NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
386451 |
1lmj   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1lmj
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 38
_Distance_constraint_stats_list.Viol_count 47
_Distance_constraint_stats_list.Viol_total 37.885
_Distance_constraint_stats_list.Viol_max 0.206
_Distance_constraint_stats_list.Viol_rms 0.0137
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0322
_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 5 GLU 0.905 0.206 22 0 "[ . 1 . 2 .]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 7 ARG 0.342 0.061 11 0 "[ . 1 . 2 .]"
1 8 ILE 0.799 0.206 22 0 "[ . 1 . 2 .]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 LEU 0.342 0.061 11 0 "[ . 1 . 2 .]"
1 15 ARG 0.157 0.046 5 0 "[ . 1 . 2 .]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 25 PHE 0.106 0.030 5 0 "[ . 1 . 2 .]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 30 ASP 0.157 0.046 5 0 "[ . 1 . 2 .]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 33 TYR 0.157 0.046 5 0 "[ . 1 . 2 .]"
1 41 LYS 0.106 0.030 5 0 "[ . 1 . 2 .]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 47 ASP 0.057 0.023 16 0 "[ . 1 . 2 .]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 61 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 62 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 64 THR 0.058 0.023 16 0 "[ . 1 . 2 .]"
1 65 GLU 0.057 0.023 16 0 "[ . 1 . 2 .]"
1 68 TYR 0.001 0.001 19 0 "[ . 1 . 2 .]"
1 72 CYS 0.053 0.053 23 0 "[ . 1 . 2 .]"
1 73 PRO 0.001 0.001 23 0 "[ . 1 . 2 .]"
1 74 PRO 0.001 0.001 23 0 "[ . 1 . 2 .]"
1 76 HIS 0.053 0.053 23 0 "[ . 1 . 2 .]"
1 80 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 83 SER 0.001 0.001 19 0 "[ . 1 . 2 .]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 85 CYS 0.053 0.053 23 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 58 GLY HA2 1 61 CYS HA 0.000 . 5.000 4.370 4.357 4.391 . 0 0 "[ . 1 . 2 .]" 1
2 1 64 THR HB 1 68 TYR HA 0.000 . 5.000 4.754 4.331 5.001 0.001 19 0 "[ . 1 . 2 .]" 1
3 1 55 LEU HA 1 55 LEU HB2 0.000 . 2.800 2.110 2.076 2.141 . 0 0 "[ . 1 . 2 .]" 1
4 1 12 LEU HA 1 12 LEU HB3 0.000 . 2.800 2.077 2.047 2.120 . 0 0 "[ . 1 . 2 .]" 1
5 1 5 GLU HB2 1 8 ILE HA 0.000 . 3.500 2.398 2.031 3.706 0.206 22 0 "[ . 1 . 2 .]" 1
6 1 46 ILE HA 1 46 ILE HB 0.000 . 2.800 2.526 2.055 2.598 . 0 0 "[ . 1 . 2 .]" 1
7 1 50 GLN HA 1 50 GLN HB3 0.000 . 2.800 2.681 2.657 2.701 . 0 0 "[ . 1 . 2 .]" 1
8 1 47 ASP HB3 1 64 THR HA 0.000 . 5.000 4.812 4.155 5.023 0.023 16 0 "[ . 1 . 2 .]" 1
9 1 10 PRO HA 1 10 PRO HB3 0.000 . 2.800 2.234 2.211 2.289 . 0 0 "[ . 1 . 2 .]" 1
10 1 62 HIS QB 1 68 TYR HA 0.000 . 2.800 2.596 2.401 2.667 . 0 0 "[ . 1 . 2 .]" 1
11 1 11 ASP HA 1 25 PHE QD 0.000 . 5.000 3.373 2.977 3.831 . 0 0 "[ . 1 . 2 .]" 1
12 1 7 ARG HB3 1 7 ARG QD 0.000 . 2.800 2.412 1.976 2.823 0.023 4 0 "[ . 1 . 2 .]" 1
13 1 73 PRO HA 1 73 PRO HD3 0.000 . 3.500 2.612 2.298 3.501 0.001 23 0 "[ . 1 . 2 .]" 1
14 1 7 ARG HB3 1 12 LEU HA 0.000 . 2.800 2.796 2.731 2.861 0.061 11 0 "[ . 1 . 2 .]" 1
15 1 55 LEU HB2 1 68 TYR QE 0.000 . 5.000 2.330 1.871 2.880 . 0 0 "[ . 1 . 2 .]" 1
16 1 30 ASP HA 1 33 TYR QD 0.000 . 5.000 4.304 3.969 4.845 . 0 0 "[ . 1 . 2 .]" 1
17 1 15 ARG HD3 1 33 TYR QD 0.000 . 3.500 3.196 2.590 3.546 0.046 5 0 "[ . 1 . 2 .]" 1
18 1 33 TYR QD 1 45 ASP HB3 0.000 . 5.000 3.272 2.354 3.869 . 0 0 "[ . 1 . 2 .]" 1
19 1 33 TYR HB3 1 33 TYR QE 0.000 . 5.000 3.809 3.298 4.105 . 0 0 "[ . 1 . 2 .]" 1
20 1 33 TYR HB3 1 33 TYR QD 0.000 . 2.800 2.491 2.275 2.711 . 0 0 "[ . 1 . 2 .]" 1
21 1 12 LEU HB3 1 25 PHE HZ 0.000 . 5.000 4.219 3.778 4.629 . 0 0 "[ . 1 . 2 .]" 1
22 1 5 GLU HB3 1 25 PHE QD 0.000 . 3.500 2.539 1.919 2.946 . 0 0 "[ . 1 . 2 .]" 1
23 1 5 GLU HB3 1 25 PHE QE 0.000 . 3.500 3.245 2.631 3.530 0.030 5 0 "[ . 1 . 2 .]" 1
24 1 5 GLU HB3 1 25 PHE HZ 0.000 . 5.000 4.218 3.760 4.680 . 0 0 "[ . 1 . 2 .]" 1
25 1 52 ASP HB2 1 55 LEU HB2 0.000 . 3.500 2.085 1.868 2.354 . 0 0 "[ . 1 . 2 .]" 1
26 1 9 SER HA 1 10 PRO HB3 0.000 . 5.000 3.576 3.516 3.777 . 0 0 "[ . 1 . 2 .]" 1
27 1 57 ARG HB2 1 84 ALA HA 0.000 . 5.000 3.620 2.505 4.045 . 0 0 "[ . 1 . 2 .]" 1
28 1 5 GLU HG2 1 25 PHE QE 0.000 . 5.000 3.913 3.609 4.277 . 0 0 "[ . 1 . 2 .]" 1
29 1 49 CYS HA 1 55 LEU HB2 0.000 . 5.000 3.785 3.135 4.019 . 0 0 "[ . 1 . 2 .]" 1
30 1 29 CYS HB3 1 42 ASN HA 0.000 . 2.800 2.528 2.247 2.754 . 0 0 "[ . 1 . 2 .]" 1
31 1 52 ASP HA 1 55 LEU HB2 0.000 . 5.000 4.239 4.024 4.565 . 0 0 "[ . 1 . 2 .]" 1
32 1 72 CYS HB3 1 76 HIS HB2 0.000 . 3.500 2.631 2.120 3.553 0.053 23 0 "[ . 1 . 2 .]" 1
33 1 48 GLU HA 1 48 GLU HG3 0.000 . 3.500 2.261 2.142 2.454 . 0 0 "[ . 1 . 2 .]" 1
34 1 6 CYS HA 1 7 ARG HB3 0.000 . 5.000 3.672 3.311 4.178 . 0 0 "[ . 1 . 2 .]" 1
35 1 52 ASP HA 1 53 PRO HB3 0.000 . 5.000 3.949 3.761 4.009 . 0 0 "[ . 1 . 2 .]" 1
36 1 30 ASP HA 1 33 TYR QE 0.000 . 6.000 5.580 5.202 5.922 . 0 0 "[ . 1 . 2 .]" 1
37 1 48 GLU HA 1 51 ARG HD3 0.000 . 5.000 3.742 3.252 3.889 . 0 0 "[ . 1 . 2 .]" 1
38 1 5 GLU HG2 1 25 PHE QD 0.000 . 3.500 1.968 1.860 2.236 . 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 80
_Distance_constraint_stats_list.Viol_count 135
_Distance_constraint_stats_list.Viol_total 117.552
_Distance_constraint_stats_list.Viol_max 0.194
_Distance_constraint_stats_list.Viol_rms 0.0123
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0348
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 THR 0.680 0.152 10 0 "[ . 1 . 2 .]"
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 3 ILE 0.683 0.152 10 0 "[ . 1 . 2 .]"
1 4 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 5 GLU 0.675 0.056 5 0 "[ . 1 . 2 .]"
1 7 ARG 0.787 0.063 24 0 "[ . 1 . 2 .]"
1 8 ILE 0.004 0.004 7 0 "[ . 1 . 2 .]"
1 10 PRO 0.731 0.063 24 0 "[ . 1 . 2 .]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 LEU 0.672 0.056 5 0 "[ . 1 . 2 .]"
1 14 GLY 0.056 0.018 4 0 "[ . 1 . 2 .]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 16 GLY 0.001 0.001 5 0 "[ . 1 . 2 .]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 22 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 25 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 GLU 0.138 0.106 4 0 "[ . 1 . 2 .]"
1 27 CYS 0.676 0.074 22 0 "[ . 1 . 2 .]"
1 28 LYS 1.096 0.194 6 0 "[ . 1 . 2 .]"
1 29 CYS 0.176 0.073 11 0 "[ . 1 . 2 .]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 32 GLY 0.119 0.093 3 0 "[ . 1 . 2 .]"
1 33 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 SER 0.176 0.073 11 0 "[ . 1 . 2 .]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 37 PHE 0.731 0.063 24 0 "[ . 1 . 2 .]"
1 38 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 40 MET 0.138 0.106 4 0 "[ . 1 . 2 .]"
1 41 LYS 1.597 0.106 4 0 "[ . 1 . 2 .]"
1 43 CYS 0.369 0.194 6 0 "[ . 1 . 2 .]"
1 44 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 ILE 0.250 0.131 3 0 "[ . 1 . 2 .]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 GLU 0.093 0.093 3 0 "[ . 1 . 2 .]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 51 ARG 0.043 0.016 21 0 "[ . 1 . 2 .]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 54 LEU 0.307 0.058 18 0 "[ . 1 . 2 .]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 56 CYS 0.676 0.074 22 0 "[ . 1 . 2 .]"
1 57 ARG 0.043 0.016 21 0 "[ . 1 . 2 .]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 61 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 62 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 63 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 65 GLU 0.305 0.061 12 0 "[ . 1 . 2 .]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 67 SER 0.119 0.093 3 0 "[ . 1 . 2 .]"
1 68 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 69 ARG 0.726 0.074 22 0 "[ . 1 . 2 .]"
1 70 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 71 GLU 0.050 0.050 23 0 "[ . 1 . 2 .]"
1 73 PRO 0.398 0.061 12 0 "[ . 1 . 2 .]"
1 74 PRO 0.355 0.061 12 0 "[ . 1 . 2 .]"
1 78 LEU 0.502 0.058 18 0 "[ . 1 . 2 .]"
1 79 SER 0.001 0.001 5 0 "[ . 1 . 2 .]"
1 80 PRO 0.236 0.058 18 0 "[ . 1 . 2 .]"
1 81 ASN 0.305 0.061 12 0 "[ . 1 . 2 .]"
1 82 ILE 0.195 0.035 24 0 "[ . 1 . 2 .]"
1 83 SER 0.236 0.058 18 0 "[ . 1 . 2 .]"
1 84 ALA 0.195 0.035 24 0 "[ . 1 . 2 .]"
1 85 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 86 ILE 0.309 0.058 18 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 20 ASN HB3 1 25 PHE HA 0.000 . 5.000 4.031 3.656 4.299 . 0 0 "[ . 1 . 2 .]" 2
2 1 25 PHE HA 1 25 PHE HB3 0.000 . 2.800 2.258 2.130 2.457 . 0 0 "[ . 1 . 2 .]" 2
3 1 19 VAL HB 1 25 PHE HA 0.000 . 6.000 5.008 4.679 5.954 . 0 0 "[ . 1 . 2 .]" 2
4 1 16 GLY HA3 1 44 MET HA 0.000 . 5.000 4.504 4.450 4.571 . 0 0 "[ . 1 . 2 .]" 2
5 1 20 ASN HA 1 25 PHE HB2 0.000 . 5.000 2.844 2.200 3.158 . 0 0 "[ . 1 . 2 .]" 2
6 1 20 ASN HA 1 20 ASN HB3 0.000 . 2.800 2.478 2.277 2.614 . 0 0 "[ . 1 . 2 .]" 2
7 1 4 ASP HA 1 23 GLY HA3 0.000 . 2.800 1.987 1.774 2.163 . 0 0 "[ . 1 . 2 .]" 2
8 1 4 ASP HA 1 4 ASP HB2 0.000 . 2.800 2.205 2.166 2.256 . 0 0 "[ . 1 . 2 .]" 2
9 1 4 ASP HA 1 4 ASP HB3 0.000 . 2.800 2.692 2.682 2.696 . 0 0 "[ . 1 . 2 .]" 2
10 1 11 ASP HA 1 11 ASP HB3 0.000 . 2.800 2.398 2.181 2.596 . 0 0 "[ . 1 . 2 .]" 2
11 1 30 ASP HA 1 31 GLU HA 0.000 . 5.000 4.054 3.983 4.128 . 0 0 "[ . 1 . 2 .]" 2
12 1 26 GLU HA 1 26 GLU HB3 0.000 . 2.800 2.145 2.068 2.211 . 0 0 "[ . 1 . 2 .]" 2
13 1 82 ILE HA 1 82 ILE QG 0.000 . 3.500 2.621 2.327 3.322 . 0 0 "[ . 1 . 2 .]" 2
14 1 54 LEU HA 1 54 LEU MD2 0.000 . 2.800 2.041 1.749 2.319 . 0 0 "[ . 1 . 2 .]" 2
15 1 54 LEU HA 1 54 LEU MD1 0.000 . 2.800 2.373 1.802 2.832 0.032 25 0 "[ . 1 . 2 .]" 2
16 1 19 VAL HA 1 19 VAL QG 0.000 . 2.800 1.939 1.862 2.089 . 0 0 "[ . 1 . 2 .]" 2
17 1 36 GLY HA3 1 41 LYS HA 0.000 . 5.000 2.264 1.678 3.260 . 0 0 "[ . 1 . 2 .]" 2
18 1 38 MET HA 1 38 MET HG2 0.000 . 2.800 2.519 2.367 2.613 . 0 0 "[ . 1 . 2 .]" 2
19 1 46 ILE HA 1 46 ILE HG13 0.000 . 2.800 2.239 2.112 2.931 0.131 3 0 "[ . 1 . 2 .]" 2
20 1 32 GLY HA3 1 46 ILE HG13 0.000 . 5.000 3.460 3.068 5.093 0.093 3 0 "[ . 1 . 2 .]" 2
21 1 8 ILE HB 1 8 ILE HG13 0.000 . 2.800 2.246 2.210 2.299 . 0 0 "[ . 1 . 2 .]" 2
22 1 28 LYS HB3 1 28 LYS HG2 0.000 . 2.800 2.531 2.144 2.799 . 0 0 "[ . 1 . 2 .]" 2
23 1 1 THR HB 1 3 ILE HB 0.000 . 2.800 2.691 2.317 2.952 0.152 10 0 "[ . 1 . 2 .]" 2
24 1 54 LEU MD1 1 54 LEU MD2 0.000 . 2.800 1.726 1.587 1.844 . 0 0 "[ . 1 . 2 .]" 2
25 1 28 LYS HA 1 28 LYS QD 0.000 . 2.800 2.409 1.955 2.834 0.034 17 0 "[ . 1 . 2 .]" 2
26 1 19 VAL QG 1 26 GLU HA 0.000 . 3.500 3.337 2.956 3.468 . 0 0 "[ . 1 . 2 .]" 2
27 1 65 GLU HA 1 65 GLU HB2 0.000 . 2.800 2.151 2.030 2.225 . 0 0 "[ . 1 . 2 .]" 2
28 1 33 TYR HA 1 46 ILE HB 0.000 . 5.000 4.175 3.565 4.602 . 0 0 "[ . 1 . 2 .]" 2
29 1 21 THR HB 1 22 PRO HB3 0.000 . 2.800 2.196 2.182 2.216 . 0 0 "[ . 1 . 2 .]" 2
30 1 16 GLY HA3 1 33 TYR HB2 0.000 . 5.000 4.390 4.097 4.804 . 0 0 "[ . 1 . 2 .]" 2
31 1 2 ASP HA 1 2 ASP HB2 0.000 . 2.800 2.461 2.350 2.650 . 0 0 "[ . 1 . 2 .]" 2
32 1 21 THR HB 1 22 PRO HD3 0.000 . 3.500 3.048 2.990 3.084 . 0 0 "[ . 1 . 2 .]" 2
33 1 7 ARG HA 1 7 ARG QG 0.000 . 2.800 2.209 2.009 2.581 . 0 0 "[ . 1 . 2 .]" 2
34 1 7 ARG HA 1 7 ARG QD 0.000 . 3.500 3.142 1.993 3.518 0.018 4 0 "[ . 1 . 2 .]" 2
35 1 65 GLU HB3 1 80 PRO HA 0.000 . 2.800 2.299 2.251 2.346 . 0 0 "[ . 1 . 2 .]" 2
36 1 45 ASP HA 1 65 GLU HA 0.000 . 5.000 4.244 3.878 4.748 . 0 0 "[ . 1 . 2 .]" 2
37 1 1 THR MG 1 15 ARG HA 0.000 . 2.800 2.491 2.352 2.665 . 0 0 "[ . 1 . 2 .]" 2
38 1 2 ASP HB2 1 21 THR HB 0.000 . 3.500 2.704 1.892 3.470 . 0 0 "[ . 1 . 2 .]" 2
39 1 2 ASP HB3 1 21 THR HB 0.000 . 5.000 4.146 3.567 4.701 . 0 0 "[ . 1 . 2 .]" 2
40 1 78 LEU MD1 1 85 CYS HA 0.000 . 3.500 1.875 1.824 2.270 . 0 0 "[ . 1 . 2 .]" 2
41 1 33 TYR HA 1 46 ILE HG13 0.000 . 5.000 3.540 2.947 4.117 . 0 0 "[ . 1 . 2 .]" 2
42 1 33 TYR HA 1 46 ILE MD 0.000 . 5.000 3.635 3.486 3.842 . 0 0 "[ . 1 . 2 .]" 2
43 1 34 GLU HA 1 46 ILE HG13 0.000 . 5.000 2.701 2.096 3.560 . 0 0 "[ . 1 . 2 .]" 2
44 1 67 SER HA 1 73 PRO HA 0.000 . 5.000 4.446 4.344 4.936 . 0 0 "[ . 1 . 2 .]" 2
45 1 3 ILE MG 1 5 GLU HA 0.000 . 2.800 2.545 2.015 2.804 0.004 7 0 "[ . 1 . 2 .]" 2
46 1 4 ASP HA 1 21 THR HB 0.000 . 2.800 2.322 2.288 2.360 . 0 0 "[ . 1 . 2 .]" 2
47 1 51 ARG HA 1 51 ARG HB3 0.000 . 2.800 2.752 2.651 2.816 0.016 21 0 "[ . 1 . 2 .]" 2
48 1 5 GLU HB2 1 25 PHE HA 0.000 . 5.000 4.083 3.878 4.252 . 0 0 "[ . 1 . 2 .]" 2
49 1 5 GLU HB3 1 5 GLU HG2 0.000 . 2.800 2.013 1.966 2.072 . 0 0 "[ . 1 . 2 .]" 2
50 1 19 VAL QG 1 27 CYS HA 0.000 . 5.000 2.998 2.198 3.565 . 0 0 "[ . 1 . 2 .]" 2
51 1 19 VAL QG 1 25 PHE HA 0.000 . 5.000 3.925 3.179 4.313 . 0 0 "[ . 1 . 2 .]" 2
52 1 18 CYS HA 1 19 VAL QG 0.000 . 5.000 3.713 3.490 3.950 . 0 0 "[ . 1 . 2 .]" 2
53 1 34 GLU HG2 1 46 ILE QG 0.000 . 5.000 3.618 2.819 4.620 . 0 0 "[ . 1 . 2 .]" 2
54 1 34 GLU HG3 1 46 ILE QG 0.000 . 5.000 3.850 3.497 4.109 . 0 0 "[ . 1 . 2 .]" 2
55 1 34 GLU HB3 1 46 ILE QG 0.000 . 3.500 1.836 1.710 3.261 . 0 0 "[ . 1 . 2 .]" 2
56 1 16 GLY HA3 1 28 LYS QD 0.000 . 5.000 4.147 3.017 5.001 0.001 5 0 "[ . 1 . 2 .]" 2
57 1 21 THR HB 1 22 PRO HD2 0.000 . 2.800 1.977 1.852 2.199 . 0 0 "[ . 1 . 2 .]" 2
58 1 22 PRO HB3 1 22 PRO HD2 0.000 . 2.800 2.261 2.240 2.304 . 0 0 "[ . 1 . 2 .]" 2
59 1 65 GLU HA 1 65 GLU QG 0.000 . 2.800 2.376 2.010 2.861 0.061 12 0 "[ . 1 . 2 .]" 2
60 1 51 ARG HB3 1 51 ARG HD3 0.000 . 2.800 2.299 2.033 2.561 . 0 0 "[ . 1 . 2 .]" 2
61 1 51 ARG HB2 1 51 ARG HD2 0.000 . 3.500 2.717 1.965 3.093 . 0 0 "[ . 1 . 2 .]" 2
62 1 26 GLU HA 1 41 LYS HD3 0.000 . 5.000 4.328 3.377 5.106 0.106 4 0 "[ . 1 . 2 .]" 2
63 1 51 ARG HA 1 51 ARG HB2 0.000 . 2.800 2.067 1.971 2.154 . 0 0 "[ . 1 . 2 .]" 2
64 1 32 GLY HA3 1 46 ILE MG 0.000 . 5.000 4.574 3.319 5.015 0.015 2 0 "[ . 1 . 2 .]" 2
65 1 34 GLU HB2 1 46 ILE MD 0.000 . 5.000 2.221 1.800 2.944 . 0 0 "[ . 1 . 2 .]" 2
66 1 52 ASP HB3 1 55 LEU HB2 0.000 . 3.500 2.253 1.868 3.270 . 0 0 "[ . 1 . 2 .]" 2
67 1 58 GLY HA2 1 60 VAL MG1 0.000 . 2.800 2.474 2.309 2.578 . 0 0 "[ . 1 . 2 .]" 2
68 1 29 CYS HA 1 35 SER HB2 0.000 . 2.800 2.558 2.235 2.873 0.073 11 0 "[ . 1 . 2 .]" 2
69 1 33 TYR QD 1 65 GLU HB2 0.000 . 2.800 1.981 1.833 2.628 . 0 0 "[ . 1 . 2 .]" 2
70 1 53 PRO HB3 1 53 PRO HD3 0.000 . 2.800 2.228 2.222 2.300 . 0 0 "[ . 1 . 2 .]" 2
71 1 28 LYS HA 1 43 CYS HB3 0.000 . 2.800 2.649 2.476 2.994 0.194 6 0 "[ . 1 . 2 .]" 2
72 1 5 GLU HB3 1 12 LEU MD2 0.000 . 3.500 3.496 3.157 3.556 0.056 5 0 "[ . 1 . 2 .]" 2
73 1 22 PRO HD3 1 22 PRO HG2 0.000 . 2.800 2.547 2.493 2.585 . 0 0 "[ . 1 . 2 .]" 2
74 1 54 LEU MD1 1 80 PRO HD2 0.000 . 3.500 3.453 3.266 3.558 0.058 18 0 "[ . 1 . 2 .]" 2
75 1 48 GLU HB3 1 48 GLU HG3 0.000 . 2.800 2.641 2.548 2.761 . 0 0 "[ . 1 . 2 .]" 2
76 1 21 THR HB 1 22 PRO HG2 0.000 . 3.500 3.321 3.227 3.368 . 0 0 "[ . 1 . 2 .]" 2
77 1 78 LEU MD2 1 84 ALA HA 0.000 . 5.000 4.853 4.113 5.035 0.035 24 0 "[ . 1 . 2 .]" 2
78 1 71 GLU HG2 1 73 PRO HD2 0.000 . 5.000 3.330 1.906 5.050 0.050 23 0 "[ . 1 . 2 .]" 2
79 1 7 ARG HA 1 10 PRO HA 0.000 . 5.000 4.642 2.318 5.063 0.063 24 0 "[ . 1 . 2 .]" 2
80 1 27 CYS QB 1 28 LYS HB3 0.000 . 5.000 5.015 4.709 5.074 0.074 22 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 201
_Distance_constraint_stats_list.Viol_count 718
_Distance_constraint_stats_list.Viol_total 1175.318
_Distance_constraint_stats_list.Viol_max 1.903
_Distance_constraint_stats_list.Viol_rms 0.0620
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0094
_Distance_constraint_stats_list.Viol_average_violations_only 0.0655
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 3 ILE 0.475 0.078 2 0 "[ . 1 . 2 .]"
1 4 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 5 GLU 2.800 0.100 16 0 "[ . 1 . 2 .]"
1 6 CYS 0.066 0.023 2 0 "[ . 1 . 2 .]"
1 8 ILE 5.102 0.102 15 0 "[ . 1 . 2 .]"
1 9 SER 3.778 0.102 15 0 "[ . 1 . 2 .]"
1 10 PRO 0.517 0.055 25 0 "[ . 1 . 2 .]"
1 11 ASP 0.559 0.075 7 0 "[ . 1 . 2 .]"
1 12 LEU 0.389 0.070 15 0 "[ . 1 . 2 .]"
1 13 CYS 0.424 0.075 7 0 "[ . 1 . 2 .]"
1 14 GLY 0.349 0.070 15 0 "[ . 1 . 2 .]"
1 15 ARG 1.795 0.154 16 0 "[ . 1 . 2 .]"
1 16 GLY 0.908 0.084 7 0 "[ . 1 . 2 .]"
1 17 GLN 0.761 0.084 7 0 "[ . 1 . 2 .]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 VAL 1.778 0.121 14 0 "[ . 1 . 2 .]"
1 20 ASN 1.873 0.121 14 0 "[ . 1 . 2 .]"
1 21 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 22 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 ASP 1.091 0.068 18 0 "[ . 1 . 2 .]"
1 25 PHE 0.785 0.081 11 0 "[ . 1 . 2 .]"
1 26 GLU 0.210 0.048 4 0 "[ . 1 . 2 .]"
1 27 CYS 0.141 0.047 15 0 "[ . 1 . 2 .]"
1 28 LYS 0.141 0.047 15 0 "[ . 1 . 2 .]"
1 29 CYS 0.323 0.077 8 0 "[ . 1 . 2 .]"
1 30 ASP 1.686 0.128 13 0 "[ . 1 . 2 .]"
1 31 GLU 0.429 0.128 13 0 "[ . 1 . 2 .]"
1 32 GLY 1.410 0.128 13 0 "[ . 1 . 2 .]"
1 33 TYR 1.801 0.154 16 0 "[ . 1 . 2 .]"
1 34 GLU 0.137 0.077 10 0 "[ . 1 . 2 .]"
1 35 SER 0.750 0.066 24 0 "[ . 1 . 2 .]"
1 36 GLY 10.321 1.903 13 6 "[ - . * *+ * * 2 .]"
1 37 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 38 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 39 MET 0.727 0.090 19 0 "[ . 1 . 2 .]"
1 40 MET 0.727 0.090 19 0 "[ . 1 . 2 .]"
1 41 LYS 0.432 0.060 7 0 "[ . 1 . 2 .]"
1 42 ASN 9.532 1.903 13 6 "[ - . * *+ * * 2 .]"
1 43 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 44 MET 0.172 0.077 10 0 "[ . 1 . 2 .]"
1 45 ASP 2.109 0.159 4 0 "[ . 1 . 2 .]"
1 46 ILE 3.633 0.159 4 0 "[ . 1 . 2 .]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 GLU 0.645 0.081 17 0 "[ . 1 . 2 .]"
1 49 CYS 0.901 0.098 18 0 "[ . 1 . 2 .]"
1 50 GLN 1.298 0.062 23 0 "[ . 1 . 2 .]"
1 51 ARG 0.458 0.051 14 0 "[ . 1 . 2 .]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 PRO 0.005 0.005 12 0 "[ . 1 . 2 .]"
1 54 LEU 1.137 0.102 17 0 "[ . 1 . 2 .]"
1 55 LEU 1.252 0.102 17 0 "[ . 1 . 2 .]"
1 56 CYS 0.040 0.013 3 0 "[ . 1 . 2 .]"
1 57 ARG 0.298 0.123 17 0 "[ . 1 . 2 .]"
1 58 GLY 0.040 0.013 3 0 "[ . 1 . 2 .]"
1 59 GLY 0.900 0.081 8 0 "[ . 1 . 2 .]"
1 60 VAL 1.114 0.070 7 0 "[ . 1 . 2 .]"
1 61 CYS 0.392 0.098 18 0 "[ . 1 . 2 .]"
1 62 HIS 14.063 0.691 19 18 "[****.*** * *******+2 - *]"
1 63 ASN 0.249 0.066 8 0 "[ . 1 . 2 .]"
1 64 THR 0.012 0.012 2 0 "[ . 1 . 2 .]"
1 65 GLU 0.062 0.061 15 0 "[ . 1 . 2 .]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 67 SER 0.145 0.061 15 0 "[ . 1 . 2 .]"
1 68 TYR 0.960 0.081 17 0 "[ . 1 . 2 .]"
1 69 ARG 13.999 0.691 19 18 "[****.*** * *******+2 - *]"
1 70 CYS 0.261 0.066 8 0 "[ . 1 . 2 .]"
1 71 GLU 0.274 0.070 7 0 "[ . 1 . 2 .]"
1 72 CYS 0.028 0.028 18 0 "[ . 1 . 2 .]"
1 78 LEU 0.052 0.028 18 0 "[ . 1 . 2 .]"
1 79 SER 0.885 0.081 8 0 "[ . 1 . 2 .]"
1 80 PRO 0.711 0.059 17 0 "[ . 1 . 2 .]"
1 81 ASN 0.711 0.059 17 0 "[ . 1 . 2 .]"
1 82 ILE 1.846 0.102 15 0 "[ . 1 . 2 .]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 85 CYS 0.913 0.081 8 0 "[ . 1 . 2 .]"
