2.500 2.500 6.000 4.581 3.559 5.550 . 0 0 "[ . 1 . 2]" 1
248 1 27 CYS HB3 1 33 CYS HA 2.500 2.500 6.000 4.406 3.367 5.748 . 0 0 "[ . 1 . 2]" 1
249 1 27 CYS HB2 1 33 CYS HA 2.500 2.500 6.000 4.715 3.306 6.044 0.044 4 0 "[ . 1 . 2]" 1
250 1 33 CYS HA 1 39 SER HB2 2.500 2.500 6.000 4.816 3.314 5.910 . 0 0 "[ . 1 . 2]" 1
251 1 13 CYS HB3 1 36 CYS HB3 1.800 . 5.000 4.734 1.971 5.330 0.330 17 0 "[ . 1 . 2]" 1
252 1 13 CYS HB2 1 36 CYS HB3 2.500 2.500 6.000 5.028 3.634 6.090 0.090 1 0 "[ . 1 . 2]" 1
253 1 25 ALA MB 1 36 CYS HB3 1.800 . 3.800 1.711 1.655 1.896 0.145 8 0 "[ . 1 . 2]" 1
254 1 21 LEU MD2 1 36 CYS HB3 2.500 2.500 7.000 4.432 3.999 5.072 . 0 0 "[ . 1 . 2]" 1
255 1 25 ALA MB 1 36 CYS HB2 1.800 . 3.800 3.007 1.701 3.146 0.099 19 0 "[ . 1 . 2]" 1
256 1 21 LEU MD2 1 36 CYS HB2 2.500 2.500 7.000 5.597 4.630 5.956 . 0 0 "[ . 1 . 2]" 1
257 1 26 GLN HA 1 37 LYS HA 1.800 . 5.000 4.875 4.539 5.091 0.091 5 0 "[ . 1 . 2]" 1
258 1 26 GLN HB3 1 37 LYS HA 1.800 . 5.000 3.636 3.010 4.173 . 0 0 "[ . 1 . 2]" 1
259 1 26 GLN HB2 1 37 LYS HA 1.800 . 5.000 2.811 1.952 4.851 . 0 0 "[ . 1 . 2]" 1
260 1 26 GLN HB3 1 38 PHE HA 2.500 2.500 6.000 4.064 3.393 5.415 . 0 0 "[ . 1 . 2]" 1
261 1 26 GLN HB2 1 38 PHE HA 2.500 2.500 6.000 4.558 3.265 5.270 . 0 0 "[ . 1 . 2]" 1
262 1 38 PHE HB2 1 60 GLN QG 2.500 2.500 7.000 5.433 3.912 6.276 . 0 0 "[ . 1 . 2]" 1
263 1 34 GLU QG 1 39 SER HA 1.800 . 6.000 3.721 1.953 5.426 . 0 0 "[ . 1 . 2]" 1
264 1 34 GLU HB3 1 39 SER HA 2.500 2.500 6.000 4.215 2.722 5.412 . 0 0 "[ . 1 . 2]" 1
265 1 34 GLU HB2 1 39 SER HA 1.800 . 5.000 3.429 1.921 5.055 0.055 4 0 "[ . 1 . 2]" 1
266 1 39 SER HB2 1 57 CYS HB2 1.800 . 5.000 4.501 3.930 5.035 0.035 8 0 "[ . 1 . 2]" 1
267 1 32 CYS HB2 1 39 SER HB2 1.800 . 5.000 4.064 3.030 5.007 0.007 10 0 "[ . 1 . 2]" 1
268 1 40 ARG HA 1 59 GLY HA3 1.800 . 5.000 4.083 3.078 5.041 0.041 4 0 "[ . 1 . 2]" 1
269 1 41 ALA HA 1 57 CYS HB2 1.800 . 5.000 3.665 3.239 4.386 . 0 0 "[ . 1 . 2]" 1
270 1 42 GLY HA3 1 56 ARG HD3 1.800 . 5.000 4.624 3.749 5.041 0.041 2 0 "[ . 1 . 2]" 1
271 1 42 GLY HA3 1 56 ARG HD2 1.800 . 5.000 3.409 2.939 4.139 . 0 0 "[ . 1 . 2]" 1
272 1 42 GLY HA2 1 56 ARG HB3 1.800 . 5.000 2.635 1.800 4.339 . 20 0 "[ . 1 . 2]" 1
273 1 42 GLY HA2 1 56 ARG HB2 1.800 . 5.000 3.541 2.395 4.360 . 0 0 "[ . 1 . 2]" 1
274 1 43 LYS HA 1 57 CYS HB2 2.500 2.500 6.000 4.770 4.288 5.788 . 0 0 "[ . 1 . 2]" 1
275 1 44 ILE HA 1 56 ARG HD3 1.800 . 5.000 3.447 2.279 4.710 . 0 0 "[ . 1 . 2]" 1
276 1 44 ILE HA 1 54 ASP HB3 2.500 2.500 6.000 4.920 3.872 6.044 0.044 9 0 "[ . 1 . 2]" 1
277 1 44 ILE HA 1 54 ASP HB2 2.500 2.500 6.000 4.937 3.713 6.026 0.026 4 0 "[ . 1 . 2]" 1
278 1 31 LEU HA 1 45 CYS HA 2.500 2.500 7.000 5.135 4.693 5.754 . 0 0 "[ . 1 . 2]" 1
279 1 45 CYS HA 1 64 CYS HB3 1.800 . 5.000 5.004 4.480 5.093 0.093 12 0 "[ . 1 . 2]" 1
280 1 45 CYS HA 1 64 CYS HB2 1.800 . 5.000 4.209 4.027 4.699 . 0 0 "[ . 1 . 2]" 1
281 1 31 LEU HG 1 45 CYS HA 2.500 2.500 6.000 5.052 3.729 6.082 0.082 8 0 "[ . 1 . 2]" 1
282 1 31 LEU HB3 1 45 CYS HA 1.800 . 5.000 3.398 3.263 3.736 . 0 0 "[ . 1 . 2]" 1
283 1 31 LEU HB2 1 45 CYS HA 1.800 . 5.000 5.058 5.011 5.100 0.100 4 0 "[ . 1 . 2]" 1
284 1 31 LEU QD 1 45 CYS HA 1.800 . 7.400 2.599 2.050 3.444 . 0 0 "[ . 1 . 2]" 1
285 1 45 CYS HB3 1 64 CYS HB2 1.800 . 5.000 2.276 1.751 2.515 0.049 4 0 "[ . 1 . 2]" 1
286 1 31 LEU QD 1 45 CYS HB3 1.800 . 7.400 3.270 2.859 3.758 . 0 0 "[ . 1 . 2]" 1
287 1 46 ARG QD 1 55 ASP HB3 2.500 2.500 6.000 4.845 3.706 5.405 . 0 0 "[ . 1 . 2]" 1
288 1 31 LEU QD 1 46 ARG QD 2.500 2.500 8.400 3.385 1.791 4.569 0.709 5 1 "[ + 1 . 2]" 1
289 1 46 ARG QD 1 55 ASP HB2 2.500 2.500 6.000 4.532 3.602 5.038 . 0 0 "[ . 1 . 2]" 1
290 1 47 ILE HA 1 54 ASP HB2 2.500 2.500 6.000 4.369 2.970 5.875 . 0 0 "[ . 1 . 2]" 1
291 1 47 ILE HA 1 54 ASP HB3 1.800 . 5.500 3.656 2.023 4.849 . 0 0 "[ . 1 . 2]" 1
292 1 52 TRP HD1 1 68 HIS HB3 2.500 2.500 6.000 5.242 3.614 6.019 0.019 5 0 "[ . 1 . 2]" 1
293 1 52 TRP HD1 1 68 HIS HB2 2.500 2.500 6.000 5.044 2.597 6.001 0.001 6 0 "[ . 1 . 2]" 1
294 1 52 TRP HZ2 1 68 HIS HB3 2.500 2.500 7.000 5.937 3.768 7.045 0.045 5 0 "[ . 1 . 2]" 1
295 1 52 TRP HZ2 1 68 HIS HB2 2.500 2.500 7.000 6.326 4.720 7.072 0.072 4 0 "[ . 1 . 2]" 1
296 1 48 ALA HA 1 54 ASP HA 1.800 . 5.000 4.556 3.789 5.141 0.141 5 0 "[ . 1 . 2]" 1
297 1 48 ALA MB 1 54 ASP HA 1.800 . 5.000 2.843 2.399 3.402 . 0 0 "[ . 1 . 2]" 1
298 1 47 ILE HA 1 54 ASP HA 2.500 2.500 6.500 3.768 2.938 4.546 . 0 0 "[ . 1 . 2]" 1
299 1 44 ILE MD 1 54 ASP HA 1.800 . 6.000 3.670 2.974 4.097 . 0 0 "[ . 1 . 2]" 1
300 1 44 ILE QG 1 54 ASP HA 2.500 2.500 7.000 5.760 4.883 6.225 . 0 0 "[ . 1 . 2]" 1
301 1 44 ILE HB 1 54 ASP HB3 2.500 2.500 6.000 5.261 3.818 6.032 0.032 7 0 "[ . 1 . 2]" 1
302 1 44 ILE QG 1 54 ASP HB3 2.500 2.500 6.000 4.108 3.502 5.118 . 0 0 "[ . 1 . 2]" 1
303 1 44 ILE QG 1 54 ASP HB2 2.500 2.500 6.000 4.273 3.406 5.339 . 0 0 "[ . 1 . 2]" 1
304 1 48 ALA MB 1 54 ASP HB2 2.500 2.500 7.000 4.853 3.870 5.378 . 0 0 "[ . 1 . 2]" 1
305 1 44 ILE MD 1 54 ASP HB3 1.800 . 3.800 2.252 1.724 3.074 0.076 8 0 "[ . 1 . 2]" 1
306 1 44 ILE MD 1 54 ASP HB2 1.800 . 3.800 2.440 1.699 3.189 0.101 5 0 "[ . 1 . 2]" 1
307 1 55 ASP HA 1 66 ARG HA 2.500 2.500 7.000 6.077 2.551 6.921 . 0 0 "[ . 1 . 2]" 1
308 1 46 ARG QB 1 55 ASP HA 1.800 . 6.000 5.085 4.097 5.431 . 0 0 "[ . 1 . 2]" 1
309 1 46 ARG QB 1 55 ASP HB3 1.800 . 6.000 3.295 2.528 4.587 . 0 0 "[ . 1 . 2]" 1
310 1 46 ARG QB 1 55 ASP HB2 1.800 . 6.000 2.775 1.911 3.688 . 0 0 "[ . 1 . 2]" 1
311 1 42 GLY HA3 1 56 ARG HA 2.500 2.500 6.000 5.647 5.193 6.036 0.036 7 0 "[ . 1 . 2]" 1
312 1 42 GLY HA2 1 56 ARG HA 2.500 2.500 6.000 4.217 3.767 4.596 . 0 0 "[ . 1 . 2]" 1
313 1 44 ILE HA 1 56 ARG HA 1.800 . 2.800 2.717 2.494 2.818 0.018 19 0 "[ . 1 . 2]" 1
314 1 41 ALA HA 1 56 ARG HA 2.500 2.500 6.000 6.133 6.003 6.214 0.214 7 0 "[ . 1 . 2]" 1
315 1 44 ILE MG 1 56 ARG HA 1.800 . 6.000 5.047 4.984 5.119 . 0 0 "[ . 1 . 2]" 1
316 1 44 ILE MD 1 56 ARG HA 1.800 . 6.000 3.689 3.159 4.266 . 0 0 "[ . 1 . 2]" 1
317 1 44 ILE MD 1 56 ARG HD3 1.800 . 6.000 3.501 2.751 4.238 . 0 0 "[ . 1 . 2]" 1
318 1 57 CYS HA 1 64 CYS HA 1.800 . 5.000 4.254 3.812 4.883 . 0 0 "[ . 1 . 2]" 1
319 1 57 CYS HA 1 65 PRO HD3 1.800 . 5.000 4.374 3.745 4.906 . 0 0 "[ . 1 . 2]" 1
320 1 57 CYS HA 1 65 PRO HD2 1.800 . 5.000 4.054 3.526 4.746 . 0 0 "[ . 1 . 2]" 1
321 1 45 CYS HB3 1 57 CYS HA 2.500 2.500 6.000 4.785 4.331 6.045 0.045 8 0 "[ . 1 . 2]" 1
322 1 45 CYS HB2 1 57 CYS HA 2.500 2.500 6.000 5.894 4.660 6.147 0.147 14 0 "[ . 1 . 2]" 1
323 1 57 CYS HA 1 65 PRO HG3 2.500 2.500 6.000 5.431 4.857 5.876 . 0 0 "[ . 1 . 2]" 1
324 1 57 CYS HA 1 65 PRO HG2 2.500 2.500 6.000 5.369 4.849 6.023 0.023 5 0 "[ . 1 . 2]" 1
