NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508436 |
2eoy   |
10154 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eoy
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 27
_Distance_constraint_stats_list.Viol_total 0.391
_Distance_constraint_stats_list.Viol_max 0.003
_Distance_constraint_stats_list.Viol_rms 0.0004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0007
_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 15 CYS 0.008 0.002 7 0 "[ . 1 . 2]"
1 18 CYS 0.009 0.003 7 0 "[ . 1 . 2]"
1 31 HIS 0.009 0.003 7 0 "[ . 1 . 2]"
1 35 HIS 0.005 0.002 7 0 "[ . 1 . 2]"
2 1 ZN 0.008 0.003 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.363 2.303 2.390 0.000 17 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.283 3.248 3.377 0.002 7 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.269 2.190 2.388 . 0 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.480 3.408 3.513 0.003 7 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.057 1.949 2.101 0.001 17 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 1.959 1.900 2.100 0.000 20 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.651 3.564 3.832 . 0 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.617 3.428 3.722 0.002 20 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.662 3.337 3.722 0.002 7 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.322 3.317 3.337 0.003 7 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.635 3.365 3.718 . 0 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.221 3.001 3.600 0.000 6 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 423
_Distance_constraint_stats_list.Viol_count 75
_Distance_constraint_stats_list.Viol_total 11.152
_Distance_constraint_stats_list.Viol_max 0.040
_Distance_constraint_stats_list.Viol_rms 0.0012
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0074
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.010 0.009 5 0 "[ . 1 . 2]"
1 12 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PHE 0.007 0.005 10 0 "[ . 1 . 2]"
1 14 LYS 0.007 0.005 10 0 "[ . 1 . 2]"
1 15 CYS 0.003 0.003 7 0 "[ . 1 . 2]"
1 16 ASN 0.008 0.006 7 0 "[ . 1 . 2]"
1 17 LYS 0.047 0.032 6 0 "[ . 1 . 2]"
1 18 CYS 0.078 0.014 17 0 "[ . 1 . 2]"
1 19 GLU 0.062 0.014 17 0 "[ . 1 . 2]"
1 20 LYS 0.015 0.007 7 0 "[ . 1 . 2]"
1 21 THR 0.022 0.022 17 0 "[ . 1 . 2]"
1 22 PHE 0.028 0.022 17 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 CYS 0.001 0.001 13 0 "[ . 1 . 2]"
1 25 SER 0.001 0.001 10 0 "[ . 1 . 2]"
1 26 LYS 0.018 0.011 8 0 "[ . 1 . 2]"
1 27 TYR 0.028 0.019 8 0 "[ . 1 . 2]"
1 28 LEU 0.021 0.019 8 0 "[ . 1 . 2]"
1 29 THR 0.027 0.011 8 0 "[ . 1 . 2]"
1 30 GLN 0.012 0.008 8 0 "[ . 1 . 2]"
1 31 HIS 0.327 0.040 19 0 "[ . 1 . 2]"
1 32 GLU 0.008 0.004 17 0 "[ . 1 . 2]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 0.321 0.040 19 0 "[ . 1 . 2]"
1 35 HIS 0.021 0.006 7 0 "[ . 1 . 2]"
1 36 THR 0.002 0.001 19 0 "[ . 1 . 2]"
1 37 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 PHE QD 1 14 LYS H . . 4.890 4.465 3.991 4.853 . 0 0 "[ . 1 . 2]" 2
2 1 13 PHE H 1 14 LYS H . . 4.300 4.216 3.998 4.305 0.005 10 0 "[ . 1 . 2]" 2
3 1 13 PHE HA 1 14 LYS H . . 2.910 2.164 2.138 2.206 . 0 0 "[ . 1 . 2]" 2
4 1 13 PHE HB3 1 14 LYS H . . 4.110 3.640 3.052 3.930 . 0 0 "[ . 1 . 2]" 2
5 1 14 LYS H 1 14 LYS HB2 . . 3.550 2.817 2.443 3.251 . 0 0 "[ . 1 . 2]" 2
6 1 14 LYS H 1 14 LYS HB3 . . 3.550 2.652 2.380 2.838 . 0 0 "[ . 1 . 2]" 2
7 1 14 LYS H 1 14 LYS HG2 . . 4.710 4.500 4.204 4.685 . 0 0 "[ . 1 . 2]" 2
8 1 14 LYS H 1 28 LEU MD2 . . 3.970 3.568 3.185 3.972 0.002 10 0 "[ . 1 . 2]" 2
9 1 14 LYS H 1 14 LYS HG3 . . 4.710 4.554 4.380 4.700 . 0 0 "[ . 1 . 2]" 2
10 1 24 CYS H 1 27 TYR QD . . 4.180 3.197 1.918 4.175 . 0 0 "[ . 1 . 2]" 2
11 1 22 PHE HB2 1 24 CYS H . . 4.330 4.106 3.182 4.331 0.001 13 0 "[ . 1 . 2]" 2
12 1 22 PHE HB3 1 24 CYS H . . 3.690 3.113 2.411 3.465 . 0 0 "[ . 1 . 2]" 2
13 1 13 PHE H 1 13 PHE QD . . 3.790 2.748 1.920 3.381 . 0 0 "[ . 1 . 2]" 2
14 1 12 CYS HA 1 13 PHE H . . 3.000 2.221 2.141 2.503 . 0 0 "[ . 1 . 2]" 2
15 1 13 PHE H 1 13 PHE HB2 . . 3.450 2.683 2.392 2.959 . 0 0 "[ . 1 . 2]" 2
16 1 12 CYS QB 1 13 PHE H . . 3.810 3.096 2.189 3.764 . 0 0 "[ . 1 . 2]" 2
17 1 13 PHE H 1 28 LEU MD2 . . 4.730 4.551 4.280 4.728 . 0 0 "[ . 1 . 2]" 2
18 1 12 CYS H 1 13 PHE H . . 4.710 4.369 4.006 4.643 . 0 0 "[ . 1 . 2]" 2
19 1 20 LYS H 1 20 LYS HG2 . . 4.570 4.154 3.944 4.549 . 0 0 "[ . 1 . 2]" 2
20 1 20 LYS H 1 20 LYS HB2 . . 3.680 2.324 2.270 2.379 . 0 0 "[ . 1 . 2]" 2
