NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508830 |
2yrh   |
11238 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yrh
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 155
_Distance_constraint_stats_list.Viol_total 21.211
_Distance_constraint_stats_list.Viol_max 0.028
_Distance_constraint_stats_list.Viol_rms 0.0053
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0068
_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 0.543 0.028 10 0 "[ . 1 . 2]"
1 16 CYS 0.333 0.020 19 0 "[ . 1 . 2]"
1 29 HIS 0.297 0.020 19 0 "[ . 1 . 2]"
1 33 HIS 0.183 0.015 17 0 "[ . 1 . 2]"
2 1 ZN 0.765 0.028 10 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 29 HIS NE2 2 1 ZN ZN . . 2.050 2.054 2.045 2.059 0.009 16 0 "[ . 1 . 2]" 1
2 1 33 HIS NE2 2 1 ZN ZN . . 2.050 1.947 1.940 1.957 0.010 13 0 "[ . 1 . 2]" 1
3 1 13 CYS SG 2 1 ZN ZN . 2.250 2.350 2.362 2.355 2.377 0.027 10 0 "[ . 1 . 2]" 1
4 1 16 CYS SG 2 1 ZN ZN . 2.250 2.350 2.353 2.343 2.359 0.009 10 0 "[ . 1 . 2]" 1
5 1 13 CYS CB 2 1 ZN ZN . 3.100 3.400 3.087 3.072 3.096 0.028 10 0 "[ . 1 . 2]" 1
6 1 16 CYS CB 2 1 ZN ZN . 3.100 3.400 3.377 3.244 3.405 0.005 7 0 "[ . 1 . 2]" 1
7 1 29 HIS NE2 1 33 HIS NE2 . 3.160 3.360 3.350 3.272 3.367 0.007 1 0 "[ . 1 . 2]" 1
8 1 13 CYS SG 1 29 HIS NE2 . 3.500 3.700 3.554 3.492 3.707 0.008 1 0 "[ . 1 . 2]" 1
9 1 16 CYS SG 1 29 HIS NE2 . 3.500 3.700 3.492 3.480 3.499 0.020 19 0 "[ . 1 . 2]" 1
10 1 13 CYS SG 1 33 HIS NE2 . 3.500 3.700 3.524 3.497 3.643 0.003 19 0 "[ . 1 . 2]" 1
11 1 16 CYS SG 1 33 HIS NE2 . 3.500 3.700 3.679 3.517 3.715 0.015 17 0 "[ . 1 . 2]" 1
12 1 13 CYS SG 1 16 CYS SG . 3.650 3.850 3.708 3.644 3.814 0.006 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 549
_Distance_constraint_stats_list.Viol_count 502
_Distance_constraint_stats_list.Viol_total 312.863
_Distance_constraint_stats_list.Viol_max 0.317
_Distance_constraint_stats_list.Viol_rms 0.0114
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0312
_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 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.119 0.119 20 0 "[ . 1 . 2]"
1 10 PRO 1.459 0.167 15 0 "[ . 1 . 2]"
1 11 LEU 2.644 0.167 15 0 "[ . 1 . 2]"
1 12 VAL 1.704 0.091 18 0 "[ . 1 . 2]"
1 13 CYS 0.394 0.075 12 0 "[ . 1 . 2]"
1 14 ASN 0.312 0.146 19 0 "[ . 1 . 2]"
1 15 GLU 0.436 0.146 19 0 "[ . 1 . 2]"
1 16 CYS 0.730 0.044 7 0 "[ . 1 . 2]"
1 17 GLY 0.276 0.044 7 0 "[ . 1 . 2]"
1 18 LYS 0.439 0.035 7 0 "[ . 1 . 2]"
1 19 THR 1.389 0.061 15 0 "[ . 1 . 2]"
1 20 PHE 0.625 0.060 19 0 "[ . 1 . 2]"
1 21 ARG 0.155 0.128 2 0 "[ . 1 . 2]"
1 22 GLN 0.002 0.002 7 0 "[ . 1 . 2]"
1 23 SER 0.048 0.020 14 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 CYS 0.149 0.036 17 0 "[ . 1 . 2]"
1 26 LEU 0.524 0.036 16 0 "[ . 1 . 2]"
1 27 SER 0.370 0.060 19 0 "[ . 1 . 2]"
1 28 LYS 1.454 0.317 17 0 "[ . 1 . 2]"
1 29 HIS 1.889 0.248 19 0 "[ . 1 . 2]"
1 30 GLN 1.472 0.130 12 0 "[ . 1 . 2]"
1 31 ARG 2.769 0.130 12 0 "[ . 1 . 2]"
1 32 ILE 2.260 0.106 10 0 "[ . 1 . 2]"
1 33 HIS 0.856 0.039 19 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLU 2.841 0.310 20 0 "[ . 1 . 2]"
1 37 LYS 2.288 0.310 20 0 "[ . 1 . 2]"
1 38 PRO 0.521 0.183 6 0 "[ . 1 . 2]"
1 39 SER 0.521 0.183 6 0 "[ . 1 . 2]"
1 40 GLY 0.083 0.058 18 0 "[ . 1 . 2]"
1 41 PRO 0.083 0.058 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 CYS H 1 18 LYS H . . 4.560 2.462 2.157 2.719 . 0 0 "[ . 1 . 2]" 2
2 1 13 CYS HB3 1 18 LYS H . . 3.580 2.019 1.881 2.181 . 0 0 "[ . 1 . 2]" 2
3 1 18 LYS H 1 18 LYS HB3 . . 3.840 2.773 2.453 2.862 . 0 0 "[ . 1 . 2]" 2
4 1 18 LYS H 1 18 LYS HB2 . . 3.840 2.677 2.530 3.100 . 0 0 "[ . 1 . 2]" 2
5 1 18 LYS H 1 18 LYS HG2 . . 4.640 4.571 4.266 4.641 0.001 12 0 "[ . 1 . 2]" 2
6 1 16 CYS HA 1 18 LYS H . . 5.320 5.333 5.238 5.355 0.035 7 0 "[ . 1 . 2]" 2
7 1 11 LEU H 1 12 VAL H . . 4.430 4.198 4.130 4.330 . 0 0 "[ . 1 . 2]" 2
8 1 11 LEU H 1 19 THR HA . . 4.900 4.698 4.340 4.903 0.003 10 0 "[ . 1 . 2]" 2
9 1 10 PRO HA 1 11 LEU H . . 2.580 2.379 2.301 2.461 . 0 0 "[ . 1 . 2]" 2
10 1 10 PRO HB3 1 11 LEU H . . 3.920 3.486 3.381 3.598 . 0 0 "[ . 1 . 2]" 2
11 1 10 PRO QG 1 11 LEU H . . 4.430 4.205 4.064 4.338 . 0 0 "[ . 1 . 2]" 2
12 1 10 PRO HB2 1 11 LEU H . . 3.130 2.674 2.466 2.882 . 0 0 "[ . 1 . 2]" 2
13 1 11 LEU H 1 11 LEU HB3 . . 3.740 3.690 3.655 3.731 . 0 0 "[ . 1 . 2]" 2
14 1 11 LEU H 1 11 LEU HG . . 3.250 2.641 2.214 3.386 0.136 16 0 "[ . 1 . 2]" 2
15 1 11 LEU H 1 11 LEU HB2 . . 3.740 2.635 2.488 2.726 . 0 0 "[ . 1 . 2]" 2
16 1 11 LEU H 1 19 THR MG . . 4.930 4.814 4.576 4.954 0.024 17 0 "[ . 1 . 2]" 2
17 1 11 LEU H 1 11 LEU MD2 . . 4.020 3.467 3.036 3.861 . 0 0 "[ . 1 . 2]" 2
18 1 11 LEU H 1 11 LEU MD1 . . 4.020 3.383 1.703 3.906 . 0 0 "[ . 1 . 2]" 2
19 1 11 LEU H 1 20 PHE HB2 . . 4.750 4.623 4.381 4.758 0.008 12 0 "[ . 1 . 2]" 2
20 1 24 SER QB 1 25 CYS H . . 4.590 2.858 2.345 3.498 . 0 0 "[ . 1 . 2]" 2
21 1 22 GLN QG 1 25 CYS H . . 4.900 4.315 1.918 4.760 . 0 0 "[ . 1 . 2]" 2
22 1 22 GLN QB 1 25 CYS H . . 4.020 2.680 2.235 4.020 . 17 0 "[ . 1 . 2]" 2
23 1 25 CYS H 1 26 LEU H . . 3.790 2.926 2.755 3.196 . 0 0 "[ . 1 . 2]" 2
24 1 23 SER HA 1 26 LEU H . . 4.130 3.770 3.457 4.068 . 0 0 "[ . 1 . 2]" 2
25 1 20 PHE HB3 1 26 LEU H . . 4.610 3.125 2.828 3.358 . 0 0 "[ . 1 . 2]" 2
26 1 25 CYS HB3 1 26 LEU H . . 4.560 2.733 1.997 3.284 . 0 0 "[ . 1 . 2]" 2
27 1 20 PHE HB2 1 26 LEU H . . 4.880 3.251 3.001 3.689 . 0 0 "[ . 1 . 2]" 2
28 1 26 LEU H 1 26 LEU HB3 . . 3.420 2.351 2.234 2.485 . 0 0 "[ . 1 . 2]" 2
29 1 26 LEU H 1 26 LEU HB2 . . 3.590 2.678 2.548 2.867 . 0 0 "[ . 1 . 2]" 2
30 1 26 LEU H 1 26 LEU MD2 . . 4.610 4.164 4.050 4.227 . 0 0 "[ . 1 . 2]" 2
31 1 26 LEU H 1 26 LEU MD1 . . 4.670 4.186 4.060 4.282 . 0 0 "[ . 1 . 2]" 2
32 1 11 LEU HA 1 12 VAL H . . 2.660 2.171 2.145 2.179 . 0 0 "[ . 1 . 2]" 2
