NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507892 |
2enf   |
10174 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2enf
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 29
_Distance_constraint_stats_list.Viol_total 0.632
_Distance_constraint_stats_list.Viol_max 0.003
_Distance_constraint_stats_list.Viol_rms 0.0004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0011
_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 15 CYS 0.015 0.003 16 0 "[ . 1 . 2]"
1 18 CYS 0.019 0.003 20 0 "[ . 1 . 2]"
1 31 HIS 0.007 0.002 20 0 "[ . 1 . 2]"
1 35 HIS 0.005 0.003 16 0 "[ . 1 . 2]"
2 1 ZN 0.016 0.002 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 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.380 2.305 2.391 0.001 10 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.346 3.250 3.509 0.000 6 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.220 2.188 2.356 0.002 20 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.507 3.490 3.512 0.002 20 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.087 2.013 2.101 0.001 10 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 2.053 1.950 2.099 . 0 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.867 3.603 3.963 0.003 20 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.441 3.319 3.718 0.001 19 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.636 3.423 3.723 0.003 16 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.363 3.318 3.614 0.002 20 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.527 3.320 3.711 . 0 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.518 3.003 3.599 . 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 444
_Distance_constraint_stats_list.Viol_count 92
_Distance_constraint_stats_list.Viol_total 14.196
_Distance_constraint_stats_list.Viol_max 0.084
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_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 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.021 0.015 20 0 "[ . 1 . 2]"
1 12 PRO 0.037 0.026 20 0 "[ . 1 . 2]"
1 13 TYR 0.043 0.011 15 0 "[ . 1 . 2]"
1 14 LYS 0.051 0.032 7 0 "[ . 1 . 2]"
1 15 CYS 0.024 0.009 19 0 "[ . 1 . 2]"
1 16 ASN 0.017 0.006 7 0 "[ . 1 . 2]"
1 17 GLU 0.070 0.021 19 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.008 0.006 7 0 "[ . 1 . 2]"
1 20 LYS 0.110 0.042 20 0 "[ . 1 . 2]"
1 21 VAL 0.079 0.026 20 0 "[ . 1 . 2]"
1 22 PHE 0.089 0.042 20 0 "[ . 1 . 2]"
1 23 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLN 0.000 0.000 17 0 "[ . 1 . 2]"
1 25 ASN 0.009 0.009 16 0 "[ . 1 . 2]"
1 26 SER 0.002 0.002 18 0 "[ . 1 . 2]"
1 27 HIS 0.010 0.007 18 0 "[ . 1 . 2]"
1 28 LEU 0.030 0.007 20 0 "[ . 1 . 2]"
1 29 VAL 0.002 0.002 18 0 "[ . 1 . 2]"
1 30 ARG 0.133 0.039 9 0 "[ . 1 . 2]"
1 31 HIS 0.073 0.025 9 0 "[ . 1 . 2]"
1 32 ARG 0.192 0.084 17 0 "[ . 1 . 2]"
1 33 GLY 0.056 0.033 11 0 "[ . 1 . 2]"
1 34 ILE 0.052 0.022 10 0 "[ . 1 . 2]"
1 35 HIS 0.024 0.011 16 0 "[ . 1 . 2]"
1 36 THR 0.017 0.006 15 0 "[ . 1 . 2]"
1 37 GLY 0.001 0.001 1 0 "[ . 1 . 2]"
1 38 GLU 0.001 0.001 8 0 "[ . 1 . 2]"
1 39 LYS 0.001 0.001 8 0 "[ . 1 . 2]"
1 40 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 38 GLU HA 1 39 LYS H . . 3.330 2.440 2.138 3.331 0.001 8 0 "[ . 1 . 2]" 2
2 1 10 GLU HA 1 11 LYS H . . 3.310 2.361 2.139 2.819 . 0 0 "[ . 1 . 2]" 2
3 1 11 LYS H 1 11 LYS QB . . 3.880 2.463 2.170 2.955 . 0 0 "[ . 1 . 2]" 2
4 1 11 LYS H 1 11 LYS HG2 . . 5.120 4.066 2.397 5.038 . 0 0 "[ . 1 . 2]" 2
5 1 11 LYS H 1 11 LYS HG3 . . 5.120 3.819 2.295 4.719 . 0 0 "[ . 1 . 2]" 2
6 1 15 CYS H 1 20 LYS H . . 4.570 2.383 1.869 2.933 . 0 0 "[ . 1 . 2]" 2
7 1 20 LYS H 1 21 VAL H . . 4.680 4.337 4.213 4.482 . 0 0 "[ . 1 . 2]" 2
8 1 27 HIS H 1 28 LEU H . . 3.430 2.773 2.497 2.979 . 0 0 "[ . 1 . 2]" 2
9 1 13 TYR QB 1 28 LEU H . . 5.470 5.025 4.457 5.467 . 0 0 "[ . 1 . 2]" 2
10 1 28 LEU H 1 28 LEU HB3 . . 3.270 2.338 2.256 2.470 . 0 0 "[ . 1 . 2]" 2
11 1 28 LEU H 1 28 LEU HG . . 4.520 4.347 4.233 4.464 . 0 0 "[ . 1 . 2]" 2
12 1 20 LYS H 1 20 LYS HB3 . . 3.900 3.299 2.737 3.787 . 0 0 "[ . 1 . 2]" 2
13 1 28 LEU H 1 28 LEU HB2 . . 3.490 2.730 2.570 2.916 . 0 0 "[ . 1 . 2]" 2
14 1 14 LYS HG2 1 20 LYS H . . 4.430 3.584 2.658 4.462 0.032 7 0 "[ . 1 . 2]" 2
15 1 14 LYS HG3 1 20 LYS H . . 4.430 3.225 2.494 3.871 . 0 0 "[ . 1 . 2]" 2
16 1 28 LEU H 1 28 LEU MD1 . . 4.480 4.202 4.077 4.300 . 0 0 "[ . 1 . 2]" 2
17 1 13 TYR H 1 22 PHE H . . 4.410 4.306 4.088 4.421 0.011 15 0 "[ . 1 . 2]" 2
18 1 22 PHE H 1 22 PHE QD . . 3.550 2.812 2.435 3.188 . 0 0 "[ . 1 . 2]" 2
19 1 14 LYS HA 1 22 PHE H . . 4.260 3.936 3.594 4.261 0.001 11 0 "[ . 1 . 2]" 2
20 1 13 TYR QB 1 22 PHE H . . 4.100 2.945 2.661 3.407 . 0 0 "[ . 1 . 2]" 2
21 1 22 PHE H 1 22 PHE HB2 . . 3.740 2.845 2.693 3.036 . 0 0 "[ . 1 . 2]" 2
