NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508414 |
2eox   |
10208 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eox
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 15
_Distance_constraint_stats_list.Viol_total 0.267
_Distance_constraint_stats_list.Viol_max 0.002
_Distance_constraint_stats_list.Viol_rms 0.0003
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0009
_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 0.009 0.002 14 0 "[ . 1 . 2]"
1 18 CYS 0.005 0.002 12 0 "[ . 1 . 2]"
1 31 HIS 0.002 0.001 10 0 "[ . 1 . 2]"
1 35 HIS 0.004 0.002 14 0 "[ . 1 . 2]"
2 1 ZN 0.006 0.002 14 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 2.329 2.190 2.390 0.000 19 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.307 3.248 3.486 0.002 14 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.270 2.191 2.392 0.002 12 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.401 3.250 3.510 0.000 12 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.011 1.904 2.098 . 0 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 1.989 1.901 2.094 . 0 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.702 3.559 3.904 0.001 8 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.528 3.319 3.720 0.001 10 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.567 3.322 3.722 0.002 14 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.401 3.319 3.659 0.001 7 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.542 3.353 3.720 . 0 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.274 2.999 3.600 0.001 9 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 426
_Distance_constraint_stats_list.Viol_count 73
_Distance_constraint_stats_list.Viol_total 13.816
_Distance_constraint_stats_list.Viol_max 0.060
_Distance_constraint_stats_list.Viol_rms 0.0016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0095
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.102 0.056 19 0 "[ . 1 . 2]"
1 12 SER 0.103 0.056 19 0 "[ . 1 . 2]"
1 13 TYR 0.002 0.002 15 0 "[ . 1 . 2]"
1 14 ASN 0.040 0.011 8 0 "[ . 1 . 2]"
1 15 CYS 0.029 0.011 8 0 "[ . 1 . 2]"
1 16 ASN 0.084 0.047 20 0 "[ . 1 . 2]"
1 17 GLU 0.208 0.060 16 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 8 0 "[ . 1 . 2]"
1 19 GLY 0.002 0.001 8 0 "[ . 1 . 2]"
1 20 LYS 0.003 0.003 8 0 "[ . 1 . 2]"
1 21 ALA 0.004 0.002 14 0 "[ . 1 . 2]"
1 22 PHE 0.001 0.001 17 0 "[ . 1 . 2]"
1 23 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ARG 0.037 0.014 17 0 "[ . 1 . 2]"
1 25 ILE 0.001 0.001 7 0 "[ . 1 . 2]"
1 26 PHE 0.006 0.002 17 0 "[ . 1 . 2]"
1 27 HIS 0.019 0.014 17 0 "[ . 1 . 2]"
1 28 LEU 0.002 0.002 15 0 "[ . 1 . 2]"
1 29 THR 0.139 0.035 10 0 "[ . 1 . 2]"
1 30 ARG 0.027 0.010 16 0 "[ . 1 . 2]"
1 31 HIS 0.061 0.018 14 0 "[ . 1 . 2]"
1 32 GLN 0.001 0.000 9 0 "[ . 1 . 2]"
1 33 LYS 0.052 0.019 11 0 "[ . 1 . 2]"
1 34 ILE 0.063 0.018 14 0 "[ . 1 . 2]"
1 35 HIS 0.010 0.009 20 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ARG 0.023 0.023 12 0 "[ . 1 . 2]"
1 38 LYS 0.023 0.023 12 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 31 HIS H 1 32 GLN H . . 3.410 2.604 2.169 2.904 . 0 0 "[ . 1 . 2]" 2
2 1 30 ARG H 1 31 HIS H . . 3.360 2.573 2.494 2.713 . 0 0 "[ . 1 . 2]" 2
3 1 31 HIS H 1 33 LYS H . . 4.440 3.818 3.323 4.039 . 0 0 "[ . 1 . 2]" 2
4 1 29 THR HA 1 31 HIS H . . 4.750 3.984 3.526 4.421 . 0 0 "[ . 1 . 2]" 2
5 1 31 HIS H 1 31 HIS HB3 . . 3.100 2.259 2.198 2.403 . 0 0 "[ . 1 . 2]" 2
6 1 31 HIS H 1 31 HIS HB2 . . 3.320 2.988 2.721 3.269 . 0 0 "[ . 1 . 2]" 2
7 1 30 ARG HB2 1 31 HIS H . . 4.710 3.728 2.710 4.406 . 0 0 "[ . 1 . 2]" 2
8 1 30 ARG HB3 1 31 HIS H . . 4.710 4.016 3.814 4.320 . 0 0 "[ . 1 . 2]" 2
9 1 30 ARG HG3 1 31 HIS H . . 4.960 3.349 2.252 4.450 . 0 0 "[ . 1 . 2]" 2
10 1 34 ILE H 1 35 HIS H . . 3.390 2.651 1.976 2.864 . 0 0 "[ . 1 . 2]" 2
11 1 35 HIS H 1 35 HIS HD2 . . 4.500 3.625 2.513 4.369 . 0 0 "[ . 1 . 2]" 2
12 1 35 HIS H 1 35 HIS HB2 . . 3.880 2.429 2.211 2.623 . 0 0 "[ . 1 . 2]" 2
13 1 35 HIS H 1 35 HIS HB3 . . 3.880 3.617 3.513 3.769 . 0 0 "[ . 1 . 2]" 2
14 1 34 ILE HB 1 35 HIS H . . 4.420 4.101 3.982 4.429 0.009 20 0 "[ . 1 . 2]" 2
15 1 34 ILE HG13 1 35 HIS H . . 4.670 2.376 1.948 3.328 . 0 0 "[ . 1 . 2]" 2
16 1 34 ILE MG 1 35 HIS H . . 4.420 3.920 3.703 4.206 . 0 0 "[ . 1 . 2]" 2
17 1 33 LYS H 1 34 ILE H . . 3.470 2.860 2.659 2.969 . 0 0 "[ . 1 . 2]" 2
18 1 31 HIS HA 1 33 LYS H . . 4.410 3.681 3.401 4.037 . 0 0 "[ . 1 . 2]" 2
19 1 32 GLN H 1 33 LYS H . . 3.460 2.872 2.676 2.979 . 0 0 "[ . 1 . 2]" 2