33 1 12 VAL H 1 12 VAL HB . . 3.480 3.355 3.303 3.402 . 0 0 "[ . 1 . 2]" 2
34 1 12 VAL H 1 26 LEU MD2 . . 4.070 3.153 2.817 3.571 . 0 0 "[ . 1 . 2]" 2
35 1 12 VAL H 1 12 VAL MG1 . . 3.110 1.921 1.831 2.042 . 0 0 "[ . 1 . 2]" 2
36 1 12 VAL H 1 12 VAL MG2 . . 3.790 3.702 3.629 3.765 . 0 0 "[ . 1 . 2]" 2
37 1 11 LEU HG 1 12 VAL H . . 5.500 5.219 4.893 5.400 . 0 0 "[ . 1 . 2]" 2
38 1 27 SER QB 1 28 LYS H . . 3.470 2.494 2.073 3.139 . 0 0 "[ . 1 . 2]" 2
39 1 28 LYS H 1 28 LYS HG3 . . 4.940 3.751 2.389 4.623 . 0 0 "[ . 1 . 2]" 2
40 1 25 CYS HA 1 28 LYS H . . 4.460 4.084 3.819 4.451 . 0 0 "[ . 1 . 2]" 2
41 1 28 LYS H 1 28 LYS QB . . 3.000 2.263 2.121 2.467 . 0 0 "[ . 1 . 2]" 2
42 1 28 LYS H 1 28 LYS HG2 . . 4.940 3.726 2.176 4.640 . 0 0 "[ . 1 . 2]" 2
43 1 36 GLU H 1 37 LYS H . . 4.620 4.169 2.479 4.614 . 0 0 "[ . 1 . 2]" 2
44 1 35 GLY QA 1 36 GLU H . . 3.310 2.286 2.110 2.710 . 0 0 "[ . 1 . 2]" 2
45 1 36 GLU H 1 36 GLU HG3 . . 4.360 3.349 2.582 4.500 0.140 20 0 "[ . 1 . 2]" 2
46 1 36 GLU H 1 36 GLU HG2 . . 4.360 2.974 2.054 4.179 . 0 0 "[ . 1 . 2]" 2
47 1 36 GLU H 1 36 GLU HB2 . . 3.970 3.022 2.223 3.883 . 0 0 "[ . 1 . 2]" 2
48 1 36 GLU H 1 36 GLU HB3 . . 3.970 3.220 2.327 3.615 . 0 0 "[ . 1 . 2]" 2
49 1 14 ASN H 1 15 GLU H . . 4.240 2.601 2.488 2.659 . 0 0 "[ . 1 . 2]" 2
50 1 13 CYS HA 1 15 GLU H . . 4.090 3.390 3.307 3.502 . 0 0 "[ . 1 . 2]" 2
51 1 13 CYS HB3 1 15 GLU H . . 4.370 3.602 3.373 4.040 . 0 0 "[ . 1 . 2]" 2
52 1 14 ASN QB 1 15 GLU H . . 3.490 3.346 3.156 3.636 0.146 19 0 "[ . 1 . 2]" 2
53 1 15 GLU H 1 15 GLU HG3 . . 3.830 3.139 2.257 3.917 0.087 7 0 "[ . 1 . 2]" 2
54 1 15 GLU H 1 15 GLU HG2 . . 3.830 2.534 1.886 3.721 . 0 0 "[ . 1 . 2]" 2
55 1 15 GLU H 1 15 GLU QB . . 2.820 2.559 2.425 2.662 . 0 0 "[ . 1 . 2]" 2
56 1 29 HIS H 1 30 GLN H . . 3.230 2.203 2.189 2.218 . 0 0 "[ . 1 . 2]" 2
57 1 29 HIS H 1 31 ARG H . . 4.760 3.847 3.755 3.927 . 0 0 "[ . 1 . 2]" 2
58 1 25 CYS HA 1 29 HIS H . . 4.680 4.649 4.452 4.716 0.036 17 0 "[ . 1 . 2]" 2
59 1 29 HIS H 1 29 HIS HB3 . . 3.040 2.246 2.232 2.257 . 0 0 "[ . 1 . 2]" 2
60 1 29 HIS H 1 29 HIS HB2 . . 3.220 3.202 3.176 3.230 0.010 20 0 "[ . 1 . 2]" 2
61 1 28 LYS QB 1 29 HIS H . . 3.270 3.175 2.975 3.518 0.248 19 0 "[ . 1 . 2]" 2
62 1 26 LEU MD1 1 29 HIS H . . 5.070 4.540 4.197 4.788 . 0 0 "[ . 1 . 2]" 2
63 1 29 HIS H 1 29 HIS HD2 . . 4.890 4.212 4.156 4.259 . 0 0 "[ . 1 . 2]" 2
64 1 26 LEU HA 1 29 HIS H . . 3.670 3.653 3.563 3.681 0.011 8 0 "[ . 1 . 2]" 2
65 1 20 PHE H 1 20 PHE HB3 . . 4.040 3.833 3.767 3.940 . 0 0 "[ . 1 . 2]" 2
66 1 11 LEU HB2 1 20 PHE H . . 4.740 3.287 3.022 3.591 . 0 0 "[ . 1 . 2]" 2
67 1 20 PHE H 1 20 PHE QE . . 5.320 5.044 4.853 5.219 . 0 0 "[ . 1 . 2]" 2
68 1 20 PHE H 1 20 PHE QD . . 3.420 2.980 2.683 3.303 . 0 0 "[ . 1 . 2]" 2
69 1 19 THR HA 1 20 PHE H . . 2.820 2.295 2.180 2.373 . 0 0 "[ . 1 . 2]" 2
70 1 12 VAL HA 1 20 PHE H . . 4.120 3.436 3.280 3.639 . 0 0 "[ . 1 . 2]" 2
71 1 19 THR HB 1 20 PHE H . . 3.370 2.680 2.462 3.083 . 0 0 "[ . 1 . 2]" 2
72 1 20 PHE H 1 20 PHE HB2 . . 3.470 2.738 2.617 2.929 . 0 0 "[ . 1 . 2]" 2
73 1 10 PRO HB2 1 20 PHE H . . 4.240 4.070 3.772 4.252 0.012 1 0 "[ . 1 . 2]" 2
74 1 11 LEU HB3 1 20 PHE H . . 4.740 4.625 4.386 4.769 0.029 19 0 "[ . 1 . 2]" 2
75 1 19 THR MG 1 20 PHE H . . 4.020 3.814 3.670 4.009 . 0 0 "[ . 1 . 2]" 2
76 1 12 VAL MG1 1 20 PHE H . . 5.090 4.958 4.754 5.086 . 0 0 "[ . 1 . 2]" 2
77 1 29 HIS HA 1 31 ARG H . . 4.260 3.985 3.542 4.123 . 0 0 "[ . 1 . 2]" 2
78 1 28 LYS HA 1 31 ARG H . . 3.990 3.986 3.931 4.106 0.116 19 0 "[ . 1 . 2]" 2
79 1 30 GLN HB3 1 31 ARG H . . 4.210 3.736 3.548 3.958 . 0 0 "[ . 1 . 2]" 2
80 1 31 ARG H 1 31 ARG HB3 . . 3.300 2.647 2.536 2.723 . 0 0 "[ . 1 . 2]" 2
81 1 31 ARG H 1 31 ARG HG2 . . 3.230 2.240 1.963 2.548 . 0 0 "[ . 1 . 2]" 2
82 1 30 GLN H 1 31 ARG H . . 3.190 2.704 2.598 2.754 . 0 0 "[ . 1 . 2]" 2
83 1 31 ARG H 1 31 ARG QD . . 4.280 4.045 3.925 4.313 0.033 19 0 "[ . 1 . 2]" 2
84 1 30 GLN HB2 1 31 ARG H . . 3.860 2.854 2.713 3.338 . 0 0 "[ . 1 . 2]" 2
85 1 31 ARG H 1 31 ARG HG3 . . 3.950 2.777 2.539 3.321 . 0 0 "[ . 1 . 2]" 2
86 1 30 GLN QG 1 31 ARG H . . 4.930 4.186 4.026 4.562 . 0 0 "[ . 1 . 2]" 2
87 1 33 HIS H 1 34 SER H . . 3.670 2.376 2.272 2.505 . 0 0 "[ . 1 . 2]" 2
88 1 30 GLN HA 1 33 HIS H . . 3.940 3.456 3.345 3.973 0.033 19 0 "[ . 1 . 2]" 2
89 1 33 HIS H 1 33 HIS HB2 . . 3.410 2.577 2.550 2.614 . 0 0 "[ . 1 . 2]" 2
90 1 32 ILE HB 1 33 HIS H . . 4.330 4.008 3.957 4.147 . 0 0 "[ . 1 . 2]" 2
91 1 32 ILE MG 1 33 HIS H . . 4.080 3.681 3.655 3.707 . 0 0 "[ . 1 . 2]" 2
92 1 33 HIS H 1 33 HIS HD2 . . 4.130 3.143 3.032 3.316 . 0 0 "[ . 1 . 2]" 2
93 1 31 ARG HA 1 33 HIS H . . 4.500 4.020 3.794 4.086 . 0 0 "[ . 1 . 2]" 2
94 1 33 HIS H 1 33 HIS HB3 . . 3.860 3.652 3.641 3.667 . 0 0 "[ . 1 . 2]" 2
95 1 32 ILE HG12 1 33 HIS H . . 4.650 2.302 2.151 2.506 . 0 0 "[ . 1 . 2]" 2
96 1 32 ILE HG13 1 33 HIS H . . 4.560 2.621 2.433 2.856 . 0 0 "[ . 1 . 2]" 2
97 1 31 ARG H 1 32 ILE H . . 3.220 2.719 2.317 2.789 . 0 0 "[ . 1 . 2]" 2
98 1 32 ILE H 1 33 HIS H . . 3.210 2.575 2.475 2.640 . 0 0 "[ . 1 . 2]" 2
99 1 29 HIS HA 1 32 ILE H . . 4.190 3.781 3.435 3.860 . 0 0 "[ . 1 . 2]" 2
100 1 30 GLN HA 1 32 ILE H . . 4.130 3.543 3.493 3.689 . 0 0 "[ . 1 . 2]" 2
101 1 32 ILE H 1 33 HIS HB2 . . 5.220 4.962 4.830 5.032 . 0 0 "[ . 1 . 2]" 2
102 1 31 ARG HB3 1 32 ILE H . . 4.230 4.228 4.157 4.276 0.046 9 0 "[ . 1 . 2]" 2
103 1 31 ARG HB2 1 32 ILE H . . 4.660 3.957 3.856 4.328 . 0 0 "[ . 1 . 2]" 2
104 1 31 ARG HG2 1 32 ILE H . . 4.930 3.553 3.011 3.725 . 0 0 "[ . 1 . 2]" 2
105 1 31 ARG HG3 1 32 ILE H . . 4.070 2.484 2.316 3.173 . 0 0 "[ . 1 . 2]" 2
106 1 32 ILE H 1 32 ILE HG12 . . 3.390 2.462 2.407 2.560 . 0 0 "[ . 1 . 2]" 2
107 1 32 ILE H 1 32 ILE HG13 . . 3.680 3.645 3.577 3.700 0.020 19 0 "[ . 1 . 2]" 2
108 1 32 ILE H 1 32 ILE MD . . 3.940 3.735 3.596 3.839 . 0 0 "[ . 1 . 2]" 2
