NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508188 |
2eol   |
11166 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eol
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 22
_Distance_constraint_stats_list.Viol_total 0.326
_Distance_constraint_stats_list.Viol_max 0.003
_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 0.0007
_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 0.008 0.003 16 0 "[ . 1 . 2]"
1 16 CYS 0.005 0.002 20 0 "[ . 1 . 2]"
1 29 HIS 0.003 0.001 12 0 "[ . 1 . 2]"
1 33 HIS 0.006 0.002 12 0 "[ . 1 . 2]"
2 1 ZN 0.010 0.003 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 CYS SG 2 1 ZN ZN . 2.190 2.390 2.348 2.265 2.393 0.003 16 0 "[ . 1 . 2]" 1
2 1 13 CYS CB 2 1 ZN ZN . 3.250 3.510 3.276 3.249 3.354 0.001 5 0 "[ . 1 . 2]" 1
3 1 16 CYS SG 2 1 ZN ZN . 2.190 2.390 2.287 2.191 2.391 0.001 1 0 "[ . 1 . 2]" 1
4 1 16 CYS CB 2 1 ZN ZN . 3.250 3.510 3.454 3.282 3.512 0.002 20 0 "[ . 1 . 2]" 1
5 1 29 HIS NE2 2 1 ZN ZN . . 2.100 2.023 1.906 2.100 . 0 0 "[ . 1 . 2]" 1
6 1 33 HIS NE2 2 1 ZN ZN . . 2.100 1.960 1.898 2.099 0.002 12 0 "[ . 1 . 2]" 1
7 1 13 CYS SG 1 16 CYS SG . 3.560 3.960 3.817 3.560 3.960 0.000 4 0 "[ . 1 . 2]" 1
8 1 13 CYS SG 1 29 HIS NE2 . 3.320 3.720 3.431 3.319 3.638 0.001 13 0 "[ . 1 . 2]" 1
9 1 13 CYS SG 1 33 HIS NE2 . 3.320 3.720 3.627 3.397 3.721 0.001 8 0 "[ . 1 . 2]" 1
10 1 16 CYS SG 1 29 HIS NE2 . 3.320 3.720 3.477 3.319 3.720 0.001 12 0 "[ . 1 . 2]" 1
11 1 16 CYS SG 1 33 HIS NE2 . 3.320 3.720 3.423 3.320 3.654 0.000 16 0 "[ . 1 . 2]" 1
12 1 29 HIS NE2 1 33 HIS NE2 . 3.000 3.600 3.302 3.004 3.586 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 756
_Distance_constraint_stats_list.Viol_count 279
_Distance_constraint_stats_list.Viol_total 52.950
_Distance_constraint_stats_list.Viol_max 0.082
_Distance_constraint_stats_list.Viol_rms 0.0022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_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 8 GLU 0.007 0.007 15 0 "[ . 1 . 2]"
1 9 LYS 0.700 0.082 20 0 "[ . 1 . 2]"
1 10 PRO 0.906 0.082 20 0 "[ . 1 . 2]"
1 11 TYR 0.284 0.046 14 0 "[ . 1 . 2]"
1 12 GLU 0.349 0.053 20 0 "[ . 1 . 2]"
1 13 CYS 0.082 0.019 17 0 "[ . 1 . 2]"
1 14 THR 0.150 0.052 19 0 "[ . 1 . 2]"
1 15 ASP 0.275 0.036 20 0 "[ . 1 . 2]"
1 16 CYS 0.041 0.023 10 0 "[ . 1 . 2]"
1 17 GLY 0.114 0.053 20 0 "[ . 1 . 2]"
1 18 LYS 0.047 0.027 20 0 "[ . 1 . 2]"
1 19 ALA 0.081 0.028 20 0 "[ . 1 . 2]"
1 20 PHE 0.099 0.011 19 0 "[ . 1 . 2]"
1 21 GLY 0.013 0.009 20 0 "[ . 1 . 2]"
1 22 LEU 0.539 0.045 19 0 "[ . 1 . 2]"
1 23 LYS 0.099 0.019 7 0 "[ . 1 . 2]"
1 24 SER 0.445 0.045 19 0 "[ . 1 . 2]"
1 25 GLN 0.201 0.026 19 0 "[ . 1 . 2]"
1 26 LEU 0.087 0.012 19 0 "[ . 1 . 2]"
1 27 ILE 0.032 0.008 19 0 "[ . 1 . 2]"
1 28 ILE 0.037 0.010 16 0 "[ . 1 . 2]"
1 29 HIS 0.062 0.023 16 0 "[ . 1 . 2]"
1 30 GLN 0.042 0.013 16 0 "[ . 1 . 2]"
1 31 ARG 0.024 0.013 16 0 "[ . 1 . 2]"
1 32 THR 0.062 0.023 16 0 "[ . 1 . 2]"
1 33 HIS 0.009 0.005 16 0 "[ . 1 . 2]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 0.125 0.045 11 0 "[ . 1 . 2]"
1 39 PRO 0.125 0.045 11 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 17 GLY H . . 4.790 4.026 3.833 4.201 . 0 0 "[ . 1 . 2]" 2
2 1 15 ASP H 1 17 GLY H . . 4.130 3.379 2.844 4.088 . 0 0 "[ . 1 . 2]" 2
3 1 17 GLY H 1 17 GLY HA2 . . 2.880 2.476 2.433 2.527 . 0 0 "[ . 1 . 2]" 2
4 1 13 CYS HB3 1 17 GLY H . . 3.530 2.320 2.008 2.511 . 0 0 "[ . 1 . 2]" 2
5 1 12 GLU QB 1 17 GLY H . . 5.500 5.257 4.838 5.524 0.024 17 0 "[ . 1 . 2]" 2
6 1 15 ASP HB2 1 17 GLY H . . 5.500 4.911 4.528 5.312 . 0 0 "[ . 1 . 2]" 2
7 1 24 SER H 1 26 LEU H . . 4.900 3.991 3.817 4.094 . 0 0 "[ . 1 . 2]" 2
8 1 26 LEU H 1 27 ILE H . . 3.190 2.499 2.341 2.585 . 0 0 "[ . 1 . 2]" 2
9 1 25 GLN H 1 26 LEU H . . 3.100 2.594 2.536 2.655 . 0 0 "[ . 1 . 2]" 2
10 1 24 SER HA 1 26 LEU H . . 4.450 3.941 3.656 4.043 . 0 0 "[ . 1 . 2]" 2
11 1 23 LYS HA 1 26 LEU H . . 3.860 3.735 3.649 3.865 0.005 19 0 "[ . 1 . 2]" 2
12 1 25 GLN HB2 1 26 LEU H . . 3.470 3.004 2.925 3.169 . 0 0 "[ . 1 . 2]" 2
13 1 26 LEU H 1 26 LEU HB3 . . 3.050 2.283 2.264 2.305 . 0 0 "[ . 1 . 2]" 2
14 1 26 LEU H 1 27 ILE HB . . 4.730 4.628 4.532 4.690 . 0 0 "[ . 1 . 2]" 2
15 1 26 LEU H 1 26 LEU HG . . 4.630 4.269 4.205 4.305 . 0 0 "[ . 1 . 2]" 2
16 1 26 LEU H 1 27 ILE HG13 . . 4.900 4.035 3.868 4.162 . 0 0 "[ . 1 . 2]" 2
17 1 26 LEU H 1 26 LEU HB2 . . 3.240 2.866 2.816 2.990 . 0 0 "[ . 1 . 2]" 2
18 1 26 LEU H 1 26 LEU MD2 . . 4.280 4.191 4.128 4.229 . 0 0 "[ . 1 . 2]" 2
19 1 8 GLU HA 1 9 LYS H . . 3.210 2.268 2.138 2.704 . 0 0 "[ . 1 . 2]" 2
20 1 9 LYS H 1 10 PRO HD3 . . 4.710 4.139 3.817 4.542 . 0 0 "[ . 1 . 2]" 2
21 1 8 GLU HG2 1 9 LYS H . . 5.500 4.445 2.809 5.361 . 0 0 "[ . 1 . 2]" 2
22 1 8 GLU HB2 1 9 LYS H . . 4.970 3.975 2.340 4.581 . 0 0 "[ . 1 . 2]" 2
23 1 8 GLU HB3 1 9 LYS H . . 4.970 3.658 2.182 4.435 . 0 0 "[ . 1 . 2]" 2
24 1 9 LYS H 1 9 LYS HB2 . . 3.760 2.634 2.461 2.815 . 0 0 "[ . 1 . 2]" 2
25 1 9 LYS H 1 9 LYS HG3 . . 4.580 2.528 1.891 3.000 . 0 0 "[ . 1 . 2]" 2
26 1 9 LYS H 1 9 LYS HG2 . . 4.580 3.845 3.238 4.321 . 0 0 "[ . 1 . 2]" 2
27 1 26 LEU MD2 1 30 GLN HE21 . . 4.200 2.725 2.223 3.279 . 0 0 "[ . 1 . 2]" 2
28 1 13 CYS HA 1 30 GLN HE21 . . 4.740 3.270 2.155 4.715 . 0 0 "[ . 1 . 2]" 2
29 1 26 LEU MD2 1 30 GLN HE22 . . 4.180 3.281 2.560 4.142 . 0 0 "[ . 1 . 2]" 2
30 1 24 SER H 1 24 SER QB . . 3.310 2.271 2.166 2.330 . 0 0 "[ . 1 . 2]" 2
31 1 36 GLU H 1 36 GLU QG . . 4.540 3.622 2.080 4.479 . 0 0 "[ . 1 . 2]" 2
32 1 22 LEU HB3 1 24 SER H . . 3.800 2.437 2.358 2.546 . 0 0 "[ . 1 . 2]" 2
33 1 23 LYS HB3 1 24 SER H . . 3.770 2.926 2.829 3.023 . 0 0 "[ . 1 . 2]" 2
34 1 23 LYS HB2 1 24 SER H . . 4.280 4.118 4.073 4.183 . 0 0 "[ . 1 . 2]" 2
35 1 22 LEU MD1 1 25 GLN HE21 . . 4.430 2.853 2.310 4.449 0.019 19 0 "[ . 1 . 2]" 2
36 1 22 LEU MD1 1 25 GLN HE22 . . 4.430 4.058 3.789 4.408 . 0 0 "[ . 1 . 2]" 2
37 1 34 THR H 1 35 GLY H . . 4.440 3.541 2.033 4.440 . 0 0 "[ . 1 . 2]" 2
38 1 31 ARG HA 1 34 THR H . . 4.720 3.569 3.266 4.398 . 0 0 "[ . 1 . 2]" 2
39 1 33 HIS HB2 1 34 THR H . . 4.070 2.686 2.182 4.070 . 0 0 "[ . 1 . 2]" 2
40 1 34 THR H 1 34 THR MG . . 3.940 2.422 1.905 3.077 . 0 0 "[ . 1 . 2]" 2
41 1 29 HIS HB3 1 30 GLN H . . 3.490 2.566 2.475 2.666 . 0 0 "[ . 1 . 2]" 2
42 1 30 GLN H 1 30 GLN HG3 . . 3.220 2.469 2.224 3.225 0.005 13 0 "[ . 1 . 2]" 2
43 1 30 GLN H 1 30 GLN HB2 . . 3.210 2.430 2.333 2.593 . 0 0 "[ . 1 . 2]" 2
44 1 30 GLN H 1 30 GLN HB3 . . 3.700 3.584 3.566 3.601 . 0 0 "[ . 1 . 2]" 2
45 1 30 GLN H 1 31 ARG HG3 . . 4.810 4.280 3.940 4.444 . 0 0 "[ . 1 . 2]" 2
46 1 28 ILE HB 1 30 GLN H . . 5.500 5.336 5.196 5.484 . 0 0 "[ . 1 . 2]" 2
47 1 30 GLN H 1 31 ARG HG2 . . 5.500 5.378 5.150 5.500 . 0 0 "[ . 1 . 2]" 2
48 1 27 ILE MG 1 30 GLN H . . 4.900 4.763 4.659 4.854 . 0 0 "[ . 1 . 2]" 2
49 1 8 GLU H 1 8 GLU HG2 . . 5.140 3.736 2.060 4.827 . 0 0 "[ . 1 . 2]" 2
50 1 8 GLU H 1 8 GLU HG3 . . 5.140 3.753 2.502 4.971 . 0 0 "[ . 1 . 2]" 2
51 1 27 ILE H 1 29 HIS H . . 4.830 4.118 4.038 4.208 . 0 0 "[ . 1 . 2]" 2
52 1 29 HIS H 1 30 GLN H . . 3.360 2.653 2.543 2.736 . 0 0 "[ . 1 . 2]" 2
53 1 25 GLN HA 1 29 HIS H . . 4.830 4.655 4.496 4.771 . 0 0 "[ . 1 . 2]" 2
54 1 27 ILE HA 1 29 HIS H . . 4.680 4.234 4.115 4.379 . 0 0 "[ . 1 . 2]" 2
55 1 26 LEU HA 1 29 HIS H . . 3.790 3.321 3.228 3.466 . 0 0 "[ . 1 . 2]" 2
56 1 29 HIS H 1 29 HIS HB3 . . 2.960 2.258 2.201 2.300 . 0 0 "[ . 1 . 2]" 2
57 1 29 HIS H 1 29 HIS HB2 . . 3.100 2.875 2.800 2.955 . 0 0 "[ . 1 . 2]" 2
58 1 28 ILE HB 1 29 HIS H . . 3.240 2.809 2.705 2.921 . 0 0 "[ . 1 . 2]" 2
59 1 28 ILE HG13 1 29 HIS H . . 4.540 4.323 4.239 4.404 . 0 0 "[ . 1 . 2]" 2
60 1 26 LEU MD1 1 29 HIS H . . 4.510 4.233 4.010 4.392 . 0 0 "[ . 1 . 2]" 2
61 1 28 ILE MG 1 29 HIS H . . 3.760 3.556 3.461 3.670 . 0 0 "[ . 1 . 2]" 2
62 1 24 SER H 1 25 GLN H . . 3.850 2.377 2.318 2.429 . 0 0 "[ . 1 . 2]" 2
