NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508090 |
2eog   |
10217 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eog
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 12
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 0.219
_Distance_constraint_stats_list.Viol_max 0.004
_Distance_constraint_stats_list.Viol_rms 0.0003
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0014
_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 13 CYS 0.001 0.001 19 0 "[ . 1 . 2]"
1 16 CYS 0.005 0.004 20 0 "[ . 1 . 2]"
1 29 HIS 0.006 0.004 20 0 "[ . 1 . 2]"
1 33 HIS 0.004 0.004 20 0 "[ . 1 . 2]"
2 1 ZN 0.006 0.004 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 CYS SG 2 1 ZN ZN . 2.190 2.390 2.295 2.190 2.391 0.001 19 0 "[ . 1 . 2]" 1
2 1 13 CYS CB 2 1 ZN ZN . 3.250 3.510 3.379 3.250 3.509 . 0 0 "[ . 1 . 2]" 1
3 1 16 CYS SG 2 1 ZN ZN . 2.190 2.390 2.272 2.190 2.385 0.000 2 0 "[ . 1 . 2]" 1
4 1 16 CYS CB 2 1 ZN ZN . 3.250 3.510 3.404 3.246 3.509 0.004 20 0 "[ . 1 . 2]" 1
5 1 29 HIS NE2 2 1 ZN ZN . . 2.100 2.016 1.901 2.101 0.001 19 0 "[ . 1 . 2]" 1
6 1 33 HIS NE2 2 1 ZN ZN . . 2.100 2.033 1.910 2.100 0.000 3 0 "[ . 1 . 2]" 1
7 1 13 CYS SG 1 16 CYS SG . 3.560 3.960 3.788 3.578 3.956 . 0 0 "[ . 1 . 2]" 1
8 1 13 CYS SG 1 29 HIS NE2 . 3.320 3.720 3.555 3.320 3.719 0.000 18 0 "[ . 1 . 2]" 1
9 1 13 CYS SG 1 33 HIS NE2 . 3.320 3.720 3.540 3.329 3.718 . 0 0 "[ . 1 . 2]" 1
10 1 16 CYS SG 1 29 HIS NE2 . 3.320 3.720 3.439 3.319 3.661 0.001 17 0 "[ . 1 . 2]" 1
11 1 16 CYS SG 1 33 HIS NE2 . 3.320 3.720 3.611 3.410 3.715 . 0 0 "[ . 1 . 2]" 1
12 1 29 HIS NE2 1 33 HIS NE2 . 3.000 3.600 3.118 2.996 3.365 0.004 20 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 437
_Distance_constraint_stats_list.Viol_count 30
_Distance_constraint_stats_list.Viol_total 4.630
_Distance_constraint_stats_list.Viol_max 0.038
_Distance_constraint_stats_list.Viol_rms 0.0008
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0077
_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 8 VAL 0.003 0.003 17 0 "[ . 1 . 2]"
1 9 LYS 0.003 0.003 17 0 "[ . 1 . 2]"
1 10 PRO 0.023 0.023 20 0 "[ . 1 . 2]"
1 11 TYR 0.030 0.023 20 0 "[ . 1 . 2]"
1 12 GLY 0.001 0.001 12 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.004 0.004 20 0 "[ . 1 . 2]"
1 16 CYS 0.004 0.004 17 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 17 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 2 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PHE 0.000 0.000 17 0 "[ . 1 . 2]"
1 21 ARG 0.004 0.004 9 0 "[ . 1 . 2]"
1 22 SER 0.009 0.005 19 0 "[ . 1 . 2]"
1 23 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 18 0 "[ . 1 . 2]"
1 25 TYR 0.005 0.005 19 0 "[ . 1 . 2]"
1 26 LEU 0.065 0.031 19 0 "[ . 1 . 2]"
1 27 ILE 0.046 0.031 19 0 "[ . 1 . 2]"
1 28 ILE 0.019 0.016 19 0 "[ . 1 . 2]"
1 29 HIS 0.003 0.003 20 0 "[ . 1 . 2]"
1 30 MET 0.031 0.025 20 0 "[ . 1 . 2]"
1 31 ARG 0.079 0.038 17 0 "[ . 1 . 2]"
1 32 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 HIS 0.004 0.004 17 0 "[ . 1 . 2]"
1 34 THR 0.001 0.001 20 0 "[ . 1 . 2]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.011 0.011 14 0 "[ . 1 . 2]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PRO 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 36 GLU HA 1 37 LYS H . . 3.290 2.458 2.163 2.854 . 0 0 "[ . 1 . 2]" 2
2 1 37 LYS H 1 37 LYS QD . . 4.680 4.130 2.899 4.691 0.011 14 0 "[ . 1 . 2]" 2
3 1 37 LYS H 1 37 LYS QG . . 4.600 3.202 2.013 4.369 . 0 0 "[ . 1 . 2]" 2
4 1 13 CYS HB3 1 15 GLU H . . 4.780 4.372 3.770 4.779 . 0 0 "[ . 1 . 2]" 2
5 1 15 GLU H 1 15 GLU QG . . 3.610 3.014 2.083 3.569 . 0 0 "[ . 1 . 2]" 2
6 1 15 GLU H 1 15 GLU HB2 . . 3.670 2.492 2.281 2.585 . 0 0 "[ . 1 . 2]" 2
7 1 15 GLU H 1 15 GLU HB3 . . 3.670 3.612 3.548 3.653 . 0 0 "[ . 1 . 2]" 2
8 1 13 CYS HB3 1 18 LYS H . . 3.670 2.161 1.903 2.409 . 0 0 "[ . 1 . 2]" 2
9 1 18 LYS H 1 18 LYS HB2 . . 3.930 2.595 2.385 2.922 . 0 0 "[ . 1 . 2]" 2
10 1 18 LYS H 1 18 LYS HB3 . . 3.930 3.735 3.598 3.930 0.000 2 0 "[ . 1 . 2]" 2
11 1 13 CYS HB2 1 18 LYS H . . 4.240 3.816 3.549 4.135 . 0 0 "[ . 1 . 2]" 2
12 1 18 LYS H 1 18 LYS HG2 . . 4.260 3.957 2.980 4.235 . 0 0 "[ . 1 . 2]" 2
13 1 18 LYS H 1 19 ALA H . . 4.560 4.438 4.376 4.529 . 0 0 "[ . 1 . 2]" 2
14 1 18 LYS HA 1 19 ALA H . . 2.810 2.490 2.211 2.614 . 0 0 "[ . 1 . 2]" 2
15 1 18 LYS HB2 1 19 ALA H . . 4.080 3.595 3.309 4.061 . 0 0 "[ . 1 . 2]" 2
16 1 19 ALA H 1 19 ALA MB . . 3.160 2.528 2.270 2.648 . 0 0 "[ . 1 . 2]" 2
17 1 18 LYS QD 1 19 ALA H . . 5.450 4.012 2.639 4.638 . 0 0 "[ . 1 . 2]" 2
18 1 26 LEU H 1 27 ILE MD . . 5.230 4.559 3.448 5.230 . 0 0 "[ . 1 . 2]" 2