325 1 43 LYS HG3 1 57 CYS HA 2.500 2.500 6.000 5.682 5.259 6.019 0.019 10 0 "[ . 1 . 2]" 1
326 1 41 ALA MB 1 57 CYS HA 2.500 2.500 7.000 5.395 4.988 5.638 . 0 0 "[ . 1 . 2]" 1
327 1 43 LYS HG3 1 57 CYS HB3 1.800 . 5.000 4.778 3.380 5.065 0.065 17 0 "[ . 1 . 2]" 1
328 1 41 ALA MB 1 57 CYS HB3 2.500 2.500 7.000 5.389 4.015 5.806 . 0 0 "[ . 1 . 2]" 1
329 1 43 LYS QB 1 57 CYS HB2 1.800 . 6.000 1.918 1.780 3.304 0.020 14 0 "[ . 1 . 2]" 1
330 1 43 LYS HG3 1 57 CYS HB2 1.800 . 5.000 3.696 2.813 4.204 . 0 0 "[ . 1 . 2]" 1
331 1 43 LYS HG2 1 57 CYS HB2 1.800 . 5.000 3.231 2.026 3.584 . 0 0 "[ . 1 . 2]" 1
332 1 41 ALA MB 1 57 CYS HB2 2.500 2.500 7.000 5.073 4.743 5.683 . 0 0 "[ . 1 . 2]" 1
333 1 41 ALA MB 1 58 THR HB 1.800 . 6.000 3.545 2.990 3.919 . 0 0 "[ . 1 . 2]" 1
334 1 41 ALA HA 1 59 GLY HA3 1.800 . 5.000 4.466 4.219 5.047 0.047 4 0 "[ . 1 . 2]" 1
335 1 41 ALA MB 1 59 GLY HA3 1.800 . 3.800 2.837 2.669 3.017 . 0 0 "[ . 1 . 2]" 1
336 1 32 CYS HB3 1 62 ALA HA 1.800 . 5.000 4.231 2.128 4.914 . 0 0 "[ . 1 . 2]" 1
337 1 32 CYS HB2 1 62 ALA HA 1.800 . 5.000 3.013 1.967 3.909 . 0 0 "[ . 1 . 2]" 1
338 1 31 LEU HG 1 63 ASP HA 1.800 . 5.000 4.973 4.411 5.150 0.150 8 0 "[ . 1 . 2]" 1
339 1 31 LEU HB3 1 63 ASP HB3 2.500 2.500 6.000 5.956 5.672 6.196 0.196 8 0 "[ . 1 . 2]" 1
340 1 31 LEU QD 1 63 ASP HB3 2.500 2.500 8.400 4.873 4.262 5.384 . 0 0 "[ . 1 . 2]" 1
341 1 45 CYS HB3 1 64 CYS HA 2.500 2.500 6.000 4.230 3.881 4.475 . 0 0 "[ . 1 . 2]" 1
342 1 45 CYS HB2 1 64 CYS HA 2.500 2.500 6.000 4.238 4.107 4.477 . 0 0 "[ . 1 . 2]" 1
343 1 31 LEU HB2 1 64 CYS HA 2.500 2.500 6.000 4.524 3.699 4.951 . 0 0 "[ . 1 . 2]" 1
344 1 58 THR MG 1 64 CYS HA 2.500 2.500 7.000 5.609 5.218 5.735 . 0 0 "[ . 1 . 2]" 1
345 1 31 LEU QD 1 64 CYS HA 1.800 . 7.400 4.765 4.243 5.401 . 0 0 "[ . 1 . 2]" 1
346 1 31 LEU HG 1 64 CYS HB2 1.800 . 5.000 4.224 3.124 5.019 0.019 10 0 "[ . 1 . 2]" 1
347 1 31 LEU HB3 1 64 CYS HB2 1.800 . 5.000 2.663 2.221 3.420 . 0 0 "[ . 1 . 2]" 1
348 1 31 LEU HB2 1 64 CYS HB2 1.800 . 5.000 2.987 2.730 3.218 . 0 0 "[ . 1 . 2]" 1
349 1 31 LEU QD 1 64 CYS HB2 1.800 . 5.200 3.101 2.567 3.792 . 0 0 "[ . 1 . 2]" 1
350 1 58 THR MG 1 65 PRO HD3 1.800 . 6.000 4.731 4.191 5.018 . 0 0 "[ . 1 . 2]" 1
351 1 45 CYS HB2 1 65 PRO HD2 2.500 2.500 6.000 5.254 4.032 5.890 . 0 0 "[ . 1 . 2]" 1
352 1 45 CYS HB3 1 65 PRO HD3 2.500 2.500 6.000 5.845 5.215 6.054 0.054 17 0 "[ . 1 . 2]" 1
353 1 45 CYS HB2 1 65 PRO HD3 2.500 2.500 6.000 5.975 5.331 6.135 0.135 6 0 "[ . 1 . 2]" 1
354 1 26 GLN HE21 1 38 PHE QE 2.500 2.500 7.400 4.275 2.760 5.851 . 0 0 "[ . 1 . 2]" 1
355 1 26 GLN HA 1 38 PHE QD 2.500 2.500 7.000 4.712 4.335 5.204 . 0 0 "[ . 1 . 2]" 1
356 1 26 GLN HG3 1 38 PHE QD 2.500 2.500 8.400 3.835 2.756 4.919 . 0 0 "[ . 1 . 2]" 1
357 1 26 GLN HG2 1 38 PHE QD 1.800 . 7.400 2.628 1.851 4.589 . 0 0 "[ . 1 . 2]" 1
358 1 26 GLN HB3 1 38 PHE QD 1.800 . 7.400 2.678 2.104 3.404 . 0 0 "[ . 1 . 2]" 1
359 1 26 GLN HB2 1 38 PHE QD 1.800 . 7.400 3.436 2.671 3.853 . 0 0 "[ . 1 . 2]" 1
360 1 26 GLN H 1 38 PHE QE 2.500 2.500 7.000 5.763 5.099 6.231 . 0 0 "[ . 1 . 2]" 1
361 1 26 GLN HG2 1 38 PHE QE 1.800 . 7.400 3.156 2.016 5.177 . 0 0 "[ . 1 . 2]" 1
362 1 26 GLN HB3 1 38 PHE QE 1.800 . 7.400 3.271 2.588 4.247 . 0 0 "[ . 1 . 2]" 1
363 1 26 GLN HB2 1 38 PHE QE 1.800 . 7.400 4.160 2.618 4.877 . 0 0 "[ . 1 . 2]" 1
364 1 27 CYS H 1 38 PHE QD 2.500 2.500 7.000 5.440 4.463 6.004 . 0 0 "[ . 1 . 2]" 1
365 1 27 CYS HA 1 38 PHE QD 2.500 2.500 7.000 5.576 4.891 6.586 . 0 0 "[ . 1 . 2]" 1
366 1 27 CYS HB3 1 38 PHE QD 1.800 . 7.400 3.451 2.396 4.642 . 0 0 "[ . 1 . 2]" 1
367 1 27 CYS HB2 1 38 PHE QD 1.800 . 7.400 4.459 3.346 5.807 . 0 0 "[ . 1 . 2]" 1
368 1 27 CYS H 1 38 PHE QE 2.500 2.500 7.000 5.387 4.263 6.188 . 0 0 "[ . 1 . 2]" 1
369 1 27 CYS HB3 1 38 PHE QE 1.800 . 5.200 3.168 1.867 4.953 . 0 0 "[ . 1 . 2]" 1
370 1 33 CYS HA 1 38 PHE QD 1.800 . 7.400 3.960 2.868 4.961 . 0 0 "[ . 1 . 2]" 1
371 1 33 CYS HB2 1 38 PHE QD 2.500 2.500 8.400 5.190 2.528 6.631 . 0 0 "[ . 1 . 2]" 1
372 1 33 CYS HB2 1 38 PHE QE 2.500 2.500 8.400 5.778 2.970 7.743 . 0 0 "[ . 1 . 2]" 1
373 1 38 PHE QD 1 60 GLN H 2.500 2.500 7.000 5.124 3.958 5.668 . 0 0 "[ . 1 . 2]" 1
374 1 38 PHE QD 1 60 GLN HA 1.800 . 5.200 3.057 1.858 4.122 . 0 0 "[ . 1 . 2]" 1
375 1 38 PHE QE 1 60 GLN H 2.500 2.500 7.000 5.909 4.736 6.535 . 0 0 "[ . 1 . 2]" 1
376 1 38 PHE QD 1 61 SER H 2.500 2.500 7.000 4.045 3.177 4.756 . 0 0 "[ . 1 . 2]" 1
377 1 38 PHE QD 1 61 SER HB2 2.500 2.500 8.400 5.887 5.168 6.535 . 0 0 "[ . 1 . 2]" 1
378 1 38 PHE QE 1 61 SER HA 2.500 2.500 7.000 3.476 2.516 4.368 . 0 0 "[ . 1 . 2]" 1
379 1 38 PHE QE 1 61 SER HB2 2.500 2.500 8.400 5.616 4.795 6.366 . 0 0 "[ . 1 . 2]" 1
380 1 38 PHE QD 1 62 ALA H 1.800 . 7.400 4.185 3.304 5.324 . 0 0 "[ . 1 . 2]" 1
381 1 38 PHE QD 1 62 ALA HA 1.800 . 7.400 3.296 2.690 4.518 . 0 0 "[ . 1 . 2]" 1
382 1 38 PHE QE 1 62 ALA H 1.800 . 7.400 3.209 1.864 5.886 . 0 0 "[ . 1 . 2]" 1
383 1 38 PHE QE 1 62 ALA HA 1.800 . 7.400 3.831 2.499 6.589 . 0 0 "[ . 1 . 2]" 1
384 1 53 ASN HB2 1 67 TYR QD 2.500 2.500 8.400 5.800 3.326 7.348 . 0 0 "[ . 1 . 2]" 1
385 1 53 ASN HB3 1 67 TYR QD 2.500 2.500 8.400 5.795 3.513 7.639 . 0 0 "[ . 1 . 2]" 1
386 1 53 ASN HB2 1 67 TYR QE 2.500 2.500 8.400 5.810 2.613 7.642 . 0 0 "[ . 1 . 2]" 1
387 1 53 ASN HB3 1 67 TYR QE 2.500 2.500 8.400 5.821 2.503 7.524 . 0 0 "[ . 1 . 2]" 1
388 1 6 CYS HB2 1 11 ASN HD22 2.500 2.500 6.000 4.619 3.747 5.809 . 0 0 "[ . 1 . 2]" 1
389 1 6 CYS HB2 1 11 ASN HD21 1.800 . 5.000 3.354 2.268 4.420 . 0 0 "[ . 1 . 2]" 1
390 1 6 CYS HA 1 11 ASN HD21 2.500 2.500 6.000 4.984 4.223 5.977 . 0 0 "[ . 1 . 2]" 1
391 1 11 ASN HD22 1 28 GLY HA3 1.800 . 5.000 4.167 2.395 4.909 . 0 0 "[ . 1 . 2]" 1
392 1 11 ASN HD22 1 28 GLY HA2 2.500 2.500 6.000 3.967 2.468 5.254 0.032 16 0 "[ . 1 . 2]" 1
393 1 11 ASN HD21 1 28 GLY HA2 2.500 2.500 6.000 4.358 3.235 5.824 . 0 0 "[ . 1 . 2]" 1
394 1 11 ASN HD22 1 29 GLU HB3 2.500 2.500 6.000 3.514 2.672 4.862 . 0 0 "[ . 1 . 2]" 1
395 1 11 ASN HD22 1 29 GLU HB2 2.500 2.500 6.000 4.721 2.567 5.977 . 0 0 "[ . 1 . 2]" 1
396 1 11 ASN HD22 1 29 GLU HG3 2.500 2.500 6.000 5.595 3.451 6.008 0.008 8 0 "[ . 1 . 2]" 1
397 1 11 ASN HD22 1 29 GLU HG2 2.500 2.500 6.000 4.984 4.208 5.806 . 0 0 "[ . 1 . 2]" 1
398 1 11 ASN HD21 1 29 GLU HG3 2.500 2.500 6.000 5.296 3.357 6.019 0.019 3 0 "[ . 1 . 2]" 1
399 1 11 ASN HD21 1 29 GLU HB2 2.500 2.500 6.000 4.865 2.730 6.027 0.027 3 0 "[ . 1 . 2]" 1
400 1 11 ASN HD21 1 29 GLU HB3 2.500 2.500 6.000 3.556 2.654 4.329 . 0 0 "[ . 1 . 2]" 1
401 1 11 ASN HD21 1 29 GLU HG2 2.500 2.500 6.000 4.439 3.247 5.011 . 0 0 "[ . 1 . 2]" 1
402 1 26 GLN HE22 1 38 PHE H 2.500 2.500 6.000 4.923 3.561 6.036 0.036 11 0 "[ . 1 . 2]" 1
403 1 4 CYS H 1 6 CYS H 2.500 2.500 6.000 5.160 4.759 5.866 . 0 0 "[ . 1 . 2]" 1