63 1 25 GLN H 1 27 ILE H . . 4.450 4.364 4.309 4.428 . 0 0 "[ . 1 . 2]" 2
64 1 23 LYS HA 1 25 GLN H . . 4.640 4.279 4.179 4.500 . 0 0 "[ . 1 . 2]" 2
65 1 27 ILE H 1 30 GLN HG3 . . 5.280 4.911 4.449 5.275 . 0 0 "[ . 1 . 2]" 2
66 1 25 GLN H 1 25 GLN HB2 . . 3.020 2.276 2.243 2.428 . 0 0 "[ . 1 . 2]" 2
67 1 26 LEU HB3 1 27 ILE H . . 3.330 2.497 2.411 2.588 . 0 0 "[ . 1 . 2]" 2
68 1 25 GLN H 1 25 GLN HB3 . . 3.760 3.541 3.528 3.581 . 0 0 "[ . 1 . 2]" 2
69 1 27 ILE H 1 27 ILE HB . . 2.940 2.616 2.579 2.644 . 0 0 "[ . 1 . 2]" 2
70 1 22 LEU HB3 1 25 GLN H . . 3.450 2.431 2.327 2.473 . 0 0 "[ . 1 . 2]" 2
71 1 27 ILE H 1 27 ILE HG13 . . 3.080 1.943 1.899 2.003 . 0 0 "[ . 1 . 2]" 2
72 1 22 LEU HB2 1 25 GLN H . . 3.360 2.990 2.867 3.033 . 0 0 "[ . 1 . 2]" 2
73 1 27 ILE H 1 27 ILE HG12 . . 3.470 3.401 3.362 3.463 . 0 0 "[ . 1 . 2]" 2
74 1 26 LEU MD2 1 27 ILE H . . 4.040 3.940 3.818 4.041 0.001 19 0 "[ . 1 . 2]" 2
75 1 20 PHE QD 1 25 GLN H . . 5.500 5.155 4.978 5.285 . 0 0 "[ . 1 . 2]" 2
76 1 25 GLN H 1 28 ILE H . . 5.500 5.035 4.982 5.107 . 0 0 "[ . 1 . 2]" 2
77 1 24 SER HA 1 27 ILE H . . 3.830 3.375 3.194 3.481 . 0 0 "[ . 1 . 2]" 2
78 1 23 LYS HA 1 27 ILE H . . 4.590 4.480 4.393 4.580 . 0 0 "[ . 1 . 2]" 2
79 1 26 LEU HB2 1 27 ILE H . . 3.950 3.892 3.837 3.952 0.002 19 0 "[ . 1 . 2]" 2
80 1 22 LEU MD2 1 25 GLN H . . 4.740 4.514 4.434 4.562 . 0 0 "[ . 1 . 2]" 2
81 1 28 ILE H 1 29 HIS HB2 . . 5.500 5.335 5.223 5.496 . 0 0 "[ . 1 . 2]" 2
82 1 27 ILE H 1 28 ILE H . . 3.420 2.870 2.793 2.950 . 0 0 "[ . 1 . 2]" 2
83 1 24 SER HA 1 28 ILE H . . 4.470 4.022 3.892 4.117 . 0 0 "[ . 1 . 2]" 2
84 1 28 ILE H 1 28 ILE HB . . 2.750 2.515 2.478 2.558 . 0 0 "[ . 1 . 2]" 2
85 1 27 ILE HG13 1 28 ILE H . . 4.530 4.202 4.161 4.244 . 0 0 "[ . 1 . 2]" 2
86 1 28 ILE H 1 28 ILE HG13 . . 3.550 2.151 2.033 2.244 . 0 0 "[ . 1 . 2]" 2
87 1 27 ILE MG 1 28 ILE H . . 3.570 3.431 3.276 3.541 . 0 0 "[ . 1 . 2]" 2
88 1 32 THR H 1 33 HIS H . . 3.150 2.736 2.636 2.825 . 0 0 "[ . 1 . 2]" 2
89 1 32 THR H 1 32 THR HB . . 3.750 2.879 2.299 3.615 . 0 0 "[ . 1 . 2]" 2
90 1 31 ARG HG3 1 32 THR H . . 4.330 4.219 4.028 4.331 0.001 13 0 "[ . 1 . 2]" 2
91 1 31 ARG HB2 1 32 THR H . . 4.050 2.510 2.299 2.805 . 0 0 "[ . 1 . 2]" 2
92 1 11 TYR H 1 19 ALA HA . . 5.220 5.024 4.710 5.159 . 0 0 "[ . 1 . 2]" 2
93 1 11 TYR H 1 20 PHE H . . 3.770 3.512 3.364 3.653 . 0 0 "[ . 1 . 2]" 2
94 1 11 TYR H 1 12 GLU H . . 4.630 4.409 4.270 4.488 . 0 0 "[ . 1 . 2]" 2
95 1 9 LYS HA 1 11 TYR H . . 4.600 3.316 3.256 3.465 . 0 0 "[ . 1 . 2]" 2
96 1 10 PRO HD2 1 11 TYR H . . 3.620 2.861 2.763 3.043 . 0 0 "[ . 1 . 2]" 2
97 1 11 TYR H 1 11 TYR HB3 . . 3.830 3.741 3.707 3.787 . 0 0 "[ . 1 . 2]" 2
98 1 11 TYR H 1 11 TYR HB2 . . 3.180 2.644 2.605 2.681 . 0 0 "[ . 1 . 2]" 2
99 1 10 PRO HG3 1 11 TYR H . . 4.860 4.411 4.264 4.634 . 0 0 "[ . 1 . 2]" 2
100 1 10 PRO HG2 1 11 TYR H . . 4.060 3.076 2.881 3.368 . 0 0 "[ . 1 . 2]" 2
101 1 10 PRO HB2 1 11 TYR H . . 4.140 3.814 3.697 3.975 . 0 0 "[ . 1 . 2]" 2
102 1 11 TYR H 1 26 LEU MD2 . . 5.170 5.050 4.895 5.171 0.001 6 0 "[ . 1 . 2]" 2
103 1 33 HIS H 1 34 THR H . . 3.510 2.658 2.393 2.889 . 0 0 "[ . 1 . 2]" 2
104 1 11 TYR H 1 11 TYR QE . . 4.790 4.441 4.279 4.665 . 0 0 "[ . 1 . 2]" 2
105 1 33 HIS H 1 33 HIS HD2 . . 4.090 3.534 3.227 3.999 . 0 0 "[ . 1 . 2]" 2
106 1 32 THR HB 1 33 HIS H . . 4.480 3.946 3.775 4.387 . 0 0 "[ . 1 . 2]" 2
107 1 30 GLN HA 1 33 HIS H . . 4.030 3.439 3.292 3.656 . 0 0 "[ . 1 . 2]" 2
108 1 33 HIS H 1 33 HIS HB2 . . 3.100 2.332 2.195 2.498 . 0 0 "[ . 1 . 2]" 2
109 1 31 ARG HA 1 33 HIS H . . 4.250 3.976 3.465 4.250 . 0 0 "[ . 1 . 2]" 2
110 1 22 LEU HB3 1 23 LYS H . . 3.760 2.476 2.325 2.747 . 0 0 "[ . 1 . 2]" 2
111 1 23 LYS H 1 23 LYS HB3 . . 3.250 2.366 2.325 2.410 . 0 0 "[ . 1 . 2]" 2
112 1 23 LYS H 1 23 LYS HG3 . . 4.690 4.304 4.274 4.342 . 0 0 "[ . 1 . 2]" 2
113 1 23 LYS H 1 23 LYS HB2 . . 3.160 2.854 2.801 2.897 . 0 0 "[ . 1 . 2]" 2
114 1 11 TYR QD 1 23 LYS H . . 4.770 4.589 4.351 4.755 . 0 0 "[ . 1 . 2]" 2
115 1 13 CYS H 1 20 PHE H . . 5.250 5.170 4.917 5.254 0.004 20 0 "[ . 1 . 2]" 2
116 1 13 CYS H 1 20 PHE QE . . 4.440 3.456 3.156 3.799 . 0 0 "[ . 1 . 2]" 2
117 1 13 CYS H 1 17 GLY HA2 . . 5.020 4.018 3.732 4.315 . 0 0 "[ . 1 . 2]" 2
118 1 13 CYS H 1 18 LYS HB2 . . 4.840 3.916 3.137 4.450 . 0 0 "[ . 1 . 2]" 2
119 1 12 GLU H 1 13 CYS H . . 4.720 4.394 4.330 4.487 . 0 0 "[ . 1 . 2]" 2
120 1 13 CYS H 1 20 PHE QD . . 4.610 3.772 3.425 3.959 . 0 0 "[ . 1 . 2]" 2
121 1 13 CYS H 1 19 ALA HA . . 3.650 3.397 3.214 3.565 . 0 0 "[ . 1 . 2]" 2
122 1 13 CYS H 1 13 CYS HB3 . . 3.050 2.560 2.402 2.748 . 0 0 "[ . 1 . 2]" 2
123 1 12 GLU HG3 1 13 CYS H . . 4.250 3.574 3.132 4.172 . 0 0 "[ . 1 . 2]" 2
124 1 12 GLU QB 1 13 CYS H . . 3.710 3.001 2.799 3.499 . 0 0 "[ . 1 . 2]" 2
125 1 13 CYS H 1 18 LYS HB3 . . 4.150 3.657 3.257 4.141 . 0 0 "[ . 1 . 2]" 2
126 1 31 ARG H 1 32 THR H . . 3.320 2.750 2.668 2.832 . 0 0 "[ . 1 . 2]" 2
127 1 29 HIS H 1 31 ARG H . . 4.790 3.896 3.831 3.934 . 0 0 "[ . 1 . 2]" 2
128 1 28 ILE HA 1 31 ARG H . . 4.310 3.831 3.757 3.882 . 0 0 "[ . 1 . 2]" 2
129 1 27 ILE MG 1 31 ARG H . . 5.040 4.766 4.519 4.934 . 0 0 "[ . 1 . 2]" 2
130 1 30 GLN H 1 31 ARG H . . 3.330 2.790 2.731 2.834 . 0 0 "[ . 1 . 2]" 2
131 1 29 HIS HB2 1 31 ARG H . . 5.390 5.352 5.306 5.391 0.001 20 0 "[ . 1 . 2]" 2
132 1 30 GLN HB2 1 31 ARG H . . 3.950 3.138 3.054 3.251 . 0 0 "[ . 1 . 2]" 2
133 1 30 GLN HB3 1 31 ARG H . . 4.160 3.894 3.742 4.006 . 0 0 "[ . 1 . 2]" 2
134 1 31 ARG H 1 31 ARG HB2 . . 3.000 2.535 2.504 2.589 . 0 0 "[ . 1 . 2]" 2
135 1 31 ARG H 1 31 ARG HG2 . . 3.560 3.090 2.910 3.315 . 0 0 "[ . 1 . 2]" 2
136 1 31 ARG H 1 32 THR MG . . 4.480 4.060 3.902 4.208 . 0 0 "[ . 1 . 2]" 2
137 1 20 PHE HB3 1 21 GLY H . . 4.380 3.404 3.123 3.640 . 0 0 "[ . 1 . 2]" 2
138 1 20 PHE HB2 1 21 GLY H . . 4.850 4.218 4.056 4.342 . 0 0 "[ . 1 . 2]" 2
139 1 21 GLY H 1 22 LEU H . . 3.840 2.694 2.567 2.794 . 0 0 "[ . 1 . 2]" 2
140 1 22 LEU H 1 23 LYS H . . 4.860 4.505 4.467 4.526 . 0 0 "[ . 1 . 2]" 2
141 1 20 PHE QD 1 22 LEU H . . 4.760 4.548 4.455 4.622 . 0 0 "[ . 1 . 2]" 2
142 1 11 TYR QD 1 22 LEU H . . 4.390 3.946 3.714 4.145 . 0 0 "[ . 1 . 2]" 2
143 1 22 LEU H 1 25 GLN H . . 4.450 4.349 4.234 4.414 . 0 0 "[ . 1 . 2]" 2
144 1 20 PHE HA 1 22 LEU H . . 4.320 3.618 3.483 3.778 . 0 0 "[ . 1 . 2]" 2
145 1 21 GLY HA3 1 22 LEU H . . 3.520 3.086 3.006 3.221 . 0 0 "[ . 1 . 2]" 2
146 1 20 PHE HB3 1 22 LEU H . . 3.380 2.738 2.597 2.845 . 0 0 "[ . 1 . 2]" 2
147 1 20 PHE HB2 1 22 LEU H . . 3.850 3.551 3.359 3.694 . 0 0 "[ . 1 . 2]" 2
148 1 22 LEU H 1 25 GLN HB2 . . 3.540 2.924 2.846 2.974 . 0 0 "[ . 1 . 2]" 2
149 1 22 LEU H 1 25 GLN HB3 . . 4.270 4.181 4.100 4.277 0.007 14 0 "[ . 1 . 2]" 2
150 1 22 LEU H 1 22 LEU HB2 . . 3.280 2.358 2.292 2.473 . 0 0 "[ . 1 . 2]" 2
151 1 22 LEU H 1 22 LEU MD2 . . 4.220 3.967 3.916 4.023 . 0 0 "[ . 1 . 2]" 2
152 1 19 ALA H 1 20 PHE H . . 4.750 4.418 4.357 4.459 . 0 0 "[ . 1 . 2]" 2
153 1 11 TYR QD 1 20 PHE H . . 4.940 4.485 4.340 4.709 . 0 0 "[ . 1 . 2]" 2
154 1 20 PHE H 1 20 PHE QE . . 5.100 4.950 4.785 5.089 . 0 0 "[ . 1 . 2]" 2
155 1 19 ALA HA 1 20 PHE H . . 2.810 2.295 2.228 2.370 . 0 0 "[ . 1 . 2]" 2
156 1 20 PHE H 1 20 PHE HB3 . . 4.100 3.946 3.892 3.990 . 0 0 "[ . 1 . 2]" 2
157 1 11 TYR HB2 1 20 PHE H . . 4.000 3.108 2.900 3.289 . 0 0 "[ . 1 . 2]" 2
158 1 20 PHE H 1 20 PHE HB2 . . 3.350 2.942 2.840 3.029 . 0 0 "[ . 1 . 2]" 2
159 1 9 LYS HB3 1 20 PHE H . . 4.080 2.280 2.055 2.483 . 0 0 "[ . 1 . 2]" 2
160 1 19 ALA MB 1 20 PHE H . . 3.320 2.644 2.486 2.873 . 0 0 "[ . 1 . 2]" 2
161 1 12 GLU HG3 1 20 PHE H . . 4.780 4.171 3.849 4.728 . 0 0 "[ . 1 . 2]" 2
162 1 13 CYS HA 1 14 THR H . . 3.510 2.143 2.138 2.173 . 0 0 "[ . 1 . 2]" 2
163 1 14 THR H 1 14 THR MG . . 4.210 2.520 2.332 2.767 . 0 0 "[ . 1 . 2]" 2