19 1 20 PHE HB3 1 26 LEU H . . 4.240 3.233 2.594 3.750 . 0 0 "[ . 1 . 2]" 2
20 1 23 LYS HA 1 26 LEU H . . 3.900 3.535 3.170 3.863 . 0 0 "[ . 1 . 2]" 2
21 1 25 TYR HB3 1 26 LEU H . . 4.220 3.097 2.272 3.557 . 0 0 "[ . 1 . 2]" 2
22 1 20 PHE HB2 1 26 LEU H . . 4.240 3.280 2.685 3.967 . 0 0 "[ . 1 . 2]" 2
23 1 26 LEU H 1 26 LEU HB3 . . 3.400 2.385 2.240 2.526 . 0 0 "[ . 1 . 2]" 2
24 1 26 LEU H 1 26 LEU HB2 . . 3.400 2.639 2.482 2.859 . 0 0 "[ . 1 . 2]" 2
25 1 26 LEU H 1 26 LEU MD1 . . 4.520 4.160 4.053 4.274 . 0 0 "[ . 1 . 2]" 2
26 1 26 LEU H 1 26 LEU MD2 . . 4.870 4.178 4.068 4.219 . 0 0 "[ . 1 . 2]" 2
27 1 13 CYS HB3 1 17 GLY H . . 3.790 3.036 2.854 3.275 . 0 0 "[ . 1 . 2]" 2
28 1 15 GLU H 1 17 GLY H . . 4.320 3.846 3.125 4.320 0.000 17 0 "[ . 1 . 2]" 2
29 1 33 HIS HB3 1 34 THR H . . 4.870 3.263 2.881 4.397 . 0 0 "[ . 1 . 2]" 2
30 1 33 HIS H 1 34 THR H . . 3.900 2.883 2.462 3.901 0.001 20 0 "[ . 1 . 2]" 2
31 1 33 HIS HB2 1 34 THR H . . 4.870 2.696 2.206 4.545 . 0 0 "[ . 1 . 2]" 2
32 1 34 THR H 1 34 THR MG . . 4.320 2.318 1.906 3.068 . 0 0 "[ . 1 . 2]" 2
33 1 26 LEU H 1 27 ILE H . . 3.280 2.859 2.511 3.027 . 0 0 "[ . 1 . 2]" 2
34 1 24 SER HA 1 27 ILE H . . 4.190 3.539 3.160 3.858 . 0 0 "[ . 1 . 2]" 2
35 1 26 LEU HB2 1 27 ILE H . . 4.140 3.799 3.735 3.947 . 0 0 "[ . 1 . 2]" 2
36 1 27 ILE H 1 27 ILE HG13 . . 3.870 2.191 1.902 3.077 . 0 0 "[ . 1 . 2]" 2
37 1 26 LEU MD1 1 27 ILE H . . 4.730 4.227 4.091 4.462 . 0 0 "[ . 1 . 2]" 2
38 1 26 LEU MD2 1 27 ILE H . . 4.930 3.826 3.469 4.197 . 0 0 "[ . 1 . 2]" 2
39 1 11 TYR H 1 12 GLY H . . 4.750 4.012 2.380 4.513 . 0 0 "[ . 1 . 2]" 2
40 1 11 TYR QD 1 12 GLY H . . 4.880 4.547 3.928 4.879 . 0 0 "[ . 1 . 2]" 2
41 1 11 TYR HA 1 12 GLY H . . 3.200 2.294 2.143 3.020 . 0 0 "[ . 1 . 2]" 2
42 1 11 TYR HB3 1 12 GLY H . . 4.460 3.601 2.606 4.461 0.001 12 0 "[ . 1 . 2]" 2
43 1 11 TYR HB2 1 12 GLY H . . 4.560 4.118 3.629 4.456 . 0 0 "[ . 1 . 2]" 2
44 1 12 GLY H 1 19 ALA MB . . 5.500 5.214 4.920 5.494 . 0 0 "[ . 1 . 2]" 2
45 1 12 GLY H 1 26 LEU MD1 . . 5.500 4.301 3.028 5.126 . 0 0 "[ . 1 . 2]" 2
46 1 12 GLY H 1 26 LEU MD2 . . 5.500 3.956 3.024 5.307 . 0 0 "[ . 1 . 2]" 2
47 1 23 LYS HA 1 27 ILE H . . 4.870 4.586 4.359 4.847 . 0 0 "[ . 1 . 2]" 2
48 1 26 LEU HB3 1 27 ILE H . . 4.140 2.369 2.267 2.580 . 0 0 "[ . 1 . 2]" 2
49 1 27 ILE H 1 27 ILE HB . . 3.060 2.605 2.462 2.664 . 0 0 "[ . 1 . 2]" 2
50 1 26 LEU HG 1 27 ILE H . . 3.700 3.193 2.941 3.680 . 0 0 "[ . 1 . 2]" 2
51 1 27 ILE H 1 27 ILE MD . . 3.970 2.893 1.821 3.360 . 0 0 "[ . 1 . 2]" 2
52 1 28 ILE H 1 29 HIS H . . 3.340 2.811 2.624 2.953 . 0 0 "[ . 1 . 2]" 2
53 1 29 HIS H 1 29 HIS HB3 . . 3.080 2.295 2.199 2.399 . 0 0 "[ . 1 . 2]" 2
54 1 29 HIS H 1 29 HIS HB2 . . 3.250 3.053 2.825 3.213 . 0 0 "[ . 1 . 2]" 2
55 1 28 ILE HB 1 29 HIS H . . 3.360 2.949 2.655 3.210 . 0 0 "[ . 1 . 2]" 2
56 1 26 LEU MD1 1 29 HIS H . . 4.820 4.389 4.102 4.788 . 0 0 "[ . 1 . 2]" 2
57 1 28 ILE MG 1 29 HIS H . . 3.900 3.688 3.483 3.895 . 0 0 "[ . 1 . 2]" 2
58 1 30 MET H 1 31 ARG H . . 3.400 2.673 2.235 2.967 . 0 0 "[ . 1 . 2]" 2
59 1 29 HIS HB3 1 30 MET H . . 3.560 2.819 2.498 3.181 . 0 0 "[ . 1 . 2]" 2
60 1 30 MET H 1 30 MET HG2 . . 3.780 2.759 2.000 3.548 . 0 0 "[ . 1 . 2]" 2
61 1 29 HIS H 1 30 MET H . . 3.530 2.305 2.053 2.628 . 0 0 "[ . 1 . 2]" 2
62 1 29 HIS HD2 1 30 MET H . . 4.450 3.530 2.933 4.225 . 0 0 "[ . 1 . 2]" 2
63 1 27 ILE HA 1 30 MET H . . 4.060 3.122 2.882 3.346 . 0 0 "[ . 1 . 2]" 2
64 1 26 LEU HA 1 30 MET H . . 4.480 4.225 4.067 4.480 . 4 0 "[ . 1 . 2]" 2
65 1 30 MET H 1 30 MET HG3 . . 3.780 3.252 2.351 3.781 0.001 4 0 "[ . 1 . 2]" 2
66 1 29 HIS HB2 1 30 MET H . . 4.320 4.081 3.881 4.302 . 0 0 "[ . 1 . 2]" 2
67 1 27 ILE HB 1 30 MET H . . 5.500 5.295 5.062 5.497 . 0 0 "[ . 1 . 2]" 2
68 1 26 LEU MD1 1 30 MET H . . 4.340 3.790 3.162 4.342 0.002 19 0 "[ . 1 . 2]" 2
69 1 24 SER H 1 25 TYR H . . 4.620 2.991 2.804 3.137 . 0 0 "[ . 1 . 2]" 2
70 1 22 SER HB3 1 25 TYR H . . 4.620 3.225 2.448 4.613 . 0 0 "[ . 1 . 2]" 2
71 1 25 TYR H 1 25 TYR HB3 . . 3.730 3.421 2.808 3.596 . 0 0 "[ . 1 . 2]" 2
72 1 25 TYR HA 1 28 ILE H . . 4.070 3.864 3.571 4.056 . 0 0 "[ . 1 . 2]" 2
73 1 27 ILE MG 1 28 ILE H . . 3.580 3.137 2.733 3.572 . 0 0 "[ . 1 . 2]" 2
74 1 24 SER QB 1 25 TYR H . . 3.690 2.669 2.062 3.524 . 0 0 "[ . 1 . 2]" 2
75 1 27 ILE H 1 28 ILE H . . 3.570 2.997 2.723 3.112 . 0 0 "[ . 1 . 2]" 2
76 1 28 ILE H 1 29 HIS HB3 . . 5.010 4.865 4.704 5.013 0.003 20 0 "[ . 1 . 2]" 2
77 1 27 ILE HB 1 28 ILE H . . 3.480 2.308 2.100 2.721 . 0 0 "[ . 1 . 2]" 2
78 1 28 ILE H 1 28 ILE HB . . 2.870 2.630 2.525 2.713 . 0 0 "[ . 1 . 2]" 2
79 1 28 ILE H 1 28 ILE HG13 . . 3.670 2.150 1.901 2.690 . 0 0 "[ . 1 . 2]" 2