22 1 21 VAL MG2 1 22 PHE H . . 4.530 3.598 3.361 3.829 . 0 0 "[ . 1 . 2]" 2
23 1 21 VAL HB 1 22 PHE H . . 3.950 2.522 2.132 2.790 . 0 0 "[ . 1 . 2]" 2
24 1 27 HIS H 1 27 HIS HD2 . . 3.740 2.765 2.161 3.379 . 0 0 "[ . 1 . 2]" 2
25 1 26 SER QB 1 27 HIS H . . 4.420 2.809 2.205 3.565 . 0 0 "[ . 1 . 2]" 2
26 1 27 HIS H 1 27 HIS HB2 . . 4.110 2.346 2.209 2.609 . 0 0 "[ . 1 . 2]" 2
27 1 24 GLN HB3 1 27 HIS H . . 4.430 2.836 2.390 3.261 . 0 0 "[ . 1 . 2]" 2
28 1 24 GLN HB2 1 27 HIS H . . 4.430 3.752 2.936 4.430 0.000 17 0 "[ . 1 . 2]" 2
29 1 15 CYS HA 1 17 GLU H . . 4.210 3.752 3.432 3.888 . 0 0 "[ . 1 . 2]" 2
30 1 15 CYS HB3 1 17 GLU H . . 4.630 3.662 3.156 4.493 . 0 0 "[ . 1 . 2]" 2
31 1 16 ASN QB 1 17 GLU H . . 3.860 3.472 2.652 3.866 0.006 7 0 "[ . 1 . 2]" 2
32 1 17 GLU H 1 17 GLU HG2 . . 4.730 2.798 1.897 4.751 0.021 19 0 "[ . 1 . 2]" 2
33 1 17 GLU H 1 17 GLU QB . . 3.050 2.619 2.381 2.722 . 0 0 "[ . 1 . 2]" 2
34 1 38 GLU H 1 38 GLU HG2 . . 5.190 3.696 2.206 4.723 . 0 0 "[ . 1 . 2]" 2
35 1 38 GLU H 1 38 GLU HG3 . . 5.190 3.993 2.709 4.605 . 0 0 "[ . 1 . 2]" 2
36 1 38 GLU H 1 38 GLU HB3 . . 4.180 3.291 2.588 4.090 . 0 0 "[ . 1 . 2]" 2
37 1 12 PRO HB2 1 13 TYR H . . 4.580 3.765 3.445 3.980 . 0 0 "[ . 1 . 2]" 2
38 1 13 TYR H 1 13 TYR QD . . 3.720 2.931 2.453 3.668 . 0 0 "[ . 1 . 2]" 2
39 1 12 PRO HA 1 13 TYR H . . 3.500 3.391 3.288 3.501 0.001 17 0 "[ . 1 . 2]" 2
40 1 13 TYR H 1 13 TYR QB . . 3.300 2.481 2.321 2.698 . 0 0 "[ . 1 . 2]" 2
41 1 13 TYR H 1 21 VAL MG1 . . 4.550 3.952 3.396 4.373 . 0 0 "[ . 1 . 2]" 2
42 1 33 GLY H 1 34 ILE H . . 3.740 2.885 2.726 3.047 . 0 0 "[ . 1 . 2]" 2
43 1 32 ARG QB 1 33 GLY H . . 4.010 2.954 2.622 3.394 . 0 0 "[ . 1 . 2]" 2
44 1 31 HIS H 1 32 ARG H . . 3.520 2.919 2.668 3.046 . 0 0 "[ . 1 . 2]" 2
45 1 31 HIS H 1 31 HIS HB3 . . 3.250 2.283 2.219 2.417 . 0 0 "[ . 1 . 2]" 2
46 1 31 HIS H 1 31 HIS HB2 . . 3.250 2.823 2.676 2.906 . 0 0 "[ . 1 . 2]" 2
47 1 30 ARG QB 1 31 HIS H . . 3.460 2.575 2.245 3.485 0.025 9 0 "[ . 1 . 2]" 2
48 1 28 LEU MD1 1 31 HIS H . . 4.780 4.448 4.088 4.764 . 0 0 "[ . 1 . 2]" 2
49 1 28 LEU H 1 29 VAL H . . 3.400 2.762 2.547 3.097 . 0 0 "[ . 1 . 2]" 2
50 1 26 SER HA 1 29 VAL H . . 4.080 3.731 3.346 3.929 . 0 0 "[ . 1 . 2]" 2
51 1 25 ASN HA 1 29 VAL H . . 4.560 3.978 3.627 4.272 . 0 0 "[ . 1 . 2]" 2
52 1 28 LEU HB3 1 29 VAL H . . 3.550 2.364 2.107 2.580 . 0 0 "[ . 1 . 2]" 2
53 1 29 VAL H 1 29 VAL HB . . 3.190 2.508 2.247 2.682 . 0 0 "[ . 1 . 2]" 2
54 1 28 LEU HG 1 29 VAL H . . 4.410 3.106 2.645 3.438 . 0 0 "[ . 1 . 2]" 2
55 1 28 LEU HB2 1 29 VAL H . . 4.110 3.799 3.626 3.937 . 0 0 "[ . 1 . 2]" 2
56 1 34 ILE H 1 35 HIS H . . 3.530 2.802 2.553 2.943 . 0 0 "[ . 1 . 2]" 2
57 1 32 ARG HA 1 34 ILE H . . 4.580 4.113 3.660 4.591 0.011 10 0 "[ . 1 . 2]" 2
58 1 31 HIS HA 1 34 ILE H . . 4.740 3.743 3.286 4.041 . 0 0 "[ . 1 . 2]" 2
59 1 34 ILE H 1 34 ILE HB . . 3.760 3.613 3.592 3.658 . 0 0 "[ . 1 . 2]" 2
60 1 34 ILE H 1 34 ILE HG12 . . 4.170 2.535 2.309 3.532 . 0 0 "[ . 1 . 2]" 2
61 1 34 ILE H 1 34 ILE HG13 . . 4.170 3.259 2.732 3.632 . 0 0 "[ . 1 . 2]" 2
62 1 29 VAL H 1 30 ARG H . . 3.630 2.940 2.804 3.119 . 0 0 "[ . 1 . 2]" 2
63 1 28 LEU H 1 30 ARG H . . 4.650 4.160 3.761 4.554 . 0 0 "[ . 1 . 2]" 2
64 1 27 HIS HA 1 30 ARG H . . 4.410 3.952 3.544 4.275 . 0 0 "[ . 1 . 2]" 2
65 1 28 LEU HA 1 30 ARG H . . 5.260 4.338 4.036 4.864 . 0 0 "[ . 1 . 2]" 2
66 1 30 ARG H 1 30 ARG QB . . 3.000 2.272 2.158 2.554 . 0 0 "[ . 1 . 2]" 2
67 1 30 ARG H 1 30 ARG HG2 . . 4.610 3.870 1.968 4.631 0.021 10 0 "[ . 1 . 2]" 2
68 1 29 VAL MG1 1 30 ARG H . . 4.060 2.838 1.793 3.549 . 0 0 "[ . 1 . 2]" 2
69 1 34 ILE MD 1 35 HIS H . . 5.500 3.932 2.772 5.016 . 0 0 "[ . 1 . 2]" 2
70 1 35 HIS H 1 36 THR H . . 3.910 2.720 2.059 3.775 . 0 0 "[ . 1 . 2]" 2
71 1 35 HIS H 1 35 HIS HD2 . . 4.530 2.837 2.160 3.917 . 0 0 "[ . 1 . 2]" 2
72 1 32 ARG HA 1 35 HIS H . . 4.630 3.644 3.195 4.111 . 0 0 "[ . 1 . 2]" 2
73 1 35 HIS H 1 35 HIS HB2 . . 4.040 2.512 2.352 2.644 . 0 0 "[ . 1 . 2]" 2
74 1 35 HIS H 1 35 HIS HB3 . . 4.040 3.639 3.574 3.763 . 0 0 "[ . 1 . 2]" 2
75 1 34 ILE HB 1 35 HIS H . . 4.580 4.029 3.823 4.479 . 0 0 "[ . 1 . 2]" 2
76 1 21 VAL H 1 22 PHE H . . 5.180 4.551 4.497 4.578 . 0 0 "[ . 1 . 2]" 2
77 1 21 VAL H 1 21 VAL HB . . 3.720 3.681 3.632 3.735 0.015 11 0 "[ . 1 . 2]" 2
78 1 20 LYS HG2 1 21 VAL H . . 4.620 3.555 2.737 4.368 . 0 0 "[ . 1 . 2]" 2
79 1 32 ARG H 1 33 GLY H . . 3.730 2.891 2.731 3.012 . 0 0 "[ . 1 . 2]" 2
80 1 31 HIS HD2 1 32 ARG H . . 4.350 2.834 2.272 3.256 . 0 0 "[ . 1 . 2]" 2
81 1 30 ARG HA 1 32 ARG H . . 4.810 4.588 4.253 4.816 0.006 17 0 "[ . 1 . 2]" 2
82 1 22 PHE HB3 1 24 GLN H . . 3.710 2.917 2.509 3.372 . 0 0 "[ . 1 . 2]" 2
