NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
495641 |
2l75   |
17344 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l75
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 796
_Distance_constraint_stats_list.Viol_count 1497
_Distance_constraint_stats_list.Viol_total 2697.479
_Distance_constraint_stats_list.Viol_max 0.993
_Distance_constraint_stats_list.Viol_rms 0.0423
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.0901
_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 7 HIS 1.025 0.161 6 0 "[ . 1 . 2]"
1 8 HIS 4.509 0.267 8 0 "[ . 1 . 2]"
1 9 MET 6.810 0.758 15 5 "[ ** * 1 + - 2]"
1 10 GLU 4.019 0.431 2 0 "[ . 1 . 2]"
1 11 PHE 9.757 0.397 3 0 "[ . 1 . 2]"
1 12 CYS 1.762 0.126 19 0 "[ . 1 . 2]"
1 13 ARG 1.592 0.338 19 0 "[ . 1 . 2]"
1 14 VAL 7.629 0.187 10 0 "[ . 1 . 2]"
1 15 CYS 9.848 0.303 12 0 "[ . 1 . 2]"
1 16 LYS 8.071 0.507 2 1 "[ + . 1 . 2]"
1 17 ASP 2.959 0.260 6 0 "[ . 1 . 2]"
1 18 GLY 1.713 0.140 4 0 "[ . 1 . 2]"
1 19 GLY 1.022 0.108 4 0 "[ . 1 . 2]"
1 20 GLU 1.115 0.361 5 0 "[ . 1 . 2]"
1 21 LEU 8.802 0.213 8 0 "[ . 1 . 2]"
1 22 LEU 13.322 0.267 8 0 "[ . 1 . 2]"
1 23 CYS 1.735 0.116 8 0 "[ . 1 . 2]"
1 24 CYS 3.466 0.194 9 0 "[ . 1 . 2]"
1 25 ASP 2.797 0.157 13 0 "[ . 1 . 2]"
1 26 THR 1.220 0.232 18 0 "[ . 1 . 2]"
1 27 CYS 3.198 0.134 7 0 "[ . 1 . 2]"
1 28 PRO 3.417 0.137 15 0 "[ . 1 . 2]"
1 29 SER 1.958 0.163 8 0 "[ . 1 . 2]"
1 30 SER 1.541 0.338 19 0 "[ . 1 . 2]"
1 31 TYR 5.777 0.208 6 0 "[ . 1 . 2]"
1 32 HIS 3.930 0.155 19 0 "[ . 1 . 2]"
1 33 ILE 7.448 0.195 13 0 "[ . 1 . 2]"
1 34 HIS 1.233 0.096 11 0 "[ . 1 . 2]"
1 35 CYS 8.074 0.206 3 0 "[ . 1 . 2]"
1 36 LEU 8.799 0.448 5 0 "[ . 1 . 2]"
1 37 ASN 12.692 0.448 5 0 "[ . 1 . 2]"
1 38 PRO 7.563 0.402 5 0 "[ . 1 . 2]"
1 39 PRO 1.590 0.238 14 0 "[ . 1 . 2]"
1 40 LEU 2.816 0.195 13 0 "[ . 1 . 2]"
1 41 PRO 0.195 0.063 20 0 "[ . 1 . 2]"
1 42 GLU 3.879 0.993 4 3 "[ +- 1 * . 2]"
1 43 ILE 10.006 0.993 4 3 "[ +- 1 * . 2]"
1 44 PRO 4.567 0.142 20 0 "[ . 1 . 2]"
1 45 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 4.314 0.247 10 0 "[ . 1 . 2]"
1 48 TRP 16.262 0.228 18 0 "[ . 1 . 2]"
1 49 LEU 5.597 0.232 18 0 "[ . 1 . 2]"
1 50 CYS 10.325 0.987 4 3 "[ * +. 1 - 2]"
1 51 PRO 4.554 0.413 6 0 "[ . 1 . 2]"
1 52 ARG 10.434 0.987 4 3 "[ * +. 1 - 2]"
1 53 CYS 5.599 0.495 11 0 "[ . 1 . 2]"
1 54 THR 3.010 0.402 4 0 "[ . 1 . 2]"
1 55 CYS 5.091 0.650 18 2 "[ . - 1 . + 2]"
1 56 PRO 3.684 0.650 18 2 "[ . - 1 . + 2]"
1 57 ALA 0.096 0.036 11 0 "[ . 1 . 2]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 ARG 0.703 0.371 10 0 "[ . 1 . 2]"
2 3 THR 0.703 0.371 10 0 "[ . 1 . 2]"
2 4 LYS 3.116 0.336 1 0 "[ . 1 . 2]"
2 5 GLN 3.217 0.336 1 0 "[ . 1 . 2]"
2 6 THR 0.971 0.099 7 0 "[ . 1 . 2]"
2 7 ALA 1.430 0.893 17 1 "[ . 1 . + 2]"
2 8 ARG 0.893 0.893 17 1 "[ . 1 . + 2]"
2 9 . 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 14 VAL MG2 1 40 LEU QD 3.313 . 6.000 5.844 5.725 6.011 0.011 2 0 "[ . 1 . 2]" 1
2 1 36 LEU HB2 1 48 TRP HE1 3.637 . 5.291 4.164 4.017 4.313 . 0 0 "[ . 1 . 2]" 1
3 1 11 PHE HA 1 13 ARG H 4.052 . 6.104 4.991 4.814 5.187 . 0 0 "[ . 1 . 2]" 1
4 1 11 PHE H 1 11 PHE QE 3.201 . 4.482 4.462 4.374 4.531 0.049 14 0 "[ . 1 . 2]" 1
5 1 31 TYR QD 1 36 LEU H 3.015 . 4.152 3.859 3.683 4.016 . 0 0 "[ . 1 . 2]" 1
6 1 31 TYR QE 1 48 TRP HZ3 2.708 . 6.000 5.282 4.989 5.458 . 0 0 "[ . 1 . 2]" 1
7 1 31 TYR QE 1 50 CYS HA 2.643 . 6.000 4.515 4.287 4.641 . 0 0 "[ . 1 . 2]" 1
8 1 22 LEU QD 1 22 LEU HG 2.216 . 2.830 1.823 1.793 1.844 . 0 0 "[ . 1 . 2]" 1
9 1 8 HIS HD2 1 24 CYS HB2 2.671 . 6.000 4.331 3.907 4.741 . 0 0 "[ . 1 . 2]" 1
10 1 44 PRO QG 1 48 TRP HE1 3.518 . 5.065 3.563 3.418 3.638 . 0 0 "[ . 1 . 2]" 1
11 1 12 CYS HA 1 31 TYR H 3.328 . 4.713 3.859 3.702 3.957 . 0 0 "[ . 1 . 2]" 1
12 1 21 LEU HB2 1 31 TYR H 3.022 . 4.164 3.618 3.337 3.745 . 0 0 "[ . 1 . 2]" 1
13 1 11 PHE HA 1 18 GLY H 2.751 . 3.697 3.781 3.693 3.837 0.140 4 0 "[ . 1 . 2]" 1
14 1 33 ILE H 1 36 LEU HB2 4.524 . 7.082 4.686 4.386 4.922 . 0 0 "[ . 1 . 2]" 1
15 1 33 ILE H 1 40 LEU HB3 3.834 . 5.672 5.775 5.627 5.867 0.195 13 0 "[ . 1 . 2]" 1
16 1 25 ASP H 1 49 LEU HB3 3.507 . 5.044 4.211 3.944 4.436 . 0 0 "[ . 1 . 2]" 1
17 1 22 LEU H 1 48 TRP HZ2 3.683 . 5.378 5.070 4.984 5.138 . 0 0 "[ . 1 . 2]" 1
18 1 22 LEU H 1 35 CYS H 3.883 . 5.767 5.917 5.860 5.973 0.206 3 0 "[ . 1 . 2]" 1
19 1 11 PHE QD 1 14 VAL H 3.629 . 5.275 4.362 4.223 4.643 . 0 0 "[ . 1 . 2]" 1
20 1 12 CYS HA 1 14 VAL H 2.627 . 3.490 3.204 3.132 3.269 . 0 0 "[ . 1 . 2]" 1
21 1 12 CYS HB3 1 14 VAL H 2.816 . 3.807 3.744 3.684 3.859 0.052 6 0 "[ . 1 . 2]" 1
22 1 13 ARG QG 1 14 VAL H 3.354 . 4.760 3.605 3.348 3.905 . 0 0 "[ . 1 . 2]" 1
23 1 11 PHE QD 1 13 ARG H 3.613 . 5.244 3.951 3.768 4.145 . 0 0 "[ . 1 . 2]" 1
24 1 8 HIS QB 1 24 CYS H 2.792 . 6.000 4.086 3.862 4.270 . 0 0 "[ . 1 . 2]" 1
25 1 24 CYS H 1 30 SER QB 3.529 . 6.000 4.902 4.404 5.199 . 0 0 "[ . 1 . 2]" 1
26 1 11 PHE HB3 1 17 ASP H 3.139 . 4.371 3.924 3.470 4.080 . 0 0 "[ . 1 . 2]" 1
27 1 33 ILE MG 1 43 ILE H 3.416 . 4.875 3.114 2.893 3.224 . 0 0 "[ . 1 . 2]" 1
28 1 16 LYS HG2 1 17 ASP H 3.694 . 5.400 3.903 3.563 4.150 . 0 0 "[ . 1 . 2]" 1
29 1 46 GLY HA2 1 47 GLU H 2.260 . 2.898 2.543 2.343 2.661 . 0 0 "[ . 1 . 2]" 1
30 1 43 ILE MG 1 45 ASN HD21 4.241 . 6.489 4.648 4.000 5.138 . 0 0 "[ . 1 . 2]" 1
31 1 51 PRO QG 1 54 THR H 4.223 . 6.453 4.795 4.508 5.030 . 0 0 "[ . 1 . 2]" 1
32 1 42 GLU HA 1 43 ILE MD 2.742 . 3.682 3.351 3.077 3.548 . 0 0 "[ . 1 . 2]" 1
33 1 22 LEU QD 1 43 ILE MD 2.853 . 3.525 2.352 2.061 2.745 . 0 0 "[ . 1 . 2]" 1
34 1 12 CYS HB2 1 21 LEU QD 2.346 . 3.034 2.110 1.735 2.461 . 0 0 "[ . 1 . 2]" 1
35 1 18 GLY HA2 1 21 LEU QD 2.468 . 3.159 2.072 1.853 2.284 . 0 0 "[ . 1 . 2]" 1
36 1 33 ILE MD 1 43 ILE HB 2.499 . 6.000 4.990 4.811 5.291 . 0 0 "[ . 1 . 2]" 1
37 1 33 ILE MD 1 42 GLU HA 2.264 . 2.905 2.240 1.623 2.628 . 15 0 "[ . 1 . 2]" 1
38 1 22 LEU QD 1 43 ILE MG . . 2.445 1.598 1.504 1.709 0.254 5 0 "[ . 1 . 2]" 1
39 1 42 GLU HA 1 43 ILE MG 2.612 . 6.000 5.465 5.416 5.534 . 0 0 "[ . 1 . 2]" 1
40 1 33 ILE MG 1 40 LEU HB2 2.002 . 2.503 2.384 2.175 2.539 0.036 15 0 "[ . 1 . 2]" 1
41 1 33 ILE MG 1 43 ILE HB 2.527 . 6.000 4.565 4.352 4.691 . 0 0 "[ . 1 . 2]" 1
42 1 14 VAL MG2 1 35 CYS HB3 2.403 . 3.125 2.012 1.853 2.129 . 0 0 "[ . 1 . 2]" 1
43 1 14 VAL MG2 1 35 CYS HB2 2.380 . 3.088 2.638 2.499 2.762 . 0 0 "[ . 1 . 2]" 1
44 1 14 VAL MG2 1 15 CYS HB2 3.279 . 6.000 5.641 5.440 6.084 0.084 19 0 "[ . 1 . 2]" 1
45 1 14 VAL MG2 1 31 TYR QD 2.961 . 6.000 2.536 2.424 2.678 . 0 0 "[ . 1 . 2]" 1
46 1 14 VAL MG2 1 31 TYR HA 3.216 . 4.509 3.540 3.125 3.857 . 0 0 "[ . 1 . 2]" 1
47 1 14 VAL MG1 1 35 CYS HB3 2.481 . 3.250 2.163 2.044 2.292 . 0 0 "[ . 1 . 2]" 1
48 1 14 VAL MG1 1 35 CYS HB2 2.403 . 6.000 3.688 3.601 3.789 . 0 0 "[ . 1 . 2]" 1
49 1 11 PHE HA 1 21 LEU QD 2.387 . 3.029 2.153 1.987 2.336 . 0 0 "[ . 1 . 2]" 1
50 1 22 LEU QD 1 23 CYS HB3 2.436 . 6.000 4.507 3.901 5.435 . 0 0 "[ . 1 . 2]" 1
51 1 22 LEU QD 1 43 ILE HG12 2.015 . 6.000 4.405 4.206 4.642 . 0 0 "[ . 1 . 2]" 1
52 1 22 LEU QD 1 44 PRO HG2 2.414 . 3.112 2.146 1.969 2.275 . 0 0 "[ . 1 . 2]" 1
53 1 33 ILE HA 1 36 LEU MD2 3.030 . 4.178 4.167 4.055 4.221 0.043 18 0 "[ . 1 . 2]" 1
54 1 22 LEU QD 1 36 LEU MD1 2.601 . 3.447 1.906 1.737 2.052 0.018 15 0 "[ . 1 . 2]" 1
55 1 22 LEU QD 1 40 LEU QD 2.232 . 2.855 2.380 2.215 2.523 . 0 0 "[ . 1 . 2]" 1
56 1 36 LEU HG 1 40 LEU QD 2.038 . 6.000 4.118 3.799 4.324 . 0 0 "[ . 1 . 2]" 1
57 1 40 LEU QD 1 44 PRO HB3 2.839 . 3.847 3.264 2.874 3.828 . 0 0 "[ . 1 . 2]" 1
58 1 33 ILE HA 1 40 LEU QD 2.407 . 2.972 2.863 2.721 3.015 0.043 7 0 "[ . 1 . 2]" 1
59 1 47 GLU HB3 1 49 LEU QD 2.637 . 3.506 3.488 3.411 3.554 0.048 10 0 "[ . 1 . 2]" 1
60 1 47 GLU HG2 1 49 LEU QD 2.611 . 3.463 2.190 1.970 2.533 . 0 0 "[ . 1 . 2]" 1
61 1 49 LEU QD 1 53 CYS HB3 3.006 . 3.972 3.034 2.665 3.408 . 0 0 "[ . 1 . 2]" 1
62 1 26 THR HA 1 49 LEU QD 2.444 . 6.000 3.878 3.774 4.049 . 0 0 "[ . 1 . 2]" 1
63 1 26 THR MG 1 49 LEU QD 2.061 . 2.592 1.713 1.591 1.788 0.103 3 0 "[ . 1 . 2]" 1
64 1 26 THR MG 1 49 LEU HG 2.709 . 3.626 3.133 2.608 3.858 0.232 18 0 "[ . 1 . 2]" 1
65 1 49 LEU HG 1 54 THR MG 2.858 . 6.000 4.688 3.849 5.950 . 0 0 "[ . 1 . 2]" 1
66 1 9 MET ME 1 29 SER HA 2.946 . 4.031 3.878 3.274 4.194 0.163 8 0 "[ . 1 . 2]" 1
67 1 14 VAL HB 1 35 CYS HB2 2.377 . 3.083 3.199 3.110 3.261 0.178 13 0 "[ . 1 . 2]" 1
68 1 14 VAL HB 1 35 CYS HB3 2.335 . 3.016 2.391 2.026 2.579 . 0 0 "[ . 1 . 2]" 1
69 1 26 THR HB 1 49 LEU QD 2.912 . 3.972 3.604 2.668 3.698 . 0 0 "[ . 1 . 2]" 1
70 1 33 ILE HA 1 36 LEU HG 2.563 . 3.384 2.951 2.868 3.027 . 0 0 "[ . 1 . 2]" 1
71 1 33 ILE HA 1 40 LEU HB2 2.303 . 6.000 3.416 3.247 3.575 . 0 0 "[ . 1 . 2]" 1
72 1 51 PRO HA 1 54 THR MG 2.400 . 3.120 2.743 1.968 3.198 0.078 2 0 "[ . 1 . 2]" 1
73 1 8 HIS HA 1 28 PRO HA 2.293 . 2.950 2.736 2.119 3.032 0.082 14 0 "[ . 1 . 2]" 1
74 1 27 CYS HB2 1 28 PRO HA 2.693 . 6.000 5.273 5.211 5.395 . 0 0 "[ . 1 . 2]" 1
75 1 27 CYS HB3 1 28 PRO HA 2.666 . 6.000 6.085 6.052 6.121 0.121 14 0 "[ . 1 . 2]" 1
76 1 53 CYS HB3 1 54 THR HA 2.358 . 6.000 4.494 4.348 4.646 . 0 0 "[ . 1 . 2]" 1
77 1 53 CYS HB2 1 54 THR HA 2.232 . 6.000 4.492 4.169 4.640 . 0 0 "[ . 1 . 2]" 1
78 1 49 LEU QD 1 54 THR HA 2.636 . 6.000 3.994 3.354 4.584 . 0 0 "[ . 1 . 2]" 1
79 1 9 MET HG3 1 29 SER HA 2.569 . 3.394 2.870 1.936 3.438 0.044 9 0 "[ . 1 . 2]" 1
80 1 14 VAL HB 1 35 CYS HA 2.815 . 6.000 4.748 4.405 4.918 . 0 0 "[ . 1 . 2]" 1
81 1 14 VAL MG2 1 35 CYS HA 2.956 . 4.048 3.798 3.629 4.043 . 0 0 "[ . 1 . 2]" 1
82 1 14 VAL MG1 1 35 CYS HA 1.901 . 6.000 3.559 3.297 3.777 . 0 0 "[ . 1 . 2]" 1
83 1 48 TRP HA 1 49 LEU QD 2.905 . 3.960 3.137 3.015 3.785 . 0 0 "[ . 1 . 2]" 1
84 1 25 ASP HA 1 49 LEU QD 2.502 . 6.000 4.190 3.975 4.388 . 0 0 "[ . 1 . 2]" 1