404 1 8 SER H 1 11 ASN H 2.500 2.500 6.000 4.826 4.518 5.292 . 0 0 "[ . 1 . 2]" 1
405 1 11 ASN H 1 13 CYS H 2.500 2.500 6.000 5.417 4.944 5.959 . 0 0 "[ . 1 . 2]" 1
406 1 16 ALA H 1 18 THR H 2.500 2.500 6.000 4.244 3.762 4.636 . 0 0 "[ . 1 . 2]" 1
407 1 18 THR H 1 20 LYS H 2.500 2.500 6.000 3.853 2.961 4.965 . 0 0 "[ . 1 . 2]" 1
408 1 15 ASP H 1 19 CYS H 2.500 2.500 6.000 5.351 4.470 6.031 0.031 7 0 "[ . 1 . 2]" 1
409 1 16 ALA H 1 19 CYS H 2.500 2.500 6.000 4.748 4.195 5.106 . 0 0 "[ . 1 . 2]" 1
410 1 22 ARG H 1 25 ALA H 2.500 2.500 6.000 4.841 3.864 5.716 . 0 0 "[ . 1 . 2]" 1
411 1 31 LEU H 1 33 CYS H 2.500 2.500 6.000 4.768 4.063 5.562 . 0 0 "[ . 1 . 2]" 1
412 1 34 GLU H 1 36 CYS H 2.500 2.500 6.000 5.291 5.089 5.632 . 0 0 "[ . 1 . 2]" 1
413 1 34 GLU H 1 37 LYS H 1.800 . 5.000 3.562 3.357 3.822 . 0 0 "[ . 1 . 2]" 1
414 1 34 GLU H 1 38 PHE H 2.500 2.500 6.000 4.993 4.334 5.473 . 0 0 "[ . 1 . 2]" 1
415 1 35 GLN H 1 37 LYS H 2.500 2.500 6.000 4.440 4.216 4.747 . 0 0 "[ . 1 . 2]" 1
416 1 40 ARG H 1 43 LYS H 2.500 2.500 6.000 5.992 5.458 6.063 0.063 14 0 "[ . 1 . 2]" 1
417 1 41 ALA H 1 43 LYS H 2.500 2.500 6.000 5.204 4.962 5.424 . 0 0 "[ . 1 . 2]" 1
418 1 44 ILE H 1 46 ARG H 2.500 2.500 6.000 5.635 5.232 5.900 . 0 0 "[ . 1 . 2]" 1
419 1 50 GLY H 1 52 TRP H 2.500 2.500 6.000 5.558 4.570 6.104 0.104 12 0 "[ . 1 . 2]" 1
420 1 58 THR H 1 60 GLN H 2.500 2.500 6.000 4.175 3.888 4.535 . 0 0 "[ . 1 . 2]" 1
421 1 58 THR H 1 61 SER H 2.500 2.500 6.000 3.750 3.390 3.940 . 0 0 "[ . 1 . 2]" 1
422 1 59 GLY H 1 61 SER H 1.800 . 5.000 4.295 4.017 4.553 . 0 0 "[ . 1 . 2]" 1
423 1 44 ILE MG 1 45 CYS H 2.500 2.500 7.000 3.772 3.074 4.173 . 0 0 "[ . 1 . 2]" 1
424 1 26 GLN HG2 1 27 CYS H 2.500 2.500 6.000 5.263 4.103 5.729 . 0 0 "[ . 1 . 2]" 1
425 1 37 LYS HG2 1 38 PHE H 2.500 2.500 6.000 3.564 2.516 4.511 . 0 0 "[ . 1 . 2]" 1
426 1 43 LYS HG2 1 44 ILE H 1.800 . 5.000 4.436 3.661 4.601 . 0 0 "[ . 1 . 2]" 1
427 1 12 PRO QG 1 13 CYS H 1.800 . 6.000 3.229 2.429 4.402 . 0 0 "[ . 1 . 2]" 1
428 1 26 GLN HG3 1 27 CYS H 1.800 . 5.000 4.625 2.382 5.068 0.068 10 0 "[ . 1 . 2]" 1
429 1 37 LYS HG3 1 38 PHE H 2.500 2.500 6.000 3.810 2.491 5.077 0.009 9 0 "[ . 1 . 2]" 1
430 1 43 LYS HG3 1 44 ILE H 1.800 . 5.000 3.044 2.187 3.404 . 0 0 "[ . 1 . 2]" 1
431 1 2 LYS QG 1 4 CYS H 2.500 2.500 7.000 4.725 2.746 6.089 . 0 0 "[ . 1 . 2]" 1
432 1 15 ASP H 1 18 THR MG 2.500 2.500 7.000 5.060 3.880 5.841 . 0 0 "[ . 1 . 2]" 1
433 1 17 ALA H 1 18 THR MG 1.800 . 6.000 4.329 3.620 5.084 . 0 0 "[ . 1 . 2]" 1
434 1 18 THR MG 1 19 CYS H 1.800 . 6.000 3.667 2.838 4.268 . 0 0 "[ . 1 . 2]" 1
435 1 20 LYS QG 1 21 LEU H 1.800 . 6.000 3.511 2.844 4.214 . 0 0 "[ . 1 . 2]" 1
436 1 23 PRO QG 1 24 GLY H 2.500 2.500 7.000 4.259 3.347 4.816 . 0 0 "[ . 1 . 2]" 1
437 1 29 GLU QG 1 30 GLY H 2.500 2.500 7.000 4.123 2.703 4.494 . 0 0 "[ . 1 . 2]" 1
438 1 35 GLN QG 1 36 CYS H 2.500 2.500 7.000 4.080 3.319 4.862 . 0 0 "[ . 1 . 2]" 1
439 1 34 GLU QG 1 37 LYS H 1.800 . 6.000 4.560 2.288 5.408 . 0 0 "[ . 1 . 2]" 1
440 1 46 ARG HG3 1 47 ILE H 1.800 . 6.000 3.591 2.157 4.830 . 0 0 "[ . 1 . 2]" 1
441 1 47 ILE HG13 1 48 ALA MB 1.800 . 5.500 3.912 3.295 4.600 . 0 0 "[ . 1 . 2]" 1
442 1 46 ARG QB 1 47 ILE H 1.800 . 6.000 2.862 1.867 3.705 . 0 0 "[ . 1 . 2]" 1
443 1 46 ARG HG2 1 47 ILE H 1.800 . 6.000 3.003 2.112 4.451 . 0 0 "[ . 1 . 2]" 1
444 1 46 ARG HA 1 48 ALA H 2.500 2.500 7.000 6.192 4.048 6.749 . 0 0 "[ . 1 . 2]" 1
445 1 47 ILE HB 1 48 ALA H 1.800 . 5.500 4.095 2.824 4.662 . 0 0 "[ . 1 . 2]" 1
446 1 47 ILE HG13 1 48 ALA H 1.800 . 6.000 2.759 1.895 4.771 . 0 0 "[ . 1 . 2]" 1
447 1 47 ILE MG 1 48 ALA H 1.800 . 5.500 3.785 2.866 4.199 . 0 0 "[ . 1 . 2]" 1
448 1 47 ILE MD 1 48 ALA H 1.800 . 6.000 3.128 2.065 4.523 . 0 0 "[ . 1 . 2]" 1
449 1 49 LYS QG 1 50 GLY H 2.500 2.500 7.000 3.744 2.435 4.469 0.065 4 0 "[ . 1 . 2]" 1
450 1 48 ALA MB 1 51 ASP H 2.500 2.500 6.000 4.044 2.473 4.909 0.027 6 0 "[ . 1 . 2]" 1
451 1 51 ASP H 1 52 TRP HE3 2.500 2.500 6.000 4.651 4.023 5.799 . 0 0 "[ . 1 . 2]" 1
452 1 51 ASP H 1 52 TRP HZ3 2.500 2.500 6.000 5.100 3.941 6.210 0.210 5 0 "[ . 1 . 2]" 1
453 1 48 ALA MB 1 52 TRP H 1.800 . 5.500 3.589 2.267 4.742 . 0 0 "[ . 1 . 2]" 1
454 1 52 TRP HB3 1 53 ASN H 1.800 . 5.000 3.528 2.922 4.682 . 0 0 "[ . 1 . 2]" 1
455 1 52 TRP HB2 1 53 ASN H 1.800 . 5.000 2.840 1.712 4.452 0.088 12 0 "[ . 1 . 2]" 1
456 1 53 ASN HB3 1 54 ASP H 1.800 . 5.000 3.402 2.072 4.689 . 0 0 "[ . 1 . 2]" 1
457 1 53 ASN HB2 1 54 ASP H 1.800 . 5.000 4.114 2.129 4.664 . 0 0 "[ . 1 . 2]" 1
458 1 58 THR MG 1 59 GLY H 2.500 2.500 7.000 3.800 3.653 3.934 . 0 0 "[ . 1 . 2]" 1
459 1 58 THR MG 1 60 GLN H 2.500 2.500 7.000 4.005 3.558 4.196 . 0 0 "[ . 1 . 2]" 1
460 1 58 THR MG 1 61 SER H 2.500 2.500 7.000 4.193 3.707 4.427 . 0 0 "[ . 1 . 2]" 1
461 1 65 PRO QG 1 66 ARG H 2.500 2.500 7.000 4.063 2.494 4.916 0.006 19 0 "[ . 1 . 2]" 1
462 1 66 ARG QG 1 67 TYR H 1.800 . 6.000 3.688 1.871 4.761 . 0 0 "[ . 1 . 2]" 1
463 1 66 ARG QG 1 68 HIS H 2.500 2.500 7.000 4.891 2.316 6.191 0.184 1 0 "[ . 1 . 2]" 1
464 1 31 LEU HG 1 32 CYS H 2.500 2.500 6.000 5.186 4.754 5.687 . 0 0 "[ . 1 . 2]" 1
465 1 21 LEU MD2 1 22 ARG H 1.800 . 6.000 2.580 1.765 4.056 0.035 8 0 "[ . 1 . 2]" 1
466 1 56 ARG HD2 1 57 CYS H 2.500 2.500 6.000 4.835 3.421 6.020 0.020 8 0 "[ . 1 . 2]" 1
467 1 21 LEU MD1 1 22 ARG H 1.800 . 6.000 4.237 1.736 5.094 0.064 19 0 "[ . 1 . 2]" 1
468 1 12 PRO HD3 1 13 CYS H 1.800 . 5.000 3.868 3.591 4.518 . 0 0 "[ . 1 . 2]" 1
469 1 12 PRO HD2 1 13 CYS H 1.800 . 5.000 2.678 2.222 3.775 . 0 0 "[ . 1 . 2]" 1
470 1 56 ARG HD3 1 57 CYS H 1.800 . 5.000 4.565 3.441 5.018 0.018 8 0 "[ . 1 . 2]" 1
471 1 31 LEU QD 1 32 CYS H 2.500 2.500 7.000 3.999 3.770 4.256 . 0 0 "[ . 1 . 2]" 1
472 1 31 LEU QD 1 33 CYS H 2.500 2.500 7.000 4.968 4.417 5.202 . 0 0 "[ . 1 . 2]" 1
473 1 37 LYS QD 1 38 PHE H 2.500 2.500 7.000 4.087 2.569 5.600 . 0 0 "[ . 1 . 2]" 1
474 1 40 ARG QD 1 41 ALA H 1.800 . 6.000 4.593 3.256 5.346 . 0 0 "[ . 1 . 2]" 1
475 1 44 ILE MD 1 45 CYS H 1.800 . 6.000 3.021 2.610 3.379 . 0 0 "[ . 1 . 2]" 1
476 1 44 ILE MD 1 46 ARG H 1.800 . 5.000 2.345 1.877 2.818 . 0 0 "[ . 1 . 2]" 1
477 1 49 LYS QD 1 50 GLY H 2.500 2.500 7.000 4.954 3.642 6.073 . 0 0 "[ . 1 . 2]" 1
478 1 3 GLU HB2 1 4 CYS H 1.800 . 5.000 4.429 3.427 4.678 . 0 0 "[ . 1 . 2]" 1
479 1 4 CYS HB2 1 5 ASP H 1.800 . 5.000 4.545 3.884 4.651 . 0 0 "[ . 1 . 2]" 1
480 1 4 CYS HB2 1 6 CYS H 1.800 . 5.000 4.961 4.287 5.070 0.070 2 0 "[ . 1 . 2]" 1
481 1 6 CYS HB2 1 7 SER H 2.500 2.500 6.000 2.958 2.433 4.086 0.067 14 0 "[ . 1 . 2]" 1
482 1 6 CYS HB2 1 8 SER H 1.800 . 5.000 3.177 2.604 4.110 . 0 0 "[ . 1 . 2]" 1
483 1 8 SER H 1 11 ASN HB2 2.500 2.500 6.000 3.987 3.592 5.775 . 0 0 "[ . 1 . 2]" 1