21 1 10 GLU HA 1 11 LYS H . . 3.510 2.323 2.138 3.007 . 0 0 "[ . 1 . 2]" 2
22 1 28 LEU H 1 29 THR H . . 3.380 2.690 2.475 2.855 . 0 0 "[ . 1 . 2]" 2
23 1 27 TYR H 1 28 LEU H . . 3.330 2.669 2.220 2.926 . 0 0 "[ . 1 . 2]" 2
24 1 26 LYS HA 1 28 LEU H . . 4.510 4.362 4.187 4.476 . 0 0 "[ . 1 . 2]" 2
25 1 22 PHE HB3 1 28 LEU H . . 4.550 4.146 4.013 4.324 . 0 0 "[ . 1 . 2]" 2
26 1 27 TYR HB3 1 28 LEU H . . 3.790 3.481 3.271 3.809 0.019 8 0 "[ . 1 . 2]" 2
27 1 27 TYR HB2 1 28 LEU H . . 3.790 2.777 2.551 3.037 . 0 0 "[ . 1 . 2]" 2
28 1 22 PHE HB2 1 28 LEU H . . 4.680 4.273 3.880 4.532 . 0 0 "[ . 1 . 2]" 2
29 1 28 LEU H 1 28 LEU HB3 . . 3.200 2.373 2.329 2.429 . 0 0 "[ . 1 . 2]" 2
30 1 28 LEU H 1 28 LEU HG . . 4.440 4.388 4.335 4.440 . 0 0 "[ . 1 . 2]" 2
31 1 28 LEU H 1 28 LEU HB2 . . 3.390 2.681 2.608 2.781 . 0 0 "[ . 1 . 2]" 2
32 1 28 LEU H 1 28 LEU MD1 . . 4.600 4.158 4.097 4.239 . 0 0 "[ . 1 . 2]" 2
33 1 28 LEU H 1 28 LEU MD2 . . 4.930 4.213 4.142 4.271 . 0 0 "[ . 1 . 2]" 2
34 1 22 PHE QD 1 28 LEU H . . 4.840 4.534 4.139 4.769 . 0 0 "[ . 1 . 2]" 2
35 1 20 LYS HB3 1 21 THR H . . 3.720 3.191 2.882 3.714 . 0 0 "[ . 1 . 2]" 2
36 1 20 LYS HA 1 21 THR H . . 2.890 2.189 2.140 2.258 . 0 0 "[ . 1 . 2]" 2
37 1 20 LYS HG2 1 21 THR H . . 5.460 3.867 3.648 4.525 . 0 0 "[ . 1 . 2]" 2
38 1 20 LYS HG3 1 21 THR H . . 5.460 4.800 3.622 5.091 . 0 0 "[ . 1 . 2]" 2
39 1 28 LEU HA 1 31 HIS H . . 3.920 3.476 3.234 3.691 . 0 0 "[ . 1 . 2]" 2
40 1 31 HIS H 1 31 HIS HB2 . . 3.340 2.862 2.815 2.897 . 0 0 "[ . 1 . 2]" 2
41 1 31 HIS H 1 31 HIS HB3 . . 3.340 2.244 2.217 2.282 . 0 0 "[ . 1 . 2]" 2
42 1 28 LEU MD1 1 31 HIS H . . 4.800 4.584 4.361 4.799 . 0 0 "[ . 1 . 2]" 2
43 1 31 HIS H 1 31 HIS HD2 . . 5.000 4.601 4.539 4.683 . 0 0 "[ . 1 . 2]" 2
44 1 11 LYS QB 1 12 CYS H . . 4.530 3.559 2.553 3.974 . 0 0 "[ . 1 . 2]" 2
45 1 28 LEU H 1 30 GLN H . . 5.010 4.477 3.940 4.642 . 0 0 "[ . 1 . 2]" 2
46 1 28 LEU H 1 31 HIS H . . 5.450 4.647 4.479 4.815 . 0 0 "[ . 1 . 2]" 2
47 1 29 THR HB 1 30 GLN H . . 3.560 2.234 2.054 3.568 0.008 8 0 "[ . 1 . 2]" 2
48 1 30 GLN H 1 30 GLN HG2 . . 5.050 4.024 2.391 4.621 . 0 0 "[ . 1 . 2]" 2
49 1 27 TYR HA 1 30 GLN H . . 4.710 4.237 4.002 4.454 . 0 0 "[ . 1 . 2]" 2
50 1 27 TYR HA 1 31 HIS H . . 5.030 4.193 3.907 4.443 . 0 0 "[ . 1 . 2]" 2
51 1 30 GLN H 1 30 GLN QB . . 3.260 2.226 2.147 2.383 . 0 0 "[ . 1 . 2]" 2
52 1 30 GLN QB 1 31 HIS H . . 3.710 2.563 2.413 2.725 . 0 0 "[ . 1 . 2]" 2
53 1 29 THR MG 1 30 GLN H . . 4.270 3.055 1.858 3.273 . 0 0 "[ . 1 . 2]" 2
54 1 17 LYS H 1 18 CYS H . . 3.140 2.858 1.944 3.120 . 0 0 "[ . 1 . 2]" 2
55 1 18 CYS H 1 19 GLU H . . 3.360 2.390 1.998 2.569 . 0 0 "[ . 1 . 2]" 2
56 1 18 CYS H 1 19 GLU HA . . 4.980 4.637 4.252 4.826 . 0 0 "[ . 1 . 2]" 2
57 1 18 CYS H 1 18 CYS HB3 . . 3.520 2.713 2.587 3.084 . 0 0 "[ . 1 . 2]" 2
58 1 18 CYS H 1 18 CYS HB2 . . 3.990 3.618 3.594 3.678 . 0 0 "[ . 1 . 2]" 2
59 1 15 CYS HB2 1 18 CYS H . . 4.830 4.605 4.022 4.824 . 0 0 "[ . 1 . 2]" 2
60 1 17 LYS HB3 1 18 CYS H . . 3.800 2.901 1.906 3.571 . 0 0 "[ . 1 . 2]" 2
61 1 17 LYS HB2 1 18 CYS H . . 3.800 2.318 1.896 3.274 . 0 0 "[ . 1 . 2]" 2
62 1 22 PHE H 1 22 PHE QD . . 3.340 2.816 2.497 3.215 . 0 0 "[ . 1 . 2]" 2
63 1 21 THR HA 1 22 PHE H . . 2.970 2.211 2.151 2.292 . 0 0 "[ . 1 . 2]" 2
64 1 21 THR HB 1 22 PHE H . . 3.370 2.969 2.676 3.286 . 0 0 "[ . 1 . 2]" 2
65 1 22 PHE H 1 22 PHE HB3 . . 4.110 3.753 3.687 3.810 . 0 0 "[ . 1 . 2]" 2
66 1 13 PHE HB2 1 22 PHE H . . 3.990 3.780 3.412 3.991 0.001 17 0 "[ . 1 . 2]" 2
67 1 35 HIS H 1 36 THR MG . . 4.720 3.962 3.453 4.545 . 0 0 "[ . 1 . 2]" 2
68 1 34 ILE H 1 35 HIS H . . 3.290 2.909 2.806 2.977 . 0 0 "[ . 1 . 2]" 2
69 1 35 HIS H 1 36 THR H . . 3.930 3.207 2.361 3.931 0.001 19 0 "[ . 1 . 2]" 2
70 1 27 TYR H 1 27 TYR QD . . 3.720 2.844 1.924 3.670 . 0 0 "[ . 1 . 2]" 2
71 1 35 HIS H 1 35 HIS HD2 . . 4.000 3.425 3.201 3.641 . 0 0 "[ . 1 . 2]" 2
72 1 33 ARG HA 1 35 HIS H . . 4.600 3.636 3.553 3.740 . 0 0 "[ . 1 . 2]" 2
73 1 32 GLU HA 1 35 HIS H . . 4.080 3.800 3.706 3.883 . 0 0 "[ . 1 . 2]" 2
74 1 15 CYS H 1 15 CYS HB3 . . 3.290 2.817 2.594 2.942 . 0 0 "[ . 1 . 2]" 2
75 1 35 HIS H 1 35 HIS HB2 . . 3.140 2.577 2.514 2.679 . 0 0 "[ . 1 . 2]" 2
76 1 27 TYR H 1 27 TYR HB2 . . 4.030 2.331 2.180 2.644 . 0 0 "[ . 1 . 2]" 2
77 1 14 LYS HB2 1 15 CYS H . . 4.530 4.124 3.802 4.451 . 0 0 "[ . 1 . 2]" 2
78 1 34 ILE HB 1 35 HIS H . . 4.110 4.041 3.954 4.092 . 0 0 "[ . 1 . 2]" 2
79 1 14 LYS HB3 1 15 CYS H . . 4.530 3.894 3.207 4.262 . 0 0 "[ . 1 . 2]" 2