85 1 11 PHE QD 1 13 ARG HA 2.763 . 3.717 3.466 3.179 3.688 . 0 0 "[ . 1 . 2]" 1
86 1 27 CYS HA 1 28 PRO HD3 2.266 . 2.908 2.132 1.759 2.294 . 0 0 "[ . 1 . 2]" 1
87 1 43 ILE HA 1 44 PRO HG2 2.057 . 6.000 4.351 4.299 4.409 . 0 0 "[ . 1 . 2]" 1
88 1 22 LEU QD 1 43 ILE HA 2.646 . 3.521 2.725 2.625 2.867 . 0 0 "[ . 1 . 2]" 1
89 1 12 CYS HA 1 21 LEU QD . . 3.007 2.634 2.302 2.840 . 0 0 "[ . 1 . 2]" 1
90 1 21 LEU QD 1 32 HIS HA 2.573 . 3.401 3.492 3.395 3.556 0.155 19 0 "[ . 1 . 2]" 1
91 1 8 HIS HA 1 28 PRO HB3 2.483 . 3.253 2.722 2.052 3.343 0.090 6 0 "[ . 1 . 2]" 1
92 1 50 CYS HA 1 52 ARG HB2 2.510 . 6.000 6.043 5.668 6.987 0.987 4 3 "[ * +. 1 - 2]" 1
93 1 36 LEU MD2 1 50 CYS HA 2.581 . 3.414 3.205 3.029 3.365 . 0 0 "[ . 1 . 2]" 1
94 1 48 TRP HH2 1 50 CYS HA 2.530 . 3.330 2.561 2.514 2.650 . 0 0 "[ . 1 . 2]" 1
95 1 31 TYR QE 1 50 CYS HA 2.987 . 6.000 5.367 4.786 5.643 . 0 0 "[ . 1 . 2]" 1
96 1 25 ASP QB 1 47 GLU HA 2.775 . 3.737 3.368 2.915 3.620 . 0 0 "[ . 1 . 2]" 1
97 1 36 LEU HA 1 48 TRP HZ2 3.279 . 4.623 4.719 4.660 4.775 0.152 6 0 "[ . 1 . 2]" 1
98 1 10 GLU HA 1 11 PHE HA 2.464 . 6.000 4.302 4.242 4.360 . 0 0 "[ . 1 . 2]" 1
99 1 21 LEU HA 1 30 SER QB 3.059 . 4.229 3.997 3.850 4.112 . 0 0 "[ . 1 . 2]" 1
100 1 21 LEU HA 1 32 HIS HA 2.621 . 3.480 3.166 2.996 3.275 . 0 0 "[ . 1 . 2]" 1
101 1 33 ILE HB 1 40 LEU HA 2.374 . 6.000 4.172 4.079 4.295 . 0 0 "[ . 1 . 2]" 1
102 1 37 ASN HA 1 38 PRO HB2 2.814 . 6.000 6.294 5.397 6.402 0.402 5 0 "[ . 1 . 2]" 1
103 1 12 CYS HA 1 31 TYR HA 2.358 . 3.053 2.514 2.245 2.824 . 0 0 "[ . 1 . 2]" 1
104 1 12 CYS HB3 1 31 TYR HA 2.566 . 6.000 4.236 3.886 4.424 . 0 0 "[ . 1 . 2]" 1
105 1 31 TYR HA 1 36 LEU MD2 3.440 . 4.919 4.561 4.349 4.766 . 0 0 "[ . 1 . 2]" 1
106 1 21 LEU HB2 1 30 SER HA 2.640 . 6.000 3.949 3.561 4.341 . 0 0 "[ . 1 . 2]" 1
107 1 33 ILE HB 1 40 LEU HB2 2.104 . 2.657 1.710 1.511 1.865 0.040 2 0 "[ . 1 . 2]" 1
108 1 33 ILE HB 1 40 LEU QD 2.240 . 6.000 2.956 2.601 3.095 . 0 0 "[ . 1 . 2]" 1
109 1 22 LEU QD 1 33 ILE HB 2.246 . 6.000 3.872 3.755 3.954 . 0 0 "[ . 1 . 2]" 1
110 1 48 TRP HE1 1 49 LEU H 3.642 . 5.300 4.611 4.314 4.712 . 0 0 "[ . 1 . 2]" 1
111 1 22 LEU QD 1 48 TRP HE1 3.129 . 4.352 3.070 2.980 3.229 . 0 0 "[ . 1 . 2]" 1
112 1 40 LEU QD 1 48 TRP HE1 2.548 . 3.360 2.633 2.317 3.043 . 0 0 "[ . 1 . 2]" 1
113 1 48 TRP HA 1 48 TRP HE1 3.066 . 6.000 5.098 4.982 5.207 . 0 0 "[ . 1 . 2]" 1
114 1 24 CYS H 1 25 ASP H 3.410 . 4.864 4.504 4.423 4.546 . 0 0 "[ . 1 . 2]" 1
115 1 25 ASP H 1 27 CYS H 3.587 . 5.195 4.276 4.136 4.354 . 0 0 "[ . 1 . 2]" 1
116 1 25 ASP H 1 48 TRP HE3 2.919 . 3.984 3.281 3.157 3.417 . 0 0 "[ . 1 . 2]" 1
117 1 25 ASP H 1 48 TRP HZ3 3.248 . 4.567 4.615 4.478 4.724 0.157 13 0 "[ . 1 . 2]" 1
118 1 25 ASP H 1 25 ASP HA 2.874 . 3.907 2.811 2.767 2.842 . 0 0 "[ . 1 . 2]" 1
119 1 24 CYS HA 1 25 ASP H 2.359 . 3.054 2.131 2.098 2.161 . 0 0 "[ . 1 . 2]" 1
120 1 25 ASP H 1 47 GLU HA 3.764 . 5.535 5.161 4.957 5.409 . 0 0 "[ . 1 . 2]" 1
121 1 24 CYS HB2 1 25 ASP H 3.568 . 5.159 4.281 4.203 4.349 . 0 0 "[ . 1 . 2]" 1
122 1 25 ASP H 1 25 ASP QB 2.264 . 2.905 2.271 2.183 2.361 . 0 0 "[ . 1 . 2]" 1
123 1 25 ASP H 1 49 LEU HG 4.178 . 6.360 5.428 3.925 5.901 . 0 0 "[ . 1 . 2]" 1
124 1 25 ASP H 1 26 THR MG 3.384 . 4.815 4.317 4.141 4.491 . 0 0 "[ . 1 . 2]" 1
125 1 25 ASP H 1 49 LEU QD 2.929 . 4.001 2.521 2.291 2.886 . 0 0 "[ . 1 . 2]" 1
126 1 13 ARG H 1 31 TYR H 3.775 . 5.557 4.841 4.675 5.037 . 0 0 "[ . 1 . 2]" 1
127 1 13 ARG H 1 15 CYS H 3.677 . 5.367 4.586 4.466 4.750 . 0 0 "[ . 1 . 2]" 1
128 1 13 ARG H 1 30 SER H 3.509 . 5.048 3.630 3.438 3.818 . 0 0 "[ . 1 . 2]" 1
129 1 11 PHE QD 1 13 ARG H 3.454 . 4.945 4.607 4.157 4.891 . 0 0 "[ . 1 . 2]" 1
130 1 11 PHE H 1 13 ARG H 4.562 . 7.164 5.352 5.146 5.562 . 0 0 "[ . 1 . 2]" 1
131 1 13 ARG H 1 13 ARG HA 2.226 . 2.846 2.732 2.696 2.775 . 0 0 "[ . 1 . 2]" 1
132 1 13 ARG H 1 13 ARG HB2 2.657 . 3.540 2.411 2.183 2.641 . 0 0 "[ . 1 . 2]" 1
133 1 13 ARG H 1 13 ARG HB3 2.521 . 3.315 2.533 2.409 2.632 . 0 0 "[ . 1 . 2]" 1
134 1 13 ARG H 1 13 ARG HG2 3.123 . 6.000 4.451 4.383 4.493 . 0 0 "[ . 1 . 2]" 1
135 1 12 CYS HB3 1 13 ARG H 3.175 . 6.000 4.468 4.383 4.525 . 0 0 "[ . 1 . 2]" 1
136 1 13 ARG H 1 21 LEU QD 3.280 . 4.625 4.327 3.984 4.556 . 0 0 "[ . 1 . 2]" 1
137 1 13 ARG H 1 14 VAL HB 3.943 . 5.886 5.284 5.106 5.500 . 0 0 "[ . 1 . 2]" 1
138 1 48 TRP HD1 1 49 LEU H 2.907 . 3.963 3.798 3.651 3.932 . 0 0 "[ . 1 . 2]" 1
139 1 48 TRP H 1 49 LEU H 2.892 . 6.000 4.451 4.416 4.486 . 0 0 "[ . 1 . 2]" 1
140 1 49 LEU H 1 49 LEU HA 2.801 . 3.782 2.939 2.912 2.944 . 0 0 "[ . 1 . 2]" 1
141 1 48 TRP HA 1 49 LEU H 2.044 . 2.566 2.147 2.110 2.180 . 0 0 "[ . 1 . 2]" 1
142 1 48 TRP HB3 1 49 LEU H 2.985 . 4.098 4.084 3.937 4.117 0.019 15 0 "[ . 1 . 2]" 1
143 1 48 TRP HB2 1 49 LEU H 2.886 . 3.927 4.037 3.977 4.086 0.159 3 0 "[ . 1 . 2]" 1
144 1 49 LEU H 1 49 LEU HG 2.730 . 6.000 4.510 2.931 4.686 . 0 0 "[ . 1 . 2]" 1
145 1 49 LEU H 1 49 LEU HB2 2.473 . 3.237 2.558 2.531 2.700 . 0 0 "[ . 1 . 2]" 1
146 1 49 LEU H 1 49 LEU QD 2.765 . 3.721 2.672 2.551 3.417 . 0 0 "[ . 1 . 2]" 1
147 1 49 LEU H 1 49 LEU HB3 2.758 . 3.709 3.715 3.696 3.794 0.085 18 0 "[ . 1 . 2]" 1
148 1 49 LEU H 1 54 THR MG 4.036 . 6.073 3.968 3.163 5.126 . 0 0 "[ . 1 . 2]" 1
149 1 43 ILE H 1 44 PRO HD3 3.353 . 4.758 4.418 4.364 4.472 . 0 0 "[ . 1 . 2]" 1
150 1 55 CYS H 1 55 CYS HA 2.661 . 3.546 2.893 2.760 2.930 . 0 0 "[ . 1 . 2]" 1
151 1 55 CYS H 1 56 PRO QD 3.459 . 4.955 4.273 4.020 4.404 . 0 0 "[ . 1 . 2]" 1
152 1 55 CYS H 1 55 CYS HB2 2.774 . 3.736 3.021 2.430 3.678 . 0 0 "[ . 1 . 2]" 1
153 1 54 THR MG 1 55 CYS H 3.273 . 4.612 3.872 2.643 4.374 . 0 0 "[ . 1 . 2]" 1
154 1 16 LYS H 1 16 LYS QB 3.134 . 3.898 3.383 3.152 3.437 . 0 0 "[ . 1 . 2]" 1
155 1 16 LYS H 1 16 LYS HA 2.248 . 2.880 2.255 2.227 2.274 . 0 0 "[ . 1 . 2]" 1
156 1 15 CYS HB3 1 16 LYS H 3.273 . 4.612 4.069 3.980 4.186 . 0 0 "[ . 1 . 2]" 1
157 1 12 CYS HB3 1 16 LYS H 3.339 . 4.733 3.496 3.001 4.038 . 0 0 "[ . 1 . 2]" 1
158 1 16 LYS H 1 16 LYS HD2 3.089 . 4.282 4.102 3.400 4.789 0.507 2 1 "[ + . 1 . 2]" 1
159 1 16 LYS H 1 16 LYS HD3 3.360 . 4.771 4.147 3.174 4.836 0.065 11 0 "[ . 1 . 2]" 1
160 1 16 LYS H 1 16 LYS HG3 3.048 . 4.210 4.195 2.348 4.409 0.199 12 0 "[ . 1 . 2]" 1
161 1 16 LYS H 1 16 LYS HG2 2.936 . 4.013 2.742 2.620 3.053 . 0 0 "[ . 1 . 2]" 1
162 1 36 LEU H 1 37 ASN H 3.129 . 4.352 4.407 4.245 4.489 0.137 11 0 "[ . 1 . 2]" 1
163 1 37 ASN H 1 37 ASN HA 2.761 . 3.714 2.873 2.852 2.887 . 0 0 "[ . 1 . 2]" 1
164 1 36 LEU HA 1 37 ASN H 2.161 . 2.745 2.657 2.445 2.791 0.046 14 0 "[ . 1 . 2]" 1
165 1 37 ASN H 1 37 ASN HB2 2.568 . 3.393 2.555 2.321 3.651 0.258 8 0 "[ . 1 . 2]" 1
166 1 37 ASN H 1 37 ASN HB3 2.685 . 3.586 3.533 2.640 3.646 0.060 5 0 "[ . 1 . 2]" 1
167 1 36 LEU HB2 1 37 ASN H 2.685 . 3.586 3.216 2.810 3.543 . 0 0 "[ . 1 . 2]" 1
168 1 36 LEU HB3 1 37 ASN H 2.572 . 3.399 1.992 1.711 2.381 0.034 14 0 "[ . 1 . 2]" 1
169 1 36 LEU MD2 1 37 ASN H 2.728 . 3.658 3.257 3.050 3.385 . 0 0 "[ . 1 . 2]" 1
170 1 36 LEU MD1 1 37 ASN H 3.308 . 4.676 4.041 3.809 4.397 . 0 0 "[ . 1 . 2]" 1
171 1 11 PHE H 1 11 PHE HA 2.806 . 3.790 2.798 2.768 2.817 . 0 0 "[ . 1 . 2]" 1
172 1 10 GLU H 1 11 PHE H 3.044 . 4.202 2.703 2.427 3.008 . 0 0 "[ . 1 . 2]" 1
173 1 11 PHE H 1 11 PHE HB3 3.000 . 4.125 3.722 3.631 3.772 . 0 0 "[ . 1 . 2]" 1
174 1 11 PHE H 1 11 PHE HB2 2.761 . 6.000 3.975 3.933 4.012 . 0 0 "[ . 1 . 2]" 1
175 1 41 PRO HB3 1 42 GLU H 2.181 . 6.000 4.324 4.131 4.472 . 0 0 "[ . 1 . 2]" 1
176 1 42 GLU H 1 42 GLU QB 2.919 . 3.984 3.003 2.804 3.347 . 0 0 "[ . 1 . 2]" 1
177 1 27 CYS H 1 27 CYS HA 2.790 . 3.763 2.886 2.855 2.932 . 0 0 "[ . 1 . 2]" 1
178 1 27 CYS H 1 27 CYS HB2 3.183 . 4.450 4.008 3.891 4.071 . 0 0 "[ . 1 . 2]" 1
179 1 27 CYS H 1 27 CYS HB3 2.734 . 3.668 3.131 2.949 3.264 . 0 0 "[ . 1 . 2]" 1
180 1 50 CYS H 1 50 CYS HB3 2.591 . 3.430 2.420 2.367 2.465 . 0 0 "[ . 1 . 2]" 1
181 1 50 CYS H 1 53 CYS HB2 3.032 . 4.181 2.801 2.658 2.966 . 0 0 "[ . 1 . 2]" 1
182 1 61 LYS H 1 61 LYS HG2 4.084 . 6.169 4.309 2.838 5.165 . 0 0 "[ . 1 . 2]" 1
183 1 61 LYS H 1 61 LYS HB3 3.089 . 4.282 3.309 2.438 3.864 . 0 0 "[ . 1 . 2]" 1
184 1 20 GLU H 1 20 GLU HB2 2.485 . 3.257 2.529 2.192 3.618 0.361 5 0 "[ . 1 . 2]" 1
185 1 22 LEU H 1 22 LEU HB2 2.413 . 3.141 2.177 2.049 2.377 . 0 0 "[ . 1 . 2]" 1
186 1 23 CYS H 1 23 CYS HB2 2.604 . 3.451 2.581 2.416 2.689 . 0 0 "[ . 1 . 2]" 1
187 1 23 CYS H 1 23 CYS HB3 2.666 . 3.554 2.839 2.336 3.612 0.058 16 0 "[ . 1 . 2]" 1
188 1 22 LEU QD 1 23 CYS H 2.479 . 3.247 2.450 2.130 2.594 . 0 0 "[ . 1 . 2]" 1
189 1 22 LEU HA 1 23 CYS H 2.164 . 2.749 2.120 2.065 2.150 . 0 0 "[ . 1 . 2]" 1
190 1 29 SER H 1 29 SER QB 2.736 . 3.671 2.621 2.428 2.988 . 0 0 "[ . 1 . 2]" 1
191 1 51 PRO HA 1 52 ARG H 2.611 . 3.463 3.460 3.372 3.534 0.071 12 0 "[ . 1 . 2]" 1
192 1 52 ARG H 1 53 CYS HA 3.951 . 5.902 5.047 4.915 5.183 . 0 0 "[ . 1 . 2]" 1
193 1 52 ARG H 1 52 ARG QD 2.907 . 3.963 3.392 2.069 4.068 0.105 4 0 "[ . 1 . 2]" 1
194 1 52 ARG H 1 53 CYS HB3 3.500 . 6.000 5.932 5.735 6.117 0.117 14 0 "[ . 1 . 2]" 1
195 1 51 PRO HB2 1 52 ARG H 3.186 . 4.455 3.180 2.540 3.754 . 0 0 "[ . 1 . 2]" 1
196 1 32 HIS H 1 33 ILE H 3.954 . 5.908 4.561 4.499 4.606 . 0 0 "[ . 1 . 2]" 1
197 1 32 HIS HD2 1 33 ILE H 3.410 . 4.864 4.171 3.767 4.453 . 0 0 "[ . 1 . 2]" 1
198 1 33 ILE H 1 40 LEU H 3.600 . 6.000 5.528 5.392 5.777 . 0 0 "[ . 1 . 2]" 1
199 1 32 HIS HA 1 33 ILE H 2.359 . 3.054 2.293 2.247 2.341 . 0 0 "[ . 1 . 2]" 1
200 1 21 LEU HA 1 33 ILE H 3.433 . 4.906 4.895 4.752 4.977 0.071 8 0 "[ . 1 . 2]" 1
201 1 33 ILE H 1 33 ILE HA 2.712 . 3.631 2.792 2.748 2.811 . 0 0 "[ . 1 . 2]" 1
202 1 32 HIS HB2 1 33 ILE H 3.113 . 4.325 3.936 3.797 4.114 . 0 0 "[ . 1 . 2]" 1