109 1 32 ILE H 1 32 ILE MG . . 3.120 1.841 1.822 1.856 . 0 0 "[ . 1 . 2]" 2
110 1 30 GLN H 1 32 ILE H . . 4.620 4.199 4.129 4.265 . 0 0 "[ . 1 . 2]" 2
111 1 28 LYS H 1 30 GLN H . . 4.510 4.299 4.082 4.366 . 0 0 "[ . 1 . 2]" 2
112 1 29 HIS HD2 1 30 GLN H . . 3.970 2.977 2.844 3.220 . 0 0 "[ . 1 . 2]" 2
113 1 27 SER HA 1 30 GLN H . . 3.950 3.127 2.938 3.249 . 0 0 "[ . 1 . 2]" 2
114 1 28 LYS HA 1 30 GLN H . . 4.510 4.506 4.416 4.552 0.042 11 0 "[ . 1 . 2]" 2
115 1 29 HIS HB3 1 30 GLN H . . 3.440 2.946 2.899 3.098 . 0 0 "[ . 1 . 2]" 2
116 1 29 HIS HB2 1 30 GLN H . . 4.200 4.165 4.139 4.256 0.056 17 0 "[ . 1 . 2]" 2
117 1 30 GLN H 1 30 GLN QG . . 3.070 2.377 2.222 2.920 . 0 0 "[ . 1 . 2]" 2
118 1 30 GLN H 1 30 GLN HB2 . . 3.100 2.434 2.170 2.543 . 0 0 "[ . 1 . 2]" 2
119 1 30 GLN H 1 30 GLN HB3 . . 3.710 3.575 3.480 3.590 . 0 0 "[ . 1 . 2]" 2
120 1 30 GLN H 1 31 ARG HB3 . . 5.160 5.166 4.684 5.290 0.130 12 0 "[ . 1 . 2]" 2
121 1 28 LYS QB 1 30 GLN H . . 5.110 5.007 4.837 5.104 . 0 0 "[ . 1 . 2]" 2
122 1 30 GLN H 1 31 ARG HG2 . . 5.500 4.093 3.804 4.485 . 0 0 "[ . 1 . 2]" 2
123 1 26 LEU MD1 1 30 GLN H . . 4.190 3.951 3.672 4.196 0.006 7 0 "[ . 1 . 2]" 2
124 1 27 SER H 1 29 HIS H . . 4.340 3.870 3.798 3.981 . 0 0 "[ . 1 . 2]" 2
125 1 27 SER H 1 28 LYS H . . 3.350 2.968 2.818 3.180 . 0 0 "[ . 1 . 2]" 2
126 1 26 LEU H 1 27 SER H . . 3.250 2.900 2.613 3.110 . 0 0 "[ . 1 . 2]" 2
127 1 27 SER H 1 27 SER QB . . 2.880 2.366 2.193 2.779 . 0 0 "[ . 1 . 2]" 2
128 1 26 LEU HB3 1 27 SER H . . 3.140 2.367 2.190 2.577 . 0 0 "[ . 1 . 2]" 2
129 1 26 LEU HG 1 27 SER H . . 4.070 3.063 2.862 3.424 . 0 0 "[ . 1 . 2]" 2
130 1 26 LEU HB2 1 27 SER H . . 4.050 3.803 3.683 3.935 . 0 0 "[ . 1 . 2]" 2
131 1 26 LEU MD2 1 27 SER H . . 4.280 3.697 3.405 4.283 0.003 5 0 "[ . 1 . 2]" 2
132 1 26 LEU MD1 1 27 SER H . . 4.250 4.177 4.022 4.269 0.019 20 0 "[ . 1 . 2]" 2
133 1 34 SER H 1 34 SER HB2 . . 4.170 2.850 2.189 3.899 . 0 0 "[ . 1 . 2]" 2
134 1 34 SER H 1 34 SER HB3 . . 4.170 2.979 2.268 3.930 . 0 0 "[ . 1 . 2]" 2
135 1 33 HIS HB2 1 34 SER H . . 4.600 2.477 2.253 2.895 . 0 0 "[ . 1 . 2]" 2
136 1 21 ARG H 1 22 GLN H . . 4.030 2.412 2.078 2.754 . 0 0 "[ . 1 . 2]" 2
137 1 20 PHE HB3 1 22 GLN H . . 4.700 3.146 2.494 3.543 . 0 0 "[ . 1 . 2]" 2
138 1 13 CYS HA 1 16 CYS H . . 4.980 4.522 4.409 4.617 . 0 0 "[ . 1 . 2]" 2
139 1 15 GLU H 1 16 CYS H . . 2.920 2.390 2.270 2.571 . 0 0 "[ . 1 . 2]" 2
140 1 16 CYS H 1 17 GLY H . . 2.550 1.985 1.946 2.070 . 0 0 "[ . 1 . 2]" 2
141 1 16 CYS H 1 33 HIS HD2 . . 4.830 4.587 4.317 4.832 0.002 17 0 "[ . 1 . 2]" 2
142 1 14 ASN HA 1 16 CYS H . . 4.800 4.511 4.331 4.779 . 0 0 "[ . 1 . 2]" 2
143 1 16 CYS H 1 16 CYS HB2 . . 3.930 3.750 3.718 3.778 . 0 0 "[ . 1 . 2]" 2
144 1 13 CYS HB3 1 16 CYS H . . 3.590 2.787 2.547 3.135 . 0 0 "[ . 1 . 2]" 2
145 1 16 CYS H 1 16 CYS HB3 . . 3.410 3.014 2.891 3.069 . 0 0 "[ . 1 . 2]" 2
146 1 15 GLU HG3 1 16 CYS H . . 4.980 4.400 3.833 4.984 0.004 7 0 "[ . 1 . 2]" 2
147 1 15 GLU HG2 1 16 CYS H . . 4.980 4.266 3.872 4.800 . 0 0 "[ . 1 . 2]" 2
148 1 15 GLU QB 1 16 CYS H . . 3.140 2.475 2.311 2.547 . 0 0 "[ . 1 . 2]" 2
149 1 14 ASN HA 1 17 GLY H . . 4.530 4.237 4.011 4.419 . 0 0 "[ . 1 . 2]" 2
150 1 17 GLY H 1 17 GLY HA2 . . 2.660 2.394 2.357 2.415 . 0 0 "[ . 1 . 2]" 2
151 1 13 CYS HB3 1 17 GLY H . . 3.480 2.252 1.937 2.532 . 0 0 "[ . 1 . 2]" 2
152 1 13 CYS HB2 1 17 GLY H . . 4.210 3.980 3.679 4.225 0.015 17 0 "[ . 1 . 2]" 2
153 1 16 CYS HB3 1 17 GLY H . . 4.570 3.946 3.872 3.982 . 0 0 "[ . 1 . 2]" 2
154 1 15 GLU QB 1 17 GLY H . . 4.390 4.284 4.161 4.326 . 0 0 "[ . 1 . 2]" 2
155 1 17 GLY H 1 26 LEU MD1 . . 5.290 5.197 5.079 5.300 0.010 12 0 "[ . 1 . 2]" 2
156 1 12 VAL MG2 1 17 GLY H . . 3.950 3.403 3.322 3.496 . 0 0 "[ . 1 . 2]" 2
157 1 13 CYS H 1 17 GLY H . . 4.510 3.841 3.647 4.064 . 0 0 "[ . 1 . 2]" 2
158 1 12 VAL H 1 13 CYS H . . 4.690 4.447 4.333 4.507 . 0 0 "[ . 1 . 2]" 2
159 1 13 CYS H 1 20 PHE QD . . 4.710 3.493 3.179 3.660 . 0 0 "[ . 1 . 2]" 2
160 1 13 CYS H 1 19 THR HA . . 3.950 3.712 3.640 3.778 . 0 0 "[ . 1 . 2]" 2
161 1 13 CYS H 1 13 CYS HB3 . . 3.100 2.560 2.404 2.651 . 0 0 "[ . 1 . 2]" 2
162 1 12 VAL HB 1 13 CYS H . . 4.540 3.797 3.697 4.054 . 0 0 "[ . 1 . 2]" 2
163 1 13 CYS H 1 26 LEU MD1 . . 3.520 2.587 2.401 2.861 . 0 0 "[ . 1 . 2]" 2
164 1 13 CYS H 1 20 PHE QE . . 4.180 2.960 2.635 3.305 . 0 0 "[ . 1 . 2]" 2
165 1 12 VAL HA 1 13 CYS H . . 2.860 2.221 2.152 2.265 . 0 0 "[ . 1 . 2]" 2
166 1 13 CYS H 1 13 CYS HB2 . . 3.220 2.525 2.434 2.680 . 0 0 "[ . 1 . 2]" 2
167 1 26 LEU MD2 1 30 GLN HE22 . . 4.680 3.995 3.310 4.650 . 0 0 "[ . 1 . 2]" 2
168 1 26 LEU MD1 1 30 GLN HE22 . . 4.600 3.565 3.182 3.992 . 0 0 "[ . 1 . 2]" 2
169 1 26 LEU MD1 1 30 GLN HE21 . . 4.600 2.498 1.927 2.940 . 0 0 "[ . 1 . 2]" 2
170 1 18 LYS HA 1 19 THR H . . 2.650 2.141 2.139 2.148 . 0 0 "[ . 1 . 2]" 2
171 1 19 THR H 1 19 THR HB . . 3.710 3.636 3.622 3.654 . 0 0 "[ . 1 . 2]" 2
172 1 18 LYS HG3 1 19 THR H . . 3.770 3.642 3.026 3.775 0.005 15 0 "[ . 1 . 2]" 2
173 1 18 LYS HB2 1 19 THR H . . 4.540 4.427 4.150 4.476 . 0 0 "[ . 1 . 2]" 2
174 1 18 LYS HG2 1 19 THR H . . 3.770 3.214 3.023 3.387 . 0 0 "[ . 1 . 2]" 2
175 1 36 GLU HA 1 37 LYS H . . 2.830 2.521 2.219 3.130 0.300 20 0 "[ . 1 . 2]" 2
176 1 36 GLU HB2 1 37 LYS H . . 4.250 3.281 2.186 4.560 0.310 20 0 "[ . 1 . 2]" 2
177 1 36 GLU HB3 1 37 LYS H . . 4.250 3.460 2.204 4.368 0.118 19 0 "[ . 1 . 2]" 2
178 1 37 LYS H 1 37 LYS HB2 . . 3.780 2.836 2.176 3.684 . 0 0 "[ . 1 . 2]" 2
179 1 37 LYS H 1 37 LYS HB3 . . 3.780 3.090 2.399 3.601 . 0 0 "[ . 1 . 2]" 2
180 1 37 LYS H 1 37 LYS QG . . 4.130 2.792 1.905 4.080 . 0 0 "[ . 1 . 2]" 2
181 1 11 LEU H 1 19 THR HB . . 4.990 4.432 4.120 4.725 . 0 0 "[ . 1 . 2]" 2
182 1 11 LEU H 1 26 LEU MD2 . . 4.950 4.596 4.282 4.940 . 0 0 "[ . 1 . 2]" 2