484 1 8 SER HB2 1 10 GLU H 1.800 . 5.000 3.470 2.365 5.007 0.007 10 0 "[ . 1 . 2]" 1
485 1 10 GLU H 1 11 ASN HB2 1.800 . 5.000 4.071 3.585 5.023 0.023 12 0 "[ . 1 . 2]" 1
486 1 10 GLU HB2 1 11 ASN H 2.500 2.500 6.000 3.735 2.968 4.312 . 0 0 "[ . 1 . 2]" 1
487 1 13 CYS HB2 1 14 CYS H 1.800 . 5.000 3.899 2.556 4.496 . 0 0 "[ . 1 . 2]" 1
488 1 14 CYS HB2 1 15 ASP H 1.800 . 5.000 3.470 1.869 4.520 . 0 0 "[ . 1 . 2]" 1
489 1 15 ASP HB2 1 16 ALA H 1.800 . 5.000 4.488 4.241 4.642 . 0 0 "[ . 1 . 2]" 1
490 1 15 ASP HB2 1 17 ALA H 2.500 2.500 6.000 4.657 4.351 5.084 . 0 0 "[ . 1 . 2]" 1
491 1 15 ASP HB2 1 18 THR H 2.500 2.500 6.000 4.417 3.950 4.886 . 0 0 "[ . 1 . 2]" 1
492 1 15 ASP HB2 1 19 CYS H 2.500 2.500 6.000 5.405 4.508 6.044 0.044 4 0 "[ . 1 . 2]" 1
493 1 19 CYS HB2 1 20 LYS H 2.500 2.500 6.000 4.503 4.042 4.675 . 0 0 "[ . 1 . 2]" 1
494 1 27 CYS HB2 1 28 GLY H 1.800 . 5.000 3.128 1.981 4.291 . 0 0 "[ . 1 . 2]" 1
495 1 28 GLY H 1 29 GLU HB2 2.500 2.500 6.000 5.846 4.847 6.105 0.105 11 0 "[ . 1 . 2]" 1
496 1 27 CYS HB2 1 29 GLU H 1.800 . 5.000 3.338 2.557 4.570 . 0 0 "[ . 1 . 2]" 1
497 1 29 GLU H 1 33 CYS HB2 2.500 2.500 6.000 4.287 3.584 5.569 . 0 0 "[ . 1 . 2]" 1
498 1 29 GLU HB2 1 30 GLY H 1.800 . 5.000 3.435 3.064 4.437 . 0 0 "[ . 1 . 2]" 1
499 1 30 GLY H 1 33 CYS HB2 1.800 . 5.000 3.179 1.973 5.004 0.004 4 0 "[ . 1 . 2]" 1
500 1 31 LEU HB2 1 32 CYS H 1.800 . 5.000 3.241 2.653 3.624 . 0 0 "[ . 1 . 2]" 1
501 1 33 CYS HB2 1 34 GLU H 2.500 2.500 6.000 4.488 4.307 4.658 . 0 0 "[ . 1 . 2]" 1
502 1 34 GLU H 1 37 LYS HB2 2.500 2.500 6.000 4.735 3.798 5.699 . 0 0 "[ . 1 . 2]" 1
503 1 34 GLU HB2 1 35 GLN H 1.800 . 5.000 3.156 1.871 3.797 . 0 0 "[ . 1 . 2]" 1
504 1 35 GLN HB2 1 36 CYS H 2.500 2.500 6.000 4.449 4.052 4.697 . 0 0 "[ . 1 . 2]" 1
505 1 35 GLN HB2 1 37 LYS H 2.500 2.500 6.000 5.543 4.969 6.022 0.022 14 0 "[ . 1 . 2]" 1
506 1 36 CYS HB2 1 37 LYS H 2.500 2.500 6.000 4.332 4.232 4.561 . 0 0 "[ . 1 . 2]" 1
507 1 37 LYS HB2 1 38 PHE H 1.800 . 5.000 4.244 3.917 4.686 . 0 0 "[ . 1 . 2]" 1
508 1 38 PHE HB2 1 39 SER H 1.800 . 5.000 4.436 3.528 4.595 . 0 0 "[ . 1 . 2]" 1
509 1 39 SER HB2 1 40 ARG H 1.800 . 5.000 2.764 2.207 4.179 . 0 0 "[ . 1 . 2]" 1
510 1 55 ASP HB2 1 56 ARG H 1.800 . 5.000 4.346 3.595 4.672 . 0 0 "[ . 1 . 2]" 1
511 1 56 ARG HB2 1 57 CYS H 1.800 . 5.000 4.027 3.380 4.650 . 0 0 "[ . 1 . 2]" 1
512 1 57 CYS HB2 1 58 THR H 2.500 2.500 6.000 3.627 3.294 3.983 . 0 0 "[ . 1 . 2]" 1
513 1 60 GLN H 1 61 SER HB2 1.800 . 5.000 4.123 3.621 5.007 0.007 1 0 "[ . 1 . 2]" 1
514 1 60 GLN HB2 1 61 SER H 2.500 2.500 6.000 3.995 3.105 4.482 . 0 0 "[ . 1 . 2]" 1
515 1 61 SER HB2 1 62 ALA H 1.800 . 5.000 3.896 2.864 4.355 . 0 0 "[ . 1 . 2]" 1
516 1 61 SER HB2 1 63 ASP H 1.800 . 5.000 4.621 3.357 5.029 0.029 9 0 "[ . 1 . 2]" 1
517 1 66 ARG HB2 1 68 HIS H 1.800 . 5.000 4.617 3.871 5.013 0.013 18 0 "[ . 1 . 2]" 1
518 1 67 TYR HB2 1 68 HIS H 1.800 . 5.000 3.727 2.784 4.650 . 0 0 "[ . 1 . 2]" 1
519 1 3 GLU HB3 1 4 CYS H 1.800 . 5.000 4.310 1.871 4.693 . 0 0 "[ . 1 . 2]" 1
520 1 4 CYS HB3 1 5 ASP H 2.500 2.500 6.000 4.235 2.882 4.486 . 0 0 "[ . 1 . 2]" 1
521 1 4 CYS HB3 1 6 CYS H 1.800 . 5.000 4.001 3.047 4.799 . 0 0 "[ . 1 . 2]" 1
522 1 6 CYS HB3 1 7 SER H 2.500 2.500 6.000 3.666 2.435 4.475 0.065 18 0 "[ . 1 . 2]" 1
523 1 6 CYS HB3 1 8 SER H 1.800 . 5.000 4.012 2.262 4.980 . 0 0 "[ . 1 . 2]" 1
524 1 7 SER HB3 1 8 SER H 1.800 . 5.000 4.237 3.460 4.573 . 0 0 "[ . 1 . 2]" 1
525 1 8 SER H 1 11 ASN HB3 1.800 . 5.000 4.509 3.772 5.009 0.009 18 0 "[ . 1 . 2]" 1
526 1 8 SER HB3 1 10 GLU H 1.800 . 5.000 3.422 2.250 4.432 . 0 0 "[ . 1 . 2]" 1
527 1 10 GLU H 1 11 ASN HB3 1.800 . 5.000 4.906 4.080 5.035 0.035 13 0 "[ . 1 . 2]" 1
528 1 10 GLU HB3 1 11 ASN H 1.800 . 5.000 3.686 2.609 4.552 . 0 0 "[ . 1 . 2]" 1
529 1 12 PRO HB3 1 13 CYS H 2.500 2.500 6.000 4.382 4.064 4.717 . 0 0 "[ . 1 . 2]" 1
530 1 12 PRO HB2 1 13 CYS H 1.800 . 5.000 3.717 3.135 4.342 . 0 0 "[ . 1 . 2]" 1
531 1 13 CYS H 1 14 CYS HB3 2.500 2.500 6.000 4.980 3.899 5.878 . 0 0 "[ . 1 . 2]" 1
532 1 12 PRO QG 1 14 CYS H 2.500 2.500 7.000 5.323 4.956 6.059 . 0 0 "[ . 1 . 2]" 1
533 1 13 CYS HB3 1 14 CYS H 1.800 . 5.000 3.955 3.020 4.572 . 0 0 "[ . 1 . 2]" 1
534 1 14 CYS HB3 1 15 ASP H 1.800 . 5.000 3.921 3.302 4.499 . 0 0 "[ . 1 . 2]" 1
535 1 15 ASP HB3 1 16 ALA H 1.800 . 5.000 3.942 3.570 4.118 . 0 0 "[ . 1 . 2]" 1
536 1 15 ASP HB3 1 18 THR H 2.500 2.500 6.000 2.744 2.468 3.172 0.032 3 0 "[ . 1 . 2]" 1
537 1 15 ASP HB3 1 19 CYS H 1.800 . 5.000 3.774 2.769 4.706 . 0 0 "[ . 1 . 2]" 1
538 1 19 CYS HB3 1 20 LYS H 2.500 2.500 6.000 4.229 3.602 4.666 . 0 0 "[ . 1 . 2]" 1
539 1 20 LYS HB3 1 21 LEU H 1.800 . 5.000 2.316 1.840 3.161 . 0 0 "[ . 1 . 2]" 1
540 1 27 CYS HB3 1 28 GLY H 1.800 . 5.000 4.104 3.524 4.464 . 0 0 "[ . 1 . 2]" 1
541 1 28 GLY H 1 29 GLU HB3 2.500 2.500 6.000 5.042 4.647 5.352 . 0 0 "[ . 1 . 2]" 1
542 1 27 CYS HB3 1 29 GLU H 1.800 . 5.000 4.594 4.204 4.952 . 0 0 "[ . 1 . 2]" 1
543 1 29 GLU H 1 33 CYS HB3 2.500 2.500 6.000 4.238 3.847 4.861 . 0 0 "[ . 1 . 2]" 1
544 1 31 LEU HB3 1 32 CYS H 1.800 . 5.000 3.324 2.620 3.776 . 0 0 "[ . 1 . 2]" 1
545 1 32 CYS H 1 33 CYS HB3 2.500 2.500 6.000 5.036 4.149 5.982 . 0 0 "[ . 1 . 2]" 1
546 1 33 CYS HB3 1 34 GLU H 2.500 2.500 6.000 4.133 3.416 4.586 . 0 0 "[ . 1 . 2]" 1
547 1 34 GLU HB3 1 35 GLN H 2.500 2.500 6.000 2.595 2.371 3.479 0.129 9 0 "[ . 1 . 2]" 1
548 1 35 GLN HB3 1 36 CYS H 2.500 2.500 6.000 4.282 4.030 4.610 . 0 0 "[ . 1 . 2]" 1
549 1 34 GLU HB3 1 37 LYS H 2.500 2.500 6.000 4.118 3.342 5.607 . 0 0 "[ . 1 . 2]" 1
550 1 35 GLN HB3 1 37 LYS H 2.500 2.500 6.000 5.570 5.140 6.028 0.028 9 0 "[ . 1 . 2]" 1
551 1 36 CYS HB3 1 37 LYS H 2.500 2.500 6.000 4.398 4.294 4.560 . 0 0 "[ . 1 . 2]" 1
552 1 37 LYS HB3 1 38 PHE H 1.800 . 5.000 3.274 2.545 4.071 . 0 0 "[ . 1 . 2]" 1
553 1 38 PHE HB3 1 39 SER H 1.800 . 5.000 3.609 3.371 4.238 . 0 0 "[ . 1 . 2]" 1
554 1 39 SER HB3 1 40 ARG H 1.800 . 5.000 3.378 2.027 4.247 . 0 0 "[ . 1 . 2]" 1
555 1 40 ARG QB 1 41 ALA H 1.800 . 3.800 3.002 1.849 3.342 . 0 0 "[ . 1 . 2]" 1
556 1 54 ASP HB3 1 55 ASP H 1.800 . 5.000 3.003 2.294 3.953 . 0 0 "[ . 1 . 2]" 1
557 1 54 ASP HB2 1 55 ASP H 1.800 . 5.000 3.236 1.981 4.322 . 0 0 "[ . 1 . 2]" 1
558 1 55 ASP HB3 1 56 ARG H 1.800 . 5.000 3.672 3.062 4.117 . 0 0 "[ . 1 . 2]" 1
559 1 56 ARG HB3 1 57 CYS H 1.800 . 5.000 3.268 2.607 4.380 . 0 0 "[ . 1 . 2]" 1
560 1 57 CYS HB3 1 58 THR H 1.800 . 5.000 2.797 2.475 4.117 . 0 0 "[ . 1 . 2]" 1
561 1 60 GLN H 1 61 SER HB3 2.500 2.500 6.000 4.072 3.453 5.254 . 0 0 "[ . 1 . 2]" 1
562 1 60 GLN HB3 1 61 SER H 1.800 . 5.000 4.411 3.695 4.645 . 0 0 "[ . 1 . 2]" 1
563 1 61 SER HB3 1 63 ASP H 1.800 . 5.000 4.320 3.306 4.987 . 0 0 "[ . 1 . 2]" 1