203 1 32 HIS HB3 1 33 ILE H 2.949 . 4.036 2.822 2.701 2.946 . 0 0 "[ . 1 . 2]" 1
204 1 33 ILE H 1 33 ILE HB 3.040 . 4.195 3.596 3.566 3.619 . 0 0 "[ . 1 . 2]" 1
205 1 33 ILE H 1 33 ILE HG12 2.652 . 3.531 1.801 1.726 1.930 0.047 3 0 "[ . 1 . 2]" 1
206 1 33 ILE H 1 33 ILE HG13 2.468 . 3.229 3.057 2.920 3.234 0.005 12 0 "[ . 1 . 2]" 1
207 1 33 ILE H 1 33 ILE MG 2.419 . 3.150 2.374 2.254 2.485 . 0 0 "[ . 1 . 2]" 1
208 1 33 ILE H 1 33 ILE MD 2.877 . 3.912 3.439 3.319 3.536 . 0 0 "[ . 1 . 2]" 1
209 1 21 LEU QD 1 33 ILE H 3.704 . 5.419 5.283 5.143 5.396 . 0 0 "[ . 1 . 2]" 1
210 1 22 LEU QD 1 33 ILE H 3.948 . 5.897 3.837 3.628 4.093 . 0 0 "[ . 1 . 2]" 1
211 1 14 VAL HB 1 15 CYS H 2.350 . 3.040 2.486 2.368 2.658 . 0 0 "[ . 1 . 2]" 1
212 1 15 CYS H 1 16 LYS H 2.547 . 3.358 2.194 1.864 2.340 . 0 0 "[ . 1 . 2]" 1
213 1 12 CYS HB3 1 15 CYS H 3.291 . 4.645 3.095 2.726 3.985 . 0 0 "[ . 1 . 2]" 1
214 1 14 VAL MG1 1 15 CYS H 2.774 . 3.736 3.524 3.391 3.747 0.011 19 0 "[ . 1 . 2]" 1
215 1 14 VAL MG2 1 15 CYS H 2.620 . 3.478 3.630 3.560 3.665 0.187 10 0 "[ . 1 . 2]" 1
216 1 15 CYS H 1 15 CYS HB3 2.688 . 3.591 3.482 2.869 3.683 0.092 16 0 "[ . 1 . 2]" 1
217 1 15 CYS H 1 35 CYS HB3 3.357 . 4.765 4.724 4.345 4.861 0.096 3 0 "[ . 1 . 2]" 1
218 1 15 CYS H 1 35 CYS HB2 3.295 . 6.000 5.074 4.730 5.192 . 0 0 "[ . 1 . 2]" 1
219 1 15 CYS H 1 15 CYS HB2 2.626 . 3.488 2.823 2.485 3.734 0.246 12 0 "[ . 1 . 2]" 1
220 1 12 CYS HA 1 15 CYS H 3.341 . 4.736 4.514 4.352 4.862 0.126 19 0 "[ . 1 . 2]" 1
221 1 15 CYS H 1 16 LYS HA 3.219 . 4.514 4.389 4.090 4.526 0.012 9 0 "[ . 1 . 2]" 1
222 1 15 CYS H 1 15 CYS HA 2.758 . 3.709 2.924 2.914 2.934 . 0 0 "[ . 1 . 2]" 1
223 1 15 CYS H 1 31 TYR HA 4.024 . 6.048 5.125 4.978 5.408 . 0 0 "[ . 1 . 2]" 1
224 1 32 HIS HB3 1 34 HIS H 2.623 . 3.483 2.392 1.862 2.897 . 0 0 "[ . 1 . 2]" 1
225 1 33 ILE MD 1 34 HIS H 3.108 . 4.316 4.293 4.148 4.384 0.068 4 0 "[ . 1 . 2]" 1
226 1 33 ILE MG 1 34 HIS H 3.071 . 4.250 4.213 4.116 4.258 0.008 17 0 "[ . 1 . 2]" 1
227 1 33 ILE HG13 1 34 HIS H 2.754 . 3.702 2.813 2.610 3.063 . 0 0 "[ . 1 . 2]" 1
228 1 33 ILE HG12 1 34 HIS H 2.612 . 3.465 3.119 2.987 3.264 . 0 0 "[ . 1 . 2]" 1
229 1 33 ILE HB 1 34 HIS H 3.165 . 4.417 3.937 3.843 4.069 . 0 0 "[ . 1 . 2]" 1
230 1 34 HIS H 1 34 HIS QB 2.728 . 3.368 2.345 2.196 2.469 . 0 0 "[ . 1 . 2]" 1
231 1 33 ILE HA 1 34 HIS H 3.057 . 4.225 3.423 3.372 3.475 . 0 0 "[ . 1 . 2]" 1
232 1 34 HIS H 1 36 LEU H 3.287 . 4.637 4.140 3.835 4.327 . 0 0 "[ . 1 . 2]" 1
233 1 33 ILE H 1 34 HIS H 2.765 . 3.721 2.744 2.601 2.907 . 0 0 "[ . 1 . 2]" 1
234 1 42 GLU H 1 43 ILE H 3.348 . 4.749 4.300 4.254 4.351 . 0 0 "[ . 1 . 2]" 1
235 1 40 LEU QD 1 42 GLU H 3.237 . 4.547 3.743 3.530 4.135 . 0 0 "[ . 1 . 2]" 1
236 1 26 THR MG 1 27 CYS H 3.161 . 4.410 4.215 3.235 4.363 . 0 0 "[ . 1 . 2]" 1
237 1 27 CYS H 1 28 PRO HD3 3.368 . 4.786 4.737 4.403 4.920 0.134 7 0 "[ . 1 . 2]" 1
238 1 24 CYS HB2 1 27 CYS H 2.659 . 6.000 4.324 4.176 4.518 . 0 0 "[ . 1 . 2]" 1
239 1 25 ASP HA 1 27 CYS H 3.227 . 4.529 4.363 4.120 4.563 0.034 5 0 "[ . 1 . 2]" 1
240 1 28 PRO HB2 1 29 SER H 4.088 . 6.177 4.310 4.218 4.365 . 0 0 "[ . 1 . 2]" 1
241 1 28 PRO HG2 1 29 SER H 3.764 . 5.535 4.514 3.908 5.591 0.056 14 0 "[ . 1 . 2]" 1
242 1 41 PRO HD2 1 42 GLU H 2.554 . 3.370 2.439 2.211 2.704 . 0 0 "[ . 1 . 2]" 1
243 1 41 PRO HD3 1 42 GLU H 2.828 . 3.828 3.654 3.496 3.845 0.017 15 0 "[ . 1 . 2]" 1
244 1 24 CYS HB2 1 26 THR H 3.129 . 6.000 4.673 4.449 4.855 . 0 0 "[ . 1 . 2]" 1
245 1 24 CYS HB3 1 26 THR H 3.118 . 4.334 3.806 3.585 4.013 . 0 0 "[ . 1 . 2]" 1
246 1 26 THR H 1 49 LEU HG 3.367 . 4.784 4.746 4.472 4.836 0.052 15 0 "[ . 1 . 2]" 1
247 1 26 THR H 1 26 THR MG 2.652 . 3.531 2.772 2.359 2.962 . 0 0 "[ . 1 . 2]" 1
248 1 26 THR H 1 49 LEU QD 2.901 . 3.953 2.308 2.135 2.427 . 0 0 "[ . 1 . 2]" 1
249 1 25 ASP HA 1 26 THR H 2.720 . 3.645 3.453 3.368 3.506 . 0 0 "[ . 1 . 2]" 1
250 1 25 ASP H 1 26 THR H 2.774 . 3.736 2.754 2.642 2.838 . 0 0 "[ . 1 . 2]" 1
251 1 24 CYS H 1 29 SER H 3.435 . 4.910 4.012 3.641 4.346 . 0 0 "[ . 1 . 2]" 1
252 1 8 HIS HD2 1 29 SER H 3.430 . 4.900 4.258 3.376 4.957 0.057 7 0 "[ . 1 . 2]" 1
253 1 29 SER H 1 30 SER H 3.466 . 4.968 4.519 4.418 4.599 . 0 0 "[ . 1 . 2]" 1
254 1 29 SER H 1 31 TYR QE 3.633 . 6.000 5.732 5.216 6.003 0.003 14 0 "[ . 1 . 2]" 1
255 1 27 CYS HB2 1 29 SER H 3.332 . 4.720 4.219 3.906 4.569 . 0 0 "[ . 1 . 2]" 1
256 1 27 CYS HB3 1 29 SER H 3.062 . 6.000 4.741 4.468 5.080 . 0 0 "[ . 1 . 2]" 1
257 1 29 SER H 1 50 CYS HB3 4.001 . 6.002 4.791 4.623 5.054 . 0 0 "[ . 1 . 2]" 1
258 1 28 PRO HB3 1 29 SER H 3.161 . 6.000 4.673 4.614 4.698 . 0 0 "[ . 1 . 2]" 1
259 1 22 LEU H 1 31 TYR H 2.857 . 3.878 2.563 2.217 2.959 . 0 0 "[ . 1 . 2]" 1
260 1 31 TYR H 1 31 TYR QD 2.823 . 3.819 3.116 2.909 3.292 . 0 0 "[ . 1 . 2]" 1
261 1 31 TYR H 1 31 TYR HA 2.963 . 4.060 2.942 2.930 2.951 . 0 0 "[ . 1 . 2]" 1
262 1 31 TYR H 1 31 TYR HB3 2.992 . 4.111 3.743 3.690 3.788 . 0 0 "[ . 1 . 2]" 1
263 1 31 TYR H 1 31 TYR HB2 2.756 . 3.706 2.654 2.596 2.722 . 0 0 "[ . 1 . 2]" 1
264 1 21 LEU HB2 1 31 TYR H 2.929 . 4.001 4.160 4.089 4.209 0.208 6 0 "[ . 1 . 2]" 1
265 1 21 LEU HB3 1 31 TYR H 2.761 . 3.714 2.683 2.519 2.846 . 0 0 "[ . 1 . 2]" 1
266 1 21 LEU QD 1 31 TYR H 3.129 . 4.352 3.671 3.518 3.902 . 0 0 "[ . 1 . 2]" 1
267 1 12 CYS H 1 18 GLY H 3.540 . 5.107 4.639 4.511 4.743 . 0 0 "[ . 1 . 2]" 1
268 1 11 PHE QD 1 18 GLY H 3.898 . 5.797 5.368 4.963 5.691 . 0 0 "[ . 1 . 2]" 1
269 1 17 ASP HA 1 18 GLY H 2.375 . 3.080 2.328 2.214 2.457 . 0 0 "[ . 1 . 2]" 1
270 1 18 GLY H 1 18 GLY HA2 2.587 . 3.424 2.946 2.926 2.959 . 0 0 "[ . 1 . 2]" 1
271 1 17 ASP QB 1 18 GLY H 3.032 . 4.181 3.058 2.430 3.759 . 0 0 "[ . 1 . 2]" 1
272 1 47 GLU HA 1 48 TRP H 2.105 . 2.659 2.177 2.123 2.220 . 0 0 "[ . 1 . 2]" 1
273 1 48 TRP H 1 48 TRP HB3 2.783 . 3.751 2.515 2.443 2.636 . 0 0 "[ . 1 . 2]" 1
274 1 47 GLU HB3 1 48 TRP H 2.563 . 6.000 4.342 4.248 4.424 . 0 0 "[ . 1 . 2]" 1
275 1 44 PRO HD3 1 48 TRP HE1 3.652 . 5.319 5.347 5.284 5.426 0.107 15 0 "[ . 1 . 2]" 1
276 1 44 PRO HG3 1 48 TRP HE1 3.152 . 4.394 4.282 4.008 4.412 0.018 12 0 "[ . 1 . 2]" 1
277 1 22 LEU QD 1 48 TRP H 3.747 . 5.502 4.756 4.606 4.895 . 0 0 "[ . 1 . 2]" 1
278 1 22 LEU H 1 32 HIS HA 3.261 . 4.590 3.508 3.235 3.821 . 0 0 "[ . 1 . 2]" 1
279 1 21 LEU HA 1 22 LEU H 2.157 . 2.739 2.061 2.015 2.135 . 0 0 "[ . 1 . 2]" 1
280 1 22 LEU H 1 22 LEU HB3 2.595 . 3.437 2.701 2.567 2.893 . 0 0 "[ . 1 . 2]" 1
281 1 22 LEU H 1 22 LEU HG 3.053 . 6.000 4.564 4.534 4.617 . 0 0 "[ . 1 . 2]" 1
282 1 24 CYS HB2 1 50 CYS H 3.336 . 4.727 2.960 2.757 3.244 . 0 0 "[ . 1 . 2]" 1
283 1 22 LEU H 1 30 SER HA 4.015 . 6.030 4.130 3.780 4.358 . 0 0 "[ . 1 . 2]" 1
284 1 19 GLY H 1 20 GLU H 3.150 . 4.390 4.157 3.958 4.276 . 0 0 "[ . 1 . 2]" 1
285 1 20 GLU H 1 32 HIS HD2 2.970 . 4.073 3.191 2.765 3.642 . 0 0 "[ . 1 . 2]" 1
286 1 19 GLY HA2 1 20 GLU H 2.313 . 2.982 2.918 2.807 3.033 0.051 20 0 "[ . 1 . 2]" 1
287 1 20 GLU H 1 20 GLU HA 2.724 . 3.651 2.856 2.828 2.886 . 0 0 "[ . 1 . 2]" 1
288 1 19 GLY HA3 1 20 GLU H 2.476 . 3.242 2.206 2.097 2.295 . 0 0 "[ . 1 . 2]" 1
289 1 9 MET H 1 9 MET HB3 2.699 . 3.610 3.612 3.545 3.714 0.104 15 0 "[ . 1 . 2]" 1
290 1 8 HIS HD2 1 9 MET H 4.159 . 6.321 4.310 3.676 5.120 . 0 0 "[ . 1 . 2]" 1
291 1 9 MET H 1 30 SER H 4.129 . 6.261 3.878 3.451 4.347 . 0 0 "[ . 1 . 2]" 1
292 1 8 HIS HA 1 9 MET H 2.669 . 3.559 2.500 2.071 3.456 . 0 0 "[ . 1 . 2]" 1
293 1 9 MET H 1 9 MET HA 2.710 . 3.628 2.783 2.722 2.933 . 0 0 "[ . 1 . 2]" 1
294 1 8 HIS QB 1 9 MET H 2.883 . 3.922 2.504 1.679 3.791 0.251 15 0 "[ . 1 . 2]" 1
295 1 9 MET H 1 9 MET QG 2.466 . 3.226 2.149 1.664 2.750 0.042 8 0 "[ . 1 . 2]" 1
296 1 9 MET H 1 28 PRO HB2 3.312 . 4.683 3.688 2.993 4.669 . 0 0 "[ . 1 . 2]" 1
297 1 9 MET H 1 9 MET HB2 2.681 . 3.580 2.689 2.523 2.916 . 0 0 "[ . 1 . 2]" 1
298 1 50 CYS H 1 53 CYS H 3.822 . 5.648 3.845 3.658 4.017 . 0 0 "[ . 1 . 2]" 1
299 1 48 TRP HE3 1 50 CYS H 4.386 . 6.791 4.368 4.245 4.449 . 0 0 "[ . 1 . 2]" 1
300 1 49 LEU H 1 50 CYS H 3.220 . 4.516 4.399 4.223 4.425 . 0 0 "[ . 1 . 2]" 1
301 1 48 TRP HH2 1 50 CYS H 3.714 . 5.438 4.406 4.331 4.494 . 0 0 "[ . 1 . 2]" 1
302 1 49 LEU HA 1 50 CYS H 2.264 . 2.905 2.170 2.072 2.208 . 0 0 "[ . 1 . 2]" 1
303 1 50 CYS H 1 51 PRO HD3 3.422 . 4.886 4.987 4.740 5.299 0.413 6 0 "[ . 1 . 2]" 1
304 1 50 CYS H 1 53 CYS HB3 3.136 . 4.365 4.345 4.266 4.452 0.087 18 0 "[ . 1 . 2]" 1
305 1 24 CYS HB3 1 50 CYS H 3.089 . 4.282 3.980 3.819 4.210 . 0 0 "[ . 1 . 2]" 1
306 1 49 LEU HG 1 50 CYS H 3.227 . 4.529 4.641 4.548 4.700 0.171 18 0 "[ . 1 . 2]" 1
307 1 49 LEU HB2 1 50 CYS H 3.129 . 4.352 4.032 3.955 4.104 . 0 0 "[ . 1 . 2]" 1
308 1 49 LEU HB3 1 50 CYS H 2.946 . 4.031 2.887 2.810 3.133 . 0 0 "[ . 1 . 2]" 1
309 1 49 LEU QD 1 50 CYS H 3.040 . 4.195 3.185 3.067 3.438 . 0 0 "[ . 1 . 2]" 1
310 1 18 GLY H 1 19 GLY H 3.388 . 4.823 3.244 3.049 3.441 . 0 0 "[ . 1 . 2]" 1
311 1 19 GLY H 1 19 GLY HA2 2.676 . 3.571 2.885 2.867 2.911 . 0 0 "[ . 1 . 2]" 1
312 1 18 GLY HA3 1 19 GLY H 2.595 . 6.000 3.540 3.519 3.554 . 0 0 "[ . 1 . 2]" 1
313 1 11 PHE HA 1 19 GLY H 2.834 . 3.838 3.763 3.555 3.946 0.108 4 0 "[ . 1 . 2]" 1
314 1 18 GLY HA2 1 19 GLY H 2.466 . 3.226 2.614 2.548 2.726 . 0 0 "[ . 1 . 2]" 1
315 1 19 GLY H 1 19 GLY HA3 2.553 . 3.368 2.323 2.308 2.346 . 0 0 "[ . 1 . 2]" 1
316 1 19 GLY H 1 21 LEU QD 3.226 . 4.401 2.183 2.020 2.332 . 0 0 "[ . 1 . 2]" 1
317 1 19 GLY H 1 21 LEU HG 3.277 . 4.619 4.180 3.626 4.706 0.087 9 0 "[ . 1 . 2]" 1
318 1 44 PRO HD2 1 48 TRP HE1 4.198 . 6.401 5.661 5.604 5.782 . 0 0 "[ . 1 . 2]" 1
319 1 21 LEU QD 1 22 LEU H 2.929 . 4.001 3.705 3.516 3.840 . 0 0 "[ . 1 . 2]" 1
320 1 22 LEU H 1 22 LEU QD 3.140 . 4.373 3.441 3.314 3.581 . 0 0 "[ . 1 . 2]" 1
