NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
509360 |
2ytq   |
10222 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ytq
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 4
_Distance_constraint_stats_list.Viol_total 0.060
_Distance_constraint_stats_list.Viol_max 0.002
_Distance_constraint_stats_list.Viol_rms 0.0001
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_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 0.003 0.002 18 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 HIS 0.002 0.002 18 0 "[ . 1 . 2]"
1 35 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 ZN 0.001 0.000 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 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.261 2.190 2.390 0.000 16 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.455 3.340 3.510 . 0 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.290 2.211 2.388 . 0 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.392 3.252 3.508 . 0 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.037 1.908 2.100 . 0 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 2.033 1.901 2.099 . 0 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.776 3.597 3.953 . 0 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.594 3.351 3.722 0.002 18 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.502 3.321 3.707 . 0 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.509 3.320 3.720 . 0 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.483 3.322 3.643 . 0 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.211 3.000 3.558 . 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 432
_Distance_constraint_stats_list.Viol_count 31
_Distance_constraint_stats_list.Viol_total 4.917
_Distance_constraint_stats_list.Viol_max 0.077
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0079
_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 0.017 0.017 13 0 "[ . 1 . 2]"
1 12 PRO 0.017 0.017 13 0 "[ . 1 . 2]"
1 13 TYR 0.009 0.009 18 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.008 0.007 18 0 "[ . 1 . 2]"
1 18 CYS 0.007 0.006 12 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 0.001 0.001 14 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.020 0.020 18 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.002 0.002 12 0 "[ . 1 . 2]"
1 28 LEU 0.017 0.009 18 0 "[ . 1 . 2]"
1 29 ILE 0.030 0.020 18 0 "[ . 1 . 2]"
1 30 ILE 0.007 0.006 18 0 "[ . 1 . 2]"
1 31 HIS 0.026 0.013 19 0 "[ . 1 . 2]"
1 32 MET 0.012 0.005 18 0 "[ . 1 . 2]"
1 33 ARG 0.155 0.077 19 0 "[ . 1 . 2]"
1 34 THR 0.004 0.003 14 0 "[ . 1 . 2]"
1 35 HIS 0.013 0.007 18 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 1 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 1 0 "[ . 1 . 2]"
1 40 PRO 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 TYR QD 1 25 LYS H . . 4.940 4.159 3.395 4.735 . 0 0 "[ . 1 . 2]" 2
2 1 13 TYR QE 1 25 LYS H . . 4.430 3.538 2.540 4.323 . 0 0 "[ . 1 . 2]" 2
3 1 24 SER HB2 1 25 LYS H . . 4.510 3.348 2.249 4.396 . 0 0 "[ . 1 . 2]" 2
4 1 24 SER HB3 1 25 LYS H . . 4.510 3.087 2.028 4.151 . 0 0 "[ . 1 . 2]" 2
5 1 25 LYS H 1 25 LYS HB2 . . 3.720 2.626 2.174 3.591 . 0 0 "[ . 1 . 2]" 2
6 1 25 LYS H 1 25 LYS HB3 . . 3.720 2.608 2.314 3.488 . 0 0 "[ . 1 . 2]" 2
7 1 15 CYS H 1 22 PHE QD . . 4.760 3.693 3.261 4.433 . 0 0 "[ . 1 . 2]" 2
8 1 35 HIS H 1 36 SER H . . 4.170 3.156 1.982 4.149 . 0 0 "[ . 1 . 2]" 2
9 1 15 CYS H 1 31 HIS HD2 . . 5.250 5.055 4.700 5.248 . 0 0 "[ . 1 . 2]" 2
10 1 15 CYS H 1 22 PHE QE . . 4.490 3.464 2.673 4.406 . 0 0 "[ . 1 . 2]" 2
11 1 15 CYS H 1 15 CYS HB3 . . 3.180 2.439 2.259 2.590 . 0 0 "[ . 1 . 2]" 2
12 1 14 GLY H 1 15 CYS H . . 4.490 3.890 3.234 4.255 . 0 0 "[ . 1 . 2]" 2
13 1 15 CYS H 1 20 LYS H . . 4.480 3.576 2.908 4.330 . 0 0 "[ . 1 . 2]" 2
14 1 15 CYS H 1 21 ALA HA . . 3.810 2.983 2.645 3.185 . 0 0 "[ . 1 . 2]" 2
15 1 15 CYS H 1 15 CYS HB2 . . 3.310 2.677 2.491 3.064 . 0 0 "[ . 1 . 2]" 2
16 1 15 CYS H 1 21 ALA MB . . 4.400 4.186 3.901 4.382 . 0 0 "[ . 1 . 2]" 2
17 1 15 CYS H 1 28 LEU MD1 . . 4.070 2.480 1.925 3.490 . 0 0 "[ . 1 . 2]" 2
18 1 38 GLU HA 1 39 LYS H . . 3.320 2.388 2.137 3.320 . 1 0 "[ . 1 . 2]" 2
19 1 39 LYS H 1 39 LYS QG . . 4.670 3.286 1.902 4.259 . 0 0 "[ . 1 . 2]" 2
20 1 15 CYS HB3 1 17 GLU H . . 5.210 4.216 3.571 5.033 . 0 0 "[ . 1 . 2]" 2
21 1 17 GLU H 1 17 GLU HB2 . . 3.700 2.606 2.249 3.159 . 0 0 "[ . 1 . 2]" 2
22 1 15 CYS HB2 1 17 GLU H . . 5.240 4.642 4.372 5.058 . 0 0 "[ . 1 . 2]" 2
23 1 17 GLU H 1 17 GLU HB3 . . 3.700 3.305 2.567 3.677 . 0 0 "[ . 1 . 2]" 2