20 1 32 GLN QG 1 33 LYS H . . 4.800 4.280 4.111 4.380 . 0 0 "[ . 1 . 2]" 2
21 1 33 LYS H 1 33 LYS HB3 . . 3.720 3.486 2.534 3.597 . 0 0 "[ . 1 . 2]" 2
22 1 33 LYS H 1 33 LYS HG3 . . 3.860 2.657 2.087 3.471 . 0 0 "[ . 1 . 2]" 2
23 1 33 LYS H 1 33 LYS HG2 . . 3.860 2.853 1.900 3.636 . 0 0 "[ . 1 . 2]" 2
24 1 15 CYS H 1 22 PHE H . . 4.790 4.533 4.034 4.782 . 0 0 "[ . 1 . 2]" 2
25 1 22 PHE H 1 22 PHE QD . . 3.520 2.598 1.964 3.037 . 0 0 "[ . 1 . 2]" 2
26 1 14 ASN HA 1 22 PHE H . . 4.020 2.870 2.256 3.329 . 0 0 "[ . 1 . 2]" 2
27 1 21 ALA HA 1 22 PHE H . . 2.990 2.168 2.141 2.234 . 0 0 "[ . 1 . 2]" 2
28 1 22 PHE H 1 22 PHE HB3 . . 4.070 3.774 3.691 3.902 . 0 0 "[ . 1 . 2]" 2
29 1 22 PHE H 1 22 PHE HB2 . . 3.650 2.667 2.545 2.882 . 0 0 "[ . 1 . 2]" 2
30 1 13 TYR HB2 1 22 PHE H . . 4.560 3.761 2.984 4.299 . 0 0 "[ . 1 . 2]" 2
31 1 27 HIS H 1 27 HIS QB . . 3.350 2.204 2.130 2.340 . 0 0 "[ . 1 . 2]" 2
32 1 24 ARG HB3 1 27 HIS H . . 4.230 3.072 2.253 4.025 . 0 0 "[ . 1 . 2]" 2
33 1 24 ARG HB2 1 27 HIS H . . 4.230 2.953 2.454 3.827 . 0 0 "[ . 1 . 2]" 2
34 1 24 ARG H 1 27 HIS H . . 4.940 4.671 4.302 4.954 0.014 17 0 "[ . 1 . 2]" 2
35 1 22 PHE HB3 1 24 ARG H . . 3.750 3.041 2.696 3.608 . 0 0 "[ . 1 . 2]" 2
36 1 22 PHE HB2 1 24 ARG H . . 4.160 3.972 3.453 4.161 0.001 17 0 "[ . 1 . 2]" 2
37 1 24 ARG H 1 24 ARG HG3 . . 4.330 3.666 2.789 4.325 . 0 0 "[ . 1 . 2]" 2
38 1 24 ARG H 1 24 ARG HG2 . . 4.330 3.694 2.311 4.342 0.012 17 0 "[ . 1 . 2]" 2
39 1 24 ARG H 1 27 HIS QB . . 4.420 3.363 2.848 4.186 . 0 0 "[ . 1 . 2]" 2
40 1 11 LYS QB 1 12 SER H . . 3.830 2.703 2.144 3.886 0.056 19 0 "[ . 1 . 2]" 2
41 1 34 ILE H 1 34 ILE HG13 . . 3.930 3.031 2.258 3.432 . 0 0 "[ . 1 . 2]" 2
42 1 34 ILE H 1 34 ILE HG12 . . 3.930 2.653 2.358 3.560 . 0 0 "[ . 1 . 2]" 2
43 1 11 LYS HG2 1 12 SER H . . 5.500 4.389 2.681 5.267 . 0 0 "[ . 1 . 2]" 2
44 1 11 LYS HG3 1 12 SER H . . 5.500 3.886 3.058 4.590 . 0 0 "[ . 1 . 2]" 2
45 1 11 LYS H 1 12 SER H . . 4.780 4.419 2.614 4.643 . 0 0 "[ . 1 . 2]" 2
46 1 12 SER H 1 12 SER QB . . 3.720 3.006 2.488 3.285 . 0 0 "[ . 1 . 2]" 2
47 1 31 HIS HD2 1 32 GLN H . . 4.360 2.938 2.348 3.838 . 0 0 "[ . 1 . 2]" 2
48 1 31 HIS HB3 1 32 GLN H . . 3.620 2.501 2.215 2.928 . 0 0 "[ . 1 . 2]" 2
49 1 32 GLN H 1 32 GLN QG . . 3.370 2.263 1.936 2.503 . 0 0 "[ . 1 . 2]" 2
50 1 32 GLN H 1 32 GLN HB2 . . 3.830 2.511 2.394 2.680 . 0 0 "[ . 1 . 2]" 2
51 1 28 LEU MD1 1 32 GLN H . . 4.550 3.327 2.793 3.761 . 0 0 "[ . 1 . 2]" 2
52 1 17 GLU H 1 18 CYS H . . 3.170 2.549 1.818 3.124 . 0 0 "[ . 1 . 2]" 2
53 1 18 CYS H 1 19 GLY H . . 2.920 2.106 1.815 2.347 . 0 0 "[ . 1 . 2]" 2
54 1 15 CYS HB3 1 18 CYS H . . 4.260 3.403 2.944 3.921 . 0 0 "[ . 1 . 2]" 2
55 1 18 CYS H 1 18 CYS HB2 . . 4.140 3.725 3.623 3.840 . 0 0 "[ . 1 . 2]" 2
56 1 17 GLU QB 1 18 CYS H . . 3.400 2.480 2.127 2.853 . 0 0 "[ . 1 . 2]" 2
57 1 28 LEU H 1 29 THR H . . 3.360 2.598 2.376 2.842 . 0 0 "[ . 1 . 2]" 2
58 1 25 ILE H 1 27 HIS H . . 4.890 3.942 3.445 4.759 . 0 0 "[ . 1 . 2]" 2
59 1 27 HIS H 1 29 THR H . . 5.370 4.326 3.887 4.866 . 0 0 "[ . 1 . 2]" 2
60 1 26 PHE HA 1 29 THR H . . 4.160 3.420 3.135 3.746 . 0 0 "[ . 1 . 2]" 2
61 1 29 THR H 1 29 THR HB . . 3.520 2.511 2.226 2.641 . 0 0 "[ . 1 . 2]" 2
62 1 28 LEU HB3 1 29 THR H . . 3.590 2.624 2.343 2.806 . 0 0 "[ . 1 . 2]" 2
63 1 28 LEU HG 1 29 THR H . . 4.420 3.194 2.617 3.497 . 0 0 "[ . 1 . 2]" 2
64 1 28 LEU HB2 1 29 THR H . . 4.330 3.968 3.777 4.088 . 0 0 "[ . 1 . 2]" 2
65 1 29 THR H 1 29 THR MG . . 4.530 3.548 2.629 3.768 . 0 0 "[ . 1 . 2]" 2
66 1 28 LEU MD2 1 29 THR H . . 4.280 4.042 3.639 4.262 . 0 0 "[ . 1 . 2]" 2
67 1 29 THR H 1 31 HIS H . . 4.850 3.963 3.778 4.162 . 0 0 "[ . 1 . 2]" 2
68 1 35 HIS H 1 36 THR H . . 4.280 3.192 2.322 4.154 . 0 0 "[ . 1 . 2]" 2
69 1 15 CYS H 1 19 GLY H . . 4.780 4.431 3.932 4.765 . 0 0 "[ . 1 . 2]" 2
70 1 17 GLU H 1 19 GLY H . . 4.270 3.805 2.953 4.271 0.001 8 0 "[ . 1 . 2]" 2
71 1 19 GLY H 1 20 LYS H . . 3.260 2.332 1.958 3.166 . 0 0 "[ . 1 . 2]" 2
72 1 16 ASN HA 1 19 GLY H . . 4.710 4.274 3.624 4.701 . 0 0 "[ . 1 . 2]" 2
73 1 15 CYS HB3 1 19 GLY H . . 3.870 2.744 2.403 3.104 . 0 0 "[ . 1 . 2]" 2
74 1 17 GLU QB 1 19 GLY H . . 4.510 4.317 4.035 4.509 . 0 0 "[ . 1 . 2]" 2
75 1 14 ASN H 1 15 CYS H . . 4.630 4.391 4.231 4.544 . 0 0 "[ . 1 . 2]" 2
76 1 20 LYS HG3 1 21 ALA H . . 4.780 3.649 2.249 4.779 . 0 0 "[ . 1 . 2]" 2
77 1 15 CYS H 1 21 ALA MB . . 5.500 4.690 4.458 5.095 . 0 0 "[ . 1 . 2]" 2
78 1 21 ALA H 1 21 ALA MB . . 3.020 2.314 2.092 2.643 . 0 0 "[ . 1 . 2]" 2
79 1 15 CYS H 1 20 LYS H . . 4.320 2.775 2.200 3.271 . 0 0 "[ . 1 . 2]" 2