321 1 31 TYR QD 1 32 HIS H 3.099 . 6.000 3.877 3.644 4.245 . 0 0 "[ . 1 . 2]" 1
322 1 12 CYS HA 1 32 HIS H 3.189 . 4.460 4.111 3.861 4.467 0.007 19 0 "[ . 1 . 2]" 1
323 1 32 HIS H 1 35 CYS HB2 3.334 . 4.724 2.458 2.324 2.629 . 0 0 "[ . 1 . 2]" 1
324 1 32 HIS H 1 32 HIS HB3 2.799 . 3.778 3.657 3.590 3.725 . 0 0 "[ . 1 . 2]" 1
325 1 31 TYR HB2 1 32 HIS H 3.248 . 4.567 3.936 3.841 4.063 . 0 0 "[ . 1 . 2]" 1
326 1 12 CYS HB3 1 32 HIS H 3.066 . 4.241 4.194 3.912 4.286 0.045 10 0 "[ . 1 . 2]" 1
327 1 21 LEU QD 1 32 HIS H 3.200 . 4.480 3.888 3.555 4.122 . 0 0 "[ . 1 . 2]" 1
328 1 20 GLU HA 1 21 LEU H 2.198 . 2.802 2.146 2.091 2.232 . 0 0 "[ . 1 . 2]" 1
329 1 21 LEU H 1 21 LEU HA 2.877 . 3.912 2.934 2.914 2.953 . 0 0 "[ . 1 . 2]" 1
330 1 20 GLU HG3 1 21 LEU H 2.738 . 6.000 3.908 3.482 5.262 . 0 0 "[ . 1 . 2]" 1
331 1 20 GLU HB2 1 21 LEU H 3.044 . 6.000 4.421 3.775 4.624 . 0 0 "[ . 1 . 2]" 1
332 1 21 LEU H 1 21 LEU HB2 2.718 . 3.641 2.727 2.656 2.796 . 0 0 "[ . 1 . 2]" 1
333 1 21 LEU H 1 21 LEU HG 2.656 . 6.000 3.185 2.227 4.366 . 0 0 "[ . 1 . 2]" 1
334 1 21 LEU H 1 21 LEU HB3 3.004 . 4.132 3.736 3.696 3.767 . 0 0 "[ . 1 . 2]" 1
335 1 21 LEU H 1 21 LEU QD 3.170 . 4.282 2.684 1.973 3.176 . 0 0 "[ . 1 . 2]" 1
336 1 13 ARG H 1 14 VAL H 2.886 . 3.927 2.857 2.736 2.980 . 0 0 "[ . 1 . 2]" 1
337 1 14 VAL H 1 16 LYS H 3.103 . 4.307 3.805 3.741 3.856 . 0 0 "[ . 1 . 2]" 1
338 1 14 VAL H 1 31 TYR QE 3.954 . 5.908 4.548 4.343 4.913 . 0 0 "[ . 1 . 2]" 1
339 1 14 VAL H 1 15 CYS HA 3.557 . 5.138 5.227 5.191 5.273 0.135 18 0 "[ . 1 . 2]" 1
340 1 14 VAL H 1 14 VAL HA 2.752 . 3.699 2.852 2.819 2.871 . 0 0 "[ . 1 . 2]" 1
341 1 13 ARG HA 1 14 VAL H 2.871 . 3.902 3.486 3.455 3.510 . 0 0 "[ . 1 . 2]" 1
342 1 14 VAL H 1 35 CYS HB2 3.143 . 6.000 4.612 4.537 4.713 . 0 0 "[ . 1 . 2]" 1
343 1 14 VAL H 1 14 VAL HB 2.450 . 3.200 2.623 2.567 2.740 . 0 0 "[ . 1 . 2]" 1
344 1 13 ARG HB3 1 14 VAL H 3.108 . 4.316 2.852 2.755 2.933 . 0 0 "[ . 1 . 2]" 1
345 1 14 VAL H 1 14 VAL MG1 2.354 . 6.000 3.770 3.753 3.784 . 0 0 "[ . 1 . 2]" 1
346 1 14 VAL H 1 14 VAL MG2 2.831 . 3.833 1.933 1.803 2.023 0.026 12 0 "[ . 1 . 2]" 1
347 1 14 VAL H 1 35 CYS HB3 3.377 . 4.803 4.529 4.249 4.696 . 0 0 "[ . 1 . 2]" 1
348 1 9 MET H 1 11 PHE H 3.499 . 5.029 4.804 3.542 5.117 0.088 17 0 "[ . 1 . 2]" 1
349 1 20 GLU H 1 21 LEU QD 3.548 . 5.121 3.740 3.431 4.127 . 0 0 "[ . 1 . 2]" 1
350 1 43 ILE H 1 43 ILE HB 2.149 . 6.000 2.665 2.565 2.771 . 0 0 "[ . 1 . 2]" 1
351 1 43 ILE H 1 43 ILE HG12 2.544 . 3.353 1.802 1.752 1.843 . 0 0 "[ . 1 . 2]" 1
352 1 43 ILE H 1 43 ILE HG13 2.535 . 3.338 3.358 3.292 3.399 0.061 19 0 "[ . 1 . 2]" 1
353 1 33 ILE MD 1 43 ILE H 3.075 . 4.257 3.029 2.760 3.357 . 0 0 "[ . 1 . 2]" 1
354 1 43 ILE H 1 43 ILE MG 3.525 . 5.078 3.681 3.660 3.699 . 0 0 "[ . 1 . 2]" 1
355 1 22 LEU QD 1 43 ILE H 3.940 . 5.881 4.576 4.426 4.731 . 0 0 "[ . 1 . 2]" 1
356 1 12 CYS H 1 17 ASP H 3.334 . 4.724 3.475 2.412 3.924 . 0 0 "[ . 1 . 2]" 1
357 1 17 ASP H 1 18 GLY H 3.283 . 4.630 4.581 4.246 4.653 0.023 19 0 "[ . 1 . 2]" 1
358 1 16 LYS H 1 17 ASP H 2.609 . 3.460 2.587 2.468 2.839 . 0 0 "[ . 1 . 2]" 1
359 1 17 ASP H 1 17 ASP HA 2.664 . 3.551 2.900 2.877 2.941 . 0 0 "[ . 1 . 2]" 1
360 1 15 CYS HA 1 17 ASP H 3.575 . 5.172 4.158 3.864 5.165 . 0 0 "[ . 1 . 2]" 1
361 1 12 CYS HA 1 17 ASP H 4.015 . 6.030 5.370 4.580 5.741 . 0 0 "[ . 1 . 2]" 1
362 1 12 CYS HB2 1 17 ASP H 2.685 . 6.000 4.732 4.255 5.470 . 0 0 "[ . 1 . 2]" 1
363 1 17 ASP H 1 17 ASP QB 2.570 . 3.342 2.335 2.016 2.903 . 0 0 "[ . 1 . 2]" 1
364 1 11 PHE HB3 1 17 ASP H 3.175 . 4.435 4.542 3.686 4.695 0.260 6 0 "[ . 1 . 2]" 1
365 1 16 LYS QB 1 17 ASP H 3.276 . 4.594 3.574 3.459 3.868 . 0 0 "[ . 1 . 2]" 1
366 1 17 ASP H 1 21 LEU QD 3.905 . 5.811 4.651 4.065 4.850 . 0 0 "[ . 1 . 2]" 1
367 1 23 CYS H 1 24 CYS H 3.023 . 4.166 4.160 4.072 4.258 0.092 8 0 "[ . 1 . 2]" 1
368 1 22 LEU H 1 24 CYS H 3.811 . 5.627 5.722 5.574 5.800 0.173 19 0 "[ . 1 . 2]" 1
369 1 8 HIS HD2 1 24 CYS H 3.062 . 4.234 3.054 2.368 3.594 . 0 0 "[ . 1 . 2]" 1
370 1 24 CYS H 1 48 TRP HE3 3.646 . 5.308 3.771 3.519 4.172 . 0 0 "[ . 1 . 2]" 1
371 1 24 CYS H 1 48 TRP HZ3 3.137 . 4.367 2.513 2.279 2.917 . 0 0 "[ . 1 . 2]" 1
372 1 24 CYS H 1 24 CYS HA 2.939 . 4.019 2.744 2.703 2.799 . 0 0 "[ . 1 . 2]" 1
373 1 22 LEU HA 1 24 CYS H 3.355 . 6.000 5.210 5.084 5.403 . 0 0 "[ . 1 . 2]" 1
374 1 24 CYS H 1 24 CYS HB2 2.607 . 3.456 2.452 2.393 2.504 . 0 0 "[ . 1 . 2]" 1
375 1 8 HIS QB 1 24 CYS H 3.390 . 4.827 4.541 4.107 4.819 . 0 0 "[ . 1 . 2]" 1
376 1 24 CYS H 1 50 CYS HB3 3.441 . 4.921 4.312 4.129 4.569 . 0 0 "[ . 1 . 2]" 1
377 1 23 CYS HB2 1 24 CYS H 3.405 . 4.854 4.489 4.370 4.618 . 0 0 "[ . 1 . 2]" 1
378 1 23 CYS HB3 1 24 CYS H 3.290 . 4.643 4.269 3.745 4.533 . 0 0 "[ . 1 . 2]" 1
379 1 47 GLU H 1 48 TRP H 3.368 . 4.786 4.261 4.109 4.371 . 0 0 "[ . 1 . 2]" 1
380 1 47 GLU H 1 47 GLU HA 2.657 . 3.540 2.876 2.727 2.936 . 0 0 "[ . 1 . 2]" 1
381 1 46 GLY HA2 1 47 GLU H 2.552 . 3.366 2.844 2.484 3.086 . 0 0 "[ . 1 . 2]" 1
382 1 46 GLY HA3 1 47 GLU H 2.407 . 3.131 2.313 2.170 2.651 . 0 0 "[ . 1 . 2]" 1
383 1 47 GLU H 1 47 GLU HB3 2.297 . 2.956 2.564 2.447 2.695 . 0 0 "[ . 1 . 2]" 1
384 1 12 CYS H 1 13 ARG H 3.347 . 4.747 4.431 4.390 4.490 . 0 0 "[ . 1 . 2]" 1
385 1 11 PHE H 1 12 CYS H 3.799 . 5.603 4.188 4.116 4.270 . 0 0 "[ . 1 . 2]" 1
386 1 12 CYS H 1 18 GLY HA3 3.572 . 5.167 4.554 4.302 4.910 . 0 0 "[ . 1 . 2]" 1
387 1 12 CYS H 1 16 LYS HA 3.424 . 4.889 4.172 3.750 4.407 . 0 0 "[ . 1 . 2]" 1
388 1 12 CYS H 1 12 CYS HA 2.774 . 3.736 2.801 2.770 2.859 . 0 0 "[ . 1 . 2]" 1
389 1 12 CYS H 1 12 CYS HB2 2.505 . 3.290 2.697 2.541 3.032 . 0 0 "[ . 1 . 2]" 1
390 1 12 CYS H 1 17 ASP QB 3.624 . 5.266 3.891 3.514 4.435 . 0 0 "[ . 1 . 2]" 1
391 1 11 PHE HB3 1 12 CYS H 2.724 . 3.651 3.653 3.534 3.771 0.120 17 0 "[ . 1 . 2]" 1
392 1 12 CYS H 1 12 CYS HB3 2.572 . 3.399 2.191 2.012 2.325 . 0 0 "[ . 1 . 2]" 1
393 1 12 CYS H 1 21 LEU QD 3.210 . 3.902 2.180 2.027 2.364 . 0 0 "[ . 1 . 2]" 1
394 1 26 THR H 1 27 CYS H 2.269 . 2.913 2.239 2.085 2.391 . 0 0 "[ . 1 . 2]" 1
395 1 27 CYS H 1 29 SER H 3.363 . 4.776 4.113 4.034 4.184 . 0 0 "[ . 1 . 2]" 1
396 1 27 CYS H 1 49 LEU HA 3.799 . 5.603 5.324 5.118 5.473 . 0 0 "[ . 1 . 2]" 1
397 1 27 CYS H 1 49 LEU QD 3.108 . 4.316 3.890 3.671 4.062 . 0 0 "[ . 1 . 2]" 1
398 1 57 ALA H 1 57 ALA HA 2.513 . 3.302 2.873 2.742 2.934 . 0 0 "[ . 1 . 2]" 1
399 1 56 PRO HG2 1 57 ALA H 3.436 . 4.911 4.067 2.376 4.947 0.036 11 0 "[ . 1 . 2]" 1
400 1 57 ALA H 1 57 ALA MB 2.898 . 3.948 2.273 2.222 2.348 . 0 0 "[ . 1 . 2]" 1
401 1 22 LEU H 1 23 CYS H 3.364 . 4.778 4.289 4.158 4.437 . 0 0 "[ . 1 . 2]" 1
402 1 23 CYS H 1 48 TRP HE3 3.535 . 5.097 4.715 4.521 4.903 . 0 0 "[ . 1 . 2]" 1
403 1 23 CYS H 1 23 CYS HA 2.869 . 3.898 2.878 2.857 2.898 . 0 0 "[ . 1 . 2]" 1
404 1 22 LEU HB2 1 23 CYS H 3.893 . 5.788 4.520 4.427 4.572 . 0 0 "[ . 1 . 2]" 1
405 1 22 LEU HG 1 23 CYS H 2.936 . 6.000 4.206 3.908 4.392 . 0 0 "[ . 1 . 2]" 1
406 1 12 CYS HA 1 16 LYS H 3.407 . 4.858 4.747 4.524 4.897 0.039 12 0 "[ . 1 . 2]" 1
407 1 15 CYS HB2 1 16 LYS H 2.841 . 3.850 3.370 3.016 4.153 0.303 12 0 "[ . 1 . 2]" 1
408 1 11 PHE HB3 1 16 LYS H 3.631 . 6.000 5.585 5.383 5.806 . 0 0 "[ . 1 . 2]" 1
409 1 14 VAL HB 1 16 LYS H 3.467 . 4.970 4.614 4.344 4.771 . 0 0 "[ . 1 . 2]" 1
410 1 58 LEU HA 1 59 LYS H 2.936 . 4.013 2.808 2.110 3.564 . 0 0 "[ . 1 . 2]" 1
411 1 14 VAL H 1 15 CYS H 2.434 . 3.174 2.622 2.550 2.747 . 0 0 "[ . 1 . 2]" 1
412 1 15 CYS H 1 17 ASP H 3.306 . 4.672 3.627 3.431 4.048 . 0 0 "[ . 1 . 2]" 1
413 1 58 LEU H 1 58 LEU HB2 2.787 . 3.758 2.695 2.410 3.715 . 0 0 "[ . 1 . 2]" 1
414 1 58 LEU H 1 58 LEU HB3 3.023 . 4.166 2.912 2.454 3.637 . 0 0 "[ . 1 . 2]" 1
415 1 57 ALA MB 1 58 LEU H 3.196 . 4.473 3.373 2.109 3.717 . 0 0 "[ . 1 . 2]" 1
416 1 52 ARG H 1 53 CYS H 2.409 . 3.134 2.361 2.175 2.557 . 0 0 "[ . 1 . 2]" 1
417 1 49 LEU HA 1 53 CYS H 3.636 . 6.000 5.408 5.223 5.660 . 0 0 "[ . 1 . 2]" 1
418 1 51 PRO HA 1 53 CYS H 2.880 . 6.000 4.354 4.079 4.943 . 0 0 "[ . 1 . 2]" 1
419 1 53 CYS H 1 53 CYS HB2 2.706 . 3.622 2.402 2.319 2.486 . 0 0 "[ . 1 . 2]" 1
420 1 53 CYS H 1 53 CYS HB3 2.530 . 6.000 3.610 3.577 3.636 . 0 0 "[ . 1 . 2]" 1
421 1 52 ARG HB3 1 53 CYS H 2.939 . 4.019 3.276 2.601 3.922 . 0 0 "[ . 1 . 2]" 1
422 1 52 ARG HB2 1 53 CYS H 2.828 . 3.828 3.147 2.525 4.114 0.286 15 0 "[ . 1 . 2]" 1
423 1 53 CYS H 1 54 THR MG 3.099 . 4.299 3.873 3.474 4.130 . 0 0 "[ . 1 . 2]" 1
424 1 60 GLY HA2 1 61 LYS H 2.860 . 3.883 3.093 2.144 3.556 . 0 0 "[ . 1 . 2]" 1
425 1 53 CYS H 1 54 THR H 2.501 . 3.283 2.370 2.293 2.549 . 0 0 "[ . 1 . 2]" 1
426 1 52 ARG H 1 54 THR H 3.057 . 4.225 3.694 3.507 4.008 . 0 0 "[ . 1 . 2]" 1
427 1 50 CYS H 1 54 THR H 3.579 . 5.180 4.834 4.255 5.191 0.011 15 0 "[ . 1 . 2]" 1
428 1 54 THR H 1 55 CYS HA 3.162 . 6.000 4.991 4.488 5.279 . 0 0 "[ . 1 . 2]" 1
429 1 53 CYS HB2 1 54 THR H 3.094 . 4.290 3.208 2.932 3.385 . 0 0 "[ . 1 . 2]" 1
430 1 53 CYS HB3 1 54 THR H 3.019 . 4.159 4.026 3.849 4.126 . 0 0 "[ . 1 . 2]" 1
431 1 52 ARG HB3 1 54 THR H 3.538 . 6.000 5.151 4.727 5.527 . 0 0 "[ . 1 . 2]" 1
432 1 52 ARG HB2 1 54 THR H 3.685 . 5.383 5.117 4.734 5.785 0.402 4 0 "[ . 1 . 2]" 1
433 1 54 THR H 1 54 THR MG 2.572 . 3.399 2.434 1.946 2.616 . 0 0 "[ . 1 . 2]" 1
434 1 49 LEU QD 1 54 THR H 3.915 . 5.831 4.918 4.447 5.248 . 0 0 "[ . 1 . 2]" 1
435 1 45 ASN HB2 1 45 ASN HD21 3.403 . 4.850 2.847 2.222 3.525 . 0 0 "[ . 1 . 2]" 1
436 1 37 ASN HB2 1 37 ASN HD21 3.313 . 4.685 2.744 2.201 3.488 . 0 0 "[ . 1 . 2]" 1
437 1 37 ASN HB3 1 37 ASN HD21 3.205 . 4.489 3.346 2.255 3.534 . 0 0 "[ . 1 . 2]" 1
438 1 40 LEU H 1 40 LEU HA 2.730 . 3.661 2.935 2.906 2.947 . 0 0 "[ . 1 . 2]" 1
439 1 39 PRO HB3 1 40 LEU H 2.939 . 4.019 3.287 3.069 3.562 . 0 0 "[ . 1 . 2]" 1