164 1 14 THR H 1 26 LEU MD1 . . 4.910 3.777 3.285 4.117 . 0 0 "[ . 1 . 2]" 2
165 1 11 TYR HB2 1 12 GLU H . . 4.430 4.102 3.924 4.252 . 0 0 "[ . 1 . 2]" 2
166 1 11 TYR HA 1 12 GLU H . . 2.790 2.161 2.138 2.206 . 0 0 "[ . 1 . 2]" 2
167 1 12 GLU H 1 12 GLU QB . . 3.150 2.544 2.437 2.637 . 0 0 "[ . 1 . 2]" 2
168 1 12 GLU H 1 26 LEU MD2 . . 3.920 2.923 2.587 3.230 . 0 0 "[ . 1 . 2]" 2
169 1 15 ASP H 1 16 CYS H . . 3.120 2.247 1.847 2.887 . 0 0 "[ . 1 . 2]" 2
170 1 13 CYS HB3 1 16 CYS H . . 3.560 2.992 2.582 3.310 . 0 0 "[ . 1 . 2]" 2
171 1 15 ASP HB3 1 16 CYS H . . 3.430 2.914 2.140 3.438 0.008 20 0 "[ . 1 . 2]" 2
172 1 15 ASP HB2 1 16 CYS H . . 3.820 3.156 2.665 3.620 . 0 0 "[ . 1 . 2]" 2
173 1 13 CYS H 1 16 CYS H . . 5.500 5.222 5.024 5.356 . 0 0 "[ . 1 . 2]" 2
174 1 16 CYS H 1 17 GLY HA3 . . 5.500 4.627 4.521 4.784 . 0 0 "[ . 1 . 2]" 2
175 1 16 CYS H 1 16 CYS HB3 . . 3.600 3.122 2.909 3.251 . 0 0 "[ . 1 . 2]" 2
176 1 18 LYS HB3 1 19 ALA H . . 3.180 2.578 1.970 3.134 . 0 0 "[ . 1 . 2]" 2
177 1 18 LYS HG3 1 19 ALA H . . 4.520 3.471 2.456 4.513 . 0 0 "[ . 1 . 2]" 2
178 1 16 CYS HA 1 18 LYS H . . 5.080 4.941 4.657 5.064 . 0 0 "[ . 1 . 2]" 2
179 1 13 CYS H 1 18 LYS H . . 4.300 3.260 3.055 3.652 . 0 0 "[ . 1 . 2]" 2
180 1 14 THR H 1 15 ASP H . . 3.950 2.762 2.405 3.050 . 0 0 "[ . 1 . 2]" 2
181 1 17 GLY H 1 18 LYS H . . 3.580 1.954 1.841 2.177 . 0 0 "[ . 1 . 2]" 2
182 1 13 CYS HB3 1 18 LYS H . . 3.360 2.020 1.901 2.427 . 0 0 "[ . 1 . 2]" 2
183 1 13 CYS HB2 1 18 LYS H . . 3.810 3.410 3.094 3.678 . 0 0 "[ . 1 . 2]" 2
184 1 18 LYS H 1 18 LYS HB2 . . 3.020 2.215 2.164 2.323 . 0 0 "[ . 1 . 2]" 2
185 1 18 LYS H 1 18 LYS HB3 . . 3.530 3.188 2.810 3.528 . 0 0 "[ . 1 . 2]" 2
186 1 13 CYS HB2 1 15 ASP H . . 4.850 4.402 4.300 4.611 . 0 0 "[ . 1 . 2]" 2
187 1 15 ASP H 1 15 ASP HB2 . . 3.050 2.416 2.200 2.845 . 0 0 "[ . 1 . 2]" 2
188 1 28 ILE H 1 29 HIS H . . 3.270 2.626 2.522 2.750 . 0 0 "[ . 1 . 2]" 2
189 1 16 CYS H 1 17 GLY H . . 2.790 1.953 1.797 2.156 . 0 0 "[ . 1 . 2]" 2
190 1 27 ILE HB 1 28 ILE H . . 3.340 2.516 2.366 2.636 . 0 0 "[ . 1 . 2]" 2
191 1 31 ARG H 1 31 ARG HG3 . . 2.970 2.248 2.036 2.371 . 0 0 "[ . 1 . 2]" 2
192 1 18 LYS H 1 20 PHE QE . . 5.000 4.366 4.020 4.793 . 0 0 "[ . 1 . 2]" 2
193 1 20 PHE QE 1 29 HIS HE1 . . 5.500 5.003 4.779 5.275 . 0 0 "[ . 1 . 2]" 2
194 1 19 ALA HA 1 20 PHE QE . . 4.500 4.181 3.915 4.440 . 0 0 "[ . 1 . 2]" 2
195 1 13 CYS HA 1 20 PHE QE . . 4.560 4.384 4.121 4.550 . 0 0 "[ . 1 . 2]" 2
196 1 20 PHE QE 1 29 HIS HA . . 5.020 4.933 4.820 5.021 0.001 17 0 "[ . 1 . 2]" 2
197 1 13 CYS HB3 1 20 PHE QE . . 3.960 3.599 3.200 3.916 . 0 0 "[ . 1 . 2]" 2
198 1 20 PHE QE 1 29 HIS HB3 . . 4.150 3.409 3.244 3.525 . 0 0 "[ . 1 . 2]" 2
199 1 13 CYS HB2 1 20 PHE QE . . 3.450 2.337 2.177 2.518 . 0 0 "[ . 1 . 2]" 2
200 1 20 PHE QE 1 25 GLN HB3 . . 4.480 3.892 3.799 3.942 . 0 0 "[ . 1 . 2]" 2
201 1 18 LYS HB2 1 20 PHE QE . . 4.030 3.043 2.395 3.677 . 0 0 "[ . 1 . 2]" 2
202 1 18 LYS HB3 1 20 PHE QE . . 3.690 2.157 2.000 2.390 . 0 0 "[ . 1 . 2]" 2
203 1 19 ALA H 1 20 PHE QE . . 4.790 3.809 3.447 4.140 . 0 0 "[ . 1 . 2]" 2
204 1 20 PHE QE 1 29 HIS H . . 5.490 4.822 4.576 5.002 . 0 0 "[ . 1 . 2]" 2
205 1 20 PHE HB3 1 21 GLY HA3 . . 5.390 5.131 4.982 5.248 . 0 0 "[ . 1 . 2]" 2
206 1 9 LYS HB2 1 21 GLY HA2 . . 5.110 4.325 4.055 4.551 . 0 0 "[ . 1 . 2]" 2
207 1 10 PRO HG2 1 21 GLY HA2 . . 5.500 4.319 4.136 4.490 . 0 0 "[ . 1 . 2]" 2
208 1 20 PHE HA 1 21 GLY HA3 . . 4.700 4.383 4.380 4.390 . 0 0 "[ . 1 . 2]" 2
209 1 9 LYS HA 1 21 GLY HA2 . . 3.500 2.082 1.997 2.371 . 0 0 "[ . 1 . 2]" 2
210 1 9 LYS HA 1 21 GLY HA3 . . 3.940 3.603 3.508 3.827 . 0 0 "[ . 1 . 2]" 2
211 1 12 GLU HG2 1 17 GLY HA2 . . 4.980 4.487 2.659 4.977 . 0 0 "[ . 1 . 2]" 2
212 1 21 GLY HA3 1 22 LEU HG . . 4.700 4.425 4.349 4.475 . 0 0 "[ . 1 . 2]" 2
213 1 21 GLY HA3 1 22 LEU HB2 . . 5.500 4.751 4.711 4.776 . 0 0 "[ . 1 . 2]" 2
214 1 9 LYS HB3 1 21 GLY HA2 . . 5.080 3.023 2.631 3.344 . 0 0 "[ . 1 . 2]" 2
215 1 16 CYS H 1 17 GLY HA2 . . 4.460 4.155 4.050 4.323 . 0 0 "[ . 1 . 2]" 2
216 1 16 CYS HA 1 17 GLY HA3 . . 4.840 4.530 4.516 4.548 . 0 0 "[ . 1 . 2]" 2
217 1 12 GLU QB 1 17 GLY HA3 . . 5.500 5.215 4.674 5.507 0.007 19 0 "[ . 1 . 2]" 2
218 1 22 LEU HB2 1 23 LYS H . . 4.760 3.869 3.765 4.046 . 0 0 "[ . 1 . 2]" 2
219 1 22 LEU HB2 1 24 SER H . . 5.190 4.022 3.931 4.158 . 0 0 "[ . 1 . 2]" 2
220 1 22 LEU H 1 22 LEU HB3 . . 3.900 3.538 3.509 3.592 . 0 0 "[ . 1 . 2]" 2
221 1 22 LEU HB2 1 26 LEU H . . 4.840 4.761 4.709 4.806 . 0 0 "[ . 1 . 2]" 2
222 1 22 LEU HB2 1 25 GLN HG3 . . 3.510 2.104 2.000 2.181 . 0 0 "[ . 1 . 2]" 2
223 1 22 LEU HB3 1 26 LEU H . . 4.820 4.560 4.501 4.606 . 0 0 "[ . 1 . 2]" 2
224 1 22 LEU HB3 1 25 GLN HG3 . . 3.910 2.924 2.550 3.003 . 0 0 "[ . 1 . 2]" 2
225 1 27 ILE H 1 27 ILE MG . . 3.870 3.766 3.763 3.769 . 0 0 "[ . 1 . 2]" 2
226 1 28 ILE H 1 28 ILE MG . . 4.300 3.761 3.756 3.765 . 0 0 "[ . 1 . 2]" 2
227 1 24 SER HA 1 27 ILE MG . . 4.250 4.187 4.112 4.258 0.008 19 0 "[ . 1 . 2]" 2
228 1 28 ILE MG 1 29 HIS HB2 . . 4.780 4.602 4.449 4.777 . 0 0 "[ . 1 . 2]" 2
229 1 27 ILE MG 1 30 GLN HB2 . . 4.830 3.802 3.699 3.914 . 0 0 "[ . 1 . 2]" 2
230 1 27 ILE MG 1 31 ARG HG3 . . 4.670 3.864 3.641 4.173 . 0 0 "[ . 1 . 2]" 2
231 1 28 ILE HG12 1 28 ILE MG . . 3.110 2.240 2.146 2.322 . 0 0 "[ . 1 . 2]" 2
232 1 27 ILE HG13 1 27 ILE MG . . 3.260 3.167 3.148 3.183 . 0 0 "[ . 1 . 2]" 2
233 1 27 ILE HG12 1 27 ILE MG . . 3.100 2.157 2.079 2.304 . 0 0 "[ . 1 . 2]" 2
234 1 28 ILE HG13 1 28 ILE MG . . 3.190 3.173 3.151 3.193 0.003 16 0 "[ . 1 . 2]" 2
235 1 19 ALA H 1 20 PHE HZ . . 5.500 4.744 4.412 5.145 . 0 0 "[ . 1 . 2]" 2
236 1 20 PHE HZ 1 29 HIS H . . 5.500 5.132 4.939 5.272 . 0 0 "[ . 1 . 2]" 2
237 1 20 PHE HZ 1 29 HIS HD2 . . 4.510 3.436 3.163 3.742 . 0 0 "[ . 1 . 2]" 2
238 1 20 PHE HZ 1 26 LEU HA . . 4.860 3.995 3.871 4.140 . 0 0 "[ . 1 . 2]" 2
239 1 20 PHE HZ 1 29 HIS HB3 . . 4.110 3.116 2.885 3.303 . 0 0 "[ . 1 . 2]" 2
240 1 20 PHE HZ 1 29 HIS HB2 . . 3.630 2.685 2.491 2.787 . 0 0 "[ . 1 . 2]" 2
241 1 18 LYS HG2 1 20 PHE HZ . . 4.850 3.795 2.927 4.734 . 0 0 "[ . 1 . 2]" 2
242 1 18 LYS HB3 1 20 PHE HZ . . 3.930 3.079 2.898 3.272 . 0 0 "[ . 1 . 2]" 2
243 1 30 GLN H 1 33 HIS HD2 . . 5.160 4.516 4.300 4.719 . 0 0 "[ . 1 . 2]" 2
244 1 11 TYR H 1 20 PHE HB2 . . 4.890 4.872 4.794 4.901 0.011 19 0 "[ . 1 . 2]" 2
245 1 31 ARG H 1 31 ARG QD . . 4.110 3.970 3.694 4.074 . 0 0 "[ . 1 . 2]" 2
246 1 20 PHE HB3 1 26 LEU H . . 4.110 3.596 3.495 3.736 . 0 0 "[ . 1 . 2]" 2
247 1 20 PHE HB2 1 26 LEU H . . 4.010 3.515 3.415 3.677 . 0 0 "[ . 1 . 2]" 2
248 1 20 PHE HB3 1 25 GLN H . . 5.000 4.271 4.038 4.464 . 0 0 "[ . 1 . 2]" 2
249 1 19 ALA HA 1 20 PHE HB2 . . 4.590 4.515 4.476 4.563 . 0 0 "[ . 1 . 2]" 2
250 1 20 PHE HB3 1 23 LYS HA . . 5.500 5.427 5.297 5.497 . 0 0 "[ . 1 . 2]" 2
251 1 11 TYR HB3 1 20 PHE HB2 . . 3.990 3.676 3.564 3.771 . 0 0 "[ . 1 . 2]" 2
252 1 11 TYR HB2 1 20 PHE HB2 . . 3.660 2.727 2.609 2.829 . 0 0 "[ . 1 . 2]" 2
253 1 20 PHE HB3 1 25 GLN HB2 . . 3.370 2.333 2.038 2.523 . 0 0 "[ . 1 . 2]" 2
254 1 20 PHE HB2 1 25 GLN HB2 . . 3.850 3.627 3.455 3.838 . 0 0 "[ . 1 . 2]" 2
255 1 20 PHE HB2 1 25 GLN HB3 . . 4.270 4.104 3.925 4.276 0.006 19 0 "[ . 1 . 2]" 2
256 1 20 PHE HB3 1 25 GLN HB3 . . 3.740 2.611 2.447 2.767 . 0 0 "[ . 1 . 2]" 2
257 1 31 ARG HB3 1 31 ARG QD . . 2.940 2.478 2.066 2.693 . 0 0 "[ . 1 . 2]" 2
258 1 20 PHE HB3 1 22 LEU HB3 . . 5.090 4.965 4.843 5.090 . 0 0 "[ . 1 . 2]" 2
259 1 20 PHE HB2 1 22 LEU HB2 . . 5.500 5.059 4.893 5.277 . 0 0 "[ . 1 . 2]" 2
260 1 20 PHE HB2 1 26 LEU HG . . 5.500 5.232 5.083 5.381 . 0 0 "[ . 1 . 2]" 2
261 1 20 PHE HB3 1 22 LEU HB2 . . 4.760 3.914 3.789 4.026 . 0 0 "[ . 1 . 2]" 2
262 1 20 PHE HB3 1 26 LEU HB2 . . 4.260 3.538 3.348 3.699 . 0 0 "[ . 1 . 2]" 2
263 1 20 PHE HB2 1 26 LEU HB2 . . 3.840 2.219 2.070 2.368 . 0 0 "[ . 1 . 2]" 2
