NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507424 |
2emk   |
10205 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2emk
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 8
_Distance_constraint_stats_list.Viol_total 0.219
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0014
_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 0.007 0.005 20 0 "[ . 1 . 2]"
1 18 CYS 0.002 0.002 18 0 "[ . 1 . 2]"
1 31 HIS 0.002 0.002 18 0 "[ . 1 . 2]"
1 35 HIS 0.003 0.001 14 0 "[ . 1 . 2]"
2 1 ZN 0.008 0.005 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.363 2.295 2.391 0.001 20 0 "[ . 1 . 2]" 1
2 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.302 2.194 2.386 . 0 0 "[ . 1 . 2]" 1
3 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.039 1.902 2.100 . 0 0 "[ . 1 . 2]" 1
4 1 35 HIS NE2 2 1 ZN ZN . . 2.100 1.983 1.899 2.101 0.001 14 0 "[ . 1 . 2]" 1
5 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.314 3.245 3.484 0.005 20 0 "[ . 1 . 2]" 1
6 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.435 3.293 3.508 . 0 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.864 3.576 3.960 . 0 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.562 3.330 3.720 . 0 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.571 3.322 3.721 0.001 7 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.399 3.318 3.554 0.002 18 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.551 3.327 3.720 . 0 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.304 3.006 3.525 . 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 430
_Distance_constraint_stats_list.Viol_count 88
_Distance_constraint_stats_list.Viol_total 16.249
_Distance_constraint_stats_list.Viol_max 0.062
_Distance_constraint_stats_list.Viol_rms 0.0015
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0092
_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 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.107 0.056 19 0 "[ . 1 . 2]"
1 11 LYS 0.114 0.056 19 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TYR 0.044 0.017 18 0 "[ . 1 . 2]"
1 14 GLU 0.013 0.005 18 0 "[ . 1 . 2]"
1 15 CYS 0.004 0.001 18 0 "[ . 1 . 2]"
1 16 LYS 0.074 0.027 15 0 "[ . 1 . 2]"
1 17 GLU 0.028 0.027 15 0 "[ . 1 . 2]"
1 18 CYS 0.002 0.001 15 0 "[ . 1 . 2]"
1 19 GLY 0.006 0.003 18 0 "[ . 1 . 2]"
1 20 LYS 0.004 0.004 18 0 "[ . 1 . 2]"
1 21 ALA 0.019 0.017 18 0 "[ . 1 . 2]"
1 22 PHE 0.010 0.004 18 0 "[ . 1 . 2]"
1 23 SER 0.006 0.006 18 0 "[ . 1 . 2]"
1 24 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 0.002 0.002 14 0 "[ . 1 . 2]"
1 26 THR 0.005 0.005 11 0 "[ . 1 . 2]"
1 27 HIS 0.066 0.016 18 0 "[ . 1 . 2]"
1 28 LEU 0.016 0.004 18 0 "[ . 1 . 2]"
1 29 ILE 0.007 0.005 11 0 "[ . 1 . 2]"
1 30 GLN 0.242 0.062 18 0 "[ . 1 . 2]"
1 31 HIS 0.147 0.062 18 0 "[ . 1 . 2]"
1 32 GLN 0.077 0.019 12 0 "[ . 1 . 2]"
1 33 ARG 0.072 0.033 14 0 "[ . 1 . 2]"
1 34 VAL 0.086 0.031 17 0 "[ . 1 . 2]"
1 35 HIS 0.250 0.037 17 0 "[ . 1 . 2]"
1 36 THR 0.107 0.037 17 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.009 0.009 20 0 "[ . 1 . 2]"
1 39 LYS 0.009 0.009 20 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 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 28 LEU H 1 29 ILE H . . 3.140 2.579 2.349 2.809 . 0 0 "[ . 1 . 2]" 2
2 1 26 THR HA 1 28 LEU H . . 4.500 4.222 3.775 4.474 . 0 0 "[ . 1 . 2]" 2
3 1 22 PHE HB3 1 28 LEU H . . 4.240 3.770 3.435 4.020 . 0 0 "[ . 1 . 2]" 2
4 1 27 HIS QB 1 28 LEU H . . 3.030 2.704 2.451 3.033 0.003 19 0 "[ . 1 . 2]" 2
5 1 22 PHE HB2 1 28 LEU H . . 3.970 3.220 2.933 3.461 . 0 0 "[ . 1 . 2]" 2
6 1 28 LEU H 1 28 LEU HB3 . . 2.990 2.326 2.254 2.491 . 0 0 "[ . 1 . 2]" 2
7 1 28 LEU H 1 29 ILE HB . . 5.050 4.793 4.555 5.032 . 0 0 "[ . 1 . 2]" 2
8 1 28 LEU H 1 28 LEU HG . . 4.800 4.329 4.236 4.480 . 0 0 "[ . 1 . 2]" 2
9 1 28 LEU H 1 28 LEU HB2 . . 3.160 2.754 2.517 2.931 . 0 0 "[ . 1 . 2]" 2
10 1 28 LEU H 1 28 LEU MD2 . . 4.660 4.193 4.105 4.286 . 0 0 "[ . 1 . 2]" 2
11 1 28 LEU H 1 28 LEU MD1 . . 5.020 4.193 4.071 4.278 . 0 0 "[ . 1 . 2]" 2
12 1 17 GLU HG2 1 18 CYS H . . 4.650 4.188 3.829 4.650 . 15 0 "[ . 1 . 2]" 2
13 1 17 GLU HG3 1 18 CYS H . . 4.650 4.341 3.825 4.633 . 0 0 "[ . 1 . 2]" 2
14 1 15 CYS H 1 18 CYS H . . 5.500 5.319 5.057 5.501 0.001 15 0 "[ . 1 . 2]" 2
15 1 17 GLU H 1 18 CYS H . . 3.040 2.201 1.852 2.933 . 0 0 "[ . 1 . 2]" 2
16 1 18 CYS H 1 19 GLY H . . 2.740 1.985 1.885 2.108 . 0 0 "[ . 1 . 2]" 2
17 1 15 CYS HA 1 18 CYS H . . 4.970 4.782 4.403 4.971 0.001 15 0 "[ . 1 . 2]" 2
18 1 18 CYS H 1 19 GLY HA2 . . 4.270 4.120 4.010 4.269 . 0 0 "[ . 1 . 2]" 2