80 1 14 LYS HG2 1 15 CYS H . . 4.430 2.826 2.058 3.553 . 0 0 "[ . 1 . 2]" 2
81 1 14 LYS HG3 1 15 CYS H . . 4.430 2.825 2.060 3.428 . 0 0 "[ . 1 . 2]" 2
82 1 34 ILE HG12 1 35 HIS H . . 4.420 2.848 2.527 3.229 . 0 0 "[ . 1 . 2]" 2
83 1 34 ILE HG13 1 35 HIS H . . 4.420 2.383 2.223 2.692 . 0 0 "[ . 1 . 2]" 2
84 1 34 ILE MG 1 35 HIS H . . 4.110 3.830 3.766 3.893 . 0 0 "[ . 1 . 2]" 2
85 1 27 TYR H 1 27 TYR HB3 . . 4.030 3.545 3.484 3.596 . 0 0 "[ . 1 . 2]" 2
86 1 32 GLU H 1 33 ARG H . . 3.390 2.939 2.807 3.008 . 0 0 "[ . 1 . 2]" 2
87 1 33 ARG H 1 34 ILE H . . 3.420 2.848 2.654 2.959 . 0 0 "[ . 1 . 2]" 2
88 1 31 HIS H 1 33 ARG H . . 4.680 4.148 4.051 4.294 . 0 0 "[ . 1 . 2]" 2
89 1 30 GLN HA 1 33 ARG H . . 4.200 3.814 3.705 3.916 . 0 0 "[ . 1 . 2]" 2
90 1 33 ARG H 1 33 ARG QD . . 4.490 3.807 3.387 4.329 . 0 0 "[ . 1 . 2]" 2
91 1 32 GLU HB2 1 33 ARG H . . 4.040 2.921 2.701 3.110 . 0 0 "[ . 1 . 2]" 2
92 1 32 GLU HB3 1 33 ARG H . . 4.370 3.688 3.518 3.933 . 0 0 "[ . 1 . 2]" 2
93 1 33 ARG H 1 33 ARG HG3 . . 3.840 2.574 2.036 3.496 . 0 0 "[ . 1 . 2]" 2
94 1 31 HIS HD2 1 32 GLU H . . 3.460 2.456 2.318 2.964 . 0 0 "[ . 1 . 2]" 2
95 1 29 THR HA 1 32 GLU H . . 4.020 3.933 3.758 4.021 0.001 15 0 "[ . 1 . 2]" 2
96 1 31 HIS HB3 1 32 GLU H . . 4.150 2.543 2.421 2.799 . 0 0 "[ . 1 . 2]" 2
97 1 31 HIS H 1 32 GLU H . . 3.490 2.896 2.715 3.001 . 0 0 "[ . 1 . 2]" 2
98 1 28 LEU HA 1 32 GLU H . . 4.350 3.705 3.501 3.884 . 0 0 "[ . 1 . 2]" 2
99 1 31 HIS HB2 1 32 GLU H . . 4.150 3.893 3.811 4.078 . 0 0 "[ . 1 . 2]" 2
100 1 32 GLU H 1 32 GLU HG2 . . 4.100 2.910 2.108 3.514 . 0 0 "[ . 1 . 2]" 2
101 1 32 GLU H 1 32 GLU HB2 . . 3.390 2.503 2.327 2.706 . 0 0 "[ . 1 . 2]" 2
102 1 32 GLU H 1 32 GLU HB3 . . 3.770 3.608 3.573 3.628 . 0 0 "[ . 1 . 2]" 2
103 1 34 ILE H 1 34 ILE HB . . 3.660 3.602 3.577 3.611 . 0 0 "[ . 1 . 2]" 2
104 1 28 LEU MD1 1 32 GLU H . . 4.360 3.332 3.035 3.606 . 0 0 "[ . 1 . 2]" 2
105 1 34 ILE H 1 34 ILE HG12 . . 3.920 2.706 2.629 2.740 . 0 0 "[ . 1 . 2]" 2
106 1 34 ILE H 1 34 ILE HG13 . . 3.920 3.537 3.257 3.753 . 0 0 "[ . 1 . 2]" 2
107 1 34 ILE H 1 34 ILE MD . . 4.440 4.016 3.860 4.112 . 0 0 "[ . 1 . 2]" 2
108 1 34 ILE H 1 34 ILE MG . . 3.320 1.877 1.845 1.978 . 0 0 "[ . 1 . 2]" 2
109 1 31 HIS HA 1 34 ILE H . . 4.450 3.482 3.433 3.527 . 0 0 "[ . 1 . 2]" 2
110 1 33 ARG QD 1 34 ILE H . . 5.500 4.801 4.375 5.211 . 0 0 "[ . 1 . 2]" 2
111 1 34 ILE H 1 35 HIS HB2 . . 5.500 5.328 5.140 5.447 . 0 0 "[ . 1 . 2]" 2
112 1 28 LEU HB3 1 29 THR H . . 3.530 2.359 2.036 2.702 . 0 0 "[ . 1 . 2]" 2
113 1 29 THR H 1 30 GLN H . . 3.600 3.115 2.893 3.262 . 0 0 "[ . 1 . 2]" 2
114 1 29 THR H 1 29 THR HB . . 3.350 2.674 2.227 2.853 . 0 0 "[ . 1 . 2]" 2
115 1 28 LEU HG 1 29 THR H . . 4.420 3.284 2.816 3.832 . 0 0 "[ . 1 . 2]" 2
116 1 29 THR H 1 29 THR MG . . 3.850 3.727 2.938 3.784 . 0 0 "[ . 1 . 2]" 2
117 1 28 LEU MD1 1 29 THR H . . 4.900 4.244 4.026 4.458 . 0 0 "[ . 1 . 2]" 2
118 1 28 LEU MD2 1 29 THR H . . 5.130 3.913 3.416 4.488 . 0 0 "[ . 1 . 2]" 2
119 1 16 ASN H 1 17 LYS H . . 4.410 2.416 2.189 2.948 . 0 0 "[ . 1 . 2]" 2
120 1 19 GLU H 1 20 LYS H . . 4.180 2.560 2.495 2.624 . 0 0 "[ . 1 . 2]" 2
121 1 15 CYS HB3 1 19 GLU H . . 3.460 1.966 1.898 2.485 . 0 0 "[ . 1 . 2]" 2
122 1 32 GLU H 1 34 ILE H . . 4.800 4.695 4.535 4.744 . 0 0 "[ . 1 . 2]" 2
123 1 28 LEU MD1 1 31 HIS HD2 . . 3.590 2.565 2.201 2.972 . 0 0 "[ . 1 . 2]" 2
124 1 15 CYS HA 1 28 LEU MD1 . . 3.390 2.554 2.026 3.033 . 0 0 "[ . 1 . 2]" 2
125 1 28 LEU HA 1 28 LEU MD1 . . 3.170 2.113 1.979 2.377 . 0 0 "[ . 1 . 2]" 2
126 1 15 CYS HB2 1 28 LEU MD1 . . 3.550 2.515 2.113 2.840 . 0 0 "[ . 1 . 2]" 2
127 1 28 LEU MD1 1 32 GLU HG2 . . 4.040 2.523 2.053 2.894 . 0 0 "[ . 1 . 2]" 2
128 1 18 CYS HB3 1 35 HIS HE1 . . 3.910 2.238 2.041 2.394 . 0 0 "[ . 1 . 2]" 2
129 1 34 ILE MD 1 35 HIS HE1 . . 4.680 2.375 2.187 2.708 . 0 0 "[ . 1 . 2]" 2
130 1 34 ILE MG 1 35 HIS HE1 . . 5.500 5.404 5.152 5.500 0.000 15 0 "[ . 1 . 2]" 2
131 1 29 THR HA 1 29 THR MG . . 3.200 2.399 2.245 3.150 . 0 0 "[ . 1 . 2]" 2
132 1 29 THR MG 1 30 GLN QB . . 4.750 4.057 2.703 4.622 . 0 0 "[ . 1 . 2]" 2
133 1 21 THR MG 1 22 PHE H . . 3.870 3.743 3.574 3.892 0.022 17 0 "[ . 1 . 2]" 2
134 1 21 THR H 1 21 THR MG . . 3.860 2.585 2.352 2.774 . 0 0 "[ . 1 . 2]" 2
135 1 21 THR HA 1 21 THR MG . . 3.350 2.220 2.150 2.316 . 0 0 "[ . 1 . 2]" 2
136 1 35 HIS HB2 1 36 THR MG . . 4.510 3.751 2.889 4.510 0.000 13 0 "[ . 1 . 2]" 2
137 1 14 LYS QE 1 21 THR MG . . 4.380 3.142 1.809 4.347 . 0 0 "[ . 1 . 2]" 2