183 1 12 VAL H 1 19 THR HA . . 5.020 4.185 4.126 4.253 . 0 0 "[ . 1 . 2]" 2
184 1 12 VAL H 1 19 THR MG . . 5.060 4.500 4.269 4.694 . 0 0 "[ . 1 . 2]" 2
185 1 13 CYS H 1 17 GLY HA2 . . 4.860 3.897 3.455 4.289 . 0 0 "[ . 1 . 2]" 2
186 1 13 CYS H 1 29 HIS HD2 . . 5.480 5.113 4.841 5.292 . 0 0 "[ . 1 . 2]" 2
187 1 17 GLY H 1 18 LYS H . . 3.310 2.217 2.115 2.356 . 0 0 "[ . 1 . 2]" 2
188 1 12 VAL MG1 1 19 THR H . . 5.280 5.240 5.076 5.308 0.028 9 0 "[ . 1 . 2]" 2
189 1 11 LEU HA 1 20 PHE H . . 5.500 4.784 4.641 4.893 . 0 0 "[ . 1 . 2]" 2
190 1 20 PHE H 1 21 ARG HA . . 5.500 4.852 4.680 5.013 . 0 0 "[ . 1 . 2]" 2
191 1 26 LEU H 1 28 LYS H . . 5.180 4.507 4.222 4.743 . 0 0 "[ . 1 . 2]" 2
192 1 26 LEU H 1 26 LEU HG . . 5.200 4.370 4.228 4.471 . 0 0 "[ . 1 . 2]" 2
193 1 25 CYS H 1 27 SER H . . 4.940 4.408 4.026 4.815 . 0 0 "[ . 1 . 2]" 2
194 1 27 SER H 1 30 GLN HB2 . . 5.430 5.240 4.474 5.436 0.006 11 0 "[ . 1 . 2]" 2
195 1 20 PHE HB2 1 27 SER H . . 5.480 5.496 5.471 5.540 0.060 19 0 "[ . 1 . 2]" 2
196 1 28 LYS H 1 29 HIS HB3 . . 4.930 4.662 4.520 4.843 . 0 0 "[ . 1 . 2]" 2
197 1 28 LYS H 1 28 LYS QE . . 5.070 4.626 3.700 5.110 0.040 19 0 "[ . 1 . 2]" 2
198 1 28 LYS H 1 28 LYS QD . . 4.930 4.152 3.380 4.537 . 0 0 "[ . 1 . 2]" 2
199 1 29 HIS H 1 30 GLN QG . . 4.980 3.924 3.694 4.508 . 0 0 "[ . 1 . 2]" 2
200 1 26 LEU HG 1 30 GLN H . . 5.000 4.230 4.075 4.481 . 0 0 "[ . 1 . 2]" 2
201 1 31 ARG H 1 32 ILE HG12 . . 5.220 4.620 4.477 4.668 . 0 0 "[ . 1 . 2]" 2
202 1 32 ILE MD 1 33 HIS H . . 4.830 3.852 3.776 4.048 . 0 0 "[ . 1 . 2]" 2
203 1 31 ARG HB2 1 33 HIS H . . 5.500 5.514 5.485 5.537 0.037 19 0 "[ . 1 . 2]" 2
204 1 36 GLU HG3 1 37 LYS H . . 4.970 4.295 3.207 5.063 0.093 13 0 "[ . 1 . 2]" 2
205 1 36 GLU HG2 1 37 LYS H . . 4.970 4.457 3.456 5.083 0.113 11 0 "[ . 1 . 2]" 2
206 1 15 GLU H 1 17 GLY H . . 3.750 3.509 3.237 3.756 0.006 17 0 "[ . 1 . 2]" 2
207 1 12 VAL MG2 1 17 GLY HA3 . . 3.730 3.248 3.015 3.373 . 0 0 "[ . 1 . 2]" 2
208 1 12 VAL MG2 1 17 GLY HA2 . . 3.320 2.099 1.883 2.226 . 0 0 "[ . 1 . 2]" 2
209 1 40 GLY HA2 1 41 PRO QD . . 3.130 2.484 1.888 3.188 0.058 18 0 "[ . 1 . 2]" 2
210 1 40 GLY HA3 1 41 PRO QD . . 3.130 2.245 1.860 3.006 . 0 0 "[ . 1 . 2]" 2
211 1 11 LEU HB3 1 20 PHE HB2 . . 4.490 3.870 3.483 4.212 . 0 0 "[ . 1 . 2]" 2
212 1 11 LEU HB2 1 20 PHE HB2 . . 4.490 2.726 2.409 3.012 . 0 0 "[ . 1 . 2]" 2
213 1 20 PHE HB2 1 26 LEU HB2 . . 4.180 2.198 1.995 2.498 . 0 0 "[ . 1 . 2]" 2
214 1 20 PHE HB2 1 26 LEU MD1 . . 4.550 3.660 3.221 3.913 . 0 0 "[ . 1 . 2]" 2
215 1 28 LYS HA 1 31 ARG QD . . 3.700 3.343 2.993 3.726 0.026 17 0 "[ . 1 . 2]" 2
216 1 31 ARG HB2 1 31 ARG QD . . 3.320 2.366 2.040 2.707 . 0 0 "[ . 1 . 2]" 2
217 1 32 ILE MD 1 33 HIS HE1 . . 3.850 2.665 2.549 2.947 . 0 0 "[ . 1 . 2]" 2
218 1 32 ILE HA 1 32 ILE MD . . 4.310 4.159 4.138 4.173 . 0 0 "[ . 1 . 2]" 2
219 1 32 ILE HB 1 32 ILE MD . . 3.230 2.427 2.379 2.475 . 0 0 "[ . 1 . 2]" 2
220 1 11 LEU HB3 1 26 LEU MD2 . . 4.170 1.820 1.765 1.951 . 0 0 "[ . 1 . 2]" 2
221 1 11 LEU HB2 1 26 LEU MD2 . . 4.170 2.902 2.479 3.312 . 0 0 "[ . 1 . 2]" 2
222 1 10 PRO HB3 1 19 THR HB . . 4.400 4.343 3.939 4.427 0.027 13 0 "[ . 1 . 2]" 2
223 1 12 VAL MG1 1 19 THR HB . . 4.560 4.595 4.578 4.621 0.061 15 0 "[ . 1 . 2]" 2
224 1 10 PRO QG 1 19 THR HB . . 4.530 4.377 4.034 4.533 0.003 11 0 "[ . 1 . 2]" 2
225 1 10 PRO HB2 1 19 THR HB . . 3.830 3.238 2.891 3.371 . 0 0 "[ . 1 . 2]" 2
226 1 26 LEU HB2 1 26 LEU MD2 . . 3.570 2.472 2.228 2.584 . 0 0 "[ . 1 . 2]" 2
227 1 26 LEU HB2 1 26 LEU MD1 . . 3.650 2.324 2.176 2.476 . 0 0 "[ . 1 . 2]" 2
228 1 32 ILE H 1 32 ILE HB . . 3.640 3.599 3.592 3.604 . 0 0 "[ . 1 . 2]" 2
229 1 36 GLU HA 1 36 GLU HG3 . . 4.030 3.464 2.368 4.166 0.136 4 0 "[ . 1 . 2]" 2
230 1 29 HIS HD2 1 30 GLN QG . . 3.820 2.493 2.401 2.645 . 0 0 "[ . 1 . 2]" 2
231 1 30 GLN QG 1 33 HIS HD2 . . 4.260 3.798 3.475 4.238 . 0 0 "[ . 1 . 2]" 2
232 1 27 SER HA 1 30 GLN QG . . 4.300 2.532 2.093 2.911 . 0 0 "[ . 1 . 2]" 2
233 1 26 LEU HG 1 30 GLN QG . . 4.080 2.446 1.985 2.711 . 0 0 "[ . 1 . 2]" 2
234 1 32 ILE HA 1 32 ILE HB . . 2.980 2.340 2.315 2.350 . 0 0 "[ . 1 . 2]" 2
235 1 32 ILE HA 1 32 ILE HG12 . . 3.840 3.762 3.710 3.808 . 0 0 "[ . 1 . 2]" 2
236 1 32 ILE HA 1 32 ILE HG13 . . 4.020 3.615 3.566 3.670 . 0 0 "[ . 1 . 2]" 2
237 1 32 ILE HA 1 32 ILE MG . . 3.070 2.548 2.534 2.587 . 0 0 "[ . 1 . 2]" 2
238 1 38 PRO HA 1 39 SER H . . 3.040 2.494 2.180 3.223 0.183 6 0 "[ . 1 . 2]" 2
239 1 10 PRO HA 1 11 LEU HG . . 4.280 3.703 3.399 4.447 0.167 15 0 "[ . 1 . 2]" 2
240 1 22 GLN QB 1 22 GLN QG . . 2.490 2.050 1.995 2.086 . 0 0 "[ . 1 . 2]" 2
241 1 18 LYS HB3 1 19 THR H . . 4.540 4.105 4.021 4.310 . 0 0 "[ . 1 . 2]" 2
242 1 18 LYS HB2 1 20 PHE QE . . 4.340 3.924 3.620 4.352 0.012 18 0 "[ . 1 . 2]" 2
243 1 11 LEU MD2 1 23 SER HA . . 4.280 3.560 1.802 4.204 . 0 0 "[ . 1 . 2]" 2
244 1 23 SER HA 1 26 LEU HB3 . . 3.690 3.313 2.611 3.670 . 0 0 "[ . 1 . 2]" 2
245 1 26 LEU HG 1 27 SER HA . . 4.400 3.183 3.064 3.419 . 0 0 "[ . 1 . 2]" 2
246 1 27 SER HA 1 30 GLN HB2 . . 3.720 2.691 1.985 2.943 . 0 0 "[ . 1 . 2]" 2
247 1 25 CYS HA 1 28 LYS QB . . 3.680 3.016 2.760 3.692 0.012 19 0 "[ . 1 . 2]" 2
248 1 9 LYS HB3 1 10 PRO HD3 . . 5.100 4.160 3.454 4.994 . 0 0 "[ . 1 . 2]" 2
249 1 9 LYS HB3 1 10 PRO HD2 . . 5.100 2.950 2.004 4.129 . 0 0 "[ . 1 . 2]" 2
250 1 37 LYS HB2 1 38 PRO HD2 . . 5.500 3.404 2.003 4.224 . 0 0 "[ . 1 . 2]" 2
251 1 10 PRO HB2 1 12 VAL MG1 . . 4.020 3.766 3.666 3.931 . 0 0 "[ . 1 . 2]" 2
252 1 24 SER HA 1 24 SER QB . . 2.410 2.315 2.186 2.396 . 0 0 "[ . 1 . 2]" 2
253 1 28 LYS HA 1 31 ARG HG2 . . 3.390 2.725 2.478 3.178 . 0 0 "[ . 1 . 2]" 2
254 1 28 LYS HA 1 28 LYS QD . . 4.350 3.404 2.018 4.251 . 0 0 "[ . 1 . 2]" 2
255 1 28 LYS HA 1 28 LYS HG3 . . 3.910 3.279 2.463 3.775 . 0 0 "[ . 1 . 2]" 2