24 1 15 CYS HB3 1 20 LYS H . . 3.620 2.044 1.907 2.367 . 0 0 "[ . 1 . 2]" 2
25 1 15 CYS HB2 1 20 LYS H . . 4.100 3.752 3.478 4.080 . 0 0 "[ . 1 . 2]" 2
26 1 20 LYS H 1 20 LYS HG2 . . 5.190 4.492 2.884 4.816 . 0 0 "[ . 1 . 2]" 2
27 1 20 LYS H 1 20 LYS QD . . 5.490 4.572 3.920 4.999 . 0 0 "[ . 1 . 2]" 2
28 1 20 LYS H 1 20 LYS HB2 . . 3.780 2.675 2.416 2.942 . 0 0 "[ . 1 . 2]" 2
29 1 20 LYS H 1 20 LYS HB3 . . 3.780 3.201 2.715 3.738 . 0 0 "[ . 1 . 2]" 2
30 1 23 SER H 1 24 SER H . . 4.920 2.545 2.102 3.181 . 0 0 "[ . 1 . 2]" 2
31 1 21 ALA H 1 22 PHE H . . 4.960 4.502 4.396 4.580 . 0 0 "[ . 1 . 2]" 2
32 1 22 PHE HB3 1 24 SER H . . 3.540 3.121 2.932 3.518 . 0 0 "[ . 1 . 2]" 2
33 1 24 SER H 1 27 TYR HB2 . . 4.320 3.091 2.457 4.284 . 0 0 "[ . 1 . 2]" 2
34 1 24 SER H 1 27 TYR HB3 . . 4.320 3.987 2.753 4.318 . 0 0 "[ . 1 . 2]" 2
35 1 22 PHE HB2 1 24 SER H . . 3.780 3.590 2.889 3.779 . 0 0 "[ . 1 . 2]" 2
36 1 24 SER H 1 25 LYS H . . 4.820 4.398 3.810 4.532 . 0 0 "[ . 1 . 2]" 2
37 1 20 LYS H 1 21 ALA H . . 4.800 4.336 4.049 4.518 . 0 0 "[ . 1 . 2]" 2
38 1 20 LYS HA 1 21 ALA H . . 2.840 2.257 2.140 2.610 . 0 0 "[ . 1 . 2]" 2
39 1 20 LYS HG2 1 21 ALA H . . 5.120 3.566 1.909 4.901 . 0 0 "[ . 1 . 2]" 2
40 1 20 LYS QD 1 21 ALA H . . 5.500 4.569 3.350 5.454 . 0 0 "[ . 1 . 2]" 2
41 1 21 ALA H 1 21 ALA MB . . 3.140 2.390 2.221 2.678 . 0 0 "[ . 1 . 2]" 2
42 1 17 GLU H 1 19 GLY H . . 4.180 3.538 3.121 4.172 . 0 0 "[ . 1 . 2]" 2
43 1 15 CYS HB3 1 19 GLY H . . 3.650 3.233 2.688 3.519 . 0 0 "[ . 1 . 2]" 2
44 1 26 SER QB 1 28 LEU H . . 4.850 4.722 4.409 4.850 . 0 0 "[ . 1 . 2]" 2
45 1 25 LYS HA 1 28 LEU H . . 4.030 3.496 3.129 3.789 . 0 0 "[ . 1 . 2]" 2
46 1 28 LEU H 1 28 LEU HB3 . . 3.260 2.359 2.151 2.553 . 0 0 "[ . 1 . 2]" 2
47 1 28 LEU H 1 28 LEU HB2 . . 3.450 2.688 2.491 3.025 . 0 0 "[ . 1 . 2]" 2
48 1 28 LEU H 1 28 LEU MD1 . . 4.540 4.170 4.033 4.316 . 0 0 "[ . 1 . 2]" 2
49 1 28 LEU H 1 28 LEU MD2 . . 4.840 4.179 4.003 4.228 . 0 0 "[ . 1 . 2]" 2
50 1 28 LEU H 1 29 ILE HB . . 5.250 4.905 4.671 5.189 . 0 0 "[ . 1 . 2]" 2
51 1 13 TYR HA 1 14 GLY H . . 2.800 2.307 2.145 2.534 . 0 0 "[ . 1 . 2]" 2
52 1 13 TYR HB3 1 14 GLY H . . 4.280 3.220 2.342 4.226 . 0 0 "[ . 1 . 2]" 2
53 1 14 GLY H 1 28 LEU MD2 . . 4.210 2.461 1.858 3.955 . 0 0 "[ . 1 . 2]" 2
54 1 11 LYS H 1 12 PRO HD2 . . 5.500 4.632 2.483 4.839 . 0 0 "[ . 1 . 2]" 2
55 1 11 LYS H 1 12 PRO HD3 . . 5.500 4.673 2.381 5.034 . 0 0 "[ . 1 . 2]" 2
56 1 37 GLY H 1 38 GLU H . . 5.030 3.182 2.011 4.438 . 0 0 "[ . 1 . 2]" 2
57 1 38 GLU H 1 39 LYS H . . 5.370 3.885 1.873 4.636 . 0 0 "[ . 1 . 2]" 2
58 1 38 GLU H 1 38 GLU HG2 . . 5.420 3.671 1.902 4.790 . 0 0 "[ . 1 . 2]" 2
59 1 38 GLU H 1 38 GLU HG3 . . 5.420 3.645 2.359 4.771 . 0 0 "[ . 1 . 2]" 2
60 1 28 LEU H 1 29 ILE H . . 3.330 2.716 2.463 3.008 . 0 0 "[ . 1 . 2]" 2
61 1 29 ILE H 1 30 ILE H . . 3.630 2.870 2.704 3.021 . 0 0 "[ . 1 . 2]" 2
62 1 26 SER HA 1 29 ILE H . . 4.200 3.461 3.241 3.770 . 0 0 "[ . 1 . 2]" 2
63 1 25 LYS HA 1 29 ILE H . . 4.580 4.368 3.988 4.580 0.000 3 0 "[ . 1 . 2]" 2
64 1 10 GLU H 1 10 GLU HG2 . . 5.390 3.515 2.204 4.991 . 0 0 "[ . 1 . 2]" 2
65 1 10 GLU H 1 10 GLU HG3 . . 5.390 3.458 2.116 4.600 . 0 0 "[ . 1 . 2]" 2
66 1 28 LEU HB3 1 29 ILE H . . 3.550 2.577 2.393 2.814 . 0 0 "[ . 1 . 2]" 2
67 1 29 ILE H 1 29 ILE HB . . 3.120 2.569 2.489 2.638 . 0 0 "[ . 1 . 2]" 2
68 1 28 LEU HG 1 29 ILE H . . 3.980 3.404 2.917 3.693 . 0 0 "[ . 1 . 2]" 2
69 1 28 LEU HB2 1 29 ILE H . . 4.180 3.931 3.800 4.068 . 0 0 "[ . 1 . 2]" 2
70 1 29 ILE H 1 29 ILE HG12 . . 3.700 3.197 2.009 3.710 0.010 18 0 "[ . 1 . 2]" 2
71 1 28 LEU MD1 1 29 ILE H . . 4.600 4.348 4.138 4.563 . 0 0 "[ . 1 . 2]" 2
72 1 28 LEU MD2 1 29 ILE H . . 4.830 4.039 3.781 4.345 . 0 0 "[ . 1 . 2]" 2
73 1 29 ILE H 1 29 ILE MG . . 3.950 3.764 3.756 3.769 . 0 0 "[ . 1 . 2]" 2
74 1 31 HIS H 1 32 MET HB2 . . 4.940 4.506 4.277 4.709 . 0 0 "[ . 1 . 2]" 2
75 1 31 HIS H 1 32 MET H . . 3.560 2.511 2.162 2.662 . 0 0 "[ . 1 . 2]" 2
76 1 30 ILE H 1 31 HIS H . . 3.390 2.787 2.630 2.884 . 0 0 "[ . 1 . 2]" 2
77 1 31 HIS H 1 31 HIS HD2 . . 4.980 4.838 4.711 4.973 . 0 0 "[ . 1 . 2]" 2
78 1 31 HIS H 1 31 HIS HB3 . . 3.120 2.351 2.286 2.438 . 0 0 "[ . 1 . 2]" 2
79 1 31 HIS H 1 31 HIS HB2 . . 3.290 2.808 2.723 2.959 . 0 0 "[ . 1 . 2]" 2
80 1 30 ILE HB 1 31 HIS H . . 3.410 2.821 2.647 3.195 . 0 0 "[ . 1 . 2]" 2
81 1 28 LEU MD1 1 31 HIS H . . 4.890 4.495 4.213 4.761 . 0 0 "[ . 1 . 2]" 2
82 1 30 ILE MG 1 31 HIS H . . 3.960 3.631 3.489 3.867 . 0 0 "[ . 1 . 2]" 2
83 1 32 MET H 1 34 THR H . . 5.000 4.489 4.200 4.665 . 0 0 "[ . 1 . 2]" 2