19 1 15 CYS HB3 1 18 CYS H . . 3.400 3.098 2.774 3.357 . 0 0 "[ . 1 . 2]" 2
20 1 17 GLU QB 1 18 CYS H . . 3.110 2.521 2.137 2.760 . 0 0 "[ . 1 . 2]" 2
21 1 10 GLU HA 1 11 LYS H . . 3.180 2.499 2.138 3.236 0.056 19 0 "[ . 1 . 2]" 2
22 1 11 LYS H 1 12 PRO QD . . 4.450 4.296 3.412 4.378 . 0 0 "[ . 1 . 2]" 2
23 1 11 LYS H 1 11 LYS HB2 . . 4.110 2.459 2.175 2.867 . 0 0 "[ . 1 . 2]" 2
24 1 11 LYS H 1 11 LYS HB3 . . 4.110 3.637 3.482 3.904 . 0 0 "[ . 1 . 2]" 2
25 1 11 LYS H 1 11 LYS HG3 . . 4.610 3.615 2.376 4.464 . 0 0 "[ . 1 . 2]" 2
26 1 11 LYS H 1 11 LYS HG2 . . 4.610 3.693 1.939 4.482 . 0 0 "[ . 1 . 2]" 2
27 1 10 GLU HG2 1 11 LYS H . . 5.500 4.594 3.418 5.536 0.036 19 0 "[ . 1 . 2]" 2
28 1 10 GLU HG3 1 11 LYS H . . 5.500 4.308 2.364 5.477 . 0 0 "[ . 1 . 2]" 2
29 1 15 CYS H 1 19 GLY H . . 4.610 4.196 3.837 4.485 . 0 0 "[ . 1 . 2]" 2
30 1 15 CYS HA 1 19 GLY H . . 5.070 4.794 4.430 5.071 0.001 18 0 "[ . 1 . 2]" 2
31 1 19 GLY H 1 19 GLY HA2 . . 2.840 2.455 2.427 2.533 . 0 0 "[ . 1 . 2]" 2
32 1 15 CYS HB3 1 19 GLY H . . 3.480 2.377 1.914 2.757 . 0 0 "[ . 1 . 2]" 2
33 1 15 CYS HB2 1 19 GLY H . . 4.550 4.117 3.665 4.473 . 0 0 "[ . 1 . 2]" 2
34 1 14 GLU HG2 1 19 GLY H . . 4.720 4.533 4.182 4.720 . 0 0 "[ . 1 . 2]" 2
35 1 17 GLU QB 1 19 GLY H . . 4.450 4.273 3.959 4.448 . 0 0 "[ . 1 . 2]" 2
36 1 9 GLY QA 1 10 GLU H . . 3.480 2.293 2.110 2.714 . 0 0 "[ . 1 . 2]" 2
37 1 10 GLU H 1 10 GLU HG2 . . 5.360 3.460 1.948 4.901 . 0 0 "[ . 1 . 2]" 2
38 1 10 GLU H 1 10 GLU HG3 . . 5.360 3.668 2.910 4.616 . 0 0 "[ . 1 . 2]" 2
39 1 15 CYS HA 1 17 GLU H . . 4.030 3.589 3.187 3.890 . 0 0 "[ . 1 . 2]" 2
40 1 15 CYS HB3 1 17 GLU H . . 4.410 3.562 3.197 4.120 . 0 0 "[ . 1 . 2]" 2
41 1 15 CYS HB2 1 17 GLU H . . 4.800 4.473 4.261 4.758 . 0 0 "[ . 1 . 2]" 2
42 1 17 GLU H 1 17 GLU HG2 . . 3.750 2.632 1.965 3.552 . 0 0 "[ . 1 . 2]" 2
43 1 17 GLU H 1 17 GLU HG3 . . 3.750 3.258 2.092 3.751 0.001 11 0 "[ . 1 . 2]" 2
44 1 16 LYS QG 1 17 GLU H . . 4.660 4.327 2.368 4.687 0.027 15 0 "[ . 1 . 2]" 2
45 1 17 GLU H 1 17 GLU QB . . 2.820 2.686 2.465 2.785 . 0 0 "[ . 1 . 2]" 2
46 1 16 LYS H 1 17 GLU H . . 3.650 2.850 2.517 3.149 . 0 0 "[ . 1 . 2]" 2
47 1 17 GLU H 1 19 GLY H . . 4.040 3.419 3.020 4.040 . 0 0 "[ . 1 . 2]" 2
48 1 28 LEU HB3 1 29 ILE H . . 3.240 2.623 2.375 3.015 . 0 0 "[ . 1 . 2]" 2
49 1 29 ILE H 1 29 ILE HB . . 2.920 2.580 2.419 2.703 . 0 0 "[ . 1 . 2]" 2
50 1 29 ILE H 1 29 ILE HG12 . . 3.500 3.212 1.896 3.502 0.002 10 0 "[ . 1 . 2]" 2
51 1 29 ILE H 1 29 ILE HG13 . . 3.500 2.268 1.938 3.486 . 0 0 "[ . 1 . 2]" 2
52 1 29 ILE H 1 29 ILE MG . . 3.840 3.765 3.743 3.774 . 0 0 "[ . 1 . 2]" 2
53 1 17 GLU H 1 28 LEU MD1 . . 5.500 5.097 4.595 5.445 . 0 0 "[ . 1 . 2]" 2
54 1 27 HIS H 1 29 ILE H . . 4.490 4.229 3.929 4.487 . 0 0 "[ . 1 . 2]" 2
55 1 26 THR H 1 27 HIS H . . 4.870 2.777 2.632 3.023 . 0 0 "[ . 1 . 2]" 2
56 1 27 HIS H 1 30 GLN H . . 5.190 4.912 4.720 5.203 0.013 11 0 "[ . 1 . 2]" 2
57 1 26 THR HB 1 27 HIS H . . 4.250 3.903 3.096 4.181 . 0 0 "[ . 1 . 2]" 2
58 1 22 PHE HB3 1 27 HIS H . . 4.730 4.376 4.088 4.665 . 0 0 "[ . 1 . 2]" 2
59 1 27 HIS H 1 27 HIS QB . . 3.070 2.217 2.135 2.469 . 0 0 "[ . 1 . 2]" 2
60 1 24 GLN HB3 1 27 HIS H . . 3.630 3.049 2.489 3.498 . 0 0 "[ . 1 . 2]" 2
61 1 24 GLN HB2 1 27 HIS H . . 3.450 3.128 2.798 3.344 . 0 0 "[ . 1 . 2]" 2
62 1 15 CYS HA 1 32 GLN HE21 . . 4.740 3.299 2.883 3.954 . 0 0 "[ . 1 . 2]" 2
63 1 28 LEU HG 1 32 GLN HE21 . . 4.830 3.084 1.899 3.875 . 0 0 "[ . 1 . 2]" 2
64 1 28 LEU MD1 1 32 GLN HE21 . . 4.160 2.525 2.153 3.012 . 0 0 "[ . 1 . 2]" 2
65 1 15 CYS HA 1 32 GLN HE22 . . 4.740 4.113 2.634 4.741 0.001 11 0 "[ . 1 . 2]" 2
66 1 28 LEU MD1 1 32 GLN HE22 . . 4.160 3.755 3.282 4.159 . 0 0 "[ . 1 . 2]" 2
67 1 28 LEU HG 1 32 GLN HE22 . . 4.830 4.189 2.691 4.831 0.001 10 0 "[ . 1 . 2]" 2
68 1 24 GLN HE21 1 26 THR MG . . 4.940 4.111 3.028 4.903 . 0 0 "[ . 1 . 2]" 2
69 1 24 GLN HE22 1 26 THR MG . . 4.940 4.133 3.719 4.655 . 0 0 "[ . 1 . 2]" 2
70 1 36 THR H 1 36 THR HB . . 4.140 3.215 2.556 3.860 . 0 0 "[ . 1 . 2]" 2
71 1 33 ARG HA 1 36 THR H . . 4.500 3.271 2.831 4.122 . 0 0 "[ . 1 . 2]" 2
72 1 35 HIS HB3 1 36 THR H . . 4.470 4.049 3.724 4.470 . 0 0 "[ . 1 . 2]" 2
73 1 35 HIS HB2 1 36 THR H . . 4.180 3.247 2.791 4.004 . 0 0 "[ . 1 . 2]" 2
74 1 33 ARG HB3 1 36 THR H . . 5.320 4.923 4.694 5.144 . 0 0 "[ . 1 . 2]" 2
75 1 36 THR H 1 36 THR MG . . 3.850 2.240 1.897 2.863 . 0 0 "[ . 1 . 2]" 2
76 1 34 VAL HA 1 36 THR H . . 5.110 4.116 3.431 4.680 . 0 0 "[ . 1 . 2]" 2
77 1 14 GLU H 1 15 CYS H . . 4.510 4.330 4.161 4.436 . 0 0 "[ . 1 . 2]" 2
78 1 15 CYS H 1 22 PHE QD . . 4.480 4.092 3.746 4.444 . 0 0 "[ . 1 . 2]" 2