1 86 ILE 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 6 CYS H 1 6 CYS QB 0.000 . 3.500 2.273 2.072 2.415 . 0 0 "[ . 1 . 2 .]" 3
2 1 8 ILE H 1 9 SER H 0.000 . 2.800 2.868 2.828 2.902 0.102 15 0 "[ . 1 . 2 .]" 3
3 1 14 GLY HA2 1 16 GLY H 0.000 . 3.500 3.458 2.984 3.521 0.021 9 0 "[ . 1 . 2 .]" 3
4 1 17 GLN H 1 17 GLN HB3 0.000 . 3.500 3.226 2.888 3.488 . 0 0 "[ . 1 . 2 .]" 3
5 1 19 VAL H 1 19 VAL HB 0.000 . 3.500 2.665 2.443 3.132 . 0 0 "[ . 1 . 2 .]" 3
6 1 19 VAL HB 1 26 GLU H 0.000 . 3.500 2.927 2.643 3.136 . 0 0 "[ . 1 . 2 .]" 3
7 1 30 ASP HB3 1 31 GLU H 0.000 . 3.500 1.820 1.687 1.907 . 0 0 "[ . 1 . 2 .]" 3
8 1 36 GLY H 1 42 ASN H 0.000 . 2.800 2.935 1.858 4.703 1.903 13 6 "[ - . * *+ * * 2 .]" 3
9 1 35 SER QB 1 36 GLY H 0.000 . 2.800 2.725 2.270 2.866 0.066 24 0 "[ . 1 . 2 .]" 3
10 1 39 MET QG 1 40 MET H 0.000 . 3.500 3.022 1.830 3.573 0.073 15 0 "[ . 1 . 2 .]" 3
11 1 39 MET QB 1 40 MET H 0.000 . 2.800 2.764 2.590 2.890 0.090 19 0 "[ . 1 . 2 .]" 3
12 1 44 MET QG 1 45 ASP H 0.000 . 3.500 3.424 3.335 3.535 0.035 3 0 "[ . 1 . 2 .]" 3
13 1 44 MET QB 1 45 ASP H 0.000 . 3.500 2.325 2.200 2.527 . 0 0 "[ . 1 . 2 .]" 3
14 1 46 ILE H 1 46 ILE HB 0.000 . 3.500 2.299 2.171 2.390 . 0 0 "[ . 1 . 2 .]" 3
15 1 57 ARG H 1 57 ARG HB3 0.000 . 2.800 2.784 2.687 2.923 0.123 17 0 "[ . 1 . 2 .]" 3
16 1 62 HIS H 1 69 ARG H 0.000 . 2.800 3.347 3.113 3.491 0.691 19 18 "[****.*** * *******+2 - *]" 3
17 1 61 CYS HB2 1 62 HIS H 0.000 . 3.500 2.482 2.384 2.718 . 0 0 "[ . 1 . 2 .]" 3
18 1 62 HIS HA 1 63 ASN H 0.000 . 2.800 2.342 2.283 2.408 . 0 0 "[ . 1 . 2 .]" 3
19 1 62 HIS QB 1 63 ASN H 0.000 . 3.500 2.563 2.497 2.658 . 0 0 "[ . 1 . 2 .]" 3
20 1 11 ASP HB3 1 14 GLY H 0.000 . 5.000 3.571 3.077 4.035 . 0 0 "[ . 1 . 2 .]" 3
21 1 18 CYS HB2 1 19 VAL H 0.000 . 5.000 3.385 2.612 4.086 . 0 0 "[ . 1 . 2 .]" 3
22 1 31 GLU H 1 32 GLY H 0.000 . 3.500 2.076 1.601 2.719 . 0 0 "[ . 1 . 2 .]" 3
23 1 46 ILE HB 1 47 ASP H 0.000 . 5.000 1.939 1.838 2.608 . 0 0 "[ . 1 . 2 .]" 3
24 1 51 ARG QB 1 52 ASP H 0.000 . 3.500 2.800 2.385 3.060 . 0 0 "[ . 1 . 2 .]" 3
25 1 55 LEU HB2 1 56 CYS H 0.000 . 5.000 3.016 2.525 3.268 . 0 0 "[ . 1 . 2 .]" 3
26 1 56 CYS H 1 57 ARG H 0.000 . 2.800 2.524 2.427 2.777 . 0 0 "[ . 1 . 2 .]" 3
27 1 63 ASN HB2 1 64 THR H 0.000 . 3.500 3.263 2.527 3.512 0.012 2 0 "[ . 1 . 2 .]" 3
28 1 68 TYR H 1 69 ARG H 0.000 . 5.000 3.860 3.778 3.939 . 0 0 "[ . 1 . 2 .]" 3
29 1 83 SER HA 1 84 ALA H 0.000 . 2.800 2.288 2.148 2.452 . 0 0 "[ . 1 . 2 .]" 3
30 1 33 TYR H 1 46 ILE HB 0.000 . 5.000 4.381 3.864 4.822 . 0 0 "[ . 1 . 2 .]" 3
31 1 34 GLU H 1 46 ILE HB 0.000 . 5.000 4.437 3.447 4.737 . 0 0 "[ . 1 . 2 .]" 3
32 1 78 LEU H 1 84 ALA HA 0.000 . 5.000 4.255 3.931 4.385 . 0 0 "[ . 1 . 2 .]" 3
33 1 78 LEU HA 1 84 ALA H 0.000 . 5.000 4.712 4.532 4.968 . 0 0 "[ . 1 . 2 .]" 3
34 1 18 CYS HB2 1 26 GLU H 0.000 . 5.000 3.934 3.520 4.206 . 0 0 "[ . 1 . 2 .]" 3
35 1 45 ASP H 1 67 SER H 0.000 . 5.000 4.269 4.185 4.339 . 0 0 "[ . 1 . 2 .]" 3
36 1 3 ILE HB 1 4 ASP H 0.000 . 5.000 3.636 2.363 4.143 . 0 0 "[ . 1 . 2 .]" 3
37 1 10 PRO HB3 1 11 ASP H 0.000 . 3.500 3.277 2.592 3.555 0.055 25 0 "[ . 1 . 2 .]" 3
38 1 18 CYS HB3 1 30 ASP H 0.000 . 3.500 2.517 2.076 2.769 . 0 0 "[ . 1 . 2 .]" 3
39 1 28 LYS HA 1 29 CYS H 0.000 . 2.800 2.401 2.296 2.591 . 0 0 "[ . 1 . 2 .]" 3
40 1 31 GLU QB 1 50 GLN H 0.000 . 3.500 2.373 2.284 2.408 . 0 0 "[ . 1 . 2 .]" 3
41 1 29 CYS HB3 1 43 CYS H 0.000 . 5.000 4.166 3.303 4.527 . 0 0 "[ . 1 . 2 .]" 3
42 1 12 LEU HB3 1 13 CYS H 0.000 . 3.500 2.578 2.171 3.016 . 0 0 "[ . 1 . 2 .]" 3
43 1 60 VAL HA 1 61 CYS H 0.000 . 2.800 2.168 2.139 2.189 . 0 0 "[ . 1 . 2 .]" 3
44 1 65 GLU HA 1 67 SER H 0.000 . 3.500 3.166 2.925 3.561 0.061 15 0 "[ . 1 . 2 .]" 3
45 1 50 GLN H 1 50 GLN HB3 0.000 . 3.500 3.533 3.498 3.562 0.062 23 0 "[ . 1 . 2 .]" 3
46 1 21 THR HB 1 23 GLY H 0.000 . 3.500 2.176 2.160 2.210 . 0 0 "[ . 1 . 2 .]" 3
47 1 5 GLU H 1 26 GLU H 0.000 . 3.500 3.092 2.762 3.501 0.001 10 0 "[ . 1 . 2 .]" 3
48 1 53 PRO HA 1 54 LEU H 0.000 . 3.500 3.359 3.295 3.399 . 0 0 "[ . 1 . 2 .]" 3
49 1 65 GLU HA 1 68 TYR H 0.000 . 5.000 3.463 1.869 4.105 . 0 0 "[ . 1 . 2 .]" 3
50 1 56 CYS QB 1 61 CYS H 0.000 . 5.000 3.158 2.870 3.684 . 0 0 "[ . 1 . 2 .]" 3
51 1 30 ASP H 1 31 GLU H 0.000 . 3.500 2.648 1.815 3.628 0.128 13 0 "[ . 1 . 2 .]" 3
52 1 51 ARG QG 1 52 ASP H 0.000 . 5.000 3.778 2.841 4.225 . 0 0 "[ . 1 . 2 .]" 3
53 1 3 ILE HB 1 5 GLU H 0.000 . 6.000 4.639 2.823 5.565 . 0 0 "[ . 1 . 2 .]" 3
54 1 9 SER H 1 10 PRO HA 0.000 . 5.000 4.719 4.603 4.780 . 0 0 "[ . 1 . 2 .]" 3
55 1 10 PRO HA 1 12 LEU H 0.000 . 5.000 3.703 3.590 3.793 . 0 0 "[ . 1 . 2 .]" 3
56 1 10 PRO HB3 1 12 LEU H 0.000 . 5.000 4.821 4.465 4.920 . 0 0 "[ . 1 . 2 .]" 3
57 1 12 LEU HB3 1 14 GLY H 0.000 . 5.000 4.401 4.211 4.537 . 0 0 "[ . 1 . 2 .]" 3
58 1 16 GLY H 1 17 GLN HA 0.000 . 5.000 4.577 4.242 4.782 . 0 0 "[ . 1 . 2 .]" 3
59 1 3 ILE H 1 3 ILE HB 0.000 . 3.500 2.583 2.210 3.280 . 0 0 "[ . 1 . 2 .]" 3
60 1 30 ASP HB3 1 32 GLY H 0.000 . 3.500 2.952 1.941 3.536 0.036 13 0 "[ . 1 . 2 .]" 3
61 1 27 CYS H 1 28 LYS HG2 0.000 . 5.000 4.529 3.211 5.047 0.047 15 0 "[ . 1 . 2 .]" 3
62 1 13 CYS HB2 1 18 CYS H 0.000 . 3.500 2.501 2.054 2.886 . 0 0 "[ . 1 . 2 .]" 3
63 1 32 GLY HA3 1 67 SER H 0.000 . 3.500 3.297 2.709 3.523 0.023 25 0 "[ . 1 . 2 .]" 3
64 1 49 CYS QB 1 51 ARG H 0.000 . 5.000 4.354 4.254 4.445 . 0 0 "[ . 1 . 2 .]" 3
65 1 9 SER QB 1 11 ASP H 0.000 . 3.500 1.955 1.831 2.384 . 0 0 "[ . 1 . 2 .]" 3
66 1 9 SER QB 1 12 LEU H 0.000 . 3.500 2.904 2.405 3.358 . 0 0 "[ . 1 . 2 .]" 3
67 1 9 SER H 1 9 SER QB 0.000 . 2.800 2.807 2.594 2.835 0.035 17 0 "[ . 1 . 2 .]" 3
68 1 51 ARG HD3 1 52 ASP H 0.000 . 3.500 2.446 2.230 2.615 . 0 0 "[ . 1 . 2 .]" 3
69 1 15 ARG HD3 1 33 TYR H 0.000 . 5.000 4.951 4.096 5.078 0.078 13 0 "[ . 1 . 2 .]" 3
70 1 32 GLY HA3 1 47 ASP H 0.000 . 5.000 4.731 4.619 4.831 . 0 0 "[ . 1 . 2 .]" 3
71 1 56 CYS HA 1 57 ARG H 0.000 . 3.500 2.956 2.806 3.048 . 0 0 "[ . 1 . 2 .]" 3
72 1 48 GLU HB2 1 68 TYR H 0.000 . 5.000 4.334 3.958 4.540 . 0 0 "[ . 1 . 2 .]" 3
73 1 51 ARG HD3 1 54 LEU H 0.000 . 5.000 3.988 3.394 4.155 . 0 0 "[ . 1 . 2 .]" 3
74 1 47 ASP HA 1 49 CYS H 0.000 . 3.500 3.166 3.082 3.338 . 0 0 "[ . 1 . 2 .]" 3
75 1 57 ARG H 1 58 GLY HA2 0.000 . 6.000 5.371 5.190 5.771 . 0 0 "[ . 1 . 2 .]" 3
76 1 72 CYS HB3 1 78 LEU H 0.000 . 5.000 4.668 4.362 5.028 0.028 18 0 "[ . 1 . 2 .]" 3
77 1 21 THR HB 1 24 ASP H 0.000 . 5.000 3.928 3.758 4.023 . 0 0 "[ . 1 . 2 .]" 3
78 1 80 PRO HB3 1 83 SER H 0.000 . 5.000 3.054 2.521 3.325 . 0 0 "[ . 1 . 2 .]" 3
79 1 39 MET H 1 40 MET H 0.000 . 2.800 2.349 1.849 2.788 . 0 0 "[ . 1 . 2 .]" 3
80 1 36 GLY H 1 42 ASN HD22 0.000 . 5.000 3.235 2.782 3.923 . 0 0 "[ . 1 . 2 .]" 3
81 1 11 ASP HB3 1 13 CYS H 0.000 . 3.500 3.329 2.672 3.575 0.075 7 0 "[ . 1 . 2 .]" 3
82 1 52 ASP H 1 53 PRO HD2 0.000 . 5.000 4.514 4.168 4.753 . 0 0 "[ . 1 . 2 .]" 3
83 1 53 PRO HD2 1 54 LEU H 0.000 . 3.500 2.434 2.176 2.802 . 0 0 "[ . 1 . 2 .]" 3
84 1 69 ARG QB 1 70 CYS H 0.000 . 3.500 3.189 2.596 3.512 0.012 14 0 "[ . 1 . 2 .]" 3
85 1 37 PHE H 1 39 MET H 0.000 . 5.000 3.233 2.447 4.135 . 0 0 "[ . 1 . 2 .]" 3
86 1 54 LEU H 1 56 CYS H 0.000 . 6.000 5.907 5.758 6.013 0.013 3 0 "[ . 1 . 2 .]" 3
87 1 68 TYR H 1 68 TYR QR 0.000 . 3.500 2.809 2.100 3.526 0.026 16 0 "[ . 1 . 2 .]" 3
88 1 68 TYR QR 1 69 ARG H 0.000 . 3.500 3.244 2.870 3.528 0.028 12 0 "[ . 1 . 2 .]" 3
89 1 68 TYR QR 1 70 CYS H 0.000 . 5.000 3.747 3.095 4.457 . 0 0 "[ . 1 . 2 .]" 3
90 1 80 PRO QB 1 81 ASN HD22 0.000 . 5.000 4.923 4.666 5.059 0.059 17 0 "[ . 1 . 2 .]" 3
91 1 20 ASN H 1 20 ASN HB2 0.000 . 3.500 2.613 2.317 2.845 . 0 0 "[ . 1 . 2 .]" 3
92 1 34 GLU HG2 1 36 GLY H 0.000 . 5.000 4.195 3.497 5.077 0.077 10 0 "[ . 1 . 2 .]" 3
93 1 30 ASP HB3 1 33 TYR H 0.000 . 5.000 3.602 3.166 4.316 . 0 0 "[ . 1 . 2 .]" 3
94 1 14 GLY H 1 15 ARG H 0.000 . 5.000 2.131 1.829 2.571 . 0 0 "[ . 1 . 2 .]" 3
95 1 13 CYS HB3 1 16 GLY H 0.000 . 5.000 2.720 1.939 3.476 . 0 0 "[ . 1 . 2 .]" 3
96 1 4 ASP HA 1 25 PHE H 0.000 . 3.500 2.716 2.543 2.838 . 0 0 "[ . 1 . 2 .]" 3
97 1 56 CYS H 1 57 ARG HB3 0.000 . 6.000 5.054 4.950 5.259 . 0 0 "[ . 1 . 2 .]" 3
98 1 57 ARG HB3 1 58 GLY H 0.000 . 5.000 3.044 2.635 3.822 . 0 0 "[ . 1 . 2 .]" 3
99 1 60 VAL H 1 71 GLU QB 0.000 . 3.500 3.251 2.561 3.570 0.070 7 0 "[ . 1 . 2 .]" 3
100 1 71 GLU HB2 1 72 CYS H 0.000 . 5.000 3.431 2.993 3.856 . 0 0 "[ . 1 . 2 .]" 3
101 1 80 PRO QB 1 81 ASN HD21 0.000 . 5.000 4.980 4.771 5.054 0.054 3 0 "[ . 1 . 2 .]" 3
102 1 36 GLY H 1 42 ASN HD21 0.000 . 5.000 2.095 1.770 3.043 . 0 0 "[ . 1 . 2 .]" 3
103 1 57 ARG HB3 1 59 GLY H 0.000 . 5.000 4.677 4.361 5.015 0.015 8 0 "[ . 1 . 2 .]" 3
104 1 22 PRO HB3 1 23 GLY H 0.000 . 5.000 4.043 3.954 4.143 . 0 0 "[ . 1 . 2 .]" 3
105 1 5 GLU HG2 1 24 ASP H 0.000 . 3.500 3.544 3.516 3.568 0.068 18 0 "[ . 1 . 2 .]" 3
106 1 5 GLU HG2 1 25 PHE H 0.000 . 3.500 2.096 1.871 2.517 . 0 0 "[ . 1 . 2 .]" 3
107 1 17 GLN HB3 1 29 CYS H 0.000 . 5.000 4.573 3.983 4.612 . 0 0 "[ . 1 . 2 .]" 3
108 1 29 CYS H 1 33 TYR H 0.000 . 5.000 4.889 4.492 5.077 0.077 8 0 "[ . 1 . 2 .]" 3
109 1 32 GLY H 1 33 TYR HB2 0.000 . 5.000 3.312 2.256 4.236 . 0 0 "[ . 1 . 2 .]" 3
110 1 33 TYR H 1 33 TYR HB2 0.000 . 3.500 2.398 2.278 2.552 . 0 0 "[ . 1 . 2 .]" 3
111 1 45 ASP H 1 46 ILE HB 0.000 . 6.000 6.056 5.701 6.159 0.159 4 0 "[ . 1 . 2 .]" 3
112 1 48 GLU H 1 68 TYR QR 0.000 . 5.000 5.017 4.797 5.081 0.081 17 0 "[ . 1 . 2 .]" 3
113 1 49 CYS H 1 68 TYR QR 0.000 . 5.000 4.971 4.897 5.020 0.020 22 0 "[ . 1 . 2 .]" 3
114 1 49 CYS H 1 50 GLN HB3 0.000 . 5.000 5.018 4.999 5.051 0.051 14 0 "[ . 1 . 2 .]" 3
115 1 55 LEU H 1 68 TYR QR 0.000 . 6.000 5.941 5.723 6.039 0.039 2 0 "[ . 1 . 2 .]" 3
116 1 62 HIS H 1 68 TYR QR 0.000 . 5.000 3.626 3.013 4.449 . 0 0 "[ . 1 . 2 .]" 3
117 1 64 THR H 1 68 TYR QR 0.000 . 5.000 4.744 4.291 4.853 . 0 0 "[ . 1 . 2 .]" 3
118 1 59 GLY HA3 1 85 CYS H 0.000 . 5.000 4.996 4.527 5.081 0.081 8 0 "[ . 1 . 2 .]" 3
119 1 57 ARG HB3 1 85 CYS H 0.000 . 5.000 3.894 3.457 4.150 . 0 0 "[ . 1 . 2 .]" 3
120 1 5 GLU H 1 8 ILE H 0.000 . 5.000 4.443 3.159 5.081 0.081 11 0 "[ . 1 . 2 .]" 3
121 1 69 ARG QG 1 71 GLU H 0.000 . 6.000 5.118 3.950 5.515 . 0 0 "[ . 1 . 2 .]" 3
122 1 5 GLU HB3 1 25 PHE H 0.000 . 5.000 4.925 4.698 5.060 0.060 7 0 "[ . 1 . 2 .]" 3
123 1 5 GLU H 1 6 CYS QB 0.000 . 5.000 4.029 3.127 4.723 . 0 0 "[ . 1 . 2 .]" 3
124 1 6 CYS H 1 8 ILE H 0.000 . 5.000 4.008 3.658 4.294 . 0 0 "[ . 1 . 2 .]" 3
125 1 5 GLU HG2 1 6 CYS H 0.000 . 6.000 5.078 4.788 5.507 . 0 0 "[ . 1 . 2 .]" 3
126 1 5 GLU HG3 1 25 PHE H 0.000 . 5.000 4.871 4.018 5.037 0.037 18 0 "[ . 1 . 2 .]" 3
127 1 16 GLY H 1 17 GLN HG2 0.000 . 5.000 5.030 5.001 5.084 0.084 7 0 "[ . 1 . 2 .]" 3
128 1 63 ASN HB3 1 69 ARG H 0.000 . 5.000 4.969 4.850 5.066 0.066 8 0 "[ . 1 . 2 .]" 3
129 1 8 ILE H 1 9 SER H 0.000 . 2.800 2.868 2.828 2.902 0.102 15 0 "[ . 1 . 2 .]" 3
130 1 12 LEU H 1 12 LEU QD 0.000 . 3.500 3.318 3.094 3.511 0.011 4 0 "[ . 1 . 2 .]" 3
131 1 19 VAL H 1 19 VAL QG 0.000 . 3.500 2.869 1.851 3.084 . 0 0 "[ . 1 . 2 .]" 3
132 1 20 ASN HA 1 21 THR H 0.000 . 2.800 2.167 2.126 2.264 . 0 0 "[ . 1 . 2 .]" 3
133 1 34 GLU H 1 34 GLU QG 0.000 . 3.500 2.901 2.513 3.530 0.030 10 0 "[ . 1 . 2 .]" 3
134 1 46 ILE H 1 46 ILE HG13 0.000 . 3.500 2.017 1.822 2.780 . 0 0 "[ . 1 . 2 .]" 3
135 1 50 GLN HB3 1 51 ARG H 0.000 . 3.500 2.200 2.175 2.234 . 0 0 "[ . 1 . 2 .]" 3
136 1 54 LEU HG 1 55 LEU H 0.000 . 2.800 2.174 2.123 2.236 . 0 0 "[ . 1 . 2 .]" 3
137 1 61 CYS HB3 1 71 GLU H 0.000 . 3.500 2.758 2.254 3.263 . 0 0 "[ . 1 . 2 .]" 3
138 1 78 LEU MD2 1 85 CYS H 0.000 . 5.000 3.578 2.963 3.790 . 0 0 "[ . 1 . 2 .]" 3
139 1 82 ILE H 1 82 ILE QG 0.000 . 3.500 3.154 2.049 3.562 0.062 12 0 "[ . 1 . 2 .]" 3
140 1 82 ILE QG 1 84 ALA H 0.000 . 3.500 3.053 2.977 3.134 . 0 0 "[ . 1 . 2 .]" 3
141 1 79 SER HA 1 85 CYS H 0.000 . 2.800 2.137 2.109 2.252 . 0 0 "[ . 1 . 2 .]" 3
142 1 12 LEU QD 1 13 CYS H 0.000 . 5.000 3.791 3.476 4.093 . 0 0 "[ . 1 . 2 .]" 3
143 1 19 VAL QG 1 20 ASN H 0.000 . 3.500 1.799 1.746 2.025 . 0 0 "[ . 1 . 2 .]" 3
144 1 33 TYR HB3 1 34 GLU H 0.000 . 3.500 2.883 2.305 3.512 0.012 15 0 "[ . 1 . 2 .]" 3
145 1 46 ILE HG13 1 47 ASP H 0.000 . 5.000 3.052 2.945 3.207 . 0 0 "[ . 1 . 2 .]" 3
146 1 78 LEU HB3 1 79 SER H 0.000 . 5.000 3.834 3.449 4.019 . 0 0 "[ . 1 . 2 .]" 3
147 1 78 LEU MD2 1 79 SER H 0.000 . 5.000 4.271 4.027 4.530 . 0 0 "[ . 1 . 2 .]" 3
148 1 82 ILE QG 1 83 SER H 0.000 . 5.000 4.416 3.653 4.710 . 0 0 "[ . 1 . 2 .]" 3
149 1 15 ARG HB3 1 32 GLY H 0.000 . 5.000 4.960 4.646 5.056 0.056 24 0 "[ . 1 . 2 .]" 3
150 1 33 TYR H 1 46 ILE HG13 0.000 . 5.000 4.292 3.758 4.590 . 0 0 "[ . 1 . 2 .]" 3
151 1 34 GLU H 1 46 ILE HG13 0.000 . 5.000 2.970 2.182 4.365 . 0 0 "[ . 1 . 2 .]" 3
152 1 78 LEU MD1 1 79 SER H 0.000 . 3.500 2.002 1.739 2.535 . 0 0 "[ . 1 . 2 .]" 3
153 1 5 GLU HB2 1 9 SER H 0.000 . 5.000 4.686 4.518 4.760 . 0 0 "[ . 1 . 2 .]" 3
154 1 13 CYS HA 1 42 ASN H 0.000 . 5.000 3.957 2.489 4.590 . 0 0 "[ . 1 . 2 .]" 3
155 1 69 ARG QG 1 70 CYS H 0.000 . 5.000 4.729 4.279 4.944 . 0 0 "[ . 1 . 2 .]" 3
156 1 17 GLN QG 1 30 ASP H 0.000 . 3.500 2.716 2.350 3.335 . 0 0 "[ . 1 . 2 .]" 3
157 1 17 GLN HB2 1 33 TYR H 0.000 . 5.000 3.981 3.193 4.916 . 0 0 "[ . 1 . 2 .]" 3
158 1 3 ILE H 1 3 ILE MG 0.000 . 3.500 2.833 1.796 3.578 0.078 2 0 "[ . 1 . 2 .]" 3
159 1 53 PRO HB3 1 54 LEU H 0.000 . 2.800 2.304 2.201 2.580 . 0 0 "[ . 1 . 2 .]" 3
160 1 46 ILE HB 1 49 CYS H 0.000 . 5.000 3.772 3.572 3.939 . 0 0 "[ . 1 . 2 .]" 3
161 1 5 GLU HB2 1 8 ILE H 0.000 . 3.500 3.528 3.506 3.600 0.100 16 0 "[ . 1 . 2 .]" 3
162 1 78 LEU H 1 78 LEU MD1 0.000 . 5.000 3.976 3.886 4.033 . 0 0 "[ . 1 . 2 .]" 3
163 1 1 THR HA 1 3 ILE H 0.000 . 6.000 4.830 4.080 5.323 . 0 0 "[ . 1 . 2 .]" 3
164 1 5 GLU H 1 12 LEU QD 0.000 . 6.000 4.977 4.732 5.255 . 0 0 "[ . 1 . 2 .]" 3
165 1 3 ILE MG 1 5 GLU H 0.000 . 5.000 2.906 1.793 3.969 . 0 0 "[ . 1 . 2 .]" 3
166 1 6 CYS H 1 12 LEU QD 0.000 . 5.000 3.796 3.528 4.250 . 0 0 "[ . 1 . 2 .]" 3
167 1 3 ILE MG 1 6 CYS H 0.000 . 5.000 4.658 4.107 5.023 0.023 2 0 "[ . 1 . 2 .]" 3
168 1 8 ILE H 1 12 LEU QD 0.000 . 5.000 3.222 3.028 3.537 . 0 0 "[ . 1 . 2 .]" 3
169 1 9 SER H 1 12 LEU QD 0.000 . 5.000 2.139 1.912 2.381 . 0 0 "[ . 1 . 2 .]" 3
170 1 11 ASP H 1 12 LEU QD 0.000 . 5.000 4.698 4.442 4.910 . 0 0 "[ . 1 . 2 .]" 3
171 1 53 PRO HB3 1 55 LEU H 0.000 . 3.500 3.232 3.041 3.505 0.005 12 0 "[ . 1 . 2 .]" 3
172 1 3 ILE QG 1 12 LEU H 0.000 . 3.500 3.081 3.029 3.105 . 0 0 "[ . 1 . 2 .]" 3
173 1 3 ILE QG 1 11 ASP H 0.000 . 5.000 4.928 4.737 5.009 0.009 4 0 "[ . 1 . 2 .]" 3
174 1 46 ILE HG13 1 48 GLU H 0.000 . 5.000 3.495 2.422 3.849 . 0 0 "[ . 1 . 2 .]" 3
175 1 78 LEU H 1 78 LEU MD2 0.000 . 5.000 4.203 4.076 4.259 . 0 0 "[ . 1 . 2 .]" 3
176 1 11 ASP HB3 1 15 ARG H 0.000 . 5.000 3.359 2.217 4.074 . 0 0 "[ . 1 . 2 .]" 3
177 1 19 VAL QG 1 21 THR H 0.000 . 5.000 4.281 4.070 4.518 . 0 0 "[ . 1 . 2 .]" 3
178 1 78 LEU QD 1 84 ALA H 0.000 . 3.500 2.312 2.144 2.435 . 0 0 "[ . 1 . 2 .]" 3
179 1 12 LEU QD 1 20 ASN HD21 0.000 . 6.000 5.862 5.028 6.019 0.019 14 0 "[ . 1 . 2 .]" 3
180 1 5 GLU HG3 1 26 GLU H 0.000 . 3.500 2.062 1.850 2.675 . 0 0 "[ . 1 . 2 .]" 3
181 1 32 GLY H 1 46 ILE HB 0.000 . 5.000 5.014 4.817 5.112 0.112 3 0 "[ . 1 . 2 .]" 3
182 1 15 ARG HD3 1 43 CYS H 0.000 . 3.500 2.519 2.090 3.048 . 0 0 "[ . 1 . 2 .]" 3
183 1 15 ARG HB3 1 33 TYR H 0.000 . 5.000 5.037 4.974 5.154 0.154 16 0 "[ . 1 . 2 .]" 3
184 1 63 ASN H 1 63 ASN HD21 0.000 . 5.000 4.058 4.017 4.097 . 0 0 "[ . 1 . 2 .]" 3
185 1 54 LEU H 1 54 LEU HG 0.000 . 3.500 3.543 3.489 3.602 0.102 17 0 "[ . 1 . 2 .]" 3
186 1 54 LEU HG 1 57 ARG H 0.000 . 5.000 4.429 3.842 4.589 . 0 0 "[ . 1 . 2 .]" 3
187 1 49 CYS QB 1 61 CYS H 0.000 . 3.500 3.136 2.301 3.598 0.098 18 0 "[ . 1 . 2 .]" 3
188 1 60 VAL H 1 60 VAL MG2 0.000 . 3.500 2.660 2.080 2.986 . 0 0 "[ . 1 . 2 .]" 3
189 1 12 LEU QD 1 14 GLY H 0.000 . 5.000 4.947 4.763 5.070 0.070 15 0 "[ . 1 . 2 .]" 3
190 1 35 SER H 1 46 ILE HG13 0.000 . 5.000 4.369 3.736 5.056 0.056 3 0 "[ . 1 . 2 .]" 3
191 1 78 LEU MD1 1 85 CYS H 0.000 . 5.000 2.978 2.564 3.231 . 0 0 "[ . 1 . 2 .]" 3
192 1 19 VAL QG 1 20 ASN HD21 0.000 . 6.000 5.109 4.982 5.255 . 0 0 "[ . 1 . 2 .]" 3
193 1 19 VAL QG 1 20 ASN HD22 0.000 . 6.000 6.071 6.008 6.121 0.121 14 0 "[ . 1 . 2 .]" 3
194 1 18 CYS H 1 19 VAL QG 0.000 . 6.000 4.828 4.565 5.668 . 0 0 "[ . 1 . 2 .]" 3
195 1 19 VAL QG 1 26 GLU H 0.000 . 5.000 3.048 1.800 3.452 . 0 0 "[ . 1 . 2 .]" 3
196 1 19 VAL QG 1 27 CYS H 0.000 . 5.000 3.940 2.547 4.743 . 0 0 "[ . 1 . 2 .]" 3
197 1 12 LEU QD 1 26 GLU H 0.000 . 6.000 5.558 4.890 6.048 0.048 4 0 "[ . 1 . 2 .]" 3
198 1 17 GLN H 1 30 ASP H 0.000 . 5.000 3.152 2.658 3.497 . 0 0 "[ . 1 . 2 .]" 3
199 1 13 CYS HA 1 43 CYS H 0.000 . 2.800 2.154 1.731 2.588 . 0 0 "[ . 1 . 2 .]" 3
200 1 56 CYS H 1 84 ALA H 0.000 . 3.500 2.471 2.019 2.694 . 0 0 "[ . 1 . 2 .]" 3
201 1 5 GLU H 1 5 GLU HB2 0.000 . 3.500 3.002 2.483 3.544 0.044 19 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 1082
_Distance_constraint_stats_list.Viol_count 3082
_Distance_constraint_stats_list.Viol_total 2006.209
_Distance_constraint_stats_list.Viol_max 0.192
_Distance_constraint_stats_list.Viol_rms 0.0112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0260
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 THR 0.058 0.022 9 0 "[ . 1 . 2 .]"