84 1 34 THR H 1 34 THR HB . . 3.730 3.199 2.338 3.684 . 0 0 "[ . 1 . 2]" 2
85 1 34 THR H 1 35 HIS HB2 . . 4.820 4.531 4.059 4.818 . 0 0 "[ . 1 . 2]" 2
86 1 34 THR H 1 34 THR MG . . 3.300 2.231 1.896 2.622 . 0 0 "[ . 1 . 2]" 2
87 1 32 MET HB3 1 34 THR H . . 5.300 5.259 5.182 5.301 0.001 14 0 "[ . 1 . 2]" 2
88 1 30 ILE H 1 32 MET H . . 4.980 4.352 3.974 4.545 . 0 0 "[ . 1 . 2]" 2
89 1 32 MET H 1 33 ARG H . . 3.470 2.689 2.388 2.813 . 0 0 "[ . 1 . 2]" 2
90 1 27 TYR HA 1 30 ILE H . . 3.980 3.763 3.557 3.968 . 0 0 "[ . 1 . 2]" 2
91 1 26 SER HA 1 30 ILE H . . 4.850 4.210 3.622 4.572 . 0 0 "[ . 1 . 2]" 2
92 1 29 ILE HA 1 32 MET H . . 4.050 3.277 3.036 3.396 . 0 0 "[ . 1 . 2]" 2
93 1 31 HIS HB3 1 32 MET H . . 3.380 2.634 2.479 3.038 . 0 0 "[ . 1 . 2]" 2
94 1 32 MET H 1 32 MET HG2 . . 4.070 2.577 2.189 2.901 . 0 0 "[ . 1 . 2]" 2
95 1 30 ILE H 1 31 HIS HB3 . . 5.020 4.899 4.763 5.010 . 0 0 "[ . 1 . 2]" 2
96 1 32 MET H 1 32 MET HB2 . . 3.200 2.380 2.225 2.536 . 0 0 "[ . 1 . 2]" 2
97 1 29 ILE HB 1 32 MET H . . 5.500 5.430 5.221 5.500 0.000 4 0 "[ . 1 . 2]" 2
98 1 30 ILE H 1 30 ILE HG13 . . 2.960 1.931 1.900 1.997 . 0 0 "[ . 1 . 2]" 2
99 1 30 ILE H 1 30 ILE HG12 . . 3.700 3.391 3.269 3.486 . 0 0 "[ . 1 . 2]" 2
100 1 28 LEU MD1 1 32 MET H . . 4.380 3.918 3.676 4.355 . 0 0 "[ . 1 . 2]" 2
101 1 29 ILE MG 1 32 MET H . . 5.140 4.417 4.166 4.559 . 0 0 "[ . 1 . 2]" 2
102 1 30 ILE MG 1 32 MET H . . 5.500 5.206 5.058 5.446 . 0 0 "[ . 1 . 2]" 2
103 1 29 ILE MG 1 30 ILE H . . 3.530 3.217 2.992 3.467 . 0 0 "[ . 1 . 2]" 2
104 1 31 HIS HD2 1 32 MET H . . 4.410 3.585 3.337 4.278 . 0 0 "[ . 1 . 2]" 2
105 1 29 ILE HB 1 30 ILE H . . 3.540 2.352 2.125 2.588 . 0 0 "[ . 1 . 2]" 2
106 1 22 PHE HB3 1 27 TYR H . . 5.040 4.716 4.411 5.021 . 0 0 "[ . 1 . 2]" 2
107 1 27 TYR H 1 30 ILE HG13 . . 5.410 5.113 4.638 5.366 . 0 0 "[ . 1 . 2]" 2
108 1 27 TYR H 1 29 ILE H . . 4.800 4.334 4.110 4.460 . 0 0 "[ . 1 . 2]" 2
109 1 24 SER HB2 1 27 TYR H . . 4.680 3.506 2.536 4.630 . 0 0 "[ . 1 . 2]" 2
110 1 26 SER QB 1 27 TYR H . . 3.670 2.560 2.178 3.282 . 0 0 "[ . 1 . 2]" 2
111 1 27 TYR H 1 27 TYR HB2 . . 3.770 2.269 2.175 2.496 . 0 0 "[ . 1 . 2]" 2
112 1 27 TYR H 1 27 TYR HB3 . . 3.770 3.376 2.562 3.587 . 0 0 "[ . 1 . 2]" 2
113 1 33 ARG H 1 33 ARG HG3 . . 3.880 2.821 2.054 3.740 . 0 0 "[ . 1 . 2]" 2
114 1 33 ARG H 1 34 THR H . . 3.430 2.754 2.413 2.935 . 0 0 "[ . 1 . 2]" 2
115 1 34 THR H 1 35 HIS H . . 3.230 2.550 2.232 2.808 . 0 0 "[ . 1 . 2]" 2
116 1 32 MET HA 1 35 HIS H . . 3.910 3.171 2.786 3.818 . 0 0 "[ . 1 . 2]" 2
117 1 35 HIS H 1 35 HIS HB3 . . 3.760 3.582 3.508 3.640 . 0 0 "[ . 1 . 2]" 2
118 1 33 ARG H 1 33 ARG QD . . 4.330 3.760 3.340 4.330 . 0 0 "[ . 1 . 2]" 2
119 1 35 HIS H 1 35 HIS HB2 . . 3.330 2.369 2.204 2.525 . 0 0 "[ . 1 . 2]" 2
120 1 32 MET HB3 1 35 HIS H . . 5.320 4.716 4.290 5.130 . 0 0 "[ . 1 . 2]" 2
121 1 32 MET ME 1 35 HIS H . . 5.500 4.897 3.754 5.500 . 18 0 "[ . 1 . 2]" 2
122 1 32 MET HB2 1 33 ARG H . . 3.910 3.120 2.924 3.396 . 0 0 "[ . 1 . 2]" 2
123 1 33 ARG H 1 33 ARG HB2 . . 3.720 2.709 2.355 3.617 . 0 0 "[ . 1 . 2]" 2
124 1 34 THR MG 1 35 HIS H . . 4.340 3.158 1.844 4.324 . 0 0 "[ . 1 . 2]" 2
125 1 35 HIS H 1 35 HIS HD2 . . 4.250 3.719 3.069 4.234 . 0 0 "[ . 1 . 2]" 2
126 1 30 ILE HA 1 33 ARG H . . 4.400 3.794 3.624 4.000 . 0 0 "[ . 1 . 2]" 2
127 1 13 TYR H 1 13 TYR QD . . 3.570 2.668 2.335 3.169 . 0 0 "[ . 1 . 2]" 2
128 1 13 TYR H 1 13 TYR QE . . 4.750 4.149 3.747 4.459 . 0 0 "[ . 1 . 2]" 2
129 1 11 LYS HA 1 13 TYR H . . 4.620 3.924 2.967 4.322 . 0 0 "[ . 1 . 2]" 2
130 1 13 TYR H 1 13 TYR HB3 . . 3.750 3.649 3.517 3.740 . 0 0 "[ . 1 . 2]" 2
131 1 12 PRO HB2 1 13 TYR H . . 4.540 3.458 3.005 3.975 . 0 0 "[ . 1 . 2]" 2
132 1 12 PRO HB3 1 13 TYR H . . 4.540 4.213 3.950 4.510 . 0 0 "[ . 1 . 2]" 2
133 1 22 PHE H 1 22 PHE QD . . 3.350 2.832 2.507 3.339 . 0 0 "[ . 1 . 2]" 2
134 1 22 PHE H 1 22 PHE QE . . 5.220 4.836 4.602 5.065 . 0 0 "[ . 1 . 2]" 2
135 1 21 ALA HA 1 22 PHE H . . 3.030 2.381 2.219 2.548 . 0 0 "[ . 1 . 2]" 2
136 1 22 PHE H 1 22 PHE HB3 . . 4.000 3.908 3.766 4.000 . 0 0 "[ . 1 . 2]" 2
137 1 22 PHE H 1 22 PHE HB2 . . 3.420 2.886 2.629 3.069 . 0 0 "[ . 1 . 2]" 2
138 1 21 ALA MB 1 22 PHE H . . 3.500 2.455 2.227 2.828 . 0 0 "[ . 1 . 2]" 2
139 1 17 GLU HG2 1 18 CYS H . . 5.500 4.559 3.900 5.058 . 0 0 "[ . 1 . 2]" 2
140 1 17 GLU HG3 1 18 CYS H . . 5.500 4.581 3.160 5.199 . 0 0 "[ . 1 . 2]" 2
141 1 17 GLU H 1 18 CYS H . . 3.200 2.417 1.852 3.022 . 0 0 "[ . 1 . 2]" 2
142 1 18 CYS H 1 19 GLY H . . 2.980 2.058 1.882 2.212 . 0 0 "[ . 1 . 2]" 2