80 1 28 ILE H 1 28 ILE MD . . 3.960 2.929 1.803 3.491 . 0 0 "[ . 1 . 2]" 2
81 1 8 VAL H 1 8 VAL HB . . 4.000 3.307 2.523 3.841 . 0 0 "[ . 1 . 2]" 2
82 1 8 VAL H 1 8 VAL MG1 . . 4.480 3.119 2.233 3.931 . 0 0 "[ . 1 . 2]" 2
83 1 8 VAL H 1 8 VAL MG2 . . 4.480 2.511 1.947 3.996 . 0 0 "[ . 1 . 2]" 2
84 1 32 THR H 1 33 HIS H . . 3.150 2.619 2.256 3.116 . 0 0 "[ . 1 . 2]" 2
85 1 33 HIS H 1 33 HIS HD2 . . 4.250 3.781 3.063 4.064 . 0 0 "[ . 1 . 2]" 2
86 1 30 MET HA 1 33 HIS H . . 3.880 3.168 2.762 3.582 . 0 0 "[ . 1 . 2]" 2
87 1 33 HIS H 1 33 HIS HB3 . . 3.660 3.551 3.490 3.606 . 0 0 "[ . 1 . 2]" 2
88 1 33 HIS H 1 33 HIS HB2 . . 3.660 2.314 2.183 2.530 . 0 0 "[ . 1 . 2]" 2
89 1 30 MET ME 1 33 HIS H . . 5.500 4.986 3.271 5.500 0.000 4 0 "[ . 1 . 2]" 2
90 1 32 THR MG 1 33 HIS H . . 4.420 3.025 1.859 4.039 . 0 0 "[ . 1 . 2]" 2
91 1 20 PHE HB3 1 22 SER H . . 3.830 3.086 2.549 3.361 . 0 0 "[ . 1 . 2]" 2
92 1 21 ARG QG 1 22 SER H . . 4.460 3.347 1.995 4.435 . 0 0 "[ . 1 . 2]" 2
93 1 32 THR H 1 32 THR HB . . 3.830 3.133 2.280 3.640 . 0 0 "[ . 1 . 2]" 2
94 1 31 ARG HB3 1 32 THR H . . 4.350 3.799 3.248 4.165 . 0 0 "[ . 1 . 2]" 2
95 1 32 THR H 1 32 THR MG . . 3.320 2.191 1.876 2.604 . 0 0 "[ . 1 . 2]" 2
96 1 22 SER H 1 25 TYR HB2 . . 4.420 3.205 2.492 4.253 . 0 0 "[ . 1 . 2]" 2
97 1 20 PHE HB2 1 22 SER H . . 3.830 3.564 2.893 3.821 . 0 0 "[ . 1 . 2]" 2
98 1 21 ARG QB 1 22 SER H . . 3.960 3.152 2.560 3.964 0.004 9 0 "[ . 1 . 2]" 2
99 1 29 HIS HA 1 32 THR H . . 4.290 3.920 3.512 4.285 . 0 0 "[ . 1 . 2]" 2
100 1 11 TYR H 1 20 PHE H . . 4.230 3.981 3.602 4.227 . 0 0 "[ . 1 . 2]" 2
101 1 11 TYR H 1 11 TYR QD . . 3.590 2.863 2.371 3.104 . 0 0 "[ . 1 . 2]" 2
102 1 9 LYS HA 1 11 TYR H . . 4.520 3.703 3.056 4.118 . 0 0 "[ . 1 . 2]" 2
103 1 10 PRO HD3 1 11 TYR H . . 4.610 3.880 3.837 3.963 . 0 0 "[ . 1 . 2]" 2
104 1 10 PRO HD2 1 11 TYR H . . 3.890 2.721 2.648 2.875 . 0 0 "[ . 1 . 2]" 2
105 1 11 TYR H 1 11 TYR HB2 . . 3.330 2.760 2.631 2.886 . 0 0 "[ . 1 . 2]" 2
106 1 10 PRO HB2 1 11 TYR H . . 4.060 3.563 3.223 3.833 . 0 0 "[ . 1 . 2]" 2
107 1 10 PRO HB3 1 11 TYR H . . 4.430 4.273 4.076 4.430 0.000 12 0 "[ . 1 . 2]" 2
108 1 11 TYR H 1 11 TYR HB3 . . 4.060 3.787 3.651 3.878 . 0 0 "[ . 1 . 2]" 2
109 1 11 TYR H 1 20 PHE QD . . 5.500 5.274 4.585 5.499 . 0 0 "[ . 1 . 2]" 2
110 1 31 ARG H 1 31 ARG QD . . 4.320 3.952 3.679 4.295 . 0 0 "[ . 1 . 2]" 2
111 1 31 ARG H 1 31 ARG HG2 . . 3.660 2.708 1.987 3.383 . 0 0 "[ . 1 . 2]" 2
112 1 27 ILE MG 1 31 ARG H . . 4.950 3.801 3.255 4.585 . 0 0 "[ . 1 . 2]" 2
113 1 28 ILE MG 1 31 ARG H . . 5.500 5.081 4.702 5.496 . 0 0 "[ . 1 . 2]" 2
114 1 31 ARG H 1 32 THR H . . 3.430 2.858 2.309 3.212 . 0 0 "[ . 1 . 2]" 2
115 1 28 ILE HA 1 31 ARG H . . 4.340 4.054 3.644 4.322 . 0 0 "[ . 1 . 2]" 2
116 1 31 ARG H 1 31 ARG HG3 . . 3.660 2.972 1.960 3.661 0.001 5 0 "[ . 1 . 2]" 2
117 1 31 ARG H 1 32 THR MG . . 4.670 4.277 3.437 4.639 . 0 0 "[ . 1 . 2]" 2
118 1 23 LYS H 1 24 SER QB . . 5.500 4.607 4.081 5.010 . 0 0 "[ . 1 . 2]" 2
119 1 23 LYS H 1 23 LYS HB2 . . 4.000 2.786 2.168 3.602 . 0 0 "[ . 1 . 2]" 2
120 1 23 LYS H 1 23 LYS HB3 . . 4.000 2.621 2.368 3.489 . 0 0 "[ . 1 . 2]" 2
121 1 8 VAL HB 1 9 LYS H . . 4.870 3.970 2.419 4.649 . 0 0 "[ . 1 . 2]" 2
122 1 8 VAL MG1 1 9 LYS H . . 5.340 3.722 2.385 4.340 . 0 0 "[ . 1 . 2]" 2
123 1 8 VAL MG2 1 9 LYS H . . 5.340 3.595 2.133 4.332 . 0 0 "[ . 1 . 2]" 2
124 1 8 VAL HA 1 9 LYS H . . 3.440 2.626 2.139 3.443 0.003 17 0 "[ . 1 . 2]" 2
125 1 13 CYS H 1 20 PHE QE . . 4.600 2.535 1.969 3.065 . 0 0 "[ . 1 . 2]" 2
126 1 13 CYS H 1 19 ALA HA . . 3.800 3.197 2.826 3.381 . 0 0 "[ . 1 . 2]" 2
127 1 13 CYS H 1 13 CYS HB2 . . 3.310 2.581 2.357 2.837 . 0 0 "[ . 1 . 2]" 2
128 1 12 GLY H 1 13 CYS H . . 4.740 4.136 3.535 4.468 . 0 0 "[ . 1 . 2]" 2
129 1 13 CYS H 1 18 LYS H . . 4.550 3.225 2.691 3.812 . 0 0 "[ . 1 . 2]" 2
130 1 13 CYS H 1 20 PHE QD . . 4.890 3.455 2.788 4.048 . 0 0 "[ . 1 . 2]" 2
131 1 13 CYS H 1 13 CYS HB3 . . 3.200 2.514 2.264 2.802 . 0 0 "[ . 1 . 2]" 2
132 1 13 CYS H 1 26 LEU MD1 . . 4.070 3.112 2.619 3.733 . 0 0 "[ . 1 . 2]" 2
133 1 13 CYS H 1 20 PHE H . . 5.320 4.898 4.390 5.319 . 0 0 "[ . 1 . 2]" 2
134 1 20 PHE H 1 20 PHE QD . . 3.340 2.772 2.353 3.319 . 0 0 "[ . 1 . 2]" 2
135 1 19 ALA HA 1 20 PHE H . . 2.980 2.356 2.161 2.527 . 0 0 "[ . 1 . 2]" 2
136 1 11 TYR HB2 1 20 PHE H . . 3.660 3.174 2.823 3.658 . 0 0 "[ . 1 . 2]" 2
137 1 19 ALA MB 1 20 PHE H . . 3.480 2.576 2.292 3.105 . 0 0 "[ . 1 . 2]" 2
138 1 15 GLU QG 1 16 CYS H . . 4.600 4.205 3.968 4.407 . 0 0 "[ . 1 . 2]" 2
139 1 15 GLU H 1 16 CYS H . . 3.210 2.643 1.863 3.202 . 0 0 "[ . 1 . 2]" 2
140 1 15 GLU HB2 1 16 CYS H . . 3.710 2.523 2.237 2.874 . 0 0 "[ . 1 . 2]" 2