138 1 14 LYS HB2 1 21 THR MG . . 4.230 2.575 2.063 2.927 . 0 0 "[ . 1 . 2]" 2
139 1 22 PHE HZ 1 31 HIS HE1 . . 4.990 2.935 2.624 3.387 . 0 0 "[ . 1 . 2]" 2
140 1 20 LYS HB2 1 31 HIS HE1 . . 4.760 4.083 3.754 4.449 . 0 0 "[ . 1 . 2]" 2
141 1 31 HIS HE1 1 34 ILE MG . . 4.430 4.215 3.782 4.434 0.004 14 0 "[ . 1 . 2]" 2
142 1 22 PHE H 1 22 PHE HB2 . . 3.890 2.600 2.486 2.691 . 0 0 "[ . 1 . 2]" 2
143 1 22 PHE HB3 1 27 TYR HB3 . . 3.970 3.632 2.870 3.971 0.001 10 0 "[ . 1 . 2]" 2
144 1 22 PHE HB2 1 28 LEU HA . . 5.290 4.407 4.190 4.695 . 0 0 "[ . 1 . 2]" 2
145 1 22 PHE HB3 1 27 TYR HB2 . . 3.970 3.266 2.595 3.572 . 0 0 "[ . 1 . 2]" 2
146 1 13 PHE HB2 1 22 PHE HB2 . . 3.870 2.970 2.298 3.650 . 0 0 "[ . 1 . 2]" 2
147 1 22 PHE HB3 1 28 LEU HB2 . . 4.670 3.653 3.349 4.062 . 0 0 "[ . 1 . 2]" 2
148 1 22 PHE HB2 1 28 LEU HB2 . . 4.170 2.738 2.486 3.045 . 0 0 "[ . 1 . 2]" 2
149 1 22 PHE HB3 1 28 LEU MD1 . . 5.170 4.634 4.315 4.884 . 0 0 "[ . 1 . 2]" 2
150 1 22 PHE HB3 1 28 LEU MD2 . . 5.500 5.018 4.730 5.440 . 0 0 "[ . 1 . 2]" 2
151 1 22 PHE HB2 1 28 LEU MD1 . . 4.720 3.715 3.438 3.921 . 0 0 "[ . 1 . 2]" 2
152 1 22 PHE HB2 1 28 LEU MD2 . . 5.110 3.694 3.349 4.152 . 0 0 "[ . 1 . 2]" 2
153 1 37 ARG HA 1 37 ARG QD . . 4.620 3.356 1.997 4.440 . 0 0 "[ . 1 . 2]" 2
154 1 29 THR HA 1 32 GLU HG2 . . 4.900 4.503 3.674 4.849 . 0 0 "[ . 1 . 2]" 2
155 1 29 THR HA 1 32 GLU HB2 . . 3.810 3.322 3.064 3.543 . 0 0 "[ . 1 . 2]" 2
156 1 28 LEU HG 1 29 THR HA . . 4.300 3.395 3.167 3.734 . 0 0 "[ . 1 . 2]" 2
157 1 28 LEU MD1 1 29 THR HA . . 5.110 4.528 4.291 4.702 . 0 0 "[ . 1 . 2]" 2
158 1 28 LEU MD2 1 29 THR HA . . 5.500 4.500 4.235 4.953 . 0 0 "[ . 1 . 2]" 2
159 1 17 LYS HA 1 17 LYS QE . . 5.080 3.675 1.973 4.764 . 0 0 "[ . 1 . 2]" 2
160 1 40 LYS HA 1 40 LYS QE . . 5.500 4.371 1.983 5.363 . 0 0 "[ . 1 . 2]" 2
161 1 17 LYS HB2 1 17 LYS QE . . 4.880 3.883 2.213 4.466 . 0 0 "[ . 1 . 2]" 2
162 1 28 LEU HB3 1 28 LEU MD2 . . 3.430 2.289 2.148 2.402 . 0 0 "[ . 1 . 2]" 2
163 1 28 LEU HB2 1 28 LEU MD1 . . 3.650 2.342 2.180 2.430 . 0 0 "[ . 1 . 2]" 2
164 1 34 ILE MG 1 35 HIS HD2 . . 5.500 5.291 4.872 5.503 0.003 12 0 "[ . 1 . 2]" 2
165 1 13 PHE HB3 1 25 SER HA . . 5.270 3.770 2.888 4.790 . 0 0 "[ . 1 . 2]" 2
166 1 34 ILE HA 1 34 ILE HG12 . . 4.140 3.868 3.789 3.952 . 0 0 "[ . 1 . 2]" 2
167 1 34 ILE HA 1 34 ILE HG13 . . 4.140 3.575 3.538 3.621 . 0 0 "[ . 1 . 2]" 2
168 1 34 ILE HA 1 34 ILE MD . . 4.280 4.119 4.051 4.162 . 0 0 "[ . 1 . 2]" 2
169 1 34 ILE HA 1 34 ILE MG . . 3.280 2.423 2.390 2.461 . 0 0 "[ . 1 . 2]" 2
170 1 33 ARG HB2 1 34 ILE HA . . 4.850 4.175 4.060 4.331 . 0 0 "[ . 1 . 2]" 2
171 1 13 PHE HB2 1 28 LEU HB2 . . 4.230 3.360 2.924 3.866 . 0 0 "[ . 1 . 2]" 2
172 1 13 PHE QE 1 25 SER HB3 . . 4.730 3.836 2.545 4.731 0.001 10 0 "[ . 1 . 2]" 2
173 1 13 PHE HZ 1 25 SER HB3 . . 5.230 4.227 2.488 5.224 . 0 0 "[ . 1 . 2]" 2
174 1 13 PHE QE 1 25 SER HB2 . . 4.730 3.545 2.506 4.704 . 0 0 "[ . 1 . 2]" 2
175 1 36 THR HA 1 36 THR MG . . 3.430 2.430 2.000 3.196 . 0 0 "[ . 1 . 2]" 2
176 1 31 HIS HE1 1 34 ILE MD . . 3.410 2.297 1.966 2.501 . 0 0 "[ . 1 . 2]" 2
177 1 22 PHE HA 1 22 PHE QD . . 3.750 2.976 2.701 3.143 . 0 0 "[ . 1 . 2]" 2
178 1 31 HIS HA 1 34 ILE MD . . 4.720 4.382 4.120 4.650 . 0 0 "[ . 1 . 2]" 2
179 1 21 THR HB 1 22 PHE QD . . 5.500 5.228 4.822 5.495 . 0 0 "[ . 1 . 2]" 2
180 1 22 PHE QD 1 27 TYR HB2 . . 3.940 3.771 3.498 3.939 . 0 0 "[ . 1 . 2]" 2
181 1 22 PHE QD 1 28 LEU HB3 . . 4.750 4.601 4.026 4.749 . 0 0 "[ . 1 . 2]" 2
182 1 34 ILE HB 1 34 ILE MD . . 3.390 2.318 2.089 2.449 . 0 0 "[ . 1 . 2]" 2
183 1 22 PHE QD 1 28 LEU HG . . 5.100 4.908 4.376 5.082 . 0 0 "[ . 1 . 2]" 2
184 1 22 PHE QD 1 28 LEU HB2 . . 3.930 3.045 2.328 3.289 . 0 0 "[ . 1 . 2]" 2
185 1 22 PHE QD 1 28 LEU MD1 . . 3.410 2.341 1.986 2.583 . 0 0 "[ . 1 . 2]" 2
186 1 32 GLU HA 1 32 GLU HG2 . . 4.010 2.468 2.254 2.681 . 0 0 "[ . 1 . 2]" 2
187 1 28 LEU HG 1 32 GLU HG2 . . 4.540 3.364 2.635 3.810 . 0 0 "[ . 1 . 2]" 2
188 1 32 GLU H 1 32 GLU HG3 . . 4.100 2.810 1.968 3.583 . 0 0 "[ . 1 . 2]" 2
189 1 31 HIS HD2 1 32 GLU HG3 . . 4.470 3.579 2.703 4.377 . 0 0 "[ . 1 . 2]" 2
190 1 31 HIS HA 1 34 ILE HB . . 5.500 5.512 5.481 5.540 0.040 19 0 "[ . 1 . 2]" 2
191 1 29 THR HA 1 32 GLU HG3 . . 4.900 3.288 2.891 3.770 . 0 0 "[ . 1 . 2]" 2
192 1 22 PHE HB3 1 27 TYR QD . . 5.130 4.411 3.233 5.132 0.002 7 0 "[ . 1 . 2]" 2
193 1 28 LEU HG 1 32 GLU HG3 . . 4.540 2.785 2.240 3.320 . 0 0 "[ . 1 . 2]" 2
194 1 28 LEU MD1 1 32 GLU HG3 . . 4.040 2.876 2.017 3.679 . 0 0 "[ . 1 . 2]" 2