143 1 18 CYS H 1 19 GLY HA2 . . 5.030 4.233 4.036 4.441 . 0 0 "[ . 1 . 2]" 2
144 1 18 CYS H 1 18 CYS HB3 . . 3.850 2.932 2.753 3.144 . 0 0 "[ . 1 . 2]" 2
145 1 18 CYS H 1 18 CYS HB2 . . 3.850 3.762 3.695 3.856 0.006 12 0 "[ . 1 . 2]" 2
146 1 17 GLU HB2 1 18 CYS H . . 3.720 2.972 2.414 3.720 . 0 0 "[ . 1 . 2]" 2
147 1 17 GLU HB3 1 18 CYS H . . 3.720 2.911 2.243 3.517 . 0 0 "[ . 1 . 2]" 2
148 1 27 TYR H 1 30 ILE MD . . 4.760 4.007 3.591 4.652 . 0 0 "[ . 1 . 2]" 2
149 1 33 ARG H 1 34 THR MG . . 4.570 4.168 3.440 4.496 . 0 0 "[ . 1 . 2]" 2
150 1 29 ILE MG 1 33 ARG H . . 5.080 4.290 3.821 4.802 . 0 0 "[ . 1 . 2]" 2
151 1 30 ILE MG 1 33 ARG H . . 5.500 4.604 4.394 5.016 . 0 0 "[ . 1 . 2]" 2
152 1 33 ARG H 1 33 ARG HB3 . . 3.720 3.367 2.276 3.606 . 0 0 "[ . 1 . 2]" 2
153 1 13 TYR H 1 13 TYR HB2 . . 3.330 2.747 2.638 3.001 . 0 0 "[ . 1 . 2]" 2
154 1 13 TYR HB2 1 14 GLY H . . 4.530 3.829 3.060 4.391 . 0 0 "[ . 1 . 2]" 2
155 1 25 LYS HG2 1 29 ILE MD . . 4.370 3.180 2.006 4.390 0.020 18 0 "[ . 1 . 2]" 2
156 1 15 CYS HB3 1 22 PHE QE . . 4.180 3.465 2.978 4.089 . 0 0 "[ . 1 . 2]" 2
157 1 22 PHE QE 1 31 HIS HB3 . . 4.490 3.104 2.758 3.430 . 0 0 "[ . 1 . 2]" 2
158 1 20 LYS QD 1 22 PHE QE . . 5.250 3.615 2.309 4.545 . 0 0 "[ . 1 . 2]" 2
159 1 20 LYS HB2 1 22 PHE QE . . 4.340 3.904 2.703 4.329 . 0 0 "[ . 1 . 2]" 2
160 1 20 LYS HB3 1 22 PHE QE . . 4.340 2.851 2.057 3.536 . 0 0 "[ . 1 . 2]" 2
161 1 25 LYS HG3 1 29 ILE MD . . 4.370 3.597 2.092 4.354 . 0 0 "[ . 1 . 2]" 2
162 1 39 LYS HA 1 40 PRO HD2 . . 3.770 2.242 2.000 2.457 . 0 0 "[ . 1 . 2]" 2
163 1 39 LYS HA 1 40 PRO HD3 . . 3.770 2.415 2.254 3.224 . 0 0 "[ . 1 . 2]" 2
164 1 11 LYS HA 1 12 PRO HD2 . . 3.990 2.278 2.004 2.465 . 0 0 "[ . 1 . 2]" 2
165 1 11 LYS HA 1 12 PRO HD3 . . 3.990 2.379 2.254 3.355 . 0 0 "[ . 1 . 2]" 2
166 1 42 GLY HA2 1 43 PRO QD . . 3.870 2.342 1.957 3.420 . 0 0 "[ . 1 . 2]" 2
167 1 22 PHE HZ 1 31 HIS HE1 . . 4.940 4.324 3.607 4.795 . 0 0 "[ . 1 . 2]" 2
168 1 28 LEU MD1 1 31 HIS HD2 . . 3.700 3.116 2.836 3.491 . 0 0 "[ . 1 . 2]" 2
169 1 22 PHE QE 1 28 LEU MD1 . . 3.900 2.237 1.882 2.645 . 0 0 "[ . 1 . 2]" 2
170 1 15 CYS HA 1 28 LEU MD1 . . 4.120 2.506 1.969 3.056 . 0 0 "[ . 1 . 2]" 2
171 1 28 LEU HA 1 28 LEU MD1 . . 3.270 2.183 1.979 2.395 . 0 0 "[ . 1 . 2]" 2
172 1 22 PHE HZ 1 31 HIS HB3 . . 4.620 2.882 2.402 3.448 . 0 0 "[ . 1 . 2]" 2
173 1 28 LEU MD1 1 31 HIS HB3 . . 3.940 3.127 2.835 3.348 . 0 0 "[ . 1 . 2]" 2
174 1 15 CYS HB2 1 28 LEU MD1 . . 3.470 2.277 1.862 2.632 . 0 0 "[ . 1 . 2]" 2
175 1 22 PHE HZ 1 31 HIS HB2 . . 4.350 2.267 2.032 3.063 . 0 0 "[ . 1 . 2]" 2
176 1 20 LYS QD 1 22 PHE HZ . . 4.100 2.975 1.987 4.099 . 0 0 "[ . 1 . 2]" 2
177 1 20 LYS HB3 1 22 PHE HZ . . 4.850 3.168 2.171 3.714 . 0 0 "[ . 1 . 2]" 2
178 1 21 ALA MB 1 22 PHE HB2 . . 5.090 4.906 4.717 5.076 . 0 0 "[ . 1 . 2]" 2
179 1 20 LYS HA 1 21 ALA MB . . 4.230 3.928 3.720 4.042 . 0 0 "[ . 1 . 2]" 2
180 1 31 HIS HB3 1 31 HIS HD2 . . 3.950 2.762 2.691 2.843 . 0 0 "[ . 1 . 2]" 2
181 1 31 HIS HD2 1 32 MET ME . . 4.920 3.884 2.437 4.664 . 0 0 "[ . 1 . 2]" 2
182 1 35 HIS HB2 1 35 HIS HD2 . . 3.650 2.704 2.690 2.742 . 0 0 "[ . 1 . 2]" 2
183 1 17 GLU HG2 1 35 HIS HD2 . . 5.500 4.608 3.492 5.498 . 0 0 "[ . 1 . 2]" 2
184 1 17 GLU HG3 1 35 HIS HD2 . . 5.500 4.485 3.441 5.386 . 0 0 "[ . 1 . 2]" 2
185 1 17 GLU HB2 1 35 HIS HD2 . . 5.040 3.523 2.672 4.421 . 0 0 "[ . 1 . 2]" 2
186 1 17 GLU HB3 1 35 HIS HD2 . . 5.040 3.835 2.926 4.966 . 0 0 "[ . 1 . 2]" 2
187 1 34 THR HA 1 34 THR MG . . 3.210 2.737 2.265 3.203 . 0 0 "[ . 1 . 2]" 2
188 1 18 CYS H 1 19 GLY HA3 . . 5.030 4.703 4.550 4.876 . 0 0 "[ . 1 . 2]" 2
189 1 42 GLY HA3 1 43 PRO QD . . 3.870 2.630 1.980 3.419 . 0 0 "[ . 1 . 2]" 2
190 1 22 PHE HB3 1 28 LEU HB2 . . 4.630 4.295 3.571 4.614 . 0 0 "[ . 1 . 2]" 2
191 1 22 PHE HB3 1 28 LEU MD1 . . 5.370 5.176 4.767 5.361 . 0 0 "[ . 1 . 2]" 2
192 1 22 PHE HB2 1 28 LEU MD1 . . 4.700 4.039 3.732 4.254 . 0 0 "[ . 1 . 2]" 2
193 1 22 PHE HB2 1 28 LEU MD2 . . 5.200 4.532 3.883 4.828 . 0 0 "[ . 1 . 2]" 2
194 1 22 PHE HB3 1 27 TYR HB2 . . 4.170 2.736 2.243 4.159 . 0 0 "[ . 1 . 2]" 2
195 1 27 TYR QD 1 30 ILE MG . . 4.790 4.560 4.267 4.785 . 0 0 "[ . 1 . 2]" 2
196 1 33 ARG HA 1 33 ARG QD . . 4.270 3.623 2.000 4.347 0.077 19 0 "[ . 1 . 2]" 2
197 1 29 ILE MG 1 33 ARG QD . . 4.640 3.943 3.091 4.599 . 0 0 "[ . 1 . 2]" 2
198 1 30 ILE MG 1 33 ARG QD . . 4.870 3.123 2.228 4.680 . 0 0 "[ . 1 . 2]" 2
199 1 27 TYR HA 1 30 ILE MG . . 4.550 4.460 4.332 4.552 0.002 12 0 "[ . 1 . 2]" 2
200 1 26 SER HA 1 29 ILE MG . . 4.340 4.183 3.844 4.334 . 0 0 "[ . 1 . 2]" 2