141 1 15 GLU HB3 1 16 CYS H . . 3.710 3.163 2.796 3.506 . 0 0 "[ . 1 . 2]" 2
142 1 13 CYS HB3 1 16 CYS H . . 4.150 3.822 3.609 4.087 . 0 0 "[ . 1 . 2]" 2
143 1 13 CYS H 1 29 HIS HD2 . . 5.430 5.183 4.514 5.429 . 0 0 "[ . 1 . 2]" 2
144 1 13 CYS HB2 1 15 GLU H . . 5.390 4.884 4.476 5.335 . 0 0 "[ . 1 . 2]" 2
145 1 16 CYS H 1 17 GLY H . . 3.030 2.126 2.001 2.250 . 0 0 "[ . 1 . 2]" 2
146 1 16 CYS H 1 18 LYS H . . 4.760 4.232 3.832 4.660 . 0 0 "[ . 1 . 2]" 2
147 1 18 LYS H 1 18 LYS HG3 . . 4.260 3.507 3.117 4.191 . 0 0 "[ . 1 . 2]" 2
148 1 18 LYS HB3 1 19 ALA H . . 4.080 2.256 1.997 2.984 . 0 0 "[ . 1 . 2]" 2
149 1 19 ALA H 1 20 PHE H . . 5.000 4.431 4.230 4.572 . 0 0 "[ . 1 . 2]" 2
150 1 22 SER H 1 25 TYR HB3 . . 4.420 4.106 3.120 4.425 0.005 19 0 "[ . 1 . 2]" 2
151 1 20 PHE HA 1 22 SER H . . 3.860 3.779 3.613 3.860 . 0 0 "[ . 1 . 2]" 2
152 1 11 TYR QD 1 22 SER H . . 4.510 3.909 2.530 4.440 . 0 0 "[ . 1 . 2]" 2
153 1 22 SER H 1 25 TYR QD . . 4.540 3.368 2.257 4.508 . 0 0 "[ . 1 . 2]" 2
154 1 20 PHE H 1 22 SER H . . 5.500 5.099 4.574 5.353 . 0 0 "[ . 1 . 2]" 2
155 1 22 SER H 1 23 LYS H . . 5.500 4.400 4.006 4.530 . 0 0 "[ . 1 . 2]" 2
156 1 11 TYR QE 1 23 LYS H . . 4.980 3.325 2.546 4.010 . 0 0 "[ . 1 . 2]" 2
157 1 25 TYR H 1 25 TYR HB2 . . 3.730 2.266 2.179 2.379 . 0 0 "[ . 1 . 2]" 2
158 1 25 TYR HB2 1 26 LEU H . . 4.220 2.915 2.590 3.730 . 0 0 "[ . 1 . 2]" 2
159 1 26 LEU H 1 27 ILE HB . . 5.130 4.960 4.655 5.130 0.000 16 0 "[ . 1 . 2]" 2
160 1 27 ILE H 1 27 ILE MG . . 3.850 3.767 3.751 3.772 . 0 0 "[ . 1 . 2]" 2
161 1 28 ILE H 1 30 MET H . . 5.030 4.288 3.843 4.674 . 0 0 "[ . 1 . 2]" 2
162 1 24 SER HA 1 28 ILE H . . 5.000 4.246 3.909 4.748 . 0 0 "[ . 1 . 2]" 2
163 1 26 LEU HA 1 29 HIS H . . 3.870 3.615 3.305 3.736 . 0 0 "[ . 1 . 2]" 2
164 1 30 MET H 1 32 THR H . . 5.280 4.435 3.729 5.072 . 0 0 "[ . 1 . 2]" 2
165 1 31 ARG HB2 1 32 THR H . . 4.350 3.496 2.159 4.041 . 0 0 "[ . 1 . 2]" 2
166 1 26 LEU MD1 1 30 MET HG2 . . 4.160 2.538 2.033 3.138 . 0 0 "[ . 1 . 2]" 2
167 1 13 CYS HB2 1 26 LEU MD1 . . 3.590 2.416 2.000 2.978 . 0 0 "[ . 1 . 2]" 2
168 1 18 LYS HA 1 19 ALA MB . . 4.470 3.819 3.739 3.885 . 0 0 "[ . 1 . 2]" 2
169 1 9 LYS HB3 1 19 ALA MB . . 3.850 3.086 2.324 3.649 . 0 0 "[ . 1 . 2]" 2
170 1 34 THR HA 1 34 THR MG . . 3.420 2.759 2.162 3.207 . 0 0 "[ . 1 . 2]" 2
171 1 33 HIS HB2 1 34 THR MG . . 5.110 3.510 2.894 4.738 . 0 0 "[ . 1 . 2]" 2
172 1 30 MET ME 1 34 THR MG . . 4.810 3.848 2.778 4.800 . 0 0 "[ . 1 . 2]" 2
173 1 40 GLY HA3 1 41 PRO QD . . 3.890 2.368 1.947 3.470 . 0 0 "[ . 1 . 2]" 2
174 1 29 HIS HA 1 31 ARG QD . . 5.160 4.745 3.867 5.155 . 0 0 "[ . 1 . 2]" 2
175 1 31 ARG HB3 1 31 ARG QD . . 3.340 2.666 2.276 3.378 0.038 17 0 "[ . 1 . 2]" 2
176 1 27 ILE MG 1 31 ARG QD . . 4.840 4.495 3.848 4.843 0.003 17 0 "[ . 1 . 2]" 2
177 1 28 ILE MG 1 31 ARG QD . . 5.010 3.106 2.209 3.896 . 0 0 "[ . 1 . 2]" 2
178 1 21 ARG QB 1 21 ARG QD . . 3.500 2.269 2.049 2.718 . 0 0 "[ . 1 . 2]" 2
179 1 21 ARG HA 1 21 ARG QD . . 4.610 3.491 2.211 4.527 . 0 0 "[ . 1 . 2]" 2
180 1 22 SER HB2 1 25 TYR H . . 4.620 3.968 2.696 4.572 . 0 0 "[ . 1 . 2]" 2
181 1 27 ILE HA 1 31 ARG H . . 4.990 3.984 3.341 4.810 . 0 0 "[ . 1 . 2]" 2
182 1 27 ILE HA 1 30 MET HG2 . . 4.900 3.870 2.386 4.823 . 0 0 "[ . 1 . 2]" 2
183 1 27 ILE HA 1 30 MET HB3 . . 4.440 3.938 3.655 4.314 . 0 0 "[ . 1 . 2]" 2
184 1 27 ILE HA 1 27 ILE HG12 . . 3.610 2.922 2.642 3.539 . 0 0 "[ . 1 . 2]" 2
185 1 27 ILE HA 1 27 ILE HG13 . . 3.610 2.660 2.229 2.884 . 0 0 "[ . 1 . 2]" 2
186 1 27 ILE HA 1 27 ILE MG . . 3.380 2.423 2.310 2.508 . 0 0 "[ . 1 . 2]" 2
187 1 28 ILE HA 1 31 ARG QD . . 4.030 2.969 2.192 3.715 . 0 0 "[ . 1 . 2]" 2
188 1 28 ILE HA 1 28 ILE HG13 . . 3.880 2.704 2.347 2.959 . 0 0 "[ . 1 . 2]" 2
189 1 28 ILE MG 1 29 HIS HA . . 4.130 3.614 3.433 3.888 . 0 0 "[ . 1 . 2]" 2
190 1 28 ILE HA 1 28 ILE MG . . 3.430 2.396 2.265 2.472 . 0 0 "[ . 1 . 2]" 2
191 1 24 SER HA 1 27 ILE MG . . 4.650 4.335 4.116 4.632 . 0 0 "[ . 1 . 2]" 2
192 1 11 TYR HB3 1 26 LEU HB3 . . 4.640 3.802 3.330 4.230 . 0 0 "[ . 1 . 2]" 2
193 1 32 THR HA 1 32 THR MG . . 3.250 2.745 2.293 3.204 . 0 0 "[ . 1 . 2]" 2
194 1 15 GLU H 1 30 MET ME . . 4.690 4.345 3.826 4.694 0.004 20 0 "[ . 1 . 2]" 2
195 1 30 MET ME 1 33 HIS HD2 . . 4.080 3.080 1.996 3.826 . 0 0 "[ . 1 . 2]" 2
196 1 30 MET ME 1 33 HIS HB2 . . 5.130 3.369 1.864 4.009 . 0 0 "[ . 1 . 2]" 2
197 1 15 GLU QG 1 30 MET ME . . 4.010 3.023 2.163 3.883 . 0 0 "[ . 1 . 2]" 2
198 1 26 LEU MD1 1 30 MET ME . . 4.100 3.312 1.962 4.095 . 0 0 "[ . 1 . 2]" 2
199 1 26 LEU MD2 1 30 MET ME . . 4.710 3.979 3.112 4.735 0.025 20 0 "[ . 1 . 2]" 2