79 1 15 CYS H 1 22 PHE QE . . 4.200 3.610 2.979 4.072 . 0 0 "[ . 1 . 2]" 2
80 1 15 CYS H 1 21 ALA HA . . 3.910 3.566 3.330 3.732 . 0 0 "[ . 1 . 2]" 2
81 1 15 CYS H 1 19 GLY HA2 . . 4.940 4.041 3.638 4.641 . 0 0 "[ . 1 . 2]" 2
82 1 15 CYS H 1 15 CYS HB3 . . 3.100 2.578 2.422 2.755 . 0 0 "[ . 1 . 2]" 2
83 1 15 CYS H 1 15 CYS HB2 . . 3.210 2.579 2.357 2.759 . 0 0 "[ . 1 . 2]" 2
84 1 14 GLU HG3 1 15 CYS H . . 4.150 3.234 2.800 3.748 . 0 0 "[ . 1 . 2]" 2
85 1 14 GLU QB 1 15 CYS H . . 3.690 3.451 3.175 3.680 . 0 0 "[ . 1 . 2]" 2
86 1 15 CYS H 1 28 LEU MD1 . . 3.970 2.850 2.487 3.341 . 0 0 "[ . 1 . 2]" 2
87 1 31 HIS H 1 32 GLN H . . 3.240 2.704 2.404 2.904 . 0 0 "[ . 1 . 2]" 2
88 1 31 HIS H 1 31 HIS HD2 . . 5.020 4.706 4.447 4.964 . 0 0 "[ . 1 . 2]" 2
89 1 27 HIS HA 1 31 HIS H . . 4.460 4.339 4.008 4.463 0.003 14 0 "[ . 1 . 2]" 2
90 1 29 ILE HA 1 31 HIS H . . 4.670 4.484 3.975 4.670 . 0 0 "[ . 1 . 2]" 2
91 1 31 HIS H 1 31 HIS HB2 . . 3.020 2.844 2.682 3.023 0.003 14 0 "[ . 1 . 2]" 2
92 1 31 HIS H 1 31 HIS HB3 . . 3.020 2.267 2.213 2.394 . 0 0 "[ . 1 . 2]" 2
93 1 30 GLN QB 1 31 HIS H . . 3.210 2.872 2.503 3.272 0.062 18 0 "[ . 1 . 2]" 2
94 1 28 LEU MD1 1 31 HIS H . . 4.570 4.443 4.239 4.573 0.003 10 0 "[ . 1 . 2]" 2
95 1 29 ILE HB 1 31 HIS H . . 5.470 5.020 4.733 5.323 . 0 0 "[ . 1 . 2]" 2
96 1 31 HIS H 1 33 ARG HB2 . . 5.500 5.302 5.188 5.470 . 0 0 "[ . 1 . 2]" 2
97 1 13 TYR H 1 22 PHE H . . 4.340 4.262 3.994 4.342 0.002 11 0 "[ . 1 . 2]" 2
98 1 13 TYR H 1 13 TYR QD . . 3.360 3.253 3.064 3.365 0.005 18 0 "[ . 1 . 2]" 2
99 1 13 TYR H 1 13 TYR QE . . 5.060 4.747 4.575 5.037 . 0 0 "[ . 1 . 2]" 2
100 1 13 TYR H 1 21 ALA HA . . 5.060 4.946 4.768 5.077 0.017 18 0 "[ . 1 . 2]" 2
101 1 11 LYS HA 1 13 TYR H . . 4.320 3.776 3.193 3.896 . 0 0 "[ . 1 . 2]" 2
102 1 12 PRO HA 1 13 TYR H . . 3.540 3.330 3.292 3.411 . 0 0 "[ . 1 . 2]" 2
103 1 12 PRO QD 1 13 TYR H . . 3.380 2.885 2.735 2.957 . 0 0 "[ . 1 . 2]" 2
104 1 13 TYR H 1 13 TYR HB3 . . 3.970 3.822 3.746 3.914 . 0 0 "[ . 1 . 2]" 2
105 1 13 TYR H 1 13 TYR HB2 . . 3.080 2.818 2.726 2.925 . 0 0 "[ . 1 . 2]" 2
106 1 12 PRO HB2 1 13 TYR H . . 4.630 3.905 3.737 3.972 . 0 0 "[ . 1 . 2]" 2
107 1 13 TYR H 1 21 ALA MB . . 4.250 4.107 3.897 4.252 0.002 19 0 "[ . 1 . 2]" 2
108 1 12 PRO HB3 1 13 TYR H . . 4.630 4.470 4.375 4.508 . 0 0 "[ . 1 . 2]" 2
109 1 36 THR H 1 37 GLY H . . 4.340 2.950 2.052 3.994 . 0 0 "[ . 1 . 2]" 2
110 1 27 HIS HA 1 30 GLN H . . 4.040 3.752 3.501 4.034 . 0 0 "[ . 1 . 2]" 2
111 1 28 LEU HA 1 30 GLN H . . 4.580 4.437 4.201 4.571 . 0 0 "[ . 1 . 2]" 2
112 1 30 GLN H 1 30 GLN HG3 . . 4.180 3.220 1.995 3.888 . 0 0 "[ . 1 . 2]" 2
113 1 30 GLN H 1 30 GLN QB . . 2.840 2.347 2.172 2.615 . 0 0 "[ . 1 . 2]" 2
114 1 29 ILE HB 1 30 GLN H . . 3.230 2.564 2.411 2.726 . 0 0 "[ . 1 . 2]" 2
115 1 26 THR MG 1 30 GLN H . . 5.500 5.277 5.018 5.498 . 0 0 "[ . 1 . 2]" 2
116 1 29 ILE MG 1 30 GLN H . . 3.710 3.419 3.083 3.633 . 0 0 "[ . 1 . 2]" 2
117 1 32 GLN H 1 33 ARG H . . 3.300 2.796 2.636 2.923 . 0 0 "[ . 1 . 2]" 2
118 1 33 ARG H 1 34 VAL H . . 3.340 2.761 2.545 2.972 . 0 0 "[ . 1 . 2]" 2
119 1 30 GLN HA 1 33 ARG H . . 4.170 3.832 3.506 3.981 . 0 0 "[ . 1 . 2]" 2
120 1 32 GLN QG 1 33 ARG H . . 4.430 4.272 4.048 4.443 0.013 18 0 "[ . 1 . 2]" 2
121 1 32 GLN HB2 1 33 ARG H . . 3.940 3.062 2.841 3.321 . 0 0 "[ . 1 . 2]" 2
122 1 33 ARG H 1 33 ARG HB2 . . 3.130 2.417 2.281 2.610 . 0 0 "[ . 1 . 2]" 2
123 1 33 ARG H 1 34 VAL MG1 . . 4.900 4.083 3.749 4.491 . 0 0 "[ . 1 . 2]" 2
124 1 33 ARG H 1 34 VAL MG2 . . 4.900 4.109 3.894 4.313 . 0 0 "[ . 1 . 2]" 2
125 1 31 HIS H 1 33 ARG H . . 4.470 4.125 3.961 4.242 . 0 0 "[ . 1 . 2]" 2
126 1 15 CYS HA 1 16 LYS H . . 3.340 2.169 2.138 2.349 . 0 0 "[ . 1 . 2]" 2
127 1 16 LYS H 1 16 LYS QB . . 3.590 2.307 2.142 2.638 . 0 0 "[ . 1 . 2]" 2
128 1 16 LYS H 1 16 LYS QG . . 4.290 3.181 1.910 4.017 . 0 0 "[ . 1 . 2]" 2
129 1 16 LYS H 1 28 LEU MD1 . . 5.030 4.039 3.665 4.579 . 0 0 "[ . 1 . 2]" 2
130 1 32 GLN H 1 35 HIS H . . 5.500 5.438 5.193 5.519 0.019 12 0 "[ . 1 . 2]" 2
131 1 35 HIS H 1 37 GLY H . . 5.500 4.635 3.622 5.495 . 0 0 "[ . 1 . 2]" 2
132 1 35 HIS H 1 36 THR H . . 3.350 2.280 1.868 2.783 . 0 0 "[ . 1 . 2]" 2
133 1 35 HIS H 1 36 THR HA . . 5.500 4.857 4.611 5.099 . 0 0 "[ . 1 . 2]" 2
134 1 35 HIS H 1 36 THR HB . . 5.500 5.064 4.276 5.537 0.037 17 0 "[ . 1 . 2]" 2
135 1 33 ARG HA 1 35 HIS H . . 4.400 3.740 3.506 4.163 . 0 0 "[ . 1 . 2]" 2
136 1 32 GLN HA 1 35 HIS H . . 3.940 3.456 3.219 3.614 . 0 0 "[ . 1 . 2]" 2
137 1 35 HIS H 1 35 HIS HB3 . . 3.830 3.660 3.564 3.786 . 0 0 "[ . 1 . 2]" 2