195 1 13 PHE QD 1 25 SER HA . . 4.290 3.318 2.889 3.783 . 0 0 "[ . 1 . 2]" 2
196 1 25 SER HA 1 28 LEU H . . 4.610 3.312 2.790 3.692 . 0 0 "[ . 1 . 2]" 2
197 1 27 TYR HA 1 27 TYR QD . . 3.350 2.488 1.990 3.063 . 0 0 "[ . 1 . 2]" 2
198 1 27 TYR QD 1 30 GLN QB . . 5.490 4.957 4.337 5.491 0.001 13 0 "[ . 1 . 2]" 2
199 1 25 SER HA 1 28 LEU HB3 . . 3.560 2.733 2.231 3.394 . 0 0 "[ . 1 . 2]" 2
200 1 26 LYS QD 1 27 TYR QD . . 5.500 3.423 2.574 4.864 . 0 0 "[ . 1 . 2]" 2
201 1 25 SER HA 1 28 LEU HB2 . . 4.210 3.705 3.208 4.114 . 0 0 "[ . 1 . 2]" 2
202 1 25 SER HA 1 28 LEU MD2 . . 4.230 3.465 3.005 4.158 . 0 0 "[ . 1 . 2]" 2
203 1 13 PHE HA 1 13 PHE QD . . 4.120 2.811 2.444 3.198 . 0 0 "[ . 1 . 2]" 2
204 1 12 CYS HA 1 13 PHE QD . . 4.580 3.719 3.036 4.413 . 0 0 "[ . 1 . 2]" 2
205 1 13 PHE QD 1 24 CYS HA . . 4.930 3.436 2.474 4.440 . 0 0 "[ . 1 . 2]" 2
206 1 11 LYS QE 1 13 PHE QE . . 4.770 3.609 1.920 4.624 . 0 0 "[ . 1 . 2]" 2
207 1 13 PHE QE 1 28 LEU MD2 . . 5.210 4.862 4.328 5.206 . 0 0 "[ . 1 . 2]" 2
208 1 13 PHE QE 1 24 CYS HA . . 4.310 3.092 2.194 4.180 . 0 0 "[ . 1 . 2]" 2
209 1 22 PHE QD 1 27 TYR HB3 . . 3.940 2.996 2.435 3.447 . 0 0 "[ . 1 . 2]" 2
210 1 15 CYS H 1 22 PHE QE . . 4.600 3.481 2.810 4.257 . 0 0 "[ . 1 . 2]" 2
211 1 32 GLU HA 1 34 ILE H . . 4.420 4.353 4.116 4.416 . 0 0 "[ . 1 . 2]" 2
212 1 31 HIS HD2 1 32 GLU HA . . 3.590 2.340 2.158 2.595 . 0 0 "[ . 1 . 2]" 2
213 1 32 GLU HA 1 35 HIS HD2 . . 3.260 2.132 1.997 2.412 . 0 0 "[ . 1 . 2]" 2
214 1 15 CYS HB3 1 22 PHE QE . . 4.210 3.790 3.511 4.206 . 0 0 "[ . 1 . 2]" 2
215 1 32 GLU HA 1 35 HIS HB2 . . 4.500 4.038 3.839 4.252 . 0 0 "[ . 1 . 2]" 2
216 1 22 PHE QE 1 31 HIS HB2 . . 4.580 3.475 2.665 3.986 . 0 0 "[ . 1 . 2]" 2
217 1 15 CYS HB2 1 22 PHE QE . . 3.650 2.275 2.000 2.610 . 0 0 "[ . 1 . 2]" 2
218 1 32 GLU HA 1 32 GLU HG3 . . 4.010 3.348 2.891 3.750 . 0 0 "[ . 1 . 2]" 2
219 1 20 LYS QD 1 22 PHE QE . . 4.590 4.249 3.997 4.590 0.000 10 0 "[ . 1 . 2]" 2
220 1 20 LYS HB2 1 22 PHE QE . . 4.050 3.076 2.743 3.460 . 0 0 "[ . 1 . 2]" 2
221 1 20 LYS HB3 1 22 PHE QE . . 4.060 3.580 3.281 3.903 . 0 0 "[ . 1 . 2]" 2
222 1 22 PHE QE 1 28 LEU MD1 . . 3.840 2.330 2.054 2.632 . 0 0 "[ . 1 . 2]" 2
223 1 28 LEU MD1 1 32 GLU HA . . 4.770 3.990 3.790 4.239 . 0 0 "[ . 1 . 2]" 2
224 1 21 THR HA 1 22 PHE QE . . 5.370 4.735 4.386 5.022 . 0 0 "[ . 1 . 2]" 2
225 1 26 LYS HA 1 29 THR H . . 4.360 3.730 3.272 4.140 . 0 0 "[ . 1 . 2]" 2
226 1 26 LYS HA 1 29 THR HB . . 3.510 2.933 2.579 3.521 0.011 8 0 "[ . 1 . 2]" 2
227 1 13 PHE HZ 1 25 SER HB2 . . 5.230 3.911 2.705 5.223 . 0 0 "[ . 1 . 2]" 2
228 1 11 LYS QE 1 13 PHE HZ . . 5.270 3.772 2.031 4.965 . 0 0 "[ . 1 . 2]" 2
229 1 31 HIS HA 1 31 HIS HD2 . . 5.250 4.362 4.277 4.498 . 0 0 "[ . 1 . 2]" 2
230 1 31 HIS HA 1 33 ARG H . . 5.430 3.754 3.503 3.932 . 0 0 "[ . 1 . 2]" 2
231 1 30 GLN HA 1 31 HIS HA . . 5.090 4.838 4.793 4.869 . 0 0 "[ . 1 . 2]" 2
232 1 31 HIS HA 1 34 ILE MG . . 4.210 2.559 2.496 2.679 . 0 0 "[ . 1 . 2]" 2
233 1 30 GLN HA 1 33 ARG QD . . 3.980 3.169 1.990 3.952 . 0 0 "[ . 1 . 2]" 2
234 1 30 GLN HA 1 30 GLN HG2 . . 4.180 2.936 2.180 3.857 . 0 0 "[ . 1 . 2]" 2
235 1 30 GLN HA 1 30 GLN HG3 . . 4.180 2.992 2.374 3.741 . 0 0 "[ . 1 . 2]" 2
236 1 14 LYS HB2 1 14 LYS QE . . 4.880 3.513 2.138 4.155 . 0 0 "[ . 1 . 2]" 2
237 1 14 LYS HB3 1 14 LYS QE . . 4.880 3.578 2.203 4.151 . 0 0 "[ . 1 . 2]" 2
238 1 15 CYS HB2 1 22 PHE HZ . . 4.780 4.231 3.732 4.694 . 0 0 "[ . 1 . 2]" 2
239 1 14 LYS HB3 1 21 THR MG . . 4.230 3.981 3.563 4.217 . 0 0 "[ . 1 . 2]" 2
240 1 33 ARG HA 1 33 ARG QD . . 4.390 3.499 2.010 4.228 . 0 0 "[ . 1 . 2]" 2
241 1 22 PHE HZ 1 31 HIS HB2 . . 4.570 3.753 3.531 4.199 . 0 0 "[ . 1 . 2]" 2
242 1 33 ARG HA 1 33 ARG HG3 . . 4.130 3.353 2.951 3.842 . 0 0 "[ . 1 . 2]" 2
243 1 20 LYS QD 1 22 PHE HZ . . 4.190 3.855 3.361 4.191 0.001 10 0 "[ . 1 . 2]" 2
244 1 20 LYS HB2 1 22 PHE HZ . . 4.370 3.472 3.069 3.807 . 0 0 "[ . 1 . 2]" 2
245 1 33 ARG HA 1 36 THR MG . . 4.230 2.937 1.886 4.044 . 0 0 "[ . 1 . 2]" 2
246 1 22 PHE QD 1 28 LEU HA . . 4.030 3.733 3.252 4.007 . 0 0 "[ . 1 . 2]" 2
247 1 28 LEU HA 1 31 HIS HB2 . . 3.870 3.543 3.364 3.824 . 0 0 "[ . 1 . 2]" 2
248 1 28 LEU HA 1 31 HIS HB3 . . 3.870 2.180 2.041 2.377 . 0 0 "[ . 1 . 2]" 2
249 1 28 LEU HA 1 28 LEU HG . . 4.110 3.238 3.132 3.324 . 0 0 "[ . 1 . 2]" 2
250 1 20 LYS HA 1 20 LYS HG2 . . 3.610 2.412 2.201 3.468 . 0 0 "[ . 1 . 2]" 2
251 1 20 LYS HA 1 20 LYS HG3 . . 3.610 2.888 2.159 3.143 . 0 0 "[ . 1 . 2]" 2