200 1 10 PRO HA 1 11 TYR H . . 3.520 3.462 3.369 3.543 0.023 20 0 "[ . 1 . 2]" 2
201 1 11 TYR HB3 1 26 LEU HB2 . . 4.640 2.981 2.337 3.206 . 0 0 "[ . 1 . 2]" 2
202 1 11 TYR HB2 1 26 LEU HB2 . . 5.000 3.491 3.029 3.767 . 0 0 "[ . 1 . 2]" 2
203 1 11 TYR HB2 1 26 LEU MD1 . . 4.590 4.226 3.523 4.521 . 0 0 "[ . 1 . 2]" 2
204 1 24 SER QB 1 27 ILE MD . . 4.840 3.682 3.185 4.055 . 0 0 "[ . 1 . 2]" 2
205 1 24 SER HA 1 26 LEU H . . 5.280 4.349 3.869 4.671 . 0 0 "[ . 1 . 2]" 2
206 1 24 SER HA 1 27 ILE HB . . 3.730 3.059 2.730 3.535 . 0 0 "[ . 1 . 2]" 2
207 1 24 SER HA 1 27 ILE HG12 . . 4.770 4.491 4.027 4.770 0.000 18 0 "[ . 1 . 2]" 2
208 1 24 SER HA 1 27 ILE HG13 . . 4.770 3.785 3.036 4.769 . 0 0 "[ . 1 . 2]" 2
209 1 25 TYR QD 1 28 ILE MD . . 4.230 3.350 2.286 4.054 . 0 0 "[ . 1 . 2]" 2
210 1 25 TYR HA 1 28 ILE MD . . 3.770 2.139 1.882 2.504 . 0 0 "[ . 1 . 2]" 2
211 1 28 ILE HA 1 28 ILE MD . . 4.240 3.751 3.358 3.907 . 0 0 "[ . 1 . 2]" 2
212 1 24 SER HA 1 27 ILE MD . . 3.880 2.071 1.872 2.428 . 0 0 "[ . 1 . 2]" 2
213 1 27 ILE HA 1 27 ILE MD . . 4.080 3.739 3.257 3.896 . 0 0 "[ . 1 . 2]" 2
214 1 23 LYS QE 1 27 ILE MD . . 4.290 3.414 1.981 4.209 . 0 0 "[ . 1 . 2]" 2
215 1 27 ILE HB 1 27 ILE MD . . 3.630 2.197 2.100 2.372 . 0 0 "[ . 1 . 2]" 2
216 1 25 TYR HA 1 28 ILE HB . . 3.480 3.163 2.825 3.474 . 0 0 "[ . 1 . 2]" 2
217 1 25 TYR HA 1 28 ILE MG . . 4.750 4.357 4.078 4.723 . 0 0 "[ . 1 . 2]" 2
218 1 11 TYR HB3 1 23 LYS HA . . 4.710 3.717 2.916 4.445 . 0 0 "[ . 1 . 2]" 2
219 1 23 LYS HA 1 26 LEU HB3 . . 4.170 3.126 2.804 3.400 . 0 0 "[ . 1 . 2]" 2
220 1 23 LYS HA 1 26 LEU HB2 . . 4.170 3.742 3.256 4.039 . 0 0 "[ . 1 . 2]" 2
221 1 23 LYS HA 1 23 LYS HG2 . . 3.960 3.231 2.225 3.865 . 0 0 "[ . 1 . 2]" 2
222 1 23 LYS HA 1 23 LYS HG3 . . 3.960 3.016 2.322 3.941 . 0 0 "[ . 1 . 2]" 2
223 1 11 TYR HB2 1 23 LYS HA . . 4.990 4.055 3.147 4.782 . 0 0 "[ . 1 . 2]" 2
224 1 30 MET HA 1 30 MET ME . . 3.940 3.057 1.826 3.666 . 0 0 "[ . 1 . 2]" 2
225 1 29 HIS HD2 1 30 MET HA . . 4.270 3.436 2.904 3.864 . 0 0 "[ . 1 . 2]" 2
226 1 30 MET HA 1 32 THR H . . 4.790 3.982 3.617 4.503 . 0 0 "[ . 1 . 2]" 2
227 1 26 LEU HA 1 26 LEU HG . . 4.080 3.240 3.034 3.342 . 0 0 "[ . 1 . 2]" 2
228 1 18 LYS HB3 1 18 LYS QD . . 3.700 2.320 2.047 2.545 . 0 0 "[ . 1 . 2]" 2
229 1 18 LYS HA 1 18 LYS HG2 . . 4.050 2.375 2.210 2.729 . 0 0 "[ . 1 . 2]" 2
230 1 18 LYS HA 1 18 LYS HG3 . . 4.050 3.236 2.871 3.797 . 0 0 "[ . 1 . 2]" 2
231 1 20 PHE QD 1 26 LEU HA . . 3.950 3.057 2.628 3.494 . 0 0 "[ . 1 . 2]" 2
232 1 20 PHE QE 1 26 LEU HA . . 4.710 3.149 2.700 3.616 . 0 0 "[ . 1 . 2]" 2
233 1 26 LEU HA 1 29 HIS HB3 . . 3.530 2.844 2.456 3.114 . 0 0 "[ . 1 . 2]" 2
234 1 26 LEU HA 1 29 HIS HB2 . . 4.380 4.202 3.688 4.376 . 0 0 "[ . 1 . 2]" 2
235 1 26 LEU HA 1 26 LEU MD1 . . 3.300 2.173 1.994 2.385 . 0 0 "[ . 1 . 2]" 2
236 1 10 PRO HD2 1 21 ARG HA . . 4.200 3.448 2.353 4.126 . 0 0 "[ . 1 . 2]" 2
237 1 16 CYS HB3 1 33 HIS HE1 . . 4.200 2.414 2.016 2.920 . 0 0 "[ . 1 . 2]" 2
238 1 26 LEU HG 1 30 MET HG2 . . 4.560 2.941 2.064 3.799 . 0 0 "[ . 1 . 2]" 2
239 1 26 LEU MD1 1 30 MET HG3 . . 4.160 2.790 2.055 3.664 . 0 0 "[ . 1 . 2]" 2
240 1 10 PRO HB2 1 11 TYR QE . . 4.810 3.696 3.135 4.334 . 0 0 "[ . 1 . 2]" 2
241 1 27 ILE HA 1 30 MET HB2 . . 4.440 2.327 2.086 2.653 . 0 0 "[ . 1 . 2]" 2
242 1 13 CYS HB3 1 26 LEU MD1 . . 4.260 3.756 3.312 4.215 . 0 0 "[ . 1 . 2]" 2
243 1 13 CYS HB2 1 17 GLY H . . 4.950 4.621 4.374 4.852 . 0 0 "[ . 1 . 2]" 2
244 1 13 CYS HB2 1 29 HIS HD2 . . 3.650 2.802 2.243 3.205 . 0 0 "[ . 1 . 2]" 2
245 1 31 ARG H 1 31 ARG HB2 . . 4.000 3.365 2.549 3.638 . 0 0 "[ . 1 . 2]" 2
246 1 31 ARG H 1 31 ARG HB3 . . 4.000 2.726 2.289 3.615 . 0 0 "[ . 1 . 2]" 2
247 1 18 LYS QD 1 29 HIS HE1 . . 4.090 3.173 2.100 3.899 . 0 0 "[ . 1 . 2]" 2
248 1 18 LYS HA 1 18 LYS QD . . 4.770 3.769 2.434 4.107 . 0 0 "[ . 1 . 2]" 2
249 1 28 ILE H 1 28 ILE HG12 . . 3.670 3.486 3.243 3.686 0.016 19 0 "[ . 1 . 2]" 2
250 1 27 ILE H 1 27 ILE HG12 . . 3.870 3.527 3.342 3.881 0.011 19 0 "[ . 1 . 2]" 2
251 1 15 GLU QG 1 33 HIS HB3 . . 5.100 3.173 2.327 4.377 . 0 0 "[ . 1 . 2]" 2
252 1 26 LEU MD1 1 29 HIS HB3 . . 4.430 3.236 2.888 3.553 . 0 0 "[ . 1 . 2]" 2
253 1 26 LEU H 1 26 LEU HG . . 4.640 4.396 4.256 4.497 . 0 0 "[ . 1 . 2]" 2
254 1 26 LEU HG 1 30 MET HG3 . . 4.560 2.369 2.002 3.195 . 0 0 "[ . 1 . 2]" 2
255 1 37 LYS HA 1 38 PRO HD2 . . 3.630 2.227 2.000 2.520 . 0 0 "[ . 1 . 2]" 2
256 1 37 LYS HA 1 38 PRO HD3 . . 3.630 2.474 2.254 3.209 . 0 0 "[ . 1 . 2]" 2
257 1 20 PHE QD 1 26 LEU MD2 . . 4.670 3.753 3.412 4.284 . 0 0 "[ . 1 . 2]" 2
258 1 11 TYR HA 1 26 LEU MD2 . . 4.190 3.610 2.801 4.033 . 0 0 "[ . 1 . 2]" 2