440 1 33 ILE HB 1 40 LEU H 2.679 . 3.576 2.522 2.372 2.813 . 0 0 "[ . 1 . 2]" 1
441 1 40 LEU H 1 40 LEU HG 2.440 . 6.000 3.268 2.867 4.325 . 0 0 "[ . 1 . 2]" 1
442 1 34 HIS H 1 35 CYS H 2.626 . 3.488 2.314 2.220 2.433 . 0 0 "[ . 1 . 2]" 1
443 1 32 HIS H 1 35 CYS H 2.804 . 3.787 3.727 3.567 3.854 0.067 16 0 "[ . 1 . 2]" 1
444 1 33 ILE H 1 35 CYS H 3.196 . 4.473 4.170 4.059 4.233 . 0 0 "[ . 1 . 2]" 1
445 1 35 CYS H 1 36 LEU H 2.332 . 3.012 2.400 2.291 2.471 . 0 0 "[ . 1 . 2]" 1
446 1 35 CYS H 1 36 LEU HA 3.194 . 6.000 4.657 4.583 4.696 . 0 0 "[ . 1 . 2]" 1
447 1 33 ILE HA 1 35 CYS H 3.256 . 4.581 3.881 3.713 4.174 . 0 0 "[ . 1 . 2]" 1
448 1 34 HIS QB 1 35 CYS H 2.674 . 3.568 3.278 3.057 3.410 . 0 0 "[ . 1 . 2]" 1
449 1 35 CYS H 1 35 CYS HB2 2.787 . 3.758 2.659 2.476 2.785 . 0 0 "[ . 1 . 2]" 1
450 1 35 CYS H 1 35 CYS HB3 2.399 . 6.000 3.725 3.679 3.760 . 0 0 "[ . 1 . 2]" 1
451 1 35 CYS H 1 36 LEU HG 2.942 . 4.024 3.244 3.011 3.508 . 0 0 "[ . 1 . 2]" 1
452 1 35 CYS H 1 36 LEU HB3 3.744 . 5.496 5.528 5.379 5.579 0.083 6 0 "[ . 1 . 2]" 1
453 1 35 CYS H 1 36 LEU MD1 3.364 . 4.778 4.359 4.134 4.537 . 0 0 "[ . 1 . 2]" 1
454 1 35 CYS H 1 36 LEU MD2 3.298 . 4.658 4.431 4.281 4.657 . 0 0 "[ . 1 . 2]" 1
455 1 36 LEU H 1 40 LEU H 3.374 . 6.000 4.897 4.546 5.268 . 0 0 "[ . 1 . 2]" 1
456 1 40 LEU H 1 40 LEU QD 2.834 . 3.838 2.972 2.342 3.278 . 0 0 "[ . 1 . 2]" 1
457 1 30 SER H 1 30 SER QB 3.219 . 3.878 2.845 2.630 3.116 . 0 0 "[ . 1 . 2]" 1
458 1 9 MET HG3 1 30 SER H 2.952 . 4.042 3.148 2.171 3.665 . 0 0 "[ . 1 . 2]" 1
459 1 9 MET HB2 1 30 SER H 3.011 . 4.145 3.315 2.716 3.973 . 0 0 "[ . 1 . 2]" 1
460 1 13 ARG HB3 1 30 SER H 3.248 . 4.567 4.464 4.187 4.905 0.338 19 0 "[ . 1 . 2]" 1
461 1 32 HIS HA 1 34 HIS H 3.306 . 4.672 3.874 3.552 4.126 . 0 0 "[ . 1 . 2]" 1
462 1 34 HIS H 1 34 HIS HA 2.985 . 4.098 2.923 2.892 2.935 . 0 0 "[ . 1 . 2]" 1
463 1 42 GLU H 1 42 GLU HA 2.320 . 2.993 2.848 2.793 2.903 . 0 0 "[ . 1 . 2]" 1
464 1 40 LEU HB2 1 42 GLU H 2.836 . 3.841 3.523 3.251 3.807 . 0 0 "[ . 1 . 2]" 1
465 1 40 LEU HB3 1 42 GLU H 2.549 . 3.361 2.420 2.095 2.669 . 0 0 "[ . 1 . 2]" 1
466 1 33 ILE HG13 1 42 GLU H 3.515 . 5.060 5.104 5.066 5.145 0.085 12 0 "[ . 1 . 2]" 1
467 1 33 ILE MG 1 42 GLU H 3.080 . 4.266 3.799 3.531 4.061 . 0 0 "[ . 1 . 2]" 1
468 1 33 ILE MD 1 42 GLU H 2.667 . 3.556 2.849 2.760 3.060 . 0 0 "[ . 1 . 2]" 1
469 1 11 PHE H 1 11 PHE QD 3.057 . 4.225 3.485 3.396 3.625 . 0 0 "[ . 1 . 2]" 1
470 1 11 PHE H 1 30 SER QB 3.443 . 4.924 3.257 2.602 4.171 . 0 0 "[ . 1 . 2]" 1
471 1 9 MET HB2 1 11 PHE H 2.767 . 3.724 2.812 2.340 3.025 . 0 0 "[ . 1 . 2]" 1
472 1 9 MET HB3 1 11 PHE H 2.587 . 3.424 2.882 2.500 3.234 . 0 0 "[ . 1 . 2]" 1
473 1 11 PHE H 1 21 LEU QD 3.123 . 4.342 2.890 2.472 3.359 . 0 0 "[ . 1 . 2]" 1
474 1 36 LEU H 1 36 LEU HA 2.657 . 3.540 2.914 2.886 2.933 . 0 0 "[ . 1 . 2]" 1
475 1 33 ILE HA 1 36 LEU H 3.135 . 4.363 4.307 4.038 4.439 0.076 10 0 "[ . 1 . 2]" 1
476 1 35 CYS HB3 1 36 LEU H 2.959 . 6.000 4.454 4.293 4.528 . 0 0 "[ . 1 . 2]" 1
477 1 36 LEU H 1 39 PRO HB3 3.459 . 4.955 4.421 3.967 4.964 0.009 3 0 "[ . 1 . 2]" 1
478 1 36 LEU H 1 36 LEU HB2 2.207 . 2.816 2.376 2.275 2.437 . 0 0 "[ . 1 . 2]" 1
479 1 36 LEU H 1 36 LEU HB3 2.583 . 6.000 3.592 3.532 3.625 . 0 0 "[ . 1 . 2]" 1
480 1 36 LEU H 1 36 LEU MD1 2.765 . 3.721 3.744 3.684 3.772 0.051 1 0 "[ . 1 . 2]" 1
481 1 36 LEU H 1 36 LEU MD2 2.880 . 3.917 3.648 3.581 3.741 . 0 0 "[ . 1 . 2]" 1
482 1 36 LEU H 1 36 LEU HG 3.048 . 4.210 2.691 2.596 2.811 . 0 0 "[ . 1 . 2]" 1
483 1 13 ARG H 1 32 HIS H 3.886 . 5.774 5.226 4.941 5.431 . 0 0 "[ . 1 . 2]" 1
484 1 32 HIS H 1 35 CYS HA 3.623 . 5.263 5.323 5.273 5.390 0.127 7 0 "[ . 1 . 2]" 1
485 1 11 PHE HB2 1 11 PHE QD 2.231 . 2.853 2.354 2.314 2.412 . 0 0 "[ . 1 . 2]" 1
486 1 14 VAL MG1 1 31 TYR QE 2.563 . 6.000 4.556 4.273 4.873 . 0 0 "[ . 1 . 2]" 1
487 1 31 TYR HA 1 31 TYR QE 3.007 . 6.000 4.673 4.609 4.756 . 0 0 "[ . 1 . 2]" 1
488 1 24 CYS HA 1 48 TRP HZ3 2.336 . 3.018 2.520 2.365 2.603 . 0 0 "[ . 1 . 2]" 1
489 1 24 CYS HA 1 48 TRP HE3 2.015 . 2.523 2.038 1.961 2.211 . 0 0 "[ . 1 . 2]" 1
490 1 48 TRP HZ3 1 50 CYS HA 2.712 . 3.632 3.721 3.664 3.764 0.132 19 0 "[ . 1 . 2]" 1
491 1 48 TRP HZ2 1 50 CYS HA 2.286 . 2.939 2.898 2.752 3.037 0.098 18 0 "[ . 1 . 2]" 1
492 1 36 LEU MD2 1 48 TRP HZ2 2.131 . 2.699 1.694 1.564 1.760 . 0 0 "[ . 1 . 2]" 1
493 1 22 LEU QD 1 48 TRP HZ2 2.656 . 3.538 3.183 3.074 3.308 . 0 0 "[ . 1 . 2]" 1
494 1 21 LEU QD 1 32 HIS HD2 2.580 . 3.412 2.722 2.512 3.105 . 0 0 "[ . 1 . 2]" 1
495 1 17 ASP QB 1 32 HIS HD2 2.801 . 6.000 5.285 4.653 5.927 . 0 0 "[ . 1 . 2]" 1
496 1 32 HIS HA 1 32 HIS HD2 2.233 . 2.856 2.654 2.408 2.828 . 0 0 "[ . 1 . 2]" 1
497 1 23 CYS HA 1 30 SER HA 2.166 . 6.000 3.524 3.085 3.917 . 0 0 "[ . 1 . 2]" 1
498 1 30 SER HA 1 30 SER QB 2.309 . 2.937 2.255 2.173 2.375 . 0 0 "[ . 1 . 2]" 1
499 1 21 LEU QD 1 31 TYR HA 2.701 . 3.613 3.589 3.435 3.660 0.047 1 0 "[ . 1 . 2]" 1
500 1 21 LEU QD 1 30 SER QB 2.610 . 2.911 2.350 1.887 2.734 . 0 0 "[ . 1 . 2]" 1
501 1 18 GLY HA3 1 21 LEU QD 2.952 . 4.041 3.111 2.842 3.387 . 0 0 "[ . 1 . 2]" 1
502 1 21 LEU HA 1 22 LEU QD 2.275 . 6.000 4.689 4.480 4.849 . 0 0 "[ . 1 . 2]" 1
503 1 31 TYR HB3 1 31 TYR QD 2.309 . 6.000 2.263 2.251 2.275 . 0 0 "[ . 1 . 2]" 1
504 1 48 TRP HB2 1 48 TRP HD1 2.635 . 3.503 2.657 2.636 2.684 . 0 0 "[ . 1 . 2]" 1
505 1 9 MET ME 1 11 PHE QE 2.424 . 3.159 3.063 2.802 3.186 0.027 11 0 "[ . 1 . 2]" 1
506 1 31 TYR HB2 1 31 TYR QD 2.252 . 2.886 2.648 2.602 2.695 . 0 0 "[ . 1 . 2]" 1
507 1 10 GLU HG2 1 11 PHE QD 2.759 . 6.000 2.785 2.284 3.233 . 0 0 "[ . 1 . 2]" 1
508 1 11 PHE QE 1 16 LYS QE 2.687 . 3.590 2.618 1.722 3.428 0.062 13 0 "[ . 1 . 2]" 1
509 1 11 PHE QE 1 16 LYS HA 2.635 . 3.503 3.473 3.124 3.603 0.100 11 0 "[ . 1 . 2]" 1
510 1 11 PHE QE 1 13 ARG HA 2.610 . 6.000 3.963 3.107 4.293 . 0 0 "[ . 1 . 2]" 1
511 1 10 GLU HG3 1 11 PHE QE 3.024 . 6.000 2.858 2.561 3.260 . 0 0 "[ . 1 . 2]" 1
512 1 11 PHE QE 1 16 LYS HD2 2.752 . 3.699 2.205 1.946 3.104 . 0 0 "[ . 1 . 2]" 1
513 1 44 PRO HB2 1 48 TRP HD1 2.674 . 3.568 3.594 3.450 3.691 0.123 9 0 "[ . 1 . 2]" 1
514 1 40 LEU QD 1 48 TRP HD1 2.846 . 3.858 3.079 2.809 3.395 . 0 0 "[ . 1 . 2]" 1
515 1 22 LEU HG 1 48 TRP HZ2 2.563 . 6.000 4.191 4.071 4.291 . 0 0 "[ . 1 . 2]" 1
516 1 36 LEU MD1 1 48 TRP HZ2 2.304 . 2.967 1.970 1.891 2.064 . 0 0 "[ . 1 . 2]" 1
517 1 31 TYR QE 1 36 LEU MD2 2.759 . 6.000 3.485 3.269 3.701 . 0 0 "[ . 1 . 2]" 1
518 1 48 TRP HB3 1 48 TRP HD1 2.753 . 6.000 3.812 3.797 3.828 . 0 0 "[ . 1 . 2]" 1
519 1 30 SER HA 1 31 TYR QD 2.917 . 3.981 3.355 3.159 3.465 . 0 0 "[ . 1 . 2]" 1
520 1 31 TYR HA 1 31 TYR QD 2.539 . 3.345 3.073 2.974 3.123 . 0 0 "[ . 1 . 2]" 1
521 1 11 PHE HA 1 11 PHE QD 2.000 . 6.000 3.716 3.696 3.745 . 0 0 "[ . 1 . 2]" 1
522 1 13 ARG QD 1 31 TYR QE 2.257 . 2.893 2.602 2.234 2.867 . 0 0 "[ . 1 . 2]" 1
523 1 31 TYR QE 1 52 ARG QD 2.345 . 6.000 4.581 3.239 5.768 . 0 0 "[ . 1 . 2]" 1
524 1 10 GLU HG3 1 11 PHE QD 3.152 . 6.000 1.966 1.513 2.867 0.397 3 0 "[ . 1 . 2]" 1
525 1 13 ARG HB3 1 31 TYR QE 2.451 . 3.202 2.992 2.875 3.157 . 0 0 "[ . 1 . 2]" 1
526 1 14 VAL MG2 1 31 TYR QE 3.286 . 4.636 2.542 2.376 2.931 . 0 0 "[ . 1 . 2]" 1
527 1 48 TRP HZ3 1 49 LEU HA 2.709 . 6.000 4.417 4.294 4.541 . 0 0 "[ . 1 . 2]" 1
528 1 36 LEU MD2 1 51 PRO HA 2.728 . 6.000 4.660 4.356 4.906 . 0 0 "[ . 1 . 2]" 1
529 1 33 ILE MG 1 41 PRO HD2 2.315 . 6.000 5.359 5.088 5.649 . 0 0 "[ . 1 . 2]" 1
530 1 40 LEU HA 1 41 PRO HD3 2.094 . 2.642 1.975 1.749 2.355 . 0 0 "[ . 1 . 2]" 1
531 1 55 CYS HA 1 56 PRO QD 1.886 . 2.331 1.937 1.724 2.115 . 0 0 "[ . 1 . 2]" 1
532 1 31 TYR QD 1 36 LEU MD1 2.436 . 6.000 4.518 4.283 4.705 . 0 0 "[ . 1 . 2]" 1
533 1 25 ASP QB 1 49 LEU QD 2.035 . 2.553 2.340 2.093 2.539 . 0 0 "[ . 1 . 2]" 1
534 1 25 ASP QB 1 26 THR MG 2.237 . 6.000 3.086 2.835 4.014 . 0 0 "[ . 1 . 2]" 1
535 1 9 MET ME 1 9 MET HG3 2.089 . 2.635 2.775 2.497 3.393 0.758 15 5 "[ ** * 1 + - 2]" 1
536 1 12 CYS HB3 1 21 LEU QD 2.508 . 3.294 2.990 2.472 3.333 0.039 16 0 "[ . 1 . 2]" 1
537 1 22 LEU QD 1 44 PRO HG3 2.895 . 3.943 2.801 2.617 2.973 . 0 0 "[ . 1 . 2]" 1
538 1 43 ILE HA 1 43 ILE MD 2.591 . 3.430 2.101 1.994 2.231 . 0 0 "[ . 1 . 2]" 1
539 1 49 LEU QD 1 53 CYS HA 2.456 . 6.000 4.923 4.591 5.228 . 0 0 "[ . 1 . 2]" 1
540 1 22 LEU QD 1 48 TRP HA 2.970 . 6.000 4.852 4.749 5.047 . 0 0 "[ . 1 . 2]" 1
541 1 39 PRO HA 1 40 LEU QD 2.863 . 3.888 3.751 3.134 3.908 0.020 19 0 "[ . 1 . 2]" 1
542 1 21 LEU QD 1 30 SER HA 2.795 . 4.722 4.068 3.809 4.336 . 0 0 "[ . 1 . 2]" 1
543 1 31 TYR HB2 1 48 TRP HH2 2.559 . 3.378 2.531 2.174 2.800 . 0 0 "[ . 1 . 2]" 1
544 1 44 PRO HG3 1 48 TRP HD1 2.393 . 3.109 3.142 3.097 3.198 0.089 13 0 "[ . 1 . 2]" 1
545 1 11 PHE QD 1 16 LYS QB 3.660 . 5.335 3.377 2.766 3.783 . 0 0 "[ . 1 . 2]" 1
546 1 31 TYR HB2 1 36 LEU MD2 2.372 . 3.075 2.507 2.159 2.751 . 0 0 "[ . 1 . 2]" 1
547 1 21 LEU HB3 1 30 SER QB 2.869 . 3.898 1.828 1.627 1.971 0.213 8 0 "[ . 1 . 2]" 1
548 1 55 CYS HB2 1 56 PRO QD 2.683 . 3.583 3.447 2.629 4.233 0.650 18 2 "[ . - 1 . + 2]" 1
549 1 31 TYR QE 1 48 TRP HH2 2.443 . 6.000 4.855 4.387 5.103 . 0 0 "[ . 1 . 2]" 1
550 1 31 TYR QD 1 48 TRP HZ3 2.269 . 6.000 4.686 4.408 5.015 . 0 0 "[ . 1 . 2]" 1
551 1 13 ARG HA 1 31 TYR HA 2.300 . 6.000 5.766 5.542 5.905 . 0 0 "[ . 1 . 2]" 1
552 1 7 HIS HE1 1 8 HIS HA 2.614 . 6.000 5.986 5.404 6.161 0.161 6 0 "[ . 1 . 2]" 1
553 1 30 SER HA 1 31 TYR QE 3.371 . 6.000 5.296 5.005 5.428 . 0 0 "[ . 1 . 2]" 1
554 1 11 PHE QD 1 17 ASP HA 3.002 . 6.000 5.187 4.885 5.495 . 0 0 "[ . 1 . 2]" 1
555 1 48 TRP HH2 1 51 PRO HD3 2.706 . 3.621 3.423 3.142 3.849 0.228 18 0 "[ . 1 . 2]" 1
556 1 22 LEU QD 1 48 TRP HE3 3.163 . 3.509 3.315 3.264 3.350 . 0 0 "[ . 1 . 2]" 1