138 1 35 HIS H 1 35 HIS HB2 . . 3.230 2.488 2.299 2.751 . 0 0 "[ . 1 . 2]" 2
139 1 34 VAL HB 1 35 HIS H . . 4.180 4.094 3.834 4.211 0.031 17 0 "[ . 1 . 2]" 2
140 1 35 HIS H 1 36 THR MG . . 4.690 3.589 2.737 4.226 . 0 0 "[ . 1 . 2]" 2
141 1 34 VAL MG1 1 35 HIS H . . 4.110 3.953 3.760 4.126 0.016 17 0 "[ . 1 . 2]" 2
142 1 34 VAL MG2 1 35 HIS H . . 4.110 2.244 1.966 2.576 . 0 0 "[ . 1 . 2]" 2
143 1 35 HIS H 1 35 HIS HD2 . . 4.120 3.604 3.037 4.107 . 0 0 "[ . 1 . 2]" 2
144 1 14 GLU H 1 21 ALA MB . . 5.500 4.964 4.703 5.210 . 0 0 "[ . 1 . 2]" 2
145 1 14 GLU H 1 28 LEU HB2 . . 5.500 5.091 4.638 5.467 . 0 0 "[ . 1 . 2]" 2
146 1 13 TYR H 1 14 GLU H . . 4.280 4.223 4.027 4.279 . 0 0 "[ . 1 . 2]" 2
147 1 13 TYR QD 1 14 GLU H . . 4.440 4.361 4.117 4.445 0.005 18 0 "[ . 1 . 2]" 2
148 1 14 GLU H 1 21 ALA HA . . 4.920 4.536 4.463 4.708 . 0 0 "[ . 1 . 2]" 2
149 1 13 TYR HA 1 14 GLU H . . 2.980 2.147 2.139 2.164 . 0 0 "[ . 1 . 2]" 2
150 1 13 TYR HB3 1 14 GLU H . . 3.960 3.518 3.199 3.737 . 0 0 "[ . 1 . 2]" 2
151 1 13 TYR HB2 1 14 GLU H . . 4.250 4.172 4.027 4.255 0.005 18 0 "[ . 1 . 2]" 2
152 1 40 PRO QG 1 41 SER H . . 5.500 3.636 1.920 4.746 . 0 0 "[ . 1 . 2]" 2
153 1 14 GLU H 1 14 GLU QB . . 3.070 2.721 2.639 2.826 . 0 0 "[ . 1 . 2]" 2
154 1 14 GLU H 1 28 LEU MD2 . . 4.020 2.667 2.290 3.104 . 0 0 "[ . 1 . 2]" 2
155 1 21 ALA HA 1 22 PHE H . . 2.780 2.203 2.169 2.267 . 0 0 "[ . 1 . 2]" 2
156 1 22 PHE H 1 22 PHE HB3 . . 4.000 3.806 3.745 3.902 . 0 0 "[ . 1 . 2]" 2
157 1 22 PHE H 1 27 HIS QB . . 5.500 5.182 4.918 5.499 . 0 0 "[ . 1 . 2]" 2
158 1 22 PHE H 1 28 LEU HA . . 5.500 5.406 5.210 5.501 0.001 11 0 "[ . 1 . 2]" 2
159 1 13 TYR HB3 1 22 PHE H . . 4.400 4.102 3.903 4.400 0.000 11 0 "[ . 1 . 2]" 2
160 1 13 TYR HB2 1 22 PHE H . . 3.540 2.923 2.678 3.145 . 0 0 "[ . 1 . 2]" 2
161 1 22 PHE H 1 22 PHE HB2 . . 3.700 2.702 2.581 2.899 . 0 0 "[ . 1 . 2]" 2
162 1 14 GLU HG3 1 22 PHE H . . 5.040 4.791 4.390 5.035 . 0 0 "[ . 1 . 2]" 2
163 1 11 LYS HB2 1 22 PHE H . . 4.450 3.823 3.378 4.443 . 0 0 "[ . 1 . 2]" 2
164 1 22 PHE H 1 28 LEU MD1 . . 4.880 4.276 3.984 4.779 . 0 0 "[ . 1 . 2]" 2
165 1 22 PHE H 1 22 PHE QD . . 3.140 2.645 2.139 2.950 . 0 0 "[ . 1 . 2]" 2
166 1 13 TYR QD 1 22 PHE H . . 5.140 4.427 4.135 4.756 . 0 0 "[ . 1 . 2]" 2
167 1 22 PHE H 1 22 PHE QE . . 5.500 4.704 4.370 4.941 . 0 0 "[ . 1 . 2]" 2
168 1 11 LYS HB3 1 22 PHE H . . 4.450 4.023 3.021 4.438 . 0 0 "[ . 1 . 2]" 2
169 1 21 ALA MB 1 22 PHE H . . 3.210 2.917 2.698 3.072 . 0 0 "[ . 1 . 2]" 2
170 1 15 CYS H 1 22 PHE H . . 5.500 5.126 4.808 5.382 . 0 0 "[ . 1 . 2]" 2
171 1 14 GLU QB 1 22 PHE H . . 4.930 4.754 4.372 4.930 . 0 0 "[ . 1 . 2]" 2
172 1 38 GLU HA 1 39 LYS H . . 3.200 2.441 2.145 3.193 . 0 0 "[ . 1 . 2]" 2
173 1 38 GLU HG2 1 39 LYS H . . 5.500 4.304 3.567 4.928 . 0 0 "[ . 1 . 2]" 2
174 1 38 GLU HG3 1 39 LYS H . . 5.500 4.121 1.950 5.500 . 0 0 "[ . 1 . 2]" 2
175 1 39 LYS H 1 39 LYS QG . . 4.210 3.131 2.100 4.093 . 0 0 "[ . 1 . 2]" 2
176 1 21 ALA H 1 22 PHE H . . 4.880 4.523 4.400 4.570 . 0 0 "[ . 1 . 2]" 2
177 1 20 LYS HA 1 21 ALA H . . 2.610 2.159 2.141 2.366 . 0 0 "[ . 1 . 2]" 2
178 1 21 ALA H 1 21 ALA MB . . 2.820 2.292 2.167 2.573 . 0 0 "[ . 1 . 2]" 2
179 1 34 VAL H 1 35 HIS HB2 . . 5.500 4.883 4.494 5.343 . 0 0 "[ . 1 . 2]" 2
180 1 34 VAL H 1 35 HIS H . . 3.180 2.658 2.428 2.835 . 0 0 "[ . 1 . 2]" 2
181 1 32 GLN HA 1 34 VAL H . . 4.260 3.985 3.682 4.257 . 0 0 "[ . 1 . 2]" 2
182 1 33 ARG HB3 1 34 VAL H . . 3.880 3.585 3.275 3.881 0.001 17 0 "[ . 1 . 2]" 2
183 1 34 VAL H 1 34 VAL MG1 . . 3.300 2.046 1.867 2.415 . 0 0 "[ . 1 . 2]" 2
184 1 34 VAL H 1 34 VAL MG2 . . 3.300 2.323 2.130 2.507 . 0 0 "[ . 1 . 2]" 2
185 1 23 SER H 1 24 GLN H . . 4.070 2.745 2.436 2.991 . 0 0 "[ . 1 . 2]" 2
186 1 22 PHE HB3 1 24 GLN H . . 3.320 2.943 2.522 3.161 . 0 0 "[ . 1 . 2]" 2
187 1 24 GLN H 1 27 HIS QB . . 3.410 2.944 2.605 3.249 . 0 0 "[ . 1 . 2]" 2
188 1 22 PHE HB2 1 24 GLN H . . 4.040 3.703 2.889 4.013 . 0 0 "[ . 1 . 2]" 2
189 1 24 GLN H 1 24 GLN HB3 . . 3.850 3.642 3.535 3.780 . 0 0 "[ . 1 . 2]" 2
190 1 24 GLN H 1 24 GLN HB2 . . 3.420 2.453 2.284 2.824 . 0 0 "[ . 1 . 2]" 2
191 1 22 PHE H 1 24 GLN H . . 5.500 5.276 4.571 5.487 . 0 0 "[ . 1 . 2]" 2
192 1 31 HIS HD2 1 32 GLN H . . 4.100 3.353 2.798 3.903 . 0 0 "[ . 1 . 2]" 2
193 1 30 GLN HA 1 32 GLN H . . 4.810 4.377 3.941 4.659 . 0 0 "[ . 1 . 2]" 2
194 1 32 GLN H 1 32 GLN QG . . 3.050 2.298 2.036 2.590 . 0 0 "[ . 1 . 2]" 2
195 1 32 GLN H 1 32 GLN HB2 . . 3.120 2.480 2.292 2.709 . 0 0 "[ . 1 . 2]" 2
196 1 30 GLN QB 1 32 GLN H . . 5.320 4.855 4.536 5.190 . 0 0 "[ . 1 . 2]" 2