256 1 28 LYS HA 1 28 LYS HG2 . . 3.910 2.792 2.289 4.227 0.317 17 0 "[ . 1 . 2]" 2
257 1 29 HIS HD2 1 30 GLN HA . . 3.880 2.683 2.459 2.845 . 0 0 "[ . 1 . 2]" 2
258 1 30 GLN HA 1 33 HIS HD2 . . 3.380 2.311 2.159 2.597 . 0 0 "[ . 1 . 2]" 2
259 1 30 GLN HA 1 30 GLN QG . . 3.300 2.390 2.195 2.599 . 0 0 "[ . 1 . 2]" 2
260 1 13 CYS HA 1 26 LEU MD2 . . 4.260 3.544 3.081 3.875 . 0 0 "[ . 1 . 2]" 2
261 1 13 CYS HA 1 26 LEU MD1 . . 3.220 2.116 1.953 2.372 . 0 0 "[ . 1 . 2]" 2
262 1 28 LYS QB 1 29 HIS HA . . 4.780 4.257 4.049 4.712 . 0 0 "[ . 1 . 2]" 2
263 1 29 HIS HA 1 31 ARG HG2 . . 5.260 3.728 3.276 3.927 . 0 0 "[ . 1 . 2]" 2
264 1 29 HIS HA 1 32 ILE HG12 . . 4.520 4.458 4.128 4.545 0.025 16 0 "[ . 1 . 2]" 2
265 1 29 HIS HA 1 32 ILE MG . . 4.110 2.509 1.928 2.639 . 0 0 "[ . 1 . 2]" 2
266 1 28 LYS HA 1 31 ARG HB3 . . 4.790 4.050 3.931 4.132 . 0 0 "[ . 1 . 2]" 2
267 1 31 ARG HB3 1 31 ARG QD . . 3.850 2.778 2.611 3.039 . 0 0 "[ . 1 . 2]" 2
268 1 31 ARG H 1 31 ARG HB2 . . 3.620 3.592 3.574 3.652 0.032 19 0 "[ . 1 . 2]" 2
269 1 13 CYS HB3 1 20 PHE QE . . 4.050 3.540 3.298 3.832 . 0 0 "[ . 1 . 2]" 2
270 1 12 VAL HA 1 13 CYS HB3 . . 4.920 4.770 4.602 4.881 . 0 0 "[ . 1 . 2]" 2
271 1 13 CYS HB3 1 18 LYS HB3 . . 4.980 3.363 3.099 3.610 . 0 0 "[ . 1 . 2]" 2
272 1 15 GLU QB 1 33 HIS HD2 . . 4.410 2.701 2.352 2.941 . 0 0 "[ . 1 . 2]" 2
273 1 31 ARG HA 1 34 SER H . . 4.470 3.362 3.072 3.589 . 0 0 "[ . 1 . 2]" 2
274 1 31 ARG HA 1 31 ARG QD . . 4.580 4.421 4.224 4.596 0.016 14 0 "[ . 1 . 2]" 2
275 1 13 CYS HB3 1 29 HIS HD2 . . 4.570 4.112 3.732 4.327 . 0 0 "[ . 1 . 2]" 2
276 1 13 CYS HB3 1 15 GLU QB . . 5.220 4.191 3.971 4.495 . 0 0 "[ . 1 . 2]" 2
277 1 13 CYS HB3 1 26 LEU MD1 . . 4.020 3.543 3.393 3.830 . 0 0 "[ . 1 . 2]" 2
278 1 13 CYS HB2 1 18 LYS H . . 4.260 3.280 2.827 3.591 . 0 0 "[ . 1 . 2]" 2
279 1 13 CYS HB2 1 29 HIS HD2 . . 3.430 2.742 2.419 2.960 . 0 0 "[ . 1 . 2]" 2
280 1 13 CYS HB2 1 20 PHE QE . . 3.560 2.514 2.196 2.880 . 0 0 "[ . 1 . 2]" 2
281 1 15 GLU HA 1 15 GLU HG2 . . 3.910 2.915 2.561 3.802 . 0 0 "[ . 1 . 2]" 2
282 1 15 GLU HA 1 15 GLU HG3 . . 3.910 3.663 2.754 3.927 0.017 3 0 "[ . 1 . 2]" 2
283 1 37 LYS HA 1 37 LYS QD . . 5.080 3.616 1.990 4.466 . 0 0 "[ . 1 . 2]" 2
284 1 18 LYS HA 1 18 LYS HG3 . . 3.670 2.477 2.340 2.678 . 0 0 "[ . 1 . 2]" 2
285 1 18 LYS HA 1 18 LYS HG2 . . 3.670 2.872 2.774 3.295 . 0 0 "[ . 1 . 2]" 2
286 1 20 PHE QD 1 26 LEU HA . . 4.220 3.076 2.769 3.204 . 0 0 "[ . 1 . 2]" 2
287 1 26 LEU HA 1 26 LEU HG . . 4.200 3.256 3.151 3.387 . 0 0 "[ . 1 . 2]" 2
288 1 26 LEU HA 1 30 GLN H . . 5.040 4.229 4.099 4.325 . 0 0 "[ . 1 . 2]" 2
289 1 26 LEU HA 1 26 LEU MD2 . . 4.240 3.956 3.861 4.017 . 0 0 "[ . 1 . 2]" 2
290 1 25 CYS HB2 1 26 LEU H . . 4.560 2.721 2.197 3.553 . 0 0 "[ . 1 . 2]" 2
291 1 20 PHE QD 1 25 CYS HB2 . . 4.060 3.506 2.902 3.946 . 0 0 "[ . 1 . 2]" 2
292 1 20 PHE QE 1 29 HIS HB3 . . 4.750 3.456 2.889 4.005 . 0 0 "[ . 1 . 2]" 2
293 1 20 PHE QE 1 29 HIS HB2 . . 4.440 3.241 2.850 3.962 . 0 0 "[ . 1 . 2]" 2
294 1 27 SER HA 1 30 GLN HB3 . . 4.780 4.226 3.575 4.454 . 0 0 "[ . 1 . 2]" 2
295 1 21 ARG HA 1 21 ARG QD . . 4.220 3.434 1.990 4.348 0.128 2 0 "[ . 1 . 2]" 2
296 1 36 GLU HA 1 36 GLU HG2 . . 4.030 3.201 2.311 3.904 . 0 0 "[ . 1 . 2]" 2
297 1 31 ARG HA 1 31 ARG HG2 . . 3.980 3.834 3.681 3.990 0.010 17 0 "[ . 1 . 2]" 2
298 1 31 ARG HG2 1 32 ILE HA . . 5.420 5.334 4.509 5.499 0.079 8 0 "[ . 1 . 2]" 2
299 1 31 ARG HA 1 31 ARG HG3 . . 3.760 3.660 3.572 3.801 0.041 20 0 "[ . 1 . 2]" 2
300 1 28 LYS HA 1 31 ARG HG3 . . 4.750 4.370 4.102 4.773 0.023 19 0 "[ . 1 . 2]" 2
301 1 31 ARG HG3 1 32 ILE HA . . 5.160 3.684 3.244 3.785 . 0 0 "[ . 1 . 2]" 2
302 1 9 LYS HA 1 10 PRO QG . . 4.490 3.937 3.866 4.046 . 0 0 "[ . 1 . 2]" 2
303 1 10 PRO QG 1 12 VAL MG1 . . 4.270 3.023 2.773 3.266 . 0 0 "[ . 1 . 2]" 2
304 1 23 SER HA 1 26 LEU MD2 . . 4.260 3.885 3.463 4.256 . 0 0 "[ . 1 . 2]" 2
305 1 26 LEU HB3 1 26 LEU MD2 . . 3.430 2.205 2.045 2.446 . 0 0 "[ . 1 . 2]" 2
306 1 11 LEU HG 1 26 LEU MD2 . . 4.330 4.155 3.617 4.331 0.001 13 0 "[ . 1 . 2]" 2
307 1 14 ASN HA 1 14 ASN QB . . 2.780 2.345 2.164 2.495 . 0 0 "[ . 1 . 2]" 2
308 1 12 VAL MG1 1 14 ASN HA . . 4.700 4.582 4.430 4.703 0.003 4 0 "[ . 1 . 2]" 2
309 1 18 LYS H 1 18 LYS HG3 . . 4.640 4.522 4.431 4.658 0.018 18 0 "[ . 1 . 2]" 2
310 1 11 LEU HA 1 11 LEU MD1 . . 4.460 3.752 3.140 3.948 . 0 0 "[ . 1 . 2]" 2
311 1 11 LEU MD1 1 23 SER HA . . 4.280 2.339 1.796 4.300 0.020 14 0 "[ . 1 . 2]" 2
312 1 11 LEU HA 1 11 LEU HG . . 3.780 3.171 2.729 3.423 . 0 0 "[ . 1 . 2]" 2
313 1 11 LEU HA 1 26 LEU MD2 . . 3.810 2.984 2.724 3.271 . 0 0 "[ . 1 . 2]" 2
314 1 11 LEU HA 1 11 LEU MD2 . . 4.460 2.483 1.996 3.864 . 0 0 "[ . 1 . 2]" 2
315 1 20 PHE QD 1 26 LEU MD1 . . 3.380 2.152 1.943 2.371 . 0 0 "[ . 1 . 2]" 2
316 1 26 LEU MD1 1 29 HIS HD2 . . 3.330 2.781 2.431 3.099 . 0 0 "[ . 1 . 2]" 2
317 1 20 PHE QE 1 26 LEU MD1 . . 3.620 2.274 1.794 2.599 . 0 0 "[ . 1 . 2]" 2
318 1 26 LEU MD1 1 29 HIS HB3 . . 4.090 3.490 3.045 3.713 . 0 0 "[ . 1 . 2]" 2
319 1 26 LEU HA 1 26 LEU MD1 . . 3.100 2.233 2.010 2.485 . 0 0 "[ . 1 . 2]" 2
320 1 13 CYS HB2 1 26 LEU MD1 . . 3.300 2.273 2.116 2.558 . 0 0 "[ . 1 . 2]" 2
321 1 26 LEU MD1 1 30 GLN QG . . 3.310 2.430 2.020 2.665 . 0 0 "[ . 1 . 2]" 2
322 1 19 THR H 1 19 THR MG . . 3.550 2.332 2.128 2.485 . 0 0 "[ . 1 . 2]" 2
323 1 19 THR HA 1 19 THR MG . . 3.120 2.402 2.345 2.472 . 0 0 "[ . 1 . 2]" 2
324 1 12 VAL HA 1 19 THR MG . . 3.770 3.389 3.263 3.579 . 0 0 "[ . 1 . 2]" 2
325 1 18 LYS HA 1 19 THR MG . . 3.950 3.713 3.579 3.843 . 0 0 "[ . 1 . 2]" 2
326 1 10 PRO HB3 1 19 THR MG . . 4.410 4.302 4.216 4.411 0.001 20 0 "[ . 1 . 2]" 2
327 1 10 PRO QG 1 19 THR MG . . 4.050 3.273 2.908 3.483 . 0 0 "[ . 1 . 2]" 2
328 1 10 PRO HB2 1 19 THR MG . . 3.870 3.131 3.098 3.170 . 0 0 "[ . 1 . 2]" 2
329 1 12 VAL HB 1 19 THR MG . . 4.330 1.947 1.845 2.137 . 0 0 "[ . 1 . 2]" 2