83 1 31 HIS HB3 1 32 ARG H . . 4.200 2.570 2.425 2.779 . 0 0 "[ . 1 . 2]" 2
84 1 31 HIS HB2 1 32 ARG H . . 4.200 3.920 3.807 4.065 . 0 0 "[ . 1 . 2]" 2
85 1 32 ARG H 1 32 ARG QB . . 3.490 2.448 2.123 2.659 . 0 0 "[ . 1 . 2]" 2
86 1 32 ARG H 1 32 ARG QG . . 3.630 2.362 1.883 3.714 0.084 17 0 "[ . 1 . 2]" 2
87 1 23 THR MG 1 24 GLN H . . 4.880 2.606 1.858 4.072 . 0 0 "[ . 1 . 2]" 2
88 1 23 THR H 1 24 GLN H . . 4.310 2.466 2.096 2.716 . 0 0 "[ . 1 . 2]" 2
89 1 24 GLN H 1 27 HIS HB2 . . 4.770 3.008 2.584 3.362 . 0 0 "[ . 1 . 2]" 2
90 1 22 PHE HB2 1 24 GLN H . . 4.150 3.704 3.176 4.103 . 0 0 "[ . 1 . 2]" 2
91 1 17 GLU H 1 18 CYS H . . 3.250 2.362 1.928 3.107 . 0 0 "[ . 1 . 2]" 2
92 1 18 CYS H 1 19 GLY H . . 2.940 2.122 2.022 2.233 . 0 0 "[ . 1 . 2]" 2
93 1 15 CYS HB3 1 18 CYS H . . 3.890 3.143 2.967 3.540 . 0 0 "[ . 1 . 2]" 2
94 1 18 CYS H 1 18 CYS HB3 . . 3.650 3.136 3.051 3.237 . 0 0 "[ . 1 . 2]" 2
95 1 17 GLU QB 1 18 CYS H . . 3.350 2.358 2.154 2.525 . 0 0 "[ . 1 . 2]" 2
96 1 15 CYS H 1 22 PHE QD . . 4.850 4.342 3.928 4.751 . 0 0 "[ . 1 . 2]" 2
97 1 15 CYS H 1 31 HIS HD2 . . 5.500 5.352 5.064 5.499 . 0 0 "[ . 1 . 2]" 2
98 1 15 CYS H 1 22 PHE QE . . 4.390 3.674 3.335 4.176 . 0 0 "[ . 1 . 2]" 2
99 1 14 LYS HA 1 15 CYS H . . 2.990 2.270 2.142 2.386 . 0 0 "[ . 1 . 2]" 2
100 1 15 CYS H 1 15 CYS HB3 . . 3.300 2.530 2.431 2.704 . 0 0 "[ . 1 . 2]" 2
101 1 14 LYS HB3 1 15 CYS H . . 4.710 3.802 3.337 4.356 . 0 0 "[ . 1 . 2]" 2
102 1 14 LYS HB2 1 15 CYS H . . 4.710 4.044 3.664 4.261 . 0 0 "[ . 1 . 2]" 2
103 1 14 LYS HG2 1 15 CYS H . . 3.980 2.879 2.295 3.818 . 0 0 "[ . 1 . 2]" 2
104 1 14 LYS HG3 1 15 CYS H . . 3.980 2.538 1.976 3.304 . 0 0 "[ . 1 . 2]" 2
105 1 15 CYS H 1 21 VAL MG1 . . 4.500 3.902 3.428 4.339 . 0 0 "[ . 1 . 2]" 2
106 1 17 GLU H 1 19 GLY H . . 4.470 3.683 3.120 4.470 0.000 6 0 "[ . 1 . 2]" 2
107 1 19 GLY H 1 20 LYS H . . 3.290 2.393 1.925 2.919 . 0 0 "[ . 1 . 2]" 2
108 1 15 CYS HA 1 19 GLY H . . 5.460 4.915 4.608 5.211 . 0 0 "[ . 1 . 2]" 2
109 1 16 ASN HA 1 19 GLY H . . 5.500 4.913 4.410 5.211 . 0 0 "[ . 1 . 2]" 2
110 1 15 CYS HB3 1 19 GLY H . . 3.800 2.374 2.134 2.662 . 0 0 "[ . 1 . 2]" 2
111 1 15 CYS HB2 1 19 GLY H . . 4.540 4.101 3.812 4.398 . 0 0 "[ . 1 . 2]" 2
112 1 18 CYS HB3 1 19 GLY H . . 4.850 3.866 3.827 3.923 . 0 0 "[ . 1 . 2]" 2
113 1 17 GLU QB 1 19 GLY H . . 4.550 4.212 4.046 4.335 . 0 0 "[ . 1 . 2]" 2
114 1 35 HIS HB2 1 36 THR H . . 5.040 2.888 2.227 4.431 . 0 0 "[ . 1 . 2]" 2
115 1 36 THR H 1 37 GLY QA . . 5.500 4.681 4.046 5.501 0.001 1 0 "[ . 1 . 2]" 2
116 1 35 HIS HB3 1 36 THR H . . 5.040 3.688 3.183 4.502 . 0 0 "[ . 1 . 2]" 2
117 1 36 THR H 1 36 THR MG . . 4.430 2.394 1.903 3.338 . 0 0 "[ . 1 . 2]" 2
118 1 22 PHE HB3 1 23 THR H . . 5.040 2.619 2.189 3.210 . 0 0 "[ . 1 . 2]" 2
119 1 13 TYR H 1 14 LYS H . . 4.440 4.052 3.688 4.398 . 0 0 "[ . 1 . 2]" 2
120 1 13 TYR QD 1 14 LYS H . . 4.820 4.444 4.004 4.737 . 0 0 "[ . 1 . 2]" 2
121 1 13 TYR HA 1 14 LYS H . . 3.020 2.194 2.137 2.283 . 0 0 "[ . 1 . 2]" 2
122 1 36 THR HB 1 37 GLY H . . 5.180 3.839 2.562 4.602 . 0 0 "[ . 1 . 2]" 2
123 1 13 TYR QB 1 14 LYS H . . 4.000 3.600 3.164 3.803 . 0 0 "[ . 1 . 2]" 2
124 1 14 LYS H 1 14 LYS HB3 . . 3.630 2.789 2.505 3.002 . 0 0 "[ . 1 . 2]" 2
125 1 14 LYS H 1 14 LYS HB2 . . 3.630 3.096 2.839 3.376 . 0 0 "[ . 1 . 2]" 2
126 1 14 LYS H 1 28 LEU MD2 . . 3.840 3.227 2.610 3.842 0.002 20 0 "[ . 1 . 2]" 2
127 1 30 ARG H 1 31 HIS H . . 3.490 2.627 2.408 2.854 . 0 0 "[ . 1 . 2]" 2
128 1 15 CYS H 1 28 LEU MD1 . . 4.270 3.094 2.658 3.506 . 0 0 "[ . 1 . 2]" 2
129 1 29 VAL H 1 29 VAL MG1 . . 4.020 3.377 2.416 3.778 . 0 0 "[ . 1 . 2]" 2
130 1 28 LEU MD1 1 32 ARG H . . 4.600 3.627 3.017 4.134 . 0 0 "[ . 1 . 2]" 2
131 1 28 LEU MD1 1 31 HIS HD2 . . 3.470 2.700 2.312 3.295 . 0 0 "[ . 1 . 2]" 2
132 1 14 LYS HA 1 28 LEU MD1 . . 4.960 3.380 2.949 3.971 . 0 0 "[ . 1 . 2]" 2
133 1 15 CYS HA 1 28 LEU MD1 . . 3.590 2.496 2.099 2.948 . 0 0 "[ . 1 . 2]" 2
134 1 26 SER HA 1 29 VAL MG1 . . 4.500 3.354 1.850 4.462 . 0 0 "[ . 1 . 2]" 2
135 1 28 LEU MD1 1 32 ARG HA . . 5.000 4.570 3.820 4.959 . 0 0 "[ . 1 . 2]" 2
136 1 29 VAL HA 1 29 VAL MG1 . . 3.240 2.681 2.311 3.198 . 0 0 "[ . 1 . 2]" 2
137 1 28 LEU HA 1 28 LEU MD1 . . 3.210 2.188 1.988 2.402 . 0 0 "[ . 1 . 2]" 2
138 1 15 CYS HB2 1 28 LEU MD1 . . 3.420 2.273 1.988 2.590 . 0 0 "[ . 1 . 2]" 2
139 1 28 LEU MD1 1 32 ARG QG . . 3.590 3.020 2.401 3.577 . 0 0 "[ . 1 . 2]" 2
140 1 32 ARG QB 1 33 GLY HA2 . . 4.960 3.959 3.832 4.187 . 0 0 "[ . 1 . 2]" 2
141 1 32 ARG QB 1 33 GLY HA3 . . 4.960 4.616 4.332 4.993 0.033 11 0 "[ . 1 . 2]" 2
142 1 22 PHE HB3 1 23 THR MG . . 4.840 3.880 3.325 4.657 . 0 0 "[ . 1 . 2]" 2
143 1 13 TYR QE 1 25 ASN HA . . 4.350 3.516 2.299 4.263 . 0 0 "[ . 1 . 2]" 2
144 1 13 TYR QE 1 25 ASN HB3 . . 4.620 3.598 1.996 4.606 . 0 0 "[ . 1 . 2]" 2