252 1 20 LYS HA 1 21 THR MG . . 4.460 3.868 3.648 4.029 . 0 0 "[ . 1 . 2]" 2
253 1 15 CYS HB3 1 19 GLU HA . . 4.500 2.940 2.695 3.826 . 0 0 "[ . 1 . 2]" 2
254 1 14 LYS QE 1 19 GLU HA . . 3.940 3.332 2.561 3.937 . 0 0 "[ . 1 . 2]" 2
255 1 27 TYR HA 1 30 GLN QB . . 3.940 3.515 3.288 3.703 . 0 0 "[ . 1 . 2]" 2
256 1 14 LYS HG2 1 19 GLU HA . . 4.500 2.809 2.279 3.207 . 0 0 "[ . 1 . 2]" 2
257 1 14 LYS HG3 1 19 GLU HA . . 4.500 3.576 2.692 4.113 . 0 0 "[ . 1 . 2]" 2
258 1 30 GLN H 1 30 GLN HG3 . . 5.050 4.028 2.757 4.568 . 0 0 "[ . 1 . 2]" 2
259 1 20 LYS HB2 1 21 THR H . . 4.560 4.278 4.103 4.531 . 0 0 "[ . 1 . 2]" 2
260 1 31 HIS HD2 1 35 HIS HD2 . . 4.670 3.677 3.366 4.017 . 0 0 "[ . 1 . 2]" 2
261 1 20 LYS HB3 1 22 PHE HZ . . 4.460 3.883 3.330 4.317 . 0 0 "[ . 1 . 2]" 2
262 1 35 HIS HB2 1 35 HIS HD2 . . 3.490 2.692 2.689 2.700 . 0 0 "[ . 1 . 2]" 2
263 1 20 LYS HB3 1 20 LYS QD . . 3.420 2.444 2.128 3.225 . 0 0 "[ . 1 . 2]" 2
264 1 28 LEU HA 1 31 HIS HD2 . . 4.080 3.880 3.581 4.046 . 0 0 "[ . 1 . 2]" 2
265 1 17 LYS HB3 1 17 LYS QE . . 4.880 3.522 1.982 4.411 . 0 0 "[ . 1 . 2]" 2
266 1 22 PHE QE 1 31 HIS HD2 . . 4.230 3.853 3.291 4.035 . 0 0 "[ . 1 . 2]" 2
267 1 31 HIS HD2 1 32 GLU HG2 . . 4.470 2.733 2.299 3.446 . 0 0 "[ . 1 . 2]" 2
268 1 17 LYS HA 1 17 LYS HG2 . . 3.920 2.837 2.157 3.598 . 0 0 "[ . 1 . 2]" 2
269 1 17 LYS HA 1 17 LYS HG3 . . 3.920 3.313 2.202 3.879 . 0 0 "[ . 1 . 2]" 2
270 1 11 LYS QB 1 13 PHE QE . . 4.990 4.007 2.620 4.928 . 0 0 "[ . 1 . 2]" 2
271 1 11 LYS QB 1 13 PHE HZ . . 5.500 4.274 2.758 5.280 . 0 0 "[ . 1 . 2]" 2
272 1 18 CYS HB2 1 19 GLU HA . . 5.500 5.503 5.493 5.514 0.014 17 0 "[ . 1 . 2]" 2
273 1 18 CYS HB3 1 19 GLU H . . 4.190 4.013 3.918 4.182 . 0 0 "[ . 1 . 2]" 2
274 1 18 CYS HB2 1 19 GLU H . . 3.960 3.830 3.785 3.879 . 0 0 "[ . 1 . 2]" 2
275 1 18 CYS HB3 1 20 LYS H . . 4.830 4.819 4.776 4.833 0.003 10 0 "[ . 1 . 2]" 2
276 1 18 CYS HB2 1 35 HIS HE1 . . 3.950 3.919 3.716 3.953 0.003 16 0 "[ . 1 . 2]" 2
277 1 10 GLU HB2 1 11 LYS H . . 5.480 4.188 2.434 4.656 . 0 0 "[ . 1 . 2]" 2
278 1 10 GLU HB3 1 11 LYS H . . 5.480 3.702 2.657 4.522 . 0 0 "[ . 1 . 2]" 2
279 1 33 ARG HB2 1 34 ILE H . . 4.840 2.456 2.386 2.702 . 0 0 "[ . 1 . 2]" 2
280 1 33 ARG HB3 1 34 ILE H . . 4.840 3.506 3.402 3.615 . 0 0 "[ . 1 . 2]" 2
281 1 33 ARG H 1 33 ARG HB2 . . 3.770 2.540 2.391 2.656 . 0 0 "[ . 1 . 2]" 2
282 1 33 ARG H 1 33 ARG HB3 . . 3.770 3.589 3.576 3.597 . 0 0 "[ . 1 . 2]" 2
283 1 33 ARG HB3 1 34 ILE HA . . 4.850 4.396 4.282 4.531 . 0 0 "[ . 1 . 2]" 2
284 1 29 THR HA 1 32 GLU HB3 . . 4.900 4.805 4.529 4.904 0.004 17 0 "[ . 1 . 2]" 2
285 1 28 LEU MD1 1 32 GLU HB2 . . 4.840 4.448 4.124 4.792 . 0 0 "[ . 1 . 2]" 2
286 1 28 LEU MD1 1 32 GLU HB3 . . 5.030 4.822 4.438 5.028 . 0 0 "[ . 1 . 2]" 2
287 1 15 CYS HB3 1 17 LYS H . . 4.930 3.874 2.765 4.287 . 0 0 "[ . 1 . 2]" 2
288 1 15 CYS H 1 15 CYS HB2 . . 3.360 2.355 2.183 2.682 . 0 0 "[ . 1 . 2]" 2
289 1 15 CYS HB3 1 20 LYS H . . 4.260 2.217 1.959 2.567 . 0 0 "[ . 1 . 2]" 2
290 1 15 CYS HB2 1 20 LYS H . . 4.920 2.778 2.468 3.609 . 0 0 "[ . 1 . 2]" 2
291 1 15 CYS HB3 1 18 CYS H . . 3.980 3.201 2.526 3.463 . 0 0 "[ . 1 . 2]" 2
292 1 15 CYS HB2 1 22 PHE QD . . 4.920 3.872 3.622 4.169 . 0 0 "[ . 1 . 2]" 2
293 1 15 CYS HB3 1 31 HIS HD2 . . 5.300 4.965 4.778 5.220 . 0 0 "[ . 1 . 2]" 2
294 1 15 CYS HB2 1 31 HIS HD2 . . 4.010 3.949 3.774 4.013 0.003 7 0 "[ . 1 . 2]" 2
295 1 14 LYS HG2 1 15 CYS HB3 . . 5.500 4.500 4.051 4.864 . 0 0 "[ . 1 . 2]" 2
296 1 15 CYS HB3 1 20 LYS HB2 . . 5.250 3.863 3.662 4.008 . 0 0 "[ . 1 . 2]" 2
297 1 15 CYS HB2 1 20 LYS HB2 . . 4.430 3.624 3.287 4.347 . 0 0 "[ . 1 . 2]" 2
298 1 15 CYS HB2 1 20 LYS HB3 . . 5.500 4.837 4.451 5.313 . 0 0 "[ . 1 . 2]" 2
299 1 14 LYS HG3 1 15 CYS HB3 . . 5.500 4.959 4.135 5.444 . 0 0 "[ . 1 . 2]" 2
300 1 15 CYS HB3 1 20 LYS HB3 . . 5.500 5.343 5.104 5.493 . 0 0 "[ . 1 . 2]" 2
301 1 15 CYS HB3 1 28 LEU MD1 . . 4.070 3.823 3.536 4.062 . 0 0 "[ . 1 . 2]" 2
302 1 11 LYS HA 1 11 LYS HD3 . . 5.390 4.367 2.193 5.391 0.001 15 0 "[ . 1 . 2]" 2
303 1 27 TYR HA 1 27 TYR QE . . 4.960 4.385 4.146 4.564 . 0 0 "[ . 1 . 2]" 2
304 1 26 LYS QE 1 27 TYR QE . . 4.690 3.465 1.955 4.694 0.004 8 0 "[ . 1 . 2]" 2
305 1 26 LYS QD 1 27 TYR QE . . 4.790 3.592 2.768 4.748 . 0 0 "[ . 1 . 2]" 2
306 1 17 LYS HD2 1 35 HIS HB3 . . 4.890 3.643 2.523 4.880 . 0 0 "[ . 1 . 2]" 2
307 1 17 LYS HD3 1 35 HIS HB3 . . 4.890 3.746 2.100 4.896 0.006 7 0 "[ . 1 . 2]" 2
308 1 17 LYS HA 1 17 LYS HD2 . . 4.530 3.625 2.157 4.562 0.032 6 0 "[ . 1 . 2]" 2