259 1 23 LYS HA 1 26 LEU MD2 . . 4.580 3.570 3.082 3.851 . 0 0 "[ . 1 . 2]" 2
260 1 11 TYR HB3 1 26 LEU MD2 . . 3.550 2.280 1.974 2.579 . 0 0 "[ . 1 . 2]" 2
261 1 11 TYR HB2 1 26 LEU MD2 . . 3.970 3.660 3.312 3.949 . 0 0 "[ . 1 . 2]" 2
262 1 9 LYS HA 1 10 PRO HD3 . . 3.190 2.471 2.257 2.991 . 0 0 "[ . 1 . 2]" 2
263 1 9 LYS HA 1 10 PRO HD2 . . 3.250 2.206 1.953 2.383 . 0 0 "[ . 1 . 2]" 2
264 1 40 GLY HA2 1 41 PRO QD . . 3.890 2.714 2.013 3.470 . 0 0 "[ . 1 . 2]" 2
265 1 23 LYS HG2 1 27 ILE MD . . 4.830 3.215 1.836 4.790 . 0 0 "[ . 1 . 2]" 2
266 1 23 LYS HG3 1 27 ILE MD . . 4.830 3.513 1.900 4.614 . 0 0 "[ . 1 . 2]" 2
267 1 10 PRO HD2 1 11 TYR QE . . 4.860 4.430 3.617 4.856 . 0 0 "[ . 1 . 2]" 2
268 1 11 TYR QE 1 23 LYS QE . . 5.390 4.253 2.047 5.355 . 0 0 "[ . 1 . 2]" 2
269 1 10 PRO HB3 1 11 TYR QE . . 5.500 4.801 4.223 5.230 . 0 0 "[ . 1 . 2]" 2
270 1 21 ARG QB 1 25 TYR QE . . 5.500 5.050 3.355 5.496 . 0 0 "[ . 1 . 2]" 2
271 1 16 CYS HB2 1 33 HIS HE1 . . 4.200 3.991 3.558 4.204 0.004 17 0 "[ . 1 . 2]" 2
272 1 11 TYR HA 1 11 TYR QD . . 3.550 2.816 2.678 3.014 . 0 0 "[ . 1 . 2]" 2
273 1 11 TYR QD 1 21 ARG HA . . 4.600 3.898 3.151 4.549 . 0 0 "[ . 1 . 2]" 2
274 1 10 PRO HD2 1 11 TYR QD . . 4.100 3.432 2.936 3.739 . 0 0 "[ . 1 . 2]" 2
275 1 11 TYR QD 1 23 LYS HA . . 4.470 3.334 2.628 4.013 . 0 0 "[ . 1 . 2]" 2
276 1 10 PRO HB2 1 11 TYR QD . . 4.280 3.817 3.371 4.221 . 0 0 "[ . 1 . 2]" 2
277 1 11 TYR QD 1 26 LEU MD2 . . 3.930 3.034 2.408 3.509 . 0 0 "[ . 1 . 2]" 2
278 1 19 ALA HA 1 20 PHE QD . . 4.070 3.029 2.477 3.617 . 0 0 "[ . 1 . 2]" 2
279 1 20 PHE QD 1 26 LEU MD1 . . 3.470 2.467 2.071 2.887 . 0 0 "[ . 1 . 2]" 2
280 1 21 ARG QB 1 25 TYR QD . . 5.140 4.613 3.176 5.101 . 0 0 "[ . 1 . 2]" 2
281 1 25 TYR HA 1 25 TYR QD . . 3.930 2.500 1.996 3.052 . 0 0 "[ . 1 . 2]" 2
282 1 13 CYS HB3 1 20 PHE QE . . 4.370 3.018 2.468 3.346 . 0 0 "[ . 1 . 2]" 2
283 1 20 PHE QE 1 29 HIS HB3 . . 4.540 2.917 2.043 3.365 . 0 0 "[ . 1 . 2]" 2
284 1 13 CYS HB2 1 20 PHE QE . . 3.910 2.182 2.003 2.661 . 0 0 "[ . 1 . 2]" 2
285 1 20 PHE QE 1 29 HIS HB2 . . 4.530 2.605 2.124 3.011 . 0 0 "[ . 1 . 2]" 2
286 1 18 LYS QD 1 20 PHE QE . . 4.690 3.733 3.106 4.279 . 0 0 "[ . 1 . 2]" 2
287 1 18 LYS HB2 1 20 PHE QE . . 4.330 3.144 2.073 3.814 . 0 0 "[ . 1 . 2]" 2
288 1 18 LYS HB3 1 20 PHE QE . . 4.330 3.447 2.263 4.062 . 0 0 "[ . 1 . 2]" 2
289 1 20 PHE QE 1 26 LEU MD1 . . 3.980 2.107 1.847 2.740 . 0 0 "[ . 1 . 2]" 2
290 1 18 LYS HB2 1 20 PHE HZ . . 4.530 2.970 2.619 3.338 . 0 0 "[ . 1 . 2]" 2
291 1 20 PHE HZ 1 29 HIS HB2 . . 4.370 3.242 2.683 3.880 . 0 0 "[ . 1 . 2]" 2
292 1 18 LYS QD 1 20 PHE HZ . . 4.080 3.287 2.083 4.051 . 0 0 "[ . 1 . 2]" 2
293 1 18 LYS HB3 1 20 PHE HZ . . 4.530 3.280 2.481 4.031 . 0 0 "[ . 1 . 2]" 2
294 1 20 PHE QE 1 29 HIS HD2 . . 4.280 3.307 2.892 3.788 . 0 0 "[ . 1 . 2]" 2
295 1 13 CYS HB3 1 29 HIS HD2 . . 4.180 3.938 3.160 4.179 . 0 0 "[ . 1 . 2]" 2
296 1 29 HIS HD2 1 30 MET HG2 . . 4.810 2.980 2.234 3.463 . 0 0 "[ . 1 . 2]" 2
297 1 26 LEU MD1 1 29 HIS HD2 . . 3.750 2.685 2.167 3.205 . 0 0 "[ . 1 . 2]" 2
298 1 29 HIS HD2 1 33 HIS HD2 . . 4.630 3.246 2.767 3.723 . 0 0 "[ . 1 . 2]" 2
299 1 30 MET HA 1 33 HIS HD2 . . 3.480 2.505 2.229 2.914 . 0 0 "[ . 1 . 2]" 2
300 1 15 GLU HB3 1 33 HIS HD2 . . 4.820 4.246 3.721 4.812 . 0 0 "[ . 1 . 2]" 2
301 1 20 PHE QD 1 25 TYR HB2 . . 4.200 3.627 3.381 4.200 . 17 0 "[ . 1 . 2]" 2
302 1 28 ILE HA 1 28 ILE HG12 . . 3.880 2.898 2.552 3.537 . 0 0 "[ . 1 . 2]" 2
303 1 9 LYS HA 1 10 PRO HG3 . . 5.020 4.484 4.381 4.726 . 0 0 "[ . 1 . 2]" 2
304 1 9 LYS HA 1 10 PRO HG2 . . 5.020 4.343 4.132 4.499 . 0 0 "[ . 1 . 2]" 2
305 1 10 PRO HD3 1 11 TYR QD . . 4.920 4.812 4.557 4.918 . 0 0 "[ . 1 . 2]" 2
306 1 11 TYR HB3 1 26 LEU HA . . 5.500 5.263 4.646 5.507 0.007 20 0 "[ . 1 . 2]" 2
307 1 11 TYR HB2 1 26 LEU HB3 . . 5.000 4.641 3.968 4.988 . 0 0 "[ . 1 . 2]" 2
308 1 11 TYR QE 1 22 SER HA . . 3.800 2.875 2.271 3.336 . 0 0 "[ . 1 . 2]" 2
309 1 11 TYR QE 1 23 LYS HA . . 4.780 3.651 3.079 4.426 . 0 0 "[ . 1 . 2]" 2
310 1 10 PRO HD3 1 11 TYR QE . . 5.500 5.196 4.711 5.494 . 0 0 "[ . 1 . 2]" 2
311 1 13 CYS HA 1 26 LEU MD1 . . 4.880 2.905 2.127 3.551 . 0 0 "[ . 1 . 2]" 2
312 1 13 CYS HB2 1 16 CYS H . . 4.970 4.870 4.709 4.969 . 0 0 "[ . 1 . 2]" 2
313 1 18 LYS HB2 1 18 LYS QD . . 3.700 2.660 2.355 3.430 . 0 0 "[ . 1 . 2]" 2
314 1 9 LYS HB2 1 19 ALA MB . . 3.850 2.635 2.007 3.630 . 0 0 "[ . 1 . 2]" 2
315 1 13 CYS H 1 19 ALA MB . . 4.690 4.507 4.165 4.684 . 0 0 "[ . 1 . 2]" 2
316 1 20 PHE QD 1 25 TYR HB3 . . 4.200 2.214 1.994 2.758 . 0 0 "[ . 1 . 2]" 2
317 1 19 ALA MB 1 20 PHE QD . . 4.770 4.218 3.714 4.575 . 0 0 "[ . 1 . 2]" 2
318 1 20 PHE HZ 1 29 HIS HB3 . . 4.860 2.869 2.353 3.294 . 0 0 "[ . 1 . 2]" 2