201 1 29 ILE MG 1 32 MET HB2 . . 4.800 3.530 3.188 3.928 . 0 0 "[ . 1 . 2]" 2
202 1 17 GLU H 1 32 MET ME . . 4.550 3.766 3.213 4.549 . 0 0 "[ . 1 . 2]" 2
203 1 32 MET ME 1 35 HIS HD2 . . 3.830 3.088 1.870 3.830 0.000 19 0 "[ . 1 . 2]" 2
204 1 32 MET HA 1 32 MET ME . . 3.770 3.070 2.026 3.632 . 0 0 "[ . 1 . 2]" 2
205 1 32 MET ME 1 35 HIS HB3 . . 4.760 3.617 2.903 4.762 0.002 19 0 "[ . 1 . 2]" 2
206 1 17 GLU HG2 1 32 MET ME . . 5.370 3.290 2.094 4.987 . 0 0 "[ . 1 . 2]" 2
207 1 17 GLU HG3 1 32 MET ME . . 5.370 3.519 2.154 4.808 . 0 0 "[ . 1 . 2]" 2
208 1 28 LEU HG 1 32 MET ME . . 4.770 4.458 3.832 4.775 0.005 18 0 "[ . 1 . 2]" 2
209 1 17 GLU HB2 1 32 MET ME . . 4.560 2.996 2.072 3.454 . 0 0 "[ . 1 . 2]" 2
210 1 17 GLU HB3 1 32 MET ME . . 4.560 3.949 2.453 4.560 . 19 0 "[ . 1 . 2]" 2
211 1 28 LEU MD1 1 32 MET ME . . 3.750 3.413 2.635 3.753 0.003 18 0 "[ . 1 . 2]" 2
212 1 13 TYR HB3 1 28 LEU HB3 . . 4.370 3.423 3.003 3.893 . 0 0 "[ . 1 . 2]" 2
213 1 22 PHE HB2 1 28 LEU HB3 . . 4.830 4.121 3.472 4.696 . 0 0 "[ . 1 . 2]" 2
214 1 22 PHE HB2 1 28 LEU HB2 . . 4.120 2.818 2.223 3.234 . 0 0 "[ . 1 . 2]" 2
215 1 28 LEU HB3 1 28 LEU MD2 . . 3.400 2.247 2.132 2.348 . 0 0 "[ . 1 . 2]" 2
216 1 28 LEU HB2 1 28 LEU MD1 . . 3.570 2.324 2.216 2.403 . 0 0 "[ . 1 . 2]" 2
217 1 24 SER HB3 1 27 TYR H . . 4.680 3.840 2.461 4.640 . 0 0 "[ . 1 . 2]" 2
218 1 30 ILE MD 1 31 HIS H . . 4.890 4.526 4.296 4.861 . 0 0 "[ . 1 . 2]" 2
219 1 30 ILE H 1 30 ILE MD . . 3.810 3.281 3.043 3.462 . 0 0 "[ . 1 . 2]" 2
220 1 27 TYR HA 1 30 ILE MD . . 3.700 2.337 2.059 2.643 . 0 0 "[ . 1 . 2]" 2
221 1 29 ILE H 1 29 ILE MD . . 4.120 3.253 2.794 3.459 . 0 0 "[ . 1 . 2]" 2
222 1 26 SER HA 1 29 ILE MD . . 4.520 2.510 1.947 4.440 . 0 0 "[ . 1 . 2]" 2
223 1 29 ILE HA 1 29 ILE MD . . 4.220 3.502 1.941 3.898 . 0 0 "[ . 1 . 2]" 2
224 1 30 ILE HA 1 30 ILE MD . . 4.740 3.885 3.845 3.921 . 0 0 "[ . 1 . 2]" 2
225 1 25 LYS QE 1 29 ILE MD . . 4.070 2.938 1.927 4.060 . 0 0 "[ . 1 . 2]" 2
226 1 29 ILE HB 1 29 ILE MD . . 3.500 2.447 2.104 3.230 . 0 0 "[ . 1 . 2]" 2
227 1 25 LYS QD 1 29 ILE MD . . 3.230 2.588 1.803 3.217 . 0 0 "[ . 1 . 2]" 2
228 1 27 TYR HA 1 27 TYR QE . . 4.660 4.277 4.172 4.459 . 0 0 "[ . 1 . 2]" 2
229 1 13 TYR QE 1 25 LYS QE . . 5.310 3.930 2.188 5.282 . 0 0 "[ . 1 . 2]" 2
230 1 27 TYR QE 1 30 ILE MD . . 4.450 4.014 3.704 4.434 . 0 0 "[ . 1 . 2]" 2
231 1 13 TYR QE 1 24 SER HA . . 4.180 3.213 2.108 4.069 . 0 0 "[ . 1 . 2]" 2
232 1 13 TYR QE 1 25 LYS HA . . 4.900 3.787 3.011 4.364 . 0 0 "[ . 1 . 2]" 2
233 1 29 ILE HA 1 32 MET HG2 . . 4.340 3.634 2.636 4.332 . 0 0 "[ . 1 . 2]" 2
234 1 29 ILE HA 1 32 MET HG3 . . 4.340 3.348 2.453 4.325 . 0 0 "[ . 1 . 2]" 2
235 1 29 ILE HA 1 32 MET HB2 . . 3.640 2.634 2.314 2.930 . 0 0 "[ . 1 . 2]" 2
236 1 28 LEU HG 1 29 ILE HA . . 3.780 3.375 2.979 3.591 . 0 0 "[ . 1 . 2]" 2
237 1 13 TYR QE 1 25 LYS QD . . 4.790 3.879 2.306 4.786 . 0 0 "[ . 1 . 2]" 2
238 1 29 ILE HA 1 29 ILE HG12 . . 3.870 2.771 2.593 3.184 . 0 0 "[ . 1 . 2]" 2
239 1 29 ILE HA 1 29 ILE MG . . 3.290 2.398 2.299 2.464 . 0 0 "[ . 1 . 2]" 2
240 1 30 ILE HA 1 33 ARG QD . . 4.010 2.691 1.867 3.843 . 0 0 "[ . 1 . 2]" 2
241 1 30 ILE HA 1 30 ILE HG12 . . 3.550 2.711 2.573 2.836 . 0 0 "[ . 1 . 2]" 2
242 1 30 ILE HA 1 30 ILE MG . . 3.360 2.411 2.350 2.452 . 0 0 "[ . 1 . 2]" 2
243 1 30 ILE H 1 30 ILE HB . . 3.460 2.628 2.577 2.655 . 0 0 "[ . 1 . 2]" 2
244 1 13 TYR HB2 1 22 PHE H . . 4.780 3.483 2.318 4.034 . 0 0 "[ . 1 . 2]" 2
245 1 13 TYR HB2 1 28 LEU HB3 . . 4.860 4.644 4.336 4.858 . 0 0 "[ . 1 . 2]" 2
246 1 13 TYR HB3 1 28 LEU HG . . 4.790 4.692 4.114 4.799 0.009 18 0 "[ . 1 . 2]" 2
247 1 13 TYR HB3 1 28 LEU HB2 . . 4.290 2.972 2.515 3.949 . 0 0 "[ . 1 . 2]" 2
248 1 13 TYR HB2 1 28 LEU HB2 . . 4.430 3.762 3.200 4.173 . 0 0 "[ . 1 . 2]" 2
249 1 13 TYR HB2 1 28 LEU MD2 . . 3.800 3.465 2.990 3.789 . 0 0 "[ . 1 . 2]" 2
250 1 22 PHE HB3 1 27 TYR HB3 . . 4.170 2.301 2.006 2.683 . 0 0 "[ . 1 . 2]" 2
251 1 17 GLU H 1 17 GLU HG2 . . 4.770 3.830 2.110 4.770 0.000 16 0 "[ . 1 . 2]" 2
252 1 17 GLU H 1 17 GLU HG3 . . 4.770 4.192 2.723 4.767 . 0 0 "[ . 1 . 2]" 2
253 1 26 SER QB 1 30 ILE MD . . 4.410 3.110 2.552 4.107 . 0 0 "[ . 1 . 2]" 2
254 1 26 SER QB 1 29 ILE HB . . 4.740 4.345 4.009 4.614 . 0 0 "[ . 1 . 2]" 2
255 1 26 SER HA 1 29 ILE HB . . 3.720 2.919 2.428 3.172 . 0 0 "[ . 1 . 2]" 2
256 1 26 SER HA 1 29 ILE HG13 . . 4.550 3.331 2.975 3.720 . 0 0 "[ . 1 . 2]" 2
257 1 26 SER HA 1 29 ILE HG12 . . 4.550 4.194 2.687 4.550 . 0 0 "[ . 1 . 2]" 2
258 1 18 CYS HA 1 35 HIS HE1 . . 4.810 4.239 3.792 4.763 . 0 0 "[ . 1 . 2]" 2