197 1 32 GLN H 1 33 ARG HB2 . . 5.500 4.951 4.769 5.120 . 0 0 "[ . 1 . 2]" 2
198 1 28 LEU HG 1 32 GLN H . . 4.970 4.620 4.038 4.972 0.002 17 0 "[ . 1 . 2]" 2
199 1 28 LEU MD1 1 32 GLN H . . 4.400 3.815 3.265 4.251 . 0 0 "[ . 1 . 2]" 2
200 1 15 CYS H 1 20 LYS H . . 4.330 2.352 1.996 3.319 . 0 0 "[ . 1 . 2]" 2
201 1 15 CYS HB3 1 20 LYS H . . 3.330 2.094 1.900 2.412 . 0 0 "[ . 1 . 2]" 2
202 1 15 CYS HB2 1 20 LYS H . . 3.820 3.288 2.568 3.767 . 0 0 "[ . 1 . 2]" 2
203 1 20 LYS H 1 20 LYS HB2 . . 3.510 2.969 2.372 3.258 . 0 0 "[ . 1 . 2]" 2
204 1 20 LYS H 1 20 LYS HB3 . . 3.510 2.916 2.748 3.036 . 0 0 "[ . 1 . 2]" 2
205 1 27 HIS H 1 28 LEU H . . 3.160 2.665 2.511 2.956 . 0 0 "[ . 1 . 2]" 2
206 1 28 LEU H 1 30 GLN H . . 4.420 4.132 3.750 4.410 . 0 0 "[ . 1 . 2]" 2
207 1 29 ILE H 1 30 GLN H . . 3.290 2.737 2.510 2.999 . 0 0 "[ . 1 . 2]" 2
208 1 27 HIS HA 1 27 HIS HD2 . . 3.900 2.829 2.159 3.900 . 0 0 "[ . 1 . 2]" 2
209 1 18 CYS HB2 1 35 HIS HE1 . . 3.860 3.705 3.292 3.860 . 0 0 "[ . 1 . 2]" 2
210 1 31 HIS HE1 1 34 VAL MG1 . . 4.240 3.961 3.194 4.236 . 0 0 "[ . 1 . 2]" 2
211 1 31 HIS HE1 1 34 VAL MG2 . . 4.240 2.755 2.313 3.145 . 0 0 "[ . 1 . 2]" 2
212 1 13 TYR HA 1 13 TYR QD . . 3.940 2.566 2.392 2.811 . 0 0 "[ . 1 . 2]" 2
213 1 12 PRO QD 1 13 TYR QD . . 4.040 3.517 3.212 3.821 . 0 0 "[ . 1 . 2]" 2
214 1 13 TYR QD 1 25 THR HA . . 4.660 3.511 2.824 4.165 . 0 0 "[ . 1 . 2]" 2
215 1 13 TYR QD 1 28 LEU MD2 . . 4.190 3.476 3.181 3.843 . 0 0 "[ . 1 . 2]" 2
216 1 13 TYR QD 1 25 THR MG . . 4.480 3.536 2.587 4.482 0.002 14 0 "[ . 1 . 2]" 2
217 1 21 ALA HA 1 22 PHE QD . . 4.240 3.220 2.722 3.763 . 0 0 "[ . 1 . 2]" 2
218 1 22 PHE QD 1 27 HIS QB . . 3.530 2.375 1.989 3.128 . 0 0 "[ . 1 . 2]" 2
219 1 22 PHE QD 1 28 LEU HA . . 3.990 2.948 2.490 3.412 . 0 0 "[ . 1 . 2]" 2
220 1 22 PHE QD 1 28 LEU HB3 . . 4.640 4.029 3.716 4.446 . 0 0 "[ . 1 . 2]" 2
221 1 22 PHE QD 1 28 LEU HB2 . . 3.910 2.338 2.019 2.778 . 0 0 "[ . 1 . 2]" 2
222 1 22 PHE QD 1 28 LEU MD1 . . 3.580 2.383 1.969 3.069 . 0 0 "[ . 1 . 2]" 2
223 1 15 CYS HB3 1 22 PHE QE . . 4.630 3.852 3.305 4.277 . 0 0 "[ . 1 . 2]" 2
224 1 22 PHE QE 1 28 LEU HA . . 4.490 3.154 2.593 3.457 . 0 0 "[ . 1 . 2]" 2
225 1 15 CYS HB2 1 22 PHE QE . . 3.960 2.702 2.286 3.274 . 0 0 "[ . 1 . 2]" 2
226 1 20 LYS HB3 1 22 PHE QE . . 4.500 2.304 2.012 2.748 . 0 0 "[ . 1 . 2]" 2
227 1 22 PHE QE 1 28 LEU MD1 . . 4.020 2.327 1.958 3.023 . 0 0 "[ . 1 . 2]" 2
228 1 22 PHE HZ 1 31 HIS HB3 . . 4.620 3.199 2.627 4.049 . 0 0 "[ . 1 . 2]" 2
229 1 20 LYS HB2 1 22 PHE HZ . . 4.750 4.092 3.584 4.608 . 0 0 "[ . 1 . 2]" 2
230 1 20 LYS HB3 1 22 PHE HZ . . 4.750 2.968 2.551 3.537 . 0 0 "[ . 1 . 2]" 2
231 1 22 PHE HZ 1 31 HIS HB2 . . 4.620 2.734 2.041 3.119 . 0 0 "[ . 1 . 2]" 2
232 1 35 HIS HB2 1 35 HIS HD2 . . 3.830 2.706 2.689 2.756 . 0 0 "[ . 1 . 2]" 2
233 1 32 GLN QG 1 35 HIS HD2 . . 4.340 3.747 3.034 4.313 . 0 0 "[ . 1 . 2]" 2
234 1 17 GLU QB 1 35 HIS HD2 . . 4.260 3.090 2.527 3.637 . 0 0 "[ . 1 . 2]" 2
235 1 15 CYS HB3 1 31 HIS HD2 . . 4.230 3.935 3.420 4.229 . 0 0 "[ . 1 . 2]" 2
236 1 15 CYS HB2 1 31 HIS HD2 . . 3.390 2.753 1.999 3.348 . 0 0 "[ . 1 . 2]" 2
237 1 12 PRO QD 1 13 TYR QE . . 4.500 3.941 3.453 4.301 . 0 0 "[ . 1 . 2]" 2
238 1 13 TYR QE 1 25 THR MG . . 4.080 3.118 2.230 4.065 . 0 0 "[ . 1 . 2]" 2
239 1 28 LEU MD1 1 31 HIS HD2 . . 3.600 2.754 2.041 3.472 . 0 0 "[ . 1 . 2]" 2
240 1 15 CYS HA 1 28 LEU MD1 . . 3.730 2.270 1.978 2.773 . 0 0 "[ . 1 . 2]" 2
241 1 28 LEU HA 1 28 LEU MD1 . . 3.390 2.150 1.968 2.370 . 0 0 "[ . 1 . 2]" 2
242 1 15 CYS HB2 1 28 LEU MD1 . . 3.470 2.240 1.958 2.582 . 0 0 "[ . 1 . 2]" 2
243 1 14 GLU HG2 1 19 GLY HA2 . . 4.730 3.006 2.823 3.256 . 0 0 "[ . 1 . 2]" 2
244 1 14 GLU QB 1 19 GLY HA2 . . 4.900 4.736 4.511 4.895 . 0 0 "[ . 1 . 2]" 2
245 1 20 LYS HA 1 21 ALA MB . . 4.260 3.941 3.835 4.006 . 0 0 "[ . 1 . 2]" 2
246 1 14 GLU HG2 1 21 ALA MB . . 4.040 3.836 3.525 4.013 . 0 0 "[ . 1 . 2]" 2
247 1 24 GLN HB3 1 26 THR MG . . 4.420 2.615 1.921 4.059 . 0 0 "[ . 1 . 2]" 2
248 1 33 ARG HA 1 36 THR MG . . 4.420 2.420 1.827 4.033 . 0 0 "[ . 1 . 2]" 2
249 1 42 GLY HA3 1 43 PRO QD . . 3.720 2.659 1.957 3.465 . 0 0 "[ . 1 . 2]" 2
250 1 24 GLN HB3 1 26 THR HB . . 4.980 4.660 4.200 4.978 . 0 0 "[ . 1 . 2]" 2
251 1 26 THR HB 1 29 ILE HB . . 5.100 4.929 4.265 5.094 . 0 0 "[ . 1 . 2]" 2
252 1 22 PHE HB3 1 27 HIS HD2 . . 5.500 5.061 4.473 5.502 0.002 18 0 "[ . 1 . 2]" 2
253 1 22 PHE HB3 1 27 HIS QB . . 3.600 2.000 1.817 2.169 . 0 0 "[ . 1 . 2]" 2
254 1 22 PHE HB3 1 28 LEU HB2 . . 4.560 4.106 3.472 4.548 . 0 0 "[ . 1 . 2]" 2
255 1 22 PHE HB3 1 24 GLN HB2 . . 4.940 4.388 3.813 4.727 . 0 0 "[ . 1 . 2]" 2