557 1 8 HIS HD2 1 28 PRO HA 2.290 . 6.000 4.219 3.506 5.070 . 0 0 "[ . 1 . 2]" 1
558 1 22 LEU QD 1 48 TRP HD1 3.288 . 4.639 3.367 3.259 3.646 . 0 0 "[ . 1 . 2]" 1
559 1 22 LEU QD 1 33 ILE MG 1.719 . 2.089 1.787 1.679 1.920 . 0 0 "[ . 1 . 2]" 1
560 1 22 LEU QD 1 43 ILE HB 2.525 . 6.000 4.011 3.956 4.100 . 0 0 "[ . 1 . 2]" 1
561 1 22 LEU QD 1 44 PRO HD2 2.530 . 2.971 1.675 1.588 1.758 0.142 20 0 "[ . 1 . 2]" 1
562 1 22 LEU QD 1 44 PRO HD3 2.452 . 3.204 2.056 1.944 2.122 . 0 0 "[ . 1 . 2]" 1
563 1 22 LEU QD 1 33 ILE HA 2.245 . 2.875 2.909 2.694 3.022 0.147 11 0 "[ . 1 . 2]" 1
564 1 11 PHE HB3 1 21 LEU QD 3.152 . 4.545 3.829 3.610 4.053 . 0 0 "[ . 1 . 2]" 1
565 1 11 PHE HB2 1 21 LEU QD 2.975 . 6.000 3.891 3.728 4.063 . 0 0 "[ . 1 . 2]" 1
566 1 21 LEU QD 1 32 HIS HB2 2.956 . 6.000 4.757 4.609 4.931 . 0 0 "[ . 1 . 2]" 1
567 1 10 GLU HA 1 21 LEU QD 2.875 . 3.056 2.947 2.571 3.135 0.079 17 0 "[ . 1 . 2]" 1
568 1 21 LEU HA 1 21 LEU QD 2.051 . 2.577 2.182 2.095 2.290 . 0 0 "[ . 1 . 2]" 1
569 1 22 LEU QD 1 48 TRP HB2 3.002 . 4.128 3.332 3.217 3.535 . 0 0 "[ . 1 . 2]" 1
570 1 36 LEU MD2 1 51 PRO HD3 2.573 . 3.401 2.066 1.848 2.383 . 0 0 "[ . 1 . 2]" 1
571 1 31 TYR HB3 1 36 LEU MD2 2.576 . 3.406 2.461 2.180 2.742 . 0 0 "[ . 1 . 2]" 1
572 1 40 LEU QD 1 44 PRO HD3 2.365 . 3.064 2.573 2.348 3.054 . 0 0 "[ . 1 . 2]" 1
573 1 33 ILE HA 1 36 LEU MD1 2.319 . 2.991 2.116 1.814 2.392 . 0 0 "[ . 1 . 2]" 1
574 1 40 LEU QD 1 41 PRO HD2 2.396 . 6.000 3.039 2.641 3.668 . 0 0 "[ . 1 . 2]" 1
575 1 40 LEU QD 1 41 PRO HD3 2.362 . 6.000 3.325 3.064 3.880 . 0 0 "[ . 1 . 2]" 1
576 1 43 ILE MG 1 44 PRO HD3 2.158 . 2.740 2.800 2.764 2.845 0.105 9 0 "[ . 1 . 2]" 1
577 1 43 ILE MG 1 44 PRO HD2 2.142 . 2.716 2.172 2.074 2.222 . 0 0 "[ . 1 . 2]" 1
578 1 28 PRO HD2 1 28 PRO HG2 2.427 . 3.163 2.298 2.281 2.325 . 0 0 "[ . 1 . 2]" 1
579 1 13 ARG HA 1 16 LYS QB 2.299 . 6.000 5.503 5.184 5.632 . 0 0 "[ . 1 . 2]" 1
580 1 34 HIS HA 1 39 PRO HB3 2.344 . 3.031 2.170 1.599 2.548 0.058 7 0 "[ . 1 . 2]" 1
581 1 8 HIS HD2 1 24 CYS HA 2.496 . 6.000 5.699 4.946 6.194 0.194 9 0 "[ . 1 . 2]" 1
582 1 13 ARG QD 1 31 TYR QD 2.357 . 6.000 4.341 3.869 4.616 . 0 0 "[ . 1 . 2]" 1
583 1 13 ARG QD 1 14 VAL MG2 2.513 . 6.000 4.064 3.861 4.264 . 0 0 "[ . 1 . 2]" 1
584 1 20 GLU HG2 1 33 ILE MD 2.192 . 6.000 4.933 3.998 5.659 . 0 0 "[ . 1 . 2]" 1
585 1 36 LEU MD2 1 51 PRO HG3 2.440 . 3.184 2.718 2.248 3.146 . 0 0 "[ . 1 . 2]" 1
586 1 40 LEU QD 1 44 PRO HD2 2.580 . 6.000 3.715 3.543 4.097 . 0 0 "[ . 1 . 2]" 1
587 1 43 ILE MD 1 44 PRO HD2 2.603 . 6.000 3.853 3.664 4.123 . 0 0 "[ . 1 . 2]" 1
588 1 36 LEU MD2 1 51 PRO HB2 2.866 . 6.000 4.804 4.438 5.221 . 0 0 "[ . 1 . 2]" 1
589 1 33 ILE MG 1 44 PRO HD3 2.990 . 4.108 2.502 2.156 2.725 . 0 0 "[ . 1 . 2]" 1
590 1 33 ILE MG 1 43 ILE HA 2.435 . 3.176 2.320 2.068 2.538 . 0 0 "[ . 1 . 2]" 1
591 1 22 LEU QD 1 48 TRP HB3 2.956 . 4.049 3.033 2.922 3.182 . 0 0 "[ . 1 . 2]" 1
592 1 36 LEU MD2 1 51 PRO HD2 2.708 . 3.625 3.146 2.770 3.544 . 0 0 "[ . 1 . 2]" 1
593 1 32 HIS HB2 1 36 LEU MD2 4.058 . 6.116 5.756 5.405 6.051 . 0 0 "[ . 1 . 2]" 1
594 1 34 HIS HA 1 39 PRO HB2 2.365 . 6.000 3.827 3.304 4.277 . 0 0 "[ . 1 . 2]" 1
595 1 34 HIS HA 1 39 PRO HG3 2.745 . 3.687 3.688 3.088 3.783 0.096 11 0 "[ . 1 . 2]" 1
596 1 37 ASN HA 1 38 PRO HB3 3.698 . 6.000 5.999 5.868 6.059 0.059 17 0 "[ . 1 . 2]" 1
597 1 8 HIS HA 1 28 PRO HB2 2.605 . 3.453 2.395 1.904 3.359 . 0 0 "[ . 1 . 2]" 1
598 1 27 CYS HA 1 28 PRO HB3 2.706 . 6.000 4.811 4.598 5.279 . 0 0 "[ . 1 . 2]" 1
599 1 27 CYS HA 1 28 PRO HD2 2.313 . 2.982 2.744 2.556 3.006 0.024 3 0 "[ . 1 . 2]" 1
600 1 37 ASN HA 1 39 PRO HD2 2.519 . 6.000 5.782 5.212 6.238 0.238 14 0 "[ . 1 . 2]" 1
601 1 36 LEU MD2 1 37 ASN HD21 2.855 . 3.874 3.986 3.892 4.322 0.448 5 0 "[ . 1 . 2]" 1
602 1 40 LEU QD 1 48 TRP HZ2 2.875 . 6.000 4.239 3.966 4.577 . 0 0 "[ . 1 . 2]" 1
603 1 36 LEU MD2 1 48 TRP HH2 2.596 . 3.438 2.506 2.428 2.590 . 0 0 "[ . 1 . 2]" 1
604 1 22 LEU HG 1 48 TRP HH2 3.338 . 4.731 4.088 3.957 4.185 . 0 0 "[ . 1 . 2]" 1
605 1 36 LEU MD1 1 48 TRP HH2 2.700 . 3.611 3.610 3.548 3.661 0.050 15 0 "[ . 1 . 2]" 1
606 1 22 LEU QD 1 48 TRP HZ3 3.147 . 4.385 3.971 3.885 4.033 . 0 0 "[ . 1 . 2]" 1
607 1 36 LEU MD2 1 48 TRP HZ3 2.800 . 6.000 4.559 4.454 4.655 . 0 0 "[ . 1 . 2]" 1
608 1 22 LEU HG 1 48 TRP HD1 2.767 . 6.000 4.610 4.465 4.745 . 0 0 "[ . 1 . 2]" 1
609 1 11 PHE QD 1 16 LYS HD3 3.918 . 5.837 3.600 2.086 4.755 . 0 0 "[ . 1 . 2]" 1
610 1 11 PHE QD 1 16 LYS HG2 2.919 . 3.984 3.954 1.974 4.128 0.144 10 0 "[ . 1 . 2]" 1
611 1 36 LEU MD1 1 48 TRP HZ3 3.451 . 4.939 4.990 4.952 5.035 0.096 16 0 "[ . 1 . 2]" 1
612 1 31 TYR HB2 1 48 TRP HZ3 2.788 . 6.000 4.200 3.762 4.551 . 0 0 "[ . 1 . 2]" 1
613 1 24 CYS HB3 1 48 TRP HZ3 2.846 . 3.859 3.738 3.550 3.878 0.019 15 0 "[ . 1 . 2]" 1
614 1 31 TYR HB3 1 48 TRP HH2 2.724 . 6.000 3.933 3.409 4.295 . 0 0 "[ . 1 . 2]" 1
615 1 48 TRP HH2 1 50 CYS HB2 3.035 . 4.187 3.147 3.057 3.283 . 0 0 "[ . 1 . 2]" 1
616 1 48 TRP HZ3 1 50 CYS HB2 3.159 . 4.406 4.284 4.215 4.384 . 0 0 "[ . 1 . 2]" 1
617 1 29 SER QB 1 31 TYR QD 2.321 . 2.994 2.852 2.623 3.007 0.013 2 0 "[ . 1 . 2]" 1
618 1 29 SER QB 1 31 TYR QE 2.112 . 2.670 2.131 1.588 2.482 . 0 0 "[ . 1 . 2]" 1
619 1 11 PHE QD 1 16 LYS HA 2.109 . 2.665 1.737 1.498 2.019 0.055 10 0 "[ . 1 . 2]" 1
620 1 12 CYS HA 1 32 HIS HE1 2.822 . 6.000 5.879 5.660 6.097 0.097 18 0 "[ . 1 . 2]" 1
621 1 44 PRO HG2 1 48 TRP HD1 2.454 . 3.207 2.275 2.114 2.544 . 0 0 "[ . 1 . 2]" 1
622 1 13 ARG HB3 1 31 TYR QD 3.105 . 4.310 3.759 3.626 3.853 . 0 0 "[ . 1 . 2]" 1
623 1 11 PHE QE 1 16 LYS HD3 2.932 . 4.007 2.973 2.027 4.150 0.143 13 0 "[ . 1 . 2]" 1
624 1 11 PHE QE 1 16 LYS HG2 3.574 . 5.171 4.382 2.190 4.642 . 0 0 "[ . 1 . 2]" 1
625 1 8 HIS HD2 1 30 SER HA 3.422 . 4.886 2.786 1.929 3.461 0.029 11 0 "[ . 1 . 2]" 1
626 1 31 TYR HA 1 32 HIS HD2 4.592 . 7.228 5.826 5.656 6.064 . 0 0 "[ . 1 . 2]" 1
627 1 8 HIS HD2 1 29 SER HA 2.687 . 6.000 4.749 4.210 5.101 . 0 0 "[ . 1 . 2]" 1
628 1 24 CYS HB2 1 48 TRP HZ3 3.031 . 4.179 2.220 2.051 2.320 . 0 0 "[ . 1 . 2]" 1
629 1 9 MET ME 1 11 PHE QD 2.504 . 3.288 3.179 2.873 3.332 0.044 4 0 "[ . 1 . 2]" 1
630 1 11 PHE QD 1 16 LYS HD2 2.899 . 3.950 2.832 2.210 4.193 0.243 13 0 "[ . 1 . 2]" 1
631 1 44 PRO HG2 1 48 TRP HZ2 3.939 . 5.878 5.780 5.417 5.902 0.024 18 0 "[ . 1 . 2]" 1
632 1 44 PRO HB3 1 48 TRP HD1 3.228 . 4.531 3.533 3.024 3.737 . 0 0 "[ . 1 . 2]" 1
633 1 48 TRP HE3 1 50 CYS HA 3.031 . 6.000 4.841 4.764 4.911 . 0 0 "[ . 1 . 2]" 1
634 1 8 HIS HD2 1 30 SER QB 3.170 . 4.426 3.250 2.102 4.268 . 0 0 "[ . 1 . 2]" 1
635 1 48 TRP HE1 1 50 CYS HA 3.486 . 5.005 4.773 4.621 4.922 . 0 0 "[ . 1 . 2]" 1
636 1 36 LEU MD2 1 48 TRP HE1 3.212 . 4.502 3.675 3.567 3.784 . 0 0 "[ . 1 . 2]" 1
637 1 26 THR H 1 26 THR HA 2.435 . 3.176 2.935 2.900 2.947 . 0 0 "[ . 1 . 2]" 1
638 1 9 MET H 1 9 MET HG3 2.621 . 3.480 2.247 1.676 2.844 0.086 8 0 "[ . 1 . 2]" 1
639 1 12 CYS HA 1 13 ARG H 2.187 . 2.785 2.147 2.090 2.189 . 0 0 "[ . 1 . 2]" 1
640 1 13 ARG H 1 13 ARG QD 3.293 . 4.648 4.361 4.131 4.563 . 0 0 "[ . 1 . 2]" 1
641 1 53 CYS H 1 53 CYS HA 2.412 . 3.139 2.895 2.845 2.908 . 0 0 "[ . 1 . 2]" 1
642 1 32 HIS H 1 32 HIS HB2 2.606 . 3.455 2.468 2.333 2.602 . 0 0 "[ . 1 . 2]" 1
643 1 26 THR H 1 27 CYS HA 3.497 . 5.025 4.904 4.733 5.029 0.004 5 0 "[ . 1 . 2]" 1
644 1 25 ASP QB 1 26 THR H 2.771 . 3.731 3.142 2.951 3.356 . 0 0 "[ . 1 . 2]" 1
645 1 29 SER H 1 30 SER HA 3.502 . 6.000 5.158 5.003 5.333 . 0 0 "[ . 1 . 2]" 1
646 1 30 SER HA 1 31 TYR H 2.372 . 3.075 2.137 2.067 2.174 . 0 0 "[ . 1 . 2]" 1
647 1 27 CYS HA 1 29 SER H 3.597 . 5.215 4.375 4.196 4.568 . 0 0 "[ . 1 . 2]" 1
648 1 23 CYS HA 1 29 SER H 3.774 . 5.554 5.193 4.642 5.563 0.009 7 0 "[ . 1 . 2]" 1
649 1 24 CYS HA 1 29 SER H 3.335 . 6.000 5.529 5.344 5.768 . 0 0 "[ . 1 . 2]" 1
650 1 24 CYS HA 1 31 TYR H 6.789 . 12.550 6.778 6.502 7.057 . 0 0 "[ . 1 . 2]" 1
651 1 28 PRO HA 1 29 SER H 3.022 . 4.164 2.882 2.703 3.083 . 0 0 "[ . 1 . 2]" 1
652 1 28 PRO HD3 1 29 SER H 3.429 . 4.899 4.593 4.389 4.772 . 0 0 "[ . 1 . 2]" 1
653 1 28 PRO HD2 1 29 SER H 3.124 . 4.344 3.912 3.566 4.296 . 0 0 "[ . 1 . 2]" 1
654 1 24 CYS HB3 1 29 SER H 3.236 . 4.545 2.651 2.509 2.842 . 0 0 "[ . 1 . 2]" 1
655 1 8 HIS QB 1 29 SER H 4.032 . 6.064 3.933 3.173 4.963 . 0 0 "[ . 1 . 2]" 1
656 1 28 PRO QG 1 29 SER H 4.147 . 6.297 4.241 3.787 4.832 . 0 0 "[ . 1 . 2]" 1
657 1 31 TYR H 1 48 TRP HZ3 4.140 . 6.283 4.601 4.378 4.841 . 0 0 "[ . 1 . 2]" 1
658 1 31 TYR H 1 48 TRP HZ2 3.097 . 6.000 6.061 6.027 6.088 0.088 19 0 "[ . 1 . 2]" 1
659 1 31 TYR H 1 31 TYR QE 3.592 . 6.000 5.396 5.205 5.565 . 0 0 "[ . 1 . 2]" 1
660 1 23 CYS HA 1 31 TYR H 2.935 . 6.000 4.704 4.303 4.975 . 0 0 "[ . 1 . 2]" 1
661 1 29 SER HA 1 31 TYR H 2.937 . 6.000 6.043 5.881 6.114 0.114 8 0 "[ . 1 . 2]" 1
662 1 30 SER QB 1 31 TYR H 2.857 . 3.877 3.161 2.992 3.351 . 0 0 "[ . 1 . 2]" 1
663 1 24 CYS HB3 1 25 ASP H 3.095 . 4.292 4.184 4.114 4.277 . 0 0 "[ . 1 . 2]" 1
664 1 22 LEU HB3 1 31 TYR H 3.002 . 4.129 3.353 3.183 3.550 . 0 0 "[ . 1 . 2]" 1
665 1 33 ILE H 1 36 LEU MD1 3.594 . 5.208 4.383 4.060 4.711 . 0 0 "[ . 1 . 2]" 1
666 1 18 GLY H 1 21 LEU QD 4.171 . 6.346 4.136 3.969 4.304 . 0 0 "[ . 1 . 2]" 1
667 1 47 GLU HG3 1 48 TRP H 3.283 . 4.630 3.821 3.332 4.090 . 0 0 "[ . 1 . 2]" 1
668 1 47 GLU HG2 1 48 TRP H 3.382 . 4.812 3.693 3.483 4.028 . 0 0 "[ . 1 . 2]" 1
669 1 48 TRP H 1 49 LEU QD 3.171 . 4.155 3.668 3.596 3.968 . 0 0 "[ . 1 . 2]" 1
670 1 21 LEU HB3 1 22 LEU H 2.741 . 3.680 3.170 2.840 3.397 . 0 0 "[ . 1 . 2]" 1
671 1 50 CYS H 1 54 THR MG 3.721 . 5.452 4.376 3.862 5.204 . 0 0 "[ . 1 . 2]" 1
672 1 21 LEU HG 1 22 LEU H 3.591 . 5.203 5.054 4.781 5.226 0.023 13 0 "[ . 1 . 2]" 1
673 1 25 ASP QB 1 48 TRP H 2.957 . 4.050 3.264 2.856 3.510 . 0 0 "[ . 1 . 2]" 1