1 2 ASP 0.557 0.098 2 0 "[ . 1 . 2 .]"
1 3 ILE 1.393 0.112 14 0 "[ . 1 . 2 .]"
1 4 ASP 1.277 0.080 18 0 "[ . 1 . 2 .]"
1 5 GLU 3.545 0.117 14 0 "[ . 1 . 2 .]"
1 6 CYS 0.576 0.129 9 0 "[ . 1 . 2 .]"
1 7 ARG 0.306 0.040 22 0 "[ . 1 . 2 .]"
1 8 ILE 4.259 0.077 18 0 "[ . 1 . 2 .]"
1 9 SER 1.530 0.056 15 0 "[ . 1 . 2 .]"
1 10 PRO 2.612 0.108 9 0 "[ . 1 . 2 .]"
1 11 ASP 1.408 0.077 18 0 "[ . 1 . 2 .]"
1 12 LEU 5.897 0.108 9 0 "[ . 1 . 2 .]"
1 13 CYS 1.289 0.060 5 0 "[ . 1 . 2 .]"
1 14 GLY 2.493 0.100 11 0 "[ . 1 . 2 .]"
1 15 ARG 1.045 0.062 6 0 "[ . 1 . 2 .]"
1 16 GLY 0.577 0.068 7 0 "[ . 1 . 2 .]"
1 17 GLN 0.880 0.049 6 0 "[ . 1 . 2 .]"
1 18 CYS 1.169 0.129 9 0 "[ . 1 . 2 .]"
1 19 VAL 0.200 0.031 11 0 "[ . 1 . 2 .]"
1 20 ASN 1.234 0.080 18 0 "[ . 1 . 2 .]"
1 21 THR 0.593 0.048 4 0 "[ . 1 . 2 .]"
1 22 PRO 0.440 0.028 2 0 "[ . 1 . 2 .]"
1 23 GLY 0.831 0.045 24 0 "[ . 1 . 2 .]"
1 24 ASP 3.922 0.078 4 0 "[ . 1 . 2 .]"
1 25 PHE 2.667 0.117 14 0 "[ . 1 . 2 .]"
1 26 GLU 0.740 0.192 8 0 "[ . 1 . 2 .]"
1 27 CYS 1.012 0.192 8 0 "[ . 1 . 2 .]"
1 28 LYS 0.287 0.026 9 0 "[ . 1 . 2 .]"
1 29 CYS 1.270 0.064 17 0 "[ . 1 . 2 .]"
1 30 ASP 0.687 0.062 6 0 "[ . 1 . 2 .]"
1 31 GLU 1.668 0.069 15 0 "[ . 1 . 2 .]"
1 32 GLY 2.382 0.100 11 0 "[ . 1 . 2 .]"
1 33 TYR 2.353 0.130 3 0 "[ . 1 . 2 .]"
1 34 GLU 1.668 0.146 10 0 "[ . 1 . 2 .]"
1 35 SER 3.822 0.104 5 0 "[ . 1 . 2 .]"
1 36 GLY 2.323 0.092 10 0 "[ . 1 . 2 .]"
1 37 PHE 3.335 0.098 12 0 "[ . 1 . 2 .]"
1 38 MET 2.432 0.137 11 0 "[ . 1 . 2 .]"
1 39 MET 1.234 0.086 5 0 "[ . 1 . 2 .]"
1 40 MET 3.511 0.137 11 0 "[ . 1 . 2 .]"
1 41 LYS 3.699 0.096 10 0 "[ . 1 . 2 .]"
1 42 ASN 3.729 0.118 20 0 "[ . 1 . 2 .]"
1 43 CYS 1.039 0.100 4 0 "[ . 1 . 2 .]"
1 44 MET 2.545 0.111 15 0 "[ . 1 . 2 .]"
1 45 ASP 1.876 0.130 3 0 "[ . 1 . 2 .]"
1 46 ILE 2.429 0.082 4 0 "[ . 1 . 2 .]"
1 47 ASP 0.700 0.036 18 0 "[ . 1 . 2 .]"
1 48 GLU 4.632 0.079 9 0 "[ . 1 . 2 .]"
1 49 CYS 2.117 0.082 4 0 "[ . 1 . 2 .]"
1 50 GLN 2.385 0.065 7 0 "[ . 1 . 2 .]"
1 51 ARG 2.091 0.065 7 0 "[ . 1 . 2 .]"
1 52 ASP 1.434 0.078 25 0 "[ . 1 . 2 .]"
1 53 PRO 1.724 0.078 25 0 "[ . 1 . 2 .]"
1 54 LEU 2.670 0.066 6 0 "[ . 1 . 2 .]"
1 55 LEU 2.068 0.066 6 0 "[ . 1 . 2 .]"
1 56 CYS 0.391 0.048 9 0 "[ . 1 . 2 .]"
1 57 ARG 2.820 0.067 25 0 "[ . 1 . 2 .]"
1 58 GLY 0.365 0.033 3 0 "[ . 1 . 2 .]"
1 59 GLY 0.412 0.047 17 0 "[ . 1 . 2 .]"
1 60 VAL 1.303 0.077 17 0 "[ . 1 . 2 .]"
1 61 CYS 0.289 0.046 8 0 "[ . 1 . 2 .]"
1 62 HIS 2.695 0.120 16 0 "[ . 1 . 2 .]"
1 63 ASN 1.358 0.068 18 0 "[ . 1 . 2 .]"
1 64 THR 1.029 0.048 2 0 "[ . 1 . 2 .]"
1 65 GLU 0.302 0.057 5 0 "[ . 1 . 2 .]"
1 66 GLY 0.389 0.056 5 0 "[ . 1 . 2 .]"
1 67 SER 0.952 0.056 5 0 "[ . 1 . 2 .]"
1 68 TYR 2.329 0.071 3 0 "[ . 1 . 2 .]"
1 69 ARG 2.857 0.106 16 0 "[ . 1 . 2 .]"
1 70 CYS 1.772 0.086 8 0 "[ . 1 . 2 .]"
1 71 GLU 1.579 0.120 16 0 "[ . 1 . 2 .]"
1 72 CYS 3.407 0.155 13 0 "[ . 1 . 2 .]"
1 73 PRO 0.024 0.024 23 0 "[ . 1 . 2 .]"
1 74 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 76 HIS 1.628 0.105 22 0 "[ . 1 . 2 .]"
1 77 GLN 3.247 0.155 13 0 "[ . 1 . 2 .]"
1 78 LEU 2.520 0.088 11 0 "[ . 1 . 2 .]"
1 79 SER 1.007 0.065 9 0 "[ . 1 . 2 .]"
1 80 PRO 1.298 0.088 11 0 "[ . 1 . 2 .]"
1 81 ASN 1.963 0.071 3 0 "[ . 1 . 2 .]"
1 82 ILE 1.741 0.062 15 0 "[ . 1 . 2 .]"
1 83 SER 0.122 0.037 3 0 "[ . 1 . 2 .]"
1 84 ALA 2.050 0.067 25 0 "[ . 1 . 2 .]"
1 85 CYS 1.437 0.083 16 0 "[ . 1 . 2 .]"
1 86 ILE 1.856 0.065 9 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 THR HA 1 1 THR MG 0.000 . 2.800 2.175 1.911 2.728 . 0 0 "[ . 1 . 2 .]" 4
2 1 2 ASP H 1 2 ASP HA 0.000 . 2.800 2.644 2.275 2.898 0.098 2 0 "[ . 1 . 2 .]" 4
3 1 3 ILE HA 1 3 ILE MD 0.000 . 3.500 2.318 1.811 3.497 . 0 0 "[ . 1 . 2 .]" 4
4 1 3 ILE HA 1 3 ILE QG 0.000 . 3.500 2.647 1.996 3.433 . 0 0 "[ . 1 . 2 .]" 4
5 1 3 ILE HA 1 3 ILE MG 0.000 . 3.500 2.951 2.102 3.184 . 0 0 "[ . 1 . 2 .]" 4
6 1 3 ILE HB 1 3 ILE QG 0.000 . 2.800 2.297 2.175 2.521 . 0 0 "[ . 1 . 2 .]" 4
7 1 3 ILE H 1 3 ILE MD 0.000 . 3.500 3.235 1.842 3.612 0.112 14 0 "[ . 1 . 2 .]" 4
8 1 3 ILE H 1 3 ILE QG 0.000 . 5.000 3.797 1.856 4.218 . 0 0 "[ . 1 . 2 .]" 4
9 1 3 ILE QG 1 3 ILE MG 0.000 . 2.800 2.179 2.076 2.443 . 0 0 "[ . 1 . 2 .]" 4
10 1 5 GLU HA 1 5 GLU HG3 0.000 . 3.500 2.513 2.431 2.665 . 0 0 "[ . 1 . 2 .]" 4
11 1 5 GLU H 1 5 GLU HG3 0.000 . 5.000 3.002 2.476 3.492 . 0 0 "[ . 1 . 2 .]" 4
12 1 5 GLU H 1 5 GLU HG2 0.000 . 5.000 4.119 3.592 4.644 . 0 0 "[ . 1 . 2 .]" 4
13 1 8 ILE HA 1 8 ILE MG 0.000 . 2.800 2.527 2.470 2.571 . 0 0 "[ . 1 . 2 .]" 4
14 1 8 ILE H 1 8 ILE HG13 0.000 . 3.500 3.315 2.223 3.536 0.036 18 0 "[ . 1 . 2 .]" 4
15 1 8 ILE H 1 8 ILE HG12 0.000 . 5.000 2.421 2.151 3.537 . 0 0 "[ . 1 . 2 .]" 4
16 1 11 ASP HA 1 11 ASP HB2 0.000 . 2.800 2.749 2.599 2.815 0.015 14 0 "[ . 1 . 2 .]" 4
17 1 11 ASP H 1 11 ASP HB3 0.000 . 3.500 3.247 2.758 3.484 . 0 0 "[ . 1 . 2 .]" 4
18 1 11 ASP H 1 11 ASP HB2 0.000 . 3.500 2.922 2.357 3.503 0.003 5 0 "[ . 1 . 2 .]" 4
19 1 12 LEU H 1 12 LEU HA 0.000 . 2.800 2.700 2.634 2.732 . 0 0 "[ . 1 . 2 .]" 4
20 1 12 LEU HA 1 12 LEU MD1 0.000 . 3.500 3.483 3.396 3.542 0.042 4 0 "[ . 1 . 2 .]" 4
21 1 12 LEU H 1 12 LEU HB2 0.000 . 3.500 2.083 2.063 2.129 . 0 0 "[ . 1 . 2 .]" 4
22 1 12 LEU HB2 1 12 LEU MD1 0.000 . 3.500 2.026 1.920 2.167 . 0 0 "[ . 1 . 2 .]" 4
23 1 12 LEU HB2 1 12 LEU MD2 0.000 . 3.500 3.055 3.012 3.103 . 0 0 "[ . 1 . 2 .]" 4
24 1 14 GLY H 1 14 GLY HA3 0.000 . 2.800 2.782 2.402 2.883 0.083 15 0 "[ . 1 . 2 .]" 4
25 1 14 GLY H 1 14 GLY HA2 0.000 . 2.800 2.313 2.289 2.548 . 0 0 "[ . 1 . 2 .]" 4
26 1 15 ARG HA 1 15 ARG HD3 0.000 . 3.500 3.337 2.367 3.516 0.016 4 0 "[ . 1 . 2 .]" 4
27 1 15 ARG HA 1 15 ARG HD2 0.000 . 3.500 2.720 1.874 3.501 0.001 24 0 "[ . 1 . 2 .]" 4
28 1 15 ARG HA 1 15 ARG QG 0.000 . 2.800 2.627 2.281 2.817 0.017 16 0 "[ . 1 . 2 .]" 4
29 1 15 ARG HB3 1 15 ARG QG 0.000 . 2.800 2.146 2.132 2.167 . 0 0 "[ . 1 . 2 .]" 4
30 1 15 ARG HB2 1 15 ARG HD2 0.000 . 3.500 2.967 2.509 3.508 0.008 17 0 "[ . 1 . 2 .]" 4
31 1 15 ARG H 1 15 ARG QD 0.000 . 5.000 4.627 4.104 5.022 0.022 22 0 "[ . 1 . 2 .]" 4
32 1 15 ARG H 1 15 ARG QG 0.000 . 5.000 4.318 4.090 4.546 . 0 0 "[ . 1 . 2 .]" 4
33 1 17 GLN H 1 17 GLN HG3 0.000 . 5.000 3.275 2.873 3.616 . 0 0 "[ . 1 . 2 .]" 4
34 1 17 GLN H 1 17 GLN HG2 0.000 . 5.000 3.083 2.216 3.825 . 0 0 "[ . 1 . 2 .]" 4
35 1 21 THR HA 1 21 THR MG 0.000 . 2.800 2.590 2.461 2.663 . 0 0 "[ . 1 . 2 .]" 4
36 1 22 PRO HB3 1 22 PRO HD3 0.000 . 3.500 2.999 2.960 3.129 . 0 0 "[ . 1 . 2 .]" 4
37 1 24 ASP HA 1 24 ASP HB3 0.000 . 2.800 2.842 2.817 2.868 0.068 18 0 "[ . 1 . 2 .]" 4
38 1 24 ASP H 1 24 ASP HB2 0.000 . 3.500 3.194 3.113 3.237 . 0 0 "[ . 1 . 2 .]" 4
39 1 25 PHE HA 1 25 PHE HB2 0.000 . 2.800 2.339 2.313 2.380 . 0 0 "[ . 1 . 2 .]" 4
40 1 25 PHE HB3 1 25 PHE QD 0.000 . 2.800 2.418 2.281 2.504 . 0 0 "[ . 1 . 2 .]" 4
41 1 25 PHE HB3 1 25 PHE QE 0.000 . 5.000 4.410 4.369 4.435 . 0 0 "[ . 1 . 2 .]" 4
42 1 25 PHE HB2 1 25 PHE QD 0.000 . 2.800 2.358 2.296 2.548 . 0 0 "[ . 1 . 2 .]" 4
43 1 25 PHE HB2 1 25 PHE QE 0.000 . 5.000 4.394 4.372 4.447 . 0 0 "[ . 1 . 2 .]" 4
44 1 25 PHE H 1 25 PHE QD 0.000 . 5.000 2.983 2.575 3.549 . 0 0 "[ . 1 . 2 .]" 4
45 1 25 PHE H 1 25 PHE QE 0.000 . 5.000 4.669 4.334 4.907 . 0 0 "[ . 1 . 2 .]" 4
46 1 26 GLU HA 1 26 GLU QG 0.000 . 3.500 3.311 2.884 3.395 . 0 0 "[ . 1 . 2 .]" 4
47 1 27 CYS HA 1 27 CYS QB 0.000 . 2.800 2.416 2.161 2.535 . 0 0 "[ . 1 . 2 .]" 4
48 1 27 CYS H 1 27 CYS QB 0.000 . 3.500 2.839 2.500 3.210 . 0 0 "[ . 1 . 2 .]" 4
49 1 28 LYS HA 1 28 LYS HG2 0.000 . 2.800 2.550 2.212 2.800 0.000 25 0 "[ . 1 . 2 .]" 4
50 1 28 LYS HB2 1 28 LYS QD 0.000 . 3.500 3.309 3.242 3.434 . 0 0 "[ . 1 . 2 .]" 4
51 1 28 LYS H 1 28 LYS QD 0.000 . 6.000 4.252 4.125 4.506 . 0 0 "[ . 1 . 2 .]" 4
52 1 28 LYS QD 1 28 LYS HG2 0.000 . 2.800 2.331 2.145 2.518 . 0 0 "[ . 1 . 2 .]" 4
53 1 28 LYS H 1 28 LYS HG2 0.000 . 5.000 4.585 4.299 4.802 . 0 0 "[ . 1 . 2 .]" 4
54 1 31 GLU HA 1 31 GLU QB 0.000 . 2.800 2.289 2.182 2.381 . 0 0 "[ . 1 . 2 .]" 4
55 1 31 GLU HA 1 31 GLU QG 0.000 . 2.800 2.619 2.343 2.819 0.019 24 0 "[ . 1 . 2 .]" 4
56 1 31 GLU H 1 31 GLU QB 0.000 . 3.500 2.740 2.327 3.140 . 0 0 "[ . 1 . 2 .]" 4
57 1 33 TYR HA 1 33 TYR QD 0.000 . 3.500 2.367 1.864 3.120 . 0 0 "[ . 1 . 2 .]" 4
58 1 33 TYR HA 1 33 TYR QE 0.000 . 5.000 4.421 4.233 4.708 . 0 0 "[ . 1 . 2 .]" 4
59 1 33 TYR HB2 1 33 TYR QD 0.000 . 3.500 2.581 2.290 2.773 . 0 0 "[ . 1 . 2 .]" 4
60 1 33 TYR HB2 1 33 TYR QE 0.000 . 5.000 4.464 4.389 4.515 . 0 0 "[ . 1 . 2 .]" 4
61 1 33 TYR H 1 33 TYR QD 0.000 . 3.500 2.680 1.842 3.333 . 0 0 "[ . 1 . 2 .]" 4
62 1 34 GLU HA 1 34 GLU HB3 0.000 . 2.800 2.758 2.644 2.946 0.146 10 0 "[ . 1 . 2 .]" 4
63 1 35 SER H 1 35 SER HA 0.000 . 2.800 2.824 2.499 2.904 0.104 5 0 "[ . 1 . 2 .]" 4
64 1 35 SER H 1 35 SER HB3 0.000 . 3.500 2.812 2.095 3.503 0.003 11 0 "[ . 1 . 2 .]" 4
65 1 36 GLY H 1 36 GLY HA2 0.000 . 2.800 2.500 2.304 2.860 0.060 20 0 "[ . 1 . 2 .]" 4
66 1 37 PHE HA 1 37 PHE QB 0.000 . 2.800 2.287 2.147 2.394 . 0 0 "[ . 1 . 2 .]" 4
67 1 37 PHE HA 1 37 PHE QE 0.000 . 6.000 4.754 4.232 5.593 . 0 0 "[ . 1 . 2 .]" 4
68 1 37 PHE H 1 37 PHE QB 0.000 . 3.500 2.459 2.142 3.194 . 0 0 "[ . 1 . 2 .]" 4
69 1 37 PHE QB 1 37 PHE QD 0.000 . 2.800 2.150 2.121 2.281 . 0 0 "[ . 1 . 2 .]" 4
70 1 37 PHE H 1 37 PHE QD 0.000 . 5.000 4.074 2.285 4.526 . 0 0 "[ . 1 . 2 .]" 4
71 1 38 MET H 1 38 MET HA 0.000 . 2.800 2.729 2.371 2.927 0.127 7 0 "[ . 1 . 2 .]" 4
72 1 38 MET HA 1 38 MET HG3 0.000 . 3.500 3.495 3.187 3.556 0.056 20 0 "[ . 1 . 2 .]" 4
73 1 38 MET H 1 38 MET QB 0.000 . 3.500 3.254 2.678 3.511 0.011 16 0 "[ . 1 . 2 .]" 4
74 1 38 MET H 1 38 MET QG 0.000 . 3.500 2.528 1.786 3.608 0.108 10 0 "[ . 1 . 2 .]" 4
75 1 39 MET HA 1 39 MET QB 0.000 . 2.800 2.232 2.151 2.324 . 0 0 "[ . 1 . 2 .]" 4
76 1 39 MET H 1 39 MET HG3 0.000 . 5.000 3.309 2.262 4.113 . 0 0 "[ . 1 . 2 .]" 4
77 1 39 MET H 1 39 MET HG2 0.000 . 5.000 2.172 1.822 3.394 . 0 0 "[ . 1 . 2 .]" 4
78 1 40 MET HA 1 40 MET QB 0.000 . 2.800 2.259 2.148 2.440 . 0 0 "[ . 1 . 2 .]" 4
79 1 40 MET HA 1 40 MET HG2 0.000 . 3.500 3.070 2.317 3.590 0.090 24 0 "[ . 1 . 2 .]" 4
80 1 40 MET H 1 40 MET HG2 0.000 . 3.500 3.109 2.482 3.615 0.115 9 0 "[ . 1 . 2 .]" 4
81 1 41 LYS HA 1 41 LYS QB 0.000 . 2.800 2.471 2.273 2.540 . 0 0 "[ . 1 . 2 .]" 4
82 1 41 LYS HA 1 41 LYS HD3 0.000 . 5.000 2.886 1.852 3.861 . 0 0 "[ . 1 . 2 .]" 4
83 1 41 LYS HA 1 41 LYS HD2 0.000 . 3.500 2.804 1.896 3.548 0.048 17 0 "[ . 1 . 2 .]" 4
84 1 41 LYS HA 1 41 LYS QG 0.000 . 3.500 2.521 2.073 3.176 . 0 0 "[ . 1 . 2 .]" 4
85 1 41 LYS H 1 41 LYS QB 0.000 . 3.500 2.925 2.684 3.118 . 0 0 "[ . 1 . 2 .]" 4
86 1 41 LYS QB 1 41 LYS HE3 0.000 . 5.000 4.306 3.720 4.603 . 0 0 "[ . 1 . 2 .]" 4
87 1 41 LYS QB 1 41 LYS HE2 0.000 . 5.000 3.854 2.197 4.495 . 0 0 "[ . 1 . 2 .]" 4
88 1 41 LYS H 1 41 LYS QD 0.000 . 5.000 4.341 2.872 5.012 0.012 12 0 "[ . 1 . 2 .]" 4
89 1 41 LYS HD3 1 41 LYS QG 0.000 . 2.800 2.386 2.143 2.510 . 0 0 "[ . 1 . 2 .]" 4
90 1 41 LYS HD2 1 41 LYS QG 0.000 . 2.800 2.296 2.177 2.510 . 0 0 "[ . 1 . 2 .]" 4
91 1 41 LYS H 1 41 LYS QG 0.000 . 5.000 4.212 3.286 4.574 . 0 0 "[ . 1 . 2 .]" 4
92 1 42 ASN H 1 42 ASN HA 0.000 . 2.800 2.807 2.301 2.918 0.118 20 0 "[ . 1 . 2 .]" 4
93 1 42 ASN HA 1 42 ASN HB2 0.000 . 2.800 2.409 2.249 2.768 . 0 0 "[ . 1 . 2 .]" 4
94 1 42 ASN HA 1 42 ASN HD22 0.000 . 5.000 4.884 4.780 5.018 0.018 3 0 "[ . 1 . 2 .]" 4
95 1 44 MET HA 1 44 MET QG 0.000 . 3.500 2.977 2.054 3.373 . 0 0 "[ . 1 . 2 .]" 4
96 1 44 MET H 1 44 MET QB 0.000 . 3.500 2.848 2.365 3.160 . 0 0 "[ . 1 . 2 .]" 4
97 1 44 MET H 1 44 MET QG 0.000 . 5.000 2.806 1.876 4.058 . 0 0 "[ . 1 . 2 .]" 4
98 1 46 ILE H 1 46 ILE MD 0.000 . 5.000 3.666 3.527 4.380 . 0 0 "[ . 1 . 2 .]" 4
99 1 46 ILE MD 1 46 ILE MG 0.000 . 3.500 2.504 1.671 2.629 . 0 0 "[ . 1 . 2 .]" 4
100 1 48 GLU H 1 48 GLU HB3 0.000 . 3.500 3.560 3.538 3.579 0.079 9 0 "[ . 1 . 2 .]" 4
101 1 48 GLU H 1 48 GLU HB2 0.000 . 3.500 2.397 2.280 2.645 . 0 0 "[ . 1 . 2 .]" 4
102 1 48 GLU H 1 48 GLU HG3 0.000 . 3.500 3.091 2.652 3.372 . 0 0 "[ . 1 . 2 .]" 4
103 1 48 GLU H 1 48 GLU HG2 0.000 . 5.000 3.940 3.658 4.120 . 0 0 "[ . 1 . 2 .]" 4
104 1 49 CYS HA 1 49 CYS QB 0.000 . 2.800 2.361 2.284 2.542 . 0 0 "[ . 1 . 2 .]" 4
105 1 49 CYS H 1 49 CYS QB 0.000 . 3.500 2.297 2.053 2.540 . 0 0 "[ . 1 . 2 .]" 4
106 1 50 GLN HA 1 50 GLN HG2 0.000 . 3.500 2.148 2.127 2.210 . 0 0 "[ . 1 . 2 .]" 4
107 1 50 GLN HA 1 50 GLN HE21 0.000 . 6.000 4.712 3.787 5.077 . 0 0 "[ . 1 . 2 .]" 4
108 1 50 GLN H 1 50 GLN HG3 0.000 . 5.000 3.635 3.485 3.691 . 0 0 "[ . 1 . 2 .]" 4
109 1 50 GLN H 1 50 GLN HG2 0.000 . 5.000 4.100 3.949 4.232 . 0 0 "[ . 1 . 2 .]" 4
110 1 51 ARG HA 1 51 ARG HD3 0.000 . 5.000 4.398 3.933 4.733 . 0 0 "[ . 1 . 2 .]" 4
111 1 51 ARG HA 1 51 ARG HD2 0.000 . 5.000 4.743 4.574 4.875 . 0 0 "[ . 1 . 2 .]" 4
112 1 51 ARG HA 1 51 ARG QG 0.000 . 3.500 2.578 2.481 2.687 . 0 0 "[ . 1 . 2 .]" 4
113 1 51 ARG HB3 1 51 ARG HD2 0.000 . 3.500 2.616 2.481 3.070 . 0 0 "[ . 1 . 2 .]" 4
114 1 51 ARG HB3 1 51 ARG QG 0.000 . 2.800 2.500 2.411 2.524 . 0 0 "[ . 1 . 2 .]" 4
115 1 51 ARG HB2 1 51 ARG HD3 0.000 . 3.500 3.481 3.038 3.541 0.041 16 0 "[ . 1 . 2 .]" 4
116 1 51 ARG H 1 51 ARG HD3 0.000 . 5.000 4.579 4.170 4.996 . 0 0 "[ . 1 . 2 .]" 4
117 1 54 LEU HA 1 54 LEU HG 0.000 . 3.500 3.123 2.123 3.560 0.060 7 0 "[ . 1 . 2 .]" 4
118 1 54 LEU QB 1 54 LEU HG 0.000 . 2.800 2.250 2.144 2.532 . 0 0 "[ . 1 . 2 .]" 4
119 1 54 LEU QB 1 54 LEU MD2 0.000 . 2.800 2.193 1.937 2.525 . 0 0 "[ . 1 . 2 .]" 4
120 1 54 LEU H 1 54 LEU MD1 0.000 . 5.000 3.946 2.150 4.600 . 0 0 "[ . 1 . 2 .]" 4
121 1 54 LEU H 1 54 LEU MD2 0.000 . 5.000 3.639 3.059 4.719 . 0 0 "[ . 1 . 2 .]" 4
122 1 55 LEU HA 1 55 LEU MD2 0.000 . 3.500 3.438 3.349 3.533 0.033 3 0 "[ . 1 . 2 .]" 4
123 1 55 LEU HB3 1 55 LEU MD1 0.000 . 3.500 2.819 2.774 2.879 . 0 0 "[ . 1 . 2 .]" 4
124 1 55 LEU HB3 1 55 LEU MD2 0.000 . 3.500 1.928 1.893 1.990 . 0 0 "[ . 1 . 2 .]" 4
125 1 55 LEU H 1 55 LEU MD1 0.000 . 5.000 3.828 3.759 3.897 . 0 0 "[ . 1 . 2 .]" 4
126 1 55 LEU MD1 1 55 LEU MD2 0.000 . 2.800 1.933 1.871 2.012 . 0 0 "[ . 1 . 2 .]" 4
127 1 55 LEU H 1 55 LEU MD2 0.000 . 5.000 4.371 4.325 4.412 . 0 0 "[ . 1 . 2 .]" 4
128 1 57 ARG H 1 57 ARG HA 0.000 . 2.800 2.740 2.675 2.821 0.021 2 0 "[ . 1 . 2 .]" 4
129 1 57 ARG HA 1 57 ARG QD 0.000 . 5.000 3.799 3.494 4.053 . 0 0 "[ . 1 . 2 .]" 4
130 1 57 ARG H 1 57 ARG HB2 0.000 . 2.800 2.225 2.071 2.291 . 0 0 "[ . 1 . 2 .]" 4
131 1 57 ARG H 1 57 ARG QD 0.000 . 5.000 4.514 4.441 4.571 . 0 0 "[ . 1 . 2 .]" 4
132 1 60 VAL H 1 60 VAL HB 0.000 . 3.500 2.684 2.493 2.853 . 0 0 "[ . 1 . 2 .]" 4
133 1 60 VAL MG1 1 60 VAL MG2 0.000 . 2.800 2.063 1.991 2.096 . 0 0 "[ . 1 . 2 .]" 4
134 1 62 HIS HA 1 62 HIS HE1 0.000 . 6.000 5.749 5.579 5.957 . 0 0 "[ . 1 . 2 .]" 4
135 1 62 HIS HB2 1 62 HIS HE1 0.000 . 5.000 4.732 4.691 4.840 . 0 0 "[ . 1 . 2 .]" 4
136 1 62 HIS H 1 62 HIS HE1 0.000 . 5.000 4.749 3.908 5.013 0.013 9 0 "[ . 1 . 2 .]" 4
137 1 63 ASN HA 1 63 ASN HD22 0.000 . 5.000 4.402 4.285 4.474 . 0 0 "[ . 1 . 2 .]" 4
138 1 63 ASN H 1 63 ASN HB3 0.000 . 3.500 2.485 2.365 2.550 . 0 0 "[ . 1 . 2 .]" 4
139 1 63 ASN H 1 63 ASN HD21 0.000 . 5.000 4.716 4.661 4.798 . 0 0 "[ . 1 . 2 .]" 4
140 1 63 ASN H 1 63 ASN HD22 0.000 . 6.000 5.824 5.796 5.857 . 0 0 "[ . 1 . 2 .]" 4
141 1 64 THR HA 1 64 THR MG 0.000 . 3.500 2.680 2.530 3.036 . 0 0 "[ . 1 . 2 .]" 4
142 1 64 THR H 1 64 THR MG 0.000 . 3.500 2.135 1.828 2.460 . 0 0 "[ . 1 . 2 .]" 4
143 1 65 GLU HA 1 65 GLU HB3 0.000 . 2.800 2.684 2.302 2.811 0.011 23 0 "[ . 1 . 2 .]" 4
144 1 65 GLU H 1 65 GLU QG 0.000 . 5.000 3.051 1.836 3.650 . 0 0 "[ . 1 . 2 .]" 4
145 1 67 SER HA 1 67 SER HB2 0.000 . 2.800 2.640 2.349 2.841 0.041 8 0 "[ . 1 . 2 .]" 4
146 1 68 TYR HA 1 68 TYR HB2 0.000 . 2.800 2.316 2.272 2.479 . 0 0 "[ . 1 . 2 .]" 4
147 1 68 TYR HB3 1 68 TYR QD 0.000 . 2.800 2.443 2.319 2.629 . 0 0 "[ . 1 . 2 .]" 4