330 1 12 VAL MG2 1 19 THR MG . . 3.510 2.698 2.432 3.001 . 0 0 "[ . 1 . 2]" 2
331 1 9 LYS HB2 1 10 PRO HD3 . . 5.100 4.574 3.359 4.993 . 0 0 "[ . 1 . 2]" 2
332 1 37 LYS HB3 1 38 PRO HD3 . . 5.500 4.259 3.451 4.892 . 0 0 "[ . 1 . 2]" 2
333 1 37 LYS HB2 1 38 PRO HD3 . . 5.500 4.483 3.424 5.038 . 0 0 "[ . 1 . 2]" 2
334 1 9 LYS HB2 1 10 PRO HD2 . . 5.100 3.549 1.962 4.125 . 0 0 "[ . 1 . 2]" 2
335 1 37 LYS HB3 1 38 PRO HD2 . . 5.500 3.129 2.002 4.017 . 0 0 "[ . 1 . 2]" 2
336 1 9 LYS HG2 1 10 PRO HD2 . . 5.500 3.226 1.969 4.556 . 0 0 "[ . 1 . 2]" 2
337 1 37 LYS QG 1 38 PRO HD2 . . 5.500 3.371 1.820 4.520 . 0 0 "[ . 1 . 2]" 2
338 1 12 VAL MG1 1 13 CYS H . . 4.090 4.089 4.024 4.165 0.075 12 0 "[ . 1 . 2]" 2
339 1 12 VAL MG1 1 19 THR HA . . 3.920 3.814 3.616 3.933 0.013 4 0 "[ . 1 . 2]" 2
340 1 12 VAL HA 1 12 VAL MG1 . . 3.410 3.158 3.141 3.175 . 0 0 "[ . 1 . 2]" 2
341 1 11 LEU HA 1 12 VAL MG1 . . 4.210 3.586 3.506 3.668 . 0 0 "[ . 1 . 2]" 2
342 1 12 VAL MG1 1 17 GLY HA2 . . 4.210 4.210 4.180 4.237 0.027 17 0 "[ . 1 . 2]" 2
343 1 12 VAL MG2 1 13 CYS H . . 3.510 2.198 1.977 2.639 . 0 0 "[ . 1 . 2]" 2
344 1 12 VAL MG2 1 19 THR HA . . 4.330 3.300 3.067 3.680 . 0 0 "[ . 1 . 2]" 2
345 1 12 VAL HA 1 12 VAL MG2 . . 3.500 2.543 2.489 2.602 . 0 0 "[ . 1 . 2]" 2
346 1 12 VAL MG2 1 14 ASN HA . . 3.780 3.522 3.414 3.628 . 0 0 "[ . 1 . 2]" 2
347 1 12 VAL MG2 1 13 CYS HB2 . . 4.960 4.210 4.035 4.420 . 0 0 "[ . 1 . 2]" 2
348 1 20 PHE HA 1 20 PHE QD . . 4.450 3.002 2.819 3.131 . 0 0 "[ . 1 . 2]" 2
349 1 18 LYS HB3 1 20 PHE QE . . 4.340 2.299 2.002 2.780 . 0 0 "[ . 1 . 2]" 2
350 1 33 HIS HB2 1 33 HIS HD2 . . 3.960 2.703 2.692 2.716 . 0 0 "[ . 1 . 2]" 2
351 1 26 LEU HA 1 29 HIS HD2 . . 4.780 3.879 3.666 4.047 . 0 0 "[ . 1 . 2]" 2
352 1 20 PHE HZ 1 29 HIS HD2 . . 5.440 3.687 3.146 4.282 . 0 0 "[ . 1 . 2]" 2
353 1 19 THR HA 1 20 PHE QD . . 4.190 3.183 2.894 3.440 . 0 0 "[ . 1 . 2]" 2
354 1 12 VAL HA 1 19 THR HA . . 3.190 1.965 1.939 1.980 . 0 0 "[ . 1 . 2]" 2
355 1 15 GLU HA 1 16 CYS HA . . 5.030 4.551 4.546 4.563 . 0 0 "[ . 1 . 2]" 2
356 1 16 CYS HA 1 17 GLY HA3 . . 5.390 4.524 4.521 4.526 . 0 0 "[ . 1 . 2]" 2
357 1 9 LYS HA 1 9 LYS QD . . 4.280 3.806 2.139 4.263 . 0 0 "[ . 1 . 2]" 2
358 1 37 LYS HA 1 38 PRO HD2 . . 3.030 2.209 1.955 2.455 . 0 0 "[ . 1 . 2]" 2
359 1 37 LYS HA 1 38 PRO HD3 . . 3.030 2.278 2.254 2.352 . 0 0 "[ . 1 . 2]" 2
360 1 16 CYS HB2 1 33 HIS HE1 . . 4.010 3.921 3.534 4.031 0.021 18 0 "[ . 1 . 2]" 2
361 1 16 CYS HB3 1 33 HIS HE1 . . 3.180 2.521 2.436 2.580 . 0 0 "[ . 1 . 2]" 2
362 1 15 GLU QB 1 33 HIS HE1 . . 4.490 3.985 3.835 4.475 . 0 0 "[ . 1 . 2]" 2
363 1 29 HIS HE1 1 32 ILE MG . . 4.250 4.244 4.123 4.326 0.076 17 0 "[ . 1 . 2]" 2
364 1 29 HIS HE1 1 32 ILE MD . . 3.260 2.394 2.238 2.443 . 0 0 "[ . 1 . 2]" 2
365 1 18 LYS HD3 1 29 HIS HE1 . . 4.250 3.601 3.138 4.280 0.030 15 0 "[ . 1 . 2]" 2
366 1 18 LYS HD2 1 29 HIS HE1 . . 4.250 3.264 2.143 4.048 . 0 0 "[ . 1 . 2]" 2
367 1 9 LYS HA 1 10 PRO HD2 . . 2.800 2.289 2.165 2.468 . 0 0 "[ . 1 . 2]" 2
368 1 9 LYS HA 1 10 PRO HD3 . . 2.800 2.275 2.254 2.329 . 0 0 "[ . 1 . 2]" 2
369 1 9 LYS HG3 1 10 PRO HD2 . . 5.500 3.350 1.985 4.518 . 0 0 "[ . 1 . 2]" 2
370 1 9 LYS HG2 1 10 PRO HD3 . . 5.500 4.267 3.488 5.619 0.119 20 0 "[ . 1 . 2]" 2
371 1 37 LYS QG 1 38 PRO HD3 . . 5.500 4.274 3.196 5.087 . 0 0 "[ . 1 . 2]" 2
372 1 10 PRO HB3 1 12 VAL MG1 . . 5.380 5.154 5.015 5.344 . 0 0 "[ . 1 . 2]" 2
373 1 11 LEU HB3 1 20 PHE QD . . 5.500 4.476 3.921 4.988 . 0 0 "[ . 1 . 2]" 2
374 1 11 LEU HA 1 12 VAL HB . . 5.210 5.041 4.920 5.099 . 0 0 "[ . 1 . 2]" 2
375 1 12 VAL MG1 1 19 THR MG . . 3.160 2.938 2.772 3.105 . 0 0 "[ . 1 . 2]" 2
376 1 12 VAL MG1 1 17 GLY HA3 . . 5.450 5.409 5.313 5.466 0.016 18 0 "[ . 1 . 2]" 2
377 1 12 VAL MG2 1 13 CYS HB3 . . 4.840 3.560 3.455 3.734 . 0 0 "[ . 1 . 2]" 2
378 1 12 VAL MG2 1 18 LYS HA . . 4.980 3.422 3.215 3.618 . 0 0 "[ . 1 . 2]" 2
379 1 13 CYS HB3 1 20 PHE QD . . 5.390 5.277 4.886 5.406 0.016 10 0 "[ . 1 . 2]" 2
380 1 13 CYS HB2 1 16 CYS H . . 4.660 4.187 3.988 4.358 . 0 0 "[ . 1 . 2]" 2
381 1 13 CYS HB2 1 20 PHE QD . . 4.790 4.239 4.020 4.392 . 0 0 "[ . 1 . 2]" 2
382 1 12 VAL MG2 1 14 ASN QB . . 4.860 4.727 4.504 4.893 0.033 4 0 "[ . 1 . 2]" 2
383 1 14 ASN QB 1 15 GLU HA . . 4.730 4.168 4.051 4.712 . 0 0 "[ . 1 . 2]" 2
384 1 15 GLU QB 1 33 HIS HB3 . . 5.380 2.967 2.670 3.297 . 0 0 "[ . 1 . 2]" 2
385 1 14 ASN QB 1 15 GLU HG2 . . 5.090 3.775 3.383 4.993 . 0 0 "[ . 1 . 2]" 2
386 1 15 GLU HG2 1 33 HIS HB3 . . 5.200 4.696 3.213 5.174 . 0 0 "[ . 1 . 2]" 2
387 1 15 GLU HG2 1 33 HIS HD2 . . 5.290 4.129 2.848 4.840 . 0 0 "[ . 1 . 2]" 2
388 1 14 ASN QB 1 15 GLU HG3 . . 5.090 4.819 3.748 5.092 0.002 18 0 "[ . 1 . 2]" 2
389 1 15 GLU HG3 1 33 HIS HB3 . . 5.200 3.867 3.255 5.058 . 0 0 "[ . 1 . 2]" 2
390 1 15 GLU HG3 1 33 HIS HD2 . . 5.290 3.043 2.373 4.448 . 0 0 "[ . 1 . 2]" 2
391 1 15 GLU QB 1 16 CYS HB3 . . 4.780 3.581 3.454 3.639 . 0 0 "[ . 1 . 2]" 2
392 1 15 GLU QB 1 16 CYS HB2 . . 5.000 4.957 4.901 4.981 . 0 0 "[ . 1 . 2]" 2
393 1 16 CYS HB2 1 17 GLY H . . 4.800 3.795 3.737 3.947 . 0 0 "[ . 1 . 2]" 2
394 1 16 CYS HB2 1 18 LYS H . . 4.740 4.629 4.548 4.744 0.004 10 0 "[ . 1 . 2]" 2
395 1 16 CYS H 1 17 GLY HA2 . . 4.250 4.198 4.167 4.294 0.044 7 0 "[ . 1 . 2]" 2
396 1 13 CYS HB2 1 18 LYS HB2 . . 5.500 4.454 4.002 5.114 . 0 0 "[ . 1 . 2]" 2
397 1 18 LYS HB2 1 20 PHE HZ . . 4.960 4.270 3.594 4.792 . 0 0 "[ . 1 . 2]" 2
398 1 13 CYS HB3 1 18 LYS HB2 . . 4.980 3.684 3.454 4.398 . 0 0 "[ . 1 . 2]" 2
399 1 13 CYS HB2 1 18 LYS HB3 . . 5.500 3.460 3.029 3.788 . 0 0 "[ . 1 . 2]" 2
400 1 18 LYS HG3 1 20 PHE QE . . 5.500 4.743 4.354 5.158 . 0 0 "[ . 1 . 2]" 2
401 1 18 LYS HD2 1 20 PHE HZ . . 5.150 3.526 2.061 4.408 . 0 0 "[ . 1 . 2]" 2
402 1 18 LYS HD3 1 20 PHE HZ . . 5.150 2.530 2.003 3.567 . 0 0 "[ . 1 . 2]" 2