674 1 50 CYS H 1 51 PRO HD2 3.111 . 6.000 4.976 4.689 5.229 . 0 0 "[ . 1 . 2]" 1
675 1 50 CYS H 1 50 CYS HA 2.758 . 3.709 2.838 2.822 2.849 . 0 0 "[ . 1 . 2]" 1
676 1 50 CYS H 1 53 CYS HA 3.715 . 6.000 5.686 5.528 5.830 . 0 0 "[ . 1 . 2]" 1
677 1 24 CYS HA 1 50 CYS H 3.034 . 4.184 3.615 3.451 3.894 . 0 0 "[ . 1 . 2]" 1
678 1 44 PRO HG2 1 48 TRP H 4.007 . 6.014 5.370 5.232 5.492 . 0 0 "[ . 1 . 2]" 1
679 1 48 TRP H 1 49 LEU HA 3.254 . 6.000 5.052 4.953 5.161 . 0 0 "[ . 1 . 2]" 1
680 1 48 TRP H 1 48 TRP HE3 3.740 . 5.488 4.299 4.168 4.408 . 0 0 "[ . 1 . 2]" 1
681 1 22 LEU H 1 48 TRP HZ3 3.670 . 5.353 5.325 5.120 5.410 0.057 13 0 "[ . 1 . 2]" 1
682 1 8 HIS HD2 1 22 LEU H 4.030 . 6.060 5.821 5.006 6.327 0.267 8 0 "[ . 1 . 2]" 1
683 1 32 HIS H 1 32 HIS HD2 3.776 . 5.558 4.502 4.383 4.669 . 0 0 "[ . 1 . 2]" 1
684 1 14 VAL H 1 31 TYR QD 3.563 . 5.150 4.368 4.246 4.561 . 0 0 "[ . 1 . 2]" 1
685 1 31 TYR HA 1 32 HIS H 2.258 . 2.895 2.366 2.301 2.423 . 0 0 "[ . 1 . 2]" 1
686 1 32 HIS H 1 32 HIS HA 2.824 . 3.821 2.921 2.893 2.936 . 0 0 "[ . 1 . 2]" 1
687 1 14 VAL H 1 16 LYS HA 3.093 . 6.000 5.486 5.310 5.654 . 0 0 "[ . 1 . 2]" 1
688 1 31 TYR HB3 1 32 HIS H 2.661 . 3.546 2.652 2.499 2.853 . 0 0 "[ . 1 . 2]" 1
689 1 13 ARG QD 1 14 VAL H 3.395 . 4.835 4.638 4.496 4.700 . 0 0 "[ . 1 . 2]" 1
690 1 10 GLU H 1 10 GLU HG2 3.321 . 4.700 2.014 1.511 3.950 0.431 2 0 "[ . 1 . 2]" 1
691 1 9 MET H 1 30 SER QB 3.462 . 4.960 3.529 3.061 4.138 . 0 0 "[ . 1 . 2]" 1
692 1 9 MET H 1 28 PRO HA 3.303 . 4.667 4.309 3.648 4.804 0.137 15 0 "[ . 1 . 2]" 1
693 1 13 ARG H 1 31 TYR HA 2.891 . 3.936 3.210 2.935 3.456 . 0 0 "[ . 1 . 2]" 1
694 1 11 PHE QD 1 17 ASP H 3.290 . 4.643 4.310 3.233 4.609 . 0 0 "[ . 1 . 2]" 1
695 1 42 GLU HA 1 43 ILE H 2.226 . 2.845 2.373 2.292 2.543 . 0 0 "[ . 1 . 2]" 1
696 1 44 PRO HA 1 45 ASN H 2.525 . 3.322 2.222 2.137 2.336 . 0 0 "[ . 1 . 2]" 1
697 1 43 ILE H 1 43 ILE HA 2.605 . 3.453 2.762 2.733 2.809 . 0 0 "[ . 1 . 2]" 1
698 1 12 CYS HB2 1 13 ARG H 3.403 . 4.851 4.238 4.015 4.339 . 0 0 "[ . 1 . 2]" 1
699 1 15 CYS HB2 1 17 ASP H 3.039 . 4.194 2.602 2.024 3.777 . 0 0 "[ . 1 . 2]" 1
700 1 51 PRO HD2 1 52 ARG H 3.452 . 4.942 3.101 2.864 3.367 . 0 0 "[ . 1 . 2]" 1
701 1 50 CYS HA 1 52 ARG H 3.797 . 5.599 4.202 4.053 4.425 . 0 0 "[ . 1 . 2]" 1
702 1 50 CYS HB2 1 52 ARG H 3.293 . 4.648 3.293 3.068 3.565 . 0 0 "[ . 1 . 2]" 1
703 1 45 ASN H 1 45 ASN HB2 2.765 . 3.721 2.687 2.287 3.650 . 0 0 "[ . 1 . 2]" 1
704 1 24 CYS H 1 24 CYS HB3 2.585 . 3.420 2.691 2.594 2.751 . 0 0 "[ . 1 . 2]" 1
705 1 9 MET HG3 1 13 ARG H 3.747 . 5.502 5.498 4.944 5.600 0.098 16 0 "[ . 1 . 2]" 1
706 1 44 PRO HB3 1 45 ASN H 3.151 . 4.392 3.176 2.832 3.471 . 0 0 "[ . 1 . 2]" 1
707 1 42 GLU QB 1 43 ILE H 2.523 . 3.319 2.909 2.319 3.308 . 0 0 "[ . 1 . 2]" 1
708 1 42 GLU HG3 1 43 ILE H 2.718 . 3.642 3.255 2.147 4.635 0.993 4 3 "[ +- 1 * . 2]" 1
709 1 12 CYS HB3 1 17 ASP H 2.912 . 3.972 3.042 2.584 3.761 . 0 0 "[ . 1 . 2]" 1
710 1 47 GLU H 1 47 GLU HG2 3.218 . 4.512 4.459 4.379 4.552 0.040 2 0 "[ . 1 . 2]" 1
711 1 47 GLU H 1 47 GLU HG3 3.120 . 4.337 4.455 4.317 4.584 0.247 10 0 "[ . 1 . 2]" 1
712 1 16 LYS HA 1 17 ASP H 2.591 . 3.430 3.069 2.412 3.207 . 0 0 "[ . 1 . 2]" 1
713 1 11 PHE HA 1 12 CYS H 2.382 . 3.091 2.203 2.145 2.291 . 0 0 "[ . 1 . 2]" 1
714 1 23 CYS HA 1 24 CYS H 2.419 . 3.151 2.190 2.091 2.262 . 0 0 "[ . 1 . 2]" 1
715 1 24 CYS H 1 30 SER HA 3.080 . 4.266 3.776 3.294 4.251 . 0 0 "[ . 1 . 2]" 1
716 1 24 CYS H 1 48 TRP HH2 3.743 . 5.494 4.628 4.427 4.972 . 0 0 "[ . 1 . 2]" 1
717 1 11 PHE HB2 1 12 CYS H 2.837 . 3.843 2.669 2.464 2.783 . 0 0 "[ . 1 . 2]" 1
718 1 22 LEU HB3 1 23 CYS H 2.999 . 4.123 4.180 4.106 4.239 0.116 8 0 "[ . 1 . 2]" 1
719 1 13 ARG H 1 31 TYR QD 4.078 . 6.157 3.769 3.617 3.914 . 0 0 "[ . 1 . 2]" 1
720 1 17 ASP H 1 32 HIS HE1 3.118 . 4.333 3.786 3.425 4.312 . 0 0 "[ . 1 . 2]" 1
721 1 11 PHE QD 1 12 CYS H 3.529 . 5.085 4.006 3.737 4.160 . 0 0 "[ . 1 . 2]" 1
722 1 37 ASN H 1 38 PRO HA 2.970 . 6.000 5.243 5.079 6.106 0.106 7 0 "[ . 1 . 2]" 1
723 1 26 THR HA 1 27 CYS H 2.577 . 3.407 3.404 3.266 3.507 0.100 5 0 "[ . 1 . 2]" 1
724 1 25 ASP QB 1 27 CYS H 3.370 . 6.000 4.926 4.839 5.001 . 0 0 "[ . 1 . 2]" 1
725 1 27 CYS H 1 28 PRO HD2 3.573 . 5.169 4.995 4.861 5.265 0.096 3 0 "[ . 1 . 2]" 1
726 1 56 PRO QD 1 57 ALA H 3.618 . 5.254 3.723 2.332 4.855 . 0 0 "[ . 1 . 2]" 1
727 1 14 VAL HA 1 15 CYS H 2.937 . 4.015 3.563 3.536 3.598 . 0 0 "[ . 1 . 2]" 1
728 1 52 ARG HA 1 53 CYS H 2.681 . 3.580 3.495 3.441 3.557 . 0 0 "[ . 1 . 2]" 1
729 1 54 THR HA 1 55 CYS H 2.462 . 3.220 3.269 3.057 3.410 0.190 9 0 "[ . 1 . 2]" 1
730 1 53 CYS HA 1 54 THR H 2.226 . 6.000 3.424 3.376 3.489 . 0 0 "[ . 1 . 2]" 1
731 1 51 PRO HA 1 54 THR H 2.919 . 3.984 3.471 3.185 3.942 . 0 0 "[ . 1 . 2]" 1
732 1 15 CYS HA 1 16 LYS H 2.925 . 3.994 3.400 3.320 3.446 . 0 0 "[ . 1 . 2]" 1
733 1 57 ALA HA 1 58 LEU H 2.716 . 3.638 2.397 2.125 3.574 . 0 0 "[ . 1 . 2]" 1
734 1 11 PHE QD 1 16 LYS H 3.314 . 4.687 3.447 3.251 3.866 . 0 0 "[ . 1 . 2]" 1
735 1 52 ARG QD 1 53 CYS H 3.778 . 5.562 4.532 3.984 5.207 . 0 0 "[ . 1 . 2]" 1
736 1 52 ARG HG2 1 53 CYS H 3.386 . 4.819 4.772 3.135 5.314 0.495 11 0 "[ . 1 . 2]" 1
737 1 49 LEU HB3 1 54 THR H 3.416 . 4.875 3.587 2.899 4.476 . 0 0 "[ . 1 . 2]" 1
738 1 39 PRO HB2 1 40 LEU H 2.813 . 3.802 3.689 3.418 3.878 0.076 2 0 "[ . 1 . 2]" 1
739 1 33 ILE MG 1 40 LEU H 3.166 . 4.419 3.942 3.602 4.178 . 0 0 "[ . 1 . 2]" 1
740 1 36 LEU MD1 1 40 LEU H 3.088 . 4.280 3.734 3.213 4.261 . 0 0 "[ . 1 . 2]" 1
741 1 51 PRO HA 1 55 CYS H 3.752 . 5.512 4.988 4.343 5.540 0.028 15 0 "[ . 1 . 2]" 1
742 1 40 LEU H 1 41 PRO HD3 3.399 . 4.843 4.646 4.415 4.906 0.063 20 0 "[ . 1 . 2]" 1
743 1 40 LEU H 1 41 PRO HD2 2.731 . 6.000 5.162 4.778 5.366 . 0 0 "[ . 1 . 2]" 1
744 1 29 SER QB 1 30 SER H 2.705 . 3.620 2.930 2.559 3.263 . 0 0 "[ . 1 . 2]" 1
745 1 39 PRO HA 1 40 LEU H 2.196 . 2.799 2.124 2.087 2.183 . 0 0 "[ . 1 . 2]" 1
746 1 29 SER HA 1 30 SER H 2.175 . 2.766 2.207 2.116 2.328 . 0 0 "[ . 1 . 2]" 1
747 1 35 CYS H 1 35 CYS HA 2.632 . 3.498 2.942 2.937 2.950 . 0 0 "[ . 1 . 2]" 1
748 1 41 PRO HB2 1 42 GLU H 3.290 . 4.643 3.460 3.017 3.901 . 0 0 "[ . 1 . 2]" 1
749 1 33 ILE HB 1 42 GLU H 2.677 . 6.000 4.125 3.907 4.483 . 0 0 "[ . 1 . 2]" 1
750 1 40 LEU HG 1 42 GLU H 3.088 . 6.000 5.078 4.233 5.473 . 0 0 "[ . 1 . 2]" 1
751 1 34 HIS H 1 35 CYS HB2 3.551 . 5.127 4.589 4.368 4.747 . 0 0 "[ . 1 . 2]" 1
752 1 34 HIS H 1 39 PRO HB3 3.900 . 5.801 4.985 4.440 5.285 . 0 0 "[ . 1 . 2]" 1
753 1 9 MET HA 1 11 PHE H 3.084 . 4.273 4.009 3.748 4.194 . 0 0 "[ . 1 . 2]" 1
754 1 10 GLU HA 1 11 PHE H 2.810 . 3.797 2.972 2.843 3.149 . 0 0 "[ . 1 . 2]" 1
755 1 45 ASN HB2 1 45 ASN HD22 3.518 . 5.065 3.760 3.472 4.077 . 0 0 "[ . 1 . 2]" 1
756 1 10 GLU HG2 1 11 PHE H 3.587 . 5.195 3.797 3.122 4.115 . 0 0 "[ . 1 . 2]" 1
757 1 10 GLU HB2 1 11 PHE H 3.248 . 4.567 4.406 4.267 4.545 . 0 0 "[ . 1 . 2]" 1
758 1 10 GLU HG3 1 11 PHE H 3.785 . 5.575 4.275 4.027 4.758 . 0 0 "[ . 1 . 2]" 1
759 1 34 HIS HA 1 36 LEU H 3.378 . 4.804 3.518 3.253 3.893 . 0 0 "[ . 1 . 2]" 1
760 1 36 LEU H 1 39 PRO HA 2.929 . 4.002 3.630 3.255 3.990 . 0 0 "[ . 1 . 2]" 1
761 1 35 CYS HA 1 36 LEU H 2.944 . 4.028 2.990 2.926 3.130 . 0 0 "[ . 1 . 2]" 1
762 1 34 HIS QB 1 36 LEU H 3.523 . 5.075 4.614 4.458 4.775 . 0 0 "[ . 1 . 2]" 1
763 1 35 CYS HB2 1 36 LEU H 3.476 . 4.987 3.913 3.740 3.989 . 0 0 "[ . 1 . 2]" 1
764 1 31 TYR HB3 1 36 LEU H 3.809 . 5.623 4.931 4.685 5.127 . 0 0 "[ . 1 . 2]" 1
765 1 31 TYR HB2 1 36 LEU H 4.389 . 6.797 6.349 5.994 6.728 . 0 0 "[ . 1 . 2]" 1
766 1 36 LEU H 1 39 PRO HG3 4.409 . 6.839 4.126 3.606 4.559 . 0 0 "[ . 1 . 2]" 1
767 1 33 ILE MG 1 36 LEU H 4.004 . 6.008 5.838 5.660 5.966 . 0 0 "[ . 1 . 2]" 1
768 2 4 LYS HB3 2 5 GLN H 2.652 . 3.531 2.741 1.803 3.554 0.023 17 0 "[ . 1 . 2]" 1
769 2 6 THR MG 2 7 ALA H 2.551 . 3.365 1.851 1.638 2.338 0.099 7 0 "[ . 1 . 2]" 1
770 2 5 GLN H 2 6 THR MG 2.971 . 4.074 3.920 3.424 4.123 0.049 17 0 "[ . 1 . 2]" 1
771 2 5 GLN QG 2 6 THR H 3.018 . 6.000 4.262 3.214 4.765 . 0 0 "[ . 1 . 2]" 1
772 2 5 GLN HB2 2 6 THR H 2.832 . 6.000 4.524 4.353 4.634 . 0 0 "[ . 1 . 2]" 1
773 2 4 LYS HB2 2 5 GLN H 2.614 . 3.468 3.559 3.082 3.804 0.336 1 0 "[ . 1 . 2]" 1
774 2 4 LYS HG2 2 5 GLN H 6.198 . 11.000 3.254 1.695 4.547 . 0 0 "[ . 1 . 2]" 1
775 2 7 ALA MB 2 8 ARG H 2.227 . 6.000 3.611 3.525 3.694 . 0 0 "[ . 1 . 2]" 1
776 2 2 ARG HG2 2 3 THR H 3.005 . 4.134 2.812 2.021 4.505 0.371 10 0 "[ . 1 . 2]" 1
777 2 2 ARG HB3 2 3 THR H 3.075 . 4.257 3.599 2.246 4.166 . 0 0 "[ . 1 . 2]" 1
778 2 2 ARG HB2 2 3 THR H 4.226 . 6.459 4.090 3.150 4.476 . 0 0 "[ . 1 . 2]" 1
779 2 5 GLN QE 2 5 GLN QG 2.642 . 3.515 2.123 2.098 2.145 . 0 0 "[ . 1 . 2]" 1
780 2 3 THR HB 2 4 LYS H 2.230 . 6.000 3.107 2.037 3.495 . 0 0 "[ . 1 . 2]" 1
781 2 8 ARG HB3 2 9 . H 3.493 . 5.018 3.929 3.462 4.368 . 0 0 "[ . 1 . 2]" 1
782 2 8 ARG HB2 2 9 . H 3.342 . 4.738 2.837 1.965 4.184 . 0 0 "[ . 1 . 2]" 1
783 2 8 ARG QD 2 9 . H 3.651 . 5.317 4.779 2.717 5.047 . 0 0 "[ . 1 . 2]" 1
784 2 3 THR MG 2 4 LYS H 2.489 . 3.263 3.066 2.601 3.257 . 0 0 "[ . 1 . 2]" 1
785 2 2 ARG HD2 2 3 THR H 4.019 . 6.038 4.842 3.105 6.007 . 0 0 "[ . 1 . 2]" 1
786 2 2 ARG HD3 2 3 THR H 3.704 . 5.419 4.391 1.869 5.372 0.120 10 0 "[ . 1 . 2]" 1
787 2 4 LYS H 2 5 GLN QG 3.696 . 5.403 4.650 4.087 5.332 . 0 0 "[ . 1 . 2]" 1
788 2 6 THR HA 2 7 ALA MB 2.582 . 6.000 4.331 4.159 4.480 . 0 0 "[ . 1 . 2]" 1
789 2 7 ALA MB 2 8 ARG QD 3.429 . 4.898 4.492 4.258 5.791 0.893 17 1 "[ . 1 . + 2]" 1
790 2 4 LYS HE2 2 6 THR MG 2.273 . 6.000 3.489 2.760 4.298 . 0 0 "[ . 1 . 2]" 1
791 2 4 LYS HE3 2 6 THR MG 2.227 . 2.847 2.483 1.950 2.945 0.098 8 0 "[ . 1 . 2]" 1
792 2 2 ARG HA 2 3 THR MG 2.980 . 6.000 4.661 4.491 4.770 . 0 0 "[ . 1 . 2]" 1