259 1 20 LYS HB2 1 21 ALA H . . 4.640 4.199 3.344 4.544 . 0 0 "[ . 1 . 2]" 2
260 1 20 LYS HB3 1 21 ALA H . . 4.640 3.460 2.027 4.221 . 0 0 "[ . 1 . 2]" 2
261 1 20 LYS HB2 1 22 PHE HZ . . 4.850 4.097 3.316 4.838 . 0 0 "[ . 1 . 2]" 2
262 1 18 CYS HB3 1 35 HIS HE1 . . 3.820 2.126 2.000 2.419 . 0 0 "[ . 1 . 2]" 2
263 1 20 LYS QD 1 31 HIS HE1 . . 3.720 2.506 2.035 3.700 . 0 0 "[ . 1 . 2]" 2
264 1 27 TYR HA 1 30 ILE HB . . 3.690 3.241 3.099 3.378 . 0 0 "[ . 1 . 2]" 2
265 1 27 TYR HA 1 30 ILE HG13 . . 4.110 3.677 3.294 4.006 . 0 0 "[ . 1 . 2]" 2
266 1 27 TYR HA 1 30 ILE HG12 . . 5.020 4.847 4.549 5.015 . 0 0 "[ . 1 . 2]" 2
267 1 30 ILE MG 1 31 HIS HA . . 4.340 3.574 3.456 3.755 . 0 0 "[ . 1 . 2]" 2
268 1 18 CYS HB2 1 35 HIS HE1 . . 3.820 3.658 3.403 3.820 . 0 0 "[ . 1 . 2]" 2
269 1 33 ARG HA 1 35 HIS H . . 4.910 4.385 3.629 4.843 . 0 0 "[ . 1 . 2]" 2
270 1 13 TYR HB3 1 25 LYS HA . . 4.370 3.281 2.705 4.041 . 0 0 "[ . 1 . 2]" 2
271 1 32 MET HB2 1 33 ARG HA . . 5.130 4.494 4.297 4.728 . 0 0 "[ . 1 . 2]" 2
272 1 32 MET HB3 1 33 ARG HA . . 5.420 4.443 4.189 4.611 . 0 0 "[ . 1 . 2]" 2
273 1 25 LYS HA 1 28 LEU HB3 . . 3.540 2.866 2.347 3.245 . 0 0 "[ . 1 . 2]" 2
274 1 33 ARG HA 1 33 ARG HG2 . . 3.830 2.828 2.293 3.832 0.002 12 0 "[ . 1 . 2]" 2
275 1 33 ARG HA 1 33 ARG HG3 . . 3.830 3.372 2.967 3.841 0.011 14 0 "[ . 1 . 2]" 2
276 1 25 LYS HA 1 28 LEU HB2 . . 4.090 3.743 3.279 4.068 . 0 0 "[ . 1 . 2]" 2
277 1 25 LYS HA 1 25 LYS HG2 . . 4.000 2.906 2.266 3.899 . 0 0 "[ . 1 . 2]" 2
278 1 25 LYS HA 1 25 LYS HG3 . . 4.000 3.138 2.599 3.641 . 0 0 "[ . 1 . 2]" 2
279 1 25 LYS HA 1 28 LEU MD2 . . 4.250 3.371 2.969 3.823 . 0 0 "[ . 1 . 2]" 2
280 1 32 MET H 1 32 MET HG3 . . 4.070 3.552 2.393 3.969 . 0 0 "[ . 1 . 2]" 2
281 1 31 HIS HD2 1 32 MET HA . . 4.150 3.328 2.890 3.976 . 0 0 "[ . 1 . 2]" 2
282 1 31 HIS HD2 1 32 MET HG2 . . 5.000 3.330 2.886 3.723 . 0 0 "[ . 1 . 2]" 2
283 1 31 HIS HD2 1 32 MET HG3 . . 5.000 4.788 4.184 4.999 . 0 0 "[ . 1 . 2]" 2
284 1 32 MET HA 1 35 HIS HD2 . . 3.460 2.629 2.029 3.381 . 0 0 "[ . 1 . 2]" 2
285 1 32 MET HA 1 35 HIS HB2 . . 4.230 2.667 2.046 3.296 . 0 0 "[ . 1 . 2]" 2
286 1 28 LEU HG 1 32 MET HG2 . . 4.460 3.060 2.166 4.321 . 0 0 "[ . 1 . 2]" 2
287 1 28 LEU MD1 1 32 MET HG2 . . 4.060 2.773 2.096 3.355 . 0 0 "[ . 1 . 2]" 2
288 1 28 LEU MD1 1 32 MET HG3 . . 4.060 3.419 2.713 4.013 . 0 0 "[ . 1 . 2]" 2
289 1 28 LEU HA 1 32 MET H . . 4.850 4.339 4.094 4.734 . 0 0 "[ . 1 . 2]" 2
290 1 28 LEU HA 1 31 HIS H . . 4.280 3.575 3.418 3.738 . 0 0 "[ . 1 . 2]" 2
291 1 28 LEU HA 1 31 HIS HD2 . . 4.940 4.653 4.370 4.939 . 0 0 "[ . 1 . 2]" 2
292 1 22 PHE QE 1 28 LEU HA . . 4.690 2.986 2.709 3.214 . 0 0 "[ . 1 . 2]" 2
293 1 28 LEU HA 1 31 HIS HB3 . . 3.500 2.845 2.646 3.294 . 0 0 "[ . 1 . 2]" 2
294 1 28 LEU HA 1 28 LEU HG . . 4.050 3.246 3.114 3.387 . 0 0 "[ . 1 . 2]" 2
295 1 20 LYS HA 1 20 LYS HG2 . . 3.910 2.843 2.232 3.718 . 0 0 "[ . 1 . 2]" 2
296 1 20 LYS HA 1 20 LYS QD . . 4.440 3.718 2.116 4.138 . 0 0 "[ . 1 . 2]" 2
297 1 20 LYS HA 1 20 LYS HG3 . . 3.910 2.626 2.184 3.795 . 0 0 "[ . 1 . 2]" 2
298 1 32 MET H 1 32 MET HB3 . . 3.990 3.568 3.518 3.599 . 0 0 "[ . 1 . 2]" 2
299 1 32 MET HB3 1 33 ARG H . . 4.810 3.851 3.613 4.124 . 0 0 "[ . 1 . 2]" 2
300 1 29 ILE HA 1 32 MET HB3 . . 4.450 4.231 3.922 4.415 . 0 0 "[ . 1 . 2]" 2
301 1 15 CYS HB2 1 18 CYS H . . 5.090 4.868 4.669 4.958 . 0 0 "[ . 1 . 2]" 2
302 1 15 CYS HB3 1 18 CYS H . . 4.350 4.026 3.382 4.349 . 0 0 "[ . 1 . 2]" 2
303 1 15 CYS HB2 1 22 PHE QD . . 4.920 4.491 4.130 4.860 . 0 0 "[ . 1 . 2]" 2
304 1 15 CYS HB3 1 31 HIS HD2 . . 4.170 3.695 3.191 3.995 . 0 0 "[ . 1 . 2]" 2
305 1 15 CYS HB2 1 31 HIS HD2 . . 3.600 2.538 2.126 2.795 . 0 0 "[ . 1 . 2]" 2
306 1 15 CYS HB2 1 22 PHE QE . . 3.930 2.875 2.351 3.534 . 0 0 "[ . 1 . 2]" 2
307 1 15 CYS HB3 1 20 LYS HB2 . . 4.790 3.147 2.003 3.822 . 0 0 "[ . 1 . 2]" 2
308 1 15 CYS HB3 1 20 LYS HB3 . . 4.790 3.165 2.130 4.231 . 0 0 "[ . 1 . 2]" 2
309 1 15 CYS HB3 1 28 LEU MD1 . . 4.140 3.426 2.930 3.809 . 0 0 "[ . 1 . 2]" 2
310 1 29 ILE H 1 29 ILE HG13 . . 3.700 2.345 1.916 3.675 . 0 0 "[ . 1 . 2]" 2
311 1 29 ILE HA 1 29 ILE HG13 . . 3.870 2.991 2.631 3.780 . 0 0 "[ . 1 . 2]" 2
312 1 30 ILE HA 1 30 ILE HG13 . . 3.810 2.842 2.704 2.942 . 0 0 "[ . 1 . 2]" 2
313 1 17 GLU HG2 1 35 HIS HB3 . . 5.450 3.526 2.023 5.063 . 0 0 "[ . 1 . 2]" 2
314 1 17 GLU HG3 1 35 HIS HB3 . . 5.450 3.229 2.047 4.565 . 0 0 "[ . 1 . 2]" 2
315 1 17 GLU HG2 1 35 HIS HB2 . . 5.500 4.544 3.207 5.410 . 0 0 "[ . 1 . 2]" 2
316 1 17 GLU HG3 1 35 HIS HB2 . . 5.500 4.326 3.127 5.507 0.007 18 0 "[ . 1 . 2]" 2