256 1 13 TYR QD 1 22 PHE HB2 . . 4.980 4.434 4.007 4.799 . 0 0 "[ . 1 . 2]" 2
257 1 22 PHE HB2 1 27 HIS QB . . 3.910 2.889 2.583 3.437 . 0 0 "[ . 1 . 2]" 2
258 1 13 TYR HB3 1 22 PHE HB2 . . 4.650 4.070 3.658 4.535 . 0 0 "[ . 1 . 2]" 2
259 1 22 PHE HB2 1 28 LEU HB3 . . 4.790 3.811 3.461 4.439 . 0 0 "[ . 1 . 2]" 2
260 1 22 PHE HB2 1 28 LEU HB2 . . 4.150 2.591 2.066 2.985 . 0 0 "[ . 1 . 2]" 2
261 1 22 PHE HB2 1 28 LEU MD1 . . 4.740 4.074 3.602 4.566 . 0 0 "[ . 1 . 2]" 2
262 1 34 VAL HA 1 34 VAL MG1 . . 3.690 2.433 2.283 2.515 . 0 0 "[ . 1 . 2]" 2
263 1 34 VAL HA 1 34 VAL MG2 . . 3.690 3.186 3.173 3.198 . 0 0 "[ . 1 . 2]" 2
264 1 25 THR HA 1 29 ILE H . . 4.700 4.434 3.957 4.698 . 0 0 "[ . 1 . 2]" 2
265 1 25 THR HA 1 28 LEU H . . 4.220 3.424 3.258 3.588 . 0 0 "[ . 1 . 2]" 2
266 1 25 THR HA 1 28 LEU HB3 . . 3.590 3.024 2.667 3.367 . 0 0 "[ . 1 . 2]" 2
267 1 25 THR HA 1 28 LEU HB2 . . 4.060 3.910 3.737 4.053 . 0 0 "[ . 1 . 2]" 2
268 1 25 THR HA 1 28 LEU MD2 . . 4.240 3.662 3.232 3.968 . 0 0 "[ . 1 . 2]" 2
269 1 25 THR HA 1 25 THR MG . . 3.670 2.627 2.191 3.207 . 0 0 "[ . 1 . 2]" 2
270 1 26 THR HA 1 30 GLN H . . 4.780 4.115 3.786 4.641 . 0 0 "[ . 1 . 2]" 2
271 1 26 THR HA 1 29 ILE H . . 4.220 3.427 3.094 3.699 . 0 0 "[ . 1 . 2]" 2
272 1 26 THR HA 1 29 ILE HB . . 3.450 2.859 2.664 3.071 . 0 0 "[ . 1 . 2]" 2
273 1 26 THR HA 1 26 THR MG . . 3.430 2.939 2.144 3.206 . 0 0 "[ . 1 . 2]" 2
274 1 29 ILE HA 1 32 GLN QG . . 4.050 2.717 2.102 3.513 . 0 0 "[ . 1 . 2]" 2
275 1 29 ILE HA 1 32 GLN HB2 . . 3.930 3.153 2.440 3.893 . 0 0 "[ . 1 . 2]" 2
276 1 28 LEU HB3 1 29 ILE HA . . 4.910 4.426 4.238 4.592 . 0 0 "[ . 1 . 2]" 2
277 1 28 LEU HG 1 29 ILE HA . . 4.090 3.415 3.158 3.688 . 0 0 "[ . 1 . 2]" 2
278 1 29 ILE HA 1 29 ILE HG13 . . 3.850 3.022 2.786 3.810 . 0 0 "[ . 1 . 2]" 2
279 1 29 ILE HA 1 29 ILE MG . . 3.370 2.399 2.280 2.459 . 0 0 "[ . 1 . 2]" 2
280 1 28 LEU HB3 1 28 LEU MD2 . . 3.550 2.284 2.088 2.491 . 0 0 "[ . 1 . 2]" 2
281 1 28 LEU HB2 1 29 ILE H . . 4.400 3.957 3.789 4.193 . 0 0 "[ . 1 . 2]" 2
282 1 28 LEU HB2 1 28 LEU MD2 . . 3.610 2.376 2.174 2.574 . 0 0 "[ . 1 . 2]" 2
283 1 36 THR HA 1 36 THR MG . . 3.470 2.908 2.197 3.206 . 0 0 "[ . 1 . 2]" 2
284 1 13 TYR HB3 1 28 LEU HB3 . . 4.670 3.421 3.063 3.866 . 0 0 "[ . 1 . 2]" 2
285 1 13 TYR HB3 1 28 LEU HB2 . . 4.380 3.214 2.837 3.534 . 0 0 "[ . 1 . 2]" 2
286 1 13 TYR HB3 1 28 LEU MD2 . . 3.530 2.125 1.852 2.626 . 0 0 "[ . 1 . 2]" 2
287 1 13 TYR HB2 1 22 PHE QD . . 5.000 4.212 3.914 4.603 . 0 0 "[ . 1 . 2]" 2
288 1 13 TYR HB2 1 22 PHE HB3 . . 5.140 4.899 4.556 5.118 . 0 0 "[ . 1 . 2]" 2
289 1 13 TYR HB2 1 28 LEU HB3 . . 4.930 4.467 4.004 4.918 . 0 0 "[ . 1 . 2]" 2
290 1 13 TYR HB2 1 28 LEU HB2 . . 4.490 3.756 3.387 3.951 . 0 0 "[ . 1 . 2]" 2
291 1 14 GLU HG3 1 21 ALA MB . . 4.610 2.341 2.002 2.587 . 0 0 "[ . 1 . 2]" 2
292 1 14 GLU H 1 14 GLU HG3 . . 5.030 4.743 4.611 4.956 . 0 0 "[ . 1 . 2]" 2
293 1 14 GLU HG3 1 19 GLY HA2 . . 5.150 4.328 3.992 4.577 . 0 0 "[ . 1 . 2]" 2
294 1 14 GLU H 1 14 GLU HG2 . . 5.150 4.689 4.534 4.880 . 0 0 "[ . 1 . 2]" 2
295 1 14 GLU HG2 1 15 CYS H . . 5.150 2.402 1.906 2.840 . 0 0 "[ . 1 . 2]" 2
296 1 29 ILE H 1 29 ILE MD . . 4.250 3.339 2.768 3.907 . 0 0 "[ . 1 . 2]" 2
297 1 26 THR HA 1 29 ILE MD . . 3.720 2.611 2.003 3.725 0.005 11 0 "[ . 1 . 2]" 2
298 1 29 ILE HB 1 29 ILE MD . . 3.560 2.464 2.143 3.223 . 0 0 "[ . 1 . 2]" 2
299 1 31 HIS HD2 1 32 GLN HA . . 4.030 3.188 2.671 3.942 . 0 0 "[ . 1 . 2]" 2
300 1 32 GLN HA 1 35 HIS HD2 . . 3.510 2.278 2.019 2.576 . 0 0 "[ . 1 . 2]" 2
301 1 32 GLN HA 1 35 HIS HB2 . . 4.630 3.272 2.736 3.672 . 0 0 "[ . 1 . 2]" 2
302 1 32 GLN HA 1 32 GLN QG . . 3.420 2.455 2.164 2.794 . 0 0 "[ . 1 . 2]" 2
303 1 31 HIS HA 1 34 VAL MG1 . . 4.580 3.125 2.771 3.429 . 0 0 "[ . 1 . 2]" 2
304 1 31 HIS HA 1 34 VAL MG2 . . 4.580 3.681 3.285 4.363 . 0 0 "[ . 1 . 2]" 2
305 1 31 HIS HD2 1 32 GLN QG . . 4.290 3.105 2.585 3.729 . 0 0 "[ . 1 . 2]" 2
306 1 28 LEU MD1 1 32 GLN QG . . 3.900 2.750 2.142 3.302 . 0 0 "[ . 1 . 2]" 2
307 1 30 GLN HA 1 30 GLN HG2 . . 4.190 3.110 2.273 4.209 0.019 19 0 "[ . 1 . 2]" 2
308 1 29 ILE MG 1 30 GLN HA . . 4.400 3.436 3.151 3.761 . 0 0 "[ . 1 . 2]" 2
309 1 33 ARG HA 1 33 ARG HG3 . . 3.960 3.197 2.231 3.793 . 0 0 "[ . 1 . 2]" 2
310 1 33 ARG HA 1 33 ARG HG2 . . 3.960 2.696 2.410 3.478 . 0 0 "[ . 1 . 2]" 2
311 1 16 LYS HA 1 19 GLY H . . 4.700 4.582 4.304 4.703 0.003 18 0 "[ . 1 . 2]" 2
312 1 16 LYS HA 1 16 LYS QD . . 3.970 3.559 2.156 3.982 0.012 8 0 "[ . 1 . 2]" 2
313 1 16 LYS HA 1 16 LYS QG . . 3.870 2.426 2.125 3.428 . 0 0 "[ . 1 . 2]" 2