319 1 18 LYS H 1 20 PHE HZ . . 5.500 5.202 4.698 5.499 . 0 0 "[ . 1 . 2]" 2
320 1 20 PHE HZ 1 29 HIS HE1 . . 5.500 4.426 3.419 4.973 . 0 0 "[ . 1 . 2]" 2
321 1 28 ILE HB 1 28 ILE MD . . 3.320 2.234 2.076 2.382 . 0 0 "[ . 1 . 2]" 2
322 1 26 LEU MD1 1 29 HIS HB2 . . 4.930 4.656 4.367 4.912 . 0 0 "[ . 1 . 2]" 2
323 1 20 PHE QD 1 29 HIS HB3 . . 4.970 4.352 3.894 4.653 . 0 0 "[ . 1 . 2]" 2
324 1 20 PHE QD 1 29 HIS HB2 . . 4.880 4.552 4.212 4.856 . 0 0 "[ . 1 . 2]" 2
325 1 27 ILE HA 1 30 MET HG3 . . 4.900 3.116 2.130 3.664 . 0 0 "[ . 1 . 2]" 2
326 1 29 HIS HD2 1 30 MET HG3 . . 4.810 4.219 2.800 4.806 . 0 0 "[ . 1 . 2]" 2
327 1 31 ARG HB2 1 31 ARG QD . . 3.340 2.574 2.053 3.061 . 0 0 "[ . 1 . 2]" 2
328 1 15 GLU QG 1 33 HIS HB2 . . 5.100 4.040 3.016 5.032 . 0 0 "[ . 1 . 2]" 2
329 1 30 MET ME 1 33 HIS HB3 . . 5.130 3.896 2.534 4.716 . 0 0 "[ . 1 . 2]" 2
330 1 33 HIS HB3 1 34 THR MG . . 5.110 3.678 2.764 4.832 . 0 0 "[ . 1 . 2]" 2
331 1 15 GLU HB2 1 33 HIS HD2 . . 4.820 3.370 2.851 4.059 . 0 0 "[ . 1 . 2]" 2
332 1 8 VAL H 1 8 VAL QG . . 3.900 2.221 1.926 2.781 . 0 0 "[ . 1 . 2]" 2
333 1 8 VAL QG 1 9 LYS H . . 4.520 3.065 2.126 3.660 . 0 0 "[ . 1 . 2]" 2
334 1 9 LYS H 1 9 LYS QB . . 3.700 2.642 2.159 3.177 . 0 0 "[ . 1 . 2]" 2
335 1 9 LYS H 1 9 LYS QG . . 4.650 2.855 2.018 3.647 . 0 0 "[ . 1 . 2]" 2
336 1 9 LYS HA 1 9 LYS QG . . 3.690 2.832 2.175 3.458 . 0 0 "[ . 1 . 2]" 2
337 1 9 LYS HA 1 10 PRO QG . . 4.340 3.921 3.818 3.992 . 0 0 "[ . 1 . 2]" 2
338 1 9 LYS QB 1 9 LYS QE . . 3.740 3.231 2.250 3.734 . 0 0 "[ . 1 . 2]" 2
339 1 9 LYS QB 1 10 PRO HD2 . . 4.400 2.881 2.060 3.974 . 0 0 "[ . 1 . 2]" 2
340 1 9 LYS QB 1 10 PRO HD3 . . 4.760 3.903 3.407 4.478 . 0 0 "[ . 1 . 2]" 2
341 1 9 LYS QB 1 19 ALA MB . . 3.360 2.391 1.989 2.831 . 0 0 "[ . 1 . 2]" 2
342 1 9 LYS QB 1 20 PHE H . . 4.030 3.252 2.697 3.860 . 0 0 "[ . 1 . 2]" 2
343 1 9 LYS QE 1 9 LYS QG . . 3.340 2.253 2.084 2.493 . 0 0 "[ . 1 . 2]" 2
344 1 10 PRO QG 1 11 TYR H . . 4.320 2.656 2.221 3.049 . 0 0 "[ . 1 . 2]" 2
345 1 10 PRO QG 1 11 TYR QD . . 4.160 2.356 1.991 2.911 . 0 0 "[ . 1 . 2]" 2
346 1 10 PRO QG 1 11 TYR QE . . 4.180 2.596 2.381 2.766 . 0 0 "[ . 1 . 2]" 2
347 1 11 TYR HB2 1 20 PHE QB . . 4.720 2.688 2.112 3.182 . 0 0 "[ . 1 . 2]" 2
348 1 11 TYR HB2 1 26 LEU QB . . 4.220 3.392 2.982 3.660 . 0 0 "[ . 1 . 2]" 2
349 1 11 TYR HB3 1 20 PHE QB . . 5.340 3.579 2.842 4.080 . 0 0 "[ . 1 . 2]" 2
350 1 11 TYR HB3 1 26 LEU QB . . 3.980 2.871 2.295 3.114 . 0 0 "[ . 1 . 2]" 2
351 1 11 TYR QD 1 23 LYS QB . . 5.340 3.845 3.106 5.132 . 0 0 "[ . 1 . 2]" 2
352 1 11 TYR QE 1 23 LYS QB . . 5.070 2.876 2.118 4.693 . 0 0 "[ . 1 . 2]" 2
353 1 11 TYR QE 1 23 LYS QD . . 4.730 3.358 2.060 4.356 . 0 0 "[ . 1 . 2]" 2
354 1 12 GLY QA 1 13 CYS H . . 3.070 2.133 2.110 2.287 . 0 0 "[ . 1 . 2]" 2
355 1 12 GLY QA 1 19 ALA HA . . 3.970 2.127 1.976 2.461 . 0 0 "[ . 1 . 2]" 2
356 1 12 GLY QA 1 19 ALA MB . . 4.220 3.138 2.811 3.623 . 0 0 "[ . 1 . 2]" 2
357 1 12 GLY QA 1 20 PHE H . . 4.550 3.534 3.005 4.175 . 0 0 "[ . 1 . 2]" 2
358 1 13 CYS HB2 1 18 LYS QB . . 4.930 3.325 2.769 3.986 . 0 0 "[ . 1 . 2]" 2
359 1 13 CYS HB3 1 18 LYS QB . . 4.750 2.494 1.996 3.021 . 0 0 "[ . 1 . 2]" 2
360 1 15 GLU H 1 15 GLU QB . . 3.120 2.449 2.255 2.534 . 0 0 "[ . 1 . 2]" 2
361 1 15 GLU QB 1 30 MET ME . . 4.720 3.586 2.794 4.464 . 0 0 "[ . 1 . 2]" 2
362 1 15 GLU QB 1 33 HIS HD2 . . 4.110 3.242 2.790 3.856 . 0 0 "[ . 1 . 2]" 2
363 1 15 GLU QG 1 33 HIS QB . . 4.320 3.046 2.254 4.122 . 0 0 "[ . 1 . 2]" 2
364 1 16 CYS H 1 16 CYS QB . . 3.510 2.847 2.698 2.948 . 0 0 "[ . 1 . 2]" 2
365 1 16 CYS H 1 17 GLY QA . . 4.180 3.986 3.831 4.120 . 0 0 "[ . 1 . 2]" 2
366 1 16 CYS QB 1 17 GLY H . . 4.080 3.334 3.244 3.373 . 0 0 "[ . 1 . 2]" 2
367 1 16 CYS QB 1 33 HIS HE1 . . 3.350 2.392 2.009 2.869 . 0 0 "[ . 1 . 2]" 2
368 1 18 LYS H 1 18 LYS QB . . 3.210 2.548 2.352 2.847 . 0 0 "[ . 1 . 2]" 2
369 1 18 LYS H 1 18 LYS QG . . 3.560 3.225 2.888 3.372 . 0 0 "[ . 1 . 2]" 2
370 1 18 LYS HA 1 18 LYS QG . . 3.370 2.314 2.173 2.671 . 0 0 "[ . 1 . 2]" 2
371 1 18 LYS QB 1 18 LYS QD . . 3.240 2.153 2.026 2.385 . 0 0 "[ . 1 . 2]" 2
372 1 18 LYS QB 1 19 ALA H . . 3.390 2.232 1.981 2.912 . 0 0 "[ . 1 . 2]" 2
373 1 18 LYS QB 1 20 PHE HZ . . 3.940 2.738 2.371 3.134 . 0 0 "[ . 1 . 2]" 2
374 1 18 LYS QG 1 19 ALA H . . 5.120 3.710 3.427 4.238 . 0 0 "[ . 1 . 2]" 2
375 1 18 LYS QG 1 29 HIS HE1 . . 4.920 3.834 2.129 4.829 . 0 0 "[ . 1 . 2]" 2
376 1 19 ALA MB 1 20 PHE QB . . 5.080 4.668 4.535 4.909 . 0 0 "[ . 1 . 2]" 2
377 1 20 PHE H 1 20 PHE QB . . 3.580 2.917 2.693 3.055 . 0 0 "[ . 1 . 2]" 2
378 1 20 PHE QB 1 22 SER H . . 3.290 2.907 2.464 3.150 . 0 0 "[ . 1 . 2]" 2