148 1 68 TYR HB3 1 68 TYR QE 0.000 . 5.000 4.423 4.387 4.474 . 0 0 "[ . 1 . 2 .]" 4
149 1 68 TYR HB2 1 68 TYR QD 0.000 . 2.800 2.365 2.267 2.487 . 0 0 "[ . 1 . 2 .]" 4
150 1 68 TYR HB2 1 68 TYR QE 0.000 . 5.000 4.403 4.372 4.438 . 0 0 "[ . 1 . 2 .]" 4
151 1 69 ARG H 1 69 ARG QB 0.000 . 3.500 2.921 2.802 3.027 . 0 0 "[ . 1 . 2 .]" 4
152 1 69 ARG QB 1 69 ARG HD2 0.000 . 3.500 2.607 2.074 3.239 . 0 0 "[ . 1 . 2 .]" 4
153 1 69 ARG H 1 69 ARG QD 0.000 . 3.500 3.068 2.531 3.527 0.027 9 0 "[ . 1 . 2 .]" 4
154 1 69 ARG H 1 69 ARG QG 0.000 . 5.000 1.932 1.832 2.219 . 0 0 "[ . 1 . 2 .]" 4
155 1 70 CYS H 1 70 CYS QB 0.000 . 3.500 2.358 2.147 2.605 . 0 0 "[ . 1 . 2 .]" 4
156 1 71 GLU HA 1 71 GLU HG2 0.000 . 3.500 3.055 2.484 3.579 0.079 18 0 "[ . 1 . 2 .]" 4
157 1 71 GLU H 1 71 GLU HB3 0.000 . 3.500 3.110 2.570 3.319 . 0 0 "[ . 1 . 2 .]" 4
158 1 71 GLU H 1 71 GLU HG2 0.000 . 5.000 4.759 4.204 4.915 . 0 0 "[ . 1 . 2 .]" 4
159 1 77 GLN HA 1 77 GLN HG3 0.000 . 3.500 3.134 2.567 3.588 0.088 17 0 "[ . 1 . 2 .]" 4
160 1 77 GLN H 1 77 GLN HB2 0.000 . 3.500 2.971 2.647 3.421 . 0 0 "[ . 1 . 2 .]" 4
161 1 77 GLN H 1 77 GLN QG 0.000 . 5.000 3.978 2.754 4.323 . 0 0 "[ . 1 . 2 .]" 4
162 1 78 LEU HA 1 78 LEU MD1 0.000 . 3.500 1.834 1.742 1.965 . 0 0 "[ . 1 . 2 .]" 4
163 1 78 LEU H 1 78 LEU HG 0.000 . 5.000 4.466 4.361 4.619 . 0 0 "[ . 1 . 2 .]" 4
164 1 78 LEU H 1 78 LEU HB3 0.000 . 3.500 2.431 2.319 2.634 . 0 0 "[ . 1 . 2 .]" 4
165 1 78 LEU H 1 78 LEU HB2 0.000 . 2.800 2.703 2.440 2.814 0.014 3 0 "[ . 1 . 2 .]" 4
166 1 80 PRO HA 1 80 PRO QG 0.000 . 3.500 3.107 2.709 3.509 0.009 4 0 "[ . 1 . 2 .]" 4
167 1 81 ASN H 1 81 ASN HD22 0.000 . 6.000 4.861 4.008 5.431 . 0 0 "[ . 1 . 2 .]" 4
168 1 82 ILE HA 1 82 ILE MD 0.000 . 3.500 2.708 1.997 3.143 . 0 0 "[ . 1 . 2 .]" 4
169 1 82 ILE H 1 82 ILE MD 0.000 . 3.500 1.976 1.757 2.398 . 0 0 "[ . 1 . 2 .]" 4
170 1 85 CYS H 1 85 CYS HB3 0.000 . 3.500 3.144 2.507 3.455 . 0 0 "[ . 1 . 2 .]" 4
171 1 85 CYS H 1 85 CYS HB2 0.000 . 3.500 2.187 2.052 2.624 . 0 0 "[ . 1 . 2 .]" 4
172 1 86 ILE HA 1 86 ILE HG13 0.000 . 3.500 3.430 2.985 3.548 0.048 3 0 "[ . 1 . 2 .]" 4
173 1 86 ILE H 1 86 ILE MD 0.000 . 5.000 4.170 3.609 4.424 . 0 0 "[ . 1 . 2 .]" 4
174 1 86 ILE H 1 86 ILE HG13 0.000 . 5.000 2.707 2.285 3.057 . 0 0 "[ . 1 . 2 .]" 4
175 1 86 ILE HG13 1 86 ILE MG 0.000 . 3.500 3.184 3.150 3.202 . 0 0 "[ . 1 . 2 .]" 4
176 1 86 ILE H 1 86 ILE HG12 0.000 . 5.000 3.481 3.193 3.795 . 0 0 "[ . 1 . 2 .]" 4
177 1 1 THR HA 1 2 ASP H 0.000 . 3.500 2.823 2.151 3.522 0.022 9 0 "[ . 1 . 2 .]" 4
178 1 1 THR HB 1 2 ASP H 0.000 . 5.000 2.984 1.872 4.598 . 0 0 "[ . 1 . 2 .]" 4
179 1 1 THR MG 1 2 ASP H 0.000 . 5.000 3.413 2.122 4.356 . 0 0 "[ . 1 . 2 .]" 4
180 1 2 ASP HA 1 3 ILE H 0.000 . 2.800 2.311 2.137 2.653 . 0 0 "[ . 1 . 2 .]" 4
181 1 2 ASP H 1 3 ILE H 0.000 . 5.000 3.340 2.313 4.428 . 0 0 "[ . 1 . 2 .]" 4
182 1 2 ASP H 1 3 ILE MG 0.000 . 6.000 5.134 3.118 6.030 0.030 20 0 "[ . 1 . 2 .]" 4
183 1 2 ASP HB3 1 3 ILE H 0.000 . 5.000 4.446 4.306 4.562 . 0 0 "[ . 1 . 2 .]" 4
184 1 2 ASP HB2 1 3 ILE H 0.000 . 5.000 4.544 4.215 4.664 . 0 0 "[ . 1 . 2 .]" 4
185 1 3 ILE HA 1 4 ASP H 0.000 . 3.500 2.531 2.317 2.808 . 0 0 "[ . 1 . 2 .]" 4
186 1 3 ILE H 1 4 ASP H 0.000 . 5.000 4.507 4.376 4.587 . 0 0 "[ . 1 . 2 .]" 4
187 1 3 ILE MD 1 4 ASP H 0.000 . 5.000 3.362 2.185 4.635 . 0 0 "[ . 1 . 2 .]" 4
188 1 3 ILE QG 1 4 ASP H 0.000 . 6.000 2.406 1.828 4.298 . 0 0 "[ . 1 . 2 .]" 4
189 1 3 ILE MG 1 4 ASP HA 0.000 . 5.000 3.967 3.548 4.853 . 0 0 "[ . 1 . 2 .]" 4
190 1 3 ILE MG 1 4 ASP H 0.000 . 5.000 2.419 1.793 3.970 . 0 0 "[ . 1 . 2 .]" 4
191 1 4 ASP HA 1 5 GLU H 0.000 . 3.500 2.863 2.135 3.546 0.046 6 0 "[ . 1 . 2 .]" 4
192 1 4 ASP H 1 5 GLU H 0.000 . 5.000 3.381 2.313 4.345 . 0 0 "[ . 1 . 2 .]" 4
193 1 4 ASP HB3 1 5 GLU H 0.000 . 5.000 3.420 1.825 4.430 . 0 0 "[ . 1 . 2 .]" 4
194 1 4 ASP HB2 1 5 GLU H 0.000 . 5.000 4.187 3.409 4.650 . 0 0 "[ . 1 . 2 .]" 4
195 1 5 GLU HA 1 6 CYS H 0.000 . 5.000 3.499 3.371 3.589 . 0 0 "[ . 1 . 2 .]" 4
196 1 5 GLU H 1 6 CYS H 0.000 . 5.000 2.964 2.143 3.581 . 0 0 "[ . 1 . 2 .]" 4
197 1 5 GLU HB3 1 6 CYS H 0.000 . 5.000 3.788 3.394 4.168 . 0 0 "[ . 1 . 2 .]" 4
198 1 5 GLU HB2 1 6 CYS H 0.000 . 5.000 2.692 2.217 3.273 . 0 0 "[ . 1 . 2 .]" 4
199 1 5 GLU HG3 1 6 CYS H 0.000 . 6.000 4.698 4.435 5.012 . 0 0 "[ . 1 . 2 .]" 4
200 1 6 CYS H 1 7 ARG HB2 0.000 . 6.000 4.472 4.133 5.042 . 0 0 "[ . 1 . 2 .]" 4
201 1 7 ARG HA 1 8 ILE H 0.000 . 3.500 3.489 3.428 3.513 0.013 13 0 "[ . 1 . 2 .]" 4
202 1 8 ILE HA 1 9 SER H 0.000 . 3.500 3.517 3.503 3.544 0.044 9 0 "[ . 1 . 2 .]" 4
203 1 8 ILE HB 1 9 SER H 0.000 . 3.500 2.675 2.309 2.760 . 0 0 "[ . 1 . 2 .]" 4
204 1 8 ILE H 1 9 SER HA 0.000 . 6.000 5.292 5.223 5.323 . 0 0 "[ . 1 . 2 .]" 4
205 1 8 ILE H 1 9 SER QB 0.000 . 5.000 5.040 5.024 5.056 0.056 15 0 "[ . 1 . 2 .]" 4
206 1 8 ILE HG13 1 9 SER H 0.000 . 6.000 4.873 4.440 5.023 . 0 0 "[ . 1 . 2 .]" 4
207 1 8 ILE HG12 1 9 SER H 0.000 . 5.000 4.531 4.305 5.011 0.011 16 0 "[ . 1 . 2 .]" 4
208 1 8 ILE MG 1 9 SER H 0.000 . 5.000 3.174 2.868 3.277 . 0 0 "[ . 1 . 2 .]" 4
209 1 8 ILE MG 1 9 SER QB 0.000 . 5.000 2.298 2.151 2.503 . 0 0 "[ . 1 . 2 .]" 4
210 1 9 SER HA 1 10 PRO HD3 0.000 . 2.800 1.855 1.802 2.068 . 0 0 "[ . 1 . 2 .]" 4
211 1 10 PRO HA 1 11 ASP H 0.000 . 3.500 3.443 3.426 3.472 . 0 0 "[ . 1 . 2 .]" 4
212 1 10 PRO HB2 1 11 ASP H 0.000 . 5.000 3.382 3.178 3.618 . 0 0 "[ . 1 . 2 .]" 4
213 1 10 PRO HD3 1 11 ASP H 0.000 . 5.000 3.361 3.260 3.632 . 0 0 "[ . 1 . 2 .]" 4
214 1 11 ASP HA 1 12 LEU H 0.000 . 3.500 3.007 2.884 3.145 . 0 0 "[ . 1 . 2 .]" 4
215 1 11 ASP H 1 12 LEU HA 0.000 . 5.000 4.310 4.172 4.451 . 0 0 "[ . 1 . 2 .]" 4
216 1 11 ASP H 1 12 LEU H 0.000 . 3.500 2.456 2.325 2.575 . 0 0 "[ . 1 . 2 .]" 4
217 1 11 ASP H 1 12 LEU HB2 0.000 . 5.000 4.364 4.202 4.585 . 0 0 "[ . 1 . 2 .]" 4
218 1 11 ASP QB 1 12 LEU H 0.000 . 5.000 3.789 3.626 3.937 . 0 0 "[ . 1 . 2 .]" 4
219 1 12 LEU HA 1 13 CYS H 0.000 . 3.500 3.544 3.510 3.560 0.060 5 0 "[ . 1 . 2 .]" 4
220 1 12 LEU H 1 13 CYS H 0.000 . 5.000 3.031 2.866 3.238 . 0 0 "[ . 1 . 2 .]" 4
221 1 12 LEU HB2 1 13 CYS H 0.000 . 5.000 3.119 2.877 3.320 . 0 0 "[ . 1 . 2 .]" 4
222 1 13 CYS HA 1 14 GLY H 0.000 . 5.000 3.208 2.828 3.403 . 0 0 "[ . 1 . 2 .]" 4
223 1 13 CYS H 1 14 GLY H 0.000 . 3.500 2.637 2.182 3.025 . 0 0 "[ . 1 . 2 .]" 4
224 1 13 CYS H 1 14 GLY HA3 0.000 . 6.000 5.202 4.884 5.323 . 0 0 "[ . 1 . 2 .]" 4
225 1 13 CYS H 1 14 GLY HA2 0.000 . 5.000 4.814 4.489 5.016 0.016 4 0 "[ . 1 . 2 .]" 4
226 1 13 CYS HB2 1 14 GLY H 0.000 . 5.000 3.823 3.223 4.538 . 0 0 "[ . 1 . 2 .]" 4
227 1 14 GLY H 1 15 ARG H 0.000 . 5.000 2.907 2.657 3.911 . 0 0 "[ . 1 . 2 .]" 4
228 1 14 GLY H 1 15 ARG HB3 0.000 . 6.000 5.797 5.433 6.051 0.051 5 0 "[ . 1 . 2 .]" 4
229 1 14 GLY H 1 15 ARG HB2 0.000 . 6.000 5.686 5.342 6.032 0.032 5 0 "[ . 1 . 2 .]" 4
230 1 14 GLY HA3 1 15 ARG H 0.000 . 3.500 3.298 2.740 3.511 0.011 22 0 "[ . 1 . 2 .]" 4
231 1 15 ARG H 1 16 GLY H 0.000 . 5.000 2.222 1.863 2.765 . 0 0 "[ . 1 . 2 .]" 4
232 1 15 ARG HB3 1 16 GLY H 0.000 . 5.000 2.617 2.122 3.849 . 0 0 "[ . 1 . 2 .]" 4
233 1 15 ARG HB2 1 16 GLY H 0.000 . 5.000 3.759 3.294 4.433 . 0 0 "[ . 1 . 2 .]" 4
234 1 15 ARG QD 1 16 GLY H 0.000 . 5.000 4.884 4.631 5.032 0.032 4 0 "[ . 1 . 2 .]" 4
235 1 15 ARG QG 1 16 GLY H 0.000 . 5.000 3.738 2.956 4.482 . 0 0 "[ . 1 . 2 .]" 4
236 1 16 GLY H 1 17 GLN H 0.000 . 5.000 4.282 3.916 4.629 . 0 0 "[ . 1 . 2 .]" 4
237 1 16 GLY HA3 1 17 GLN H 0.000 . 3.500 2.317 2.148 2.742 . 0 0 "[ . 1 . 2 .]" 4
238 1 16 GLY HA2 1 17 GLN H 0.000 . 3.500 2.855 2.370 3.163 . 0 0 "[ . 1 . 2 .]" 4
239 1 17 GLN HA 1 18 CYS H 0.000 . 3.500 2.172 2.145 2.300 . 0 0 "[ . 1 . 2 .]" 4
240 1 17 GLN H 1 18 CYS HA 0.000 . 5.000 4.742 4.509 4.979 . 0 0 "[ . 1 . 2 .]" 4
241 1 17 GLN H 1 18 CYS H 0.000 . 5.000 4.089 3.869 4.271 . 0 0 "[ . 1 . 2 .]" 4
242 1 17 GLN HB3 1 18 CYS H 0.000 . 5.000 3.706 3.368 4.147 . 0 0 "[ . 1 . 2 .]" 4
243 1 17 GLN HB2 1 18 CYS H 0.000 . 5.000 4.294 4.070 4.481 . 0 0 "[ . 1 . 2 .]" 4
244 1 17 GLN QG 1 18 CYS H 0.000 . 5.000 4.483 4.217 4.648 . 0 0 "[ . 1 . 2 .]" 4
245 1 18 CYS HA 1 19 VAL H 0.000 . 3.500 2.236 2.136 2.362 . 0 0 "[ . 1 . 2 .]" 4
246 1 18 CYS H 1 19 VAL H 0.000 . 5.000 4.607 4.533 4.640 . 0 0 "[ . 1 . 2 .]" 4
247 1 18 CYS HB3 1 19 VAL H 0.000 . 5.000 3.919 3.723 4.160 . 0 0 "[ . 1 . 2 .]" 4
248 1 19 VAL HA 1 20 ASN H 0.000 . 2.800 2.392 2.240 2.462 . 0 0 "[ . 1 . 2 .]" 4
249 1 19 VAL HB 1 20 ASN H 0.000 . 5.000 3.766 3.714 3.892 . 0 0 "[ . 1 . 2 .]" 4
250 1 19 VAL H 1 20 ASN H 0.000 . 5.000 4.455 4.414 4.525 . 0 0 "[ . 1 . 2 .]" 4
251 1 20 ASN HA 1 21 THR MG 0.000 . 5.000 3.145 2.923 3.455 . 0 0 "[ . 1 . 2 .]" 4
252 1 20 ASN H 1 21 THR H 0.000 . 5.000 4.538 4.470 4.612 . 0 0 "[ . 1 . 2 .]" 4
253 1 20 ASN HB3 1 21 THR H 0.000 . 5.000 3.697 2.944 3.873 . 0 0 "[ . 1 . 2 .]" 4
254 1 20 ASN HD21 1 21 THR H 0.000 . 5.000 3.659 3.323 4.483 . 0 0 "[ . 1 . 2 .]" 4
255 1 21 THR HA 1 22 PRO HB2 0.000 . 6.000 5.577 5.431 5.643 . 0 0 "[ . 1 . 2 .]" 4
256 1 21 THR HA 1 22 PRO HD3 0.000 . 2.800 2.556 2.423 2.631 . 0 0 "[ . 1 . 2 .]" 4
257 1 21 THR HA 1 22 PRO HD2 0.000 . 2.800 2.218 2.028 2.373 . 0 0 "[ . 1 . 2 .]" 4
258 1 21 THR HA 1 22 PRO HG3 0.000 . 5.000 4.559 4.497 4.637 . 0 0 "[ . 1 . 2 .]" 4
259 1 21 THR HA 1 22 PRO HG2 0.000 . 5.000 4.385 4.207 4.513 . 0 0 "[ . 1 . 2 .]" 4
260 1 21 THR H 1 22 PRO HD3 0.000 . 6.000 5.005 4.933 5.054 . 0 0 "[ . 1 . 2 .]" 4
261 1 21 THR H 1 22 PRO HD2 0.000 . 5.000 4.692 4.635 4.776 . 0 0 "[ . 1 . 2 .]" 4
262 1 21 THR MG 1 22 PRO HD3 0.000 . 5.000 4.487 4.283 4.620 . 0 0 "[ . 1 . 2 .]" 4
263 1 21 THR MG 1 22 PRO HD2 0.000 . 3.500 3.472 3.315 3.526 0.026 2 0 "[ . 1 . 2 .]" 4
264 1 22 PRO HB2 1 23 GLY H 0.000 . 5.000 3.915 3.744 4.055 . 0 0 "[ . 1 . 2 .]" 4
265 1 22 PRO HD3 1 23 GLY H 0.000 . 6.000 5.285 5.124 5.423 . 0 0 "[ . 1 . 2 .]" 4
266 1 22 PRO HG2 1 23 GLY H 0.000 . 6.000 5.245 5.095 5.432 . 0 0 "[ . 1 . 2 .]" 4
267 1 23 GLY H 1 24 ASP H 0.000 . 3.500 2.794 2.559 2.910 . 0 0 "[ . 1 . 2 .]" 4
268 1 23 GLY HA3 1 24 ASP H 0.000 . 3.500 3.533 3.503 3.545 0.045 24 0 "[ . 1 . 2 .]" 4
269 1 23 GLY HA2 1 24 ASP H 0.000 . 3.500 2.776 2.720 2.928 . 0 0 "[ . 1 . 2 .]" 4
270 1 24 ASP H 1 25 PHE HA 0.000 . 5.000 4.735 4.666 4.788 . 0 0 "[ . 1 . 2 .]" 4
271 1 24 ASP H 1 25 PHE H 0.000 . 5.000 4.346 4.316 4.361 . 0 0 "[ . 1 . 2 .]" 4
272 1 24 ASP H 1 25 PHE HB3 0.000 . 6.000 4.557 4.392 4.669 . 0 0 "[ . 1 . 2 .]" 4
273 1 24 ASP HB3 1 25 PHE HB3 0.000 . 5.000 4.833 4.711 5.019 0.019 18 0 "[ . 1 . 2 .]" 4
274 1 24 ASP HB2 1 25 PHE H 0.000 . 5.000 3.592 3.435 3.838 . 0 0 "[ . 1 . 2 .]" 4
275 1 25 PHE HA 1 26 GLU HA 0.000 . 5.000 4.449 4.370 4.639 . 0 0 "[ . 1 . 2 .]" 4
276 1 25 PHE HA 1 26 GLU H 0.000 . 3.500 2.338 2.197 2.623 . 0 0 "[ . 1 . 2 .]" 4
277 1 25 PHE HA 1 26 GLU QG 0.000 . 5.000 3.559 2.867 4.017 . 0 0 "[ . 1 . 2 .]" 4
278 1 25 PHE H 1 26 GLU HA 0.000 . 6.000 4.656 4.499 4.812 . 0 0 "[ . 1 . 2 .]" 4
279 1 25 PHE H 1 26 GLU H 0.000 . 5.000 4.294 4.154 4.381 . 0 0 "[ . 1 . 2 .]" 4
280 1 25 PHE H 1 26 GLU HB3 0.000 . 6.000 5.262 4.642 6.011 0.011 8 0 "[ . 1 . 2 .]" 4
281 1 25 PHE HB2 1 26 GLU H 0.000 . 5.000 2.728 2.133 3.133 . 0 0 "[ . 1 . 2 .]" 4
282 1 25 PHE QD 1 26 GLU HA 0.000 . 5.000 3.740 3.079 4.208 . 0 0 "[ . 1 . 2 .]" 4
283 1 25 PHE QD 1 26 GLU H 0.000 . 3.500 3.050 1.986 3.507 0.007 16 0 "[ . 1 . 2 .]" 4
284 1 25 PHE QE 1 26 GLU HA 0.000 . 5.000 4.574 3.672 5.022 0.022 10 0 "[ . 1 . 2 .]" 4
285 1 25 PHE QE 1 26 GLU H 0.000 . 6.000 5.101 4.148 5.507 . 0 0 "[ . 1 . 2 .]" 4
286 1 26 GLU HA 1 27 CYS H 0.000 . 3.500 2.814 2.540 3.062 . 0 0 "[ . 1 . 2 .]" 4
287 1 26 GLU H 1 27 CYS H 0.000 . 5.000 4.287 4.083 4.408 . 0 0 "[ . 1 . 2 .]" 4
288 1 26 GLU H 1 27 CYS QB 0.000 . 6.000 5.261 4.542 5.803 . 0 0 "[ . 1 . 2 .]" 4
289 1 26 GLU HB3 1 27 CYS HA 0.000 . 6.000 5.535 5.011 5.675 . 0 0 "[ . 1 . 2 .]" 4
290 1 26 GLU HB3 1 27 CYS H 0.000 . 3.500 3.283 2.359 3.520 0.020 17 0 "[ . 1 . 2 .]" 4
291 1 26 GLU HB2 1 27 CYS HA 0.000 . 5.000 4.292 3.871 4.577 . 0 0 "[ . 1 . 2 .]" 4
292 1 26 GLU HB2 1 27 CYS H 0.000 . 3.500 1.884 1.797 2.150 . 0 0 "[ . 1 . 2 .]" 4
293 1 26 GLU QG 1 27 CYS H 0.000 . 3.500 3.008 1.993 3.692 0.192 8 0 "[ . 1 . 2 .]" 4
294 1 27 CYS HA 1 28 LYS H 0.000 . 3.500 2.381 2.244 2.601 . 0 0 "[ . 1 . 2 .]" 4
295 1 27 CYS H 1 28 LYS H 0.000 . 5.000 4.363 4.276 4.451 . 0 0 "[ . 1 . 2 .]" 4
296 1 27 CYS QB 1 28 LYS H 0.000 . 5.000 2.592 2.107 2.859 . 0 0 "[ . 1 . 2 .]" 4
297 1 28 LYS H 1 29 CYS H 0.000 . 5.000 3.548 3.082 4.525 . 0 0 "[ . 1 . 2 .]" 4
298 1 28 LYS HB3 1 29 CYS H 0.000 . 5.000 4.331 3.397 4.416 . 0 0 "[ . 1 . 2 .]" 4
299 1 28 LYS QD 1 29 CYS H 0.000 . 5.000 3.325 1.789 3.994 . 0 0 "[ . 1 . 2 .]" 4
300 1 28 LYS HG3 1 29 CYS H 0.000 . 6.000 5.520 3.747 5.776 . 0 0 "[ . 1 . 2 .]" 4
301 1 28 LYS HG2 1 29 CYS H 0.000 . 6.000 4.643 2.485 5.219 . 0 0 "[ . 1 . 2 .]" 4
302 1 29 CYS HA 1 30 ASP H 0.000 . 3.500 2.459 2.213 2.656 . 0 0 "[ . 1 . 2 .]" 4
303 1 29 CYS H 1 30 ASP H 0.000 . 5.000 4.598 4.410 4.639 . 0 0 "[ . 1 . 2 .]" 4
304 1 29 CYS HB3 1 30 ASP H 0.000 . 5.000 2.389 1.870 2.893 . 0 0 "[ . 1 . 2 .]" 4
305 1 29 CYS HB2 1 30 ASP H 0.000 . 6.000 3.695 3.049 4.078 . 0 0 "[ . 1 . 2 .]" 4
306 1 30 ASP HA 1 31 GLU H 0.000 . 3.500 3.305 2.829 3.555 0.055 16 0 "[ . 1 . 2 .]" 4
307 1 30 ASP H 1 31 GLU QB 0.000 . 6.000 5.468 4.614 6.050 0.050 3 0 "[ . 1 . 2 .]" 4
308 1 30 ASP HB2 1 31 GLU H 0.000 . 3.500 3.336 2.553 3.499 . 0 0 "[ . 1 . 2 .]" 4
309 1 31 GLU HA 1 32 GLY H 0.000 . 3.500 3.519 3.266 3.569 0.069 15 0 "[ . 1 . 2 .]" 4
310 1 31 GLU QB 1 32 GLY H 0.000 . 3.500 2.240 1.768 3.505 0.005 3 0 "[ . 1 . 2 .]" 4
311 1 32 GLY H 1 33 TYR HA 0.000 . 6.000 4.484 4.154 4.800 . 0 0 "[ . 1 . 2 .]" 4
312 1 32 GLY H 1 33 TYR H 0.000 . 3.500 2.265 1.776 2.789 . 0 0 "[ . 1 . 2 .]" 4
313 1 32 GLY H 1 33 TYR QD 0.000 . 5.000 3.219 1.912 4.105 . 0 0 "[ . 1 . 2 .]" 4
314 1 32 GLY HA3 1 33 TYR H 0.000 . 3.500 3.395 3.206 3.534 0.034 7 0 "[ . 1 . 2 .]" 4
315 1 32 GLY HA2 1 33 TYR H 0.000 . 3.500 3.099 2.815 3.348 . 0 0 "[ . 1 . 2 .]" 4
316 1 33 TYR HA 1 34 GLU H 0.000 . 3.500 2.220 2.128 2.431 . 0 0 "[ . 1 . 2 .]" 4
317 1 33 TYR H 1 34 GLU H 0.000 . 5.000 4.528 4.348 4.609 . 0 0 "[ . 1 . 2 .]" 4
318 1 33 TYR HB2 1 34 GLU H 0.000 . 5.000 4.107 3.683 4.442 . 0 0 "[ . 1 . 2 .]" 4
319 1 33 TYR QD 1 34 GLU H 0.000 . 5.000 4.139 3.714 4.628 . 0 0 "[ . 1 . 2 .]" 4
320 1 34 GLU HA 1 35 SER H 0.000 . 2.800 2.162 2.125 2.261 . 0 0 "[ . 1 . 2 .]" 4
321 1 34 GLU H 1 35 SER H 0.000 . 5.000 4.430 4.205 4.563 . 0 0 "[ . 1 . 2 .]" 4
322 1 34 GLU QB 1 35 SER H 0.000 . 5.000 3.374 2.976 3.698 . 0 0 "[ . 1 . 2 .]" 4
323 1 34 GLU QG 1 35 SER H 0.000 . 3.500 3.437 2.956 3.556 0.056 24 0 "[ . 1 . 2 .]" 4
324 1 35 SER HA 1 36 GLY H 0.000 . 2.800 2.210 2.134 2.369 . 0 0 "[ . 1 . 2 .]" 4
325 1 35 SER H 1 36 GLY H 0.000 . 5.000 4.196 3.974 4.413 . 0 0 "[ . 1 . 2 .]" 4
326 1 35 SER H 1 36 GLY HA2 0.000 . 6.000 5.941 5.512 6.092 0.092 10 0 "[ . 1 . 2 .]" 4
327 1 36 GLY H 1 37 PHE H 0.000 . 3.500 2.680 1.912 3.515 0.015 20 0 "[ . 1 . 2 .]" 4
328 1 36 GLY H 1 37 PHE QB 0.000 . 5.000 4.098 3.533 5.088 0.088 20 0 "[ . 1 . 2 .]" 4
329 1 36 GLY H 1 37 PHE QD 0.000 . 6.000 5.821 5.465 6.026 0.026 19 0 "[ . 1 . 2 .]" 4
330 1 36 GLY HA3 1 37 PHE H 0.000 . 3.500 3.329 2.270 3.554 0.054 2 0 "[ . 1 . 2 .]" 4
331 1 36 GLY HA2 1 37 PHE H 0.000 . 3.500 2.759 2.301 3.532 0.032 21 0 "[ . 1 . 2 .]" 4
332 1 37 PHE HA 1 38 MET H 0.000 . 3.500 3.401 3.163 3.538 0.038 7 0 "[ . 1 . 2 .]" 4
333 1 37 PHE H 1 38 MET H 0.000 . 2.800 2.496 1.945 2.840 0.040 11 0 "[ . 1 . 2 .]" 4
334 1 37 PHE H 1 38 MET QB 0.000 . 6.000 5.151 4.461 5.635 . 0 0 "[ . 1 . 2 .]" 4
335 1 37 PHE HZ 1 38 MET HG2 0.000 . 5.000 4.485 3.308 5.023 0.023 21 0 "[ . 1 . 2 .]" 4
336 1 37 PHE QB 1 38 MET H 0.000 . 5.000 3.128 2.007 3.661 . 0 0 "[ . 1 . 2 .]" 4
337 1 37 PHE QD 1 38 MET H 0.000 . 5.000 3.876 2.050 4.582 . 0 0 "[ . 1 . 2 .]" 4