145 1 13 TYR QE 1 25 ASN HB2 . . 4.620 2.615 2.007 3.244 . 0 0 "[ . 1 . 2]" 2
146 1 14 LYS QD 1 19 GLY HA2 . . 5.120 3.707 1.985 4.374 . 0 0 "[ . 1 . 2]" 2
147 1 14 LYS QD 1 19 GLY HA3 . . 5.120 4.592 3.507 5.120 . 0 0 "[ . 1 . 2]" 2
148 1 13 TYR QE 1 28 LEU MD2 . . 4.890 4.202 3.392 4.808 . 0 0 "[ . 1 . 2]" 2
149 1 21 VAL H 1 21 VAL MG1 . . 4.110 2.723 2.545 2.974 . 0 0 "[ . 1 . 2]" 2
150 1 21 VAL MG1 1 22 PHE H . . 3.840 3.651 3.451 3.836 . 0 0 "[ . 1 . 2]" 2
151 1 14 LYS HA 1 21 VAL MG1 . . 3.940 2.588 1.984 3.083 . 0 0 "[ . 1 . 2]" 2
152 1 12 PRO HA 1 21 VAL MG1 . . 5.500 5.456 5.165 5.526 0.026 20 0 "[ . 1 . 2]" 2
153 1 14 LYS HB2 1 21 VAL MG1 . . 4.210 2.176 1.825 2.624 . 0 0 "[ . 1 . 2]" 2
154 1 36 THR HA 1 36 THR MG . . 3.200 2.721 2.115 3.206 0.006 15 0 "[ . 1 . 2]" 2
155 1 35 HIS HB2 1 36 THR MG . . 5.470 3.483 2.737 4.432 . 0 0 "[ . 1 . 2]" 2
156 1 35 HIS HB3 1 36 THR MG . . 5.470 4.369 3.435 5.169 . 0 0 "[ . 1 . 2]" 2
157 1 32 ARG QB 1 36 THR MG . . 5.210 3.793 2.501 4.910 . 0 0 "[ . 1 . 2]" 2
158 1 29 VAL H 1 29 VAL MG2 . . 4.020 2.600 1.880 3.727 . 0 0 "[ . 1 . 2]" 2
159 1 29 VAL MG2 1 30 ARG H . . 4.060 3.828 3.632 3.971 . 0 0 "[ . 1 . 2]" 2
160 1 26 SER HA 1 29 VAL MG2 . . 4.500 3.339 2.502 4.502 0.002 18 0 "[ . 1 . 2]" 2
161 1 29 VAL HA 1 29 VAL MG2 . . 3.240 2.263 2.037 2.431 . 0 0 "[ . 1 . 2]" 2
162 1 27 HIS HA 1 27 HIS HD2 . . 3.620 2.724 2.262 3.314 . 0 0 "[ . 1 . 2]" 2
163 1 20 LYS HA 1 21 VAL MG2 . . 3.930 3.720 3.557 3.922 . 0 0 "[ . 1 . 2]" 2
164 1 21 VAL H 1 21 VAL MG2 . . 3.280 1.987 1.873 2.252 . 0 0 "[ . 1 . 2]" 2
165 1 14 LYS HA 1 21 VAL MG2 . . 4.860 4.642 4.362 4.865 0.005 12 0 "[ . 1 . 2]" 2
166 1 11 LYS QE 1 21 VAL MG2 . . 5.500 4.096 2.921 5.366 . 0 0 "[ . 1 . 2]" 2
167 1 14 LYS QE 1 21 VAL MG2 . . 5.500 4.591 3.018 5.481 . 0 0 "[ . 1 . 2]" 2
168 1 11 LYS QD 1 21 VAL MG2 . . 4.340 3.319 1.957 4.355 0.015 20 0 "[ . 1 . 2]" 2
169 1 14 LYS QD 1 21 VAL MG2 . . 4.800 4.196 3.758 4.800 . 0 0 "[ . 1 . 2]" 2
170 1 18 CYS HA 1 35 HIS HE1 . . 4.580 3.754 3.315 4.378 . 0 0 "[ . 1 . 2]" 2
171 1 18 CYS HB2 1 35 HIS HE1 . . 3.850 3.735 3.539 3.847 . 0 0 "[ . 1 . 2]" 2
172 1 18 CYS HB3 1 35 HIS HE1 . . 3.190 2.033 2.000 2.131 . 0 0 "[ . 1 . 2]" 2
173 1 32 ARG QB 1 32 ARG HD3 . . 3.630 2.700 2.094 3.481 . 0 0 "[ . 1 . 2]" 2
174 1 28 LEU HG 1 32 ARG HD2 . . 4.710 3.839 2.957 4.714 0.004 18 0 "[ . 1 . 2]" 2
175 1 28 LEU HG 1 32 ARG HD3 . . 4.710 3.611 2.664 4.594 . 0 0 "[ . 1 . 2]" 2
176 1 28 LEU MD1 1 32 ARG HD2 . . 4.380 3.509 2.002 4.384 0.004 10 0 "[ . 1 . 2]" 2
177 1 28 LEU MD1 1 32 ARG HD3 . . 4.380 3.691 2.479 4.381 0.001 17 0 "[ . 1 . 2]" 2
178 1 20 LYS HD3 1 31 HIS HE1 . . 4.370 3.303 1.999 4.369 . 0 0 "[ . 1 . 2]" 2
179 1 31 HIS HE1 1 34 ILE MD . . 3.370 2.235 2.008 2.631 . 0 0 "[ . 1 . 2]" 2
180 1 31 HIS HE1 1 34 ILE MG . . 4.450 4.088 3.691 4.434 . 0 0 "[ . 1 . 2]" 2
181 1 30 ARG H 1 30 ARG QD . . 4.770 3.909 1.980 4.633 . 0 0 "[ . 1 . 2]" 2
182 1 22 PHE HB3 1 28 LEU H . . 5.150 3.702 3.368 4.045 . 0 0 "[ . 1 . 2]" 2
183 1 22 PHE HB2 1 28 LEU H . . 4.420 3.363 3.026 3.826 . 0 0 "[ . 1 . 2]" 2
184 1 22 PHE HB3 1 27 HIS HB2 . . 3.950 2.594 2.018 3.120 . 0 0 "[ . 1 . 2]" 2
185 1 22 PHE HB2 1 28 LEU HA . . 5.040 3.865 3.484 4.260 . 0 0 "[ . 1 . 2]" 2
186 1 13 TYR QB 1 22 PHE HB3 . . 5.040 4.802 4.374 5.025 . 0 0 "[ . 1 . 2]" 2
187 1 22 PHE HB3 1 28 LEU HB3 . . 5.010 4.905 4.605 5.017 0.007 20 0 "[ . 1 . 2]" 2
188 1 22 PHE HB2 1 28 LEU HB3 . . 4.660 3.690 3.241 3.877 . 0 0 "[ . 1 . 2]" 2
189 1 30 ARG QB 1 30 ARG QD . . 3.320 2.191 2.067 2.712 . 0 0 "[ . 1 . 2]" 2
190 1 22 PHE HB3 1 28 LEU HB2 . . 4.530 3.814 3.587 4.164 . 0 0 "[ . 1 . 2]" 2
191 1 22 PHE HB2 1 28 LEU HB2 . . 4.130 2.440 2.148 2.663 . 0 0 "[ . 1 . 2]" 2
192 1 22 PHE HB2 1 28 LEU MD1 . . 4.580 3.896 3.517 4.202 . 0 0 "[ . 1 . 2]" 2
193 1 22 PHE HB3 1 28 LEU MD1 . . 5.500 4.960 4.590 5.282 . 0 0 "[ . 1 . 2]" 2
194 1 27 HIS HA 1 30 ARG QD . . 4.670 4.112 2.952 4.677 0.007 18 0 "[ . 1 . 2]" 2
195 1 29 VAL HA 1 32 ARG H . . 4.350 3.949 3.474 4.335 . 0 0 "[ . 1 . 2]" 2
196 1 28 LEU HG 1 29 VAL HA . . 4.280 3.235 2.965 3.398 . 0 0 "[ . 1 . 2]" 2
197 1 14 LYS QE 1 19 GLY H . . 5.230 4.668 4.219 5.233 0.003 19 0 "[ . 1 . 2]" 2
198 1 11 LYS HA 1 11 LYS QE . . 4.530 3.979 3.193 4.530 0.000 11 0 "[ . 1 . 2]" 2
199 1 14 LYS QE 1 19 GLY HA3 . . 4.140 3.057 2.525 4.146 0.006 7 0 "[ . 1 . 2]" 2
200 1 14 LYS QE 1 19 GLY HA2 . . 4.140 2.496 1.991 3.431 . 0 0 "[ . 1 . 2]" 2
201 1 14 LYS QE 1 21 VAL MG1 . . 3.940 3.075 1.783 3.713 . 0 0 "[ . 1 . 2]" 2
202 1 25 ASN HA 1 28 LEU HB3 . . 3.870 2.882 2.564 3.055 . 0 0 "[ . 1 . 2]" 2
203 1 25 ASN HA 1 28 LEU HB2 . . 4.250 3.969 3.545 4.225 . 0 0 "[ . 1 . 2]" 2