80 1 15 CYS H 1 22 PHE QE . . 4.470 3.125 2.391 3.706 . 0 0 "[ . 1 . 2]" 2
81 1 15 CYS H 1 21 ALA HA . . 4.200 3.467 3.232 3.915 . 0 0 "[ . 1 . 2]" 2
82 1 14 ASN HB2 1 15 CYS H . . 4.290 3.556 2.241 4.142 . 0 0 "[ . 1 . 2]" 2
83 1 14 ASN HB3 1 15 CYS H . . 4.290 3.258 2.699 4.020 . 0 0 "[ . 1 . 2]" 2
84 1 20 LYS H 1 20 LYS HB3 . . 3.760 3.150 2.708 3.704 . 0 0 "[ . 1 . 2]" 2
85 1 20 LYS H 1 20 LYS HB2 . . 3.760 2.746 2.332 3.322 . 0 0 "[ . 1 . 2]" 2
86 1 20 LYS H 1 20 LYS HG2 . . 4.830 4.510 2.843 4.782 . 0 0 "[ . 1 . 2]" 2
87 1 15 CYS HB2 1 20 LYS H . . 4.040 3.703 3.377 4.043 0.003 8 0 "[ . 1 . 2]" 2
88 1 14 ASN HD21 1 21 ALA MB . . 4.540 3.204 1.883 4.493 . 0 0 "[ . 1 . 2]" 2
89 1 14 ASN HD22 1 21 ALA MB . . 4.540 3.481 1.921 4.542 0.002 14 0 "[ . 1 . 2]" 2
90 1 12 SER H 1 13 TYR H . . 4.390 4.160 3.777 4.373 . 0 0 "[ . 1 . 2]" 2
91 1 12 SER HA 1 13 TYR H . . 2.990 2.201 2.138 2.366 . 0 0 "[ . 1 . 2]" 2
92 1 13 TYR H 1 13 TYR HB2 . . 3.570 2.694 2.618 2.786 . 0 0 "[ . 1 . 2]" 2
93 1 27 HIS H 1 28 LEU H . . 3.270 2.695 2.476 2.909 . 0 0 "[ . 1 . 2]" 2
94 1 27 HIS QB 1 28 LEU H . . 3.450 2.751 2.410 3.140 . 0 0 "[ . 1 . 2]" 2
95 1 22 PHE HB3 1 28 LEU H . . 4.700 3.873 3.251 4.181 . 0 0 "[ . 1 . 2]" 2
96 1 22 PHE HB2 1 28 LEU H . . 4.570 3.918 3.395 4.380 . 0 0 "[ . 1 . 2]" 2
97 1 28 LEU H 1 28 LEU HB3 . . 3.380 2.261 2.186 2.354 . 0 0 "[ . 1 . 2]" 2
98 1 28 LEU H 1 28 LEU HG . . 4.380 4.246 4.099 4.380 . 0 0 "[ . 1 . 2]" 2
99 1 28 LEU H 1 28 LEU HB2 . . 3.480 2.846 2.663 3.023 . 0 0 "[ . 1 . 2]" 2
100 1 28 LEU H 1 28 LEU MD1 . . 4.590 4.225 4.099 4.301 . 0 0 "[ . 1 . 2]" 2
101 1 13 TYR QD 1 14 ASN H . . 4.680 4.369 4.016 4.655 . 0 0 "[ . 1 . 2]" 2
102 1 13 TYR HB3 1 14 ASN H . . 4.280 3.273 2.382 3.958 . 0 0 "[ . 1 . 2]" 2
103 1 14 ASN H 1 14 ASN HB2 . . 4.060 3.104 2.588 3.945 . 0 0 "[ . 1 . 2]" 2
104 1 13 TYR HA 1 14 ASN H . . 3.090 2.205 2.138 2.472 . 0 0 "[ . 1 . 2]" 2
105 1 16 ASN QB 1 17 GLU H . . 3.950 3.397 2.565 3.997 0.047 20 0 "[ . 1 . 2]" 2
106 1 17 GLU H 1 17 GLU HG2 . . 4.460 3.645 1.914 4.520 0.060 16 0 "[ . 1 . 2]" 2
107 1 17 GLU H 1 17 GLU HG3 . . 4.460 3.735 2.747 4.462 0.002 17 0 "[ . 1 . 2]" 2
108 1 17 GLU H 1 17 GLU QB . . 3.150 2.439 2.167 2.740 . 0 0 "[ . 1 . 2]" 2
109 1 27 HIS HA 1 30 ARG H . . 4.160 3.735 3.430 4.029 . 0 0 "[ . 1 . 2]" 2
110 1 29 THR HB 1 30 ARG H . . 3.610 2.780 2.358 3.612 0.002 18 0 "[ . 1 . 2]" 2
111 1 30 ARG H 1 30 ARG HG3 . . 4.280 2.921 1.897 3.870 . 0 0 "[ . 1 . 2]" 2
112 1 29 THR H 1 30 ARG H . . 3.490 2.758 2.619 2.900 . 0 0 "[ . 1 . 2]" 2
113 1 28 LEU H 1 30 ARG H . . 4.470 4.104 3.842 4.391 . 0 0 "[ . 1 . 2]" 2
114 1 30 ARG H 1 31 HIS HB3 . . 5.500 4.521 4.340 4.692 . 0 0 "[ . 1 . 2]" 2
115 1 30 ARG H 1 30 ARG HB2 . . 3.640 3.235 2.508 3.620 . 0 0 "[ . 1 . 2]" 2
116 1 29 THR MG 1 30 ARG H . . 4.300 3.150 1.857 3.679 . 0 0 "[ . 1 . 2]" 2
117 1 13 TYR H 1 13 TYR HB3 . . 4.030 3.697 3.561 3.796 . 0 0 "[ . 1 . 2]" 2
118 1 15 CYS HA 1 17 GLU H . . 4.490 3.710 3.195 4.055 . 0 0 "[ . 1 . 2]" 2
119 1 34 ILE HG12 1 35 HIS H . . 4.470 3.358 2.635 4.449 . 0 0 "[ . 1 . 2]" 2
120 1 34 ILE MD 1 35 HIS H . . 5.050 3.880 2.814 4.772 . 0 0 "[ . 1 . 2]" 2
121 1 15 CYS HB3 1 22 PHE QE . . 4.330 3.071 2.559 3.568 . 0 0 "[ . 1 . 2]" 2
122 1 22 PHE QE 1 28 LEU HA . . 4.120 3.551 2.998 3.949 . 0 0 "[ . 1 . 2]" 2
123 1 15 CYS HB2 1 22 PHE QE . . 3.670 2.243 2.000 2.925 . 0 0 "[ . 1 . 2]" 2
124 1 20 LYS HB3 1 22 PHE QE . . 4.210 2.575 2.029 3.404 . 0 0 "[ . 1 . 2]" 2
125 1 20 LYS HB2 1 22 PHE QE . . 4.210 3.502 2.113 4.196 . 0 0 "[ . 1 . 2]" 2
126 1 22 PHE QE 1 28 LEU MD1 . . 3.840 2.503 2.109 2.999 . 0 0 "[ . 1 . 2]" 2
127 1 25 ILE H 1 25 ILE MG . . 4.330 1.970 1.876 2.241 . 0 0 "[ . 1 . 2]" 2
128 1 25 ILE MG 1 26 PHE QD . . 4.610 2.738 1.990 3.577 . 0 0 "[ . 1 . 2]" 2
129 1 25 ILE MG 1 26 PHE HB3 . . 4.960 3.356 2.790 4.496 . 0 0 "[ . 1 . 2]" 2
130 1 22 PHE HZ 1 31 HIS HE1 . . 4.790 3.876 3.139 4.786 . 0 0 "[ . 1 . 2]" 2
131 1 40 GLY QA 1 41 PRO QD . . 3.510 1.994 1.908 2.213 . 0 0 "[ . 1 . 2]" 2
132 1 22 PHE HZ 1 31 HIS HB3 . . 4.370 3.563 2.877 4.019 . 0 0 "[ . 1 . 2]" 2
133 1 22 PHE HZ 1 31 HIS HB2 . . 3.900 3.287 2.761 3.898 . 0 0 "[ . 1 . 2]" 2
134 1 20 LYS HB3 1 22 PHE HZ . . 4.200 2.905 2.057 3.574 . 0 0 "[ . 1 . 2]" 2
135 1 20 LYS HB2 1 22 PHE HZ . . 4.200 3.691 2.876 4.177 . 0 0 "[ . 1 . 2]" 2
136 1 34 ILE H 1 34 ILE MG . . 3.460 2.051 1.842 2.498 . 0 0 "[ . 1 . 2]" 2
137 1 34 ILE HG13 1 34 ILE MG . . 3.490 3.078 2.664 3.186 . 0 0 "[ . 1 . 2]" 2