338 1 37 PHE QD 1 38 MET QB 0.000 . 5.000 4.070 2.134 4.941 . 0 0 "[ . 1 . 2 .]" 4
339 1 37 PHE QD 1 38 MET HG3 0.000 . 5.000 2.896 1.897 4.429 . 0 0 "[ . 1 . 2 .]" 4
340 1 37 PHE QD 1 38 MET HG2 0.000 . 5.000 2.810 1.869 3.998 . 0 0 "[ . 1 . 2 .]" 4
341 1 37 PHE QE 1 38 MET QB 0.000 . 6.000 4.516 2.321 5.198 . 0 0 "[ . 1 . 2 .]" 4
342 1 37 PHE QE 1 38 MET HG3 0.000 . 5.000 4.195 2.829 4.999 . 0 0 "[ . 1 . 2 .]" 4
343 1 37 PHE QE 1 38 MET HG2 0.000 . 5.000 3.239 2.306 4.171 . 0 0 "[ . 1 . 2 .]" 4
344 1 38 MET H 1 39 MET H 0.000 . 3.500 2.121 1.832 2.600 . 0 0 "[ . 1 . 2 .]" 4
345 1 38 MET H 1 39 MET QB 0.000 . 5.000 4.449 3.909 5.086 0.086 5 0 "[ . 1 . 2 .]" 4
346 1 38 MET H 1 39 MET HG3 0.000 . 6.000 4.803 3.166 5.932 . 0 0 "[ . 1 . 2 .]" 4
347 1 38 MET QB 1 39 MET H 0.000 . 5.000 3.369 2.756 3.735 . 0 0 "[ . 1 . 2 .]" 4
348 1 38 MET QG 1 39 MET H 0.000 . 5.000 2.700 2.005 3.983 . 0 0 "[ . 1 . 2 .]" 4
349 1 39 MET HA 1 40 MET H 0.000 . 3.500 3.425 2.811 3.535 0.035 11 0 "[ . 1 . 2 .]" 4
350 1 40 MET HA 1 41 LYS H 0.000 . 3.500 3.442 2.848 3.560 0.060 21 0 "[ . 1 . 2 .]" 4
351 1 40 MET H 1 41 LYS H 0.000 . 5.000 2.575 1.871 3.236 . 0 0 "[ . 1 . 2 .]" 4
352 1 40 MET H 1 41 LYS QB 0.000 . 5.000 4.741 4.323 5.048 0.048 2 0 "[ . 1 . 2 .]" 4
353 1 40 MET H 1 41 LYS QD 0.000 . 6.000 5.594 4.431 6.039 0.039 14 0 "[ . 1 . 2 .]" 4
354 1 40 MET H 1 41 LYS QG 0.000 . 6.000 5.769 4.996 6.096 0.096 10 0 "[ . 1 . 2 .]" 4
355 1 40 MET QB 1 41 LYS H 0.000 . 5.000 2.834 1.792 4.009 . 0 0 "[ . 1 . 2 .]" 4
356 1 40 MET HG3 1 41 LYS H 0.000 . 5.000 3.603 1.992 5.042 0.042 15 0 "[ . 1 . 2 .]" 4
357 1 40 MET HG2 1 41 LYS H 0.000 . 5.000 3.460 1.954 4.724 . 0 0 "[ . 1 . 2 .]" 4
358 1 41 LYS HA 1 42 ASN H 0.000 . 3.500 2.676 2.139 3.524 0.024 13 0 "[ . 1 . 2 .]" 4
359 1 41 LYS H 1 42 ASN H 0.000 . 3.500 2.707 1.789 3.557 0.057 21 0 "[ . 1 . 2 .]" 4
360 1 41 LYS QB 1 42 ASN H 0.000 . 5.000 3.621 1.729 4.039 . 0 0 "[ . 1 . 2 .]" 4
361 1 41 LYS QD 1 42 ASN H 0.000 . 6.000 4.297 2.641 5.436 . 0 0 "[ . 1 . 2 .]" 4
362 1 41 LYS QG 1 42 ASN HD21 0.000 . 6.000 5.795 5.213 6.088 0.088 15 0 "[ . 1 . 2 .]" 4
363 1 42 ASN H 1 43 CYS H 0.000 . 5.000 3.545 1.942 4.624 . 0 0 "[ . 1 . 2 .]" 4
364 1 42 ASN HD21 1 43 CYS H 0.000 . 6.000 4.048 3.017 4.849 . 0 0 "[ . 1 . 2 .]" 4
365 1 43 CYS HA 1 44 MET H 0.000 . 2.800 2.153 2.102 2.182 . 0 0 "[ . 1 . 2 .]" 4
366 1 43 CYS H 1 44 MET H 0.000 . 5.000 4.188 3.740 4.494 . 0 0 "[ . 1 . 2 .]" 4
367 1 43 CYS H 1 44 MET QG 0.000 . 5.000 4.966 4.558 5.100 0.100 4 0 "[ . 1 . 2 .]" 4
368 1 43 CYS QB 1 44 MET H 0.000 . 5.000 3.611 3.369 3.906 . 0 0 "[ . 1 . 2 .]" 4
369 1 44 MET HA 1 45 ASP H 0.000 . 3.500 2.151 2.112 2.275 . 0 0 "[ . 1 . 2 .]" 4
370 1 44 MET H 1 45 ASP H 0.000 . 5.000 4.030 3.497 4.345 . 0 0 "[ . 1 . 2 .]" 4
371 1 45 ASP HA 1 46 ILE H 0.000 . 3.500 2.125 2.084 2.213 . 0 0 "[ . 1 . 2 .]" 4
372 1 45 ASP H 1 46 ILE H 0.000 . 5.000 4.247 3.824 4.511 . 0 0 "[ . 1 . 2 .]" 4
373 1 45 ASP HB3 1 46 ILE H 0.000 . 5.000 4.426 4.204 4.530 . 0 0 "[ . 1 . 2 .]" 4
374 1 45 ASP HB2 1 46 ILE H 0.000 . 5.000 3.598 3.059 3.976 . 0 0 "[ . 1 . 2 .]" 4
375 1 46 ILE HA 1 47 ASP H 0.000 . 3.500 2.612 2.317 2.699 . 0 0 "[ . 1 . 2 .]" 4
376 1 46 ILE H 1 47 ASP H 0.000 . 5.000 4.541 4.469 4.626 . 0 0 "[ . 1 . 2 .]" 4
377 1 46 ILE MD 1 47 ASP H 0.000 . 5.000 3.352 1.786 3.619 . 0 0 "[ . 1 . 2 .]" 4
378 1 47 ASP HA 1 48 GLU H 0.000 . 2.800 2.408 2.362 2.438 . 0 0 "[ . 1 . 2 .]" 4
379 1 47 ASP H 1 48 GLU H 0.000 . 5.000 3.717 3.600 3.821 . 0 0 "[ . 1 . 2 .]" 4
380 1 47 ASP HB3 1 48 GLU H 0.000 . 5.000 4.464 4.437 4.490 . 0 0 "[ . 1 . 2 .]" 4
381 1 47 ASP HB2 1 48 GLU H 0.000 . 5.000 4.641 4.608 4.657 . 0 0 "[ . 1 . 2 .]" 4
382 1 48 GLU HA 1 49 CYS H 0.000 . 5.000 3.446 3.421 3.494 . 0 0 "[ . 1 . 2 .]" 4
383 1 48 GLU H 1 49 CYS HA 0.000 . 6.000 5.342 5.281 5.406 . 0 0 "[ . 1 . 2 .]" 4
384 1 48 GLU H 1 49 CYS H 0.000 . 3.500 2.770 2.698 2.839 . 0 0 "[ . 1 . 2 .]" 4
385 1 48 GLU H 1 49 CYS QB 0.000 . 5.000 4.633 4.354 5.002 0.002 1 0 "[ . 1 . 2 .]" 4
386 1 48 GLU HB2 1 49 CYS H 0.000 . 3.500 3.056 2.889 3.145 . 0 0 "[ . 1 . 2 .]" 4
387 1 48 GLU HG3 1 49 CYS H 0.000 . 6.000 4.932 4.760 5.063 . 0 0 "[ . 1 . 2 .]" 4
388 1 48 GLU HG2 1 49 CYS H 0.000 . 6.000 5.430 5.280 5.493 . 0 0 "[ . 1 . 2 .]" 4
389 1 49 CYS HA 1 50 GLN H 0.000 . 3.500 3.344 3.327 3.381 . 0 0 "[ . 1 . 2 .]" 4
390 1 49 CYS H 1 50 GLN HA 0.000 . 6.000 5.117 5.081 5.176 . 0 0 "[ . 1 . 2 .]" 4
391 1 49 CYS H 1 50 GLN H 0.000 . 3.500 2.479 2.437 2.548 . 0 0 "[ . 1 . 2 .]" 4
392 1 49 CYS H 1 50 GLN HG3 0.000 . 5.000 5.014 5.007 5.021 0.021 3 0 "[ . 1 . 2 .]" 4
393 1 49 CYS QB 1 50 GLN H 0.000 . 3.500 3.220 3.075 3.289 . 0 0 "[ . 1 . 2 .]" 4
394 1 50 GLN H 1 51 ARG H 0.000 . 3.500 1.876 1.849 2.014 . 0 0 "[ . 1 . 2 .]" 4
395 1 50 GLN H 1 51 ARG HB3 0.000 . 5.000 3.979 3.874 4.083 . 0 0 "[ . 1 . 2 .]" 4
396 1 50 GLN HB2 1 51 ARG H 0.000 . 3.500 3.150 2.996 3.287 . 0 0 "[ . 1 . 2 .]" 4
397 1 50 GLN HG3 1 51 ARG H 0.000 . 5.000 4.973 4.861 5.015 0.015 23 0 "[ . 1 . 2 .]" 4
398 1 50 GLN HG2 1 51 ARG H 0.000 . 5.000 5.027 5.009 5.065 0.065 7 0 "[ . 1 . 2 .]" 4
399 1 51 ARG HA 1 52 ASP H 0.000 . 3.500 3.495 3.432 3.557 0.057 12 0 "[ . 1 . 2 .]" 4
400 1 51 ARG H 1 52 ASP HA 0.000 . 6.000 5.345 5.283 5.492 . 0 0 "[ . 1 . 2 .]" 4
401 1 51 ARG HD2 1 52 ASP H 0.000 . 5.000 5.010 5.004 5.019 0.019 15 0 "[ . 1 . 2 .]" 4
402 1 52 ASP HA 1 53 PRO HD3 0.000 . 3.500 2.023 1.846 2.141 . 0 0 "[ . 1 . 2 .]" 4
403 1 52 ASP HA 1 53 PRO HD2 0.000 . 3.500 2.510 2.238 3.043 . 0 0 "[ . 1 . 2 .]" 4
404 1 52 ASP HA 1 53 PRO HG2 0.000 . 5.000 4.484 4.360 4.627 . 0 0 "[ . 1 . 2 .]" 4
405 1 52 ASP H 1 53 PRO HA 0.000 . 6.000 5.066 4.958 5.332 . 0 0 "[ . 1 . 2 .]" 4
406 1 52 ASP H 1 53 PRO HD3 0.000 . 6.000 4.655 4.295 4.725 . 0 0 "[ . 1 . 2 .]" 4
407 1 52 ASP H 1 53 PRO QG 0.000 . 6.000 6.015 5.491 6.078 0.078 25 0 "[ . 1 . 2 .]" 4
408 1 53 PRO HB2 1 54 LEU H 0.000 . 5.000 3.858 3.402 4.003 . 0 0 "[ . 1 . 2 .]" 4
409 1 53 PRO HD3 1 54 LEU H 0.000 . 5.000 3.696 3.482 3.845 . 0 0 "[ . 1 . 2 .]" 4
410 1 54 LEU HA 1 55 LEU H 0.000 . 3.500 3.302 3.105 3.395 . 0 0 "[ . 1 . 2 .]" 4
411 1 54 LEU H 1 55 LEU H 0.000 . 2.800 1.921 1.812 2.029 . 0 0 "[ . 1 . 2 .]" 4
412 1 54 LEU H 1 55 LEU HB3 0.000 . 6.000 4.706 4.581 4.826 . 0 0 "[ . 1 . 2 .]" 4
413 1 54 LEU H 1 55 LEU MD1 0.000 . 5.000 4.950 4.820 5.022 0.022 5 0 "[ . 1 . 2 .]" 4
414 1 54 LEU H 1 55 LEU MD2 0.000 . 6.000 5.923 5.845 6.015 0.015 5 0 "[ . 1 . 2 .]" 4
415 1 54 LEU MD1 1 55 LEU H 0.000 . 6.000 4.659 3.861 5.224 . 0 0 "[ . 1 . 2 .]" 4
416 1 54 LEU MD2 1 55 LEU H 0.000 . 5.000 4.657 4.238 5.066 0.066 6 0 "[ . 1 . 2 .]" 4
417 1 55 LEU HA 1 56 CYS H 0.000 . 3.500 2.136 2.121 2.168 . 0 0 "[ . 1 . 2 .]" 4
418 1 55 LEU H 1 56 CYS H 0.000 . 5.000 4.469 4.402 4.551 . 0 0 "[ . 1 . 2 .]" 4
419 1 55 LEU HB3 1 56 CYS H 0.000 . 5.000 4.073 3.919 4.158 . 0 0 "[ . 1 . 2 .]" 4
420 1 55 LEU MD1 1 56 CYS H 0.000 . 5.000 4.532 4.126 4.753 . 0 0 "[ . 1 . 2 .]" 4
421 1 55 LEU MD2 1 56 CYS H 0.000 . 5.000 3.590 3.299 3.812 . 0 0 "[ . 1 . 2 .]" 4
422 1 56 CYS H 1 57 ARG H 0.000 . 3.500 2.731 2.641 2.878 . 0 0 "[ . 1 . 2 .]" 4
423 1 56 CYS H 1 57 ARG HB2 0.000 . 6.000 4.698 4.603 4.824 . 0 0 "[ . 1 . 2 .]" 4
424 1 56 CYS QB 1 57 ARG H 0.000 . 5.000 3.730 3.642 3.816 . 0 0 "[ . 1 . 2 .]" 4
425 1 57 ARG HA 1 58 GLY H 0.000 . 3.500 3.233 2.264 3.523 0.023 17 0 "[ . 1 . 2 .]" 4
426 1 57 ARG H 1 58 GLY H 0.000 . 5.000 3.065 2.694 4.110 . 0 0 "[ . 1 . 2 .]" 4
427 1 57 ARG HB2 1 58 GLY H 0.000 . 5.000 4.005 3.441 4.646 . 0 0 "[ . 1 . 2 .]" 4
428 1 57 ARG QD 1 58 GLY H 0.000 . 5.000 4.302 3.985 4.861 . 0 0 "[ . 1 . 2 .]" 4
429 1 58 GLY H 1 59 GLY H 0.000 . 3.500 2.170 1.860 2.468 . 0 0 "[ . 1 . 2 .]" 4
430 1 58 GLY HA3 1 59 GLY H 0.000 . 5.000 3.350 3.010 3.500 . 0 0 "[ . 1 . 2 .]" 4
431 1 58 GLY HA2 1 59 GLY H 0.000 . 5.000 3.147 2.946 3.462 . 0 0 "[ . 1 . 2 .]" 4
432 1 59 GLY H 1 60 VAL H 0.000 . 5.000 3.867 3.209 4.247 . 0 0 "[ . 1 . 2 .]" 4
433 1 59 GLY HA3 1 60 VAL H 0.000 . 2.800 2.173 2.126 2.315 . 0 0 "[ . 1 . 2 .]" 4
434 1 59 GLY HA2 1 60 VAL H 0.000 . 3.500 3.141 2.845 3.453 . 0 0 "[ . 1 . 2 .]" 4
435 1 59 GLY HA2 1 60 VAL MG2 0.000 . 5.000 3.544 3.317 3.701 . 0 0 "[ . 1 . 2 .]" 4
436 1 60 VAL HB 1 61 CYS H 0.000 . 5.000 4.221 4.107 4.392 . 0 0 "[ . 1 . 2 .]" 4
437 1 60 VAL H 1 61 CYS HA 0.000 . 6.000 4.730 4.576 4.943 . 0 0 "[ . 1 . 2 .]" 4
438 1 60 VAL H 1 61 CYS H 0.000 . 5.000 4.294 4.099 4.413 . 0 0 "[ . 1 . 2 .]" 4
439 1 60 VAL MG1 1 61 CYS H 0.000 . 3.500 2.548 2.313 2.926 . 0 0 "[ . 1 . 2 .]" 4
440 1 60 VAL MG2 1 61 CYS H 0.000 . 5.000 3.846 3.735 4.067 . 0 0 "[ . 1 . 2 .]" 4
441 1 61 CYS HA 1 62 HIS H 0.000 . 2.800 2.199 2.147 2.269 . 0 0 "[ . 1 . 2 .]" 4
442 1 61 CYS H 1 62 HIS H 0.000 . 5.000 4.105 3.993 4.264 . 0 0 "[ . 1 . 2 .]" 4
443 1 61 CYS HB3 1 62 HIS H 0.000 . 5.000 4.414 3.982 4.599 . 0 0 "[ . 1 . 2 .]" 4
444 1 62 HIS H 1 63 ASN H 0.000 . 3.500 3.487 3.245 3.568 0.068 18 0 "[ . 1 . 2 .]" 4
445 1 63 ASN HA 1 64 THR H 0.000 . 2.800 2.136 2.127 2.148 . 0 0 "[ . 1 . 2 .]" 4
446 1 63 ASN HA 1 64 THR MG 0.000 . 5.000 3.359 3.188 3.544 . 0 0 "[ . 1 . 2 .]" 4
447 1 63 ASN H 1 64 THR H 0.000 . 5.000 4.427 4.367 4.496 . 0 0 "[ . 1 . 2 .]" 4
448 1 63 ASN H 1 64 THR MG 0.000 . 6.000 4.443 4.362 4.615 . 0 0 "[ . 1 . 2 .]" 4
449 1 63 ASN HB3 1 64 THR H 0.000 . 5.000 4.403 4.328 4.471 . 0 0 "[ . 1 . 2 .]" 4
450 1 64 THR HA 1 65 GLU HA 0.000 . 5.000 4.335 4.293 4.367 . 0 0 "[ . 1 . 2 .]" 4
451 1 64 THR HA 1 65 GLU H 0.000 . 2.800 2.730 2.506 2.816 0.016 23 0 "[ . 1 . 2 .]" 4
452 1 64 THR HA 1 65 GLU HB3 0.000 . 6.000 5.476 4.430 6.017 0.017 15 0 "[ . 1 . 2 .]" 4
453 1 64 THR HB 1 65 GLU H 0.000 . 6.000 2.291 2.001 3.025 . 0 0 "[ . 1 . 2 .]" 4
454 1 64 THR H 1 65 GLU H 0.000 . 5.000 4.352 4.280 4.467 . 0 0 "[ . 1 . 2 .]" 4
455 1 64 THR MG 1 65 GLU HA 0.000 . 6.000 5.520 5.167 5.651 . 0 0 "[ . 1 . 2 .]" 4
456 1 64 THR MG 1 65 GLU H 0.000 . 6.000 3.728 3.635 3.951 . 0 0 "[ . 1 . 2 .]" 4
457 1 65 GLU HA 1 66 GLY H 0.000 . 3.500 2.282 2.140 3.476 . 0 0 "[ . 1 . 2 .]" 4
458 1 65 GLU H 1 66 GLY H 0.000 . 6.000 4.481 3.621 4.614 . 0 0 "[ . 1 . 2 .]" 4
459 1 65 GLU HB3 1 66 GLY H 0.000 . 5.000 3.607 1.883 4.474 . 0 0 "[ . 1 . 2 .]" 4
460 1 65 GLU HB2 1 66 GLY H 0.000 . 5.000 3.837 1.940 4.540 . 0 0 "[ . 1 . 2 .]" 4
461 1 65 GLU QG 1 66 GLY H 0.000 . 5.000 3.434 1.827 3.814 . 0 0 "[ . 1 . 2 .]" 4
462 1 66 GLY H 1 67 SER H 0.000 . 3.500 2.911 2.494 3.491 . 0 0 "[ . 1 . 2 .]" 4
463 1 66 GLY HA3 1 67 SER H 0.000 . 3.500 3.505 3.437 3.556 0.056 5 0 "[ . 1 . 2 .]" 4
464 1 67 SER HA 1 68 TYR H 0.000 . 3.500 2.598 2.339 2.825 . 0 0 "[ . 1 . 2 .]" 4
465 1 67 SER HA 1 68 TYR QD 0.000 . 6.000 3.691 2.679 4.169 . 0 0 "[ . 1 . 2 .]" 4
466 1 67 SER H 1 68 TYR HA 0.000 . 5.000 4.719 4.641 4.801 . 0 0 "[ . 1 . 2 .]" 4
467 1 67 SER H 1 68 TYR H 0.000 . 5.000 4.348 4.258 4.385 . 0 0 "[ . 1 . 2 .]" 4
468 1 67 SER HB3 1 68 TYR H 0.000 . 3.500 2.904 2.217 3.505 0.005 24 0 "[ . 1 . 2 .]" 4
469 1 68 TYR HA 1 69 ARG H 0.000 . 2.800 2.263 2.192 2.405 . 0 0 "[ . 1 . 2 .]" 4
470 1 68 TYR HA 1 69 ARG QB 0.000 . 5.000 4.695 4.631 4.738 . 0 0 "[ . 1 . 2 .]" 4
471 1 68 TYR HA 1 69 ARG QG 0.000 . 5.000 3.140 2.998 3.426 . 0 0 "[ . 1 . 2 .]" 4
472 1 68 TYR H 1 69 ARG H 0.000 . 5.000 4.334 4.158 4.418 . 0 0 "[ . 1 . 2 .]" 4
473 1 68 TYR H 1 69 ARG QB 0.000 . 6.000 5.740 5.488 5.895 . 0 0 "[ . 1 . 2 .]" 4
474 1 68 TYR H 1 69 ARG QD 0.000 . 6.000 4.196 3.541 6.059 0.059 16 0 "[ . 1 . 2 .]" 4
475 1 68 TYR HB3 1 69 ARG H 0.000 . 5.000 4.141 3.657 4.309 . 0 0 "[ . 1 . 2 .]" 4
476 1 68 TYR HB2 1 69 ARG H 0.000 . 5.000 2.923 2.325 3.194 . 0 0 "[ . 1 . 2 .]" 4
477 1 69 ARG HA 1 70 CYS H 0.000 . 2.800 2.180 2.122 2.343 . 0 0 "[ . 1 . 2 .]" 4
478 1 69 ARG H 1 70 CYS HA 0.000 . 5.000 4.951 4.726 5.056 0.056 5 0 "[ . 1 . 2 .]" 4
479 1 69 ARG H 1 70 CYS H 0.000 . 5.000 4.346 4.112 4.521 . 0 0 "[ . 1 . 2 .]" 4
480 1 69 ARG QD 1 70 CYS H 0.000 . 5.000 4.673 4.135 5.025 0.025 11 0 "[ . 1 . 2 .]" 4
481 1 70 CYS HA 1 71 GLU H 0.000 . 2.800 2.189 2.106 2.259 . 0 0 "[ . 1 . 2 .]" 4
482 1 70 CYS H 1 71 GLU H 0.000 . 5.000 4.457 4.303 4.560 . 0 0 "[ . 1 . 2 .]" 4
483 1 70 CYS QB 1 71 GLU H 0.000 . 5.000 3.528 3.254 3.697 . 0 0 "[ . 1 . 2 .]" 4
484 1 71 GLU HA 1 72 CYS H 0.000 . 2.800 2.156 2.142 2.219 . 0 0 "[ . 1 . 2 .]" 4
485 1 71 GLU H 1 72 CYS H 0.000 . 5.000 4.225 4.076 4.504 . 0 0 "[ . 1 . 2 .]" 4
486 1 71 GLU HB3 1 72 CYS H 0.000 . 5.000 3.915 3.295 4.426 . 0 0 "[ . 1 . 2 .]" 4
487 1 71 GLU HG2 1 72 CYS H 0.000 . 6.000 3.767 3.032 4.910 . 0 0 "[ . 1 . 2 .]" 4
488 1 72 CYS HA 1 73 PRO HA 0.000 . 5.000 3.673 3.508 3.721 . 0 0 "[ . 1 . 2 .]" 4
489 1 73 PRO HA 1 74 PRO HG3 0.000 . 6.000 4.778 4.500 5.703 . 0 0 "[ . 1 . 2 .]" 4
490 1 76 HIS HA 1 77 GLN H 0.000 . 3.500 3.164 2.699 3.320 . 0 0 "[ . 1 . 2 .]" 4
491 1 76 HIS H 1 77 GLN H 0.000 . 5.000 3.954 3.763 4.363 . 0 0 "[ . 1 . 2 .]" 4
492 1 76 HIS QB 1 77 GLN H 0.000 . 3.500 1.774 1.632 1.861 . 0 0 "[ . 1 . 2 .]" 4
493 1 76 HIS HE1 1 77 GLN H 0.000 . 5.000 4.893 4.599 5.097 0.097 22 0 "[ . 1 . 2 .]" 4
494 1 77 GLN HA 1 78 LEU H 0.000 . 3.500 2.431 2.219 2.538 . 0 0 "[ . 1 . 2 .]" 4
495 1 77 GLN H 1 78 LEU H 0.000 . 5.000 3.127 2.819 3.842 . 0 0 "[ . 1 . 2 .]" 4
496 1 77 GLN H 1 78 LEU HB2 0.000 . 6.000 4.345 3.954 5.302 . 0 0 "[ . 1 . 2 .]" 4
497 1 77 GLN HB3 1 78 LEU H 0.000 . 5.000 4.347 4.245 4.536 . 0 0 "[ . 1 . 2 .]" 4
498 1 77 GLN HB2 1 78 LEU H 0.000 . 5.000 4.582 4.371 4.682 . 0 0 "[ . 1 . 2 .]" 4
499 1 77 GLN QG 1 78 LEU H 0.000 . 5.000 4.162 3.437 4.512 . 0 0 "[ . 1 . 2 .]" 4
500 1 78 LEU HA 1 79 SER H 0.000 . 3.500 2.135 2.083 2.222 . 0 0 "[ . 1 . 2 .]" 4
501 1 78 LEU HG 1 79 SER H 0.000 . 6.000 4.120 3.765 4.695 . 0 0 "[ . 1 . 2 .]" 4
502 1 78 LEU H 1 79 SER H 0.000 . 5.000 4.386 4.114 4.507 . 0 0 "[ . 1 . 2 .]" 4
503 1 78 LEU HB2 1 79 SER H 0.000 . 5.000 4.282 4.107 4.520 . 0 0 "[ . 1 . 2 .]" 4
504 1 81 ASN HA 1 82 ILE H 0.000 . 5.000 3.016 2.789 3.298 . 0 0 "[ . 1 . 2 .]" 4
505 1 81 ASN HD21 1 82 ILE MD 0.000 . 6.000 5.167 4.891 5.339 . 0 0 "[ . 1 . 2 .]" 4
506 1 81 ASN HD22 1 82 ILE MD 0.000 . 6.000 6.007 5.743 6.061 0.061 9 0 "[ . 1 . 2 .]" 4
507 1 82 ILE HA 1 83 SER H 0.000 . 3.500 3.432 3.356 3.530 0.030 7 0 "[ . 1 . 2 .]" 4
508 1 82 ILE H 1 83 SER H 0.000 . 5.000 2.167 1.903 2.408 . 0 0 "[ . 1 . 2 .]" 4
509 1 82 ILE MD 1 83 SER H 0.000 . 6.000 3.685 3.387 3.979 . 0 0 "[ . 1 . 2 .]" 4
510 1 82 ILE MG 1 83 SER H 0.000 . 5.000 3.808 3.305 4.227 . 0 0 "[ . 1 . 2 .]" 4
511 1 83 SER H 1 84 ALA H 0.000 . 5.000 3.202 2.767 3.560 . 0 0 "[ . 1 . 2 .]" 4
512 1 83 SER HB3 1 84 ALA H 0.000 . 6.000 4.464 4.043 4.689 . 0 0 "[ . 1 . 2 .]" 4
513 1 84 ALA H 1 85 CYS H 0.000 . 5.000 3.333 2.733 3.915 . 0 0 "[ . 1 . 2 .]" 4
514 1 84 ALA MB 1 85 CYS H 0.000 . 5.000 3.461 2.966 3.689 . 0 0 "[ . 1 . 2 .]" 4
515 1 85 CYS HA 1 86 ILE H 0.000 . 3.500 2.304 2.161 2.406 . 0 0 "[ . 1 . 2 .]" 4
516 1 85 CYS HB3 1 86 ILE H 0.000 . 5.000 3.291 2.767 4.048 . 0 0 "[ . 1 . 2 .]" 4
517 1 85 CYS HB2 1 86 ILE H 0.000 . 5.000 4.182 3.838 4.444 . 0 0 "[ . 1 . 2 .]" 4
518 1 3 ILE HA 1 5 GLU H 0.000 . 6.000 5.074 4.595 5.713 . 0 0 "[ . 1 . 2 .]" 4
519 1 3 ILE H 1 5 GLU H 0.000 . 6.000 5.366 4.351 6.043 0.043 14 0 "[ . 1 . 2 .]" 4
520 1 3 ILE MG 1 5 GLU HG3 0.000 . 5.000 2.574 1.767 3.779 . 0 0 "[ . 1 . 2 .]" 4
521 1 3 ILE MG 1 5 GLU HG2 0.000 . 5.000 3.907 2.989 5.061 0.061 22 0 "[ . 1 . 2 .]" 4
522 1 4 ASP HB3 1 6 CYS H 0.000 . 5.000 4.360 4.155 4.704 . 0 0 "[ . 1 . 2 .]" 4
523 1 4 ASP HB3 1 8 ILE H 0.000 . 5.000 4.366 3.770 4.635 . 0 0 "[ . 1 . 2 .]" 4
524 1 4 ASP HB2 1 6 CYS H 0.000 . 5.000 4.975 4.795 5.047 0.047 7 0 "[ . 1 . 2 .]" 4
525 1 4 ASP HB2 1 8 ILE H 0.000 . 6.000 5.927 5.239 6.035 0.035 10 0 "[ . 1 . 2 .]" 4
526 1 5 GLU HA 1 8 ILE HB 0.000 . 5.000 3.677 3.251 4.029 . 0 0 "[ . 1 . 2 .]" 4