314 1 20 LYS HA 1 20 LYS HG3 . . 3.980 2.326 2.214 2.502 . 0 0 "[ . 1 . 2]" 2
315 1 20 LYS HA 1 20 LYS HG2 . . 3.980 3.190 2.917 3.630 . 0 0 "[ . 1 . 2]" 2
316 1 28 LEU HA 1 31 HIS H . . 4.190 3.502 3.225 3.798 . 0 0 "[ . 1 . 2]" 2
317 1 28 LEU HA 1 28 LEU HG . . 4.180 3.313 3.133 3.449 . 0 0 "[ . 1 . 2]" 2
318 1 30 GLN HA 1 30 GLN HG3 . . 4.190 3.386 2.504 3.784 . 0 0 "[ . 1 . 2]" 2
319 1 30 GLN H 1 30 GLN HG2 . . 4.180 2.922 1.900 4.053 . 0 0 "[ . 1 . 2]" 2
320 1 20 LYS HB2 1 21 ALA H . . 4.610 4.366 4.037 4.485 . 0 0 "[ . 1 . 2]" 2
321 1 20 LYS HB2 1 22 PHE QE . . 4.500 3.959 3.670 4.308 . 0 0 "[ . 1 . 2]" 2
322 1 15 CYS HB2 1 20 LYS HB2 . . 5.130 4.276 3.531 4.829 . 0 0 "[ . 1 . 2]" 2
323 1 20 LYS HB3 1 21 ALA H . . 4.610 4.026 3.308 4.175 . 0 0 "[ . 1 . 2]" 2
324 1 15 CYS HB3 1 20 LYS HB3 . . 5.080 3.151 2.804 3.409 . 0 0 "[ . 1 . 2]" 2
325 1 15 CYS HB2 1 20 LYS HB3 . . 5.130 3.127 2.658 3.513 . 0 0 "[ . 1 . 2]" 2
326 1 27 HIS HA 1 30 GLN QB . . 3.660 3.227 2.612 3.676 0.016 18 0 "[ . 1 . 2]" 2
327 1 14 GLU QB 1 21 ALA HA . . 4.930 3.400 2.986 3.629 . 0 0 "[ . 1 . 2]" 2
328 1 14 GLU QB 1 21 ALA MB . . 4.540 3.065 2.465 3.523 . 0 0 "[ . 1 . 2]" 2
329 1 17 GLU QB 1 18 CYS HB2 . . 5.180 4.931 4.858 5.008 . 0 0 "[ . 1 . 2]" 2
330 1 18 CYS HB3 1 35 HIS HE1 . . 3.860 2.201 2.003 2.471 . 0 0 "[ . 1 . 2]" 2
331 1 17 GLU QB 1 18 CYS HB3 . . 5.180 3.556 3.477 3.666 . 0 0 "[ . 1 . 2]" 2
332 1 24 GLN HB2 1 27 HIS QB . . 4.890 2.795 2.078 3.589 . 0 0 "[ . 1 . 2]" 2
333 1 16 LYS QB 1 17 GLU H . . 4.230 3.599 2.913 3.868 . 0 0 "[ . 1 . 2]" 2
334 1 34 VAL H 1 34 VAL HB . . 3.740 3.612 3.579 3.637 . 0 0 "[ . 1 . 2]" 2
335 1 33 ARG H 1 33 ARG HB3 . . 3.960 3.575 3.543 3.605 . 0 0 "[ . 1 . 2]" 2
336 1 33 ARG HB2 1 34 VAL H . . 4.940 2.736 2.502 3.011 . 0 0 "[ . 1 . 2]" 2
337 1 11 LYS HA 1 12 PRO QD . . 3.270 2.046 1.906 2.148 . 0 0 "[ . 1 . 2]" 2
338 1 15 CYS HB3 1 28 LEU MD1 . . 4.120 3.548 3.275 3.856 . 0 0 "[ . 1 . 2]" 2
339 1 15 CYS HB3 1 20 LYS HB2 . . 5.080 3.602 3.202 4.104 . 0 0 "[ . 1 . 2]" 2
340 1 20 LYS HD3 1 31 HIS HE1 . . 4.510 3.927 2.615 4.508 . 0 0 "[ . 1 . 2]" 2
341 1 20 LYS HD3 1 22 PHE HZ . . 4.840 2.550 2.010 4.307 . 0 0 "[ . 1 . 2]" 2
342 1 20 LYS HD2 1 31 HIS HE1 . . 4.510 3.683 2.866 4.457 . 0 0 "[ . 1 . 2]" 2
343 1 20 LYS HD2 1 22 PHE HZ . . 4.840 3.510 2.141 4.844 0.004 18 0 "[ . 1 . 2]" 2
344 1 29 ILE HA 1 29 ILE HG12 . . 3.850 2.712 2.313 3.235 . 0 0 "[ . 1 . 2]" 2
345 1 28 LEU MD1 1 31 HIS HB2 . . 4.820 4.446 4.012 4.824 0.004 18 0 "[ . 1 . 2]" 2
346 1 28 LEU MD1 1 31 HIS HB3 . . 4.820 3.087 2.646 3.362 . 0 0 "[ . 1 . 2]" 2
347 1 32 GLN H 1 32 GLN HB3 . . 3.930 3.587 3.549 3.616 . 0 0 "[ . 1 . 2]" 2
348 1 28 LEU HG 1 29 ILE H . . 4.840 3.444 3.047 3.865 . 0 0 "[ . 1 . 2]" 2
349 1 28 LEU HG 1 32 GLN QG . . 4.290 3.013 2.411 3.414 . 0 0 "[ . 1 . 2]" 2
350 1 39 LYS HA 1 40 PRO HD3 . . 3.530 2.435 2.254 3.202 . 0 0 "[ . 1 . 2]" 2
351 1 39 LYS HA 1 40 PRO HD2 . . 3.530 2.260 2.000 2.495 . 0 0 "[ . 1 . 2]" 2
352 1 13 TYR HB2 1 28 LEU MD2 . . 3.900 3.406 2.890 3.859 . 0 0 "[ . 1 . 2]" 2
353 1 42 GLY HA2 1 43 PRO QD . . 3.720 2.307 1.960 3.431 . 0 0 "[ . 1 . 2]" 2
354 1 10 GLU H 1 10 GLU QB . . 3.370 2.595 2.173 3.262 . 0 0 "[ . 1 . 2]" 2
355 1 10 GLU H 1 10 GLU QG . . 4.610 2.983 1.935 4.226 . 0 0 "[ . 1 . 2]" 2
356 1 10 GLU HA 1 10 GLU QG . . 3.690 2.803 2.138 3.432 . 0 0 "[ . 1 . 2]" 2
357 1 10 GLU QB 1 11 LYS H . . 4.180 3.085 2.000 3.842 . 0 0 "[ . 1 . 2]" 2
358 1 11 LYS H 1 11 LYS QB . . 3.450 2.420 2.154 2.798 . 0 0 "[ . 1 . 2]" 2
359 1 11 LYS H 1 11 LYS QG . . 3.850 3.093 1.923 3.683 . 0 0 "[ . 1 . 2]" 2
360 1 11 LYS HA 1 11 LYS QG . . 3.670 2.463 2.176 2.836 . 0 0 "[ . 1 . 2]" 2
361 1 11 LYS HA 1 11 LYS QD . . 4.740 3.073 1.981 4.151 . 0 0 "[ . 1 . 2]" 2
362 1 11 LYS QB 1 12 PRO QD . . 3.930 2.286 1.975 3.637 . 0 0 "[ . 1 . 2]" 2
363 1 11 LYS QB 1 13 TYR H . . 3.750 2.340 2.175 2.926 . 0 0 "[ . 1 . 2]" 2
364 1 11 LYS QB 1 21 ALA MB . . 3.640 2.216 1.915 2.960 . 0 0 "[ . 1 . 2]" 2
365 1 11 LYS QB 1 22 PHE H . . 3.790 3.435 2.974 3.679 . 0 0 "[ . 1 . 2]" 2
366 1 11 LYS QG 1 23 SER QB . . 4.280 3.922 2.586 4.286 0.006 18 0 "[ . 1 . 2]" 2
367 1 12 PRO QB 1 13 TYR H . . 3.800 3.673 3.538 3.726 . 0 0 "[ . 1 . 2]" 2
368 1 12 PRO QB 1 13 TYR QE . . 5.260 3.566 3.187 4.080 . 0 0 "[ . 1 . 2]" 2
369 1 12 PRO QG 1 13 TYR H . . 4.670 3.171 2.898 3.286 . 0 0 "[ . 1 . 2]" 2
370 1 12 PRO QG 1 13 TYR QD . . 4.350 2.991 2.180 3.386 . 0 0 "[ . 1 . 2]" 2
371 1 12 PRO QG 1 13 TYR QE . . 4.290 2.791 2.309 3.024 . 0 0 "[ . 1 . 2]" 2
372 1 15 CYS H 1 20 LYS QB . . 3.910 3.485 3.169 3.723 . 0 0 "[ . 1 . 2]" 2