138 1 13 TYR QD 1 22 PHE HB2 . . 4.560 4.225 3.841 4.559 . 0 0 "[ . 1 . 2]" 2
139 1 22 PHE HB3 1 27 HIS QB . . 3.520 2.738 2.083 3.085 . 0 0 "[ . 1 . 2]" 2
140 1 22 PHE HB2 1 28 LEU HA . . 4.750 3.921 3.461 4.360 . 0 0 "[ . 1 . 2]" 2
141 1 32 GLN QG 1 35 HIS HD2 . . 4.030 3.306 2.554 4.030 0.000 9 0 "[ . 1 . 2]" 2
142 1 22 PHE HB3 1 28 LEU HB3 . . 4.980 4.643 4.075 4.980 . 0 0 "[ . 1 . 2]" 2
143 1 17 GLU QB 1 35 HIS HD2 . . 4.020 3.023 2.158 4.015 . 0 0 "[ . 1 . 2]" 2
144 1 22 PHE HB3 1 28 LEU HB2 . . 4.340 3.547 3.190 3.920 . 0 0 "[ . 1 . 2]" 2
145 1 22 PHE HB2 1 28 LEU HB2 . . 4.020 2.415 2.001 2.822 . 0 0 "[ . 1 . 2]" 2
146 1 22 PHE HB3 1 28 LEU MD1 . . 5.500 4.813 4.435 5.262 . 0 0 "[ . 1 . 2]" 2
147 1 22 PHE HB3 1 28 LEU MD2 . . 5.500 5.076 4.660 5.413 . 0 0 "[ . 1 . 2]" 2
148 1 22 PHE HB2 1 28 LEU MD1 . . 4.770 3.811 3.333 4.309 . 0 0 "[ . 1 . 2]" 2
149 1 37 ARG HA 1 37 ARG QD . . 4.730 3.366 2.041 4.397 . 0 0 "[ . 1 . 2]" 2
150 1 31 HIS HB3 1 31 HIS HD2 . . 3.770 2.750 2.704 2.866 . 0 0 "[ . 1 . 2]" 2
151 1 15 CYS HB2 1 31 HIS HD2 . . 3.270 2.701 2.228 3.171 . 0 0 "[ . 1 . 2]" 2
152 1 31 HIS HE1 1 34 ILE MD . . 3.440 2.280 1.976 3.011 . 0 0 "[ . 1 . 2]" 2
153 1 34 ILE H 1 34 ILE MD . . 4.280 3.962 3.716 4.070 . 0 0 "[ . 1 . 2]" 2
154 1 31 HIS HA 1 34 ILE MD . . 4.800 4.640 3.431 4.818 0.018 14 0 "[ . 1 . 2]" 2
155 1 34 ILE HA 1 34 ILE MD . . 4.250 4.010 3.520 4.151 . 0 0 "[ . 1 . 2]" 2
156 1 25 ILE HA 1 25 ILE MD . . 3.780 2.347 2.006 3.613 . 0 0 "[ . 1 . 2]" 2
157 1 13 TYR HB3 1 25 ILE MD . . 4.880 3.390 2.403 4.875 . 0 0 "[ . 1 . 2]" 2
158 1 25 ILE MD 1 28 LEU HB3 . . 4.600 3.555 2.726 4.387 . 0 0 "[ . 1 . 2]" 2
159 1 25 ILE HB 1 25 ILE MD . . 3.690 2.314 2.122 3.201 . 0 0 "[ . 1 . 2]" 2
160 1 14 ASN H 1 14 ASN HB3 . . 4.060 3.672 2.576 3.961 . 0 0 "[ . 1 . 2]" 2
161 1 28 LEU H 1 29 THR HB . . 5.000 4.788 4.496 4.999 . 0 0 "[ . 1 . 2]" 2
162 1 26 PHE HA 1 29 THR HB . . 3.630 3.020 2.765 3.543 . 0 0 "[ . 1 . 2]" 2
163 1 28 LEU HB3 1 28 LEU MD2 . . 3.370 2.267 2.123 2.389 . 0 0 "[ . 1 . 2]" 2
164 1 22 PHE HB2 1 28 LEU HB3 . . 4.560 3.754 3.148 4.152 . 0 0 "[ . 1 . 2]" 2
165 1 13 TYR HB2 1 28 LEU HB3 . . 4.860 3.849 3.455 4.266 . 0 0 "[ . 1 . 2]" 2
166 1 13 TYR HB2 1 22 PHE HB3 . . 4.770 4.631 4.071 4.770 . 0 0 "[ . 1 . 2]" 2
167 1 13 TYR HB2 1 25 ILE HA . . 4.650 3.614 2.942 4.464 . 0 0 "[ . 1 . 2]" 2
168 1 13 TYR HB3 1 28 LEU HB3 . . 4.570 3.959 3.350 4.414 . 0 0 "[ . 1 . 2]" 2
169 1 13 TYR HB3 1 28 LEU HB2 . . 4.230 3.893 3.291 4.232 0.002 15 0 "[ . 1 . 2]" 2
170 1 13 TYR HB3 1 28 LEU MD2 . . 3.360 1.929 1.784 2.121 . 0 0 "[ . 1 . 2]" 2
171 1 13 TYR HB2 1 28 LEU MD2 . . 3.770 2.614 2.119 3.051 . 0 0 "[ . 1 . 2]" 2
172 1 13 TYR HB2 1 22 PHE HB2 . . 3.990 3.111 2.584 3.337 . 0 0 "[ . 1 . 2]" 2
173 1 13 TYR HB2 1 28 LEU HB2 . . 4.260 3.428 3.162 3.690 . 0 0 "[ . 1 . 2]" 2
174 1 25 ILE MG 1 26 PHE HB2 . . 4.960 4.368 4.068 4.706 . 0 0 "[ . 1 . 2]" 2
175 1 29 THR HA 1 32 GLN H . . 4.130 3.715 3.433 4.122 . 0 0 "[ . 1 . 2]" 2
176 1 28 LEU H 1 29 THR HA . . 5.500 5.206 5.035 5.407 . 0 0 "[ . 1 . 2]" 2
177 1 29 THR HA 1 33 LYS H . . 5.500 4.946 4.571 5.494 . 0 0 "[ . 1 . 2]" 2
178 1 28 LEU HA 1 29 THR HA . . 5.080 4.818 4.783 4.866 . 0 0 "[ . 1 . 2]" 2
179 1 29 THR HA 1 32 GLN QG . . 4.020 3.407 2.706 3.948 . 0 0 "[ . 1 . 2]" 2
180 1 28 LEU HB3 1 29 THR HA . . 4.720 4.521 4.394 4.675 . 0 0 "[ . 1 . 2]" 2
181 1 28 LEU HG 1 29 THR HA . . 4.170 3.217 2.945 3.427 . 0 0 "[ . 1 . 2]" 2
182 1 29 THR HA 1 29 THR MG . . 3.130 2.554 2.299 3.165 0.035 10 0 "[ . 1 . 2]" 2
183 1 28 LEU MD1 1 29 THR HA . . 4.830 4.145 3.733 4.481 . 0 0 "[ . 1 . 2]" 2
184 1 28 LEU MD2 1 29 THR HA . . 5.270 4.527 4.207 4.741 . 0 0 "[ . 1 . 2]" 2
185 1 34 ILE H 1 34 ILE HB . . 3.800 3.630 3.571 3.801 0.001 11 0 "[ . 1 . 2]" 2
186 1 34 ILE HB 1 34 ILE MD . . 3.250 2.177 2.082 2.395 . 0 0 "[ . 1 . 2]" 2
187 1 12 SER QB 1 13 TYR H . . 3.630 3.196 2.617 3.593 . 0 0 "[ . 1 . 2]" 2
188 1 12 SER QB 1 21 ALA MB . . 4.050 3.933 3.570 4.050 0.000 18 0 "[ . 1 . 2]" 2
189 1 25 ILE HA 1 28 LEU H . . 3.960 3.663 3.298 3.915 . 0 0 "[ . 1 . 2]" 2
190 1 25 ILE HA 1 28 LEU HB3 . . 3.420 3.012 2.343 3.401 . 0 0 "[ . 1 . 2]" 2
191 1 25 ILE HA 1 28 LEU HG . . 5.500 5.133 4.523 5.499 . 0 0 "[ . 1 . 2]" 2
192 1 25 ILE HA 1 28 LEU MD2 . . 4.440 3.472 2.732 3.912 . 0 0 "[ . 1 . 2]" 2
193 1 31 HIS HD2 1 32 GLN QG . . 4.040 2.774 2.255 3.427 . 0 0 "[ . 1 . 2]" 2
194 1 34 ILE HA 1 34 ILE HG13 . . 4.220 3.566 3.553 3.598 . 0 0 "[ . 1 . 2]" 2
195 1 34 ILE HA 1 34 ILE HG12 . . 4.250 3.957 3.796 4.232 . 0 0 "[ . 1 . 2]" 2
