NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
421787 |
2eof   |
10216 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eof
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 236
_Distance_constraint_stats_list.Viol_total 773.170
_Distance_constraint_stats_list.Viol_max 0.591
_Distance_constraint_stats_list.Viol_rms 0.1300
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1611
_Distance_constraint_stats_list.Viol_average_violations_only 0.1638
_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 17.574 0.399 18 0 "[ . 1 . 2]"
1 18 CYS 14.981 0.399 3 0 "[ . 1 . 2]"
1 31 HIS 13.155 0.591 16 3 "[ . 1 *+- 2]"
1 35 HIS 18.478 0.591 16 3 "[ . 1 *+- 2]"
2 1 ZN 13.129 0.247 14 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 2.348 2.252 2.388 0.198 14 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . . 3.250 3.289 3.249 3.425 0.175 5 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . . 2.190 2.301 2.205 2.390 0.200 16 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . . 3.250 3.401 3.290 3.497 0.247 14 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 1.900 2.020 1.902 2.090 0.190 10 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 1.900 1.977 1.900 2.079 0.179 14 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . . 3.560 3.711 3.566 3.930 0.370 1 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . . 3.320 3.576 3.365 3.719 0.399 18 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . . 3.320 3.595 3.417 3.719 0.399 19 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . . 3.320 3.343 3.320 3.402 0.082 14 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . . 3.320 3.633 3.452 3.719 0.399 3 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . . 3.000 3.259 3.000 3.591 0.591 16 3 "[ . 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 477
_Distance_constraint_stats_list.Viol_count 22
_Distance_constraint_stats_list.Viol_total 0.365
_Distance_constraint_stats_list.Viol_max 0.004
_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 0.0008
_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 0.004 0.002 19 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 6 0 "[ . 1 . 2]"
1 12 PRO 0.005 0.002 19 0 "[ . 1 . 2]"
1 13 TYR 0.003 0.001 12 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 CYS 0.000 0.000 6 0 "[ . 1 . 2]"
1 16 ASN 0.000 0.000 19 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 19 0 "[ . 1 . 2]"
1 19 GLN 0.000 0.000 6 0 "[ . 1 . 2]"
1 20 LYS 0.001 0.001 9 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 0.001 0.001 9 0 "[ . 1 . 2]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.001 0.001 1 0 "[ . 1 . 2]"
1 26 SER 0.002 0.001 7 0 "[ . 1 . 2]"
1 27 ASN 0.001 0.000 4 0 "[ . 1 . 2]"
1 28 LEU 0.000 0.000 4 0 "[ . 1 . 2]"
1 29 MET 0.008 0.004 18 0 "[ . 1 . 2]"
1 30 VAL 0.006 0.004 18 0 "[ . 1 . 2]"
1 31 HIS 0.000 0.000 8 0 "[ . 1 . 2]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ARG 0.001 0.001 8 0 "[ . 1 . 2]"