403 1 19 THR HB 1 20 PHE QD . . 5.340 5.004 4.752 5.275 . 0 0 "[ . 1 . 2]" 2
404 1 12 VAL HA 1 19 THR HB . . 5.020 4.282 4.216 4.366 . 0 0 "[ . 1 . 2]" 2
405 1 13 CYS H 1 19 THR MG . . 4.740 4.541 4.355 4.678 . 0 0 "[ . 1 . 2]" 2
406 1 10 PRO HA 1 19 THR MG . . 5.500 5.521 5.505 5.540 0.040 18 0 "[ . 1 . 2]" 2
407 1 20 PHE HB3 1 26 LEU HB2 . . 4.720 3.431 3.061 3.895 . 0 0 "[ . 1 . 2]" 2
408 1 20 PHE HB3 1 26 LEU MD1 . . 5.210 4.755 4.357 5.088 . 0 0 "[ . 1 . 2]" 2
409 1 20 PHE HB2 1 22 GLN H . . 5.440 4.305 3.208 4.746 . 0 0 "[ . 1 . 2]" 2
410 1 19 THR HA 1 20 PHE HB2 . . 5.500 4.426 4.319 4.513 . 0 0 "[ . 1 . 2]" 2
411 1 11 LEU HG 1 20 PHE HB2 . . 5.390 5.095 4.768 5.434 0.044 18 0 "[ . 1 . 2]" 2
412 1 20 PHE QD 1 26 LEU HB2 . . 4.800 2.426 2.002 3.025 . 0 0 "[ . 1 . 2]" 2
413 1 11 LEU HB2 1 20 PHE QD . . 5.500 3.980 3.575 4.484 . 0 0 "[ . 1 . 2]" 2
414 1 18 LYS HG2 1 20 PHE QE . . 5.500 3.604 2.887 4.118 . 0 0 "[ . 1 . 2]" 2
415 1 20 PHE HZ 1 29 HIS HB2 . . 4.860 3.218 2.877 3.902 . 0 0 "[ . 1 . 2]" 2
416 1 18 LYS HB3 1 20 PHE HZ . . 4.960 2.945 2.267 3.448 . 0 0 "[ . 1 . 2]" 2
417 1 21 ARG HB2 1 22 GLN QG . . 5.090 3.607 2.747 4.738 . 0 0 "[ . 1 . 2]" 2
418 1 21 ARG HG2 1 22 GLN QG . . 5.380 4.258 2.439 5.363 . 0 0 "[ . 1 . 2]" 2
419 1 21 ARG HG3 1 22 GLN QG . . 5.380 4.075 1.980 5.354 . 0 0 "[ . 1 . 2]" 2
420 1 22 GLN QB 1 23 SER HA . . 5.500 4.421 4.245 4.730 . 0 0 "[ . 1 . 2]" 2
421 1 22 GLN QB 1 24 SER QB . . 5.500 3.547 3.148 4.362 . 0 0 "[ . 1 . 2]" 2
422 1 21 ARG HB3 1 22 GLN QG . . 5.090 3.451 2.554 4.880 . 0 0 "[ . 1 . 2]" 2
423 1 22 GLN QG 1 25 CYS HB3 . . 5.500 5.101 3.391 5.502 0.002 7 0 "[ . 1 . 2]" 2
424 1 21 ARG QD 1 22 GLN QG . . 5.480 4.306 3.057 5.475 . 0 0 "[ . 1 . 2]" 2
425 1 22 GLN QG 1 25 CYS HB2 . . 5.500 4.035 1.961 4.543 . 0 0 "[ . 1 . 2]" 2
426 1 22 GLN HA 1 22 GLN QG . . 3.750 2.661 2.279 3.334 . 0 0 "[ . 1 . 2]" 2
427 1 22 GLN H 1 22 GLN QG . . 4.770 2.600 2.020 3.284 . 0 0 "[ . 1 . 2]" 2
428 1 23 SER HA 1 26 LEU HB2 . . 4.780 4.534 3.971 4.781 0.001 13 0 "[ . 1 . 2]" 2
429 1 23 SER HA 1 27 SER H . . 4.980 4.098 3.285 4.515 . 0 0 "[ . 1 . 2]" 2
430 1 20 PHE HB2 1 26 LEU HA . . 4.720 3.717 3.349 3.927 . 0 0 "[ . 1 . 2]" 2
431 1 20 PHE QE 1 26 LEU HA . . 4.820 3.173 2.901 3.433 . 0 0 "[ . 1 . 2]" 2
432 1 20 PHE HB2 1 26 LEU HB3 . . 4.740 3.505 3.325 3.673 . 0 0 "[ . 1 . 2]" 2
433 1 26 LEU HB3 1 27 SER HA . . 5.340 4.419 4.324 4.525 . 0 0 "[ . 1 . 2]" 2
434 1 26 LEU HG 1 30 GLN HE21 . . 5.420 3.724 2.961 4.460 . 0 0 "[ . 1 . 2]" 2
435 1 26 LEU HG 1 30 GLN HE22 . . 5.420 4.571 3.992 5.169 . 0 0 "[ . 1 . 2]" 2
436 1 26 LEU MD2 1 30 GLN HE21 . . 4.680 3.632 3.010 4.171 . 0 0 "[ . 1 . 2]" 2
437 1 20 PHE QD 1 26 LEU MD2 . . 4.990 3.474 3.083 3.880 . 0 0 "[ . 1 . 2]" 2
438 1 15 GLU H 1 26 LEU MD1 . . 5.500 4.893 4.679 5.093 . 0 0 "[ . 1 . 2]" 2
439 1 20 PHE H 1 26 LEU MD1 . . 5.500 4.394 3.972 4.721 . 0 0 "[ . 1 . 2]" 2
440 1 26 LEU MD1 1 27 SER HA . . 4.910 4.336 4.125 4.498 . 0 0 "[ . 1 . 2]" 2
441 1 27 SER QB 1 28 LYS QB . . 4.760 4.127 3.660 4.760 . 0 0 "[ . 1 . 2]" 2
442 1 29 HIS HA 1 31 ARG HG3 . . 5.500 3.666 3.445 4.704 . 0 0 "[ . 1 . 2]" 2
443 1 20 PHE HZ 1 29 HIS HB3 . . 4.990 3.252 2.678 4.025 . 0 0 "[ . 1 . 2]" 2
444 1 26 LEU MD1 1 29 HIS HB2 . . 5.030 4.853 4.450 5.058 0.028 19 0 "[ . 1 . 2]" 2
445 1 29 HIS HE1 1 32 ILE HG12 . . 4.860 4.560 4.324 4.780 . 0 0 "[ . 1 . 2]" 2
446 1 29 HIS HE1 1 32 ILE HG13 . . 5.060 5.076 4.931 5.166 0.106 10 0 "[ . 1 . 2]" 2
447 1 20 PHE HZ 1 29 HIS HE1 . . 4.700 3.536 3.155 3.931 . 0 0 "[ . 1 . 2]" 2
448 1 30 GLN HA 1 33 HIS HB2 . . 4.650 3.953 3.780 4.500 . 0 0 "[ . 1 . 2]" 2
449 1 26 LEU MD1 1 30 GLN HA . . 5.210 4.383 4.008 4.612 . 0 0 "[ . 1 . 2]" 2
450 1 30 GLN HA 1 32 ILE HG13 . . 5.500 4.701 4.510 5.446 . 0 0 "[ . 1 . 2]" 2
451 1 26 LEU MD1 1 30 GLN HB3 . . 5.370 4.873 4.368 5.118 . 0 0 "[ . 1 . 2]" 2
452 1 26 LEU HG 1 30 GLN HB3 . . 5.500 5.265 4.699 5.519 0.019 13 0 "[ . 1 . 2]" 2
453 1 30 GLN HB3 1 33 HIS HD2 . . 5.210 4.073 3.812 4.702 . 0 0 "[ . 1 . 2]" 2
454 1 28 LYS H 1 30 GLN HB2 . . 5.500 5.374 4.919 5.510 0.010 12 0 "[ . 1 . 2]" 2
455 1 30 GLN HB2 1 33 HIS HD2 . . 5.500 5.143 4.959 5.507 0.007 19 0 "[ . 1 . 2]" 2
456 1 28 LYS HA 1 31 ARG HB2 . . 5.470 5.265 5.110 5.363 . 0 0 "[ . 1 . 2]" 2
457 1 31 ARG HB2 1 32 ILE HA . . 5.500 4.508 4.408 4.954 . 0 0 "[ . 1 . 2]" 2
458 1 29 HIS HA 1 32 ILE HB . . 5.500 5.391 4.669 5.558 0.058 11 0 "[ . 1 . 2]" 2
459 1 32 ILE HG12 1 33 HIS HE1 . . 5.500 4.424 4.224 4.513 . 0 0 "[ . 1 . 2]" 2
460 1 32 ILE HG13 1 33 HIS HE1 . . 5.230 3.569 3.448 3.790 . 0 0 "[ . 1 . 2]" 2
461 1 32 ILE MG 1 33 HIS HD2 . . 5.080 4.753 4.617 4.891 . 0 0 "[ . 1 . 2]" 2
462 1 31 ARG H 1 32 ILE MG . . 5.100 3.672 3.082 3.806 . 0 0 "[ . 1 . 2]" 2
463 1 32 ILE HG12 1 32 ILE MG . . 3.400 2.420 2.341 2.514 . 0 0 "[ . 1 . 2]" 2
464 1 32 ILE HG13 1 32 ILE MG . . 3.190 3.185 3.179 3.188 . 0 0 "[ . 1 . 2]" 2
465 1 29 HIS HA 1 32 ILE MD . . 4.280 3.911 3.612 4.179 . 0 0 "[ . 1 . 2]" 2
466 1 33 HIS HB3 1 34 SER H . . 5.500 3.671 3.487 3.988 . 0 0 "[ . 1 . 2]" 2
467 1 32 ILE MG 1 33 HIS HE1 . . 5.500 5.504 5.459 5.539 0.039 19 0 "[ . 1 . 2]" 2
468 1 16 CYS HA 1 33 HIS HE1 . . 4.720 4.726 4.644 4.748 0.028 17 0 "[ . 1 . 2]" 2
469 1 20 PHE QD 1 25 CYS HB3 . . 4.060 2.230 1.998 2.931 . 0 0 "[ . 1 . 2]" 2
470 1 20 PHE HB3 1 26 LEU HB3 . . 5.500 4.433 4.067 4.750 . 0 0 "[ . 1 . 2]" 2
471 1 11 LEU HG 1 26 LEU HB2 . . 5.500 5.497 5.346 5.536 0.036 16 0 "[ . 1 . 2]" 2
472 1 11 LEU HG 1 26 LEU HB3 . . 5.500 5.469 5.213 5.525 0.025 9 0 "[ . 1 . 2]" 2
473 1 27 SER HA 1 27 SER QB . . 2.800 2.342 2.169 2.493 . 0 0 "[ . 1 . 2]" 2
474 1 9 LYS HG3 1 10 PRO HD3 . . 5.500 4.475 3.273 5.394 . 0 0 "[ . 1 . 2]" 2
475 1 8 LYS HA 1 8 LYS QG . . 3.630 2.743 2.215 3.424 . 0 0 "[ . 1 . 2]" 2