204 1 13 TYR QB 1 28 LEU HB3 . . 4.070 3.727 3.162 4.071 0.001 18 0 "[ . 1 . 2]" 2
205 1 13 TYR QB 1 28 LEU HB2 . . 3.810 3.313 2.886 3.628 . 0 0 "[ . 1 . 2]" 2
206 1 28 LEU HB3 1 28 LEU MD2 . . 3.390 2.224 2.099 2.355 . 0 0 "[ . 1 . 2]" 2
207 1 28 LEU HB2 1 28 LEU MD1 . . 3.630 2.331 2.167 2.439 . 0 0 "[ . 1 . 2]" 2
208 1 34 ILE H 1 34 ILE MG . . 3.460 1.973 1.863 2.379 . 0 0 "[ . 1 . 2]" 2
209 1 34 ILE MG 1 35 HIS H . . 4.430 3.904 3.775 4.239 . 0 0 "[ . 1 . 2]" 2
210 1 34 ILE MG 1 35 HIS HD2 . . 5.180 4.633 4.097 5.188 0.008 16 0 "[ . 1 . 2]" 2
211 1 34 ILE HG12 1 34 ILE MG . . 3.520 2.221 2.039 2.393 . 0 0 "[ . 1 . 2]" 2
212 1 34 ILE HG13 1 34 ILE MG . . 3.520 3.143 2.667 3.200 . 0 0 "[ . 1 . 2]" 2
213 1 11 LYS HA 1 12 PRO HA . . 4.500 4.402 4.388 4.427 . 0 0 "[ . 1 . 2]" 2
214 1 12 PRO HA 1 13 TYR QB . . 5.490 5.348 5.219 5.465 . 0 0 "[ . 1 . 2]" 2
215 1 34 ILE HA 1 34 ILE MD . . 4.340 4.095 3.557 4.169 . 0 0 "[ . 1 . 2]" 2
216 1 34 ILE HA 1 34 ILE MG . . 3.260 2.415 2.335 2.461 . 0 0 "[ . 1 . 2]" 2
217 1 34 ILE H 1 34 ILE MD . . 4.380 3.934 3.780 4.075 . 0 0 "[ . 1 . 2]" 2
218 1 16 ASN QB 1 17 GLU HA . . 4.760 4.262 3.873 4.457 . 0 0 "[ . 1 . 2]" 2
219 1 8 THR HA 1 8 THR MG . . 3.680 2.425 2.203 3.207 . 0 0 "[ . 1 . 2]" 2
220 1 16 ASN QB 1 17 GLU QB . . 5.010 4.841 4.304 5.010 0.000 7 0 "[ . 1 . 2]" 2
221 1 13 TYR QB 1 22 PHE HB2 . . 3.560 3.383 3.045 3.562 0.002 20 0 "[ . 1 . 2]" 2
222 1 34 ILE HB 1 34 ILE MD . . 3.300 2.256 2.075 2.373 . 0 0 "[ . 1 . 2]" 2
223 1 26 SER QB 1 29 VAL HB . . 5.500 4.816 4.209 5.481 . 0 0 "[ . 1 . 2]" 2
224 1 26 SER HA 1 30 ARG H . . 4.810 4.055 3.570 4.467 . 0 0 "[ . 1 . 2]" 2
225 1 12 PRO HA 1 13 TYR QD . . 5.020 4.644 4.021 5.021 0.001 11 0 "[ . 1 . 2]" 2
226 1 26 SER HA 1 29 VAL HB . . 3.590 3.053 2.539 3.574 . 0 0 "[ . 1 . 2]" 2
227 1 13 TYR HA 1 13 TYR QD . . 3.630 2.779 2.031 3.009 . 0 0 "[ . 1 . 2]" 2
228 1 13 TYR QD 1 25 ASN HA . . 3.910 2.960 2.233 3.706 . 0 0 "[ . 1 . 2]" 2
229 1 13 TYR QD 1 28 LEU HB3 . . 5.030 3.825 2.921 5.029 . 0 0 "[ . 1 . 2]" 2
230 1 13 TYR QD 1 28 LEU MD2 . . 3.600 2.537 1.982 3.409 . 0 0 "[ . 1 . 2]" 2
231 1 22 PHE QD 1 27 HIS HB3 . . 3.930 2.495 1.997 2.983 . 0 0 "[ . 1 . 2]" 2
232 1 22 PHE QD 1 28 LEU HA . . 3.890 3.226 2.847 3.453 . 0 0 "[ . 1 . 2]" 2
233 1 13 TYR QB 1 22 PHE QD . . 3.950 3.726 3.497 3.954 0.004 8 0 "[ . 1 . 2]" 2
234 1 22 PHE QD 1 28 LEU HB3 . . 4.490 4.014 3.710 4.397 . 0 0 "[ . 1 . 2]" 2
235 1 22 PHE QD 1 28 LEU HB2 . . 3.870 2.338 2.005 2.802 . 0 0 "[ . 1 . 2]" 2
236 1 22 PHE QD 1 28 LEU MD1 . . 3.490 2.211 1.971 2.598 . 0 0 "[ . 1 . 2]" 2
237 1 22 PHE QD 1 28 LEU HG . . 4.760 4.541 4.272 4.759 . 0 0 "[ . 1 . 2]" 2
238 1 17 GLU H 1 17 GLU HG3 . . 4.730 3.839 3.128 4.490 . 0 0 "[ . 1 . 2]" 2
239 1 17 GLU HA 1 17 GLU HG3 . . 4.100 3.690 2.981 3.865 . 0 0 "[ . 1 . 2]" 2
240 1 14 LYS HB3 1 14 LYS QE . . 4.890 3.901 2.899 4.423 . 0 0 "[ . 1 . 2]" 2
241 1 14 LYS HB2 1 14 LYS QE . . 4.890 3.735 2.306 4.169 . 0 0 "[ . 1 . 2]" 2
242 1 14 LYS HB3 1 21 VAL MG1 . . 4.210 3.565 3.193 4.050 . 0 0 "[ . 1 . 2]" 2
243 1 32 ARG HA 1 35 HIS HD2 . . 3.550 2.033 1.993 2.186 . 0 0 "[ . 1 . 2]" 2
244 1 32 ARG HA 1 35 HIS HB2 . . 5.500 3.721 2.983 4.153 . 0 0 "[ . 1 . 2]" 2
245 1 32 ARG HA 1 35 HIS HB3 . . 5.500 5.212 4.541 5.511 0.011 16 0 "[ . 1 . 2]" 2
246 1 32 ARG HA 1 32 ARG QG . . 3.580 2.544 2.159 3.317 . 0 0 "[ . 1 . 2]" 2
247 1 31 HIS HA 1 34 ILE MD . . 4.860 4.678 4.222 4.882 0.022 10 0 "[ . 1 . 2]" 2
248 1 31 HIS HA 1 31 HIS HD2 . . 4.770 4.566 4.345 4.692 . 0 0 "[ . 1 . 2]" 2
249 1 30 ARG HA 1 30 ARG QD . . 4.130 3.535 2.091 4.169 0.039 9 0 "[ . 1 . 2]" 2
250 1 17 GLU HA 1 17 GLU HG2 . . 4.100 3.104 2.468 3.895 . 0 0 "[ . 1 . 2]" 2
251 1 30 ARG HA 1 30 ARG HG2 . . 3.990 2.957 2.297 3.931 . 0 0 "[ . 1 . 2]" 2
252 1 31 HIS HA 1 34 ILE MG . . 4.260 3.092 1.967 3.775 . 0 0 "[ . 1 . 2]" 2
253 1 22 PHE QE 1 28 LEU HA . . 4.070 3.286 2.971 3.590 . 0 0 "[ . 1 . 2]" 2
254 1 22 PHE QE 1 31 HIS HB3 . . 4.430 3.468 3.126 3.781 . 0 0 "[ . 1 . 2]" 2
255 1 15 CYS HB2 1 22 PHE QE . . 3.600 2.685 2.264 3.087 . 0 0 "[ . 1 . 2]" 2
256 1 22 PHE QE 1 31 HIS HB2 . . 4.430 3.045 2.394 3.636 . 0 0 "[ . 1 . 2]" 2
257 1 20 LYS HB2 1 22 PHE QE . . 4.300 3.641 2.829 4.303 0.003 10 0 "[ . 1 . 2]" 2
258 1 22 PHE QE 1 28 LEU MD1 . . 3.600 2.097 1.822 2.405 . 0 0 "[ . 1 . 2]" 2
259 1 20 LYS HA 1 21 VAL H . . 2.830 2.180 2.149 2.254 . 0 0 "[ . 1 . 2]" 2
260 1 20 LYS HA 1 20 LYS HG3 . . 3.810 2.491 2.203 2.669 . 0 0 "[ . 1 . 2]" 2
261 1 20 LYS HA 1 20 LYS HG2 . . 3.810 2.874 2.494 3.674 . 0 0 "[ . 1 . 2]" 2
262 1 20 LYS HA 1 21 VAL MG1 . . 4.120 3.765 3.543 4.008 . 0 0 "[ . 1 . 2]" 2
263 1 20 LYS H 1 20 LYS HB2 . . 3.900 2.742 2.383 3.111 . 0 0 "[ . 1 . 2]" 2