196 1 34 ILE HA 1 34 ILE MG . . 3.310 2.438 2.309 2.524 . 0 0 "[ . 1 . 2]" 2
197 1 36 THR HA 1 36 THR MG . . 3.460 2.693 2.050 3.204 . 0 0 "[ . 1 . 2]" 2
198 1 13 TYR H 1 13 TYR QE . . 4.770 4.318 3.884 4.655 . 0 0 "[ . 1 . 2]" 2
199 1 13 TYR HA 1 13 TYR QE . . 4.910 4.743 4.631 4.844 . 0 0 "[ . 1 . 2]" 2
200 1 12 SER HA 1 13 TYR QE . . 5.130 4.632 3.887 4.923 . 0 0 "[ . 1 . 2]" 2
201 1 13 TYR QE 1 25 ILE HA . . 4.570 3.805 3.294 4.351 . 0 0 "[ . 1 . 2]" 2
202 1 11 LYS QD 1 13 TYR QE . . 4.390 3.563 2.062 4.322 . 0 0 "[ . 1 . 2]" 2
203 1 13 TYR QE 1 25 ILE HB . . 4.150 2.819 2.221 3.245 . 0 0 "[ . 1 . 2]" 2
204 1 13 TYR QE 1 28 LEU MD2 . . 5.500 4.875 4.471 5.283 . 0 0 "[ . 1 . 2]" 2
205 1 13 TYR QE 1 25 ILE MD . . 3.760 2.765 2.246 3.644 . 0 0 "[ . 1 . 2]" 2
206 1 15 CYS HB2 1 20 LYS HB3 . . 5.130 3.887 2.808 4.985 . 0 0 "[ . 1 . 2]" 2
207 1 15 CYS HB2 1 20 LYS HB2 . . 5.130 4.245 2.668 5.002 . 0 0 "[ . 1 . 2]" 2
208 1 24 ARG HB3 1 27 HIS QB . . 4.880 3.619 2.638 4.880 0.000 4 0 "[ . 1 . 2]" 2
209 1 11 LYS QB 1 13 TYR QE . . 4.880 4.297 3.706 4.878 . 0 0 "[ . 1 . 2]" 2
210 1 18 CYS H 1 18 CYS HB3 . . 4.140 3.039 2.775 3.269 . 0 0 "[ . 1 . 2]" 2
211 1 33 LYS HB2 1 34 ILE H . . 4.740 2.728 2.375 4.518 . 0 0 "[ . 1 . 2]" 2
212 1 33 LYS HB3 1 34 ILE H . . 4.740 3.610 3.308 4.480 . 0 0 "[ . 1 . 2]" 2
213 1 33 LYS H 1 33 LYS HB2 . . 3.720 2.628 2.382 3.644 . 0 0 "[ . 1 . 2]" 2
214 1 22 PHE QD 1 27 HIS QB . . 3.550 2.930 2.293 3.550 0.000 11 0 "[ . 1 . 2]" 2
215 1 22 PHE HB2 1 27 HIS QB . . 4.230 3.918 3.321 4.221 . 0 0 "[ . 1 . 2]" 2
216 1 24 ARG HB2 1 27 HIS QB . . 4.880 2.529 1.995 4.247 . 0 0 "[ . 1 . 2]" 2
217 1 32 GLN HA 1 35 HIS H . . 4.360 3.492 3.031 4.023 . 0 0 "[ . 1 . 2]" 2
218 1 31 HIS HD2 1 32 GLN HA . . 3.760 3.158 2.507 3.758 . 0 0 "[ . 1 . 2]" 2
219 1 32 GLN HA 1 35 HIS HD2 . . 3.310 2.196 2.001 2.703 . 0 0 "[ . 1 . 2]" 2
220 1 32 GLN HA 1 32 GLN QG . . 3.240 2.358 2.195 2.761 . 0 0 "[ . 1 . 2]" 2
221 1 28 LEU MD1 1 32 GLN HA . . 4.650 4.307 3.996 4.633 . 0 0 "[ . 1 . 2]" 2
222 1 32 GLN HA 1 34 ILE H . . 4.450 4.081 3.284 4.450 0.000 7 0 "[ . 1 . 2]" 2
223 1 30 ARG HA 1 33 LYS H . . 4.530 3.978 3.803 4.276 . 0 0 "[ . 1 . 2]" 2
224 1 26 PHE HA 1 26 PHE QD . . 4.170 3.437 2.388 3.728 . 0 0 "[ . 1 . 2]" 2
225 1 30 ARG HA 1 30 ARG HD2 . . 5.500 4.942 4.435 5.495 . 0 0 "[ . 1 . 2]" 2
226 1 30 ARG HA 1 30 ARG HD3 . . 5.500 4.850 4.299 5.510 0.010 16 0 "[ . 1 . 2]" 2
227 1 30 ARG HA 1 33 LYS QE . . 4.500 2.845 1.992 4.303 . 0 0 "[ . 1 . 2]" 2
228 1 30 ARG HA 1 30 ARG HG3 . . 3.980 3.500 3.164 3.694 . 0 0 "[ . 1 . 2]" 2
229 1 30 ARG HA 1 33 LYS HG2 . . 4.460 3.518 2.421 4.461 0.001 14 0 "[ . 1 . 2]" 2
230 1 26 PHE HA 1 29 THR MG . . 4.390 3.887 2.461 4.391 0.001 7 0 "[ . 1 . 2]" 2
231 1 31 HIS HA 1 34 ILE HG13 . . 5.500 5.232 3.904 5.516 0.016 9 0 "[ . 1 . 2]" 2
232 1 25 ILE MG 1 26 PHE HA . . 4.370 3.305 3.038 3.573 . 0 0 "[ . 1 . 2]" 2
233 1 31 HIS HA 1 34 ILE HG12 . . 4.660 3.749 3.305 3.966 . 0 0 "[ . 1 . 2]" 2
234 1 31 HIS HA 1 34 ILE H . . 4.700 3.779 3.325 4.304 . 0 0 "[ . 1 . 2]" 2
235 1 26 PHE HA 1 30 ARG H . . 4.610 4.191 3.770 4.611 0.001 7 0 "[ . 1 . 2]" 2
236 1 31 HIS HA 1 34 ILE MG . . 4.210 3.071 1.968 3.928 . 0 0 "[ . 1 . 2]" 2
237 1 33 LYS HA 1 35 HIS H . . 4.760 3.776 3.508 4.126 . 0 0 "[ . 1 . 2]" 2
238 1 17 GLU HA 1 17 GLU HG2 . . 3.970 3.275 2.272 3.926 . 0 0 "[ . 1 . 2]" 2
239 1 17 GLU HA 1 17 GLU HG3 . . 3.970 3.038 2.220 3.896 . 0 0 "[ . 1 . 2]" 2
240 1 33 LYS HA 1 33 LYS HG3 . . 4.160 3.372 2.784 3.811 . 0 0 "[ . 1 . 2]" 2
241 1 33 LYS HA 1 33 LYS HG2 . . 4.160 2.697 2.284 3.977 . 0 0 "[ . 1 . 2]" 2
242 1 17 GLU QB 1 18 CYS HA . . 4.920 4.166 3.927 4.616 . 0 0 "[ . 1 . 2]" 2
243 1 28 LEU HA 1 32 GLN H . . 4.790 4.057 3.672 4.640 . 0 0 "[ . 1 . 2]" 2
244 1 20 LYS HA 1 21 ALA H . . 2.760 2.266 2.140 2.511 . 0 0 "[ . 1 . 2]" 2
245 1 28 LEU HA 1 31 HIS H . . 4.230 3.449 3.270 3.628 . 0 0 "[ . 1 . 2]" 2
246 1 30 ARG H 1 30 ARG HB3 . . 3.640 2.831 2.274 3.600 . 0 0 "[ . 1 . 2]" 2
247 1 22 PHE QD 1 28 LEU HA . . 4.070 3.372 2.914 3.703 . 0 0 "[ . 1 . 2]" 2
248 1 28 LEU HA 1 31 HIS HD2 . . 4.520 4.028 3.461 4.347 . 0 0 "[ . 1 . 2]" 2
249 1 28 LEU HA 1 31 HIS HA . . 5.470 5.289 5.106 5.428 . 0 0 "[ . 1 . 2]" 2
250 1 28 LEU HA 1 31 HIS HB2 . . 3.950 3.648 3.379 3.848 . 0 0 "[ . 1 . 2]" 2
251 1 28 LEU HA 1 28 LEU HG . . 4.100 3.366 3.269 3.462 . 0 0 "[ . 1 . 2]" 2
252 1 15 CYS H 1 15 CYS HB3 . . 3.330 2.535 2.373 2.738 . 0 0 "[ . 1 . 2]" 2
253 1 15 CYS H 1 15 CYS HB2 . . 3.390 2.652 2.429 3.084 . 0 0 "[ . 1 . 2]" 2