264 1 28 ILE HG13 1 31 ARG QD . . 4.660 4.436 4.111 4.648 . 0 0 "[ . 1 . 2]" 2
265 1 20 PHE HB2 1 26 LEU MD1 . . 4.220 3.758 3.642 3.900 . 0 0 "[ . 1 . 2]" 2
266 1 20 PHE HB3 1 26 LEU MD1 . . 4.910 4.787 4.672 4.908 . 0 0 "[ . 1 . 2]" 2
267 1 28 ILE MG 1 31 ARG QD . . 3.830 2.743 1.983 3.132 . 0 0 "[ . 1 . 2]" 2
268 1 15 ASP H 1 33 HIS HD2 . . 5.060 4.845 4.444 5.065 0.005 16 0 "[ . 1 . 2]" 2
269 1 29 HIS HD2 1 33 HIS HD2 . . 4.230 3.532 3.062 3.916 . 0 0 "[ . 1 . 2]" 2
270 1 33 HIS HB2 1 33 HIS HD2 . . 3.270 2.692 2.689 2.701 . 0 0 "[ . 1 . 2]" 2
271 1 30 GLN HG2 1 33 HIS HD2 . . 4.100 3.308 3.053 4.085 . 0 0 "[ . 1 . 2]" 2
272 1 30 GLN HB3 1 33 HIS HD2 . . 4.710 4.158 3.719 4.407 . 0 0 "[ . 1 . 2]" 2
273 1 15 ASP HB3 1 33 HIS HD2 . . 4.040 3.177 2.692 3.734 . 0 0 "[ . 1 . 2]" 2
274 1 13 CYS H 1 29 HIS HD2 . . 5.120 4.987 4.631 5.125 0.005 16 0 "[ . 1 . 2]" 2
275 1 29 HIS HD2 1 30 GLN H . . 4.130 3.246 2.849 3.400 . 0 0 "[ . 1 . 2]" 2
276 1 29 HIS H 1 29 HIS HD2 . . 5.150 4.715 4.549 4.811 . 0 0 "[ . 1 . 2]" 2
277 1 29 HIS HD2 1 30 GLN HE21 . . 5.500 4.827 4.216 5.397 . 0 0 "[ . 1 . 2]" 2
278 1 13 CYS HA 1 29 HIS HD2 . . 4.640 4.186 3.878 4.384 . 0 0 "[ . 1 . 2]" 2
279 1 29 HIS HA 1 29 HIS HD2 . . 4.970 4.680 4.566 4.773 . 0 0 "[ . 1 . 2]" 2
280 1 13 CYS HB3 1 29 HIS HD2 . . 4.000 3.713 3.281 4.002 0.002 13 0 "[ . 1 . 2]" 2
281 1 26 LEU HA 1 29 HIS HD2 . . 4.430 4.104 3.826 4.386 . 0 0 "[ . 1 . 2]" 2
282 1 29 HIS HB3 1 29 HIS HD2 . . 3.620 2.732 2.704 2.781 . 0 0 "[ . 1 . 2]" 2
283 1 13 CYS HB2 1 29 HIS HD2 . . 3.020 2.471 2.169 2.689 . 0 0 "[ . 1 . 2]" 2
284 1 29 HIS HD2 1 30 GLN HB2 . . 5.030 4.939 4.671 5.031 0.001 14 0 "[ . 1 . 2]" 2
285 1 29 HIS HD2 1 30 GLN HB3 . . 5.500 5.233 4.753 5.449 . 0 0 "[ . 1 . 2]" 2
286 1 26 LEU HG 1 29 HIS HD2 . . 5.070 4.650 4.279 5.001 . 0 0 "[ . 1 . 2]" 2
287 1 18 LYS HE3 1 29 HIS HE1 . . 5.500 3.808 2.685 4.985 . 0 0 "[ . 1 . 2]" 2
288 1 18 LYS HE2 1 29 HIS HE1 . . 5.500 4.320 3.112 5.471 . 0 0 "[ . 1 . 2]" 2
289 1 9 LYS QE 1 9 LYS HG2 . . 3.650 2.672 2.143 3.491 . 0 0 "[ . 1 . 2]" 2
290 1 9 LYS QE 1 9 LYS HG3 . . 3.650 2.412 2.191 2.883 . 0 0 "[ . 1 . 2]" 2
291 1 23 LYS HE3 1 23 LYS HG2 . . 3.960 3.205 2.335 3.913 . 0 0 "[ . 1 . 2]" 2
292 1 23 LYS HE2 1 23 LYS HG2 . . 3.960 3.033 2.255 3.701 . 0 0 "[ . 1 . 2]" 2
293 1 23 LYS HE3 1 27 ILE MD . . 4.190 3.077 2.281 4.116 . 0 0 "[ . 1 . 2]" 2
294 1 34 THR HB 1 35 GLY H . . 5.040 3.810 1.987 4.447 . 0 0 "[ . 1 . 2]" 2
295 1 15 ASP H 1 15 ASP HB3 . . 3.570 3.271 2.815 3.606 0.036 20 0 "[ . 1 . 2]" 2
296 1 15 ASP HB2 1 33 HIS HD2 . . 4.280 3.036 2.361 3.660 . 0 0 "[ . 1 . 2]" 2
297 1 32 THR HA 1 32 THR HB . . 2.860 2.483 2.376 2.584 . 0 0 "[ . 1 . 2]" 2
298 1 15 ASP HB3 1 33 HIS HB3 . . 5.130 3.732 3.035 4.285 . 0 0 "[ . 1 . 2]" 2
299 1 28 ILE MD 1 29 HIS H . . 4.740 4.534 4.367 4.646 . 0 0 "[ . 1 . 2]" 2
300 1 28 ILE H 1 28 ILE MD . . 3.880 3.312 3.138 3.451 . 0 0 "[ . 1 . 2]" 2
301 1 27 ILE MD 1 28 ILE H . . 4.900 4.333 4.217 4.428 . 0 0 "[ . 1 . 2]" 2
302 1 26 LEU H 1 27 ILE MD . . 4.940 4.655 4.337 4.803 . 0 0 "[ . 1 . 2]" 2
303 1 25 GLN HA 1 28 ILE MD . . 3.480 2.740 2.472 3.044 . 0 0 "[ . 1 . 2]" 2
304 1 24 SER HA 1 27 ILE MD . . 3.430 2.176 1.975 2.540 . 0 0 "[ . 1 . 2]" 2
305 1 28 ILE HA 1 28 ILE MD . . 3.930 3.869 3.854 3.882 . 0 0 "[ . 1 . 2]" 2
306 1 28 ILE MD 1 31 ARG QD . . 4.960 4.789 4.564 4.960 0.000 17 0 "[ . 1 . 2]" 2
307 1 23 LYS HE2 1 27 ILE MD . . 4.190 3.126 2.109 4.121 . 0 0 "[ . 1 . 2]" 2
308 1 25 GLN HG2 1 28 ILE MD . . 4.730 3.861 3.696 4.043 . 0 0 "[ . 1 . 2]" 2
309 1 26 LEU HB3 1 27 ILE MD . . 4.940 4.600 4.458 4.708 . 0 0 "[ . 1 . 2]" 2
310 1 27 ILE HB 1 27 ILE MD . . 3.230 2.298 2.193 2.390 . 0 0 "[ . 1 . 2]" 2
311 1 28 ILE HB 1 28 ILE MD . . 3.020 2.238 2.148 2.400 . 0 0 "[ . 1 . 2]" 2
312 1 23 LYS HG3 1 27 ILE MD . . 3.250 2.126 1.976 2.406 . 0 0 "[ . 1 . 2]" 2
313 1 14 THR HB 1 15 ASP H . . 4.460 4.255 3.881 4.465 0.005 13 0 "[ . 1 . 2]" 2
314 1 20 PHE QE 1 26 LEU HB2 . . 5.140 4.009 3.832 4.164 . 0 0 "[ . 1 . 2]" 2
315 1 25 GLN H 1 26 LEU HB3 . . 4.930 4.639 4.552 4.713 . 0 0 "[ . 1 . 2]" 2
316 1 20 PHE QD 1 26 LEU HB3 . . 4.210 4.124 3.866 4.211 0.001 8 0 "[ . 1 . 2]" 2
317 1 11 TYR HA 1 26 LEU HB2 . . 5.500 5.407 5.287 5.501 0.001 7 0 "[ . 1 . 2]" 2
318 1 13 CYS HA 1 26 LEU HB2 . . 5.500 5.311 4.967 5.492 . 0 0 "[ . 1 . 2]" 2
319 1 20 PHE HA 1 26 LEU HB2 . . 5.500 5.080 4.944 5.231 . 0 0 "[ . 1 . 2]" 2
320 1 11 TYR HB3 1 26 LEU HB3 . . 3.780 3.422 3.316 3.526 . 0 0 "[ . 1 . 2]" 2
321 1 11 TYR HB3 1 26 LEU HB2 . . 3.500 3.242 3.132 3.380 . 0 0 "[ . 1 . 2]" 2
322 1 20 PHE HB2 1 26 LEU HB3 . . 4.450 3.516 3.330 3.677 . 0 0 "[ . 1 . 2]" 2
323 1 26 LEU HB3 1 27 ILE HB . . 5.320 5.064 4.981 5.145 . 0 0 "[ . 1 . 2]" 2
324 1 26 LEU HB3 1 27 ILE HG12 . . 4.900 4.874 4.828 4.902 0.002 19 0 "[ . 1 . 2]" 2
325 1 26 LEU HB3 1 26 LEU MD2 . . 3.090 2.262 2.153 2.360 . 0 0 "[ . 1 . 2]" 2
326 1 28 ILE HB 1 29 HIS HB3 . . 4.860 4.781 4.709 4.860 . 0 0 "[ . 1 . 2]" 2
327 1 25 GLN HB3 1 28 ILE HB . . 5.450 5.366 5.292 5.449 . 0 0 "[ . 1 . 2]" 2
328 1 11 TYR HB3 1 20 PHE H . . 4.470 4.372 4.156 4.474 0.004 19 0 "[ . 1 . 2]" 2
329 1 11 TYR HB3 1 12 GLU H . . 4.130 3.259 3.016 3.489 . 0 0 "[ . 1 . 2]" 2
330 1 11 TYR HB3 1 20 PHE QD . . 4.590 4.300 4.062 4.494 . 0 0 "[ . 1 . 2]" 2
331 1 25 GLN HA 1 28 ILE HB . . 3.390 3.361 3.306 3.391 0.001 7 0 "[ . 1 . 2]" 2
332 1 11 TYR HB3 1 20 PHE HB3 . . 5.420 5.301 5.215 5.423 0.003 18 0 "[ . 1 . 2]" 2
333 1 11 TYR HB2 1 20 PHE HB3 . . 4.340 4.177 4.079 4.239 . 0 0 "[ . 1 . 2]" 2
334 1 25 GLN HG2 1 28 ILE HB . . 5.470 5.241 5.160 5.475 0.005 14 0 "[ . 1 . 2]" 2
335 1 11 TYR HB2 1 26 LEU HB3 . . 4.350 4.115 3.985 4.254 . 0 0 "[ . 1 . 2]" 2
336 1 10 PRO HG2 1 11 TYR HB2 . . 4.580 4.445 4.385 4.530 . 0 0 "[ . 1 . 2]" 2
337 1 11 TYR HB2 1 26 LEU HB2 . . 3.840 3.455 3.306 3.599 . 0 0 "[ . 1 . 2]" 2
338 1 11 TYR HB2 1 26 LEU MD2 . . 3.440 3.274 3.167 3.415 . 0 0 "[ . 1 . 2]" 2
339 1 27 ILE HB 1 28 ILE HA . . 5.000 4.231 4.186 4.267 . 0 0 "[ . 1 . 2]" 2
340 1 27 ILE HA 1 30 GLN H . . 3.870 3.611 3.517 3.696 . 0 0 "[ . 1 . 2]" 2
341 1 28 ILE HA 1 30 GLN H . . 4.810 4.733 4.522 4.820 0.010 16 0 "[ . 1 . 2]" 2
342 1 27 ILE H 1 28 ILE HA . . 5.500 5.437 5.378 5.489 . 0 0 "[ . 1 . 2]" 2
343 1 27 ILE HA 1 30 GLN HE21 . . 5.500 4.100 2.138 5.183 . 0 0 "[ . 1 . 2]" 2
344 1 26 LEU H 1 27 ILE HA . . 5.300 5.111 4.986 5.174 . 0 0 "[ . 1 . 2]" 2
345 1 28 ILE HA 1 29 HIS HA . . 4.890 4.758 4.731 4.779 . 0 0 "[ . 1 . 2]" 2
346 1 28 ILE HA 1 31 ARG QD . . 3.560 2.417 1.987 2.633 . 0 0 "[ . 1 . 2]" 2
347 1 27 ILE HA 1 30 GLN HB2 . . 3.450 2.946 2.789 3.211 . 0 0 "[ . 1 . 2]" 2
348 1 27 ILE HA 1 30 GLN HB3 . . 4.760 4.539 4.377 4.761 0.001 13 0 "[ . 1 . 2]" 2
349 1 26 LEU HB3 1 27 ILE HA . . 4.660 4.419 4.366 4.489 . 0 0 "[ . 1 . 2]" 2
350 1 28 ILE HA 1 31 ARG HG3 . . 3.620 2.200 2.042 2.463 . 0 0 "[ . 1 . 2]" 2
351 1 28 ILE HA 1 28 ILE HG12 . . 3.490 2.697 2.598 2.794 . 0 0 "[ . 1 . 2]" 2
352 1 26 LEU HG 1 27 ILE HA . . 3.510 3.242 3.187 3.319 . 0 0 "[ . 1 . 2]" 2
353 1 27 ILE HA 1 27 ILE HG12 . . 3.180 2.690 2.627 2.783 . 0 0 "[ . 1 . 2]" 2
354 1 28 ILE HA 1 28 ILE HG13 . . 3.150 2.781 2.660 2.902 . 0 0 "[ . 1 . 2]" 2
355 1 26 LEU MD1 1 27 ILE HA . . 4.680 4.317 4.192 4.450 . 0 0 "[ . 1 . 2]" 2
356 1 26 LEU MD2 1 27 ILE HA . . 5.100 4.469 4.314 4.584 . 0 0 "[ . 1 . 2]" 2
357 1 28 ILE HA 1 28 ILE MG . . 2.970 2.410 2.329 2.472 . 0 0 "[ . 1 . 2]" 2
358 1 27 ILE HA 1 27 ILE MG . . 3.020 2.385 2.306 2.461 . 0 0 "[ . 1 . 2]" 2
359 1 12 GLU HG2 1 13 CYS H . . 4.590 4.153 2.269 4.590 . 0 0 "[ . 1 . 2]" 2
360 1 12 GLU H 1 12 GLU HG3 . . 4.630 4.291 3.769 4.611 . 0 0 "[ . 1 . 2]" 2
361 1 12 GLU H 1 12 GLU HG2 . . 4.990 4.801 4.696 4.911 . 0 0 "[ . 1 . 2]" 2