564 1 63 ASP HB3 1 64 CYS H 1.800 . 5.000 2.310 1.860 2.648 . 0 0 "[ . 1 . 2]" 1
565 1 66 ARG HB3 1 67 TYR H 1.800 . 5.000 3.353 1.874 4.472 . 0 0 "[ . 1 . 2]" 1
566 1 66 ARG HB3 1 68 HIS H 2.500 2.500 6.000 4.401 2.960 6.053 0.053 4 0 "[ . 1 . 2]" 1
567 1 5 ASP QB 1 6 CYS H 1.800 . 6.000 2.735 2.459 3.066 . 0 0 "[ . 1 . 2]" 1
568 1 8 SER QB 1 11 ASN H 1.800 . 6.000 2.431 2.123 3.072 . 0 0 "[ . 1 . 2]" 1
569 1 17 ALA MB 1 18 THR H 1.800 . 3.800 2.881 2.383 3.164 . 0 0 "[ . 1 . 2]" 1
570 1 21 LEU QB 1 22 ARG H 1.800 . 3.800 2.727 1.778 3.344 0.022 4 0 "[ . 1 . 2]" 1
571 1 23 PRO QB 1 24 GLY H 1.800 . 6.000 3.022 1.802 3.911 . 0 0 "[ . 1 . 2]" 1
572 1 21 LEU QB 1 25 ALA H 1.800 . 6.000 4.375 3.641 5.218 . 0 0 "[ . 1 . 2]" 1
573 1 23 PRO QB 1 25 ALA H 2.500 2.500 7.000 4.117 2.354 5.918 0.146 13 0 "[ . 1 . 2]" 1
574 1 25 ALA MB 1 26 GLN H 1.800 . 6.000 2.162 1.803 3.252 . 0 0 "[ . 1 . 2]" 1
575 1 26 GLN QB 1 27 CYS H 1.800 . 6.000 3.441 3.057 3.854 . 0 0 "[ . 1 . 2]" 1
576 1 41 ALA MB 1 42 GLY H 1.800 . 6.000 2.252 1.887 2.586 . 0 0 "[ . 1 . 2]" 1
577 1 43 LYS HG3 1 46 ARG H 2.500 2.500 7.000 5.585 5.360 6.182 . 0 0 "[ . 1 . 2]" 1
578 1 43 LYS HG2 1 46 ARG H 2.500 2.500 7.000 6.984 6.336 7.103 0.103 16 0 "[ . 1 . 2]" 1
579 1 45 CYS HB3 1 46 ARG H 2.500 2.500 6.000 4.213 3.383 4.468 . 0 0 "[ . 1 . 2]" 1
580 1 45 CYS HB2 1 46 ARG H 2.500 2.500 6.000 3.997 3.416 4.356 . 0 0 "[ . 1 . 2]" 1
581 1 48 ALA MB 1 49 LYS H 1.800 . 5.500 2.324 1.836 3.327 . 0 0 "[ . 1 . 2]" 1
582 1 49 LYS H 1 52 TRP HZ2 1.800 . 5.000 3.724 3.129 5.070 0.070 4 0 "[ . 1 . 2]" 1
583 1 49 LYS H 1 50 GLY HA3 2.500 2.500 6.000 4.674 4.160 5.649 . 0 0 "[ . 1 . 2]" 1
584 1 49 LYS H 1 50 GLY HA2 1.800 . 5.000 4.928 4.625 5.177 0.177 17 0 "[ . 1 . 2]" 1
585 1 48 ALA HA 1 50 GLY H 2.500 2.500 7.000 4.782 3.447 6.130 . 0 0 "[ . 1 . 2]" 1
586 1 48 ALA MB 1 50 GLY H 2.500 2.500 6.200 3.388 2.082 4.132 0.418 13 0 "[ . 1 . 2]" 1
587 1 49 LYS HB3 1 50 GLY H 1.800 . 6.003 3.566 1.896 4.523 . 0 0 "[ . 1 . 2]" 1
588 1 49 LYS HB2 1 50 GLY H 1.800 . 6.000 2.955 1.797 4.302 0.003 20 0 "[ . 1 . 2]" 1
589 1 51 ASP HB3 1 52 TRP H 2.500 2.500 6.200 3.720 2.378 4.083 0.122 4 0 "[ . 1 . 2]" 1
590 1 51 ASP HB2 1 52 TRP H 2.500 2.500 6.200 4.510 3.848 4.673 . 0 0 "[ . 1 . 2]" 1
591 1 52 TRP HE1 1 53 ASN H 2.500 2.500 6.700 6.400 5.518 6.724 0.024 10 0 "[ . 1 . 2]" 1
592 1 49 LYS H 1 52 TRP HE1 1.800 . 5.000 2.101 1.796 3.633 0.004 17 0 "[ . 1 . 2]" 1
593 1 48 ALA HA 1 52 TRP HE1 1.800 . 5.000 3.864 2.890 4.444 . 0 0 "[ . 1 . 2]" 1
594 1 48 ALA MB 1 52 TRP HE1 1.800 . 5.500 2.335 1.749 3.253 0.051 16 0 "[ . 1 . 2]" 1
595 1 48 ALA HA 1 52 TRP HD1 1.800 . 5.500 4.375 3.219 5.571 0.071 12 0 "[ . 1 . 2]" 1
596 1 50 GLY HA3 1 52 TRP HD1 2.500 2.500 6.700 5.748 4.939 6.652 . 0 0 "[ . 1 . 2]" 1
597 1 51 ASP HB3 1 52 TRP HD1 2.500 2.500 5.700 5.666 5.032 5.863 0.163 8 0 "[ . 1 . 2]" 1
598 1 51 ASP HB2 1 52 TRP HD1 2.500 2.500 6.200 6.053 5.768 6.407 0.207 4 0 "[ . 1 . 2]" 1
599 1 49 LYS HB2 1 52 TRP HD1 2.500 2.500 6.200 5.582 3.180 6.486 0.286 5 0 "[ . 1 . 2]" 1
600 1 49 LYS QG 1 52 TRP HD1 2.500 2.500 6.700 5.586 4.076 6.033 . 0 0 "[ . 1 . 2]" 1
601 1 48 ALA MB 1 52 TRP HD1 1.800 . 5.000 2.059 1.700 3.244 0.100 7 0 "[ . 1 . 2]" 1
602 1 48 ALA MB 1 52 TRP HE3 2.500 2.500 6.700 5.021 3.131 5.601 . 0 0 "[ . 1 . 2]" 1
603 1 51 ASP HA 1 52 TRP HE3 2.500 2.500 6.700 5.369 3.721 6.235 . 0 0 "[ . 1 . 2]" 1
604 1 51 ASP HB3 1 52 TRP HE3 2.500 2.500 5.700 5.569 5.274 5.866 0.166 15 0 "[ . 1 . 2]" 1
605 1 51 ASP HB2 1 52 TRP HE3 2.500 2.500 6.700 6.089 5.738 6.384 . 0 0 "[ . 1 . 2]" 1
606 1 50 GLY HA3 1 52 TRP HE3 2.500 2.500 7.000 6.063 4.471 7.057 0.057 17 0 "[ . 1 . 2]" 1
607 1 50 GLY HA3 1 52 TRP HH2 2.500 2.500 6.200 4.461 3.131 5.594 . 0 0 "[ . 1 . 2]" 1
608 1 50 GLY HA2 1 52 TRP HH2 2.500 2.500 5.700 4.930 3.393 5.809 0.109 18 0 "[ . 1 . 2]" 1
609 1 49 LYS HB2 1 52 TRP HH2 2.500 2.500 6.200 5.710 4.267 6.442 0.242 12 0 "[ . 1 . 2]" 1
610 1 49 LYS HA 1 52 TRP HZ2 2.500 2.500 5.700 4.537 2.902 5.712 0.012 3 0 "[ . 1 . 2]" 1
611 1 48 ALA HA 1 52 TRP HZ2 2.500 2.500 6.500 5.622 4.246 6.678 0.178 5 0 "[ . 1 . 2]" 1
612 1 50 GLY HA3 1 52 TRP HZ2 2.500 2.500 6.200 3.376 2.417 4.786 0.083 9 0 "[ . 1 . 2]" 1
613 1 50 GLY HA2 1 52 TRP HZ2 2.500 2.500 6.200 3.809 2.681 4.880 . 0 0 "[ . 1 . 2]" 1
614 1 49 LYS HB3 1 52 TRP HZ2 2.500 2.500 6.200 4.652 2.808 5.436 . 0 0 "[ . 1 . 2]" 1
615 1 49 LYS HB2 1 52 TRP HZ2 2.500 2.500 6.200 3.506 2.483 4.120 0.017 10 0 "[ . 1 . 2]" 1
616 1 49 LYS QG 1 52 TRP HZ2 2.500 2.500 7.000 4.608 3.650 5.472 . 0 0 "[ . 1 . 2]" 1
617 1 48 ALA MB 1 52 TRP HZ2 2.500 2.500 7.000 4.193 2.761 5.403 . 0 0 "[ . 1 . 2]" 1
618 1 62 ALA MB 1 63 ASP H 1.800 . 6.000 2.918 1.978 3.522 . 0 0 "[ . 1 . 2]" 1
619 1 65 PRO QB 1 66 ARG H 1.800 . 6.000 2.498 1.804 3.678 . 0 0 "[ . 1 . 2]" 1
620 1 18 THR HB 1 20 LYS H 1.800 . 5.000 4.686 3.741 5.069 0.069 12 0 "[ . 1 . 2]" 1
621 1 44 ILE HB 1 45 CYS H 1.800 . 5.000 4.514 4.206 4.628 . 0 0 "[ . 1 . 2]" 1
622 1 44 ILE HB 1 46 ARG H 2.500 2.500 6.000 4.902 4.376 5.378 . 0 0 "[ . 1 . 2]" 1
623 1 58 THR HB 1 60 GLN H 1.800 . 5.000 3.256 3.006 3.964 . 0 0 "[ . 1 . 2]" 1
624 1 58 THR HB 1 61 SER H 2.500 2.500 6.000 4.510 3.948 5.168 . 0 0 "[ . 1 . 2]" 1
625 1 58 THR HA 1 61 SER H 1.800 . 5.000 5.021 4.924 5.101 0.101 5 0 "[ . 1 . 2]" 1
626 1 7 SER H 1 8 SER HA 2.500 2.500 6.000 4.751 4.514 5.014 . 0 0 "[ . 1 . 2]" 1
627 1 6 CYS HA 1 8 SER H 1.800 . 5.000 4.067 3.604 4.457 . 0 0 "[ . 1 . 2]" 1
628 1 8 SER HA 1 10 GLU H 2.500 2.500 6.000 3.650 3.441 4.051 . 0 0 "[ . 1 . 2]" 1
629 1 9 PRO HA 1 11 ASN H 1.800 . 5.000 4.031 3.700 4.579 . 0 0 "[ . 1 . 2]" 1
630 1 12 PRO HA 1 14 CYS H 2.500 2.500 6.000 3.649 3.403 4.221 . 0 0 "[ . 1 . 2]" 1
631 1 15 ASP HA 1 17 ALA H 1.800 . 5.000 3.653 3.470 4.078 . 0 0 "[ . 1 . 2]" 1
632 1 16 ALA HA 1 19 CYS H 1.800 . 5.000 3.167 2.618 3.823 . 0 0 "[ . 1 . 2]" 1
633 1 23 PRO HA 1 25 ALA H 1.800 . 5.000 4.235 3.886 4.940 . 0 0 "[ . 1 . 2]" 1
634 1 28 GLY H 1 29 GLU HA 2.500 2.500 6.000 4.797 4.489 5.194 . 0 0 "[ . 1 . 2]" 1
635 1 27 CYS HA 1 29 GLU H 1.800 . 5.000 3.889 3.451 4.433 . 0 0 "[ . 1 . 2]" 1
636 1 32 CYS H 1 33 CYS HA 2.500 2.500 6.000 4.780 4.477 5.347 . 0 0 "[ . 1 . 2]" 1
637 1 30 GLY HA2 1 33 CYS H 2.500 2.500 6.000 5.361 4.415 6.019 0.019 17 0 "[ . 1 . 2]" 1
638 1 30 GLY HA3 1 33 CYS H 1.800 . 5.000 4.297 3.262 4.917 . 0 0 "[ . 1 . 2]" 1
639 1 34 GLU H 1 35 GLN HA 2.500 2.500 6.000 5.817 5.619 5.927 . 0 0 "[ . 1 . 2]" 1
640 1 34 GLU H 1 38 PHE HA 2.500 2.500 6.000 3.736 2.454 4.200 0.046 11 0 "[ . 1 . 2]" 1
641 1 34 GLU HA 1 36 CYS H 1.800 . 5.000 5.000 4.915 5.061 0.061 4 0 "[ . 1 . 2]" 1
642 1 33 CYS HA 1 37 LYS H 2.500 2.500 6.000 4.257 3.790 4.595 . 0 0 "[ . 1 . 2]" 1