527 1 5 GLU HA 1 8 ILE H 0.000 . 3.500 3.524 3.456 3.555 0.055 7 0 "[ . 1 . 2 .]" 4
528 1 5 GLU HA 1 8 ILE HG12 0.000 . 5.000 2.914 2.366 4.400 . 0 0 "[ . 1 . 2 .]" 4
529 1 5 GLU HA 1 8 ILE MG 0.000 . 5.000 4.593 4.108 4.962 . 0 0 "[ . 1 . 2 .]" 4
530 1 5 GLU H 1 8 ILE HG12 0.000 . 6.000 4.516 2.442 6.006 0.006 21 0 "[ . 1 . 2 .]" 4
531 1 5 GLU HB3 1 8 ILE HG13 0.000 . 5.000 4.305 3.744 5.009 0.009 16 0 "[ . 1 . 2 .]" 4
532 1 6 CYS HA 1 8 ILE H 0.000 . 5.000 3.992 3.754 4.153 . 0 0 "[ . 1 . 2 .]" 4
533 1 6 CYS H 1 8 ILE HB 0.000 . 6.000 5.178 4.877 5.568 . 0 0 "[ . 1 . 2 .]" 4
534 1 6 CYS H 1 8 ILE H 0.000 . 5.000 4.028 3.664 4.341 . 0 0 "[ . 1 . 2 .]" 4
535 1 6 CYS H 1 9 SER H 0.000 . 6.000 5.599 5.250 5.820 . 0 0 "[ . 1 . 2 .]" 4
536 1 6 CYS QB 1 8 ILE H 0.000 . 5.000 4.642 4.332 4.967 . 0 0 "[ . 1 . 2 .]" 4
537 1 8 ILE HB 1 12 LEU HA 0.000 . 6.000 5.736 5.388 6.018 0.018 9 0 "[ . 1 . 2 .]" 4
538 1 8 ILE MG 1 11 ASP H 0.000 . 6.000 6.055 6.034 6.077 0.077 18 0 "[ . 1 . 2 .]" 4
539 1 8 ILE MG 1 12 LEU H 0.000 . 6.000 5.633 5.455 5.753 . 0 0 "[ . 1 . 2 .]" 4
540 1 9 SER QB 1 12 LEU HG 0.000 . 3.500 2.719 2.020 3.240 . 0 0 "[ . 1 . 2 .]" 4
541 1 9 SER QB 1 12 LEU HB2 0.000 . 3.500 3.429 3.070 3.512 0.012 22 0 "[ . 1 . 2 .]" 4
542 1 9 SER QB 1 12 LEU MD1 0.000 . 3.500 2.735 1.954 3.124 . 0 0 "[ . 1 . 2 .]" 4
543 1 9 SER QB 1 12 LEU MD2 0.000 . 5.000 4.111 3.600 4.493 . 0 0 "[ . 1 . 2 .]" 4
544 1 9 SER HB3 1 12 LEU HA 0.000 . 5.000 3.023 2.485 3.502 . 0 0 "[ . 1 . 2 .]" 4
545 1 10 PRO HA 1 12 LEU MD1 0.000 . 5.000 4.706 4.299 5.017 0.017 2 0 "[ . 1 . 2 .]" 4
546 1 10 PRO HB2 1 12 LEU H 0.000 . 5.000 5.029 4.935 5.058 0.058 15 0 "[ . 1 . 2 .]" 4
547 1 10 PRO HD3 1 12 LEU H 0.000 . 5.000 5.071 5.042 5.108 0.108 9 0 "[ . 1 . 2 .]" 4
548 1 11 ASP HA 1 13 CYS H 0.000 . 5.000 3.725 3.337 4.063 . 0 0 "[ . 1 . 2 .]" 4
549 1 11 ASP HA 1 14 GLY H 0.000 . 5.000 3.477 2.835 4.094 . 0 0 "[ . 1 . 2 .]" 4
550 1 11 ASP H 1 13 CYS H 0.000 . 6.000 5.141 4.911 5.388 . 0 0 "[ . 1 . 2 .]" 4
551 1 12 LEU HA 1 14 GLY H 0.000 . 5.000 3.770 3.546 4.432 . 0 0 "[ . 1 . 2 .]" 4
552 1 12 LEU H 1 14 GLY H 0.000 . 5.000 4.004 3.842 4.399 . 0 0 "[ . 1 . 2 .]" 4
553 1 12 LEU HB2 1 14 GLY H 0.000 . 5.000 4.960 4.688 5.100 0.100 11 0 "[ . 1 . 2 .]" 4
554 1 13 CYS H 1 15 ARG H 0.000 . 5.000 3.913 3.275 4.977 . 0 0 "[ . 1 . 2 .]" 4
555 1 13 CYS H 1 16 GLY H 0.000 . 5.000 4.746 4.147 5.024 0.024 4 0 "[ . 1 . 2 .]" 4
556 1 13 CYS HB2 1 17 GLN H 0.000 . 6.000 3.871 3.365 5.151 . 0 0 "[ . 1 . 2 .]" 4
557 1 14 GLY HA3 1 16 GLY H 0.000 . 5.000 4.788 4.340 5.068 0.068 7 0 "[ . 1 . 2 .]" 4
558 1 20 ASN HD22 1 24 ASP H 0.000 . 6.000 5.490 5.069 6.027 0.027 14 0 "[ . 1 . 2 .]" 4
559 1 21 THR H 1 24 ASP H 0.000 . 5.000 3.859 3.652 4.064 . 0 0 "[ . 1 . 2 .]" 4
560 1 21 THR H 1 25 PHE HA 0.000 . 3.500 2.787 2.462 3.042 . 0 0 "[ . 1 . 2 .]" 4
561 1 21 THR H 1 25 PHE H 0.000 . 5.000 4.861 4.644 5.008 0.008 14 0 "[ . 1 . 2 .]" 4
562 1 21 THR H 1 25 PHE HB3 0.000 . 5.000 3.653 3.349 3.803 . 0 0 "[ . 1 . 2 .]" 4
563 1 21 THR H 1 25 PHE HB2 0.000 . 5.000 3.886 3.409 4.150 . 0 0 "[ . 1 . 2 .]" 4
564 1 21 THR H 1 25 PHE QD 0.000 . 6.000 5.323 5.064 5.448 . 0 0 "[ . 1 . 2 .]" 4
565 1 21 THR MG 1 24 ASP H 0.000 . 5.000 4.943 4.715 5.048 0.048 4 0 "[ . 1 . 2 .]" 4
566 1 21 THR MG 1 25 PHE HA 0.000 . 3.500 1.850 1.813 2.002 . 0 0 "[ . 1 . 2 .]" 4
567 1 21 THR MG 1 25 PHE H 0.000 . 5.000 3.710 3.515 3.955 . 0 0 "[ . 1 . 2 .]" 4
568 1 22 PRO HB3 1 24 ASP H 0.000 . 6.000 5.987 5.894 6.026 0.026 24 0 "[ . 1 . 2 .]" 4
569 1 22 PRO HB2 1 24 ASP H 0.000 . 6.000 5.427 5.340 5.471 . 0 0 "[ . 1 . 2 .]" 4
570 1 22 PRO HD3 1 24 ASP H 0.000 . 6.000 5.991 5.911 6.028 0.028 2 0 "[ . 1 . 2 .]" 4
571 1 24 ASP HB3 1 26 GLU H 0.000 . 6.000 5.509 5.196 5.956 . 0 0 "[ . 1 . 2 .]" 4
572 1 25 PHE QD 1 27 CYS H 0.000 . 6.000 5.127 4.646 5.330 . 0 0 "[ . 1 . 2 .]" 4
573 1 25 PHE QE 1 27 CYS H 0.000 . 6.000 5.791 4.730 6.017 0.017 3 0 "[ . 1 . 2 .]" 4
574 1 29 CYS HA 1 33 TYR HB2 0.000 . 5.000 3.777 3.261 4.293 . 0 0 "[ . 1 . 2 .]" 4
575 1 29 CYS H 1 33 TYR HB2 0.000 . 6.000 5.605 5.222 6.025 0.025 4 0 "[ . 1 . 2 .]" 4
576 1 29 CYS HB3 1 33 TYR H 0.000 . 5.000 3.285 2.679 3.963 . 0 0 "[ . 1 . 2 .]" 4
577 1 29 CYS HB3 1 33 TYR HB2 0.000 . 5.000 2.379 1.858 3.034 . 0 0 "[ . 1 . 2 .]" 4
578 1 29 CYS HB3 1 33 TYR QD 0.000 . 5.000 4.352 3.827 5.044 0.044 6 0 "[ . 1 . 2 .]" 4
579 1 30 ASP H 1 33 TYR HB3 0.000 . 5.000 3.943 3.539 4.415 . 0 0 "[ . 1 . 2 .]" 4
580 1 30 ASP H 1 33 TYR HB2 0.000 . 5.000 2.453 2.010 2.792 . 0 0 "[ . 1 . 2 .]" 4
581 1 30 ASP H 1 33 TYR QD 0.000 . 5.000 3.442 2.495 4.206 . 0 0 "[ . 1 . 2 .]" 4
582 1 30 ASP HB3 1 33 TYR QD 0.000 . 3.500 3.167 2.114 3.528 0.028 24 0 "[ . 1 . 2 .]" 4
583 1 30 ASP HB3 1 33 TYR QE 0.000 . 5.000 3.839 2.948 4.405 . 0 0 "[ . 1 . 2 .]" 4
584 1 30 ASP HB2 1 33 TYR QE 0.000 . 5.000 4.311 3.276 5.022 0.022 9 0 "[ . 1 . 2 .]" 4
585 1 31 GLU HA 1 33 TYR H 0.000 . 5.000 4.553 4.139 5.045 0.045 8 0 "[ . 1 . 2 .]" 4
586 1 31 GLU H 1 33 TYR QD 0.000 . 5.000 3.868 2.533 5.019 0.019 17 0 "[ . 1 . 2 .]" 4
587 1 31 GLU QB 1 33 TYR QD 0.000 . 5.000 4.469 3.097 5.032 0.032 3 0 "[ . 1 . 2 .]" 4
588 1 31 GLU QG 1 33 TYR HB2 0.000 . 6.000 5.964 4.934 6.059 0.059 24 0 "[ . 1 . 2 .]" 4
589 1 35 SER HA 1 37 PHE H 0.000 . 5.000 4.501 3.757 5.040 0.040 3 0 "[ . 1 . 2 .]" 4
590 1 35 SER H 1 37 PHE QB 0.000 . 6.000 6.004 5.867 6.095 0.095 17 0 "[ . 1 . 2 .]" 4
591 1 36 GLY HA3 1 39 MET H 0.000 . 6.000 5.142 3.603 6.022 0.022 16 0 "[ . 1 . 2 .]" 4
592 1 36 GLY HA3 1 40 MET H 0.000 . 5.000 4.269 2.400 5.013 0.013 3 0 "[ . 1 . 2 .]" 4
593 1 37 PHE HA 1 39 MET H 0.000 . 5.000 4.655 3.606 5.073 0.073 11 0 "[ . 1 . 2 .]" 4
594 1 37 PHE H 1 39 MET QB 0.000 . 6.000 5.100 4.179 6.048 0.048 21 0 "[ . 1 . 2 .]" 4
595 1 37 PHE H 1 39 MET HG2 0.000 . 5.000 4.627 3.097 5.084 0.084 5 0 "[ . 1 . 2 .]" 4
596 1 37 PHE QB 1 39 MET H 0.000 . 6.000 3.868 3.089 4.953 . 0 0 "[ . 1 . 2 .]" 4
597 1 37 PHE QB 1 40 MET H 0.000 . 5.000 4.876 4.462 5.046 0.046 5 0 "[ . 1 . 2 .]" 4
598 1 38 MET H 1 40 MET H 0.000 . 5.000 2.962 2.324 3.838 . 0 0 "[ . 1 . 2 .]" 4
599 1 38 MET QB 1 40 MET H 0.000 . 5.000 4.844 3.664 5.137 0.137 11 0 "[ . 1 . 2 .]" 4
600 1 38 MET QG 1 40 MET H 0.000 . 5.000 4.614 4.053 5.043 0.043 20 0 "[ . 1 . 2 .]" 4
601 1 40 MET H 1 42 ASN H 0.000 . 5.000 4.148 2.994 5.042 0.042 15 0 "[ . 1 . 2 .]" 4
602 1 40 MET QB 1 42 ASN H 0.000 . 6.000 4.823 2.781 6.036 0.036 4 0 "[ . 1 . 2 .]" 4
603 1 42 ASN H 1 44 MET H 0.000 . 6.000 5.490 4.391 6.111 0.111 15 0 "[ . 1 . 2 .]" 4
604 1 42 ASN HD21 1 44 MET HB3 0.000 . 5.000 4.601 2.920 5.061 0.061 1 0 "[ . 1 . 2 .]" 4
605 1 42 ASN HD21 1 44 MET HB2 0.000 . 6.000 4.856 2.516 6.053 0.053 7 0 "[ . 1 . 2 .]" 4
606 1 42 ASN HD22 1 44 MET HB3 0.000 . 6.000 3.923 2.771 6.015 0.015 9 0 "[ . 1 . 2 .]" 4
607 1 42 ASN HD22 1 44 MET HB2 0.000 . 5.000 4.153 2.256 5.019 0.019 22 0 "[ . 1 . 2 .]" 4
608 1 46 ILE HA 1 48 GLU H 0.000 . 5.000 5.022 4.878 5.054 0.054 17 0 "[ . 1 . 2 .]" 4
609 1 46 ILE MD 1 48 GLU HA 0.000 . 3.500 2.653 2.383 2.903 . 0 0 "[ . 1 . 2 .]" 4
610 1 46 ILE MD 1 48 GLU H 0.000 . 3.500 3.142 2.895 3.439 . 0 0 "[ . 1 . 2 .]" 4
611 1 46 ILE MD 1 48 GLU HG2 0.000 . 5.000 3.648 3.122 4.858 . 0 0 "[ . 1 . 2 .]" 4
612 1 46 ILE MD 1 49 CYS H 0.000 . 5.000 5.028 4.564 5.082 0.082 4 0 "[ . 1 . 2 .]" 4
613 1 46 ILE MD 1 50 GLN H 0.000 . 6.000 5.034 4.016 5.344 . 0 0 "[ . 1 . 2 .]" 4
614 1 47 ASP HA 1 50 GLN H 0.000 . 5.000 4.147 4.057 4.224 . 0 0 "[ . 1 . 2 .]" 4
615 1 47 ASP H 1 49 CYS H 0.000 . 6.000 5.194 5.113 5.395 . 0 0 "[ . 1 . 2 .]" 4
616 1 47 ASP H 1 50 GLN H 0.000 . 5.000 4.936 4.809 5.003 0.003 21 0 "[ . 1 . 2 .]" 4
617 1 47 ASP H 1 50 GLN HB3 0.000 . 6.000 5.661 5.365 5.802 . 0 0 "[ . 1 . 2 .]" 4
618 1 47 ASP H 1 50 GLN HB2 0.000 . 5.000 4.515 4.191 4.651 . 0 0 "[ . 1 . 2 .]" 4
619 1 47 ASP H 1 51 ARG HB3 0.000 . 6.000 5.975 5.740 6.017 0.017 14 0 "[ . 1 . 2 .]" 4
620 1 47 ASP HB3 1 49 CYS H 0.000 . 5.000 4.418 4.242 4.616 . 0 0 "[ . 1 . 2 .]" 4
621 1 47 ASP HB2 1 50 GLN H 0.000 . 5.000 4.635 4.461 4.694 . 0 0 "[ . 1 . 2 .]" 4
622 1 47 ASP HB2 1 50 GLN HB3 0.000 . 5.000 5.013 4.896 5.036 0.036 18 0 "[ . 1 . 2 .]" 4
623 1 47 ASP HB2 1 50 GLN HB2 0.000 . 5.000 3.570 3.438 3.607 . 0 0 "[ . 1 . 2 .]" 4
624 1 47 ASP HB2 1 50 GLN HE21 0.000 . 6.000 4.443 3.415 5.994 . 0 0 "[ . 1 . 2 .]" 4
625 1 47 ASP HB2 1 50 GLN HE22 0.000 . 6.000 5.398 4.791 6.007 0.007 7 0 "[ . 1 . 2 .]" 4
626 1 48 GLU HA 1 50 GLN H 0.000 . 5.000 3.567 3.479 3.751 . 0 0 "[ . 1 . 2 .]" 4
627 1 48 GLU HA 1 51 ARG H 0.000 . 5.000 2.980 2.928 3.065 . 0 0 "[ . 1 . 2 .]" 4
628 1 48 GLU HA 1 51 ARG HB3 0.000 . 3.500 2.345 2.276 2.398 . 0 0 "[ . 1 . 2 .]" 4
629 1 48 GLU HA 1 51 ARG HB2 0.000 . 5.000 2.768 2.543 2.892 . 0 0 "[ . 1 . 2 .]" 4
630 1 48 GLU HA 1 51 ARG QG 0.000 . 5.000 4.122 3.928 4.243 . 0 0 "[ . 1 . 2 .]" 4
631 1 48 GLU HA 1 52 ASP H 0.000 . 5.000 4.506 4.342 4.789 . 0 0 "[ . 1 . 2 .]" 4
632 1 48 GLU H 1 50 GLN H 0.000 . 5.000 4.145 4.099 4.174 . 0 0 "[ . 1 . 2 .]" 4
633 1 48 GLU H 1 51 ARG H 0.000 . 6.000 4.604 4.441 4.672 . 0 0 "[ . 1 . 2 .]" 4
634 1 48 GLU H 1 51 ARG HB3 0.000 . 5.000 4.986 4.890 5.017 0.017 15 0 "[ . 1 . 2 .]" 4
635 1 48 GLU H 1 51 ARG HB2 0.000 . 6.000 4.854 4.606 5.045 . 0 0 "[ . 1 . 2 .]" 4
636 1 48 GLU HB3 1 50 GLN H 0.000 . 5.000 5.033 5.012 5.060 0.060 25 0 "[ . 1 . 2 .]" 4
637 1 48 GLU HB3 1 51 ARG H 0.000 . 5.000 4.996 4.881 5.030 0.030 21 0 "[ . 1 . 2 .]" 4
638 1 49 CYS HA 1 51 ARG H 0.000 . 5.000 4.410 4.235 4.664 . 0 0 "[ . 1 . 2 .]" 4
639 1 49 CYS HA 1 52 ASP H 0.000 . 5.000 4.539 4.171 4.953 . 0 0 "[ . 1 . 2 .]" 4
640 1 49 CYS H 1 51 ARG H 0.000 . 5.000 3.837 3.798 3.917 . 0 0 "[ . 1 . 2 .]" 4
641 1 50 GLN H 1 52 ASP H 0.000 . 5.000 3.858 3.717 4.245 . 0 0 "[ . 1 . 2 .]" 4
642 1 50 GLN HB2 1 52 ASP H 0.000 . 6.000 5.307 5.106 5.810 . 0 0 "[ . 1 . 2 .]" 4
643 1 51 ARG H 1 55 LEU MD2 0.000 . 6.000 4.786 4.433 5.361 . 0 0 "[ . 1 . 2 .]" 4
644 1 52 ASP HA 1 55 LEU H 0.000 . 5.000 4.345 4.090 4.713 . 0 0 "[ . 1 . 2 .]" 4
645 1 52 ASP H 1 54 LEU H 0.000 . 5.000 4.958 4.802 5.007 0.007 18 0 "[ . 1 . 2 .]" 4
646 1 52 ASP H 1 55 LEU H 0.000 . 5.000 4.374 4.120 4.471 . 0 0 "[ . 1 . 2 .]" 4
647 1 52 ASP H 1 55 LEU HB3 0.000 . 5.000 3.977 3.637 4.376 . 0 0 "[ . 1 . 2 .]" 4
648 1 52 ASP H 1 55 LEU MD1 0.000 . 5.000 2.715 2.301 3.105 . 0 0 "[ . 1 . 2 .]" 4
649 1 52 ASP H 1 55 LEU MD2 0.000 . 5.000 4.354 4.121 4.645 . 0 0 "[ . 1 . 2 .]" 4
650 1 52 ASP HB3 1 54 LEU H 0.000 . 5.000 2.378 2.169 2.520 . 0 0 "[ . 1 . 2 .]" 4
651 1 52 ASP HB3 1 55 LEU H 0.000 . 5.000 2.137 1.874 2.886 . 0 0 "[ . 1 . 2 .]" 4
652 1 52 ASP HB3 1 55 LEU MD1 0.000 . 5.000 3.151 2.820 3.821 . 0 0 "[ . 1 . 2 .]" 4
653 1 52 ASP HB3 1 55 LEU MD2 0.000 . 6.000 4.851 4.497 5.713 . 0 0 "[ . 1 . 2 .]" 4
654 1 52 ASP HB2 1 55 LEU H 0.000 . 3.500 3.351 2.759 3.511 0.011 6 0 "[ . 1 . 2 .]" 4
655 1 52 ASP HB2 1 55 LEU HB3 0.000 . 5.000 3.748 3.518 4.098 . 0 0 "[ . 1 . 2 .]" 4
656 1 52 ASP HB2 1 55 LEU MD1 0.000 . 5.000 1.934 1.741 2.359 . 0 0 "[ . 1 . 2 .]" 4
657 1 52 ASP HB2 1 55 LEU MD2 0.000 . 5.000 4.227 3.940 4.612 . 0 0 "[ . 1 . 2 .]" 4
658 1 53 PRO HA 1 55 LEU H 0.000 . 5.000 4.096 3.904 4.225 . 0 0 "[ . 1 . 2 .]" 4
659 1 53 PRO HD3 1 55 LEU H 0.000 . 5.000 5.033 4.996 5.049 0.049 21 0 "[ . 1 . 2 .]" 4
660 1 54 LEU HA 1 57 ARG QD 0.000 . 5.000 3.586 3.270 4.420 . 0 0 "[ . 1 . 2 .]" 4
661 1 54 LEU HA 1 57 ARG HG2 0.000 . 5.000 3.785 3.393 3.998 . 0 0 "[ . 1 . 2 .]" 4
662 1 54 LEU H 1 57 ARG HG3 0.000 . 5.000 5.033 5.015 5.051 0.051 19 0 "[ . 1 . 2 .]" 4
663 1 54 LEU MD1 1 57 ARG HD3 0.000 . 5.000 3.554 2.202 5.006 0.006 17 0 "[ . 1 . 2 .]" 4
664 1 54 LEU MD1 1 57 ARG HD2 0.000 . 5.000 2.629 1.796 4.112 . 0 0 "[ . 1 . 2 .]" 4
665 1 54 LEU MD2 1 57 ARG HD3 0.000 . 5.000 4.350 2.694 5.017 0.017 17 0 "[ . 1 . 2 .]" 4
666 1 54 LEU MD2 1 57 ARG HD2 0.000 . 5.000 3.360 1.853 4.529 . 0 0 "[ . 1 . 2 .]" 4
667 1 55 LEU H 1 57 ARG H 0.000 . 6.000 4.190 4.063 4.615 . 0 0 "[ . 1 . 2 .]" 4
668 1 55 LEU MD1 1 57 ARG H 0.000 . 6.000 6.000 5.928 6.024 0.024 22 0 "[ . 1 . 2 .]" 4
669 1 55 LEU MD2 1 57 ARG H 0.000 . 5.000 4.994 4.879 5.065 0.065 8 0 "[ . 1 . 2 .]" 4
670 1 56 CYS HB3 1 60 VAL H 0.000 . 5.000 2.927 2.230 3.756 . 0 0 "[ . 1 . 2 .]" 4
671 1 57 ARG H 1 59 GLY H 0.000 . 5.000 4.096 3.819 4.798 . 0 0 "[ . 1 . 2 .]" 4
672 1 57 ARG QD 1 59 GLY H 0.000 . 6.000 5.947 5.647 6.047 0.047 17 0 "[ . 1 . 2 .]" 4
673 1 59 GLY HA3 1 61 CYS H 0.000 . 6.000 5.929 5.654 6.046 0.046 8 0 "[ . 1 . 2 .]" 4
674 1 60 VAL HA 1 62 HIS H 0.000 . 6.000 5.367 5.217 5.568 . 0 0 "[ . 1 . 2 .]" 4
675 1 60 VAL HB 1 62 HIS HE1 0.000 . 5.000 2.634 2.025 3.300 . 0 0 "[ . 1 . 2 .]" 4
676 1 60 VAL H 1 62 HIS HE1 0.000 . 5.000 4.725 3.385 5.035 0.035 10 0 "[ . 1 . 2 .]" 4
677 1 60 VAL MG1 1 62 HIS HA 0.000 . 5.000 3.612 3.451 3.761 . 0 0 "[ . 1 . 2 .]" 4
678 1 60 VAL MG1 1 62 HIS HE1 0.000 . 3.500 2.716 2.327 3.369 . 0 0 "[ . 1 . 2 .]" 4
679 1 60 VAL MG1 1 63 ASN H 0.000 . 6.000 5.085 4.930 5.310 . 0 0 "[ . 1 . 2 .]" 4
680 1 60 VAL MG2 1 62 HIS H 0.000 . 6.000 5.763 5.622 6.013 0.013 11 0 "[ . 1 . 2 .]" 4
681 1 60 VAL MG2 1 62 HIS HE1 0.000 . 5.000 3.766 3.127 4.493 . 0 0 "[ . 1 . 2 .]" 4
682 1 61 CYS HA 1 63 ASN H 0.000 . 6.000 4.154 3.746 4.431 . 0 0 "[ . 1 . 2 .]" 4
683 1 61 CYS H 1 63 ASN H 0.000 . 6.000 5.318 5.196 5.665 . 0 0 "[ . 1 . 2 .]" 4
684 1 62 HIS H 1 64 THR MG 0.000 . 5.000 4.845 4.661 5.024 0.024 15 0 "[ . 1 . 2 .]" 4
685 1 63 ASN HA 1 67 SER H 0.000 . 6.000 5.673 5.452 5.933 . 0 0 "[ . 1 . 2 .]" 4
686 1 64 THR HA 1 68 TYR HA 0.000 . 5.000 4.587 4.325 4.744 . 0 0 "[ . 1 . 2 .]" 4
687 1 64 THR H 1 67 SER H 0.000 . 5.000 4.188 3.997 4.414 . 0 0 "[ . 1 . 2 .]" 4
688 1 64 THR H 1 68 TYR HA 0.000 . 2.800 1.833 1.761 1.868 . 0 0 "[ . 1 . 2 .]" 4
689 1 64 THR H 1 68 TYR H 0.000 . 5.000 4.232 3.959 4.396 . 0 0 "[ . 1 . 2 .]" 4
690 1 64 THR H 1 68 TYR HB2 0.000 . 3.500 3.244 2.994 3.450 . 0 0 "[ . 1 . 2 .]" 4
691 1 64 THR MG 1 67 SER H 0.000 . 6.000 4.909 3.978 5.240 . 0 0 "[ . 1 . 2 .]" 4
692 1 64 THR MG 1 68 TYR HA 0.000 . 2.800 2.156 1.792 2.528 . 0 0 "[ . 1 . 2 .]" 4
693 1 64 THR MG 1 68 TYR H 0.000 . 5.000 4.096 3.214 4.585 . 0 0 "[ . 1 . 2 .]" 4
694 1 65 GLU H 1 67 SER H 0.000 . 6.000 4.538 4.308 4.860 . 0 0 "[ . 1 . 2 .]" 4
695 1 65 GLU HB3 1 67 SER H 0.000 . 6.000 5.247 4.837 5.909 . 0 0 "[ . 1 . 2 .]" 4
696 1 65 GLU HB2 1 67 SER H 0.000 . 6.000 5.359 4.844 5.804 . 0 0 "[ . 1 . 2 .]" 4
697 1 65 GLU QG 1 67 SER H 0.000 . 6.000 5.014 4.091 5.790 . 0 0 "[ . 1 . 2 .]" 4
698 1 70 CYS HA 1 72 CYS H 0.000 . 6.000 5.972 5.781 6.086 0.086 8 0 "[ . 1 . 2 .]" 4
699 1 71 GLU HB2 1 73 PRO HA 0.000 . 5.000 3.940 3.557 5.024 0.024 23 0 "[ . 1 . 2 .]" 4
700 1 72 CYS HA 1 76 HIS HB2 0.000 . 6.000 5.068 4.599 5.615 . 0 0 "[ . 1 . 2 .]" 4
701 1 72 CYS HB3 1 76 HIS HB3 0.000 . 5.000 2.980 2.315 4.391 . 0 0 "[ . 1 . 2 .]" 4
702 1 72 CYS HB2 1 76 HIS HA 0.000 . 6.000 5.403 5.157 5.770 . 0 0 "[ . 1 . 2 .]" 4
703 1 72 CYS HB2 1 76 HIS HB2 0.000 . 3.500 3.555 3.459 3.605 0.105 22 0 "[ . 1 . 2 .]" 4
704 1 78 LEU HG 1 80 PRO HA 0.000 . 5.000 4.641 4.297 5.005 0.005 8 0 "[ . 1 . 2 .]" 4
705 1 78 LEU HG 1 80 PRO HD3 0.000 . 6.000 5.902 5.742 6.044 0.044 8 0 "[ . 1 . 2 .]" 4
706 1 78 LEU H 1 80 PRO HD3 0.000 . 6.000 5.988 5.488 6.088 0.088 11 0 "[ . 1 . 2 .]" 4
707 1 78 LEU MD1 1 80 PRO HA 0.000 . 5.000 4.490 4.032 5.017 0.017 14 0 "[ . 1 . 2 .]" 4
708 1 79 SER HB3 1 82 ILE MD 0.000 . 3.500 3.058 2.165 3.562 0.062 15 0 "[ . 1 . 2 .]" 4
709 1 79 SER HB3 1 82 ILE MG 0.000 . 5.000 3.356 2.694 3.974 . 0 0 "[ . 1 . 2 .]" 4
710 1 79 SER HB2 1 82 ILE MG 0.000 . 5.000 3.595 2.935 4.072 . 0 0 "[ . 1 . 2 .]" 4
711 1 80 PRO HA 1 82 ILE MD 0.000 . 5.000 4.161 3.254 5.018 0.018 23 0 "[ . 1 . 2 .]" 4
712 1 80 PRO HD3 1 82 ILE MD 0.000 . 5.000 3.725 3.334 4.373 . 0 0 "[ . 1 . 2 .]" 4