1 34 THR 0.000 0.000 8 0 "[ . 1 . 2]"
1 35 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 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 21 ALA H 1 22 PHE H . . 4.970 4.551 4.382 4.618 . 0 0 "[ . 1 . 2]" 2
2 1 20 LYS HA 1 21 ALA H . . 2.760 2.293 2.140 2.650 . 0 0 "[ . 1 . 2]" 2
3 1 20 LYS HB2 1 21 ALA H . . 4.440 4.039 3.441 4.408 . 0 0 "[ . 1 . 2]" 2
4 1 21 ALA H 1 21 ALA MB . . 3.070 2.247 2.067 2.564 . 0 0 "[ . 1 . 2]" 2
5 1 28 LEU H 1 29 MET H . . 3.130 2.785 2.559 2.956 . 0 0 "[ . 1 . 2]" 2
6 1 26 SER HA 1 28 LEU H . . 4.760 4.572 4.210 4.747 . 0 0 "[ . 1 . 2]" 2
7 1 25 LYS HA 1 28 LEU H . . 3.770 3.287 3.046 3.553 . 0 0 "[ . 1 . 2]" 2
8 1 27 ASN HB2 1 28 LEU H . . 3.840 3.055 2.364 3.794 . 0 0 "[ . 1 . 2]" 2
9 1 28 LEU H 1 28 LEU HB3 . . 3.000 2.308 2.230 2.358 . 0 0 "[ . 1 . 2]" 2
10 1 28 LEU H 1 28 LEU HG . . 4.390 4.331 4.243 4.380 . 0 0 "[ . 1 . 2]" 2
11 1 28 LEU H 1 28 LEU HB2 . . 3.210 2.727 2.658 2.818 . 0 0 "[ . 1 . 2]" 2
12 1 28 LEU H 1 28 LEU MD1 . . 4.630 4.196 4.135 4.262 . 0 0 "[ . 1 . 2]" 2
13 1 28 LEU H 1 28 LEU MD2 . . 4.960 4.167 4.121 4.235 . 0 0 "[ . 1 . 2]" 2
14 1 24 THR HB 1 26 SER H . . 4.540 3.159 2.831 3.388 . 0 0 "[ . 1 . 2]" 2
15 1 11 LYS H 1 12 PRO QD . . 4.570 4.343 4.261 4.377 . 0 0 "[ . 1 . 2]" 2
16 1 10 GLU HA 1 11 LYS H . . 3.110 2.422 2.138 2.824 . 0 0 "[ . 1 . 2]" 2
17 1 10 GLU HB2 1 11 LYS H . . 4.570 4.095 2.431 4.570 0.000 6 0 "[ . 1 . 2]" 2
18 1 10 GLU HB3 1 11 LYS H . . 4.570 3.890 3.103 4.453 . 0 0 "[ . 1 . 2]" 2
19 1 11 LYS H 1 21 ALA MB . . 5.190 3.308 2.564 4.121 . 0 0 "[ . 1 . 2]" 2
20 1 20 LYS H 1 21 ALA H . . 4.710 4.457 4.338 4.570 . 0 0 "[ . 1 . 2]" 2
21 1 20 LYS H 1 20 LYS QD . . 5.330 4.415 3.885 4.739 . 0 0 "[ . 1 . 2]" 2
22 1 20 LYS H 1 20 LYS HB2 . . 4.120 2.606 2.243 2.940 . 0 0 "[ . 1 . 2]" 2
23 1 23 ASN HD22 1 24 THR MG . . 5.120 3.463 2.407 5.096 . 0 0 "[ . 1 . 2]" 2
24 1 15 CYS HB3 1 17 GLU H . . 4.890 3.415 2.780 4.159 . 0 0 "[ . 1 . 2]" 2
25 1 17 GLU H 1 17 GLU HB3 . . 3.790 3.416 2.618 3.780 . 0 0 "[ . 1 . 2]" 2
26 1 15 CYS HA 1 17 GLU H . . 4.820 4.261 3.649 4.805 . 0 0 "[ . 1 . 2]" 2
27 1 16 ASN QB 1 17 GLU H . . 4.280 3.082 2.307 4.014 . 0 0 "[ . 1 . 2]" 2
28 1 17 GLU H 1 17 GLU HG3 . . 4.700 3.869 3.173 4.631 . 0 0 "[ . 1 . 2]" 2
29 1 17 GLU H 1 17 GLU HB2 . . 3.790 2.423 2.182 2.653 . 0 0 "[ . 1 . 2]" 2
30 1 28 LEU MD1 1 32 GLN HE22 . . 4.300 3.752 3.263 4.293 . 0 0 "[ . 1 . 2]" 2
31 1 28 LEU MD2 1 32 GLN HE22 . . 4.670 3.457 2.556 4.667 . 0 0 "[ . 1 . 2]" 2
32 1 28 LEU MD1 1 32 GLN HE21 . . 4.300 2.579 1.870 3.461 . 0 0 "[ . 1 . 2]" 2
33 1 28 LEU MD2 1 32 GLN HE21 . . 4.670 3.062 2.094 4.172 . 0 0 "[ . 1 . 2]" 2
34 1 38 GLU H 1 38 GLU QG . . 4.750 3.496 2.075 4.173 . 0 0 "[ . 1 . 2]" 2
35 1 36 THR H 1 37 GLY H . . 4.640 3.788 2.384 4.609 . 0 0 "[ . 1 . 2]" 2
36 1 35 HIS HB3 1 36 THR H . . 4.720 3.083 2.755 3.426 . 0 0 "[ . 1 . 2]" 2
37 1 35 HIS HB2 1 36 THR H . . 4.360 2.493 2.098 2.774 . 0 0 "[ . 1 . 2]" 2