643 1 35 GLN HA 1 37 LYS H 2.500 2.500 6.000 4.375 4.251 4.533 . 0 0 "[ . 1 . 2]" 1
644 1 37 LYS HA 1 39 SER H 2.500 2.500 6.000 5.866 5.685 6.026 0.026 5 0 "[ . 1 . 2]" 1
645 1 41 ALA HA 1 43 LYS H 1.800 . 5.000 3.065 2.908 3.214 . 0 0 "[ . 1 . 2]" 1
646 1 41 ALA MB 1 43 LYS H 2.500 2.500 7.000 4.023 3.838 4.216 . 0 0 "[ . 1 . 2]" 1
647 1 44 ILE HA 1 46 ARG H 1.800 . 5.000 3.330 3.204 3.488 . 0 0 "[ . 1 . 2]" 1
648 1 58 THR HA 1 60 GLN H 1.800 . 5.000 4.179 4.033 4.285 . 0 0 "[ . 1 . 2]" 1
649 1 61 SER HA 1 63 ASP H 1.800 . 5.000 3.981 3.565 4.982 . 0 0 "[ . 1 . 2]" 1
650 1 3 GLU HA 1 4 CYS HA 2.500 2.500 6.000 4.395 4.340 4.477 . 0 0 "[ . 1 . 2]" 1
651 1 6 CYS HA 1 7 SER HA 2.500 2.500 6.000 4.462 4.417 4.538 . 0 0 "[ . 1 . 2]" 1
652 1 4 CYS HB3 1 7 SER HA 2.500 2.500 6.000 4.425 3.554 5.740 . 0 0 "[ . 1 . 2]" 1
653 1 4 CYS HB2 1 7 SER HA 2.500 2.500 6.000 5.406 4.805 6.002 0.002 12 0 "[ . 1 . 2]" 1
654 1 8 SER HA 1 9 PRO HA 1.800 . 5.000 4.456 4.421 4.496 . 0 0 "[ . 1 . 2]" 1
655 1 8 SER HA 1 9 PRO QB 1.800 . 6.000 4.572 4.535 4.622 . 0 0 "[ . 1 . 2]" 1
656 1 8 SER HA 1 10 GLU QB 2.500 2.500 7.000 5.138 4.767 6.015 . 0 0 "[ . 1 . 2]" 1
657 1 8 SER HB2 1 11 ASN HB3 1.800 . 5.000 3.999 2.485 5.019 0.019 7 0 "[ . 1 . 2]" 1
658 1 8 SER HB2 1 11 ASN HB2 1.800 . 5.000 2.724 1.881 3.400 . 0 0 "[ . 1 . 2]" 1
659 1 8 SER HB2 1 10 GLU QB 2.500 2.500 7.000 4.463 3.332 5.533 . 0 0 "[ . 1 . 2]" 1
660 1 13 CYS HA 1 14 CYS QB 1.800 . 6.000 4.874 4.527 5.376 . 0 0 "[ . 1 . 2]" 1
661 1 13 CYS HA 1 14 CYS HA 2.500 2.500 6.000 4.425 4.356 4.528 . 0 0 "[ . 1 . 2]" 1
662 1 14 CYS HA 1 15 ASP HA 2.500 2.500 6.000 4.466 4.376 4.638 . 0 0 "[ . 1 . 2]" 1
663 1 14 CYS HA 1 15 ASP HB3 1.800 . 5.000 5.021 4.851 5.252 0.252 4 0 "[ . 1 . 2]" 1
664 1 14 CYS HA 1 15 ASP HB2 2.500 2.500 6.000 4.217 3.915 4.416 . 0 0 "[ . 1 . 2]" 1
665 1 14 CYS QB 1 15 ASP HA 2.500 2.500 6.000 4.779 4.476 5.130 . 0 0 "[ . 1 . 2]" 1
666 1 15 ASP HB3 1 18 THR MG 1.800 . 6.000 3.002 1.761 3.995 0.039 10 0 "[ . 1 . 2]" 1
667 1 15 ASP HB2 1 18 THR MG 1.800 . 6.000 3.995 2.914 4.854 . 0 0 "[ . 1 . 2]" 1
668 1 14 CYS QB 1 16 ALA HA 2.500 2.500 7.000 5.043 4.256 5.920 . 0 0 "[ . 1 . 2]" 1
669 1 16 ALA HA 1 19 CYS HA 2.500 2.500 7.000 3.349 2.673 3.941 . 0 0 "[ . 1 . 2]" 1
670 1 20 LYS HA 1 21 LEU MD1 2.500 2.500 7.000 5.101 3.388 5.899 . 0 0 "[ . 1 . 2]" 1
671 1 20 LYS HA 1 21 LEU MD2 2.500 2.500 7.000 5.519 4.536 5.974 . 0 0 "[ . 1 . 2]" 1
672 1 21 LEU QB 1 23 PRO HA 2.500 2.500 7.000 4.986 3.853 6.297 . 0 0 "[ . 1 . 2]" 1
673 1 21 LEU MD2 1 23 PRO HA 2.500 2.500 7.000 5.672 5.559 5.986 . 0 0 "[ . 1 . 2]" 1
674 1 22 ARG HD3 1 23 PRO HD2 2.500 2.500 6.000 4.830 3.117 5.899 . 0 0 "[ . 1 . 2]" 1
675 1 22 ARG HD2 1 23 PRO HD2 2.500 2.500 6.000 4.800 2.986 6.021 0.021 2 0 "[ . 1 . 2]" 1
676 1 21 LEU QB 1 23 PRO HD2 1.800 . 6.000 4.210 2.558 5.556 . 0 0 "[ . 1 . 2]" 1
677 1 24 GLY HA2 1 25 ALA MB 2.500 2.500 7.000 4.860 4.619 5.008 . 0 0 "[ . 1 . 2]" 1
678 1 25 ALA HA 1 26 GLN HG3 2.500 2.500 6.000 5.129 3.865 6.007 0.007 10 0 "[ . 1 . 2]" 1
679 1 25 ALA HA 1 26 GLN HA 2.500 2.500 6.000 4.497 4.388 4.645 . 0 0 "[ . 1 . 2]" 1
680 1 27 CYS HA 1 28 GLY HA2 1.800 . 5.000 4.437 4.400 4.518 . 0 0 "[ . 1 . 2]" 1
681 1 26 GLN HG3 1 27 CYS HB3 2.500 2.500 6.000 5.468 3.297 6.071 0.071 11 0 "[ . 1 . 2]" 1
682 1 26 GLN HB3 1 27 CYS HB3 2.500 2.500 6.000 3.933 3.205 5.374 . 0 0 "[ . 1 . 2]" 1
683 1 26 GLN HB2 1 27 CYS HB3 2.500 2.500 6.000 4.634 3.798 5.341 . 0 0 "[ . 1 . 2]" 1
684 1 28 GLY HA2 1 29 GLU HB3 2.500 2.500 6.000 4.693 4.492 5.484 . 0 0 "[ . 1 . 2]" 1
685 1 28 GLY HA2 1 29 GLU HB2 2.500 2.500 6.000 5.888 4.586 6.087 0.087 2 0 "[ . 1 . 2]" 1
686 1 28 GLY HA2 1 29 GLU QG 2.500 2.500 7.000 4.769 4.189 5.896 . 0 0 "[ . 1 . 2]" 1
687 1 29 GLU HA 1 33 CYS HB3 2.500 2.500 6.000 3.673 2.599 4.592 . 0 0 "[ . 1 . 2]" 1
688 1 29 GLU HA 1 33 CYS HB2 2.500 2.500 6.000 4.027 2.904 5.842 . 0 0 "[ . 1 . 2]" 1
689 1 30 GLY HA3 1 31 LEU HB2 2.500 2.500 6.000 4.763 4.606 4.903 . 0 0 "[ . 1 . 2]" 1
690 1 30 GLY HA3 1 31 LEU QD 1.800 . 7.400 4.950 4.060 5.492 . 0 0 "[ . 1 . 2]" 1
691 1 30 GLY HA2 1 33 CYS HB3 2.500 2.500 6.000 5.237 4.227 6.037 0.037 8 0 "[ . 1 . 2]" 1
692 1 31 LEU HA 1 32 CYS HA 2.500 2.500 6.000 4.554 4.497 4.688 . 0 0 "[ . 1 . 2]" 1
693 1 31 LEU QD 1 32 CYS HA 2.500 2.500 7.000 4.489 4.071 4.769 . 0 0 "[ . 1 . 2]" 1
694 1 33 CYS HA 1 34 GLU HB3 2.500 2.500 6.000 5.152 4.571 5.736 . 0 0 "[ . 1 . 2]" 1
695 1 33 CYS HA 1 34 GLU HB2 2.500 2.500 6.000 4.726 4.250 5.804 . 0 0 "[ . 1 . 2]" 1
696 1 33 CYS HA 1 34 GLU QG 2.500 2.500 7.000 4.988 3.246 5.892 . 0 0 "[ . 1 . 2]" 1
697 1 33 CYS HA 1 34 GLU HA 2.500 2.500 6.000 4.510 4.425 4.578 . 0 0 "[ . 1 . 2]" 1
698 1 37 LYS HA 1 38 PHE HA 2.500 2.500 6.000 4.411 4.377 4.505 . 0 0 "[ . 1 . 2]" 1
699 1 38 PHE HA 1 39 SER HA 1.800 . 5.000 4.466 4.433 4.500 . 0 0 "[ . 1 . 2]" 1
700 1 39 SER HB3 1 43 LYS QE 2.500 2.500 7.000 3.494 2.046 4.689 0.454 19 0 "[ . 1 . 2]" 1
701 1 39 SER HB2 1 43 LYS QD 1.800 . 6.000 3.730 1.934 5.163 . 0 0 "[ . 1 . 2]" 1
702 1 39 SER HB2 1 43 LYS HG3 1.800 . 5.000 4.890 4.337 5.044 0.044 17 0 "[ . 1 . 2]" 1
703 1 39 SER HB2 1 43 LYS HG2 2.500 2.500 6.000 3.442 2.962 4.415 . 0 0 "[ . 1 . 2]" 1
704 1 40 ARG HA 1 41 ALA HA 1.800 . 5.000 4.388 4.367 4.421 . 0 0 "[ . 1 . 2]" 1
705 1 38 PHE HB2 1 40 ARG HA 2.500 2.500 6.000 6.023 5.703 6.089 0.089 4 0 "[ . 1 . 2]" 1
706 1 40 ARG HA 1 41 ALA MB 1.800 . 6.000 4.117 4.043 4.322 . 0 0 "[ . 1 . 2]" 1
707 1 41 ALA MB 1 42 GLY HA2 2.500 2.500 7.000 4.008 3.896 4.133 . 0 0 "[ . 1 . 2]" 1
708 1 42 GLY HA2 1 44 ILE HA 2.500 2.500 6.000 5.895 5.711 6.070 0.070 15 0 "[ . 1 . 2]" 1
709 1 44 ILE HA 1 45 CYS HB2 2.500 2.500 6.000 5.679 4.331 5.802 . 0 0 "[ . 1 . 2]" 1
710 1 45 CYS HA 1 46 ARG HA 1.800 . 5.000 4.542 4.487 4.614 . 0 0 "[ . 1 . 2]" 1
711 1 44 ILE HA 1 45 CYS HA 1.800 . 5.000 4.497 4.431 4.544 . 0 0 "[ . 1 . 2]" 1
712 1 43 LYS HG3 1 45 CYS HA 2.500 2.500 6.000 3.636 3.344 4.257 . 0 0 "[ . 1 . 2]" 1
713 1 43 LYS HG2 1 45 CYS HA 2.500 2.500 6.000 4.548 4.379 4.746 . 0 0 "[ . 1 . 2]" 1
714 1 44 ILE MD 1 45 CYS HA 1.800 . 6.000 4.749 4.290 4.909 . 0 0 "[ . 1 . 2]" 1
715 1 46 ARG H 1 47 ILE HA 2.500 2.500 7.000 4.554 4.342 4.717 . 0 0 "[ . 1 . 2]" 1
716 1 44 ILE QG 1 46 ARG H 2.500 2.500 7.000 3.453 1.880 4.881 0.620 6 1 "[ .+ 1 . 2]" 1
717 1 44 ILE HA 1 46 ARG HA 1.800 . 6.000 5.983 5.806 6.093 0.093 17 0 "[ . 1 . 2]" 1
718 1 46 ARG HA 1 47 ILE MG 1.800 . 6.000 3.770 3.536 4.108 . 0 0 "[ . 1 . 2]" 1
719 1 46 ARG HA 1 47 ILE MD 2.500 2.500 7.000 5.675 5.379 5.815 . 0 0 "[ . 1 . 2]" 1
720 1 47 ILE MG 1 49 LYS HA 2.500 2.500 7.000 4.749 3.825 5.874 . 0 0 "[ . 1 . 2]" 1
721 1 47 ILE MD 1 49 LYS HA 2.500 2.500 7.000 5.438 3.139 5.842 . 0 0 "[ . 1 . 2]" 1