317 1 32 MET HB3 1 35 HIS HB2 . . 4.920 3.826 3.214 4.491 . 0 0 "[ . 1 . 2]" 2
318 1 32 MET ME 1 35 HIS HB2 . . 5.230 3.189 2.021 3.965 . 0 0 "[ . 1 . 2]" 2
319 1 31 HIS HB2 1 32 MET H . . 4.370 3.968 3.876 4.156 . 0 0 "[ . 1 . 2]" 2
320 1 30 ILE H 1 31 HIS HB2 . . 5.500 5.396 5.157 5.506 0.006 18 0 "[ . 1 . 2]" 2
321 1 31 HIS HB2 1 33 ARG H . . 5.500 5.466 5.336 5.513 0.013 19 0 "[ . 1 . 2]" 2
322 1 31 HIS HB3 1 33 ARG H . . 5.500 4.803 4.696 4.947 . 0 0 "[ . 1 . 2]" 2
323 1 22 PHE QE 1 31 HIS HB2 . . 4.410 2.976 2.343 3.472 . 0 0 "[ . 1 . 2]" 2
324 1 28 LEU HA 1 31 HIS HB2 . . 3.990 3.827 3.656 3.989 . 0 0 "[ . 1 . 2]" 2
325 1 28 LEU MD1 1 31 HIS HB2 . . 4.530 4.407 4.199 4.523 . 0 0 "[ . 1 . 2]" 2
326 1 33 ARG H 1 33 ARG HG2 . . 3.880 2.854 1.893 3.567 . 0 0 "[ . 1 . 2]" 2
327 1 28 LEU H 1 28 LEU HG . . 4.600 4.362 4.067 4.500 . 0 0 "[ . 1 . 2]" 2
328 1 28 LEU HG 1 32 MET HG3 . . 4.460 3.170 2.203 3.958 . 0 0 "[ . 1 . 2]" 2
329 1 13 TYR HA 1 13 TYR QD . . 3.840 2.750 2.395 3.026 . 0 0 "[ . 1 . 2]" 2
330 1 12 PRO HA 1 13 TYR QD . . 5.500 5.350 5.097 5.495 . 0 0 "[ . 1 . 2]" 2
331 1 13 TYR QD 1 25 LYS HA . . 4.470 3.144 2.082 3.618 . 0 0 "[ . 1 . 2]" 2
332 1 13 TYR QD 1 28 LEU MD2 . . 3.760 3.028 2.133 3.283 . 0 0 "[ . 1 . 2]" 2
333 1 22 PHE QD 1 28 LEU MD2 . . 4.650 3.901 3.538 4.283 . 0 0 "[ . 1 . 2]" 2
334 1 13 TYR QE 1 28 LEU MD2 . . 5.500 4.779 3.899 5.056 . 0 0 "[ . 1 . 2]" 2
335 1 22 PHE QE 1 28 LEU MD2 . . 5.500 4.730 4.183 5.204 . 0 0 "[ . 1 . 2]" 2
336 1 13 TYR HA 1 28 LEU MD2 . . 4.660 2.835 1.947 3.467 . 0 0 "[ . 1 . 2]" 2
337 1 28 LEU HA 1 28 LEU MD2 . . 4.440 3.949 3.913 4.034 . 0 0 "[ . 1 . 2]" 2
338 1 13 TYR HB3 1 28 LEU MD2 . . 3.440 2.106 1.827 2.353 . 0 0 "[ . 1 . 2]" 2
339 1 20 LYS H 1 20 LYS HG3 . . 5.190 4.159 3.365 4.658 . 0 0 "[ . 1 . 2]" 2
340 1 20 LYS HG3 1 21 ALA H . . 5.120 3.852 2.400 4.992 . 0 0 "[ . 1 . 2]" 2
341 1 21 ALA HA 1 22 PHE QD . . 4.240 2.973 2.602 3.706 . 0 0 "[ . 1 . 2]" 2
342 1 22 PHE QD 1 28 LEU HB2 . . 4.160 2.565 2.033 3.095 . 0 0 "[ . 1 . 2]" 2
343 1 21 ALA MB 1 22 PHE QD . . 4.790 4.205 3.922 4.568 . 0 0 "[ . 1 . 2]" 2
344 1 22 PHE QD 1 28 LEU MD1 . . 3.480 2.382 2.087 2.635 . 0 0 "[ . 1 . 2]" 2
345 1 27 TYR HA 1 27 TYR QD . . 3.680 2.283 1.997 2.782 . 0 0 "[ . 1 . 2]" 2
346 1 27 TYR QD 1 30 ILE HB . . 4.670 4.010 3.411 4.351 . 0 0 "[ . 1 . 2]" 2
347 1 27 TYR QD 1 30 ILE MD . . 4.000 3.058 2.575 3.780 . 0 0 "[ . 1 . 2]" 2
348 1 13 TYR QD 1 22 PHE H . . 5.500 4.823 4.036 5.441 . 0 0 "[ . 1 . 2]" 2
349 1 22 PHE QD 1 28 LEU HB3 . . 5.000 4.218 3.750 4.691 . 0 0 "[ . 1 . 2]" 2
350 1 10 GLU H 1 10 GLU QB . . 3.660 2.630 2.145 3.202 . 0 0 "[ . 1 . 2]" 2
351 1 10 GLU H 1 10 GLU QG . . 4.560 2.915 2.105 4.189 . 0 0 "[ . 1 . 2]" 2
352 1 11 LYS H 1 12 PRO QD . . 4.820 4.132 2.163 4.378 . 0 0 "[ . 1 . 2]" 2
353 1 11 LYS HA 1 12 PRO QD . . 3.410 2.046 1.961 2.405 . 0 0 "[ . 1 . 2]" 2
354 1 11 LYS QB 1 12 PRO QD . . 3.740 2.462 1.980 3.757 0.017 13 0 "[ . 1 . 2]" 2
355 1 11 LYS QB 1 13 TYR H . . 4.370 2.769 2.183 3.791 . 0 0 "[ . 1 . 2]" 2
356 1 11 LYS QB 1 13 TYR HB2 . . 4.920 3.808 3.199 4.600 . 0 0 "[ . 1 . 2]" 2
357 1 11 LYS QB 1 13 TYR QD . . 4.000 3.263 1.966 3.979 . 0 0 "[ . 1 . 2]" 2
358 1 12 PRO QB 1 13 TYR H . . 3.740 3.304 2.918 3.728 . 0 0 "[ . 1 . 2]" 2
359 1 12 PRO QB 1 13 TYR QD . . 5.180 4.030 3.505 4.904 . 0 0 "[ . 1 . 2]" 2
360 1 12 PRO QG 1 13 TYR H . . 4.540 2.539 2.003 3.291 . 0 0 "[ . 1 . 2]" 2
361 1 12 PRO QG 1 13 TYR QD . . 4.350 3.051 2.386 3.959 . 0 0 "[ . 1 . 2]" 2
362 1 12 PRO QG 1 13 TYR QE . . 4.150 2.977 2.512 3.863 . 0 0 "[ . 1 . 2]" 2
363 1 12 PRO QD 1 13 TYR H . . 3.630 2.680 2.602 2.960 . 0 0 "[ . 1 . 2]" 2
364 1 12 PRO QD 1 13 TYR QD . . 3.820 3.335 2.675 3.819 . 0 0 "[ . 1 . 2]" 2
365 1 12 PRO QD 1 13 TYR QE . . 4.230 3.613 2.616 4.165 . 0 0 "[ . 1 . 2]" 2
366 1 13 TYR QD 1 25 LYS QB . . 5.340 3.401 2.910 3.898 . 0 0 "[ . 1 . 2]" 2
367 1 13 TYR QE 1 24 SER QB . . 5.340 4.790 3.842 5.310 . 0 0 "[ . 1 . 2]" 2
368 1 13 TYR QE 1 25 LYS QB . . 3.700 2.543 2.011 3.312 . 0 0 "[ . 1 . 2]" 2
369 1 13 TYR QE 1 25 LYS QG . . 4.180 3.074 1.990 4.052 . 0 0 "[ . 1 . 2]" 2
370 1 14 GLY QA 1 15 CYS H . . 3.080 2.146 2.110 2.299 . 0 0 "[ . 1 . 2]" 2
371 1 14 GLY QA 1 21 ALA HA . . 4.130 2.197 1.991 2.853 . 0 0 "[ . 1 . 2]" 2
372 1 14 GLY QA 1 21 ALA MB . . 4.210 2.897 2.456 3.308 . 0 0 "[ . 1 . 2]" 2
373 1 14 GLY QA 1 22 PHE H . . 4.520 3.487 3.034 4.239 . 0 0 "[ . 1 . 2]" 2
374 1 16 SER QB 1 17 GLU H . . 4.480 3.551 2.713 4.038 . 0 0 "[ . 1 . 2]" 2