254 1 15 CYS HB3 1 17 GLU H . . 4.940 4.068 3.320 4.793 . 0 0 "[ . 1 . 2]" 2
255 1 15 CYS HB2 1 19 GLY H . . 4.890 4.430 3.925 4.720 . 0 0 "[ . 1 . 2]" 2
256 1 15 CYS HB3 1 20 LYS H . . 3.460 2.224 1.919 2.646 . 0 0 "[ . 1 . 2]" 2
257 1 15 CYS HB2 1 22 PHE QD . . 4.770 3.843 3.288 4.196 . 0 0 "[ . 1 . 2]" 2
258 1 15 CYS HB3 1 31 HIS HD2 . . 4.020 3.877 3.467 4.021 0.001 6 0 "[ . 1 . 2]" 2
259 1 15 CYS HB3 1 20 LYS HA . . 5.500 4.741 4.402 5.170 . 0 0 "[ . 1 . 2]" 2
260 1 15 CYS HB3 1 20 LYS HB3 . . 4.590 3.460 2.527 4.466 . 0 0 "[ . 1 . 2]" 2
261 1 15 CYS HB3 1 20 LYS HB2 . . 4.590 3.320 2.271 3.869 . 0 0 "[ . 1 . 2]" 2
262 1 15 CYS HB2 1 28 LEU HB2 . . 5.500 5.080 4.663 5.470 . 0 0 "[ . 1 . 2]" 2
263 1 15 CYS HB3 1 28 LEU MD1 . . 3.980 3.709 3.440 3.978 . 0 0 "[ . 1 . 2]" 2
264 1 27 HIS HA 1 27 HIS HD2 . . 3.890 2.658 2.113 3.780 . 0 0 "[ . 1 . 2]" 2
265 1 12 SER HA 1 13 TYR HB2 . . 4.850 4.782 4.644 4.850 . 0 0 "[ . 1 . 2]" 2
266 1 38 LYS H 1 38 LYS QD . . 4.930 2.920 1.897 4.595 . 0 0 "[ . 1 . 2]" 2
267 1 20 LYS HD3 1 22 PHE HZ . . 4.810 3.023 2.002 4.712 . 0 0 "[ . 1 . 2]" 2
268 1 20 LYS HD2 1 22 PHE HZ . . 4.810 3.405 2.166 4.600 . 0 0 "[ . 1 . 2]" 2
269 1 20 LYS HA 1 20 LYS HD3 . . 4.890 4.461 3.239 4.775 . 0 0 "[ . 1 . 2]" 2
270 1 20 LYS HA 1 20 LYS HD2 . . 4.890 4.300 3.973 4.614 . 0 0 "[ . 1 . 2]" 2
271 1 27 HIS HA 1 30 ARG HD2 . . 5.220 3.439 2.572 4.833 . 0 0 "[ . 1 . 2]" 2
272 1 27 HIS HA 1 30 ARG HD3 . . 5.220 3.518 2.130 4.460 . 0 0 "[ . 1 . 2]" 2
273 1 27 HIS HA 1 30 ARG HG3 . . 4.870 3.439 3.067 3.900 . 0 0 "[ . 1 . 2]" 2
274 1 11 LYS HA 1 11 LYS QD . . 4.410 4.162 3.691 4.410 . 16 0 "[ . 1 . 2]" 2
275 1 33 LYS HA 1 33 LYS QD . . 4.150 3.545 2.080 4.169 0.019 11 0 "[ . 1 . 2]" 2
276 1 30 ARG HA 1 33 LYS QD . . 4.380 3.274 1.942 4.053 . 0 0 "[ . 1 . 2]" 2
277 1 33 LYS H 1 33 LYS QD . . 4.660 3.937 3.330 4.344 . 0 0 "[ . 1 . 2]" 2
278 1 31 HIS HB2 1 32 GLN H . . 4.420 3.871 3.697 4.161 . 0 0 "[ . 1 . 2]" 2
279 1 22 PHE QE 1 31 HIS HB2 . . 4.230 3.289 2.208 3.779 . 0 0 "[ . 1 . 2]" 2
280 1 28 LEU HB2 1 31 HIS HB3 . . 4.810 4.682 4.381 4.807 . 0 0 "[ . 1 . 2]" 2
281 1 28 LEU MD1 1 31 HIS HB2 . . 4.640 4.376 3.880 4.602 . 0 0 "[ . 1 . 2]" 2
282 1 28 LEU MD1 1 31 HIS HB3 . . 4.210 3.020 2.607 3.319 . 0 0 "[ . 1 . 2]" 2
283 1 32 GLN H 1 32 GLN HB3 . . 3.830 3.604 3.581 3.617 . 0 0 "[ . 1 . 2]" 2
284 1 37 ARG HA 1 37 ARG QG . . 3.880 2.644 2.173 3.401 . 0 0 "[ . 1 . 2]" 2
285 1 37 ARG HA 1 38 LYS QD . . 4.610 3.933 2.627 4.633 0.023 12 0 "[ . 1 . 2]" 2
286 1 11 LYS HA 1 12 SER H . . 3.160 2.391 2.145 3.206 0.046 19 0 "[ . 1 . 2]" 2
287 1 18 CYS HA 1 35 HIS HE1 . . 4.720 4.162 3.448 4.674 . 0 0 "[ . 1 . 2]" 2
288 1 18 CYS HB3 1 35 HIS HE1 . . 3.830 2.152 2.007 2.463 . 0 0 "[ . 1 . 2]" 2
289 1 18 CYS HB2 1 35 HIS HE1 . . 3.830 3.650 3.231 3.830 0.000 8 0 "[ . 1 . 2]" 2
290 1 31 HIS HE1 1 34 ILE HG13 . . 5.090 4.357 3.888 4.859 . 0 0 "[ . 1 . 2]" 2
291 1 34 ILE HG13 1 35 HIS HE1 . . 5.500 4.213 3.439 5.310 . 0 0 "[ . 1 . 2]" 2
292 1 31 HIS HE1 1 34 ILE MG . . 4.540 4.405 3.987 4.547 0.007 14 0 "[ . 1 . 2]" 2
293 1 28 LEU HG 1 32 GLN QG . . 3.980 3.003 2.418 3.468 . 0 0 "[ . 1 . 2]" 2
294 1 30 ARG HG2 1 31 HIS H . . 4.960 3.800 2.504 4.961 0.001 4 0 "[ . 1 . 2]" 2
295 1 30 ARG H 1 30 ARG HG2 . . 4.280 2.708 2.258 3.285 . 0 0 "[ . 1 . 2]" 2
296 1 27 HIS HA 1 30 ARG HG2 . . 4.870 3.053 2.000 4.874 0.004 20 0 "[ . 1 . 2]" 2
297 1 30 ARG HA 1 30 ARG HG2 . . 3.980 3.428 2.408 3.972 . 0 0 "[ . 1 . 2]" 2
298 1 14 ASN H 1 28 LEU MD2 . . 4.500 3.359 2.479 4.211 . 0 0 "[ . 1 . 2]" 2
299 1 31 HIS HE1 1 34 ILE HG12 . . 5.140 3.572 3.019 3.956 . 0 0 "[ . 1 . 2]" 2
300 1 28 LEU MD2 1 32 GLN HE21 . . 4.920 3.344 2.483 4.859 . 0 0 "[ . 1 . 2]" 2
301 1 22 PHE QD 1 28 LEU MD2 . . 4.740 3.456 2.954 4.049 . 0 0 "[ . 1 . 2]" 2
302 1 28 LEU H 1 28 LEU MD2 . . 4.650 4.164 4.029 4.231 . 0 0 "[ . 1 . 2]" 2
303 1 28 LEU MD2 1 32 GLN HE22 . . 4.920 3.709 2.879 4.630 . 0 0 "[ . 1 . 2]" 2
304 1 15 CYS HA 1 28 LEU MD2 . . 4.560 3.692 2.960 4.524 . 0 0 "[ . 1 . 2]" 2
305 1 28 LEU HB2 1 28 LEU MD2 . . 3.540 2.393 2.302 2.516 . 0 0 "[ . 1 . 2]" 2
306 1 20 LYS H 1 20 LYS HG3 . . 4.830 4.239 3.253 4.711 . 0 0 "[ . 1 . 2]" 2
307 1 20 LYS HG2 1 21 ALA H . . 4.780 3.271 1.989 4.436 . 0 0 "[ . 1 . 2]" 2
308 1 34 ILE HG13 1 35 HIS HD2 . . 5.010 3.668 2.109 4.281 . 0 0 "[ . 1 . 2]" 2
309 1 22 PHE HB2 1 28 LEU MD2 . . 4.540 3.724 3.312 4.148 . 0 0 "[ . 1 . 2]" 2
310 1 28 LEU MD2 1 32 GLN QG . . 4.850 3.910 3.406 4.263 . 0 0 "[ . 1 . 2]" 2