362 1 14 THR HA 1 17 GLY H . . 4.560 4.482 4.406 4.554 . 0 0 "[ . 1 . 2]" 2
363 1 12 GLU HG2 1 19 ALA HA . . 4.940 4.018 3.468 4.479 . 0 0 "[ . 1 . 2]" 2
364 1 14 THR HA 1 14 THR HB . . 2.640 2.497 2.435 2.547 . 0 0 "[ . 1 . 2]" 2
365 1 12 GLU HG3 1 17 GLY HA2 . . 5.440 5.125 4.244 5.493 0.053 20 0 "[ . 1 . 2]" 2
366 1 14 THR HA 1 14 THR MG . . 3.010 2.279 2.171 2.453 . 0 0 "[ . 1 . 2]" 2
367 1 12 GLU HG2 1 19 ALA MB . . 4.100 3.471 2.988 4.111 0.011 19 0 "[ . 1 . 2]" 2
368 1 8 GLU HG3 1 9 LYS H . . 5.500 4.525 2.560 5.469 . 0 0 "[ . 1 . 2]" 2
369 1 14 THR HA 1 16 CYS H . . 4.790 4.489 4.342 4.769 . 0 0 "[ . 1 . 2]" 2
370 1 12 GLU QB 1 14 THR HA . . 4.750 4.689 4.402 4.802 0.052 19 0 "[ . 1 . 2]" 2
371 1 31 ARG HB3 1 32 THR HA . . 4.840 4.419 4.323 4.526 . 0 0 "[ . 1 . 2]" 2
372 1 32 THR HA 1 32 THR MG . . 3.270 2.876 2.324 3.193 . 0 0 "[ . 1 . 2]" 2
373 1 30 GLN H 1 30 GLN HG2 . . 3.710 3.311 2.058 3.712 0.002 8 0 "[ . 1 . 2]" 2
374 1 29 HIS HD2 1 30 GLN HG2 . . 4.080 3.341 2.384 3.996 . 0 0 "[ . 1 . 2]" 2
375 1 29 HIS HD2 1 30 GLN HG3 . . 4.110 3.373 2.762 4.113 0.003 13 0 "[ . 1 . 2]" 2
376 1 13 CYS HA 1 30 GLN HG3 . . 5.120 4.119 3.588 4.676 . 0 0 "[ . 1 . 2]" 2
377 1 27 ILE HA 1 30 GLN HG3 . . 3.940 3.396 2.836 3.763 . 0 0 "[ . 1 . 2]" 2
378 1 30 GLN HA 1 30 GLN HG3 . . 4.120 3.113 2.747 3.785 . 0 0 "[ . 1 . 2]" 2
379 1 26 LEU HG 1 30 GLN HG2 . . 4.550 4.165 3.155 4.550 . 0 0 "[ . 1 . 2]" 2
380 1 26 LEU MD1 1 30 GLN HG2 . . 3.670 2.999 2.359 3.420 . 0 0 "[ . 1 . 2]" 2
381 1 10 PRO HA 1 11 TYR H . . 3.380 3.376 3.291 3.426 0.046 14 0 "[ . 1 . 2]" 2
382 1 10 PRO HA 1 11 TYR QD . . 5.190 4.987 4.897 5.087 . 0 0 "[ . 1 . 2]" 2
383 1 11 TYR QE 1 23 LYS H . . 4.150 3.988 3.697 4.152 0.002 6 0 "[ . 1 . 2]" 2
384 1 22 LEU H 1 25 GLN HG3 . . 4.860 4.029 3.949 4.138 . 0 0 "[ . 1 . 2]" 2
385 1 22 LEU H 1 25 GLN HG2 . . 5.410 5.376 5.310 5.411 0.001 9 0 "[ . 1 . 2]" 2
386 1 20 PHE QD 1 25 GLN HG2 . . 4.670 4.547 4.467 4.639 . 0 0 "[ . 1 . 2]" 2
387 1 20 PHE QD 1 25 GLN HG3 . . 4.890 4.835 4.779 4.892 0.002 19 0 "[ . 1 . 2]" 2
388 1 25 GLN HG3 1 26 LEU H . . 4.900 4.785 4.559 4.856 . 0 0 "[ . 1 . 2]" 2
389 1 25 GLN H 1 25 GLN HG2 . . 3.750 3.473 3.410 3.538 . 0 0 "[ . 1 . 2]" 2
390 1 25 GLN H 1 25 GLN HG3 . . 3.620 2.787 2.339 2.875 . 0 0 "[ . 1 . 2]" 2
391 1 11 TYR QE 1 22 LEU HA . . 3.970 3.336 3.043 3.586 . 0 0 "[ . 1 . 2]" 2
392 1 11 TYR HA 1 11 TYR QE . . 4.980 4.762 4.724 4.788 . 0 0 "[ . 1 . 2]" 2
393 1 25 GLN HA 1 25 GLN HG3 . . 3.520 3.200 3.097 3.230 . 0 0 "[ . 1 . 2]" 2
394 1 10 PRO HD2 1 11 TYR QE . . 4.130 3.555 3.380 3.679 . 0 0 "[ . 1 . 2]" 2
395 1 20 PHE HB3 1 25 GLN HG2 . . 5.230 4.935 4.785 5.114 . 0 0 "[ . 1 . 2]" 2
396 1 20 PHE HB3 1 25 GLN HG3 . . 4.680 4.423 4.266 4.562 . 0 0 "[ . 1 . 2]" 2
397 1 11 TYR QE 1 23 LYS HA . . 3.900 3.593 3.318 3.758 . 0 0 "[ . 1 . 2]" 2
398 1 10 PRO HB3 1 11 TYR QE . . 5.120 4.981 4.935 5.003 . 0 0 "[ . 1 . 2]" 2
399 1 10 PRO HG3 1 11 TYR QE . . 4.520 3.244 3.204 3.315 . 0 0 "[ . 1 . 2]" 2
400 1 22 LEU HB3 1 25 GLN HG2 . . 4.530 4.482 4.282 4.534 0.004 20 0 "[ . 1 . 2]" 2
401 1 10 PRO HG2 1 11 TYR QE . . 3.580 2.272 2.213 2.341 . 0 0 "[ . 1 . 2]" 2
402 1 11 TYR QE 1 23 LYS HD2 . . 4.660 2.534 1.997 3.404 . 0 0 "[ . 1 . 2]" 2
403 1 22 LEU HB2 1 25 GLN HG2 . . 4.050 3.787 3.583 3.855 . 0 0 "[ . 1 . 2]" 2
404 1 10 PRO HB2 1 11 TYR QE . . 4.410 4.094 4.020 4.183 . 0 0 "[ . 1 . 2]" 2
405 1 11 TYR QE 1 23 LYS HG3 . . 4.760 4.429 4.163 4.679 . 0 0 "[ . 1 . 2]" 2
406 1 11 TYR QE 1 23 LYS HB2 . . 3.540 2.523 2.216 2.699 . 0 0 "[ . 1 . 2]" 2
407 1 11 TYR QE 1 23 LYS HG2 . . 4.000 3.968 3.786 4.006 0.006 18 0 "[ . 1 . 2]" 2
408 1 22 LEU MD1 1 25 GLN HG2 . . 3.850 3.753 3.432 3.852 0.002 10 0 "[ . 1 . 2]" 2
409 1 33 HIS HB3 1 34 THR HA . . 5.040 4.247 3.926 4.721 . 0 0 "[ . 1 . 2]" 2
410 1 33 HIS HB2 1 34 THR HA . . 5.500 4.580 4.257 4.981 . 0 0 "[ . 1 . 2]" 2
411 1 18 LYS HB2 1 19 ALA H . . 4.300 3.745 3.494 3.975 . 0 0 "[ . 1 . 2]" 2
412 1 18 LYS HB2 1 20 PHE HZ . . 4.470 3.759 3.321 4.128 . 0 0 "[ . 1 . 2]" 2
413 1 24 SER QB 1 25 GLN H . . 4.460 2.893 2.736 3.447 . 0 0 "[ . 1 . 2]" 2
414 1 22 LEU HB3 1 24 SER QB . . 4.510 3.432 3.246 3.806 . 0 0 "[ . 1 . 2]" 2
415 1 22 LEU HB2 1 24 SER QB . . 5.170 4.651 4.508 5.191 0.021 19 0 "[ . 1 . 2]" 2
416 1 23 LYS HB3 1 24 SER QB . . 5.360 4.149 4.043 4.401 . 0 0 "[ . 1 . 2]" 2
417 1 9 LYS HB3 1 20 PHE HA . . 5.070 3.523 3.221 3.788 . 0 0 "[ . 1 . 2]" 2
418 1 9 LYS HB2 1 10 PRO HD2 . . 4.690 4.605 4.406 4.674 . 0 0 "[ . 1 . 2]" 2
419 1 9 LYS HB2 1 9 LYS QE . . 4.940 3.724 2.226 4.058 . 0 0 "[ . 1 . 2]" 2
420 1 24 SER QB 1 25 GLN HB2 . . 5.500 4.834 4.674 5.511 0.011 19 0 "[ . 1 . 2]" 2
421 1 24 SER QB 1 25 GLN HG2 . . 5.500 4.598 4.298 5.317 . 0 0 "[ . 1 . 2]" 2
422 1 24 SER QB 1 27 ILE HB . . 4.980 4.628 4.157 4.806 . 0 0 "[ . 1 . 2]" 2
423 1 23 LYS HG3 1 24 SER QB . . 5.500 4.553 4.381 4.925 . 0 0 "[ . 1 . 2]" 2
424 1 23 LYS HG2 1 24 SER QB . . 5.500 5.164 5.027 5.519 0.019 7 0 "[ . 1 . 2]" 2
425 1 11 TYR HA 1 12 GLU QB . . 4.490 4.089 4.009 4.143 . 0 0 "[ . 1 . 2]" 2
426 1 12 GLU QB 1 13 CYS HA . . 5.020 4.458 4.361 4.735 . 0 0 "[ . 1 . 2]" 2
427 1 8 GLU HA 1 9 LYS HB2 . . 4.940 4.685 4.555 4.888 . 0 0 "[ . 1 . 2]" 2
428 1 12 GLU QB 1 17 GLY HA2 . . 4.730 3.810 3.260 4.136 . 0 0 "[ . 1 . 2]" 2
429 1 12 GLU QB 1 12 GLU HG3 . . 2.600 2.442 2.322 2.479 . 0 0 "[ . 1 . 2]" 2
430 1 12 GLU QB 1 14 THR MG . . 4.880 4.026 3.871 4.221 . 0 0 "[ . 1 . 2]" 2
431 1 12 GLU QB 1 19 ALA HA . . 4.420 3.915 3.738 4.108 . 0 0 "[ . 1 . 2]" 2
432 1 24 SER HA 1 27 ILE HB . . 3.270 2.822 2.732 2.916 . 0 0 "[ . 1 . 2]" 2
433 1 22 LEU HB3 1 24 SER HA . . 5.210 5.027 4.955 5.083 . 0 0 "[ . 1 . 2]" 2
434 1 24 SER HA 1 27 ILE HG13 . . 4.100 3.392 3.292 3.532 . 0 0 "[ . 1 . 2]" 2
435 1 23 LYS HG3 1 24 SER HA . . 4.380 3.599 3.474 3.720 . 0 0 "[ . 1 . 2]" 2
436 1 12 GLU QB 1 19 ALA MB . . 4.240 4.111 3.978 4.268 0.028 20 0 "[ . 1 . 2]" 2
437 1 12 GLU QB 1 26 LEU MD1 . . 5.300 4.604 4.403 4.836 . 0 0 "[ . 1 . 2]" 2
438 1 12 GLU QB 1 26 LEU MD2 . . 5.500 4.358 4.203 4.540 . 0 0 "[ . 1 . 2]" 2
439 1 23 LYS HG2 1 24 SER HA . . 5.500 4.921 4.791 5.035 . 0 0 "[ . 1 . 2]" 2
440 1 16 CYS HB2 1 17 GLY H . . 4.540 3.720 3.528 3.833 . 0 0 "[ . 1 . 2]" 2
441 1 16 CYS HB3 1 17 GLY H . . 4.700 3.963 3.829 4.082 . 0 0 "[ . 1 . 2]" 2
442 1 16 CYS HA 1 16 CYS HB2 . . 2.960 2.476 2.439 2.509 . 0 0 "[ . 1 . 2]" 2
443 1 16 CYS HA 1 16 CYS HB3 . . 3.020 2.431 2.400 2.467 . 0 0 "[ . 1 . 2]" 2
444 1 10 PRO HB2 1 11 TYR HA . . 4.910 4.382 4.310 4.477 . 0 0 "[ . 1 . 2]" 2
445 1 15 ASP HB3 1 16 CYS HB2 . . 5.500 5.297 5.041 5.523 0.023 10 0 "[ . 1 . 2]" 2
446 1 15 ASP HB3 1 16 CYS HB3 . . 4.590 3.768 3.548 3.947 . 0 0 "[ . 1 . 2]" 2
447 1 30 GLN HA 1 32 THR H . . 4.530 4.252 3.842 4.543 0.013 16 0 "[ . 1 . 2]" 2
448 1 29 HIS H 1 30 GLN HA . . 5.500 5.238 5.154 5.299 . 0 0 "[ . 1 . 2]" 2
449 1 30 GLN HA 1 30 GLN HE21 . . 5.500 4.985 4.767 5.178 . 0 0 "[ . 1 . 2]" 2
450 1 29 HIS HD2 1 30 GLN HA . . 3.660 3.348 3.047 3.571 . 0 0 "[ . 1 . 2]" 2
451 1 30 GLN HA 1 33 HIS HD2 . . 3.100 2.082 2.002 2.245 . 0 0 "[ . 1 . 2]" 2
452 1 29 HIS HA 1 30 GLN HA . . 5.480 4.869 4.843 4.889 . 0 0 "[ . 1 . 2]" 2
453 1 30 GLN HA 1 31 ARG HA . . 5.500 4.837 4.800 4.874 . 0 0 "[ . 1 . 2]" 2
454 1 30 GLN HA 1 33 HIS HB2 . . 4.200 3.051 2.609 3.275 . 0 0 "[ . 1 . 2]" 2
455 1 29 HIS HB3 1 30 GLN HA . . 4.770 4.505 4.441 4.599 . 0 0 "[ . 1 . 2]" 2
456 1 30 GLN HA 1 30 GLN HG2 . . 3.230 2.396 2.242 2.726 . 0 0 "[ . 1 . 2]" 2
457 1 30 GLN HA 1 32 THR MG . . 4.940 4.186 3.584 4.939 . 0 0 "[ . 1 . 2]" 2
458 1 26 LEU MD1 1 30 GLN HA . . 4.610 4.298 4.109 4.503 . 0 0 "[ . 1 . 2]" 2
459 1 11 TYR QD 1 23 LYS HB3 . . 5.260 5.048 4.951 5.203 . 0 0 "[ . 1 . 2]" 2
460 1 11 TYR QD 1 23 LYS HB2 . . 4.690 3.692 3.493 3.882 . 0 0 "[ . 1 . 2]" 2