309 1 17 LYS HA 1 17 LYS HD3 . . 4.530 3.362 2.165 4.505 . 0 0 "[ . 1 . 2]" 2
310 1 20 LYS HA 1 20 LYS QD . . 4.180 3.917 3.092 4.080 . 0 0 "[ . 1 . 2]" 2
311 1 20 LYS H 1 20 LYS QD . . 4.790 4.253 2.799 4.568 . 0 0 "[ . 1 . 2]" 2
312 1 20 LYS QD 1 31 HIS HE1 . . 4.030 3.456 2.581 3.782 . 0 0 "[ . 1 . 2]" 2
313 1 20 LYS QD 1 21 THR H . . 5.130 4.955 4.439 5.125 . 0 0 "[ . 1 . 2]" 2
314 1 20 LYS HB2 1 20 LYS QD . . 3.210 2.451 2.237 2.696 . 0 0 "[ . 1 . 2]" 2
315 1 11 LYS HA 1 11 LYS HD2 . . 5.390 4.281 2.183 5.399 0.009 5 0 "[ . 1 . 2]" 2
316 1 12 CYS QB 1 21 THR MG . . 4.350 3.565 2.836 4.224 . 0 0 "[ . 1 . 2]" 2
317 1 13 PHE HB2 1 25 SER HA . . 4.760 3.587 2.906 4.166 . 0 0 "[ . 1 . 2]" 2
318 1 20 LYS H 1 20 LYS HG3 . . 4.570 3.322 2.898 4.034 . 0 0 "[ . 1 . 2]" 2
319 1 12 CYS QB 1 21 THR HB . . 4.450 3.949 3.088 4.446 . 0 0 "[ . 1 . 2]" 2
320 1 21 THR H 1 21 THR HB . . 4.080 3.624 3.602 3.670 . 0 0 "[ . 1 . 2]" 2
321 1 21 THR HA 1 22 PHE QD . . 3.950 3.372 2.918 3.793 . 0 0 "[ . 1 . 2]" 2
322 1 26 LYS HA 1 30 GLN QB . . 5.000 4.810 4.171 5.003 0.003 13 0 "[ . 1 . 2]" 2
323 1 13 PHE HB3 1 28 LEU MD2 . . 3.480 1.857 1.780 1.942 . 0 0 "[ . 1 . 2]" 2
324 1 28 LEU HA 1 28 LEU MD2 . . 4.200 3.911 3.827 3.953 . 0 0 "[ . 1 . 2]" 2
325 1 13 PHE HA 1 28 LEU MD2 . . 4.060 3.444 3.086 3.813 . 0 0 "[ . 1 . 2]" 2
326 1 13 PHE QD 1 28 LEU MD2 . . 3.880 3.235 2.383 3.489 . 0 0 "[ . 1 . 2]" 2
327 1 13 PHE HB3 1 28 LEU HB2 . . 4.420 3.691 3.020 4.259 . 0 0 "[ . 1 . 2]" 2
328 1 15 CYS H 1 28 LEU MD1 . . 4.230 3.257 2.711 3.869 . 0 0 "[ . 1 . 2]" 2
329 1 28 LEU MD1 1 31 HIS HB2 . . 4.830 4.357 4.098 4.709 . 0 0 "[ . 1 . 2]" 2
330 1 26 LYS HA 1 30 GLN H . . 4.240 3.986 3.779 4.233 . 0 0 "[ . 1 . 2]" 2
331 1 22 PHE HB2 1 23 SER HA . . 5.210 5.023 4.774 5.207 . 0 0 "[ . 1 . 2]" 2
332 1 22 PHE HB3 1 23 SER HA . . 4.750 4.603 4.507 4.708 . 0 0 "[ . 1 . 2]" 2
333 1 22 PHE QE 1 28 LEU HA . . 4.480 3.733 3.357 3.982 . 0 0 "[ . 1 . 2]" 2
334 1 28 LEU HB2 1 29 THR H . . 4.620 3.783 3.573 4.001 . 0 0 "[ . 1 . 2]" 2
335 1 13 PHE HB3 1 28 LEU HB3 . . 4.760 3.691 3.181 4.278 . 0 0 "[ . 1 . 2]" 2
336 1 13 PHE HB2 1 28 LEU HB3 . . 5.150 3.871 3.395 4.252 . 0 0 "[ . 1 . 2]" 2
337 1 30 GLN HA 1 33 ARG HG2 . . 4.600 3.631 2.564 4.350 . 0 0 "[ . 1 . 2]" 2
338 1 29 THR MG 1 30 GLN HA . . 4.460 3.341 2.845 3.566 . 0 0 "[ . 1 . 2]" 2
339 1 28 LEU MD1 1 31 HIS HB3 . . 4.830 3.071 2.833 3.378 . 0 0 "[ . 1 . 2]" 2
340 1 22 PHE HZ 1 31 HIS HB3 . . 4.570 3.913 3.490 4.296 . 0 0 "[ . 1 . 2]" 2
341 1 22 PHE QE 1 31 HIS HB3 . . 4.580 3.886 3.180 4.247 . 0 0 "[ . 1 . 2]" 2
342 1 33 ARG HA 1 33 ARG HG2 . . 4.130 2.619 2.329 3.007 . 0 0 "[ . 1 . 2]" 2
343 1 33 ARG H 1 33 ARG HG2 . . 3.840 2.868 1.904 3.456 . 0 0 "[ . 1 . 2]" 2
344 1 30 GLN HA 1 33 ARG HG3 . . 4.600 2.616 2.397 2.984 . 0 0 "[ . 1 . 2]" 2
345 1 35 HIS HB3 1 35 HIS HD2 . . 3.790 3.670 3.598 3.755 . 0 0 "[ . 1 . 2]" 2
346 1 35 HIS H 1 35 HIS HB3 . . 3.830 3.650 3.633 3.688 . 0 0 "[ . 1 . 2]" 2
347 1 42 GLY QA 1 43 PRO QD . . 3.500 1.974 1.906 2.134 . 0 0 "[ . 1 . 2]" 2
348 1 10 GLU H 1 10 GLU QB . . 3.670 2.503 2.174 3.288 . 0 0 "[ . 1 . 2]" 2
349 1 11 LYS H 1 11 LYS QG . . 4.590 3.454 1.916 4.154 . 0 0 "[ . 1 . 2]" 2
350 1 11 LYS HA 1 11 LYS QG . . 3.700 2.651 2.302 3.343 . 0 0 "[ . 1 . 2]" 2
351 1 11 LYS HA 1 11 LYS QD . . 4.590 3.745 2.166 4.286 . 0 0 "[ . 1 . 2]" 2
352 1 11 LYS QD 1 13 PHE QE . . 4.730 3.214 1.934 4.663 . 0 0 "[ . 1 . 2]" 2
353 1 11 LYS QD 1 13 PHE HZ . . 4.850 3.304 2.140 4.509 . 0 0 "[ . 1 . 2]" 2
354 1 13 PHE HZ 1 25 SER QB . . 4.500 3.274 2.468 4.337 . 0 0 "[ . 1 . 2]" 2
355 1 14 LYS H 1 14 LYS QB . . 3.110 2.398 2.276 2.522 . 0 0 "[ . 1 . 2]" 2
356 1 14 LYS QB 1 19 GLU HA . . 5.290 4.598 4.140 5.036 . 0 0 "[ . 1 . 2]" 2
357 1 14 LYS QB 1 21 THR MG . . 3.660 2.542 2.052 2.868 . 0 0 "[ . 1 . 2]" 2
358 1 14 LYS QG 1 15 CYS H . . 3.850 2.450 1.981 3.020 . 0 0 "[ . 1 . 2]" 2
359 1 14 LYS QG 1 15 CYS HB2 . . 5.340 4.377 4.098 4.662 . 0 0 "[ . 1 . 2]" 2
360 1 14 LYS QG 1 15 CYS HB3 . . 4.680 4.140 3.878 4.463 . 0 0 "[ . 1 . 2]" 2
361 1 14 LYS QG 1 21 THR MG . . 3.960 2.520 1.996 3.340 . 0 0 "[ . 1 . 2]" 2
362 1 14 LYS QD 1 19 GLU HA . . 5.340 4.069 3.271 4.873 . 0 0 "[ . 1 . 2]" 2
363 1 14 LYS QD 1 21 THR MG . . 4.630 2.729 1.812 4.050 . 0 0 "[ . 1 . 2]" 2
364 1 16 ASN QB 1 17 LYS QG . . 4.760 3.664 2.745 4.766 0.006 7 0 "[ . 1 . 2]" 2
365 1 17 LYS H 1 17 LYS QB . . 3.520 2.406 2.119 2.612 . 0 0 "[ . 1 . 2]" 2
366 1 17 LYS H 1 17 LYS QG . . 4.570 2.795 1.890 3.773 . 0 0 "[ . 1 . 2]" 2