379 1 20 PHE QB 1 23 LYS HA . . 5.270 4.130 3.851 4.658 . 0 0 "[ . 1 . 2]" 2
380 1 20 PHE QB 1 25 TYR QB . . 3.490 1.977 1.813 2.344 . 0 0 "[ . 1 . 2]" 2
381 1 20 PHE QB 1 26 LEU H . . 3.650 2.875 2.349 3.362 . 0 0 "[ . 1 . 2]" 2
382 1 20 PHE QB 1 26 LEU HA . . 4.500 3.402 3.191 3.640 . 0 0 "[ . 1 . 2]" 2
383 1 20 PHE QB 1 26 LEU QB . . 3.720 2.606 2.349 2.861 . 0 0 "[ . 1 . 2]" 2
384 1 20 PHE QB 1 26 LEU MD1 . . 4.770 3.761 2.945 4.142 . 0 0 "[ . 1 . 2]" 2
385 1 20 PHE QB 1 26 LEU MD2 . . 5.310 4.180 3.815 4.424 . 0 0 "[ . 1 . 2]" 2
386 1 20 PHE QD 1 25 TYR QB . . 3.560 2.194 1.982 2.722 . 0 0 "[ . 1 . 2]" 2
387 1 20 PHE QD 1 26 LEU QB . . 4.120 2.703 2.082 3.471 . 0 0 "[ . 1 . 2]" 2
388 1 21 ARG QG 1 22 SER QB . . 4.380 3.513 2.338 4.374 . 0 0 "[ . 1 . 2]" 2
389 1 22 SER H 1 25 TYR QB . . 3.630 3.012 2.461 3.385 . 0 0 "[ . 1 . 2]" 2
390 1 22 SER QB 1 23 LYS H . . 4.020 2.950 2.037 3.803 . 0 0 "[ . 1 . 2]" 2
391 1 22 SER QB 1 25 TYR H . . 3.820 2.918 2.432 3.818 . 0 0 "[ . 1 . 2]" 2
392 1 22 SER QB 1 25 TYR QD . . 4.510 2.497 1.941 3.720 . 0 0 "[ . 1 . 2]" 2
393 1 22 SER QB 1 25 TYR QE . . 5.340 3.917 3.180 5.340 . 0 0 "[ . 1 . 2]" 2
394 1 23 LYS H 1 23 LYS QB . . 3.460 2.316 2.117 2.608 . 0 0 "[ . 1 . 2]" 2
395 1 23 LYS HA 1 26 LEU QB . . 3.400 2.968 2.698 3.187 . 0 0 "[ . 1 . 2]" 2
396 1 23 LYS QG 1 27 ILE MD . . 4.090 2.722 1.800 3.992 . 0 0 "[ . 1 . 2]" 2
397 1 25 TYR H 1 25 TYR QB . . 3.080 2.233 2.127 2.348 . 0 0 "[ . 1 . 2]" 2
398 1 25 TYR QB 1 26 LEU H . . 3.530 2.575 2.240 2.876 . 0 0 "[ . 1 . 2]" 2
399 1 25 TYR QB 1 27 ILE H . . 5.340 4.900 4.753 5.013 . 0 0 "[ . 1 . 2]" 2
400 1 26 LEU H 1 26 LEU QB . . 2.930 2.211 2.159 2.232 . 0 0 "[ . 1 . 2]" 2
401 1 26 LEU H 1 27 ILE QG . . 5.270 4.585 4.094 5.301 0.031 19 0 "[ . 1 . 2]" 2
402 1 26 LEU QB 1 26 LEU MD2 . . 3.220 2.068 2.009 2.100 . 0 0 "[ . 1 . 2]" 2
403 1 26 LEU QB 1 27 ILE H . . 3.340 2.346 2.249 2.548 . 0 0 "[ . 1 . 2]" 2
404 1 26 LEU HG 1 30 MET QG . . 4.000 2.179 1.831 2.465 . 0 0 "[ . 1 . 2]" 2
405 1 26 LEU MD1 1 30 MET QG . . 3.580 2.296 1.962 2.731 . 0 0 "[ . 1 . 2]" 2
406 1 26 LEU MD2 1 30 MET QG . . 4.630 3.205 2.586 3.602 . 0 0 "[ . 1 . 2]" 2
407 1 27 ILE H 1 27 ILE QG . . 3.380 2.161 1.891 2.965 . 0 0 "[ . 1 . 2]" 2
408 1 27 ILE H 1 30 MET QG . . 5.340 4.209 3.681 4.661 . 0 0 "[ . 1 . 2]" 2
409 1 27 ILE HA 1 30 MET QB . . 3.570 2.310 2.074 2.630 . 0 0 "[ . 1 . 2]" 2
410 1 27 ILE HA 1 30 MET QG . . 4.110 2.925 2.120 3.442 . 0 0 "[ . 1 . 2]" 2
411 1 27 ILE QG 1 30 MET H . . 5.340 5.090 4.914 5.261 . 0 0 "[ . 1 . 2]" 2
412 1 28 ILE HA 1 28 ILE QG . . 3.320 2.413 2.315 2.496 . 0 0 "[ . 1 . 2]" 2
413 1 28 ILE HA 1 31 ARG QG . . 3.940 2.995 1.888 3.824 . 0 0 "[ . 1 . 2]" 2
414 1 28 ILE QG 1 28 ILE MG . . 3.240 2.154 2.008 2.328 . 0 0 "[ . 1 . 2]" 2
415 1 28 ILE QG 1 29 HIS H . . 5.030 4.207 4.043 4.495 . 0 0 "[ . 1 . 2]" 2
416 1 29 HIS HA 1 31 ARG QG . . 4.390 3.708 2.923 4.387 . 0 0 "[ . 1 . 2]" 2
417 1 29 HIS HD2 1 30 MET QG . . 4.190 2.905 2.151 3.378 . 0 0 "[ . 1 . 2]" 2
418 1 30 MET H 1 30 MET QB . . 3.070 2.387 2.179 2.599 . 0 0 "[ . 1 . 2]" 2
419 1 30 MET H 1 31 ARG QB . . 5.340 4.698 4.200 5.067 . 0 0 "[ . 1 . 2]" 2
420 1 30 MET HA 1 30 MET QG . . 3.600 2.537 2.220 3.023 . 0 0 "[ . 1 . 2]" 2
421 1 30 MET QB 1 31 ARG H . . 3.820 2.788 2.207 3.639 . 0 0 "[ . 1 . 2]" 2
422 1 30 MET QB 1 33 HIS H . . 5.340 4.504 4.050 4.923 . 0 0 "[ . 1 . 2]" 2
423 1 30 MET ME 1 30 MET QG . . 3.540 2.293 1.998 2.540 . 0 0 "[ . 1 . 2]" 2
424 1 30 MET ME 1 33 HIS QB . . 4.270 3.164 1.819 3.797 . 0 0 "[ . 1 . 2]" 2
425 1 31 ARG H 1 31 ARG QG . . 2.860 2.269 1.936 2.598 . 0 0 "[ . 1 . 2]" 2
426 1 31 ARG HA 1 31 ARG QG . . 3.580 3.123 2.385 3.431 . 0 0 "[ . 1 . 2]" 2
427 1 31 ARG QB 1 32 THR H . . 3.760 3.177 2.129 3.624 . 0 0 "[ . 1 . 2]" 2
428 1 33 HIS H 1 33 HIS QB . . 3.040 2.285 2.162 2.482 . 0 0 "[ . 1 . 2]" 2
429 1 33 HIS QB 1 33 HIS HD2 . . 3.440 2.634 2.625 2.648 . 0 0 "[ . 1 . 2]" 2
430 1 33 HIS QB 1 34 THR H . . 4.250 2.553 2.168 3.847 . 0 0 "[ . 1 . 2]" 2
431 1 33 HIS QB 1 34 THR MG . . 4.380 3.127 2.643 3.688 . 0 0 "[ . 1 . 2]" 2
432 1 36 GLU H 1 36 GLU QB . . 3.590 2.671 2.165 3.126 . 0 0 "[ . 1 . 2]" 2
433 1 36 GLU H 1 36 GLU QG . . 4.540 2.992 1.889 4.337 . 0 0 "[ . 1 . 2]" 2
434 1 36 GLU QB 1 37 LYS H . . 4.400 3.506 2.372 4.044 . 0 0 "[ . 1 . 2]" 2
435 1 37 LYS H 1 37 LYS QB . . 3.680 2.543 2.241 3.186 . 0 0 "[ . 1 . 2]" 2
436 1 37 LYS HA 1 38 PRO QD . . 3.160 2.038 1.957 2.269 . 0 0 "[ . 1 . 2]" 2
437 1 37 LYS QB 1 38 PRO QD . . 4.470 2.933 1.980 3.811 . 0 0 "[ . 1 . 2]" 2
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