373 1 15 CYS HA 1 32 GLN QE . . 4.100 3.106 2.440 3.587 . 0 0 "[ . 1 . 2]" 2
374 1 15 CYS HB3 1 20 LYS QB . . 4.210 2.955 2.636 3.121 . 0 0 "[ . 1 . 2]" 2
375 1 17 GLU H 1 17 GLU QG . . 3.240 2.388 1.950 2.957 . 0 0 "[ . 1 . 2]" 2
376 1 17 GLU QB 1 18 CYS QB . . 4.390 3.479 3.408 3.580 . 0 0 "[ . 1 . 2]" 2
377 1 17 GLU QG 1 18 CYS H . . 4.080 3.737 3.634 3.871 . 0 0 "[ . 1 . 2]" 2
378 1 18 CYS H 1 18 CYS QB . . 3.370 2.963 2.836 3.076 . 0 0 "[ . 1 . 2]" 2
379 1 18 CYS QB 1 35 HIS HE1 . . 3.210 2.184 1.986 2.441 . 0 0 "[ . 1 . 2]" 2
380 1 19 GLY H 1 20 LYS QB . . 4.630 3.718 3.556 3.787 . 0 0 "[ . 1 . 2]" 2
381 1 20 LYS H 1 20 LYS QB . . 2.820 2.614 2.258 2.792 . 0 0 "[ . 1 . 2]" 2
382 1 20 LYS H 1 20 LYS QG . . 4.520 4.164 4.080 4.249 . 0 0 "[ . 1 . 2]" 2
383 1 20 LYS QB 1 21 ALA H . . 3.880 3.714 3.165 3.830 . 0 0 "[ . 1 . 2]" 2
384 1 20 LYS QB 1 22 PHE QE . . 3.880 2.289 2.003 2.718 . 0 0 "[ . 1 . 2]" 2
385 1 20 LYS QB 1 22 PHE HZ . . 4.070 2.898 2.510 3.429 . 0 0 "[ . 1 . 2]" 2
386 1 20 LYS QG 1 21 ALA H . . 3.360 2.842 1.889 3.071 . 0 0 "[ . 1 . 2]" 2
387 1 20 LYS QG 1 21 ALA HA . . 5.340 4.415 4.087 4.621 . 0 0 "[ . 1 . 2]" 2
388 1 20 LYS QG 1 22 PHE QE . . 5.130 2.996 2.518 3.522 . 0 0 "[ . 1 . 2]" 2
389 1 20 LYS QD 1 22 PHE QE . . 5.000 3.203 2.786 4.337 . 0 0 "[ . 1 . 2]" 2
390 1 22 PHE QE 1 31 HIS QB . . 4.180 2.836 2.454 3.207 . 0 0 "[ . 1 . 2]" 2
391 1 22 PHE HZ 1 31 HIS QB . . 3.900 2.563 2.005 3.016 . 0 0 "[ . 1 . 2]" 2
392 1 23 SER QB 1 24 GLN H . . 4.000 3.038 2.439 3.816 . 0 0 "[ . 1 . 2]" 2
393 1 24 GLN H 1 24 GLN QG . . 4.020 3.140 2.836 3.692 . 0 0 "[ . 1 . 2]" 2
394 1 25 THR HA 1 29 ILE QG . . 4.630 4.309 3.908 4.567 . 0 0 "[ . 1 . 2]" 2
395 1 26 THR HA 1 29 ILE QG . . 4.450 3.201 2.050 3.743 . 0 0 "[ . 1 . 2]" 2
396 1 28 LEU H 1 29 ILE QG . . 5.000 4.021 3.414 4.346 . 0 0 "[ . 1 . 2]" 2
397 1 28 LEU HA 1 31 HIS QB . . 3.910 2.599 2.100 3.103 . 0 0 "[ . 1 . 2]" 2
398 1 28 LEU HG 1 32 GLN QE . . 4.180 2.981 1.863 3.701 . 0 0 "[ . 1 . 2]" 2
399 1 28 LEU MD1 1 31 HIS QB . . 4.120 3.033 2.615 3.302 . 0 0 "[ . 1 . 2]" 2
400 1 28 LEU MD1 1 32 GLN QE . . 3.590 2.486 2.126 2.901 . 0 0 "[ . 1 . 2]" 2
401 1 29 ILE H 1 29 ILE QG . . 2.890 2.020 1.887 2.394 . 0 0 "[ . 1 . 2]" 2
402 1 29 ILE HA 1 29 ILE QG . . 3.280 2.519 2.257 3.059 . 0 0 "[ . 1 . 2]" 2
403 1 29 ILE HA 1 32 GLN QE . . 5.010 4.223 3.065 5.002 . 0 0 "[ . 1 . 2]" 2
404 1 29 ILE QG 1 30 GLN H . . 4.200 3.976 3.681 4.113 . 0 0 "[ . 1 . 2]" 2
405 1 30 GLN H 1 30 GLN QG . . 3.340 2.467 1.880 3.333 . 0 0 "[ . 1 . 2]" 2
406 1 30 GLN HA 1 30 GLN QG . . 3.580 2.801 2.203 3.417 . 0 0 "[ . 1 . 2]" 2
407 1 30 GLN HA 1 33 ARG QG . . 3.840 2.806 1.993 3.873 0.033 14 0 "[ . 1 . 2]" 2
408 1 30 GLN HA 1 33 ARG QD . . 4.520 3.477 1.911 4.471 . 0 0 "[ . 1 . 2]" 2
409 1 31 HIS H 1 31 HIS QB . . 2.610 2.179 2.148 2.236 . 0 0 "[ . 1 . 2]" 2
410 1 31 HIS HA 1 34 VAL QG . . 4.010 2.942 2.733 3.273 . 0 0 "[ . 1 . 2]" 2
411 1 31 HIS QB 1 32 GLN H . . 3.300 2.722 2.548 3.035 . 0 0 "[ . 1 . 2]" 2
412 1 31 HIS HE1 1 34 VAL QG . . 3.570 2.703 2.262 3.052 . 0 0 "[ . 1 . 2]" 2
413 1 32 GLN H 1 33 ARG QG . . 5.340 4.441 3.875 5.310 . 0 0 "[ . 1 . 2]" 2
414 1 32 GLN HA 1 34 VAL QG . . 5.040 3.274 3.039 3.450 . 0 0 "[ . 1 . 2]" 2
415 1 33 ARG H 1 33 ARG QG . . 3.160 2.363 1.982 3.177 0.017 14 0 "[ . 1 . 2]" 2
416 1 33 ARG H 1 33 ARG QD . . 3.970 3.639 1.879 3.977 0.007 17 0 "[ . 1 . 2]" 2
417 1 33 ARG HA 1 33 ARG QG . . 3.120 2.507 2.206 3.000 . 0 0 "[ . 1 . 2]" 2
418 1 33 ARG HA 1 33 ARG QD . . 4.520 3.310 2.054 4.172 . 0 0 "[ . 1 . 2]" 2
419 1 33 ARG HB2 1 33 ARG QD . . 3.460 2.742 2.209 3.459 . 0 0 "[ . 1 . 2]" 2
420 1 33 ARG HB3 1 33 ARG QD . . 3.680 2.525 2.107 3.212 . 0 0 "[ . 1 . 2]" 2
421 1 33 ARG QD 1 34 VAL H . . 5.340 4.859 4.096 5.261 . 0 0 "[ . 1 . 2]" 2
422 1 34 VAL QG 1 35 HIS H . . 3.520 2.230 1.961 2.545 . 0 0 "[ . 1 . 2]" 2
423 1 36 THR H 1 37 GLY QA . . 5.340 4.268 3.961 4.707 . 0 0 "[ . 1 . 2]" 2
424 1 38 GLU H 1 38 GLU QB . . 3.330 2.426 2.251 2.750 . 0 0 "[ . 1 . 2]" 2
425 1 38 GLU H 1 38 GLU QG . . 4.070 3.509 2.093 4.069 . 0 0 "[ . 1 . 2]" 2
426 1 38 GLU QB 1 39 LYS H . . 4.010 3.541 2.310 4.019 0.009 20 0 "[ . 1 . 2]" 2
427 1 39 LYS H 1 39 LYS QB . . 3.380 2.607 2.238 3.204 . 0 0 "[ . 1 . 2]" 2
428 1 39 LYS HA 1 40 PRO QD . . 3.080 2.045 1.958 2.263 . 0 0 "[ . 1 . 2]" 2
429 1 39 LYS QB 1 40 PRO QD . . 3.890 2.670 1.971 3.822 . 0 0 "[ . 1 . 2]" 2
430 1 42 GLY QA 1 43 PRO QD . . 3.230 1.994 1.908 2.140 . 0 0 "[ . 1 . 2]" 2
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