311 1 30 ARG HA 1 33 LYS HG3 . . 4.460 2.715 2.181 4.292 . 0 0 "[ . 1 . 2]" 2
312 1 14 ASN HA 1 22 PHE QD . . 4.450 3.031 2.255 3.887 . 0 0 "[ . 1 . 2]" 2
313 1 14 ASN HA 1 22 PHE QE . . 4.970 4.198 3.541 4.817 . 0 0 "[ . 1 . 2]" 2
314 1 14 ASN HA 1 15 CYS HA . . 4.650 4.348 4.324 4.428 . 0 0 "[ . 1 . 2]" 2
315 1 14 ASN HA 1 15 CYS HB3 . . 4.800 4.723 4.483 4.811 0.011 8 0 "[ . 1 . 2]" 2
316 1 14 ASN HA 1 15 CYS H . . 2.970 2.248 2.156 2.488 . 0 0 "[ . 1 . 2]" 2
317 1 14 ASN HA 1 21 ALA HA . . 3.230 2.119 1.999 2.449 . 0 0 "[ . 1 . 2]" 2
318 1 14 ASN HA 1 15 CYS HB2 . . 4.650 4.452 4.216 4.607 . 0 0 "[ . 1 . 2]" 2
319 1 14 ASN HA 1 21 ALA MB . . 3.950 3.581 3.090 3.929 . 0 0 "[ . 1 . 2]" 2
320 1 14 ASN HA 1 28 LEU MD1 . . 4.490 3.685 3.023 4.201 . 0 0 "[ . 1 . 2]" 2
321 1 15 CYS H 1 28 LEU MD1 . . 4.210 3.243 2.690 3.993 . 0 0 "[ . 1 . 2]" 2
322 1 22 PHE H 1 28 LEU MD1 . . 5.240 4.495 3.856 5.006 . 0 0 "[ . 1 . 2]" 2
323 1 28 LEU MD1 1 29 THR H . . 5.460 4.175 3.826 4.367 . 0 0 "[ . 1 . 2]" 2
324 1 28 LEU MD1 1 31 HIS HD2 . . 3.470 2.578 2.315 2.987 . 0 0 "[ . 1 . 2]" 2
325 1 15 CYS HA 1 28 LEU MD1 . . 3.430 2.687 2.283 3.221 . 0 0 "[ . 1 . 2]" 2
326 1 28 LEU HA 1 28 LEU MD1 . . 3.230 2.218 2.027 2.444 . 0 0 "[ . 1 . 2]" 2
327 1 13 TYR HB3 1 28 LEU MD1 . . 4.560 4.078 3.713 4.544 . 0 0 "[ . 1 . 2]" 2
328 1 15 CYS HB2 1 28 LEU MD1 . . 3.430 2.354 2.036 2.673 . 0 0 "[ . 1 . 2]" 2
329 1 28 LEU MD1 1 32 GLN QG . . 3.690 2.152 1.815 2.692 . 0 0 "[ . 1 . 2]" 2
330 1 28 LEU HB2 1 28 LEU MD1 . . 3.610 2.346 2.231 2.431 . 0 0 "[ . 1 . 2]" 2
331 1 23 THR MG 1 24 ARG H . . 4.790 3.326 1.880 4.116 . 0 0 "[ . 1 . 2]" 2
332 1 23 THR HA 1 23 THR MG . . 3.350 2.528 2.219 3.195 . 0 0 "[ . 1 . 2]" 2
333 1 21 ALA MB 1 22 PHE H . . 3.380 3.097 2.853 3.339 . 0 0 "[ . 1 . 2]" 2
334 1 29 THR MG 1 33 LYS QE . . 4.700 3.898 2.831 4.702 0.002 9 0 "[ . 1 . 2]" 2
335 1 13 TYR H 1 13 TYR QD . . 3.610 2.653 1.974 3.293 . 0 0 "[ . 1 . 2]" 2
336 1 13 TYR HA 1 13 TYR QD . . 3.460 2.806 2.390 3.153 . 0 0 "[ . 1 . 2]" 2
337 1 12 SER HA 1 13 TYR QD . . 4.180 3.859 2.986 4.180 . 0 0 "[ . 1 . 2]" 2
338 1 13 TYR QD 1 25 ILE HA . . 4.330 3.128 2.498 3.604 . 0 0 "[ . 1 . 2]" 2
339 1 13 TYR QD 1 25 ILE HB . . 4.340 3.678 3.187 4.332 . 0 0 "[ . 1 . 2]" 2
340 1 13 TYR QD 1 28 LEU MD2 . . 3.750 3.367 2.961 3.650 . 0 0 "[ . 1 . 2]" 2
341 1 13 TYR QD 1 25 ILE MD . . 3.980 2.823 2.216 3.958 . 0 0 "[ . 1 . 2]" 2
342 1 15 CYS H 1 22 PHE QD . . 4.760 3.459 2.941 3.996 . 0 0 "[ . 1 . 2]" 2
343 1 13 TYR HB2 1 22 PHE QD . . 4.890 4.130 3.537 4.501 . 0 0 "[ . 1 . 2]" 2
344 1 22 PHE QD 1 28 LEU HB3 . . 4.540 4.306 3.869 4.540 . 0 0 "[ . 1 . 2]" 2
345 1 22 PHE QD 1 28 LEU HG . . 5.500 4.842 4.353 5.340 . 0 0 "[ . 1 . 2]" 2
346 1 22 PHE QD 1 28 LEU HB2 . . 3.790 2.701 2.158 3.297 . 0 0 "[ . 1 . 2]" 2
347 1 22 PHE QD 1 28 LEU MD1 . . 3.400 2.461 1.998 3.075 . 0 0 "[ . 1 . 2]" 2
348 1 34 ILE HG13 1 35 HIS HA . . 4.490 3.400 3.036 3.960 . 0 0 "[ . 1 . 2]" 2
349 1 29 THR MG 1 30 ARG HA . . 4.560 3.382 2.774 3.792 . 0 0 "[ . 1 . 2]" 2
350 1 33 LYS HA 1 36 THR MG . . 4.270 3.279 1.964 4.232 . 0 0 "[ . 1 . 2]" 2
351 1 10 SER HA 1 11 LYS QG . . 5.060 4.275 3.508 5.036 . 0 0 "[ . 1 . 2]" 2
352 1 11 LYS HA 1 11 LYS QG . . 3.640 3.355 3.294 3.433 . 0 0 "[ . 1 . 2]" 2
353 1 11 LYS QG 1 12 SER H . . 4.660 3.553 2.599 4.308 . 0 0 "[ . 1 . 2]" 2
354 1 11 LYS QG 1 12 SER HA . . 4.610 3.647 3.066 4.519 . 0 0 "[ . 1 . 2]" 2
355 1 11 LYS QG 1 12 SER QB . . 4.800 4.617 4.242 4.798 . 0 0 "[ . 1 . 2]" 2
356 1 13 TYR QE 1 25 ILE QG . . 5.340 4.085 2.272 4.450 . 0 0 "[ . 1 . 2]" 2
357 1 14 ASN H 1 14 ASN QB . . 3.340 2.864 2.490 3.351 0.011 8 0 "[ . 1 . 2]" 2
358 1 14 ASN QB 1 15 CYS H . . 3.700 2.875 2.218 3.493 . 0 0 "[ . 1 . 2]" 2
359 1 14 ASN QB 1 19 GLY QA . . 4.660 4.243 3.696 4.607 . 0 0 "[ . 1 . 2]" 2
360 1 14 ASN QB 1 20 LYS HA . . 5.340 4.945 4.524 5.337 . 0 0 "[ . 1 . 2]" 2
361 1 14 ASN QB 1 21 ALA HA . . 4.810 2.819 1.967 3.725 . 0 0 "[ . 1 . 2]" 2
362 1 14 ASN QB 1 21 ALA MB . . 4.700 3.063 2.069 3.803 . 0 0 "[ . 1 . 2]" 2
363 1 15 CYS H 1 20 LYS QB . . 4.970 3.497 2.819 3.898 . 0 0 "[ . 1 . 2]" 2
364 1 15 CYS HB3 1 19 GLY QA . . 4.840 4.001 2.899 4.445 . 0 0 "[ . 1 . 2]" 2
365 1 15 CYS HB3 1 20 LYS QB . . 3.970 2.830 2.258 3.147 . 0 0 "[ . 1 . 2]" 2
366 1 17 GLU H 1 17 GLU QG . . 3.890 3.155 1.905 3.890 0.000 16 0 "[ . 1 . 2]" 2
367 1 17 GLU QB 1 18 CYS QB . . 4.590 3.655 3.496 4.066 . 0 0 "[ . 1 . 2]" 2
368 1 17 GLU QB 1 35 HIS QB . . 4.880 3.426 2.772 4.307 . 0 0 "[ . 1 . 2]" 2