461 1 22 LEU HA 1 23 LYS HB2 . . 4.980 4.598 4.543 4.661 . 0 0 "[ . 1 . 2]" 2
462 1 23 LYS HB3 1 24 SER HA . . 4.930 4.511 4.461 4.579 . 0 0 "[ . 1 . 2]" 2
463 1 23 LYS HB3 1 27 ILE MD . . 4.700 4.074 3.928 4.179 . 0 0 "[ . 1 . 2]" 2
464 1 11 TYR QD 1 23 LYS HA . . 3.400 3.189 3.030 3.309 . 0 0 "[ . 1 . 2]" 2
465 1 11 TYR QE 1 23 LYS HB3 . . 5.050 4.063 3.854 4.223 . 0 0 "[ . 1 . 2]" 2
466 1 20 PHE HZ 1 29 HIS HA . . 4.820 4.762 4.598 4.826 0.006 14 0 "[ . 1 . 2]" 2
467 1 22 LEU HA 1 23 LYS HA . . 4.530 4.337 4.322 4.348 . 0 0 "[ . 1 . 2]" 2
468 1 23 LYS HA 1 24 SER HA . . 5.080 4.695 4.675 4.714 . 0 0 "[ . 1 . 2]" 2
469 1 26 LEU HA 1 29 HIS HA . . 5.380 5.263 5.156 5.380 0.000 2 0 "[ . 1 . 2]" 2
470 1 29 HIS HA 1 29 HIS HB2 . . 2.900 2.333 2.304 2.352 . 0 0 "[ . 1 . 2]" 2
471 1 23 LYS HA 1 26 LEU HB3 . . 3.470 3.312 3.172 3.453 . 0 0 "[ . 1 . 2]" 2
472 1 23 LYS HA 1 23 LYS HG3 . . 3.670 2.953 2.871 3.066 . 0 0 "[ . 1 . 2]" 2
473 1 29 HIS HA 1 32 THR MG . . 3.570 3.230 2.791 3.593 0.023 16 0 "[ . 1 . 2]" 2
474 1 23 LYS HA 1 23 LYS HB2 . . 2.910 2.393 2.375 2.416 . 0 0 "[ . 1 . 2]" 2
475 1 28 ILE MG 1 29 HIS HA . . 3.990 3.481 3.380 3.691 . 0 0 "[ . 1 . 2]" 2
476 1 23 LYS HA 1 27 ILE MD . . 4.940 4.296 4.108 4.460 . 0 0 "[ . 1 . 2]" 2
477 1 30 GLN HB2 1 31 ARG HA . . 4.980 4.492 4.313 4.607 . 0 0 "[ . 1 . 2]" 2
478 1 30 GLN HB3 1 31 ARG HA . . 4.710 4.442 4.300 4.626 . 0 0 "[ . 1 . 2]" 2
479 1 15 ASP HB3 1 16 CYS HA . . 4.740 4.367 4.217 4.462 . 0 0 "[ . 1 . 2]" 2
480 1 31 ARG HA 1 31 ARG HB3 . . 2.960 2.465 2.426 2.483 . 0 0 "[ . 1 . 2]" 2
481 1 31 ARG HA 1 31 ARG HG2 . . 3.260 2.463 2.402 2.638 . 0 0 "[ . 1 . 2]" 2
482 1 31 ARG HA 1 34 THR MG . . 4.180 3.452 2.192 4.150 . 0 0 "[ . 1 . 2]" 2
483 1 26 LEU HA 1 30 GLN H . . 4.310 4.075 3.944 4.223 . 0 0 "[ . 1 . 2]" 2
484 1 31 ARG HB3 1 32 THR H . . 4.750 3.590 3.398 3.841 . 0 0 "[ . 1 . 2]" 2
485 1 18 LYS HA 1 19 ALA H . . 2.620 2.537 2.353 2.647 0.027 20 0 "[ . 1 . 2]" 2
486 1 31 ARG H 1 31 ARG HB3 . . 3.780 3.589 3.588 3.592 . 0 0 "[ . 1 . 2]" 2
487 1 20 PHE QD 1 26 LEU HA . . 3.590 3.172 3.026 3.283 . 0 0 "[ . 1 . 2]" 2
488 1 20 PHE QE 1 26 LEU HA . . 4.110 3.379 3.238 3.460 . 0 0 "[ . 1 . 2]" 2
489 1 18 LYS HA 1 19 ALA HA . . 4.590 4.493 4.415 4.552 . 0 0 "[ . 1 . 2]" 2
490 1 25 GLN HA 1 26 LEU HA . . 4.980 4.690 4.639 4.708 . 0 0 "[ . 1 . 2]" 2
491 1 28 ILE HA 1 31 ARG HB3 . . 4.890 4.848 4.656 4.894 0.004 5 0 "[ . 1 . 2]" 2
492 1 28 ILE HA 1 31 ARG HB2 . . 4.710 3.918 3.800 4.003 . 0 0 "[ . 1 . 2]" 2
493 1 26 LEU HA 1 29 HIS HB3 . . 3.160 2.492 2.387 2.672 . 0 0 "[ . 1 . 2]" 2
494 1 13 CYS HB2 1 18 LYS HA . . 5.500 5.106 4.774 5.500 . 0 0 "[ . 1 . 2]" 2
495 1 26 LEU HA 1 29 HIS HB2 . . 3.730 3.630 3.472 3.732 0.002 14 0 "[ . 1 . 2]" 2
496 1 20 PHE HB2 1 26 LEU HA . . 4.500 3.633 3.528 3.740 . 0 0 "[ . 1 . 2]" 2
497 1 25 GLN HB2 1 26 LEU HA . . 4.830 4.666 4.532 4.717 . 0 0 "[ . 1 . 2]" 2
498 1 26 LEU HA 1 26 LEU HG . . 3.720 3.309 3.253 3.369 . 0 0 "[ . 1 . 2]" 2
499 1 18 LYS HA 1 18 LYS HG2 . . 3.590 2.754 2.243 3.176 . 0 0 "[ . 1 . 2]" 2
500 1 18 LYS HA 1 18 LYS HG3 . . 3.590 2.516 2.177 2.987 . 0 0 "[ . 1 . 2]" 2
501 1 26 LEU HA 1 26 LEU MD1 . . 2.960 2.173 2.038 2.420 . 0 0 "[ . 1 . 2]" 2
502 1 28 ILE MG 1 31 ARG HB2 . . 4.990 3.719 3.548 3.879 . 0 0 "[ . 1 . 2]" 2
503 1 13 CYS H 1 13 CYS HB2 . . 3.110 2.573 2.334 2.791 . 0 0 "[ . 1 . 2]" 2
504 1 13 CYS HB3 1 15 ASP H . . 4.720 3.525 3.048 4.204 . 0 0 "[ . 1 . 2]" 2
505 1 13 CYS HB2 1 17 GLY H . . 4.480 4.053 3.726 4.198 . 0 0 "[ . 1 . 2]" 2
506 1 13 CYS HB2 1 16 CYS H . . 4.570 4.406 4.205 4.513 . 0 0 "[ . 1 . 2]" 2
507 1 13 CYS HB2 1 20 PHE QD . . 4.520 3.942 3.776 4.169 . 0 0 "[ . 1 . 2]" 2
508 1 12 GLU QB 1 13 CYS HB3 . . 5.500 4.906 4.731 5.383 . 0 0 "[ . 1 . 2]" 2
509 1 13 CYS HB3 1 15 ASP HB2 . . 5.500 4.699 4.204 5.296 . 0 0 "[ . 1 . 2]" 2
510 1 12 GLU QB 1 13 CYS HB2 . . 5.500 5.259 5.095 5.519 0.019 17 0 "[ . 1 . 2]" 2
511 1 13 CYS HB2 1 15 ASP HB2 . . 5.500 5.146 4.895 5.515 0.015 17 0 "[ . 1 . 2]" 2
512 1 13 CYS HB3 1 18 LYS HB2 . . 4.090 2.775 2.224 3.244 . 0 0 "[ . 1 . 2]" 2
513 1 13 CYS HB3 1 18 LYS HB3 . . 4.330 3.442 2.682 4.281 . 0 0 "[ . 1 . 2]" 2
514 1 31 ARG HB3 1 32 THR MG . . 5.500 4.997 4.203 5.501 0.001 16 0 "[ . 1 . 2]" 2
515 1 13 CYS HB3 1 26 LEU MD1 . . 3.680 3.508 3.149 3.682 0.002 19 0 "[ . 1 . 2]" 2
516 1 25 GLN HA 1 28 ILE H . . 4.210 3.996 3.947 4.060 . 0 0 "[ . 1 . 2]" 2
517 1 25 GLN HA 1 25 GLN HG2 . . 3.000 2.228 2.194 2.436 . 0 0 "[ . 1 . 2]" 2
518 1 22 LEU HB2 1 25 GLN HA . . 4.700 4.688 4.608 4.710 0.010 16 0 "[ . 1 . 2]" 2
519 1 13 CYS HB2 1 18 LYS HB2 . . 4.410 3.115 2.128 3.882 . 0 0 "[ . 1 . 2]" 2
520 1 13 CYS HB2 1 18 LYS HB3 . . 4.460 3.189 2.407 4.140 . 0 0 "[ . 1 . 2]" 2
521 1 18 LYS HD3 1 29 HIS HE1 . . 3.970 3.509 2.601 3.971 0.001 14 0 "[ . 1 . 2]" 2
522 1 28 ILE HG12 1 29 HIS H . . 5.340 5.155 5.061 5.249 . 0 0 "[ . 1 . 2]" 2
523 1 28 ILE H 1 28 ILE HG12 . . 3.700 3.591 3.449 3.699 . 0 0 "[ . 1 . 2]" 2
524 1 18 LYS HD3 1 20 PHE HZ . . 4.420 2.421 1.999 3.148 . 0 0 "[ . 1 . 2]" 2
525 1 9 LYS HA 1 9 LYS HD2 . . 4.890 4.646 4.524 4.832 . 0 0 "[ . 1 . 2]" 2
526 1 9 LYS HA 1 9 LYS HD3 . . 4.890 4.592 4.372 4.894 0.004 3 0 "[ . 1 . 2]" 2
527 1 18 LYS HA 1 18 LYS HD2 . . 4.740 4.412 3.944 4.690 . 0 0 "[ . 1 . 2]" 2
528 1 25 GLN HA 1 28 ILE HG12 . . 5.440 5.376 5.247 5.442 0.002 10 0 "[ . 1 . 2]" 2
529 1 24 SER HA 1 28 ILE HG13 . . 4.950 4.094 3.971 4.251 . 0 0 "[ . 1 . 2]" 2
530 1 25 GLN HA 1 28 ILE HG13 . . 5.320 4.295 3.988 4.533 . 0 0 "[ . 1 . 2]" 2
531 1 11 TYR QE 1 23 LYS HD3 . . 4.660 2.079 1.997 3.516 . 0 0 "[ . 1 . 2]" 2
532 1 18 LYS HA 1 18 LYS HD3 . . 4.740 4.510 4.199 4.708 . 0 0 "[ . 1 . 2]" 2
533 1 23 LYS HA 1 23 LYS HD2 . . 4.990 2.498 2.361 2.937 . 0 0 "[ . 1 . 2]" 2
534 1 23 LYS HA 1 27 ILE HG13 . . 5.500 4.378 4.316 4.458 . 0 0 "[ . 1 . 2]" 2
535 1 23 LYS HA 1 23 LYS HD3 . . 4.990 3.700 3.261 4.115 . 0 0 "[ . 1 . 2]" 2
536 1 8 GLU HA 1 9 LYS HA . . 4.880 4.429 4.341 4.784 . 0 0 "[ . 1 . 2]" 2
537 1 24 SER HA 1 27 ILE HG12 . . 4.740 4.598 4.503 4.726 . 0 0 "[ . 1 . 2]" 2
538 1 27 ILE HA 1 27 ILE HG13 . . 3.550 2.838 2.807 2.876 . 0 0 "[ . 1 . 2]" 2
539 1 8 GLU HA 1 10 PRO HD3 . . 5.340 5.004 4.774 5.347 0.007 15 0 "[ . 1 . 2]" 2
540 1 23 LYS HE2 1 27 ILE HG12 . . 5.500 4.233 2.940 5.041 . 0 0 "[ . 1 . 2]" 2
541 1 23 LYS HE3 1 27 ILE HG12 . . 5.500 3.988 3.153 5.076 . 0 0 "[ . 1 . 2]" 2
542 1 26 LEU HB3 1 27 ILE HG13 . . 4.570 3.387 3.347 3.461 . 0 0 "[ . 1 . 2]" 2
543 1 33 HIS HB3 1 34 THR MG . . 4.620 3.763 3.194 4.238 . 0 0 "[ . 1 . 2]" 2
544 1 23 LYS HG2 1 27 ILE HG12 . . 5.500 5.491 5.439 5.504 0.004 14 0 "[ . 1 . 2]" 2
545 1 26 LEU MD2 1 27 ILE HG12 . . 5.500 4.656 4.469 4.834 . 0 0 "[ . 1 . 2]" 2
546 1 33 HIS HB3 1 34 THR H . . 4.760 3.399 2.901 4.408 . 0 0 "[ . 1 . 2]" 2
547 1 33 HIS H 1 33 HIS HB3 . . 3.750 3.572 3.499 3.692 . 0 0 "[ . 1 . 2]" 2
548 1 33 HIS HB3 1 33 HIS HD2 . . 3.760 3.675 3.584 3.734 . 0 0 "[ . 1 . 2]" 2
549 1 30 GLN HA 1 33 HIS HB3 . . 4.850 4.634 4.157 4.850 . 0 0 "[ . 1 . 2]" 2
550 1 29 HIS HB3 1 30 GLN HB2 . . 5.160 4.929 4.811 5.118 . 0 0 "[ . 1 . 2]" 2
551 1 36 GLU HA 1 36 GLU QG . . 3.840 2.733 2.162 3.430 . 0 0 "[ . 1 . 2]" 2
552 1 15 ASP HB2 1 33 HIS HB3 . . 5.500 4.137 3.715 4.489 . 0 0 "[ . 1 . 2]" 2
553 1 15 ASP HB3 1 33 HIS HB2 . . 5.050 4.168 3.787 4.543 . 0 0 "[ . 1 . 2]" 2
554 1 15 ASP HB2 1 33 HIS HB2 . . 5.380 4.128 3.640 4.495 . 0 0 "[ . 1 . 2]" 2
555 1 22 LEU HB2 1 25 GLN HB3 . . 4.420 3.833 3.685 3.876 . 0 0 "[ . 1 . 2]" 2
556 1 33 HIS HB2 1 34 THR MG . . 4.850 3.374 3.140 3.780 . 0 0 "[ . 1 . 2]" 2
557 1 29 HIS HB2 1 30 GLN H . . 4.000 3.932 3.876 4.001 0.001 5 0 "[ . 1 . 2]" 2
558 1 20 PHE QD 1 29 HIS HB3 . . 4.850 4.472 4.353 4.590 . 0 0 "[ . 1 . 2]" 2