264 1 20 LYS HB3 1 22 PHE QE . . 4.300 2.774 2.165 3.541 . 0 0 "[ . 1 . 2]" 2
265 1 20 LYS HB3 1 22 PHE HZ . . 4.660 2.983 2.149 3.476 . 0 0 "[ . 1 . 2]" 2
266 1 14 LYS HA 1 21 VAL HB . . 5.010 4.093 3.592 4.630 . 0 0 "[ . 1 . 2]" 2
267 1 15 CYS HB2 1 20 LYS HB2 . . 5.050 3.977 3.060 4.947 . 0 0 "[ . 1 . 2]" 2
268 1 15 CYS HB2 1 20 LYS HB3 . . 5.050 3.976 3.078 4.883 . 0 0 "[ . 1 . 2]" 2
269 1 11 LYS QB 1 21 VAL HB . . 3.970 2.004 1.923 2.120 . 0 0 "[ . 1 . 2]" 2
270 1 28 LEU HA 1 32 ARG H . . 4.690 4.098 3.596 4.455 . 0 0 "[ . 1 . 2]" 2
271 1 28 LEU HA 1 31 HIS H . . 4.100 3.332 3.093 3.612 . 0 0 "[ . 1 . 2]" 2
272 1 20 LYS HB3 1 21 VAL H . . 4.500 3.538 2.903 4.038 . 0 0 "[ . 1 . 2]" 2
273 1 20 LYS HB2 1 21 VAL H . . 4.500 4.299 4.115 4.388 . 0 0 "[ . 1 . 2]" 2
274 1 28 LEU HA 1 28 LEU HG . . 4.070 3.251 3.124 3.376 . 0 0 "[ . 1 . 2]" 2
275 1 27 HIS HA 1 30 ARG QB . . 3.680 3.229 2.796 3.679 . 0 0 "[ . 1 . 2]" 2
276 1 22 PHE HZ 1 31 HIS HE1 . . 4.980 3.793 3.245 4.591 . 0 0 "[ . 1 . 2]" 2
277 1 25 ASN HA 1 28 LEU H . . 3.920 3.443 3.190 3.635 . 0 0 "[ . 1 . 2]" 2
278 1 22 PHE HZ 1 28 LEU HA . . 4.990 3.957 3.625 4.321 . 0 0 "[ . 1 . 2]" 2
279 1 13 TYR QB 1 25 ASN HA . . 4.090 3.768 3.186 4.099 0.009 16 0 "[ . 1 . 2]" 2
280 1 10 GLU HA 1 11 LYS QB . . 4.620 4.325 3.980 4.620 . 0 0 "[ . 1 . 2]" 2
281 1 20 LYS HB2 1 22 PHE HZ . . 4.660 3.795 3.037 4.562 . 0 0 "[ . 1 . 2]" 2
282 1 25 ASN HA 1 28 LEU MD2 . . 4.130 3.485 3.126 3.858 . 0 0 "[ . 1 . 2]" 2
283 1 22 PHE HZ 1 28 LEU MD1 . . 5.200 3.688 3.306 4.179 . 0 0 "[ . 1 . 2]" 2
284 1 11 LYS QB 1 21 VAL MG1 . . 4.130 2.254 1.924 2.853 . 0 0 "[ . 1 . 2]" 2
285 1 11 LYS QB 1 21 VAL MG2 . . 4.700 2.885 2.349 3.494 . 0 0 "[ . 1 . 2]" 2
286 1 12 PRO HB3 1 13 TYR H . . 4.580 4.390 4.204 4.513 . 0 0 "[ . 1 . 2]" 2
287 1 18 CYS H 1 18 CYS HB2 . . 3.990 3.730 3.672 3.800 . 0 0 "[ . 1 . 2]" 2
288 1 29 VAL HB 1 30 ARG H . . 3.800 2.907 2.255 3.780 . 0 0 "[ . 1 . 2]" 2
289 1 22 PHE QD 1 27 HIS HB2 . . 3.930 3.519 3.334 3.767 . 0 0 "[ . 1 . 2]" 2
290 1 24 GLN H 1 27 HIS HB3 . . 4.770 4.307 3.865 4.764 . 0 0 "[ . 1 . 2]" 2
291 1 28 LEU H 1 29 VAL HB . . 5.500 4.828 4.518 5.161 . 0 0 "[ . 1 . 2]" 2
292 1 27 HIS H 1 27 HIS HB3 . . 4.110 3.561 3.511 3.599 . 0 0 "[ . 1 . 2]" 2
293 1 22 PHE HB3 1 27 HIS HB3 . . 3.950 2.891 2.212 3.338 . 0 0 "[ . 1 . 2]" 2
294 1 22 PHE HB2 1 27 HIS HB2 . . 4.480 3.527 2.812 4.011 . 0 0 "[ . 1 . 2]" 2
295 1 22 PHE HB2 1 27 HIS HB3 . . 4.480 4.103 3.446 4.478 . 0 0 "[ . 1 . 2]" 2
296 1 32 ARG QB 1 35 HIS HD2 . . 4.470 3.807 3.023 4.140 . 0 0 "[ . 1 . 2]" 2
297 1 32 ARG QG 1 35 HIS HD2 . . 4.840 3.966 3.044 4.842 0.002 18 0 "[ . 1 . 2]" 2
298 1 17 GLU QB 1 35 HIS HD2 . . 4.110 3.375 2.487 4.047 . 0 0 "[ . 1 . 2]" 2
299 1 31 HIS HD2 1 32 ARG HA . . 3.930 2.887 2.391 3.330 . 0 0 "[ . 1 . 2]" 2
300 1 15 CYS HB3 1 31 HIS HD2 . . 4.090 3.977 3.773 4.089 . 0 0 "[ . 1 . 2]" 2
301 1 15 CYS HB2 1 31 HIS HD2 . . 3.420 2.764 2.606 2.962 . 0 0 "[ . 1 . 2]" 2
302 1 31 HIS HD2 1 32 ARG QG . . 3.970 2.964 2.504 3.938 . 0 0 "[ . 1 . 2]" 2
303 1 38 GLU H 1 38 GLU HB2 . . 4.180 2.824 2.176 3.919 . 0 0 "[ . 1 . 2]" 2
304 1 31 HIS HD2 1 32 ARG QB . . 4.920 4.090 3.030 4.571 . 0 0 "[ . 1 . 2]" 2
305 1 32 ARG QB 1 32 ARG HD2 . . 3.630 2.886 2.213 3.380 . 0 0 "[ . 1 . 2]" 2
306 1 15 CYS H 1 15 CYS HB2 . . 3.410 2.644 2.363 2.831 . 0 0 "[ . 1 . 2]" 2
307 1 15 CYS HB3 1 20 LYS H . . 3.480 2.036 1.896 2.353 . 0 0 "[ . 1 . 2]" 2
308 1 15 CYS HB2 1 20 LYS H . . 3.900 3.266 2.759 3.562 . 0 0 "[ . 1 . 2]" 2
309 1 15 CYS HB3 1 22 PHE QE . . 4.040 3.830 3.608 4.043 0.003 10 0 "[ . 1 . 2]" 2
310 1 14 LYS HA 1 15 CYS HB3 . . 4.910 4.743 4.649 4.864 . 0 0 "[ . 1 . 2]" 2
311 1 14 LYS HA 1 15 CYS HB2 . . 4.550 4.454 4.375 4.525 . 0 0 "[ . 1 . 2]" 2
312 1 15 CYS HB3 1 28 LEU MD1 . . 3.850 3.633 3.333 3.855 0.005 10 0 "[ . 1 . 2]" 2
313 1 14 LYS QD 1 21 VAL MG1 . . 3.790 2.238 1.740 3.119 . 0 0 "[ . 1 . 2]" 2
314 1 20 LYS HD2 1 31 HIS HE1 . . 4.370 3.133 2.092 4.372 0.002 20 0 "[ . 1 . 2]" 2
315 1 20 LYS HD2 1 22 PHE HZ . . 4.730 4.106 2.270 4.772 0.042 20 0 "[ . 1 . 2]" 2
316 1 20 LYS HD3 1 22 PHE HZ . . 4.730 3.307 2.063 4.059 . 0 0 "[ . 1 . 2]" 2
317 1 11 LYS HA 1 11 LYS QD . . 4.860 3.031 1.964 4.189 . 0 0 "[ . 1 . 2]" 2
318 1 11 LYS QD 1 23 THR HA . . 5.320 3.463 1.982 5.173 . 0 0 "[ . 1 . 2]" 2
319 1 20 LYS HA 1 20 LYS HD2 . . 4.780 4.222 2.517 4.703 . 0 0 "[ . 1 . 2]" 2
320 1 17 GLU QB 1 18 CYS HB3 . . 4.560 3.729 3.609 4.164 . 0 0 "[ . 1 . 2]" 2
321 1 20 LYS HA 1 20 LYS HD3 . . 4.780 4.509 3.937 4.732 . 0 0 "[ . 1 . 2]" 2
322 1 28 LEU MD1 1 31 HIS HB3 . . 4.440 2.940 2.586 3.207 . 0 0 "[ . 1 . 2]" 2
323 1 28 LEU MD1 1 31 HIS HB2 . . 4.440 4.212 3.641 4.438 . 0 0 "[ . 1 . 2]" 2