367 1 17 LYS HA 1 17 LYS QG . . 3.440 2.507 2.122 2.882 . 0 0 "[ . 1 . 2]" 2
368 1 17 LYS QB 1 17 LYS QD . . 3.190 2.238 2.051 2.527 . 0 0 "[ . 1 . 2]" 2
369 1 17 LYS QB 1 17 LYS QE . . 4.270 3.178 1.969 3.768 . 0 0 "[ . 1 . 2]" 2
370 1 17 LYS QB 1 35 HIS HD2 . . 4.310 3.198 2.804 3.657 . 0 0 "[ . 1 . 2]" 2
371 1 17 LYS QB 1 35 HIS HE1 . . 4.390 3.316 2.847 3.875 . 0 0 "[ . 1 . 2]" 2
372 1 17 LYS QE 1 17 LYS QG . . 3.340 2.205 2.030 2.341 . 0 0 "[ . 1 . 2]" 2
373 1 17 LYS QG 1 35 HIS HB3 . . 4.650 2.649 2.000 4.087 . 0 0 "[ . 1 . 2]" 2
374 1 17 LYS QG 1 35 HIS HD2 . . 5.340 3.715 2.818 4.653 . 0 0 "[ . 1 . 2]" 2
375 1 17 LYS QD 1 35 HIS HB3 . . 4.190 3.048 2.071 4.096 . 0 0 "[ . 1 . 2]" 2
376 1 17 LYS QD 1 35 HIS HD2 . . 5.130 4.409 2.326 5.129 . 0 0 "[ . 1 . 2]" 2
377 1 18 CYS HB3 1 19 GLU QG . . 5.340 5.247 5.179 5.326 . 0 0 "[ . 1 . 2]" 2
378 1 19 GLU H 1 19 GLU QG . . 3.580 2.772 2.672 2.817 . 0 0 "[ . 1 . 2]" 2
379 1 19 GLU HA 1 19 GLU QG . . 3.640 2.697 2.578 2.965 . 0 0 "[ . 1 . 2]" 2
380 1 19 GLU QB 1 20 LYS HA . . 4.820 4.262 4.247 4.275 . 0 0 "[ . 1 . 2]" 2
381 1 20 LYS H 1 20 LYS QG . . 3.840 3.191 2.838 3.776 . 0 0 "[ . 1 . 2]" 2
382 1 20 LYS HA 1 20 LYS QG . . 3.150 2.240 2.139 2.375 . 0 0 "[ . 1 . 2]" 2
383 1 20 LYS QG 1 21 THR H . . 4.600 3.684 3.484 3.885 . 0 0 "[ . 1 . 2]" 2
384 1 20 LYS QG 1 31 HIS HE1 . . 5.330 4.890 4.356 5.337 0.007 7 0 "[ . 1 . 2]" 2
385 1 22 PHE HB2 1 27 TYR QB . . 4.940 4.133 3.592 4.420 . 0 0 "[ . 1 . 2]" 2
386 1 22 PHE HB3 1 27 TYR QB . . 3.470 3.024 2.529 3.310 . 0 0 "[ . 1 . 2]" 2
387 1 22 PHE QE 1 27 TYR QB . . 5.320 4.024 3.726 4.337 . 0 0 "[ . 1 . 2]" 2
388 1 22 PHE QE 1 31 HIS QB . . 4.000 3.236 2.536 3.655 . 0 0 "[ . 1 . 2]" 2
389 1 22 PHE HZ 1 31 HIS QB . . 3.950 3.405 3.127 3.775 . 0 0 "[ . 1 . 2]" 2
390 1 23 SER QB 1 27 TYR QD . . 5.080 4.041 2.256 5.055 . 0 0 "[ . 1 . 2]" 2
391 1 24 CYS H 1 24 CYS QB . . 3.690 2.541 2.301 3.047 . 0 0 "[ . 1 . 2]" 2
392 1 24 CYS H 1 27 TYR QB . . 4.510 3.133 2.882 3.975 . 0 0 "[ . 1 . 2]" 2
393 1 26 LYS HA 1 26 LYS QG . . 3.510 2.999 2.147 3.438 . 0 0 "[ . 1 . 2]" 2
394 1 26 LYS QB 1 27 TYR H . . 4.170 2.973 2.028 3.634 . 0 0 "[ . 1 . 2]" 2
395 1 26 LYS QB 1 27 TYR QD . . 5.340 4.208 2.670 5.124 . 0 0 "[ . 1 . 2]" 2
396 1 26 LYS QG 1 27 TYR QD . . 4.730 3.439 1.961 4.722 . 0 0 "[ . 1 . 2]" 2
397 1 27 TYR H 1 27 TYR QB . . 3.400 2.300 2.159 2.580 . 0 0 "[ . 1 . 2]" 2
398 1 28 LEU HA 1 31 HIS QB . . 3.230 2.161 2.024 2.355 . 0 0 "[ . 1 . 2]" 2
399 1 28 LEU MD1 1 31 HIS QB . . 3.960 3.012 2.787 3.307 . 0 0 "[ . 1 . 2]" 2
400 1 28 LEU MD1 1 32 GLU QG . . 3.440 2.283 1.936 2.560 . 0 0 "[ . 1 . 2]" 2
401 1 29 THR HA 1 32 GLU QG . . 4.180 3.199 2.823 3.617 . 0 0 "[ . 1 . 2]" 2
402 1 30 GLN HA 1 30 GLN QG . . 3.530 2.491 2.138 3.015 . 0 0 "[ . 1 . 2]" 2
403 1 30 GLN HA 1 33 ARG QB . . 5.020 3.960 3.821 4.148 . 0 0 "[ . 1 . 2]" 2
404 1 30 GLN HA 1 33 ARG QG . . 3.860 2.488 2.226 2.687 . 0 0 "[ . 1 . 2]" 2
405 1 30 GLN QG 1 31 HIS H . . 4.610 3.980 3.360 4.370 . 0 0 "[ . 1 . 2]" 2
406 1 31 HIS H 1 31 HIS QB . . 2.850 2.167 2.150 2.190 . 0 0 "[ . 1 . 2]" 2
407 1 31 HIS HA 1 33 ARG QG . . 5.060 4.725 4.506 4.879 . 0 0 "[ . 1 . 2]" 2
408 1 31 HIS QB 1 32 GLU H . . 3.380 2.511 2.396 2.753 . 0 0 "[ . 1 . 2]" 2
409 1 31 HIS HE1 1 34 ILE QG . . 4.880 3.885 3.604 4.237 . 0 0 "[ . 1 . 2]" 2
410 1 32 GLU H 1 32 GLU QG . . 3.330 2.316 1.953 2.645 . 0 0 "[ . 1 . 2]" 2
411 1 32 GLU HA 1 32 GLU QG . . 3.310 2.396 2.214 2.626 . 0 0 "[ . 1 . 2]" 2
412 1 32 GLU QG 1 35 HIS HD2 . . 4.630 3.653 3.164 4.301 . 0 0 "[ . 1 . 2]" 2
413 1 33 ARG H 1 33 ARG QG . . 3.340 2.123 1.892 2.415 . 0 0 "[ . 1 . 2]" 2
414 1 33 ARG HA 1 33 ARG QG . . 3.350 2.525 2.285 2.896 . 0 0 "[ . 1 . 2]" 2
415 1 33 ARG QB 1 33 ARG QD . . 3.280 2.279 2.077 2.671 . 0 0 "[ . 1 . 2]" 2
416 1 33 ARG QB 1 34 ILE H . . 4.240 2.410 2.350 2.630 . 0 0 "[ . 1 . 2]" 2
417 1 33 ARG QB 1 34 ILE HA . . 4.200 3.806 3.783 3.868 . 0 0 "[ . 1 . 2]" 2
418 1 34 ILE H 1 34 ILE QG . . 3.350 2.620 2.576 2.651 . 0 0 "[ . 1 . 2]" 2
419 1 34 ILE QG 1 34 ILE MG . . 3.250 2.167 2.048 2.242 . 0 0 "[ . 1 . 2]" 2
420 1 34 ILE QG 1 35 HIS HD2 . . 4.850 3.321 2.977 3.528 . 0 0 "[ . 1 . 2]" 2
421 1 34 ILE QG 1 35 HIS HE1 . . 5.340 3.369 3.100 3.518 . 0 0 "[ . 1 . 2]" 2
422 1 39 VAL H 1 39 VAL QG . . 4.250 2.230 1.857 2.787 . 0 0 "[ . 1 . 2]" 2
423 1 39 VAL QG 1 40 LYS HA . . 4.900 3.832 3.357 4.503 . 0 0 "[ . 1 . 2]" 2
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