559 1 28 ILE H 1 29 HIS HB3 . . 5.300 4.622 4.514 4.741 . 0 0 "[ . 1 . 2]" 2
560 1 20 PHE QD 1 29 HIS HB2 . . 4.580 4.538 4.443 4.580 0.000 8 0 "[ . 1 . 2]" 2
561 1 25 GLN HB3 1 26 LEU H . . 4.200 3.679 3.586 3.992 . 0 0 "[ . 1 . 2]" 2
562 1 20 PHE QE 1 29 HIS HB2 . . 3.980 2.917 2.694 3.106 . 0 0 "[ . 1 . 2]" 2
563 1 20 PHE HA 1 25 GLN HB2 . . 5.050 4.501 4.171 4.741 . 0 0 "[ . 1 . 2]" 2
564 1 28 ILE HB 1 29 HIS HB2 . . 4.910 4.597 4.514 4.728 . 0 0 "[ . 1 . 2]" 2
565 1 22 LEU HB3 1 25 GLN HB3 . . 4.890 4.858 4.694 4.899 0.009 10 0 "[ . 1 . 2]" 2
566 1 26 LEU HB2 1 29 HIS HB3 . . 5.070 4.683 4.568 4.815 . 0 0 "[ . 1 . 2]" 2
567 1 26 LEU MD1 1 29 HIS HB2 . . 4.350 4.214 4.026 4.349 . 0 0 "[ . 1 . 2]" 2
568 1 22 LEU MD2 1 25 GLN HB2 . . 5.020 4.959 4.850 5.028 0.008 19 0 "[ . 1 . 2]" 2
569 1 22 LEU MD1 1 25 GLN HB3 . . 5.070 5.005 4.802 5.071 0.001 17 0 "[ . 1 . 2]" 2
570 1 28 ILE MG 1 29 HIS HB3 . . 5.170 5.105 5.000 5.172 0.002 4 0 "[ . 1 . 2]" 2
571 1 29 HIS H 1 30 GLN HB2 . . 5.500 4.601 4.504 4.753 . 0 0 "[ . 1 . 2]" 2
572 1 30 GLN HB3 1 30 GLN HE21 . . 4.790 4.254 3.907 4.459 . 0 0 "[ . 1 . 2]" 2
573 1 26 LEU HG 1 30 GLN HB2 . . 4.850 4.432 4.165 4.723 . 0 0 "[ . 1 . 2]" 2
574 1 30 GLN HB3 1 34 THR MG . . 5.090 3.720 3.201 4.314 . 0 0 "[ . 1 . 2]" 2
575 1 26 LEU MD1 1 30 GLN HB3 . . 4.990 4.853 4.647 4.992 0.002 14 0 "[ . 1 . 2]" 2
576 1 31 ARG HA 1 31 ARG HG3 . . 3.830 3.299 3.125 3.411 . 0 0 "[ . 1 . 2]" 2
577 1 28 ILE HA 1 31 ARG HG2 . . 4.750 3.651 3.501 3.763 . 0 0 "[ . 1 . 2]" 2
578 1 28 ILE MG 1 31 ARG HG3 . . 5.500 3.512 3.175 3.899 . 0 0 "[ . 1 . 2]" 2
579 1 26 LEU HG 1 27 ILE H . . 4.820 3.199 3.130 3.299 . 0 0 "[ . 1 . 2]" 2
580 1 13 CYS HA 1 26 LEU HG . . 5.010 4.223 4.032 4.465 . 0 0 "[ . 1 . 2]" 2
581 1 11 TYR HB3 1 26 LEU HG . . 4.870 4.693 4.552 4.814 . 0 0 "[ . 1 . 2]" 2
582 1 26 LEU HG 1 30 GLN HG3 . . 3.830 2.760 2.412 3.147 . 0 0 "[ . 1 . 2]" 2
583 1 22 LEU HG 1 23 LYS H . . 4.810 4.609 4.561 4.713 . 0 0 "[ . 1 . 2]" 2
584 1 22 LEU H 1 22 LEU HG . . 3.850 3.584 3.482 3.718 . 0 0 "[ . 1 . 2]" 2
585 1 22 LEU HG 1 25 GLN H . . 5.140 5.092 4.969 5.132 . 0 0 "[ . 1 . 2]" 2
586 1 22 LEU HA 1 22 LEU HG . . 3.690 3.000 2.972 3.009 . 0 0 "[ . 1 . 2]" 2
587 1 22 LEU HG 1 25 GLN HB2 . . 4.790 4.686 4.580 4.726 . 0 0 "[ . 1 . 2]" 2
588 1 22 LEU HB2 1 22 LEU HG . . 2.850 2.358 2.352 2.365 . 0 0 "[ . 1 . 2]" 2
589 1 20 PHE QD 1 26 LEU MD2 . . 4.430 3.380 3.189 3.565 . 0 0 "[ . 1 . 2]" 2
590 1 11 TYR HA 1 26 LEU MD2 . . 4.130 3.475 3.333 3.593 . 0 0 "[ . 1 . 2]" 2
591 1 13 CYS HA 1 26 LEU MD2 . . 4.300 3.040 2.716 3.251 . 0 0 "[ . 1 . 2]" 2
592 1 9 LYS HA 1 10 PRO HG3 . . 4.610 4.389 4.327 4.419 . 0 0 "[ . 1 . 2]" 2
593 1 9 LYS HA 1 10 PRO HG2 . . 4.880 4.120 4.115 4.150 . 0 0 "[ . 1 . 2]" 2
594 1 13 CYS HB3 1 26 LEU MD2 . . 5.500 5.225 4.844 5.423 . 0 0 "[ . 1 . 2]" 2
595 1 20 PHE HB3 1 26 LEU MD2 . . 5.500 5.202 5.055 5.348 . 0 0 "[ . 1 . 2]" 2
596 1 26 LEU HA 1 26 LEU MD2 . . 4.380 3.945 3.921 3.965 . 0 0 "[ . 1 . 2]" 2
597 1 11 TYR HB3 1 26 LEU MD2 . . 3.060 2.060 1.966 2.215 . 0 0 "[ . 1 . 2]" 2
598 1 20 PHE HB2 1 26 LEU MD2 . . 4.850 3.802 3.678 3.966 . 0 0 "[ . 1 . 2]" 2
599 1 26 LEU HB2 1 26 LEU MD2 . . 3.370 2.417 2.343 2.473 . 0 0 "[ . 1 . 2]" 2
600 1 18 LYS H 1 18 LYS HG2 . . 4.830 4.293 3.857 4.649 . 0 0 "[ . 1 . 2]" 2
601 1 18 LYS H 1 18 LYS HG3 . . 4.830 3.585 2.753 4.283 . 0 0 "[ . 1 . 2]" 2
602 1 18 LYS HG2 1 19 ALA H . . 4.520 2.667 1.900 3.395 . 0 0 "[ . 1 . 2]" 2
603 1 18 LYS HG3 1 20 PHE HZ . . 4.850 4.579 4.350 4.851 0.001 8 0 "[ . 1 . 2]" 2
604 1 22 LEU H 1 22 LEU MD1 . . 4.470 4.370 4.302 4.474 0.004 19 0 "[ . 1 . 2]" 2
605 1 22 LEU MD1 1 25 GLN H . . 4.460 3.526 3.457 3.606 . 0 0 "[ . 1 . 2]" 2
606 1 22 LEU HA 1 22 LEU MD1 . . 4.360 3.729 3.724 3.739 . 0 0 "[ . 1 . 2]" 2
607 1 22 LEU MD1 1 24 SER HA . . 5.500 5.519 5.508 5.545 0.045 19 0 "[ . 1 . 2]" 2
608 1 22 LEU MD1 1 25 GLN HG3 . . 3.550 2.564 2.344 2.645 . 0 0 "[ . 1 . 2]" 2
609 1 22 LEU HB3 1 22 LEU MD1 . . 3.050 2.135 2.124 2.161 . 0 0 "[ . 1 . 2]" 2
610 1 22 LEU HB2 1 22 LEU MD1 . . 3.170 2.526 2.514 2.535 . 0 0 "[ . 1 . 2]" 2
611 1 23 LYS H 1 23 LYS HG2 . . 4.630 4.554 4.534 4.597 . 0 0 "[ . 1 . 2]" 2
612 1 11 TYR QD 1 23 LYS HG2 . . 5.500 5.109 5.000 5.199 . 0 0 "[ . 1 . 2]" 2
613 1 23 LYS HA 1 23 LYS HG2 . . 4.090 3.878 3.854 3.895 . 0 0 "[ . 1 . 2]" 2
614 1 23 LYS HG2 1 27 ILE MD . . 4.280 3.175 3.022 3.323 . 0 0 "[ . 1 . 2]" 2
615 1 9 LYS HA 1 9 LYS HG2 . . 4.120 2.781 2.609 2.924 . 0 0 "[ . 1 . 2]" 2
616 1 9 LYS HA 1 9 LYS HG3 . . 4.120 2.952 2.756 3.195 . 0 0 "[ . 1 . 2]" 2
617 1 23 LYS HG3 1 26 LEU HB3 . . 4.960 4.670 4.582 4.780 . 0 0 "[ . 1 . 2]" 2
618 1 9 LYS HG2 1 10 PRO HD2 . . 5.330 4.306 4.097 4.546 . 0 0 "[ . 1 . 2]" 2
619 1 9 LYS HG2 1 10 PRO HD3 . . 5.500 5.216 5.048 5.422 . 0 0 "[ . 1 . 2]" 2
620 1 9 LYS HG3 1 10 PRO HD2 . . 5.330 4.825 4.589 5.107 . 0 0 "[ . 1 . 2]" 2
621 1 9 LYS HG3 1 10 PRO HD3 . . 5.500 5.173 5.014 5.380 . 0 0 "[ . 1 . 2]" 2
622 1 22 LEU MD2 1 23 LYS H . . 3.980 2.398 2.320 2.518 . 0 0 "[ . 1 . 2]" 2
623 1 11 TYR QD 1 22 LEU MD2 . . 5.210 4.926 4.769 5.045 . 0 0 "[ . 1 . 2]" 2
624 1 11 TYR QE 1 22 LEU MD2 . . 4.700 4.037 3.781 4.187 . 0 0 "[ . 1 . 2]" 2
625 1 22 LEU HA 1 22 LEU MD2 . . 2.960 1.899 1.886 1.921 . 0 0 "[ . 1 . 2]" 2
626 1 22 LEU MD2 1 24 SER QB . . 4.760 4.354 4.251 4.528 . 0 0 "[ . 1 . 2]" 2
627 1 22 LEU HB3 1 22 LEU MD2 . . 3.070 2.454 2.441 2.468 . 0 0 "[ . 1 . 2]" 2
628 1 22 LEU HB2 1 22 LEU MD2 . . 3.500 3.173 3.170 3.179 . 0 0 "[ . 1 . 2]" 2
629 1 13 CYS H 1 26 LEU MD1 . . 3.710 2.916 2.605 3.201 . 0 0 "[ . 1 . 2]" 2
630 1 26 LEU MD1 1 30 GLN H . . 4.140 3.409 3.122 3.615 . 0 0 "[ . 1 . 2]" 2
631 1 26 LEU MD1 1 27 ILE H . . 4.520 4.214 4.134 4.292 . 0 0 "[ . 1 . 2]" 2
632 1 26 LEU MD1 1 30 GLN HE21 . . 3.950 2.531 1.936 3.079 . 0 0 "[ . 1 . 2]" 2
633 1 26 LEU MD1 1 29 HIS HD2 . . 3.300 2.473 2.240 2.714 . 0 0 "[ . 1 . 2]" 2
634 1 20 PHE QE 1 26 LEU MD1 . . 3.400 2.277 2.099 2.505 . 0 0 "[ . 1 . 2]" 2
635 1 20 PHE HZ 1 26 LEU MD1 . . 4.940 3.752 3.511 4.073 . 0 0 "[ . 1 . 2]" 2
636 1 19 ALA HA 1 26 LEU MD1 . . 4.840 4.238 3.934 4.422 . 0 0 "[ . 1 . 2]" 2
637 1 13 CYS HA 1 26 LEU MD1 . . 3.110 2.110 1.859 2.401 . 0 0 "[ . 1 . 2]" 2
638 1 26 LEU MD1 1 29 HIS HB3 . . 3.780 2.874 2.634 3.051 . 0 0 "[ . 1 . 2]" 2
639 1 13 CYS HB2 1 26 LEU MD1 . . 3.140 2.224 1.845 2.462 . 0 0 "[ . 1 . 2]" 2
640 1 26 LEU MD1 1 30 GLN HG3 . . 3.390 2.359 2.033 3.097 . 0 0 "[ . 1 . 2]" 2
641 1 26 LEU MD1 1 30 GLN HB2 . . 4.480 4.332 4.044 4.476 . 0 0 "[ . 1 . 2]" 2
642 1 26 LEU HB3 1 26 LEU MD1 . . 3.610 3.186 3.179 3.195 . 0 0 "[ . 1 . 2]" 2
643 1 15 ASP HB2 1 26 LEU MD1 . . 5.500 5.268 5.112 5.418 . 0 0 "[ . 1 . 2]" 2
644 1 26 LEU HB2 1 26 LEU MD1 . . 3.300 2.345 2.195 2.411 . 0 0 "[ . 1 . 2]" 2
645 1 11 TYR H 1 19 ALA MB . . 4.700 4.547 4.453 4.704 0.004 10 0 "[ . 1 . 2]" 2
646 1 19 ALA H 1 19 ALA MB . . 3.040 2.565 2.491 2.655 . 0 0 "[ . 1 . 2]" 2
647 1 19 ALA MB 1 20 PHE QD . . 4.540 4.248 4.002 4.424 . 0 0 "[ . 1 . 2]" 2
648 1 10 PRO HD3 1 11 TYR QE . . 4.940 4.623 4.491 4.713 . 0 0 "[ . 1 . 2]" 2
649 1 19 ALA MB 1 20 PHE HA . . 4.630 3.876 3.769 3.953 . 0 0 "[ . 1 . 2]" 2
650 1 9 LYS HA 1 19 ALA MB . . 4.900 4.557 4.394 4.731 . 0 0 "[ . 1 . 2]" 2
651 1 18 LYS HA 1 19 ALA MB . . 3.960 3.843 3.774 3.880 . 0 0 "[ . 1 . 2]" 2
652 1 12 GLU HG3 1 19 ALA HA . . 4.800 2.409 2.047 2.778 . 0 0 "[ . 1 . 2]" 2
653 1 12 GLU HG3 1 19 ALA MB . . 3.780 2.332 2.069 2.797 . 0 0 "[ . 1 . 2]" 2
654 1 9 LYS HB2 1 19 ALA MB . . 3.360 2.029 1.959 2.213 . 0 0 "[ . 1 . 2]" 2
655 1 9 LYS HB3 1 19 ALA HA . . 4.750 3.973 3.683 4.252 . 0 0 "[ . 1 . 2]" 2
656 1 14 THR MG 1 15 ASP H . . 4.590 4.252 4.093 4.390 . 0 0 "[ . 1 . 2]" 2
657 1 10 PRO HD3 1 11 TYR H . . 4.110 3.956 3.904 4.051 . 0 0 "[ . 1 . 2]" 2