713 1 80 PRO HD2 1 82 ILE MD 0.000 . 2.800 2.337 1.936 2.851 0.051 9 0 "[ . 1 . 2 .]" 4
714 1 80 PRO HD2 1 82 ILE HG13 0.000 . 5.000 4.636 3.364 5.062 0.062 11 0 "[ . 1 . 2 .]" 4
715 1 82 ILE HA 1 84 ALA MB 0.000 . 6.000 5.603 5.334 6.006 0.006 23 0 "[ . 1 . 2 .]" 4
716 1 82 ILE HB 1 84 ALA H 0.000 . 5.000 4.696 3.986 5.035 0.035 23 0 "[ . 1 . 2 .]" 4
717 1 82 ILE MG 1 84 ALA H 0.000 . 6.000 4.928 4.117 5.883 . 0 0 "[ . 1 . 2 .]" 4
718 1 84 ALA MB 1 86 ILE HA 0.000 . 6.000 5.258 4.797 5.480 . 0 0 "[ . 1 . 2 .]" 4
719 1 2 ASP HA 1 23 GLY H 0.000 . 2.800 1.988 1.861 2.319 . 0 0 "[ . 1 . 2 .]" 4
720 1 2 ASP HA 1 24 ASP H 0.000 . 3.500 3.502 3.341 3.539 0.039 2 0 "[ . 1 . 2 .]" 4
721 1 2 ASP HB3 1 23 GLY H 0.000 . 5.000 3.934 3.434 4.284 . 0 0 "[ . 1 . 2 .]" 4
722 1 2 ASP HB2 1 23 GLY H 0.000 . 5.000 2.541 1.879 2.978 . 0 0 "[ . 1 . 2 .]" 4
723 1 3 ILE H 1 21 THR H 0.000 . 6.000 5.971 5.669 6.038 0.038 18 0 "[ . 1 . 2 .]" 4
724 1 3 ILE H 1 23 GLY H 0.000 . 5.000 3.947 3.564 4.408 . 0 0 "[ . 1 . 2 .]" 4
725 1 4 ASP HB3 1 20 ASN HD21 0.000 . 5.000 4.949 4.765 5.080 0.080 18 0 "[ . 1 . 2 .]" 4
726 1 4 ASP HB3 1 20 ASN HD22 0.000 . 5.000 4.749 4.218 4.905 . 0 0 "[ . 1 . 2 .]" 4
727 1 5 GLU HA 1 12 LEU MD1 0.000 . 5.000 3.852 3.656 4.114 . 0 0 "[ . 1 . 2 .]" 4
728 1 5 GLU HA 1 12 LEU MD2 0.000 . 5.000 4.786 4.403 5.021 0.021 1 0 "[ . 1 . 2 .]" 4
729 1 5 GLU HA 1 25 PHE QD 0.000 . 5.000 4.510 4.117 4.852 . 0 0 "[ . 1 . 2 .]" 4
730 1 5 GLU H 1 20 ASN HD21 0.000 . 6.000 3.365 1.872 4.839 . 0 0 "[ . 1 . 2 .]" 4
731 1 5 GLU H 1 20 ASN HD22 0.000 . 6.000 3.393 2.001 4.861 . 0 0 "[ . 1 . 2 .]" 4
732 1 5 GLU H 1 25 PHE HB2 0.000 . 6.000 5.109 3.985 6.070 0.070 14 0 "[ . 1 . 2 .]" 4
733 1 5 GLU H 1 25 PHE QD 0.000 . 6.000 5.327 4.522 5.830 . 0 0 "[ . 1 . 2 .]" 4
734 1 5 GLU HB3 1 12 LEU MD1 0.000 . 5.000 3.642 3.093 3.822 . 0 0 "[ . 1 . 2 .]" 4
735 1 5 GLU HB3 1 25 PHE HB3 0.000 . 5.000 2.660 2.179 3.347 . 0 0 "[ . 1 . 2 .]" 4
736 1 5 GLU HB3 1 25 PHE HB2 0.000 . 5.000 3.400 2.718 4.380 . 0 0 "[ . 1 . 2 .]" 4
737 1 5 GLU HB3 1 25 PHE QD 0.000 . 3.500 2.545 1.920 2.953 . 0 0 "[ . 1 . 2 .]" 4
738 1 5 GLU HB3 1 25 PHE QE 0.000 . 5.000 3.486 2.925 3.750 . 0 0 "[ . 1 . 2 .]" 4
739 1 5 GLU HB2 1 25 PHE H 0.000 . 6.000 5.091 4.485 5.394 . 0 0 "[ . 1 . 2 .]" 4
740 1 5 GLU HB2 1 25 PHE HB3 0.000 . 5.000 1.927 1.832 2.128 . 0 0 "[ . 1 . 2 .]" 4
741 1 5 GLU HB2 1 25 PHE HB2 0.000 . 5.000 2.364 2.101 2.806 . 0 0 "[ . 1 . 2 .]" 4
742 1 5 GLU HB2 1 26 GLU H 0.000 . 6.000 5.056 4.198 5.610 . 0 0 "[ . 1 . 2 .]" 4
743 1 5 GLU HG3 1 24 ASP H 0.000 . 5.000 5.045 5.027 5.078 0.078 4 0 "[ . 1 . 2 .]" 4
744 1 5 GLU HG3 1 25 PHE QD 0.000 . 5.000 3.538 3.321 3.698 . 0 0 "[ . 1 . 2 .]" 4
745 1 5 GLU HG3 1 25 PHE QE 0.000 . 5.000 5.008 4.885 5.117 0.117 14 0 "[ . 1 . 2 .]" 4
746 1 5 GLU HG2 1 12 LEU MD1 0.000 . 6.000 5.547 5.090 5.776 . 0 0 "[ . 1 . 2 .]" 4
747 1 6 CYS HA 1 12 LEU MD1 0.000 . 5.000 2.020 1.738 2.680 . 0 0 "[ . 1 . 2 .]" 4
748 1 6 CYS HA 1 12 LEU MD2 0.000 . 5.000 3.874 3.602 4.547 . 0 0 "[ . 1 . 2 .]" 4
749 1 6 CYS HA 1 18 CYS H 0.000 . 6.000 5.313 4.678 6.016 0.016 9 0 "[ . 1 . 2 .]" 4
750 1 6 CYS HA 1 18 CYS HB3 0.000 . 5.000 3.194 2.737 3.876 . 0 0 "[ . 1 . 2 .]" 4
751 1 6 CYS H 1 20 ASN H 0.000 . 6.000 5.796 5.225 6.024 0.024 22 0 "[ . 1 . 2 .]" 4
752 1 6 CYS H 1 25 PHE QD 0.000 . 6.000 4.795 4.297 5.343 . 0 0 "[ . 1 . 2 .]" 4
753 1 6 CYS HB3 1 19 VAL HA 0.000 . 5.000 4.813 4.273 5.031 0.031 11 0 "[ . 1 . 2 .]" 4
754 1 6 CYS HB2 1 18 CYS HB3 0.000 . 5.000 4.387 3.600 5.129 0.129 9 0 "[ . 1 . 2 .]" 4
755 1 7 ARG HB2 1 20 ASN HD21 0.000 . 6.000 5.946 5.499 6.040 0.040 22 0 "[ . 1 . 2 .]" 4
756 1 12 LEU HG 1 25 PHE QE 0.000 . 5.000 4.539 4.357 4.866 . 0 0 "[ . 1 . 2 .]" 4
757 1 12 LEU H 1 18 CYS H 0.000 . 5.000 5.035 5.016 5.065 0.065 11 0 "[ . 1 . 2 .]" 4
758 1 12 LEU HB3 1 25 PHE QE 0.000 . 5.000 3.355 2.923 3.835 . 0 0 "[ . 1 . 2 .]" 4
759 1 12 LEU HB2 1 25 PHE QE 0.000 . 5.000 4.719 4.287 5.016 0.016 14 0 "[ . 1 . 2 .]" 4
760 1 12 LEU MD1 1 25 PHE HZ 0.000 . 5.000 4.163 3.862 4.440 . 0 0 "[ . 1 . 2 .]" 4
761 1 12 LEU MD1 1 25 PHE QD 0.000 . 5.000 3.912 3.683 4.113 . 0 0 "[ . 1 . 2 .]" 4
762 1 12 LEU MD1 1 25 PHE QE 0.000 . 3.500 3.516 3.388 3.543 0.043 3 0 "[ . 1 . 2 .]" 4
763 1 12 LEU MD2 1 18 CYS HB3 0.000 . 5.000 3.932 2.461 5.020 0.020 9 0 "[ . 1 . 2 .]" 4
764 1 12 LEU MD2 1 25 PHE HZ 0.000 . 5.000 2.186 1.856 2.502 . 0 0 "[ . 1 . 2 .]" 4
765 1 12 LEU MD2 1 25 PHE QD 0.000 . 5.000 3.358 3.161 3.622 . 0 0 "[ . 1 . 2 .]" 4
766 1 12 LEU MD2 1 25 PHE QE 0.000 . 3.500 1.858 1.724 2.287 . 0 0 "[ . 1 . 2 .]" 4
767 1 13 CYS H 1 18 CYS H 0.000 . 5.000 3.835 3.328 4.571 . 0 0 "[ . 1 . 2 .]" 4
768 1 13 CYS H 1 42 ASN HA 0.000 . 5.000 4.560 4.051 5.027 0.027 3 0 "[ . 1 . 2 .]" 4
769 1 14 GLY H 1 42 ASN H 0.000 . 6.000 5.986 5.592 6.084 0.084 16 0 "[ . 1 . 2 .]" 4
770 1 14 GLY H 1 43 CYS H 0.000 . 5.000 4.513 3.218 5.042 0.042 9 0 "[ . 1 . 2 .]" 4
771 1 14 GLY HA2 1 43 CYS H 0.000 . 6.000 5.177 3.578 6.038 0.038 9 0 "[ . 1 . 2 .]" 4
772 1 15 ARG H 1 33 TYR QD 0.000 . 6.000 5.358 3.853 6.023 0.023 6 0 "[ . 1 . 2 .]" 4
773 1 15 ARG H 1 43 CYS H 0.000 . 5.000 4.584 3.561 5.042 0.042 4 0 "[ . 1 . 2 .]" 4
774 1 15 ARG HB3 1 30 ASP H 0.000 . 5.000 3.684 2.572 4.868 . 0 0 "[ . 1 . 2 .]" 4
775 1 15 ARG HB3 1 33 TYR QD 0.000 . 3.500 2.489 1.869 3.149 . 0 0 "[ . 1 . 2 .]" 4
776 1 15 ARG HB3 1 33 TYR QE 0.000 . 5.000 3.641 2.023 4.513 . 0 0 "[ . 1 . 2 .]" 4
777 1 15 ARG HB2 1 30 ASP H 0.000 . 6.000 5.236 4.225 6.062 0.062 6 0 "[ . 1 . 2 .]" 4
778 1 15 ARG HB2 1 33 TYR QD 0.000 . 5.000 3.082 2.215 3.975 . 0 0 "[ . 1 . 2 .]" 4
779 1 15 ARG HB2 1 33 TYR QE 0.000 . 3.500 3.208 2.045 3.537 0.037 17 0 "[ . 1 . 2 .]" 4
780 1 15 ARG QD 1 33 TYR QE 0.000 . 5.000 2.624 1.861 4.039 . 0 0 "[ . 1 . 2 .]" 4
781 1 15 ARG HD3 1 33 TYR QE 0.000 . 5.000 2.685 1.868 4.256 . 0 0 "[ . 1 . 2 .]" 4
782 1 15 ARG QG 1 30 ASP H 0.000 . 5.000 3.528 2.860 4.250 . 0 0 "[ . 1 . 2 .]" 4
783 1 15 ARG QG 1 33 TYR H 0.000 . 6.000 5.393 4.683 6.010 0.010 12 0 "[ . 1 . 2 .]" 4
784 1 15 ARG QG 1 33 TYR QD 0.000 . 5.000 2.517 1.840 3.651 . 0 0 "[ . 1 . 2 .]" 4
785 1 15 ARG QG 1 33 TYR QE 0.000 . 5.000 2.485 1.841 3.765 . 0 0 "[ . 1 . 2 .]" 4
786 1 16 GLY H 1 28 LYS H 0.000 . 6.000 5.573 4.874 6.025 0.025 11 0 "[ . 1 . 2 .]" 4
787 1 16 GLY H 1 29 CYS HA 0.000 . 5.000 3.131 2.545 4.339 . 0 0 "[ . 1 . 2 .]" 4
788 1 16 GLY H 1 30 ASP H 0.000 . 5.000 4.150 3.224 5.008 0.008 11 0 "[ . 1 . 2 .]" 4
789 1 16 GLY H 1 43 CYS H 0.000 . 5.000 4.494 3.469 5.045 0.045 21 0 "[ . 1 . 2 .]" 4
790 1 16 GLY HA3 1 28 LYS H 0.000 . 5.000 3.623 3.051 4.105 . 0 0 "[ . 1 . 2 .]" 4
791 1 16 GLY HA3 1 29 CYS H 0.000 . 6.000 3.632 3.130 4.283 . 0 0 "[ . 1 . 2 .]" 4
792 1 16 GLY HA3 1 30 ASP H 0.000 . 5.000 3.862 3.243 4.445 . 0 0 "[ . 1 . 2 .]" 4
793 1 16 GLY HA2 1 29 CYS HA 0.000 . 3.500 2.855 2.198 3.413 . 0 0 "[ . 1 . 2 .]" 4
794 1 16 GLY HA2 1 30 ASP H 0.000 . 5.000 3.693 3.171 4.447 . 0 0 "[ . 1 . 2 .]" 4
795 1 17 GLN H 1 27 CYS HA 0.000 . 5.000 4.254 3.895 4.790 . 0 0 "[ . 1 . 2 .]" 4
796 1 17 GLN H 1 27 CYS QB 0.000 . 5.000 3.744 2.978 4.454 . 0 0 "[ . 1 . 2 .]" 4
797 1 17 GLN H 1 28 LYS H 0.000 . 3.500 2.100 1.862 2.564 . 0 0 "[ . 1 . 2 .]" 4
798 1 17 GLN H 1 28 LYS HB3 0.000 . 5.000 2.428 1.881 2.825 . 0 0 "[ . 1 . 2 .]" 4
799 1 17 GLN H 1 28 LYS QD 0.000 . 5.000 3.797 3.096 4.418 . 0 0 "[ . 1 . 2 .]" 4
800 1 17 GLN H 1 28 LYS HG3 0.000 . 5.000 4.770 4.187 5.012 0.012 6 0 "[ . 1 . 2 .]" 4
801 1 17 GLN H 1 28 LYS HG2 0.000 . 6.000 5.083 4.637 5.561 . 0 0 "[ . 1 . 2 .]" 4
802 1 17 GLN H 1 29 CYS HA 0.000 . 5.000 3.766 3.459 4.021 . 0 0 "[ . 1 . 2 .]" 4
803 1 17 GLN H 1 29 CYS H 0.000 . 5.000 4.014 3.817 4.375 . 0 0 "[ . 1 . 2 .]" 4
804 1 17 GLN H 1 29 CYS HB2 0.000 . 6.000 5.849 5.602 6.048 0.048 24 0 "[ . 1 . 2 .]" 4
805 1 17 GLN H 1 30 ASP H 0.000 . 6.000 5.693 5.127 6.026 0.026 13 0 "[ . 1 . 2 .]" 4
806 1 17 GLN HB2 1 28 LYS H 0.000 . 5.000 3.337 2.822 3.893 . 0 0 "[ . 1 . 2 .]" 4
807 1 17 GLN HB2 1 29 CYS H 0.000 . 6.000 6.023 5.975 6.049 0.049 6 0 "[ . 1 . 2 .]" 4
808 1 17 GLN HG3 1 28 LYS HG3 0.000 . 5.000 3.868 3.201 5.002 0.002 21 0 "[ . 1 . 2 .]" 4
809 1 17 GLN HE21 1 28 LYS QD 0.000 . 6.000 4.886 3.508 6.002 0.002 4 0 "[ . 1 . 2 .]" 4
810 1 17 GLN HE22 1 28 LYS HG3 0.000 . 6.000 5.977 5.454 6.008 0.008 4 0 "[ . 1 . 2 .]" 4
811 1 18 CYS HA 1 27 CYS HA 0.000 . 2.800 2.141 1.858 2.743 . 0 0 "[ . 1 . 2 .]" 4
812 1 18 CYS HA 1 27 CYS H 0.000 . 5.000 4.606 4.143 5.011 0.011 3 0 "[ . 1 . 2 .]" 4
813 1 18 CYS HA 1 27 CYS QB 0.000 . 5.000 3.049 1.787 3.898 . 0 0 "[ . 1 . 2 .]" 4
814 1 18 CYS HA 1 28 LYS H 0.000 . 5.000 3.594 3.054 4.141 . 0 0 "[ . 1 . 2 .]" 4
815 1 19 VAL HA 1 26 GLU H 0.000 . 6.000 4.672 4.473 4.913 . 0 0 "[ . 1 . 2 .]" 4
816 1 19 VAL H 1 25 PHE QD 0.000 . 5.000 2.991 2.633 3.472 . 0 0 "[ . 1 . 2 .]" 4
817 1 19 VAL H 1 26 GLU H 0.000 . 5.000 3.096 2.765 3.511 . 0 0 "[ . 1 . 2 .]" 4
818 1 19 VAL H 1 26 GLU HB3 0.000 . 6.000 5.423 5.128 5.608 . 0 0 "[ . 1 . 2 .]" 4
819 1 19 VAL H 1 27 CYS HA 0.000 . 5.000 2.735 2.133 3.033 . 0 0 "[ . 1 . 2 .]" 4
820 1 19 VAL H 1 27 CYS H 0.000 . 5.000 4.280 3.733 4.629 . 0 0 "[ . 1 . 2 .]" 4
821 1 19 VAL H 1 28 LYS H 0.000 . 5.000 4.846 4.134 5.026 0.026 9 0 "[ . 1 . 2 .]" 4
822 1 20 ASN HA 1 25 PHE HA 0.000 . 3.500 3.065 2.469 3.287 . 0 0 "[ . 1 . 2 .]" 4
823 1 20 ASN HA 1 25 PHE QD 0.000 . 5.000 4.706 4.143 5.006 0.006 9 0 "[ . 1 . 2 .]" 4
824 1 20 ASN HA 1 26 GLU H 0.000 . 5.000 3.892 3.356 4.393 . 0 0 "[ . 1 . 2 .]" 4
825 1 20 ASN H 1 25 PHE HA 0.000 . 5.000 5.016 4.849 5.064 0.064 24 0 "[ . 1 . 2 .]" 4
826 1 21 THR H 1 26 GLU H 0.000 . 5.000 4.601 4.104 4.830 . 0 0 "[ . 1 . 2 .]" 4
827 1 21 THR MG 1 26 GLU H 0.000 . 5.000 2.465 1.880 3.155 . 0 0 "[ . 1 . 2 .]" 4
828 1 21 THR MG 1 26 GLU HB3 0.000 . 5.000 3.021 2.180 4.159 . 0 0 "[ . 1 . 2 .]" 4
829 1 21 THR MG 1 26 GLU HB2 0.000 . 5.000 4.077 3.645 4.612 . 0 0 "[ . 1 . 2 .]" 4
830 1 21 THR MG 1 26 GLU QG 0.000 . 3.500 2.279 1.741 2.792 . 0 0 "[ . 1 . 2 .]" 4
831 1 25 PHE HZ 1 41 LYS QB 0.000 . 3.500 2.448 1.772 3.368 . 0 0 "[ . 1 . 2 .]" 4
832 1 25 PHE HZ 1 41 LYS HD3 0.000 . 5.000 4.553 3.027 5.041 0.041 11 0 "[ . 1 . 2 .]" 4
833 1 25 PHE HZ 1 41 LYS QE 0.000 . 6.000 4.826 3.462 5.878 . 0 0 "[ . 1 . 2 .]" 4
834 1 25 PHE HZ 1 41 LYS QG 0.000 . 5.000 3.146 2.348 4.737 . 0 0 "[ . 1 . 2 .]" 4
835 1 25 PHE QD 1 41 LYS QB 0.000 . 5.000 4.674 4.037 5.012 0.012 2 0 "[ . 1 . 2 .]" 4
836 1 25 PHE QE 1 41 LYS H 0.000 . 6.000 5.792 4.936 6.034 0.034 24 0 "[ . 1 . 2 .]" 4
837 1 25 PHE QE 1 41 LYS QB 0.000 . 3.500 2.845 2.320 3.336 . 0 0 "[ . 1 . 2 .]" 4
838 1 25 PHE QE 1 41 LYS HD3 0.000 . 5.000 4.239 2.968 5.011 0.011 18 0 "[ . 1 . 2 .]" 4
839 1 25 PHE QE 1 41 LYS QG 0.000 . 5.000 2.514 1.826 3.482 . 0 0 "[ . 1 . 2 .]" 4
840 1 26 GLU HA 1 41 LYS HD2 0.000 . 5.000 4.570 3.523 5.023 0.023 24 0 "[ . 1 . 2 .]" 4
841 1 26 GLU HA 1 41 LYS HE3 0.000 . 5.000 3.539 2.512 5.040 0.040 24 0 "[ . 1 . 2 .]" 4
842 1 27 CYS H 1 41 LYS QG 0.000 . 5.000 4.811 3.420 5.052 0.052 11 0 "[ . 1 . 2 .]" 4
843 1 27 CYS QB 1 35 SER HB2 0.000 . 5.000 3.344 1.929 5.004 0.004 12 0 "[ . 1 . 2 .]" 4
844 1 29 CYS HB3 1 35 SER H 0.000 . 5.000 4.951 4.622 5.064 0.064 17 0 "[ . 1 . 2 .]" 4
845 1 29 CYS HB2 1 34 GLU H 0.000 . 6.000 5.701 4.544 6.024 0.024 16 0 "[ . 1 . 2 .]" 4
846 1 32 GLY H 1 45 ASP H 0.000 . 6.000 6.039 5.923 6.100 0.100 11 0 "[ . 1 . 2 .]" 4
847 1 32 GLY HA3 1 46 ILE H 0.000 . 6.000 3.823 3.292 4.220 . 0 0 "[ . 1 . 2 .]" 4
848 1 32 GLY HA2 1 45 ASP HB2 0.000 . 6.000 5.973 5.627 6.087 0.087 3 0 "[ . 1 . 2 .]" 4
849 1 32 GLY HA2 1 46 ILE MG 0.000 . 5.000 3.911 2.841 4.420 . 0 0 "[ . 1 . 2 .]" 4
850 1 33 TYR HA 1 44 MET H 0.000 . 5.000 3.659 2.800 4.018 . 0 0 "[ . 1 . 2 .]" 4
851 1 33 TYR HA 1 45 ASP HA 0.000 . 3.500 1.951 1.793 2.435 . 0 0 "[ . 1 . 2 .]" 4
852 1 33 TYR HA 1 46 ILE H 0.000 . 3.500 2.679 1.795 3.431 . 0 0 "[ . 1 . 2 .]" 4
853 1 33 TYR H 1 44 MET H 0.000 . 6.000 5.885 5.130 6.069 0.069 15 0 "[ . 1 . 2 .]" 4
854 1 33 TYR H 1 45 ASP HA 0.000 . 5.000 3.848 3.418 4.030 . 0 0 "[ . 1 . 2 .]" 4
855 1 33 TYR H 1 45 ASP HB3 0.000 . 6.000 5.781 4.967 6.130 0.130 3 0 "[ . 1 . 2 .]" 4
856 1 33 TYR H 1 46 ILE H 0.000 . 5.000 4.260 3.589 4.597 . 0 0 "[ . 1 . 2 .]" 4
857 1 33 TYR HB2 1 44 MET H 0.000 . 5.000 4.499 3.990 4.861 . 0 0 "[ . 1 . 2 .]" 4
858 1 33 TYR HB2 1 46 ILE H 0.000 . 6.000 5.400 4.481 6.018 0.018 15 0 "[ . 1 . 2 .]" 4
859 1 33 TYR QD 1 44 MET HA 0.000 . 3.500 3.162 1.842 3.544 0.044 12 0 "[ . 1 . 2 .]" 4
860 1 33 TYR QD 1 44 MET H 0.000 . 5.000 4.268 3.357 4.826 . 0 0 "[ . 1 . 2 .]" 4
861 1 33 TYR QD 1 45 ASP HA 0.000 . 3.500 2.494 1.866 3.532 0.032 11 0 "[ . 1 . 2 .]" 4
862 1 33 TYR QD 1 45 ASP H 0.000 . 3.500 2.508 1.815 3.417 . 0 0 "[ . 1 . 2 .]" 4
863 1 33 TYR QD 1 46 ILE H 0.000 . 5.000 4.115 3.357 5.010 0.010 11 0 "[ . 1 . 2 .]" 4
864 1 33 TYR QD 1 66 GLY H 0.000 . 5.000 3.156 2.414 4.437 . 0 0 "[ . 1 . 2 .]" 4
865 1 33 TYR QD 1 66 GLY HA3 0.000 . 5.000 3.914 3.119 4.736 . 0 0 "[ . 1 . 2 .]" 4
866 1 33 TYR QD 1 66 GLY HA2 0.000 . 5.000 3.091 1.866 3.970 . 0 0 "[ . 1 . 2 .]" 4
867 1 33 TYR QE 1 44 MET HA 0.000 . 5.000 4.271 3.022 5.033 0.033 13 0 "[ . 1 . 2 .]" 4
868 1 33 TYR QE 1 45 ASP HA 0.000 . 5.000 3.966 3.329 4.510 . 0 0 "[ . 1 . 2 .]" 4
869 1 33 TYR QE 1 45 ASP HB3 0.000 . 5.000 3.194 2.455 4.085 . 0 0 "[ . 1 . 2 .]" 4
870 1 33 TYR QE 1 65 GLU HA 0.000 . 5.000 3.528 2.589 4.243 . 0 0 "[ . 1 . 2 .]" 4
871 1 33 TYR QE 1 65 GLU HB3 0.000 . 5.000 3.617 1.934 4.929 . 0 0 "[ . 1 . 2 .]" 4
872 1 33 TYR QE 1 65 GLU HB2 0.000 . 5.000 4.048 1.872 5.005 0.005 20 0 "[ . 1 . 2 .]" 4
873 1 33 TYR QE 1 65 GLU QG 0.000 . 3.500 3.321 2.920 3.557 0.057 5 0 "[ . 1 . 2 .]" 4
874 1 33 TYR QE 1 66 GLY HA3 0.000 . 3.500 2.788 1.979 3.510 0.010 15 0 "[ . 1 . 2 .]" 4
875 1 33 TYR QE 1 66 GLY HA2 0.000 . 3.500 3.047 2.222 3.517 0.017 4 0 "[ . 1 . 2 .]" 4
876 1 33 TYR QE 1 67 SER H 0.000 . 5.000 4.780 4.314 5.034 0.034 17 0 "[ . 1 . 2 .]" 4
877 1 34 GLU H 1 43 CYS HA 0.000 . 5.000 3.670 3.163 4.396 . 0 0 "[ . 1 . 2 .]" 4
878 1 34 GLU H 1 43 CYS QB 0.000 . 5.000 4.505 3.865 5.025 0.025 15 0 "[ . 1 . 2 .]" 4
879 1 34 GLU H 1 44 MET HA 0.000 . 5.000 3.914 3.541 4.318 . 0 0 "[ . 1 . 2 .]" 4
880 1 34 GLU H 1 44 MET H 0.000 . 3.500 2.314 1.862 3.121 . 0 0 "[ . 1 . 2 .]" 4
881 1 34 GLU H 1 45 ASP HA 0.000 . 5.000 3.508 2.981 3.967 . 0 0 "[ . 1 . 2 .]" 4
882 1 34 GLU H 1 45 ASP H 0.000 . 6.000 3.747 3.395 4.210 . 0 0 "[ . 1 . 2 .]" 4
883 1 34 GLU H 1 46 ILE HA 0.000 . 6.000 3.705 2.900 4.259 . 0 0 "[ . 1 . 2 .]" 4
884 1 34 GLU H 1 46 ILE H 0.000 . 5.000 3.211 2.387 3.633 . 0 0 "[ . 1 . 2 .]" 4
885 1 34 GLU H 1 46 ILE MD 0.000 . 6.000 5.795 5.259 6.068 0.068 17 0 "[ . 1 . 2 .]" 4
886 1 34 GLU HB3 1 46 ILE H 0.000 . 5.000 3.399 2.896 3.915 . 0 0 "[ . 1 . 2 .]" 4
887 1 34 GLU HB3 1 46 ILE MD 0.000 . 5.000 4.887 4.366 5.056 0.056 10 0 "[ . 1 . 2 .]" 4
888 1 34 GLU HB2 1 46 ILE H 0.000 . 5.000 4.766 3.978 5.027 0.027 19 0 "[ . 1 . 2 .]" 4
889 1 34 GLU HB2 1 46 ILE QG 0.000 . 5.000 4.617 1.867 5.025 0.025 11 0 "[ . 1 . 2 .]" 4
890 1 34 GLU HG3 1 46 ILE HA 0.000 . 5.000 4.599 3.996 5.014 0.014 11 0 "[ . 1 . 2 .]" 4
891 1 34 GLU HG2 1 46 ILE HA 0.000 . 5.000 3.695 2.851 4.558 . 0 0 "[ . 1 . 2 .]" 4
892 1 35 SER H 1 41 LYS QD 0.000 . 5.000 4.841 4.271 5.061 0.061 24 0 "[ . 1 . 2 .]" 4
893 1 35 SER H 1 41 LYS QE 0.000 . 5.000 4.818 4.125 5.018 0.018 11 0 "[ . 1 . 2 .]" 4
894 1 35 SER H 1 44 MET H 0.000 . 5.000 4.587 3.710 5.046 0.046 6 0 "[ . 1 . 2 .]" 4
895 1 35 SER HB2 1 42 ASN H 0.000 . 6.000 5.306 2.993 6.076 0.076 15 0 "[ . 1 . 2 .]" 4
896 1 36 GLY H 1 41 LYS QB 0.000 . 5.000 4.786 4.285 5.062 0.062 12 0 "[ . 1 . 2 .]" 4
897 1 36 GLY H 1 41 LYS QD 0.000 . 5.000 3.827 2.625 4.887 . 0 0 "[ . 1 . 2 .]" 4
898 1 36 GLY H 1 41 LYS QG 0.000 . 5.000 4.488 3.370 5.069 0.069 17 0 "[ . 1 . 2 .]" 4