324 1 28 LEU HG 1 32 ARG QG . . 4.670 3.445 2.520 4.672 0.002 17 0 "[ . 1 . 2]" 2
325 1 13 TYR QB 1 28 LEU HG . . 5.080 4.852 4.280 5.083 0.003 18 0 "[ . 1 . 2]" 2
326 1 30 ARG H 1 30 ARG HG3 . . 4.610 3.786 2.608 4.632 0.022 19 0 "[ . 1 . 2]" 2
327 1 30 ARG HA 1 30 ARG HG3 . . 3.990 2.938 2.317 3.824 . 0 0 "[ . 1 . 2]" 2
328 1 22 PHE QD 1 28 LEU MD2 . . 4.810 3.350 2.960 3.740 . 0 0 "[ . 1 . 2]" 2
329 1 13 TYR HA 1 28 LEU MD2 . . 4.110 3.193 2.616 3.467 . 0 0 "[ . 1 . 2]" 2
330 1 28 LEU MD2 1 29 VAL HA . . 5.110 4.352 4.178 4.604 . 0 0 "[ . 1 . 2]" 2
331 1 28 LEU HA 1 28 LEU MD2 . . 4.470 3.949 3.894 3.994 . 0 0 "[ . 1 . 2]" 2
332 1 13 TYR QB 1 28 LEU MD2 . . 3.340 2.251 1.824 2.565 . 0 0 "[ . 1 . 2]" 2
333 1 20 LYS H 1 20 LYS HG3 . . 4.830 4.122 3.328 4.742 . 0 0 "[ . 1 . 2]" 2
334 1 20 LYS H 1 20 LYS HG2 . . 4.830 4.666 4.451 4.847 0.017 12 0 "[ . 1 . 2]" 2
335 1 20 LYS HG3 1 21 VAL H . . 4.620 3.844 2.684 4.625 0.005 18 0 "[ . 1 . 2]" 2
336 1 11 LYS HA 1 12 PRO HD2 . . 3.210 2.308 2.092 2.494 . 0 0 "[ . 1 . 2]" 2
337 1 11 LYS HA 1 12 PRO HD3 . . 3.210 2.290 2.256 2.342 . 0 0 "[ . 1 . 2]" 2
338 1 11 LYS HG2 1 12 PRO HD3 . . 5.500 4.502 3.430 5.210 . 0 0 "[ . 1 . 2]" 2
339 1 11 LYS HG3 1 12 PRO HD3 . . 5.500 4.436 3.390 5.501 0.001 8 0 "[ . 1 . 2]" 2
340 1 11 LYS HG2 1 12 PRO HD2 . . 5.500 3.394 2.486 4.507 . 0 0 "[ . 1 . 2]" 2
341 1 11 LYS HG3 1 12 PRO HD2 . . 5.500 3.292 1.990 4.386 . 0 0 "[ . 1 . 2]" 2
342 1 14 LYS HG2 1 21 VAL MG1 . . 4.090 3.562 3.229 4.022 . 0 0 "[ . 1 . 2]" 2
343 1 14 LYS HG3 1 21 VAL MG1 . . 4.090 2.410 1.921 4.027 . 0 0 "[ . 1 . 2]" 2
344 1 26 SER HA 1 28 LEU H . . 5.090 4.466 4.116 4.908 . 0 0 "[ . 1 . 2]" 2
345 1 11 LYS H 1 11 LYS QG . . 4.400 3.380 2.273 4.330 . 0 0 "[ . 1 . 2]" 2
346 1 11 LYS QB 1 12 PRO QD . . 4.070 2.495 1.976 3.362 . 0 0 "[ . 1 . 2]" 2
347 1 11 LYS QG 1 23 THR HA . . 4.970 4.053 3.046 4.890 . 0 0 "[ . 1 . 2]" 2
348 1 12 PRO QB 1 13 TYR H . . 3.860 3.560 3.296 3.732 . 0 0 "[ . 1 . 2]" 2
349 1 12 PRO QB 1 13 TYR QB . . 5.340 4.642 4.430 4.834 . 0 0 "[ . 1 . 2]" 2
350 1 12 PRO QB 1 13 TYR QD . . 4.550 3.130 2.221 3.818 . 0 0 "[ . 1 . 2]" 2
351 1 12 PRO QB 1 13 TYR QE . . 4.810 3.502 2.984 3.847 . 0 0 "[ . 1 . 2]" 2
352 1 12 PRO QG 1 13 TYR H . . 4.410 2.951 2.486 3.301 . 0 0 "[ . 1 . 2]" 2
353 1 12 PRO QG 1 13 TYR QD . . 4.330 2.288 1.987 3.426 . 0 0 "[ . 1 . 2]" 2
354 1 12 PRO QG 1 13 TYR QE . . 4.560 3.112 2.367 3.703 . 0 0 "[ . 1 . 2]" 2
355 1 12 PRO QD 1 13 TYR H . . 4.040 2.778 2.613 2.967 . 0 0 "[ . 1 . 2]" 2
356 1 12 PRO QD 1 13 TYR QD . . 4.730 3.565 2.887 4.414 . 0 0 "[ . 1 . 2]" 2
357 1 13 TYR QB 1 14 LYS QB . . 5.340 4.806 4.666 4.933 . 0 0 "[ . 1 . 2]" 2
358 1 13 TYR QD 1 25 ASN QB . . 4.680 3.507 2.934 3.983 . 0 0 "[ . 1 . 2]" 2
359 1 13 TYR QE 1 25 ASN QB . . 3.750 2.444 1.919 3.182 . 0 0 "[ . 1 . 2]" 2
360 1 14 LYS H 1 14 LYS QB . . 3.170 2.585 2.437 2.698 . 0 0 "[ . 1 . 2]" 2
361 1 14 LYS QB 1 14 LYS QE . . 4.260 3.347 2.279 3.712 . 0 0 "[ . 1 . 2]" 2
362 1 14 LYS QB 1 15 CYS H . . 3.970 3.472 3.177 3.802 . 0 0 "[ . 1 . 2]" 2
363 1 14 LYS QB 1 21 VAL MG1 . . 3.400 2.157 1.816 2.593 . 0 0 "[ . 1 . 2]" 2
364 1 14 LYS QE 1 14 LYS QG . . 3.490 2.198 2.027 2.437 . 0 0 "[ . 1 . 2]" 2
365 1 14 LYS QG 1 15 CYS HB3 . . 5.340 3.900 3.652 4.118 . 0 0 "[ . 1 . 2]" 2
366 1 14 LYS QG 1 19 GLY H . . 5.070 4.283 4.004 4.816 . 0 0 "[ . 1 . 2]" 2
367 1 14 LYS QG 1 19 GLY QA . . 3.780 2.657 2.089 3.412 . 0 0 "[ . 1 . 2]" 2
368 1 14 LYS QG 1 20 LYS H . . 3.860 2.941 2.313 3.574 . 0 0 "[ . 1 . 2]" 2
369 1 14 LYS QG 1 21 VAL MG1 . . 3.530 2.324 1.907 3.523 . 0 0 "[ . 1 . 2]" 2
370 1 14 LYS QD 1 19 GLY QA . . 4.270 3.551 1.975 4.141 . 0 0 "[ . 1 . 2]" 2
371 1 14 LYS QE 1 19 GLY QA . . 3.510 2.373 1.935 3.275 . 0 0 "[ . 1 . 2]" 2
372 1 15 CYS HB2 1 20 LYS QB . . 4.410 3.333 2.985 3.667 . 0 0 "[ . 1 . 2]" 2
373 1 15 CYS HB3 1 17 GLU QG . . 5.330 4.990 4.697 5.339 0.009 19 0 "[ . 1 . 2]" 2
374 1 15 CYS HB3 1 20 LYS QB . . 3.980 3.078 2.803 3.363 . 0 0 "[ . 1 . 2]" 2
375 1 17 GLU H 1 17 GLU QG . . 3.960 2.647 1.888 3.980 0.020 19 0 "[ . 1 . 2]" 2
376 1 17 GLU HA 1 17 GLU QG . . 3.530 2.895 2.402 3.084 . 0 0 "[ . 1 . 2]" 2
377 1 18 CYS H 1 19 GLY QA . . 4.530 3.912 3.802 4.021 . 0 0 "[ . 1 . 2]" 2
378 1 20 LYS H 1 20 LYS QB . . 3.030 2.566 2.344 2.713 . 0 0 "[ . 1 . 2]" 2
379 1 20 LYS H 1 20 LYS QD . . 4.930 4.474 3.814 4.911 . 0 0 "[ . 1 . 2]" 2
380 1 20 LYS QB 1 20 LYS QD . . 3.310 2.135 2.053 2.239 . 0 0 "[ . 1 . 2]" 2
381 1 20 LYS QB 1 21 VAL H . . 3.770 3.359 2.849 3.729 . 0 0 "[ . 1 . 2]" 2
382 1 20 LYS QB 1 22 PHE QE . . 3.700 2.605 2.154 3.069 . 0 0 "[ . 1 . 2]" 2
383 1 20 LYS QB 1 22 PHE HZ . . 3.950 2.842 2.128 3.226 . 0 0 "[ . 1 . 2]" 2
384 1 20 LYS QG 1 21 VAL H . . 4.030 3.187 2.572 3.866 . 0 0 "[ . 1 . 2]" 2