658 1 10 PRO HD3 1 11 TYR QD . . 4.400 4.269 4.138 4.395 . 0 0 "[ . 1 . 2]" 2
659 1 13 CYS HA 1 14 THR MG . . 4.640 3.892 3.580 4.121 . 0 0 "[ . 1 . 2]" 2
660 1 9 LYS HA 1 10 PRO HD2 . . 3.010 1.919 1.913 1.947 . 0 0 "[ . 1 . 2]" 2
661 1 9 LYS HA 1 10 PRO HD3 . . 2.980 2.510 2.367 2.568 . 0 0 "[ . 1 . 2]" 2
662 1 10 PRO HD2 1 21 GLY HA2 . . 3.520 2.342 2.161 2.512 . 0 0 "[ . 1 . 2]" 2
663 1 10 PRO HD3 1 21 GLY HA2 . . 3.880 3.693 3.501 3.879 . 0 0 "[ . 1 . 2]" 2
664 1 9 LYS HB3 1 10 PRO HD2 . . 4.220 3.635 3.258 3.769 . 0 0 "[ . 1 . 2]" 2
665 1 9 LYS HB3 1 10 PRO HD3 . . 4.700 4.699 4.452 4.782 0.082 20 0 "[ . 1 . 2]" 2
666 1 38 GLY HA3 1 39 PRO QD . . 3.330 2.399 1.927 3.375 0.045 11 0 "[ . 1 . 2]" 2
667 1 38 GLY HA2 1 39 PRO QD . . 3.330 2.438 1.906 3.351 0.021 6 0 "[ . 1 . 2]" 2
668 1 34 THR HA 1 34 THR MG . . 2.910 2.301 2.164 2.423 . 0 0 "[ . 1 . 2]" 2
669 1 29 HIS HB2 1 32 THR MG . . 4.760 4.567 4.275 4.764 0.004 16 0 "[ . 1 . 2]" 2
670 1 31 ARG HB2 1 32 THR MG . . 4.530 4.022 3.123 4.543 0.013 16 0 "[ . 1 . 2]" 2
671 1 32 THR H 1 32 THR MG . . 3.160 2.285 1.870 2.573 . 0 0 "[ . 1 . 2]" 2
672 1 32 THR MG 1 33 HIS H . . 4.200 2.835 1.874 3.870 . 0 0 "[ . 1 . 2]" 2
673 1 10 PRO HD2 1 21 GLY HA3 . . 4.120 3.970 3.809 4.129 0.009 20 0 "[ . 1 . 2]" 2
674 1 11 TYR HA 1 11 TYR QD . . 4.250 3.015 2.952 3.090 . 0 0 "[ . 1 . 2]" 2
675 1 13 CYS HB3 1 17 GLY HA2 . . 4.430 3.882 3.765 3.958 . 0 0 "[ . 1 . 2]" 2
676 1 13 CYS HB2 1 17 GLY HA2 . . 5.500 5.381 5.143 5.490 . 0 0 "[ . 1 . 2]" 2
677 1 18 LYS HD2 1 20 PHE HZ . . 4.420 3.085 2.112 3.891 . 0 0 "[ . 1 . 2]" 2
678 1 23 LYS HG3 1 26 LEU H . . 5.080 5.070 5.010 5.092 0.012 19 0 "[ . 1 . 2]" 2
679 1 23 LYS HG3 1 27 ILE H . . 5.080 4.393 4.311 4.522 . 0 0 "[ . 1 . 2]" 2
680 1 9 LYS QE 1 19 ALA MB . . 4.120 3.277 1.874 3.636 . 0 0 "[ . 1 . 2]" 2
681 1 25 GLN HA 1 28 ILE MG . . 4.650 4.573 4.493 4.622 . 0 0 "[ . 1 . 2]" 2
682 1 22 LEU MD1 1 25 GLN HB2 . . 4.750 4.044 3.921 4.156 . 0 0 "[ . 1 . 2]" 2
683 1 27 ILE HA 1 27 ILE MD . . 4.070 3.882 3.862 3.904 . 0 0 "[ . 1 . 2]" 2
684 1 27 ILE H 1 27 ILE MD . . 3.850 3.288 3.144 3.394 . 0 0 "[ . 1 . 2]" 2
685 1 22 LEU HB2 1 25 GLN HB2 . . 3.600 2.365 2.250 2.421 . 0 0 "[ . 1 . 2]" 2
686 1 22 LEU HB3 1 25 GLN HB2 . . 3.890 3.217 3.046 3.364 . 0 0 "[ . 1 . 2]" 2
687 1 16 CYS HB3 1 33 HIS HE1 . . 3.130 2.181 2.016 2.293 . 0 0 "[ . 1 . 2]" 2
688 1 16 CYS HB2 1 33 HIS HE1 . . 3.820 3.741 3.531 3.824 0.004 20 0 "[ . 1 . 2]" 2
689 1 15 ASP HB3 1 33 HIS HE1 . . 4.340 3.621 3.157 4.026 . 0 0 "[ . 1 . 2]" 2
690 1 16 CYS HA 1 33 HIS HE1 . . 4.590 4.278 3.970 4.521 . 0 0 "[ . 1 . 2]" 2
691 1 18 LYS HD2 1 29 HIS HE1 . . 3.970 2.536 2.153 3.020 . 0 0 "[ . 1 . 2]" 2
692 1 29 HIS HE1 1 32 THR MG . . 4.240 3.597 2.924 4.241 0.001 13 0 "[ . 1 . 2]" 2
693 1 20 PHE HZ 1 29 HIS HE1 . . 4.560 4.074 3.819 4.341 . 0 0 "[ . 1 . 2]" 2
694 1 31 ARG HA 1 31 ARG QD . . 4.250 4.100 3.779 4.187 . 0 0 "[ . 1 . 2]" 2
695 1 31 ARG HB2 1 31 ARG QD . . 3.100 2.564 2.428 3.038 . 0 0 "[ . 1 . 2]" 2
696 1 20 PHE QD 1 26 LEU MD1 . . 3.130 2.279 2.006 2.446 . 0 0 "[ . 1 . 2]" 2
697 1 20 PHE QD 1 26 LEU HB2 . . 3.590 2.460 2.173 2.585 . 0 0 "[ . 1 . 2]" 2
698 1 20 PHE QD 1 26 LEU HG . . 4.660 4.623 4.398 4.663 0.003 14 0 "[ . 1 . 2]" 2
699 1 20 PHE QD 1 25 GLN HB3 . . 3.340 2.081 1.999 2.222 . 0 0 "[ . 1 . 2]" 2
700 1 20 PHE QD 1 25 GLN HB2 . . 3.540 3.303 3.026 3.425 . 0 0 "[ . 1 . 2]" 2
701 1 11 TYR HB2 1 20 PHE QD . . 4.410 3.946 3.743 4.177 . 0 0 "[ . 1 . 2]" 2
702 1 20 PHE QD 1 25 GLN HA . . 4.840 4.352 4.057 4.578 . 0 0 "[ . 1 . 2]" 2
703 1 20 PHE HA 1 20 PHE QD . . 3.420 3.066 2.930 3.160 . 0 0 "[ . 1 . 2]" 2
704 1 19 ALA HA 1 20 PHE QD . . 3.570 3.026 2.731 3.292 . 0 0 "[ . 1 . 2]" 2
705 1 20 PHE H 1 20 PHE QD . . 3.190 2.951 2.691 3.170 . 0 0 "[ . 1 . 2]" 2
706 1 11 TYR QD 1 26 LEU MD2 . . 3.310 3.113 2.988 3.262 . 0 0 "[ . 1 . 2]" 2
707 1 10 PRO HB2 1 11 TYR QD . . 4.100 4.094 4.036 4.106 0.006 14 0 "[ . 1 . 2]" 2
708 1 10 PRO HG2 1 11 TYR QD . . 3.620 2.364 2.284 2.414 . 0 0 "[ . 1 . 2]" 2
709 1 10 PRO HG3 1 11 TYR QD . . 4.670 3.939 3.879 4.000 . 0 0 "[ . 1 . 2]" 2
710 1 11 TYR QD 1 26 LEU HB3 . . 4.450 4.425 4.265 4.456 0.006 8 0 "[ . 1 . 2]" 2
711 1 11 TYR QD 1 20 PHE HB2 . . 4.520 4.299 4.156 4.494 . 0 0 "[ . 1 . 2]" 2
712 1 10 PRO HD2 1 11 TYR QD . . 3.600 2.673 2.526 2.809 . 0 0 "[ . 1 . 2]" 2
713 1 11 TYR QD 1 21 GLY HA2 . . 4.340 3.379 3.257 3.505 . 0 0 "[ . 1 . 2]" 2
714 1 11 TYR QD 1 22 LEU HA . . 3.970 3.826 3.619 3.969 . 0 0 "[ . 1 . 2]" 2
715 1 11 TYR H 1 11 TYR QD . . 3.400 2.462 2.259 2.699 . 0 0 "[ . 1 . 2]" 2
716 1 11 TYR QD 1 12 GLU H . . 4.690 4.379 4.231 4.519 . 0 0 "[ . 1 . 2]" 2
717 1 8 GLU H 1 8 GLU QB . . 3.550 2.483 2.198 3.233 . 0 0 "[ . 1 . 2]" 2
718 1 8 GLU H 1 8 GLU QG . . 4.340 3.208 2.034 4.239 . 0 0 "[ . 1 . 2]" 2
719 1 8 GLU HA 1 8 GLU QG . . 3.670 2.658 2.178 3.491 . 0 0 "[ . 1 . 2]" 2
720 1 8 GLU HA 1 9 LYS QG . . 4.540 3.659 3.266 4.382 . 0 0 "[ . 1 . 2]" 2
721 1 8 GLU QB 1 9 LYS H . . 4.150 3.243 2.164 3.932 . 0 0 "[ . 1 . 2]" 2
722 1 8 GLU QB 1 10 PRO HD3 . . 4.650 3.760 3.282 4.527 . 0 0 "[ . 1 . 2]" 2
723 1 9 LYS H 1 9 LYS QG . . 3.940 2.493 1.882 2.948 . 0 0 "[ . 1 . 2]" 2
724 1 9 LYS HA 1 9 LYS QG . . 3.440 2.534 2.472 2.602 . 0 0 "[ . 1 . 2]" 2
725 1 9 LYS QE 1 9 LYS QG . . 3.180 2.196 2.088 2.554 . 0 0 "[ . 1 . 2]" 2
726 1 9 LYS QG 1 20 PHE HA . . 4.920 3.308 2.971 3.769 . 0 0 "[ . 1 . 2]" 2
727 1 9 LYS QG 1 21 GLY HA2 . . 4.460 2.540 2.308 2.856 . 0 0 "[ . 1 . 2]" 2
728 1 9 LYS QG 1 21 GLY HA3 . . 4.560 2.846 2.518 3.183 . 0 0 "[ . 1 . 2]" 2
729 1 9 LYS QD 1 20 PHE H . . 4.530 3.020 2.635 3.434 . 0 0 "[ . 1 . 2]" 2
730 1 9 LYS QD 1 20 PHE HB2 . . 5.340 4.928 4.473 5.342 0.002 20 0 "[ . 1 . 2]" 2
731 1 9 LYS QD 1 21 GLY HA3 . . 5.090 4.663 4.036 5.073 . 0 0 "[ . 1 . 2]" 2
732 1 11 TYR HB3 1 23 LYS QD . . 5.340 3.953 3.755 4.368 . 0 0 "[ . 1 . 2]" 2
733 1 11 TYR QD 1 23 LYS QD . . 4.550 2.353 2.106 2.586 . 0 0 "[ . 1 . 2]" 2
734 1 11 TYR QE 1 23 LYS QD . . 3.860 1.916 1.825 1.988 . 0 0 "[ . 1 . 2]" 2
735 1 11 TYR QE 1 23 LYS QE . . 5.180 3.774 3.448 4.106 . 0 0 "[ . 1 . 2]" 2
736 1 18 LYS H 1 18 LYS QG . . 4.070 3.394 2.704 3.955 . 0 0 "[ . 1 . 2]" 2
737 1 18 LYS H 1 18 LYS QE . . 5.340 4.936 4.056 5.342 0.002 11 0 "[ . 1 . 2]" 2
738 1 18 LYS HA 1 18 LYS QD . . 4.100 3.945 3.741 4.063 . 0 0 "[ . 1 . 2]" 2
739 1 18 LYS HA 1 18 LYS QE . . 5.340 3.983 3.429 4.609 . 0 0 "[ . 1 . 2]" 2
740 1 18 LYS HB2 1 18 LYS QE . . 4.910 3.418 2.326 4.153 . 0 0 "[ . 1 . 2]" 2
741 1 18 LYS QE 1 18 LYS QG . . 3.320 2.202 2.013 2.600 . 0 0 "[ . 1 . 2]" 2
742 1 18 LYS QG 1 19 ALA H . . 3.870 2.581 1.855 3.290 . 0 0 "[ . 1 . 2]" 2
743 1 18 LYS QG 1 20 PHE QE . . 4.090 3.573 3.012 4.092 0.002 14 0 "[ . 1 . 2]" 2
744 1 18 LYS QG 1 20 PHE HZ . . 4.200 3.556 2.885 4.204 0.004 14 0 "[ . 1 . 2]" 2
745 1 18 LYS QG 1 29 HIS HE1 . . 5.320 4.329 3.715 4.941 . 0 0 "[ . 1 . 2]" 2
746 1 18 LYS QD 1 19 ALA H . . 4.720 3.994 3.750 4.611 . 0 0 "[ . 1 . 2]" 2
747 1 18 LYS QD 1 20 PHE QE . . 4.940 3.138 2.915 3.280 . 0 0 "[ . 1 . 2]" 2
748 1 18 LYS QD 1 29 HIS HE1 . . 3.420 2.445 2.091 2.854 . 0 0 "[ . 1 . 2]" 2
749 1 18 LYS QE 1 29 HIS HE1 . . 4.820 3.419 2.658 4.623 . 0 0 "[ . 1 . 2]" 2
750 1 23 LYS HA 1 23 LYS QD . . 4.380 2.458 2.336 2.877 . 0 0 "[ . 1 . 2]" 2
751 1 23 LYS HB2 1 23 LYS QE . . 4.830 3.931 3.201 4.065 . 0 0 "[ . 1 . 2]" 2
752 1 23 LYS HB3 1 23 LYS QE . . 4.650 4.304 3.818 4.442 . 0 0 "[ . 1 . 2]" 2
753 1 23 LYS QE 1 23 LYS HG3 . . 3.710 2.404 2.142 2.971 . 0 0 "[ . 1 . 2]" 2
754 1 23 LYS QE 1 27 ILE MD . . 3.560 2.517 2.097 3.322 . 0 0 "[ . 1 . 2]" 2
755 1 25 GLN HB2 1 25 GLN QE . . 3.740 3.326 2.621 3.766 0.026 19 0 "[ . 1 . 2]" 2
756 1 36 GLU H 1 36 GLU QB . . 3.670 2.536 2.243 3.169 . 0 0 "[ . 1 . 2]" 2
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