722 1 50 GLY HA3 1 51 ASP HA 2.500 2.500 7.000 4.672 4.442 5.246 . 0 0 "[ . 1 . 2]" 1
723 1 48 ALA MB 1 52 TRP HA 2.500 2.500 6.500 4.439 1.778 5.272 0.722 4 1 "[ +. 1 . 2]" 1
724 1 48 ALA MB 1 52 TRP HB3 2.500 2.500 6.500 4.449 3.563 4.900 . 0 0 "[ . 1 . 2]" 1
725 1 48 ALA MB 1 52 TRP HB2 2.500 2.500 6.500 3.905 3.253 4.505 . 0 0 "[ . 1 . 2]" 1
726 1 56 ARG HA 1 57 CYS HA 2.500 2.500 6.000 4.450 4.377 4.621 . 0 0 "[ . 1 . 2]" 1
727 1 56 ARG HA 1 57 CYS HB2 2.500 2.500 6.000 4.790 4.342 5.109 . 0 0 "[ . 1 . 2]" 1
728 1 57 CYS HA 1 58 THR MG 1.800 . 6.000 3.325 3.152 3.562 . 0 0 "[ . 1 . 2]" 1
729 1 58 THR HB 1 60 GLN QB 1.800 . 6.000 4.621 3.828 5.405 . 0 0 "[ . 1 . 2]" 1
730 1 58 THR HB 1 60 GLN QG 1.800 . 6.000 4.503 3.039 5.298 . 0 0 "[ . 1 . 2]" 1
731 1 59 GLY HA3 1 60 GLN QG 1.800 . 6.000 3.647 3.027 5.053 . 0 0 "[ . 1 . 2]" 1
732 1 63 ASP HA 1 64 CYS HB3 2.500 2.500 6.000 4.583 3.879 5.444 . 0 0 "[ . 1 . 2]" 1
733 1 63 ASP HA 1 64 CYS HB2 2.500 2.500 6.000 4.478 4.299 5.249 . 0 0 "[ . 1 . 2]" 1
734 1 64 CYS HA 1 65 PRO HA 2.500 2.500 6.000 4.412 4.359 4.480 . 0 0 "[ . 1 . 2]" 1
735 1 64 CYS HA 1 65 PRO HD3 1.800 . 2.800 1.896 1.796 2.062 0.004 4 0 "[ . 1 . 2]" 1
736 1 64 CYS HA 1 65 PRO HD2 1.800 . 2.800 2.189 2.082 2.297 . 0 0 "[ . 1 . 2]" 1
737 1 63 ASP HB3 1 64 CYS HA 2.500 2.500 6.000 4.746 4.317 5.098 . 0 0 "[ . 1 . 2]" 1
738 1 63 ASP HB2 1 64 CYS HA 2.500 2.500 6.000 4.404 4.121 5.074 . 0 0 "[ . 1 . 2]" 1
739 1 64 CYS HA 1 65 PRO HB2 2.500 2.500 6.000 5.340 5.327 5.364 . 0 0 "[ . 1 . 2]" 1
740 1 64 CYS HA 1 65 PRO HB3 1.800 . 5.000 4.865 4.792 5.025 0.025 6 0 "[ . 1 . 2]" 1
741 1 64 CYS HA 1 65 PRO HG3 1.800 . 5.000 4.114 4.043 4.229 . 0 0 "[ . 1 . 2]" 1
742 1 64 CYS HA 1 65 PRO HG2 1.800 . 5.000 4.269 4.233 4.333 . 0 0 "[ . 1 . 2]" 1
743 1 63 ASP HB3 1 65 PRO HA 2.500 2.500 6.000 5.810 4.863 6.039 0.039 5 0 "[ . 1 . 2]" 1
744 1 63 ASP HB2 1 65 PRO HA 2.500 2.500 6.000 5.626 4.860 6.047 0.047 17 0 "[ . 1 . 2]" 1
745 1 64 CYS HB3 1 65 PRO HD3 2.500 2.500 6.000 4.639 3.612 4.772 . 0 0 "[ . 1 . 2]" 1
746 1 64 CYS HB2 1 65 PRO HD3 2.500 2.500 6.000 4.264 3.799 4.460 . 0 0 "[ . 1 . 2]" 1
747 1 64 CYS HB3 1 65 PRO HD2 2.500 2.500 6.000 4.319 2.635 4.879 . 0 0 "[ . 1 . 2]" 1
748 1 64 CYS HB2 1 65 PRO HD2 2.500 2.500 6.000 3.908 3.192 4.304 . 0 0 "[ . 1 . 2]" 1
749 1 34 GLU H 1 38 PHE QD 2.500 2.500 7.000 5.143 4.746 5.627 . 0 0 "[ . 1 . 2]" 1
750 1 37 LYS HA 1 38 PHE QD 2.500 2.500 7.000 4.765 3.316 5.161 . 0 0 "[ . 1 . 2]" 1
751 1 66 ARG HA 1 67 TYR QD 2.500 2.500 7.000 4.457 2.450 5.865 0.050 15 0 "[ . 1 . 2]" 1
752 1 67 TYR H 1 67 TYR QD 1.800 . 7.400 3.647 2.245 4.494 . 0 0 "[ . 1 . 2]" 1
753 1 67 TYR QD 1 68 HIS H 1.800 . 7.400 3.779 2.066 4.846 . 0 0 "[ . 1 . 2]" 1
754 1 8 SER H 1 11 ASN HD22 2.500 2.500 6.000 5.860 5.531 6.053 0.053 10 0 "[ . 1 . 2]" 1
755 1 8 SER HB2 1 11 ASN HD22 2.500 2.500 6.000 5.309 4.321 6.017 0.017 5 0 "[ . 1 . 2]" 1
756 1 8 SER HB2 1 11 ASN HD21 2.500 2.500 6.000 4.231 3.069 5.354 . 0 0 "[ . 1 . 2]" 1
757 1 8 SER H 1 11 ASN HD21 2.500 2.500 6.000 4.431 3.864 5.066 . 0 0 "[ . 1 . 2]" 1
758 1 11 ASN HD22 1 13 CYS HB2 2.500 2.500 6.000 3.585 2.486 5.154 0.014 3 0 "[ . 1 . 2]" 1
759 1 11 ASN HD22 1 13 CYS H 2.500 2.500 6.000 4.245 2.821 5.587 . 0 0 "[ . 1 . 2]" 1
760 1 11 ASN HD21 1 13 CYS HB2 2.500 2.500 6.000 4.108 2.488 6.029 0.029 17 0 "[ . 1 . 2]" 1
761 1 11 ASN HD21 1 13 CYS H 2.500 2.500 6.000 4.368 3.397 5.319 . 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 2.015 2.007 2.024 . 0 0 "[ . 1 . 2]" 2
2 1 6 CYS SG 1 14 CYS SG 2.020 . 2.120 2.020 2.016 2.027 . 0 0 "[ . 1 . 2]" 2
3 1 13 CYS SG 1 36 CYS SG 2.020 . 2.120 2.017 1.986 2.026 . 0 0 "[ . 1 . 2]" 2
4 1 27 CYS SG 1 33 CYS SG 2.020 . 2.120 2.018 2.011 2.022 . 0 0 "[ . 1 . 2]" 2
5 1 32 CYS SG 1 57 CYS SG 2.020 . 2.120 2.020 2.013 2.027 . 0 0 "[ . 1 . 2]" 2
6 1 45 CYS SG 1 64 CYS SG 2.020 . 2.120 2.017 2.009 2.021 . 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 69
_Distance_constraint_stats_list.Viol_count 657
_Distance_constraint_stats_list.Viol_total 1289.930
_Distance_constraint_stats_list.Viol_max 0.255
_Distance_constraint_stats_list.Viol_rms 0.0637
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0467
_Distance_constraint_stats_list.Viol_average_violations_only 0.0982
_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 1.120 0.137 3 0 "[ . 1 . 2]"
1 4 CYS 1.777 0.190 10 0 "[ . 1 . 2]"
1 6 CYS 0.353 0.122 12 0 "[ . 1 . 2]"
1 7 SER 0.395 0.071 3 0 "[ . 1 . 2]"
1 8 SER 1.158 0.201 10 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 1.149 0.161 2 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 1.002 0.191 17 0 "[ . 1 . 2]"
1 15 ASP 3.125 0.192 16 0 "[ . 1 . 2]"
1 16 ALA 2.059 0.149 16 0 "[ . 1 . 2]"
1 18 THR 0.959 0.181 16 0 "[ . 1 . 2]"
1 19 CYS 1.404 0.146 8 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 1.835 0.152 11 0 "[ . 1 . 2]"
1 26 GLN 1.474 0.201 13 0 "[ . 1 . 2]"
1 27 CYS 1.931 0.198 2 0 "[ . 1 . 2]"
1 30 GLY 1.058 0.097 8 0 "[ . 1 . 2]"
1 31 LEU 1.865 0.131 5 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 2.481 0.183 9 0 "[ . 1 . 2]"
1 35 GLN 0.642 0.048 13 0 "[ . 1 . 2]"
1 36 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 0.998 0.209 18 0 "[ . 1 . 2]"
1 40 ARG 4.671 0.204 3 0 "[ . 1 . 2]"
1 42 GLY 1.014 0.117 12 0 "[ . 1 . 2]"
1 43 LYS 2.990 0.177 15 0 "[ . 1 . 2]"
1 44 ILE 1.046 0.149 17 0 "[ . 1 . 2]"
1 45 CYS 0.153 0.119 8 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 1.115 0.166 8 0 "[ . 1 . 2]"
1 49 LYS 3.210 0.206 16 0 "[ . 1 . 2]"
1 50 GLY 1.909 0.172 8 0 "[ . 1 . 2]"
1 51 ASP 3.341 0.165 2 0 "[ . 1 . 2]"
1 52 TRP 1.254 0.255 12 0 "[ . 1 . 2]"
1 54 ASP 1.673 0.199 4 0 "[ . 1 . 2]"
1 55 ASP 2.940 0.207 10 0 "[ . 1 . 2]"
1 56 ARG 2.549 0.207 10 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.323 0.166 15 0 "[ . 1 . 2]"
1 63 ASP 3.690 0.208 12 0 "[ . 1 . 2]"
1 66 ARG 2.269 0.168 11 0 "[ . 1 . 2]"
1 67 TYR 3.563 0.198 3 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 1.800 . 2.800 2.853 2.836 2.897 0.097 8 0 "[ . 1 . 2]" 3
2 1 42 GLY H 1 42 GLY HA3 1.800 . 2.800 2.850 2.791 2.917 0.117 12 0 "[ . 1 . 2]" 3
3 1 50 GLY H 1 50 GLY HA3 1.800 . 2.800 2.578 2.343 2.840 0.040 1 0 "[ . 1 . 2]" 3
4 1 50 GLY H 1 50 GLY HA2 1.800 . 2.800 2.889 2.834 2.972 0.172 8 0 "[ . 1 . 2]" 3
5 1 59 GLY H 1 59 GLY QA 1.800 . 2.800 2.303 2.249 2.339 . 0 0 "[ . 1 . 2]" 3
6 1 11 ASN H 1 11 ASN HA 1.800 . 2.800 2.857 2.832 2.961 0.161 2 0 "[ . 1 . 2]" 3
7 1 16 ALA H 1 16 ALA HA 1.800 . 2.800 2.903 2.855 2.949 0.149 16 0 "[ . 1 . 2]" 3
8 1 19 CYS H 1 19 CYS HA 1.800 . 2.800 2.359 2.340 2.380 . 0 0 "[ . 1 . 2]" 3
9 1 25 ALA H 1 25 ALA HA 1.800 . 2.800 2.892 2.834 2.952 0.152 11 0 "[ . 1 . 2]" 3