385 1 20 LYS QG 1 22 PHE HZ . . 4.830 3.904 1.970 4.830 . 0 0 "[ . 1 . 2]" 2
386 1 20 LYS QD 1 22 PHE QE . . 4.880 3.786 2.909 4.274 . 0 0 "[ . 1 . 2]" 2
387 1 20 LYS QD 1 22 PHE HZ . . 4.120 3.082 2.054 3.833 . 0 0 "[ . 1 . 2]" 2
388 1 20 LYS QD 1 31 HIS HE1 . . 3.570 2.701 1.987 3.574 0.004 10 0 "[ . 1 . 2]" 2
389 1 22 PHE HB2 1 27 HIS QB . . 3.910 3.325 2.693 3.740 . 0 0 "[ . 1 . 2]" 2
390 1 22 PHE HB3 1 24 GLN QB . . 4.940 4.438 3.939 4.855 . 0 0 "[ . 1 . 2]" 2
391 1 22 PHE QD 1 27 HIS QB . . 3.240 2.438 1.984 2.845 . 0 0 "[ . 1 . 2]" 2
392 1 22 PHE QE 1 31 HIS QB . . 3.800 2.850 2.322 3.219 . 0 0 "[ . 1 . 2]" 2
393 1 22 PHE HZ 1 31 HIS QB . . 3.780 2.601 2.148 2.927 . 0 0 "[ . 1 . 2]" 2
394 1 24 GLN H 1 24 GLN QB . . 3.640 2.456 2.317 2.636 . 0 0 "[ . 1 . 2]" 2
395 1 24 GLN H 1 24 GLN QG . . 4.540 3.661 2.834 4.245 . 0 0 "[ . 1 . 2]" 2
396 1 24 GLN H 1 27 HIS QB . . 3.980 2.953 2.548 3.297 . 0 0 "[ . 1 . 2]" 2
397 1 24 GLN HA 1 24 GLN QE . . 4.680 3.905 2.472 4.618 . 0 0 "[ . 1 . 2]" 2
398 1 24 GLN QB 1 26 SER QB . . 5.100 3.561 2.825 4.514 . 0 0 "[ . 1 . 2]" 2
399 1 24 GLN QB 1 27 HIS H . . 3.620 2.682 2.376 2.864 . 0 0 "[ . 1 . 2]" 2
400 1 24 GLN QB 1 27 HIS QB . . 4.160 2.868 2.359 3.272 . 0 0 "[ . 1 . 2]" 2
401 1 24 GLN QB 1 27 HIS HD2 . . 4.380 3.291 2.145 4.339 . 0 0 "[ . 1 . 2]" 2
402 1 24 GLN QB 1 28 LEU H . . 5.340 4.484 4.211 4.770 . 0 0 "[ . 1 . 2]" 2
403 1 25 ASN HA 1 29 VAL QG . . 5.040 4.154 3.586 4.903 . 0 0 "[ . 1 . 2]" 2
404 1 25 ASN QD 1 29 VAL QG . . 3.720 2.741 1.815 3.715 . 0 0 "[ . 1 . 2]" 2
405 1 26 SER HA 1 29 VAL QG . . 3.520 2.494 1.848 3.175 . 0 0 "[ . 1 . 2]" 2
406 1 26 SER QB 1 29 VAL QG . . 4.550 3.934 3.132 4.482 . 0 0 "[ . 1 . 2]" 2
407 1 27 HIS H 1 27 HIS QB . . 3.540 2.314 2.187 2.551 . 0 0 "[ . 1 . 2]" 2
408 1 27 HIS QB 1 28 LEU H . . 3.600 2.552 2.311 2.801 . 0 0 "[ . 1 . 2]" 2
409 1 28 LEU H 1 29 VAL QG . . 4.530 4.026 3.604 4.367 . 0 0 "[ . 1 . 2]" 2
410 1 28 LEU H 1 31 HIS QB . . 5.340 4.628 4.230 5.263 . 0 0 "[ . 1 . 2]" 2
411 1 28 LEU HA 1 31 HIS QB . . 3.640 2.341 1.980 2.886 . 0 0 "[ . 1 . 2]" 2
412 1 28 LEU HB3 1 29 VAL QG . . 4.470 3.671 3.188 4.395 . 0 0 "[ . 1 . 2]" 2
413 1 28 LEU MD1 1 31 HIS QB . . 3.850 2.886 2.534 3.134 . 0 0 "[ . 1 . 2]" 2
414 1 28 LEU MD2 1 32 ARG QD . . 5.330 3.699 3.099 4.306 . 0 0 "[ . 1 . 2]" 2
415 1 29 VAL H 1 29 VAL QG . . 3.010 2.217 1.876 2.680 . 0 0 "[ . 1 . 2]" 2
416 1 29 VAL QG 1 30 ARG HA . . 4.110 3.225 2.880 3.570 . 0 0 "[ . 1 . 2]" 2
417 1 30 ARG H 1 31 HIS QB . . 5.340 4.281 4.075 4.511 . 0 0 "[ . 1 . 2]" 2
418 1 30 ARG HA 1 30 ARG QG . . 3.410 2.458 2.264 3.322 . 0 0 "[ . 1 . 2]" 2
419 1 31 HIS H 1 31 HIS QB . . 2.750 2.187 2.153 2.249 . 0 0 "[ . 1 . 2]" 2
420 1 31 HIS QB 1 31 HIS HD2 . . 3.420 2.735 2.680 2.817 . 0 0 "[ . 1 . 2]" 2
421 1 31 HIS QB 1 32 ARG H . . 3.400 2.537 2.400 2.735 . 0 0 "[ . 1 . 2]" 2
422 1 31 HIS QB 1 32 ARG HA . . 4.990 4.346 4.225 4.421 . 0 0 "[ . 1 . 2]" 2
423 1 31 HIS HD2 1 32 ARG QD . . 4.560 3.965 2.502 4.566 0.006 17 0 "[ . 1 . 2]" 2
424 1 31 HIS HE1 1 34 ILE QG . . 4.530 3.651 2.797 4.224 . 0 0 "[ . 1 . 2]" 2
425 1 32 ARG H 1 32 ARG QD . . 4.780 3.485 1.892 4.213 . 0 0 "[ . 1 . 2]" 2
426 1 32 ARG HA 1 32 ARG QD . . 5.040 3.537 1.999 4.348 . 0 0 "[ . 1 . 2]" 2
427 1 33 GLY QA 1 35 HIS H . . 4.550 3.535 3.308 3.819 . 0 0 "[ . 1 . 2]" 2
428 1 33 GLY QA 1 36 THR H . . 5.120 3.590 2.886 5.115 . 0 0 "[ . 1 . 2]" 2
429 1 33 GLY QA 1 36 THR MG . . 4.240 2.775 1.892 3.752 . 0 0 "[ . 1 . 2]" 2
430 1 34 ILE H 1 34 ILE QG . . 3.540 2.421 2.232 2.645 . 0 0 "[ . 1 . 2]" 2
431 1 34 ILE HA 1 34 ILE QG . . 3.690 3.308 3.299 3.399 . 0 0 "[ . 1 . 2]" 2
432 1 34 ILE QG 1 35 HIS H . . 4.720 2.273 1.950 3.476 . 0 0 "[ . 1 . 2]" 2
433 1 35 HIS H 1 35 HIS QB . . 3.380 2.469 2.321 2.595 . 0 0 "[ . 1 . 2]" 2
434 1 35 HIS QB 1 35 HIS HD2 . . 3.480 2.731 2.635 2.868 . 0 0 "[ . 1 . 2]" 2
435 1 35 HIS QB 1 36 THR H . . 4.360 2.737 2.196 3.911 . 0 0 "[ . 1 . 2]" 2
436 1 35 HIS QB 1 36 THR MG . . 4.660 3.347 2.635 4.191 . 0 0 "[ . 1 . 2]" 2
437 1 38 GLU H 1 38 GLU QB . . 3.600 2.560 2.125 3.333 . 0 0 "[ . 1 . 2]" 2
438 1 38 GLU H 1 38 GLU QG . . 4.380 3.293 2.168 4.114 . 0 0 "[ . 1 . 2]" 2
439 1 38 GLU QB 1 39 LYS H . . 4.420 3.452 2.395 4.048 . 0 0 "[ . 1 . 2]" 2
440 1 39 LYS H 1 39 LYS QB . . 3.630 2.864 2.182 3.307 . 0 0 "[ . 1 . 2]" 2
441 1 39 LYS H 1 39 LYS QG . . 4.520 3.165 1.879 4.380 . 0 0 "[ . 1 . 2]" 2
442 1 39 LYS HA 1 40 PRO QD . . 3.270 2.113 1.942 2.290 . 0 0 "[ . 1 . 2]" 2
443 1 39 LYS QB 1 39 LYS QG . . 2.360 2.054 2.007 2.088 . 0 0 "[ . 1 . 2]" 2
444 1 39 LYS QB 1 40 PRO QD . . 3.860 3.088 1.995 3.817 . 0 0 "[ . 1 . 2]" 2
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