476 1 8 LYS QB 1 9 LYS H . . 4.310 2.864 2.118 4.042 . 0 0 "[ . 1 . 2]" 2
477 1 9 LYS H 1 9 LYS QB . . 3.600 2.268 2.104 2.534 . 0 0 "[ . 1 . 2]" 2
478 1 9 LYS H 1 9 LYS QG . . 4.710 3.151 2.300 3.949 . 0 0 "[ . 1 . 2]" 2
479 1 9 LYS HA 1 9 LYS QG . . 3.670 2.509 2.128 3.307 . 0 0 "[ . 1 . 2]" 2
480 1 9 LYS HA 1 10 PRO QD . . 2.430 2.031 1.966 2.131 . 0 0 "[ . 1 . 2]" 2
481 1 9 LYS QB 1 10 PRO QD . . 3.600 2.506 1.938 3.071 . 0 0 "[ . 1 . 2]" 2
482 1 9 LYS QG 1 10 PRO QD . . 4.080 2.611 1.801 3.467 . 0 0 "[ . 1 . 2]" 2
483 1 10 PRO HA 1 11 LEU QD . . 4.340 3.476 2.278 4.108 . 0 0 "[ . 1 . 2]" 2
484 1 10 PRO QD 1 11 LEU H . . 4.960 4.960 4.918 4.993 0.033 20 0 "[ . 1 . 2]" 2
485 1 11 LEU H 1 11 LEU QB . . 3.190 2.581 2.449 2.658 . 0 0 "[ . 1 . 2]" 2
486 1 11 LEU H 1 11 LEU QD . . 3.420 2.860 1.701 3.279 . 0 0 "[ . 1 . 2]" 2
487 1 11 LEU HA 1 11 LEU QD . . 2.930 2.306 1.990 3.021 0.091 14 0 "[ . 1 . 2]" 2
488 1 11 LEU QB 1 12 VAL H . . 3.880 3.551 3.433 3.587 . 0 0 "[ . 1 . 2]" 2
489 1 11 LEU QB 1 20 PHE H . . 4.070 3.220 2.975 3.489 . 0 0 "[ . 1 . 2]" 2
490 1 11 LEU QB 1 20 PHE HB2 . . 3.790 2.673 2.367 2.950 . 0 0 "[ . 1 . 2]" 2
491 1 11 LEU QB 1 20 PHE HB3 . . 4.760 4.068 3.806 4.365 . 0 0 "[ . 1 . 2]" 2
492 1 11 LEU QB 1 23 SER HA . . 5.340 3.659 3.455 3.908 . 0 0 "[ . 1 . 2]" 2
493 1 11 LEU QB 1 26 LEU HB2 . . 4.830 2.853 2.678 2.984 . 0 0 "[ . 1 . 2]" 2
494 1 11 LEU QB 1 26 LEU MD2 . . 3.390 1.800 1.742 1.933 . 0 0 "[ . 1 . 2]" 2
495 1 11 LEU QD 1 12 VAL H . . 4.360 3.985 3.764 4.451 0.091 18 0 "[ . 1 . 2]" 2
496 1 11 LEU QD 1 20 PHE HB2 . . 4.540 3.593 3.165 3.942 . 0 0 "[ . 1 . 2]" 2
497 1 11 LEU QD 1 20 PHE HB3 . . 4.860 4.324 3.900 4.719 . 0 0 "[ . 1 . 2]" 2
498 1 11 LEU QD 1 23 SER HA . . 3.200 1.856 1.794 2.094 . 0 0 "[ . 1 . 2]" 2
499 1 11 LEU QD 1 23 SER QB . . 4.780 2.756 2.282 3.230 . 0 0 "[ . 1 . 2]" 2
500 1 11 LEU QD 1 26 LEU HB3 . . 4.440 3.114 2.887 3.406 . 0 0 "[ . 1 . 2]" 2
501 1 13 CYS H 1 18 LYS QB . . 5.200 3.396 3.272 3.549 . 0 0 "[ . 1 . 2]" 2
502 1 13 CYS HA 1 30 GLN QE . . 4.340 2.107 1.847 2.735 . 0 0 "[ . 1 . 2]" 2
503 1 13 CYS HB2 1 18 LYS QB . . 4.700 3.343 2.946 3.648 . 0 0 "[ . 1 . 2]" 2
504 1 13 CYS HB3 1 18 LYS QB . . 4.190 3.099 2.918 3.232 . 0 0 "[ . 1 . 2]" 2
505 1 14 ASN QB 1 15 GLU QG . . 4.430 3.567 3.331 4.361 . 0 0 "[ . 1 . 2]" 2
506 1 15 GLU H 1 15 GLU QG . . 3.350 2.297 1.873 3.385 0.035 4 0 "[ . 1 . 2]" 2
507 1 15 GLU QG 1 16 CYS H . . 4.300 3.814 3.617 4.260 . 0 0 "[ . 1 . 2]" 2
508 1 15 GLU QG 1 33 HIS HB2 . . 5.240 2.899 2.360 3.947 . 0 0 "[ . 1 . 2]" 2
509 1 15 GLU QG 1 33 HIS HB3 . . 4.460 3.616 3.012 4.392 . 0 0 "[ . 1 . 2]" 2
510 1 15 GLU QG 1 33 HIS HD2 . . 4.640 2.840 2.351 3.742 . 0 0 "[ . 1 . 2]" 2
511 1 16 CYS HB2 1 18 LYS QB . . 5.030 4.056 3.952 4.208 . 0 0 "[ . 1 . 2]" 2
512 1 16 CYS HB3 1 18 LYS QB . . 5.340 4.738 4.649 4.829 . 0 0 "[ . 1 . 2]" 2
513 1 17 GLY H 1 18 LYS QB . . 5.110 3.886 3.827 3.985 . 0 0 "[ . 1 . 2]" 2
514 1 18 LYS H 1 18 LYS QB . . 3.040 2.409 2.346 2.443 . 0 0 "[ . 1 . 2]" 2
515 1 18 LYS HA 1 18 LYS QG . . 3.190 2.336 2.264 2.564 . 0 0 "[ . 1 . 2]" 2
516 1 18 LYS HA 1 18 LYS QD . . 4.630 4.013 3.968 4.122 . 0 0 "[ . 1 . 2]" 2
517 1 18 LYS QB 1 19 THR H . . 3.810 3.778 3.731 3.799 . 0 0 "[ . 1 . 2]" 2
518 1 18 LYS QB 1 20 PHE HZ . . 4.340 2.894 2.244 3.374 . 0 0 "[ . 1 . 2]" 2
519 1 18 LYS QB 1 29 HIS HE1 . . 4.800 3.562 2.969 3.959 . 0 0 "[ . 1 . 2]" 2
520 1 18 LYS QG 1 20 PHE QE . . 4.800 3.496 2.848 3.963 . 0 0 "[ . 1 . 2]" 2
521 1 18 LYS QD 1 19 THR H . . 5.340 4.983 4.856 5.040 . 0 0 "[ . 1 . 2]" 2
522 1 18 LYS QD 1 20 PHE HZ . . 4.470 2.293 1.984 2.680 . 0 0 "[ . 1 . 2]" 2
523 1 18 LYS QD 1 29 HIS HE1 . . 3.500 2.939 2.131 3.390 . 0 0 "[ . 1 . 2]" 2
524 1 20 PHE HB2 1 25 CYS QB . . 5.050 3.467 3.000 3.724 . 0 0 "[ . 1 . 2]" 2
525 1 20 PHE QD 1 25 CYS QB . . 3.560 2.204 1.969 2.853 . 0 0 "[ . 1 . 2]" 2
526 1 20 PHE QE 1 25 CYS QB . . 5.340 3.815 3.368 4.470 . 0 0 "[ . 1 . 2]" 2
527 1 21 ARG HA 1 21 ARG QG . . 3.640 2.719 2.204 3.439 . 0 0 "[ . 1 . 2]" 2
528 1 21 ARG QB 1 22 GLN QG . . 4.270 2.949 2.533 3.837 . 0 0 "[ . 1 . 2]" 2
529 1 21 ARG QG 1 22 GLN QG . . 4.740 3.591 1.967 4.732 . 0 0 "[ . 1 . 2]" 2
530 1 22 GLN H 1 25 CYS QB . . 5.140 2.814 2.389 3.235 . 0 0 "[ . 1 . 2]" 2
531 1 22 GLN QB 1 25 CYS QB . . 4.380 2.737 1.969 4.263 . 0 0 "[ . 1 . 2]" 2
532 1 22 GLN QG 1 25 CYS QB . . 4.700 3.884 1.949 4.328 . 0 0 "[ . 1 . 2]" 2
533 1 25 CYS H 1 25 CYS QB . . 3.640 2.247 2.127 2.445 . 0 0 "[ . 1 . 2]" 2
534 1 25 CYS QB 1 26 LEU H . . 3.720 2.242 1.983 2.545 . 0 0 "[ . 1 . 2]" 2
535 1 25 CYS QB 1 26 LEU HB3 . . 5.340 4.277 4.156 4.356 . 0 0 "[ . 1 . 2]" 2
536 1 26 LEU MD1 1 30 GLN QE . . 3.740 2.443 1.911 2.803 . 0 0 "[ . 1 . 2]" 2
537 1 26 LEU MD2 1 30 GLN QE . . 4.000 3.292 2.952 3.585 . 0 0 "[ . 1 . 2]" 2
538 1 28 LYS H 1 28 LYS QG . . 4.160 3.206 2.147 4.053 . 0 0 "[ . 1 . 2]" 2
539 1 28 LYS HA 1 28 LYS QG . . 3.430 2.542 2.225 3.412 . 0 0 "[ . 1 . 2]" 2
540 1 30 GLN QE 1 33 HIS HD2 . . 4.820 4.442 4.205 4.767 . 0 0 "[ . 1 . 2]" 2
541 1 36 GLU H 1 36 GLU QB . . 3.200 2.545 2.201 3.128 . 0 0 "[ . 1 . 2]" 2
542 1 36 GLU H 1 36 GLU QG . . 3.700 2.626 2.041 3.848 0.148 20 0 "[ . 1 . 2]" 2
543 1 36 GLU QB 1 37 LYS H . . 3.620 2.724 2.170 3.649 0.029 19 0 "[ . 1 . 2]" 2
544 1 37 LYS H 1 37 LYS QB . . 3.120 2.420 2.122 2.767 . 0 0 "[ . 1 . 2]" 2
545 1 37 LYS H 1 38 PRO QD . . 4.870 4.316 4.139 4.376 . 0 0 "[ . 1 . 2]" 2
546 1 37 LYS HA 1 38 PRO QG . . 4.780 3.895 3.773 4.037 . 0 0 "[ . 1 . 2]" 2
547 1 37 LYS HA 1 38 PRO QD . . 2.650 1.991 1.864 2.123 . 0 0 "[ . 1 . 2]" 2
548 1 37 LYS QB 1 38 PRO QD . . 3.950 2.564 1.977 3.431 . 0 0 "[ . 1 . 2]" 2
549 1 38 PRO QD 1 39 SER H . . 4.960 4.491 3.094 4.923 . 0 0 "[ . 1 . 2]" 2
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