369 1 17 GLU QG 1 35 HIS HD2 . . 4.790 3.367 2.043 4.510 . 0 0 "[ . 1 . 2]" 2
370 1 18 CYS H 1 18 CYS QB . . 3.480 2.910 2.695 3.082 . 0 0 "[ . 1 . 2]" 2
371 1 18 CYS H 1 19 GLY QA . . 4.590 3.954 3.747 4.188 . 0 0 "[ . 1 . 2]" 2
372 1 18 CYS QB 1 19 GLY H . . 3.890 3.318 3.233 3.501 . 0 0 "[ . 1 . 2]" 2
373 1 18 CYS QB 1 35 HIS HE1 . . 3.160 2.136 1.993 2.434 . 0 0 "[ . 1 . 2]" 2
374 1 20 LYS H 1 20 LYS QB . . 3.100 2.525 2.303 2.770 . 0 0 "[ . 1 . 2]" 2
375 1 20 LYS H 1 20 LYS QG . . 4.230 3.849 2.747 4.221 . 0 0 "[ . 1 . 2]" 2
376 1 20 LYS HA 1 20 LYS QG . . 3.550 2.278 2.179 2.534 . 0 0 "[ . 1 . 2]" 2
377 1 20 LYS QB 1 20 LYS QE . . 4.310 3.079 2.148 3.657 . 0 0 "[ . 1 . 2]" 2
378 1 20 LYS QB 1 21 ALA H . . 3.940 3.276 2.233 3.849 . 0 0 "[ . 1 . 2]" 2
379 1 20 LYS QB 1 22 PHE QD . . 5.340 3.892 3.427 4.170 . 0 0 "[ . 1 . 2]" 2
380 1 20 LYS QB 1 22 PHE QE . . 3.670 2.411 1.979 2.867 . 0 0 "[ . 1 . 2]" 2
381 1 20 LYS QB 1 31 HIS HE1 . . 4.860 4.155 3.448 4.855 . 0 0 "[ . 1 . 2]" 2
382 1 20 LYS QG 1 21 ALA H . . 4.100 3.007 1.882 4.074 . 0 0 "[ . 1 . 2]" 2
383 1 20 LYS QG 1 22 PHE HZ . . 4.680 3.668 2.811 4.671 . 0 0 "[ . 1 . 2]" 2
384 1 20 LYS QD 1 22 PHE QD . . 5.340 4.657 4.089 5.305 . 0 0 "[ . 1 . 2]" 2
385 1 20 LYS QD 1 22 PHE QE . . 4.430 3.142 2.475 4.107 . 0 0 "[ . 1 . 2]" 2
386 1 20 LYS QD 1 22 PHE HZ . . 4.090 2.562 1.993 4.048 . 0 0 "[ . 1 . 2]" 2
387 1 20 LYS QD 1 31 HIS HE1 . . 4.410 3.519 2.375 4.330 . 0 0 "[ . 1 . 2]" 2
388 1 20 LYS QE 1 22 PHE QE . . 5.040 3.957 2.117 5.031 . 0 0 "[ . 1 . 2]" 2
389 1 24 ARG H 1 24 ARG QB . . 3.560 2.396 2.199 2.680 . 0 0 "[ . 1 . 2]" 2
390 1 24 ARG H 1 24 ARG QD . . 4.080 3.221 1.910 4.083 0.003 8 0 "[ . 1 . 2]" 2
391 1 24 ARG QB 1 24 ARG QD . . 3.300 2.280 1.999 2.725 . 0 0 "[ . 1 . 2]" 2
392 1 24 ARG QB 1 25 ILE HA . . 5.340 4.256 4.109 4.480 . 0 0 "[ . 1 . 2]" 2
393 1 24 ARG QB 1 26 PHE HZ . . 5.290 3.801 2.719 4.478 . 0 0 "[ . 1 . 2]" 2
394 1 24 ARG QB 1 27 HIS H . . 3.610 2.590 2.197 3.392 . 0 0 "[ . 1 . 2]" 2
395 1 24 ARG QB 1 27 HIS QB . . 4.260 2.474 1.952 3.999 . 0 0 "[ . 1 . 2]" 2
396 1 24 ARG QG 1 26 PHE HZ . . 4.840 3.352 2.004 4.842 0.002 17 0 "[ . 1 . 2]" 2
397 1 24 ARG QD 1 26 PHE HZ . . 4.600 3.724 2.179 4.600 . 0 0 "[ . 1 . 2]" 2
398 1 25 ILE HA 1 25 ILE QG . . 3.690 2.729 2.275 2.929 . 0 0 "[ . 1 . 2]" 2
399 1 25 ILE MG 1 26 PHE QB . . 4.090 3.212 2.746 4.091 0.001 7 0 "[ . 1 . 2]" 2
400 1 26 PHE QB 1 27 HIS H . . 4.150 3.142 2.069 3.667 . 0 0 "[ . 1 . 2]" 2
401 1 27 HIS HA 1 30 ARG QB . . 3.800 3.547 2.935 3.800 . 3 0 "[ . 1 . 2]" 2
402 1 27 HIS HA 1 30 ARG QG . . 4.240 2.473 1.987 3.332 . 0 0 "[ . 1 . 2]" 2
403 1 27 HIS HA 1 30 ARG QD . . 4.410 2.904 2.065 3.961 . 0 0 "[ . 1 . 2]" 2
404 1 27 HIS HD2 1 30 ARG QD . . 4.980 3.183 1.981 4.875 . 0 0 "[ . 1 . 2]" 2
405 1 28 LEU HG 1 32 GLN QE . . 5.340 2.952 2.160 4.394 . 0 0 "[ . 1 . 2]" 2
406 1 28 LEU MD1 1 32 GLN QE . . 4.060 2.533 1.860 3.511 . 0 0 "[ . 1 . 2]" 2
407 1 29 THR HA 1 32 GLN QB . . 3.600 3.138 2.784 3.512 . 0 0 "[ . 1 . 2]" 2
408 1 29 THR HA 1 32 GLN QE . . 5.340 3.891 2.208 5.173 . 0 0 "[ . 1 . 2]" 2
409 1 30 ARG H 1 30 ARG QB . . 2.940 2.436 2.249 2.621 . 0 0 "[ . 1 . 2]" 2
410 1 30 ARG H 1 30 ARG QG . . 3.760 2.304 1.879 2.635 . 0 0 "[ . 1 . 2]" 2
411 1 30 ARG H 1 30 ARG QD . . 5.070 4.046 3.589 4.379 . 0 0 "[ . 1 . 2]" 2
412 1 30 ARG HA 1 30 ARG QD . . 4.720 4.286 4.020 4.523 . 0 0 "[ . 1 . 2]" 2
413 1 30 ARG HA 1 33 LYS QG . . 3.890 2.463 2.129 3.297 . 0 0 "[ . 1 . 2]" 2
414 1 30 ARG QB 1 30 ARG QD . . 3.320 2.221 2.049 2.507 . 0 0 "[ . 1 . 2]" 2
415 1 30 ARG QB 1 31 HIS H . . 3.880 3.362 2.659 3.886 0.006 15 0 "[ . 1 . 2]" 2
416 1 30 ARG QG 1 31 HIS H . . 4.210 3.092 2.163 4.109 . 0 0 "[ . 1 . 2]" 2
417 1 32 GLN H 1 32 GLN QB . . 3.180 2.465 2.360 2.612 . 0 0 "[ . 1 . 2]" 2
418 1 32 GLN HA 1 35 HIS QB . . 4.090 3.237 2.467 4.089 . 0 0 "[ . 1 . 2]" 2
419 1 32 GLN QB 1 33 LYS H . . 4.050 2.922 2.671 3.248 . 0 0 "[ . 1 . 2]" 2
420 1 33 LYS H 1 33 LYS QB . . 3.040 2.473 2.349 2.599 . 0 0 "[ . 1 . 2]" 2
421 1 33 LYS H 1 33 LYS QG . . 3.260 2.219 1.891 2.463 . 0 0 "[ . 1 . 2]" 2
422 1 33 LYS HA 1 33 LYS QG . . 3.420 2.555 2.236 3.331 . 0 0 "[ . 1 . 2]" 2
423 1 33 LYS QB 1 34 ILE H . . 4.170 2.627 2.336 4.008 . 0 0 "[ . 1 . 2]" 2
424 1 34 ILE HG13 1 35 HIS QB . . 4.960 3.718 3.528 4.099 . 0 0 "[ . 1 . 2]" 2
425 1 35 HIS H 1 35 HIS QB . . 3.280 2.393 2.189 2.576 . 0 0 "[ . 1 . 2]" 2
426 1 35 HIS QB 1 35 HIS HD2 . . 3.340 2.652 2.624 2.834 . 0 0 "[ . 1 . 2]" 2
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