10 1 27 CYS H 1 27 CYS HA 1.800 . 2.800 2.860 2.831 2.918 0.118 12 0 "[ . 1 . 2]" 3
11 1 31 LEU HA 1 33 CYS H 2.500 2.500 6.000 4.353 3.707 4.987 . 0 0 "[ . 1 . 2]" 3
12 1 35 GLN H 1 35 GLN HA 1.800 . 2.800 2.832 2.819 2.848 0.048 13 0 "[ . 1 . 2]" 3
13 1 36 CYS H 1 36 CYS HA 1.800 . 2.800 2.347 2.341 2.357 . 0 0 "[ . 1 . 2]" 3
14 1 40 ARG H 1 40 ARG HA 1.800 . 2.800 2.926 2.878 2.954 0.154 4 0 "[ . 1 . 2]" 3
15 1 43 LYS H 1 43 LYS HA 1.800 . 2.800 2.950 2.925 2.977 0.177 15 0 "[ . 1 . 2]" 3
16 1 48 ALA H 1 48 ALA HA 1.800 . 2.800 2.830 2.360 2.966 0.166 8 0 "[ . 1 . 2]" 3
17 1 51 ASP H 1 51 ASP HA 1.800 . 2.800 2.781 2.354 2.965 0.165 2 0 "[ . 1 . 2]" 3
18 1 52 TRP H 1 52 TRP HE3 2.500 2.500 6.000 4.705 2.245 5.705 0.255 12 0 "[ . 1 . 2]" 3
19 1 52 TRP H 1 52 TRP HD1 2.500 2.500 6.000 3.396 2.445 5.252 0.055 11 0 "[ . 1 . 2]" 3
20 1 66 ARG H 1 66 ARG HA 1.800 . 2.800 2.913 2.841 2.968 0.168 11 0 "[ . 1 . 2]" 3
21 1 67 TYR H 1 67 TYR HA 1.800 . 2.800 2.896 2.825 2.968 0.168 19 0 "[ . 1 . 2]" 3
22 1 3 GLU HA 1 3 GLU HB3 1.800 . 2.800 2.641 2.308 2.879 0.079 9 0 "[ . 1 . 2]" 3
23 1 3 GLU HA 1 3 GLU HB2 1.800 . 2.800 2.719 2.416 2.937 0.137 3 0 "[ . 1 . 2]" 3
24 1 4 CYS HA 1 4 CYS HB3 1.800 . 2.800 2.795 2.458 2.990 0.190 10 0 "[ . 1 . 2]" 3
25 1 6 CYS HA 1 6 CYS HB3 1.800 . 2.800 2.595 2.320 2.922 0.122 12 0 "[ . 1 . 2]" 3
26 1 7 SER HA 1 7 SER HB3 1.800 . 2.800 2.545 2.248 2.845 0.045 9 0 "[ . 1 . 2]" 3
27 1 7 SER HA 1 7 SER HB2 1.800 . 2.800 2.570 2.278 2.871 0.071 3 0 "[ . 1 . 2]" 3
28 1 8 SER HA 1 8 SER HB3 1.800 . 2.800 2.535 2.243 3.001 0.201 10 0 "[ . 1 . 2]" 3
29 1 8 SER HA 1 8 SER HB2 1.800 . 2.800 2.791 2.515 2.913 0.113 18 0 "[ . 1 . 2]" 3
30 1 9 PRO HA 1 9 PRO HB3 1.800 . 2.800 2.306 2.303 2.308 . 0 0 "[ . 1 . 2]" 3
31 1 10 GLU HA 1 10 GLU QB 1.800 . 2.800 2.419 2.197 2.547 . 0 0 "[ . 1 . 2]" 3
32 1 12 PRO HA 1 12 PRO HB3 1.800 . 2.800 2.306 2.298 2.312 . 0 0 "[ . 1 . 2]" 3
33 1 13 CYS HA 1 13 CYS HB3 1.800 . 2.800 2.740 2.362 2.991 0.191 17 0 "[ . 1 . 2]" 3
34 1 15 ASP HA 1 15 ASP HB3 1.800 . 2.800 2.956 2.904 2.992 0.192 16 0 "[ . 1 . 2]" 3
35 1 15 ASP HA 1 15 ASP HB2 1.800 . 2.800 2.675 2.573 2.779 . 0 0 "[ . 1 . 2]" 3
36 1 18 THR HA 1 18 THR HB 1.800 . 2.800 2.594 2.293 2.981 0.181 16 0 "[ . 1 . 2]" 3
37 1 19 CYS HA 1 19 CYS HB3 1.800 . 2.800 2.751 2.367 2.946 0.146 8 0 "[ . 1 . 2]" 3
38 1 19 CYS HA 1 19 CYS HB2 1.800 . 2.800 2.736 2.406 2.889 0.089 19 0 "[ . 1 . 2]" 3
39 1 20 LYS HA 1 20 LYS HB3 1.800 . 2.800 2.668 2.432 2.798 . 0 0 "[ . 1 . 2]" 3
40 1 23 PRO HA 1 23 PRO HB3 1.800 . 2.800 2.301 2.267 2.321 . 0 0 "[ . 1 . 2]" 3
41 1 26 GLN HA 1 26 GLN HB2 1.800 . 2.800 2.814 2.353 3.001 0.201 13 0 "[ . 1 . 2]" 3
42 1 27 CYS HA 1 27 CYS HB3 1.800 . 2.800 2.625 2.370 2.998 0.198 2 0 "[ . 1 . 2]" 3
43 1 27 CYS HA 1 27 CYS HB2 1.800 . 2.800 2.397 2.246 2.549 . 0 0 "[ . 1 . 2]" 3
44 1 31 LEU HA 1 31 LEU HB3 1.800 . 2.800 2.782 2.680 2.840 0.040 17 0 "[ . 1 . 2]" 3
45 1 31 LEU HA 1 31 LEU HB2 1.800 . 2.800 2.886 2.847 2.931 0.131 5 0 "[ . 1 . 2]" 3
46 1 34 GLU HA 1 34 GLU HB3 1.800 . 2.800 2.748 2.269 2.979 0.179 15 0 "[ . 1 . 2]" 3
47 1 34 GLU HA 1 34 GLU HB2 1.800 . 2.800 2.718 2.406 2.983 0.183 9 0 "[ . 1 . 2]" 3
48 1 39 SER HA 1 39 SER HB3 1.800 . 2.800 2.491 2.248 2.851 0.051 5 0 "[ . 1 . 2]" 3
49 1 39 SER HA 1 39 SER HB2 1.800 . 2.800 2.627 2.322 3.009 0.209 18 0 "[ . 1 . 2]" 3
50 1 40 ARG HA 1 40 ARG HB3 1.800 . 2.800 2.656 2.302 2.885 0.085 19 0 "[ . 1 . 2]" 3
51 1 40 ARG HA 1 40 ARG HB2 1.800 . 2.800 2.836 2.480 3.004 0.204 3 0 "[ . 1 . 2]" 3
52 1 44 ILE HA 1 44 ILE HB 1.800 . 2.800 2.615 2.376 2.949 0.149 17 0 "[ . 1 . 2]" 3
53 1 45 CYS HA 1 45 CYS HB3 1.800 . 2.800 2.435 2.302 2.834 0.034 4 0 "[ . 1 . 2]" 3
54 1 45 CYS HA 1 45 CYS HB2 1.800 . 2.800 2.544 2.262 2.919 0.119 8 0 "[ . 1 . 2]" 3
55 1 47 ILE HA 1 47 ILE HB 1.800 . 2.800 2.461 2.390 2.565 . 0 0 "[ . 1 . 2]" 3
56 1 49 LYS HA 1 49 LYS HB3 1.800 . 2.800 2.460 2.324 2.684 . 0 0 "[ . 1 . 2]" 3
57 1 49 LYS HA 1 49 LYS HB2 1.800 . 2.800 2.898 2.374 3.006 0.206 16 0 "[ . 1 . 2]" 3
58 1 51 ASP HA 1 51 ASP HB3 1.800 . 2.800 2.837 2.762 2.904 0.104 11 0 "[ . 1 . 2]" 3
59 1 51 ASP HA 1 51 ASP HB2 1.800 . 2.800 2.849 2.773 2.926 0.126 8 0 "[ . 1 . 2]" 3
60 1 54 ASP HA 1 54 ASP HB3 1.800 . 2.800 2.529 2.245 2.835 0.035 8 0 "[ . 1 . 2]" 3
61 1 54 ASP HA 1 54 ASP HB2 1.800 . 2.800 2.816 2.561 2.999 0.199 4 0 "[ . 1 . 2]" 3
62 1 55 ASP HA 1 55 ASP HB3 1.800 . 2.800 2.666 2.297 2.976 0.176 1 0 "[ . 1 . 2]" 3
63 1 55 ASP HA 1 55 ASP HB2 1.800 . 2.800 2.883 2.625 3.007 0.207 10 0 "[ . 1 . 2]" 3
64 1 56 ARG HA 1 56 ARG HB2 1.800 . 2.800 2.890 2.575 3.007 0.207 10 0 "[ . 1 . 2]" 3
65 1 61 SER HA 1 61 SER HB2 1.800 . 2.800 2.502 2.264 2.966 0.166 15 0 "[ . 1 . 2]" 3
66 1 63 ASP HA 1 63 ASP HB3 1.800 . 2.800 2.383 2.271 2.658 . 0 0 "[ . 1 . 2]" 3
67 1 63 ASP HA 1 63 ASP HB2 1.800 . 2.800 2.985 2.936 3.008 0.208 12 0 "[ . 1 . 2]" 3
68 1 67 TYR HA 1 67 TYR HB3 1.800 . 2.800 2.719 2.246 2.998 0.198 3 0 "[ . 1 . 2]" 3
69 1 67 TYR HA 1 67 TYR HB2 1.800 . 2.800 2.702 2.433 2.930 0.130 4 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 69
_Distance_constraint_stats_list.Viol_total 134.592
_Distance_constraint_stats_list.Viol_max 0.344
_Distance_constraint_stats_list.Viol_rms 0.0712
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0374
_Distance_constraint_stats_list.Viol_average_violations_only 0.0975
_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 0.828 0.230 4 0 "[ . 1 . 2]"
1 15 ASP 1.416 0.207 8 0 "[ . 1 . 2]"
1 20 LYS 1.416 0.207 8 0 "[ . 1 . 2]"
1 22 ARG 0.828 0.230 4 0 "[ . 1 . 2]"
1 32 CYS 0.011 0.011 16 0 "[ . 1 . 2]"
1 34 GLU 0.337 0.085 17 0 "[ . 1 . 2]"
1 37 LYS 0.337 0.085 17 0 "[ . 1 . 2]"
1 39 SER 0.011 0.011 16 0 "[ . 1 . 2]"
1 43 LYS 4.075 0.344 5 0 "[ . 1 . 2]"
1 45 CYS 0.062 0.040 6 0 "[ . 1 . 2]"
1 55 ASP 0.062 0.040 6 0 "[ . 1 . 2]"
1 57 CYS 4.075 0.344 5 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 2.525 2.343 2.730 0.230 4 0 "[ . 1 . 2]" 4
2 1 15 ASP H 1 20 LYS O 2.000 . 2.500 2.090 2.025 2.320 . 0 0 "[ . 1 . 2]" 4
3 1 15 ASP O 1 20 LYS H 2.000 . 2.500 2.568 2.453 2.707 0.207 8 0 "[ . 1 . 2]" 4
4 1 34 GLU H 1 37 LYS O 2.000 . 2.500 2.180 2.073 2.489 . 0 0 "[ . 1 . 2]" 4
5 1 34 GLU O 1 37 LYS H 2.000 . 2.500 2.480 2.274 2.585 0.085 17 0 "[ . 1 . 2]" 4
6 1 32 CYS O 1 39 SER H 2.000 . 2.500 2.240 2.056 2.511 0.011 16 0 "[ . 1 . 2]" 4
7 1 45 CYS H 1 55 ASP O 2.000 . 2.500 2.258 2.063 2.540 0.040 6 0 "[ . 1 . 2]" 4
8 1 43 LYS O 1 57 CYS H 2.000 . 2.500 2.031 1.948 2.175 . 0 0 "[ . 1 . 2]" 4
9 1 43 LYS H 1 57 CYS O 2.000 . 2.500 2.704 2.606 2.844 0.344 5 0 "[ . 1 . 2]" 4
stop_
save_
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