375 1 17 GLU H 1 17 GLU QB . . 3.150 2.428 2.172 2.612 . 0 0 "[ . 1 . 2]" 2
376 1 17 GLU H 1 17 GLU QG . . 4.150 3.447 2.092 4.150 0.000 18 0 "[ . 1 . 2]" 2
377 1 17 GLU HA 1 17 GLU QG . . 3.730 2.599 2.293 2.923 . 0 0 "[ . 1 . 2]" 2
378 1 17 GLU QB 1 18 CYS H . . 3.260 2.440 2.226 2.804 . 0 0 "[ . 1 . 2]" 2
379 1 17 GLU QB 1 18 CYS QB . . 5.180 3.502 3.330 3.776 . 0 0 "[ . 1 . 2]" 2
380 1 17 GLU QB 1 19 GLY H . . 4.650 4.204 4.097 4.405 . 0 0 "[ . 1 . 2]" 2
381 1 17 GLU QB 1 32 MET ME . . 3.930 2.900 1.968 3.347 . 0 0 "[ . 1 . 2]" 2
382 1 17 GLU QB 1 35 HIS HD2 . . 4.220 3.112 2.610 3.774 . 0 0 "[ . 1 . 2]" 2
383 1 17 GLU QG 1 18 CYS H . . 4.720 4.044 3.036 4.474 . 0 0 "[ . 1 . 2]" 2
384 1 17 GLU QG 1 32 MET ME . . 4.600 2.909 1.994 4.001 . 0 0 "[ . 1 . 2]" 2
385 1 17 GLU QG 1 35 HIS HB3 . . 4.760 2.595 2.003 3.889 . 0 0 "[ . 1 . 2]" 2
386 1 18 CYS H 1 18 CYS QB . . 3.350 2.833 2.682 3.011 . 0 0 "[ . 1 . 2]" 2
387 1 18 CYS H 1 19 GLY QA . . 4.170 3.942 3.782 4.119 . 0 0 "[ . 1 . 2]" 2
388 1 18 CYS QB 1 19 GLY H . . 4.020 3.371 3.291 3.485 . 0 0 "[ . 1 . 2]" 2
389 1 18 CYS QB 1 35 HIS HE1 . . 3.270 2.112 1.987 2.392 . 0 0 "[ . 1 . 2]" 2
390 1 19 GLY H 1 20 LYS QB . . 4.730 3.695 3.524 3.906 . 0 0 "[ . 1 . 2]" 2
391 1 20 LYS H 1 20 LYS QB . . 3.190 2.503 2.286 2.615 . 0 0 "[ . 1 . 2]" 2
392 1 20 LYS H 1 20 LYS QG . . 4.540 3.795 2.803 4.167 . 0 0 "[ . 1 . 2]" 2
393 1 20 LYS HA 1 20 LYS QG . . 3.210 2.309 2.147 2.687 . 0 0 "[ . 1 . 2]" 2
394 1 20 LYS QB 1 21 ALA H . . 3.890 3.271 2.015 3.853 . 0 0 "[ . 1 . 2]" 2
395 1 20 LYS QB 1 22 PHE HZ . . 4.010 3.049 2.154 3.601 . 0 0 "[ . 1 . 2]" 2
396 1 20 LYS QB 1 31 HIS HE1 . . 4.550 3.515 2.782 4.399 . 0 0 "[ . 1 . 2]" 2
397 1 20 LYS QG 1 22 PHE QE . . 4.940 3.747 2.636 4.918 . 0 0 "[ . 1 . 2]" 2
398 1 20 LYS QG 1 31 HIS HE1 . . 4.540 4.116 2.796 4.541 0.001 14 0 "[ . 1 . 2]" 2
399 1 22 PHE QD 1 27 TYR QB . . 3.690 2.391 1.989 3.668 . 0 0 "[ . 1 . 2]" 2
400 1 24 SER H 1 24 SER QB . . 3.710 2.682 2.361 3.396 . 0 0 "[ . 1 . 2]" 2
401 1 24 SER H 1 27 TYR QB . . 3.590 2.882 2.426 3.580 . 0 0 "[ . 1 . 2]" 2
402 1 24 SER QB 1 25 LYS H . . 3.740 2.599 2.014 3.656 . 0 0 "[ . 1 . 2]" 2
403 1 24 SER QB 1 27 TYR QD . . 4.500 2.968 1.991 4.452 . 0 0 "[ . 1 . 2]" 2
404 1 25 LYS H 1 25 LYS QB . . 3.260 2.256 2.121 2.531 . 0 0 "[ . 1 . 2]" 2
405 1 25 LYS QB 1 29 ILE MD . . 4.760 3.714 1.957 4.751 . 0 0 "[ . 1 . 2]" 2
406 1 27 TYR H 1 27 TYR QB . . 3.130 2.226 2.126 2.357 . 0 0 "[ . 1 . 2]" 2
407 1 27 TYR QB 1 28 LEU H . . 3.750 2.573 2.152 2.910 . 0 0 "[ . 1 . 2]" 2
408 1 27 TYR QB 1 29 ILE H . . 5.340 4.742 4.628 4.947 . 0 0 "[ . 1 . 2]" 2
409 1 27 TYR QB 1 30 ILE MD . . 4.620 4.124 3.775 4.373 . 0 0 "[ . 1 . 2]" 2
410 1 28 LEU H 1 29 ILE QG . . 5.040 4.211 3.763 4.431 . 0 0 "[ . 1 . 2]" 2
411 1 28 LEU HG 1 32 MET QG . . 3.890 2.699 2.068 3.221 . 0 0 "[ . 1 . 2]" 2
412 1 29 ILE HA 1 29 ILE QG . . 3.270 2.542 2.406 2.999 . 0 0 "[ . 1 . 2]" 2
413 1 30 ILE HA 1 33 ARG QB . . 4.550 3.654 2.741 4.090 . 0 0 "[ . 1 . 2]" 2
414 1 30 ILE HA 1 33 ARG QG . . 3.480 2.535 2.005 3.456 . 0 0 "[ . 1 . 2]" 2
415 1 31 HIS HD2 1 32 MET QG . . 4.280 3.265 2.849 3.620 . 0 0 "[ . 1 . 2]" 2
416 1 32 MET H 1 32 MET QG . . 3.490 2.469 2.173 2.755 . 0 0 "[ . 1 . 2]" 2
417 1 32 MET H 1 33 ARG QB . . 5.340 4.728 4.316 4.946 . 0 0 "[ . 1 . 2]" 2
418 1 32 MET H 1 33 ARG QG . . 4.590 4.175 3.785 4.480 . 0 0 "[ . 1 . 2]" 2
419 1 32 MET HA 1 32 MET QG . . 3.700 2.669 2.304 3.011 . 0 0 "[ . 1 . 2]" 2
420 1 32 MET ME 1 32 MET QG . . 3.560 2.182 1.984 2.384 . 0 0 "[ . 1 . 2]" 2
421 1 33 ARG H 1 33 ARG QB . . 2.930 2.444 2.250 2.632 . 0 0 "[ . 1 . 2]" 2
422 1 33 ARG H 1 33 ARG QG . . 3.350 2.212 1.875 2.593 . 0 0 "[ . 1 . 2]" 2
423 1 33 ARG QB 1 34 THR H . . 4.030 2.874 2.591 3.673 . 0 0 "[ . 1 . 2]" 2
424 1 33 ARG QB 1 34 THR MG . . 4.650 3.736 3.005 4.653 0.003 14 0 "[ . 1 . 2]" 2
425 1 33 ARG QB 1 35 HIS H . . 5.340 4.822 4.470 5.343 0.003 14 0 "[ . 1 . 2]" 2
426 1 33 ARG QG 1 34 THR H . . 4.780 3.797 2.102 4.308 . 0 0 "[ . 1 . 2]" 2
427 1 38 GLU H 1 38 GLU QB . . 3.580 2.581 2.243 3.286 . 0 0 "[ . 1 . 2]" 2
428 1 38 GLU H 1 38 GLU QG . . 4.570 3.123 1.883 4.259 . 0 0 "[ . 1 . 2]" 2
429 1 38 GLU QB 1 39 LYS H . . 4.420 3.405 2.385 4.045 . 0 0 "[ . 1 . 2]" 2
430 1 39 LYS H 1 39 LYS QB . . 3.650 2.611 2.129 3.285 . 0 0 "[ . 1 . 2]" 2
431 1 39 LYS HA 1 40 PRO QD . . 3.300 2.036 1.952 2.283 . 0 0 "[ . 1 . 2]" 2
432 1 39 LYS QB 1 40 PRO QD . . 4.000 2.822 1.973 3.824 . 0 0 "[ . 1 . 2]" 2
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