899 1 36 GLY H 1 43 CYS HA 0.000 . 5.000 3.739 1.876 4.724 . 0 0 "[ . 1 . 2 .]" 4
900 1 36 GLY H 1 44 MET H 0.000 . 5.000 4.013 2.543 4.929 . 0 0 "[ . 1 . 2 .]" 4
901 1 36 GLY H 1 44 MET HB3 0.000 . 6.000 5.637 4.359 6.041 0.041 18 0 "[ . 1 . 2 .]" 4
902 1 36 GLY H 1 44 MET QG 0.000 . 5.000 4.248 2.573 5.024 0.024 1 0 "[ . 1 . 2 .]" 4
903 1 36 GLY HA2 1 42 ASN H 0.000 . 6.000 3.672 1.852 5.258 . 0 0 "[ . 1 . 2 .]" 4
904 1 37 PHE HA 1 42 ASN HD21 0.000 . 6.000 5.628 4.676 6.079 0.079 10 0 "[ . 1 . 2 .]" 4
905 1 37 PHE H 1 44 MET HB3 0.000 . 6.000 5.651 4.541 6.098 0.098 12 0 "[ . 1 . 2 .]" 4
906 1 45 ASP HB2 1 65 GLU HA 0.000 . 3.500 2.638 2.180 3.054 . 0 0 "[ . 1 . 2 .]" 4
907 1 45 ASP HB2 1 66 GLY H 0.000 . 5.000 2.564 1.946 4.955 . 0 0 "[ . 1 . 2 .]" 4
908 1 45 ASP HB2 1 67 SER H 0.000 . 5.000 3.272 2.756 4.175 . 0 0 "[ . 1 . 2 .]" 4
909 1 46 ILE MD 1 51 ARG H 0.000 . 5.000 4.300 3.163 4.719 . 0 0 "[ . 1 . 2 .]" 4
910 1 46 ILE MD 1 51 ARG HB3 0.000 . 5.000 3.642 3.220 4.198 . 0 0 "[ . 1 . 2 .]" 4
911 1 46 ILE MD 1 51 ARG HD3 0.000 . 5.000 4.602 3.899 5.009 0.009 22 0 "[ . 1 . 2 .]" 4
912 1 46 ILE MD 1 51 ARG HD2 0.000 . 5.000 3.476 2.682 4.162 . 0 0 "[ . 1 . 2 .]" 4
913 1 47 ASP H 1 63 ASN HD21 0.000 . 6.000 4.728 4.543 5.100 . 0 0 "[ . 1 . 2 .]" 4
914 1 47 ASP H 1 63 ASN HD22 0.000 . 6.000 4.152 4.013 4.382 . 0 0 "[ . 1 . 2 .]" 4
915 1 47 ASP HB3 1 63 ASN HD21 0.000 . 5.000 4.750 4.614 5.001 0.001 12 0 "[ . 1 . 2 .]" 4
916 1 47 ASP HB3 1 63 ASN HD22 0.000 . 5.000 4.976 4.825 5.024 0.024 11 0 "[ . 1 . 2 .]" 4
917 1 48 GLU HA 1 55 LEU MD1 0.000 . 5.000 3.428 3.035 3.636 . 0 0 "[ . 1 . 2 .]" 4
918 1 48 GLU HA 1 55 LEU MD2 0.000 . 5.000 4.288 3.886 4.909 . 0 0 "[ . 1 . 2 .]" 4
919 1 48 GLU HA 1 68 TYR QD 0.000 . 5.000 4.519 4.246 4.844 . 0 0 "[ . 1 . 2 .]" 4
920 1 48 GLU H 1 55 LEU MD1 0.000 . 6.000 5.127 4.893 5.413 . 0 0 "[ . 1 . 2 .]" 4
921 1 48 GLU H 1 55 LEU MD2 0.000 . 6.000 5.148 4.886 5.686 . 0 0 "[ . 1 . 2 .]" 4
922 1 48 GLU H 1 63 ASN HB3 0.000 . 5.000 4.998 4.913 5.044 0.044 17 0 "[ . 1 . 2 .]" 4
923 1 48 GLU H 1 63 ASN HD21 0.000 . 5.000 2.011 1.861 2.294 . 0 0 "[ . 1 . 2 .]" 4
924 1 48 GLU H 1 63 ASN HD22 0.000 . 5.000 2.118 1.872 2.315 . 0 0 "[ . 1 . 2 .]" 4
925 1 48 GLU H 1 67 SER H 0.000 . 6.000 6.015 6.002 6.041 0.041 15 0 "[ . 1 . 2 .]" 4
926 1 48 GLU HB3 1 55 LEU MD1 0.000 . 3.500 2.472 2.199 3.037 . 0 0 "[ . 1 . 2 .]" 4
927 1 48 GLU HB3 1 55 LEU MD2 0.000 . 5.000 3.045 2.591 3.724 . 0 0 "[ . 1 . 2 .]" 4
928 1 48 GLU HB3 1 68 TYR H 0.000 . 6.000 4.848 4.374 5.334 . 0 0 "[ . 1 . 2 .]" 4
929 1 48 GLU HB3 1 68 TYR QD 0.000 . 5.000 2.489 2.032 2.932 . 0 0 "[ . 1 . 2 .]" 4
930 1 48 GLU HB3 1 68 TYR QE 0.000 . 5.000 3.617 3.273 3.708 . 0 0 "[ . 1 . 2 .]" 4
931 1 48 GLU HB3 1 69 ARG H 0.000 . 6.000 5.975 5.777 6.019 0.019 6 0 "[ . 1 . 2 .]" 4
932 1 48 GLU HB2 1 55 LEU MD1 0.000 . 5.000 3.844 3.534 4.366 . 0 0 "[ . 1 . 2 .]" 4
933 1 48 GLU HB2 1 63 ASN HA 0.000 . 5.000 3.236 2.794 3.410 . 0 0 "[ . 1 . 2 .]" 4
934 1 48 GLU HB2 1 68 TYR QD 0.000 . 3.500 3.316 3.133 3.439 . 0 0 "[ . 1 . 2 .]" 4
935 1 48 GLU HB2 1 68 TYR QE 0.000 . 5.000 4.908 4.536 5.033 0.033 10 0 "[ . 1 . 2 .]" 4
936 1 48 GLU HG3 1 63 ASN HA 0.000 . 6.000 5.885 5.193 6.046 0.046 16 0 "[ . 1 . 2 .]" 4
937 1 48 GLU HG3 1 63 ASN HD21 0.000 . 5.000 4.879 4.370 5.013 0.013 16 0 "[ . 1 . 2 .]" 4
938 1 48 GLU HG3 1 68 TYR QD 0.000 . 5.000 3.513 3.302 3.724 . 0 0 "[ . 1 . 2 .]" 4
939 1 48 GLU HG3 1 68 TYR QE 0.000 . 5.000 4.892 4.105 5.026 0.026 5 0 "[ . 1 . 2 .]" 4
940 1 48 GLU HG2 1 55 LEU MD1 0.000 . 5.000 4.146 3.860 4.553 . 0 0 "[ . 1 . 2 .]" 4
941 1 48 GLU HG2 1 68 TYR H 0.000 . 6.000 3.717 3.121 4.318 . 0 0 "[ . 1 . 2 .]" 4
942 1 48 GLU HG2 1 68 TYR QD 0.000 . 3.500 2.001 1.864 2.141 . 0 0 "[ . 1 . 2 .]" 4
943 1 48 GLU HG2 1 68 TYR QE 0.000 . 5.000 3.925 2.663 4.284 . 0 0 "[ . 1 . 2 .]" 4
944 1 49 CYS HA 1 55 LEU MD1 0.000 . 3.500 3.282 2.767 3.527 0.027 23 0 "[ . 1 . 2 .]" 4
945 1 49 CYS HA 1 55 LEU MD2 0.000 . 5.000 1.793 1.704 2.134 . 0 0 "[ . 1 . 2 .]" 4
946 1 49 CYS HA 1 68 TYR QE 0.000 . 5.000 5.023 4.986 5.046 0.046 6 0 "[ . 1 . 2 .]" 4
947 1 49 CYS H 1 55 LEU MD1 0.000 . 5.000 4.340 3.923 4.509 . 0 0 "[ . 1 . 2 .]" 4
948 1 49 CYS H 1 55 LEU MD2 0.000 . 5.000 3.625 3.379 4.108 . 0 0 "[ . 1 . 2 .]" 4
949 1 49 CYS H 1 63 ASN HB3 0.000 . 5.000 4.428 3.988 4.841 . 0 0 "[ . 1 . 2 .]" 4
950 1 49 CYS H 1 63 ASN HD21 0.000 . 5.000 2.221 1.868 2.501 . 0 0 "[ . 1 . 2 .]" 4
951 1 49 CYS H 1 63 ASN HD22 0.000 . 5.000 3.773 3.245 4.045 . 0 0 "[ . 1 . 2 .]" 4
952 1 49 CYS QB 1 61 CYS HB3 0.000 . 5.000 3.300 1.857 4.549 . 0 0 "[ . 1 . 2 .]" 4
953 1 50 GLN H 1 63 ASN HD21 0.000 . 5.000 4.333 4.050 4.545 . 0 0 "[ . 1 . 2 .]" 4
954 1 54 LEU H 1 83 SER HB2 0.000 . 5.000 3.906 3.143 4.767 . 0 0 "[ . 1 . 2 .]" 4
955 1 54 LEU H 1 84 ALA HA 0.000 . 6.000 5.926 5.703 6.062 0.062 23 0 "[ . 1 . 2 .]" 4
956 1 55 LEU H 1 83 SER HB3 0.000 . 5.000 3.709 2.951 4.944 . 0 0 "[ . 1 . 2 .]" 4
957 1 55 LEU H 1 83 SER HB2 0.000 . 3.500 3.060 2.378 3.537 0.037 3 0 "[ . 1 . 2 .]" 4
958 1 55 LEU HB3 1 68 TYR QE 0.000 . 5.000 4.638 4.353 4.926 . 0 0 "[ . 1 . 2 .]" 4
959 1 55 LEU MD1 1 68 TYR QD 0.000 . 5.000 3.244 2.882 3.448 . 0 0 "[ . 1 . 2 .]" 4
960 1 55 LEU MD1 1 68 TYR QE 0.000 . 3.500 2.555 2.017 2.754 . 0 0 "[ . 1 . 2 .]" 4
961 1 55 LEU MD1 1 83 SER HB3 0.000 . 5.000 2.333 1.823 2.833 . 0 0 "[ . 1 . 2 .]" 4
962 1 55 LEU MD2 1 68 TYR QD 0.000 . 5.000 2.414 1.848 2.872 . 0 0 "[ . 1 . 2 .]" 4
963 1 55 LEU MD2 1 68 TYR QE 0.000 . 3.500 2.008 1.844 2.311 . 0 0 "[ . 1 . 2 .]" 4
964 1 55 LEU MD2 1 83 SER H 0.000 . 6.000 5.319 4.980 5.623 . 0 0 "[ . 1 . 2 .]" 4
965 1 55 LEU MD2 1 83 SER HB3 0.000 . 5.000 4.231 3.550 5.009 0.009 4 0 "[ . 1 . 2 .]" 4
966 1 55 LEU MD2 1 84 ALA H 0.000 . 6.000 5.368 5.032 5.860 . 0 0 "[ . 1 . 2 .]" 4
967 1 56 CYS HA 1 85 CYS H 0.000 . 5.000 3.581 2.553 4.070 . 0 0 "[ . 1 . 2 .]" 4
968 1 56 CYS H 1 83 SER HB2 0.000 . 5.000 4.169 3.726 4.840 . 0 0 "[ . 1 . 2 .]" 4
969 1 56 CYS H 1 84 ALA HA 0.000 . 5.000 3.677 3.174 4.341 . 0 0 "[ . 1 . 2 .]" 4
970 1 56 CYS QB 1 62 HIS H 0.000 . 5.000 4.982 4.248 5.048 0.048 9 0 "[ . 1 . 2 .]" 4
971 1 57 ARG H 1 78 LEU MD1 0.000 . 5.000 4.664 4.215 5.038 0.038 18 0 "[ . 1 . 2 .]" 4
972 1 57 ARG H 1 78 LEU MD2 0.000 . 5.000 4.794 4.125 5.035 0.035 10 0 "[ . 1 . 2 .]" 4
973 1 57 ARG H 1 84 ALA HA 0.000 . 3.500 3.120 2.467 3.535 0.035 7 0 "[ . 1 . 2 .]" 4
974 1 57 ARG H 1 84 ALA MB 0.000 . 5.000 4.439 3.969 4.811 . 0 0 "[ . 1 . 2 .]" 4
975 1 57 ARG H 1 85 CYS H 0.000 . 5.000 3.613 2.966 4.234 . 0 0 "[ . 1 . 2 .]" 4
976 1 57 ARG HB3 1 84 ALA HA 0.000 . 3.500 3.539 3.510 3.567 0.067 25 0 "[ . 1 . 2 .]" 4
977 1 57 ARG HB2 1 85 CYS H 0.000 . 5.000 4.673 3.882 5.012 0.012 6 0 "[ . 1 . 2 .]" 4
978 1 57 ARG QD 1 85 CYS H 0.000 . 6.000 5.215 4.764 5.589 . 0 0 "[ . 1 . 2 .]" 4
979 1 58 GLY H 1 85 CYS HB2 0.000 . 5.000 3.302 2.210 4.850 . 0 0 "[ . 1 . 2 .]" 4
980 1 58 GLY HA3 1 85 CYS H 0.000 . 5.000 4.399 3.965 4.852 . 0 0 "[ . 1 . 2 .]" 4
981 1 58 GLY HA3 1 85 CYS HB2 0.000 . 5.000 3.298 2.702 3.984 . 0 0 "[ . 1 . 2 .]" 4
982 1 58 GLY HA2 1 85 CYS H 0.000 . 6.000 5.696 5.368 6.033 0.033 3 0 "[ . 1 . 2 .]" 4
983 1 58 GLY HA2 1 85 CYS HB2 0.000 . 5.000 4.719 4.037 5.026 0.026 16 0 "[ . 1 . 2 .]" 4
984 1 59 GLY H 1 85 CYS H 0.000 . 5.000 4.619 3.921 5.039 0.039 8 0 "[ . 1 . 2 .]" 4
985 1 59 GLY H 1 85 CYS HB3 0.000 . 6.000 5.000 3.478 5.974 . 0 0 "[ . 1 . 2 .]" 4
986 1 59 GLY H 1 85 CYS HB2 0.000 . 5.000 3.778 2.815 4.538 . 0 0 "[ . 1 . 2 .]" 4
987 1 59 GLY HA3 1 71 GLU H 0.000 . 5.000 3.808 3.266 4.541 . 0 0 "[ . 1 . 2 .]" 4
988 1 59 GLY HA3 1 72 CYS HA 0.000 . 2.800 2.345 1.983 2.831 0.031 8 0 "[ . 1 . 2 .]" 4
989 1 59 GLY HA3 1 72 CYS H 0.000 . 6.000 4.258 3.716 4.599 . 0 0 "[ . 1 . 2 .]" 4
990 1 59 GLY HA2 1 72 CYS HA 0.000 . 5.000 2.573 1.863 4.152 . 0 0 "[ . 1 . 2 .]" 4
991 1 60 VAL HA 1 71 GLU H 0.000 . 5.000 4.385 4.206 4.599 . 0 0 "[ . 1 . 2 .]" 4
992 1 60 VAL HB 1 71 GLU HA 0.000 . 5.000 4.639 4.237 5.006 0.006 18 0 "[ . 1 . 2 .]" 4
993 1 60 VAL HB 1 71 GLU H 0.000 . 5.000 3.125 2.759 3.829 . 0 0 "[ . 1 . 2 .]" 4
994 1 60 VAL HB 1 71 GLU HB2 0.000 . 3.500 3.011 2.105 3.536 0.036 22 0 "[ . 1 . 2 .]" 4
995 1 60 VAL H 1 70 CYS HA 0.000 . 5.000 3.960 3.611 4.488 . 0 0 "[ . 1 . 2 .]" 4
996 1 60 VAL H 1 70 CYS QB 0.000 . 5.000 4.952 4.619 5.045 0.045 8 0 "[ . 1 . 2 .]" 4
997 1 60 VAL H 1 71 GLU HA 0.000 . 5.000 4.199 3.985 4.453 . 0 0 "[ . 1 . 2 .]" 4
998 1 60 VAL H 1 71 GLU H 0.000 . 3.500 2.215 1.871 2.742 . 0 0 "[ . 1 . 2 .]" 4
999 1 60 VAL H 1 72 CYS HA 0.000 . 5.000 3.761 3.344 4.186 . 0 0 "[ . 1 . 2 .]" 4
1000 1 60 VAL MG1 1 69 ARG H 0.000 . 6.000 6.025 5.989 6.077 0.077 17 0 "[ . 1 . 2 .]" 4
1001 1 60 VAL MG1 1 71 GLU H 0.000 . 5.000 3.884 3.571 4.150 . 0 0 "[ . 1 . 2 .]" 4
1002 1 60 VAL MG1 1 71 GLU HB2 0.000 . 5.000 3.723 3.025 4.539 . 0 0 "[ . 1 . 2 .]" 4
1003 1 60 VAL MG2 1 71 GLU H 0.000 . 5.000 4.364 3.886 5.003 0.003 8 0 "[ . 1 . 2 .]" 4
1004 1 60 VAL MG2 1 71 GLU HB2 0.000 . 5.000 4.355 3.508 4.879 . 0 0 "[ . 1 . 2 .]" 4
1005 1 61 CYS HA 1 69 ARG H 0.000 . 5.000 4.797 4.569 5.040 0.040 14 0 "[ . 1 . 2 .]" 4
1006 1 61 CYS HA 1 70 CYS HA 0.000 . 3.500 2.902 2.600 3.502 0.002 15 0 "[ . 1 . 2 .]" 4
1007 1 61 CYS HA 1 70 CYS H 0.000 . 6.000 5.226 4.953 5.800 . 0 0 "[ . 1 . 2 .]" 4
1008 1 61 CYS HA 1 71 GLU H 0.000 . 5.000 4.073 3.354 4.551 . 0 0 "[ . 1 . 2 .]" 4
1009 1 61 CYS H 1 70 CYS HA 0.000 . 6.000 5.012 4.836 5.337 . 0 0 "[ . 1 . 2 .]" 4
1010 1 61 CYS H 1 71 GLU H 0.000 . 6.000 4.927 4.690 5.241 . 0 0 "[ . 1 . 2 .]" 4
1011 1 62 HIS H 1 68 TYR HB2 0.000 . 6.000 4.558 4.124 4.977 . 0 0 "[ . 1 . 2 .]" 4
1012 1 62 HIS H 1 69 ARG HA 0.000 . 5.000 4.778 4.590 4.990 . 0 0 "[ . 1 . 2 .]" 4
1013 1 62 HIS H 1 69 ARG QB 0.000 . 5.000 3.501 3.071 3.870 . 0 0 "[ . 1 . 2 .]" 4
1014 1 62 HIS H 1 69 ARG QG 0.000 . 5.000 4.172 3.923 4.432 . 0 0 "[ . 1 . 2 .]" 4
1015 1 62 HIS H 1 70 CYS HA 0.000 . 5.000 3.255 3.014 3.442 . 0 0 "[ . 1 . 2 .]" 4
1016 1 62 HIS H 1 71 GLU H 0.000 . 5.000 4.380 3.674 4.837 . 0 0 "[ . 1 . 2 .]" 4
1017 1 62 HIS H 1 71 GLU HB3 0.000 . 6.000 5.987 5.566 6.120 0.120 16 0 "[ . 1 . 2 .]" 4
1018 1 62 HIS QB 1 71 GLU H 0.000 . 6.000 5.541 4.957 6.016 0.016 5 0 "[ . 1 . 2 .]" 4
1019 1 62 HIS HB3 1 69 ARG QG 0.000 . 5.000 3.104 2.415 4.305 . 0 0 "[ . 1 . 2 .]" 4
1020 1 62 HIS HE1 1 69 ARG QB 0.000 . 5.000 4.578 3.875 4.898 . 0 0 "[ . 1 . 2 .]" 4
1021 1 62 HIS HE1 1 69 ARG QG 0.000 . 6.000 6.020 5.972 6.106 0.106 16 0 "[ . 1 . 2 .]" 4
1022 1 62 HIS HE1 1 71 GLU HA 0.000 . 5.000 4.444 3.426 4.901 . 0 0 "[ . 1 . 2 .]" 4
1023 1 62 HIS HE1 1 71 GLU H 0.000 . 5.000 3.884 2.099 4.387 . 0 0 "[ . 1 . 2 .]" 4
1024 1 62 HIS HE1 1 71 GLU HB3 0.000 . 2.800 2.378 1.862 2.824 0.024 8 0 "[ . 1 . 2 .]" 4
1025 1 63 ASN HA 1 68 TYR HA 0.000 . 2.800 2.456 2.246 2.802 0.002 3 0 "[ . 1 . 2 .]" 4
1026 1 63 ASN HA 1 68 TYR H 0.000 . 5.000 4.958 4.797 5.044 0.044 8 0 "[ . 1 . 2 .]" 4
1027 1 63 ASN HA 1 68 TYR QD 0.000 . 5.000 3.867 3.615 4.140 . 0 0 "[ . 1 . 2 .]" 4
1028 1 63 ASN HA 1 69 ARG H 0.000 . 3.500 3.299 3.048 3.505 0.005 3 0 "[ . 1 . 2 .]" 4
1029 1 63 ASN H 1 69 ARG QG 0.000 . 6.000 5.043 4.778 5.413 . 0 0 "[ . 1 . 2 .]" 4
1030 1 64 THR HB 1 69 ARG HG3 0.000 . 5.000 4.813 4.214 5.023 0.023 8 0 "[ . 1 . 2 .]" 4
1031 1 64 THR HB 1 69 ARG HG2 0.000 . 5.000 4.537 3.806 5.023 0.023 16 0 "[ . 1 . 2 .]" 4
1032 1 64 THR H 1 69 ARG H 0.000 . 3.500 3.504 3.374 3.543 0.043 8 0 "[ . 1 . 2 .]" 4
1033 1 64 THR H 1 69 ARG QB 0.000 . 6.000 5.686 5.506 5.796 . 0 0 "[ . 1 . 2 .]" 4
1034 1 64 THR H 1 69 ARG QG 0.000 . 5.000 3.823 3.590 4.038 . 0 0 "[ . 1 . 2 .]" 4
1035 1 64 THR MG 1 69 ARG H 0.000 . 3.500 2.557 2.343 2.697 . 0 0 "[ . 1 . 2 .]" 4
1036 1 64 THR MG 1 69 ARG QB 0.000 . 3.500 3.513 3.436 3.548 0.048 2 0 "[ . 1 . 2 .]" 4
1037 1 64 THR MG 1 69 ARG HD3 0.000 . 5.000 2.058 1.719 3.335 . 0 0 "[ . 1 . 2 .]" 4
1038 1 64 THR MG 1 69 ARG HD2 0.000 . 5.000 2.781 1.939 3.337 . 0 0 "[ . 1 . 2 .]" 4
1039 1 64 THR MG 1 69 ARG QG 0.000 . 3.500 1.786 1.740 1.850 . 0 0 "[ . 1 . 2 .]" 4
1040 1 68 TYR HB3 1 81 ASN HD21 0.000 . 5.000 4.964 4.730 5.046 0.046 8 0 "[ . 1 . 2 .]" 4
1041 1 68 TYR HB3 1 81 ASN HD22 0.000 . 5.000 5.030 5.006 5.071 0.071 3 0 "[ . 1 . 2 .]" 4
1042 1 68 TYR QE 1 83 SER HB3 0.000 . 5.000 4.158 3.621 4.669 . 0 0 "[ . 1 . 2 .]" 4
1043 1 70 CYS H 1 78 LEU MD1 0.000 . 5.000 4.951 4.544 5.086 0.086 11 0 "[ . 1 . 2 .]" 4
1044 1 70 CYS H 1 78 LEU MD2 0.000 . 5.000 4.375 4.102 4.949 . 0 0 "[ . 1 . 2 .]" 4
1045 1 70 CYS QB 1 82 ILE H 0.000 . 5.000 4.816 3.699 5.053 0.053 15 0 "[ . 1 . 2 .]" 4
1046 1 70 CYS HB3 1 78 LEU MD1 0.000 . 3.500 2.517 1.930 2.679 . 0 0 "[ . 1 . 2 .]" 4
1047 1 70 CYS HB3 1 78 LEU MD2 0.000 . 5.000 2.241 1.825 3.262 . 0 0 "[ . 1 . 2 .]" 4
1048 1 70 CYS HB2 1 78 LEU MD1 0.000 . 5.000 3.347 2.804 3.644 . 0 0 "[ . 1 . 2 .]" 4
1049 1 70 CYS HB2 1 78 LEU MD2 0.000 . 5.000 3.446 3.199 4.029 . 0 0 "[ . 1 . 2 .]" 4
1050 1 70 CYS HB2 1 81 ASN HD21 0.000 . 5.000 4.853 4.353 5.019 0.019 11 0 "[ . 1 . 2 .]" 4
1051 1 70 CYS HB2 1 81 ASN HD22 0.000 . 6.000 5.572 5.001 5.881 . 0 0 "[ . 1 . 2 .]" 4
1052 1 72 CYS H 1 77 GLN H 0.000 . 6.000 6.065 6.013 6.155 0.155 13 0 "[ . 1 . 2 .]" 4
1053 1 72 CYS H 1 78 LEU HG 0.000 . 6.000 4.322 3.591 4.820 . 0 0 "[ . 1 . 2 .]" 4
1054 1 72 CYS HB2 1 78 LEU H 0.000 . 6.000 3.550 3.157 4.044 . 0 0 "[ . 1 . 2 .]" 4
1055 1 76 HIS HB3 1 86 ILE H 0.000 . 5.000 3.682 3.102 4.100 . 0 0 "[ . 1 . 2 .]" 4
1056 1 77 GLN HA 1 86 ILE H 0.000 . 5.000 4.423 4.170 4.693 . 0 0 "[ . 1 . 2 .]" 4
1057 1 77 GLN H 1 85 CYS HB3 0.000 . 6.000 4.941 4.169 6.070 0.070 8 0 "[ . 1 . 2 .]" 4
1058 1 77 GLN H 1 86 ILE H 0.000 . 2.800 2.823 2.789 2.851 0.051 9 0 "[ . 1 . 2 .]" 4
1059 1 77 GLN H 1 86 ILE HG13 0.000 . 6.000 4.978 4.551 5.412 . 0 0 "[ . 1 . 2 .]" 4
1060 1 77 GLN H 1 86 ILE HG12 0.000 . 6.000 5.907 5.536 6.032 0.032 13 0 "[ . 1 . 2 .]" 4
1061 1 77 GLN H 1 86 ILE MG 0.000 . 5.000 4.893 4.231 5.047 0.047 3 0 "[ . 1 . 2 .]" 4
1062 1 77 GLN HE21 1 86 ILE HG12 0.000 . 6.000 5.150 3.903 5.815 . 0 0 "[ . 1 . 2 .]" 4
1063 1 77 GLN HE22 1 86 ILE HG12 0.000 . 6.000 5.723 4.062 6.048 0.048 19 0 "[ . 1 . 2 .]" 4
1064 1 77 GLN HE22 1 86 ILE MG 0.000 . 6.000 3.592 2.154 5.795 . 0 0 "[ . 1 . 2 .]" 4
1065 1 78 LEU HA 1 85 CYS HA 0.000 . 2.800 1.837 1.720 2.105 . 0 0 "[ . 1 . 2 .]" 4
1066 1 78 LEU HA 1 86 ILE H 0.000 . 5.000 2.550 2.168 3.025 . 0 0 "[ . 1 . 2 .]" 4
1067 1 78 LEU HA 1 86 ILE HG13 0.000 . 5.000 3.155 2.499 4.116 . 0 0 "[ . 1 . 2 .]" 4
1068 1 78 LEU HG 1 84 ALA H 0.000 . 5.000 4.947 4.577 5.043 0.043 13 0 "[ . 1 . 2 .]" 4
1069 1 78 LEU HG 1 85 CYS HA 0.000 . 5.000 4.370 4.079 4.884 . 0 0 "[ . 1 . 2 .]" 4
1070 1 78 LEU H 1 86 ILE HG13 0.000 . 6.000 5.106 4.703 6.015 0.015 14 0 "[ . 1 . 2 .]" 4
1071 1 78 LEU HB3 1 85 CYS HA 0.000 . 5.000 4.164 3.791 4.600 . 0 0 "[ . 1 . 2 .]" 4
1072 1 78 LEU HB2 1 85 CYS H 0.000 . 5.000 5.026 4.721 5.083 0.083 16 0 "[ . 1 . 2 .]" 4
1073 1 78 LEU MD2 1 85 CYS HA 0.000 . 5.000 3.184 2.613 3.857 . 0 0 "[ . 1 . 2 .]" 4
1074 1 78 LEU MD2 1 85 CYS HB2 0.000 . 5.000 3.126 2.043 3.781 . 0 0 "[ . 1 . 2 .]" 4
1075 1 79 SER HA 1 86 ILE HG13 0.000 . 5.000 4.859 3.827 5.048 0.048 3 0 "[ . 1 . 2 .]" 4
1076 1 79 SER H 1 84 ALA H 0.000 . 5.000 4.197 3.726 5.009 0.009 12 0 "[ . 1 . 2 .]" 4
1077 1 79 SER H 1 84 ALA MB 0.000 . 6.000 4.518 4.099 5.116 . 0 0 "[ . 1 . 2 .]" 4
1078 1 79 SER H 1 86 ILE HB 0.000 . 6.000 4.890 3.598 5.935 . 0 0 "[ . 1 . 2 .]" 4
1079 1 79 SER HB3 1 84 ALA H 0.000 . 5.000 4.560 3.611 5.050 0.050 7 0 "[ . 1 . 2 .]" 4
1080 1 79 SER HB3 1 84 ALA MB 0.000 . 5.000 4.206 3.320 5.005 0.005 18 0 "[ . 1 . 2 .]" 4
1081 1 79 SER HB3 1 86 ILE HG13 0.000 . 5.000 4.443 2.675 5.065 0.065 9 0 "[ . 1 . 2 .]" 4
1082 1 79 SER HB2 1 84 ALA MB 0.000 . 5.000 4.636 3.434 5.034 0.034 18 0 "[ . 1 . 2 .]" 4
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