793 2 5 GLN HA 2 6 THR MG 2.974 . 4.079 3.564 3.238 4.007 . 0 0 "[ . 1 . 2]" 1
794 2 4 LYS HA 2 5 GLN QG 2.968 . 6.000 4.314 3.627 5.450 . 0 0 "[ . 1 . 2]" 1
795 2 2 ARG HA 2 3 THR HA 3.585 . 5.192 4.477 4.379 4.572 . 0 0 "[ . 1 . 2]" 1
796 2 3 THR MG 2 5 GLN QE 3.757 . 5.522 4.888 4.520 5.159 . 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 96
_Distance_constraint_stats_list.Viol_count 637
_Distance_constraint_stats_list.Viol_total 1915.160
_Distance_constraint_stats_list.Viol_max 0.952
_Distance_constraint_stats_list.Viol_rms 0.1015
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0499
_Distance_constraint_stats_list.Viol_average_violations_only 0.1503
_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 10 GLU 2.235 0.257 18 0 "[ . 1 . 2]"
1 11 PHE 3.653 0.261 9 0 "[ . 1 . 2]"
1 17 ASP 8.425 0.952 10 5 "[** . + * -]"
1 18 GLY 12.248 0.382 14 0 "[ . 1 . 2]"
1 19 GLY 0.032 0.029 20 0 "[ . 1 . 2]"
1 20 GLU 19.870 0.833 13 1 "[ . 1 + . 2]"
1 21 LEU 6.596 0.206 13 0 "[ . 1 . 2]"
1 22 LEU 6.027 0.262 4 0 "[ . 1 . 2]"
1 23 CYS 9.916 0.454 10 0 "[ . 1 . 2]"
1 24 CYS 0.170 0.074 16 0 "[ . 1 . 2]"
1 25 ASP 0.479 0.088 15 0 "[ . 1 . 2]"
1 43 ILE 10.826 0.438 19 0 "[ . 1 . 2]"
1 44 PRO 5.638 0.379 20 0 "[ . 1 . 2]"
1 46 GLY 0.023 0.021 6 0 "[ . 1 . 2]"
1 47 GLU 3.651 0.274 18 0 "[ . 1 . 2]"
1 48 TRP 5.969 0.211 17 0 "[ . 1 . 2]"
2 1 ALA 16.115 0.379 20 0 "[ . 1 . 2]"
2 2 ARG 4.265 0.245 10 0 "[ . 1 . 2]"
2 3 THR 29.091 0.454 10 0 "[ . 1 . 2]"
2 4 LYS 3.470 0.257 18 0 "[ . 1 . 2]"
2 5 GLN 5.592 0.307 5 0 "[ . 1 . 2]"
2 6 THR 7.465 0.261 9 0 "[ . 1 . 2]"
2 7 ALA 1.556 0.199 10 0 "[ . 1 . 2]"
2 8 ARG 20.087 0.833 13 1 "[ . 1 + . 2]"
2 9 . 8.116 0.952 10 5 "[** . + * -]"
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 48 TRP H 2 1 ALA MB 0.000 . 3.030 2.757 2.475 2.908 . 0 0 "[ . 1 . 2]" 2
2 1 18 GLY H 2 8 ARG QG 0.000 . 4.200 4.456 4.360 4.538 0.338 1 0 "[ . 1 . 2]" 2
3 1 19 GLY H 2 6 THR MG 0.000 . 4.240 4.115 3.918 4.269 0.029 20 0 "[ . 1 . 2]" 2
4 1 17 ASP HA 2 8 ARG HA 0.000 . 3.220 2.758 2.446 3.529 0.309 17 0 "[ . 1 . 2]" 2
5 1 47 GLU HA 2 1 ALA MB 0.000 . 4.200 4.001 3.710 4.220 0.020 16 0 "[ . 1 . 2]" 2
6 1 10 GLU HA 2 4 LYS HB3 0.000 . 5.280 4.819 4.502 5.292 0.012 14 0 "[ . 1 . 2]" 2
7 1 10 GLU HA 2 4 LYS HB2 0.000 . 5.280 5.188 4.192 5.537 0.257 18 0 "[ . 1 . 2]" 2
8 1 48 TRP HD1 2 1 ALA MB 0.000 . 3.950 3.979 3.884 4.048 0.098 17 0 "[ . 1 . 2]" 2
9 1 22 LEU QD 2 1 ALA MB 0.000 . 2.450 1.925 1.788 2.125 . 0 0 "[ . 1 . 2]" 2
10 1 21 LEU QD 2 4 LYS HB2 0.000 . 6.010 2.864 1.673 3.827 . 0 0 "[ . 1 . 2]" 2
11 1 21 LEU QD 2 4 LYS QG 0.000 . 5.500 3.302 2.220 4.002 . 0 0 "[ . 1 . 2]" 2
12 1 21 LEU QD 2 4 LYS HE2 0.000 . 5.380 2.676 2.421 3.015 . 0 0 "[ . 1 . 2]" 2
13 1 21 LEU QD 2 4 LYS HE3 0.000 . 5.380 2.534 1.939 3.076 . 0 0 "[ . 1 . 2]" 2
14 1 21 LEU QD 2 4 LYS HB3 0.000 . 6.010 2.752 2.072 3.647 . 0 0 "[ . 1 . 2]" 2
15 1 21 LEU QD 2 5 GLN QG 0.000 . 4.650 4.572 4.066 4.843 0.193 9 0 "[ . 1 . 2]" 2
16 1 43 ILE MD 2 3 THR HB 0.000 . 4.220 3.827 3.673 3.961 . 0 0 "[ . 1 . 2]" 2
17 1 43 ILE HB 2 3 THR MG 0.000 . 3.480 3.601 3.530 3.651 0.171 16 0 "[ . 1 . 2]" 2
18 1 11 PHE QD 2 6 THR MG 0.000 . 4.420 4.200 4.001 4.368 . 0 0 "[ . 1 . 2]" 2
19 1 11 PHE H 2 6 THR MG 0.000 . 3.690 3.873 3.717 3.951 0.261 9 0 "[ . 1 . 2]" 2
20 1 46 GLY H 2 1 ALA MB 0.000 . 4.200 3.523 2.659 4.196 . 0 0 "[ . 1 . 2]" 2
21 1 43 ILE H 2 3 THR MG 0.000 . 3.960 4.323 4.218 4.398 0.438 19 0 "[ . 1 . 2]" 2
22 1 20 GLU H 2 8 ARG QD 0.000 . 3.780 3.845 3.686 3.918 0.138 9 0 "[ . 1 . 2]" 2
23 1 48 TRP HE1 2 1 ALA MB 0.000 . 5.500 5.473 5.355 5.590 0.090 17 0 "[ . 1 . 2]" 2
24 1 25 ASP H 2 1 ALA MB 0.000 . 5.170 5.174 4.978 5.258 0.088 15 0 "[ . 1 . 2]" 2
25 1 18 GLY H 2 6 THR MG 0.000 . 3.980 3.985 3.775 4.143 0.163 9 0 "[ . 1 . 2]" 2
26 1 22 LEU H 2 3 THR MG 0.000 . 3.500 3.305 3.122 3.473 . 0 0 "[ . 1 . 2]" 2
27 1 20 GLU H 2 5 GLN QG 0.000 . 3.770 3.576 2.538 3.944 0.174 11 0 "[ . 1 . 2]" 2
28 1 20 GLU H 2 8 ARG QG 0.000 . 4.610 4.655 4.498 4.813 0.203 17 0 "[ . 1 . 2]" 2
29 1 20 GLU H 2 3 THR MG 0.000 . 4.870 5.112 4.904 5.213 0.343 8 0 "[ . 1 . 2]" 2
30 1 20 GLU H 2 5 GLN HA 0.000 . 4.260 4.100 3.482 4.346 0.086 16 0 "[ . 1 . 2]" 2
31 1 23 CYS H 2 3 THR HA 0.000 . 3.570 2.572 2.328 2.830 . 0 0 "[ . 1 . 2]" 2
32 1 18 GLY H 2 7 ALA MB 0.000 . 3.970 4.048 3.974 4.169 0.199 10 0 "[ . 1 . 2]" 2
33 1 22 LEU H 2 3 THR HA 0.000 . 4.290 4.457 4.371 4.552 0.262 4 0 "[ . 1 . 2]" 2
34 1 18 GLY H 2 8 ARG QD 0.000 . 3.900 4.100 3.148 4.282 0.382 14 0 "[ . 1 . 2]" 2
35 1 21 LEU H 2 6 THR MG 0.000 . 5.500 4.645 4.315 4.948 . 0 0 "[ . 1 . 2]" 2
36 1 19 GLY H 2 8 ARG QD 0.000 . 4.270 3.814 2.468 4.128 . 0 0 "[ . 1 . 2]" 2
37 1 18 GLY H 2 8 ARG HA 0.000 . 2.730 1.313 1.151 1.998 . 0 0 "[ . 1 . 2]" 2
38 1 20 GLU H 2 5 GLN QE 0.000 . 3.970 3.185 2.293 3.809 . 0 0 "[ . 1 . 2]" 2
39 1 47 GLU H 2 1 ALA MB 0.000 . 4.670 4.852 4.753 4.944 0.274 18 0 "[ . 1 . 2]" 2
40 1 10 GLU H 2 6 THR MG 0.000 . 5.500 4.508 3.778 4.683 . 0 0 "[ . 1 . 2]" 2
41 1 48 TRP H 2 1 ALA HA 0.000 . 3.600 2.690 1.752 3.495 . 0 0 "[ . 1 . 2]" 2
42 1 17 ASP H 2 9 . HE2 0.000 . 5.500 5.073 3.183 5.658 0.158 7 0 "[ . 1 . 2]" 2
43 1 17 ASP H 2 9 . HE3 0.000 . 5.500 4.677 3.856 6.452 0.952 10 5 "[** . + * -]" 2
44 1 23 CYS H 2 3 THR MG 0.000 . 2.790 3.081 2.955 3.244 0.454 10 0 "[ . 1 . 2]" 2
45 1 43 ILE MD 2 3 THR MG 0.000 . 3.280 1.674 1.531 1.816 . 0 0 "[ . 1 . 2]" 2
46 1 48 TRP HA 2 1 ALA MB 0.000 . 3.610 3.748 3.669 3.802 0.192 7 0 "[ . 1 . 2]" 2
47 1 22 LEU HA 2 3 THR MG 0.000 . 3.850 1.813 1.694 2.055 . 0 0 "[ . 1 . 2]" 2
48 1 10 GLU HA 2 6 THR MG 0.000 . 3.000 2.297 1.838 2.590 . 0 0 "[ . 1 . 2]" 2
49 1 43 ILE MG 2 3 THR HB 0.000 . 3.660 3.692 3.584 3.769 0.109 11 0 "[ . 1 . 2]" 2
50 1 17 ASP HA 2 9 . HE3 0.000 . 4.680 3.348 1.821 5.050 0.370 2 0 "[ . 1 . 2]" 2
51 1 17 ASP HA 2 9 . HE2 0.000 . 4.680 3.786 2.266 4.356 . 0 0 "[ . 1 . 2]" 2
52 1 17 ASP HA 2 9 . HA 0.000 . 5.030 4.991 4.478 5.156 0.126 11 0 "[ . 1 . 2]" 2
53 1 22 LEU QD 2 3 THR MG 0.000 . 2.800 2.120 2.018 2.212 . 0 0 "[ . 1 . 2]" 2
54 1 43 ILE HA 2 1 ALA MB 0.000 . 4.350 4.291 4.033 4.484 0.134 7 0 "[ . 1 . 2]" 2
55 1 21 LEU HA 2 3 THR MG 0.000 . 3.510 3.563 3.457 3.688 0.178 13 0 "[ . 1 . 2]" 2
56 1 43 ILE MG 2 1 ALA MB 0.000 . 2.770 2.531 2.317 2.742 . 0 0 "[ . 1 . 2]" 2
57 1 44 PRO HA 2 1 ALA MB 0.000 . 3.710 3.992 3.875 4.089 0.379 20 0 "[ . 1 . 2]" 2
58 1 44 PRO HD2 2 1 ALA MB 0.000 . 4.400 2.154 2.003 2.329 . 0 0 "[ . 1 . 2]" 2
59 1 22 LEU HG 2 1 ALA MB 0.000 . 3.820 3.402 3.192 3.664 . 0 0 "[ . 1 . 2]" 2
60 1 44 PRO HD3 2 1 ALA MB 0.000 . 4.400 3.633 3.479 3.806 . 0 0 "[ . 1 . 2]" 2
61 1 19 GLY HA2 2 8 ARG QG 0.000 . 4.450 3.093 2.832 3.602 . 0 0 "[ . 1 . 2]" 2
62 1 19 GLY HA3 2 8 ARG QG 0.000 . 4.450 3.379 3.090 3.581 . 0 0 "[ . 1 . 2]" 2
63 1 20 GLU HA 2 5 GLN QG 0.000 . 5.500 2.109 1.788 2.996 . 0 0 "[ . 1 . 2]" 2
64 1 48 TRP HE3 2 1 ALA MB 0.000 . 3.670 3.789 3.683 3.881 0.211 17 0 "[ . 1 . 2]" 2
65 1 10 GLU HA 2 4 LYS QB 0.000 . 4.490 4.407 3.889 4.594 0.104 6 0 "[ . 1 . 2]" 2
66 1 10 GLU QB 2 6 THR MG 0.000 . 3.150 2.440 2.117 2.824 . 0 0 "[ . 1 . 2]" 2
67 1 10 GLU QG 2 6 THR MG 0.000 . 3.830 3.751 3.482 3.927 0.097 2 0 "[ . 1 . 2]" 2
68 1 18 GLY H 2 8 ARG QB 0.000 . 4.290 2.896 2.673 4.046 . 0 0 "[ . 1 . 2]" 2
69 1 19 GLY H 2 8 ARG QB 0.000 . 3.870 2.476 2.136 3.351 . 0 0 "[ . 1 . 2]" 2
70 1 19 GLY QA 2 8 ARG QB 0.000 . 3.800 1.898 1.541 2.327 . 0 0 "[ . 1 . 2]" 2
71 1 19 GLY QA 2 8 ARG QG 0.000 . 3.800 2.842 2.716 3.113 . 0 0 "[ . 1 . 2]" 2
72 1 19 GLY QA 2 8 ARG QD 0.000 . 4.000 1.533 1.193 1.960 . 0 0 "[ . 1 . 2]" 2
73 1 20 GLU H 2 8 ARG QB 0.000 . 3.870 4.242 3.964 4.703 0.833 13 1 "[ . 1 + . 2]" 2
74 1 20 GLU QB 2 3 THR MG 0.000 . 3.320 3.077 1.922 3.376 0.056 20 0 "[ . 1 . 2]" 2
75 1 20 GLU QB 2 5 GLN HA 0.000 . 4.330 4.291 3.465 4.473 0.143 16 0 "[ . 1 . 2]" 2
76 1 20 GLU QB 2 5 GLN QE 0.000 . 4.760 1.882 1.423 2.855 . 0 0 "[ . 1 . 2]" 2
77 1 20 GLU QG 2 3 THR MG 0.000 . 3.310 2.082 1.701 3.715 0.405 13 0 "[ . 1 . 2]" 2
78 1 20 GLU QG 2 5 GLN HA 0.000 . 4.200 4.299 4.196 4.507 0.307 5 0 "[ . 1 . 2]" 2
79 1 20 GLU QG 2 5 GLN QE 0.000 . 4.680 2.509 1.681 3.017 . 0 0 "[ . 1 . 2]" 2
80 1 21 LEU QB 2 4 LYS QE 0.000 . 4.900 3.491 2.964 4.123 . 0 0 "[ . 1 . 2]" 2
81 1 21 LEU QD 2 4 LYS HA 0.000 . 5.440 4.661 4.224 5.034 . 0 0 "[ . 1 . 2]" 2
82 1 21 LEU QD 2 4 LYS QB 0.000 . 3.750 2.214 1.654 2.491 . 0 0 "[ . 1 . 2]" 2
83 1 21 LEU QD 2 4 LYS QD 0.000 . 3.830 3.614 2.521 4.012 0.182 12 0 "[ . 1 . 2]" 2
84 1 21 LEU QD 2 4 LYS QE 0.000 . 3.390 2.275 1.906 2.597 . 0 0 "[ . 1 . 2]" 2
85 1 21 LEU QD 2 5 GLN HA 0.000 . 5.280 3.737 3.289 4.051 . 0 0 "[ . 1 . 2]" 2
86 1 21 LEU QD 2 6 THR HB 0.000 . 3.840 3.973 3.887 4.046 0.206 13 0 "[ . 1 . 2]" 2
87 1 21 LEU QD 2 6 THR MG 0.000 . 2.680 2.101 1.982 2.260 . 0 0 "[ . 1 . 2]" 2
88 1 22 LEU QD 2 3 THR HA 0.000 . 4.150 3.459 3.270 3.668 . 0 0 "[ . 1 . 2]" 2
89 1 22 LEU QD 2 3 THR HB 0.000 . 4.380 4.514 4.454 4.615 0.235 13 0 "[ . 1 . 2]" 2
90 1 23 CYS H 2 2 ARG QB 0.000 . 2.890 2.994 2.695 3.096 0.206 1 0 "[ . 1 . 2]" 2
91 1 23 CYS H 2 2 ARG QD 0.000 . 4.410 4.432 3.409 4.655 0.245 10 0 "[ . 1 . 2]" 2
92 1 24 CYS H 2 2 ARG QB 0.000 . 5.340 5.224 4.674 5.414 0.074 16 0 "[ . 1 . 2]" 2
93 1 44 PRO QB 2 1 ALA MB 0.000 . 2.410 2.111 1.900 2.327 . 0 0 "[ . 1 . 2]" 2
94 1 44 PRO QD 2 1 ALA MB 0.000 . 3.730 2.138 1.991 2.309 . 0 0 "[ . 1 . 2]" 2
95 1 46 GLY QA 2 1 ALA MB 0.000 . 4.420 4.209 3.994 4.441 0.021 6 0 "[ . 1 . 2]" 2
96 1 48 TRP QB 2 1 ALA MB 0.000 . 2.950 1.758 1.624 1.852 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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