38 1 36 THR H 1 36 THR MG . . 4.000 2.207 1.894 2.611 . 0 0 "[ . 1 . 2]" 2
39 1 10 GLU H 1 10 GLU QG . . 4.450 3.194 2.047 4.262 . 0 0 "[ . 1 . 2]" 2
40 1 28 LEU HA 1 32 GLN H . . 4.460 4.035 3.689 4.432 . 0 0 "[ . 1 . 2]" 2
41 1 31 HIS HD2 1 32 GLN H . . 4.190 3.419 2.648 4.183 . 0 0 "[ . 1 . 2]" 2
42 1 29 MET HA 1 32 GLN H . . 4.080 3.790 3.567 4.029 . 0 0 "[ . 1 . 2]" 2
43 1 31 HIS HB3 1 32 GLN H . . 3.490 2.766 2.309 3.300 . 0 0 "[ . 1 . 2]" 2
44 1 32 GLN H 1 32 GLN HG3 . . 3.600 2.389 1.994 3.423 . 0 0 "[ . 1 . 2]" 2
45 1 32 GLN H 1 32 GLN HB2 . . 3.260 2.524 2.372 2.703 . 0 0 "[ . 1 . 2]" 2
46 1 32 GLN H 1 32 GLN HB3 . . 3.780 3.607 3.581 3.624 . 0 0 "[ . 1 . 2]" 2
47 1 28 LEU MD1 1 32 GLN H . . 4.270 3.620 3.053 4.230 . 0 0 "[ . 1 . 2]" 2
48 1 27 ASN HA 1 30 VAL H . . 3.950 3.888 3.772 3.947 . 0 0 "[ . 1 . 2]" 2
49 1 26 SER HA 1 30 VAL H . . 4.810 4.155 3.843 4.327 . 0 0 "[ . 1 . 2]" 2
50 1 29 MET QB 1 30 VAL H . . 3.370 2.575 2.219 3.374 0.004 18 0 "[ . 1 . 2]" 2
51 1 30 VAL H 1 30 VAL HB . . 2.970 2.530 2.440 2.668 . 0 0 "[ . 1 . 2]" 2
52 1 30 VAL H 1 30 VAL MG2 . . 2.980 2.211 1.969 2.515 . 0 0 "[ . 1 . 2]" 2
53 1 30 VAL H 1 30 VAL MG1 . . 3.870 3.762 3.753 3.765 . 0 0 "[ . 1 . 2]" 2
54 1 31 HIS H 1 31 HIS HD2 . . 5.500 4.723 4.572 5.015 . 0 0 "[ . 1 . 2]" 2
55 1 31 HIS H 1 34 THR MG . . 4.870 4.568 4.005 4.870 0.000 8 0 "[ . 1 . 2]" 2
56 1 30 VAL H 1 32 GLN H . . 4.980 4.316 3.869 4.750 . 0 0 "[ . 1 . 2]" 2
57 1 29 MET H 1 30 VAL H . . 3.350 2.973 2.832 3.069 . 0 0 "[ . 1 . 2]" 2
58 1 30 VAL H 1 31 HIS HB3 . . 4.730 4.599 4.372 4.729 . 0 0 "[ . 1 . 2]" 2
59 1 27 ASN HA 1 31 HIS H . . 4.510 4.252 3.921 4.496 . 0 0 "[ . 1 . 2]" 2
60 1 31 HIS H 1 32 GLN H . . 3.360 2.722 2.466 2.950 . 0 0 "[ . 1 . 2]" 2
61 1 28 LEU HA 1 31 HIS H . . 3.830 3.346 3.060 3.590 . 0 0 "[ . 1 . 2]" 2
62 1 31 HIS H 1 31 HIS HB3 . . 2.910 2.264 2.215 2.376 . 0 0 "[ . 1 . 2]" 2
63 1 31 HIS H 1 31 HIS HB2 . . 3.120 2.849 2.709 2.951 . 0 0 "[ . 1 . 2]" 2
64 1 30 VAL HB 1 31 HIS H . . 3.260 2.723 2.392 2.958 . 0 0 "[ . 1 . 2]" 2
65 1 30 VAL MG2 1 31 HIS H . . 4.020 3.878 3.770 4.020 . 0 0 "[ . 1 . 2]" 2
66 1 30 VAL MG1 1 31 HIS H . . 3.910 3.545 3.265 3.805 . 0 0 "[ . 1 . 2]" 2
67 1 29 MET QB 1 31 HIS H . . 5.090 4.612 4.317 5.090 . 0 0 "[ . 1 . 2]" 2
68 1 29 MET H 1 31 HIS H . . 4.630 4.131 3.919 4.421 . 0 0 "[ . 1 . 2]" 2
69 1 26 SER HB2 1 27 ASN H . . 4.410 3.518 2.281 4.109 . 0 0 "[ . 1 . 2]" 2
70 1 26 SER HB3 1 27 ASN H . . 4.410 2.997 2.253 4.107 . 0 0 "[ . 1 . 2]" 2
71 1 27 ASN H 1 27 ASN HB2 . . 3.730 2.317 2.185 2.606 . 0 0 "[ . 1 . 2]" 2
72 1 27 ASN H 1 27 ASN HB3 . . 3.730 3.236 2.598 3.593 . 0 0 "[ . 1 . 2]" 2
73 1 24 THR MG 1 27 ASN H . . 4.870 4.550 4.370 4.727 . 0 0 "[ . 1 . 2]" 2
74 1 27 ASN H 1 28 LEU HA . . 5.470 5.316 5.113 5.470 0.000 4 0 "[ . 1 . 2]" 2
75 1 29 MET H 1 29 MET HG3 . . 3.790 3.146 2.107 3.749 . 0 0 "[ . 1 . 2]" 2
76 1 29 MET H 1 29 MET HG2 . . 3.790 2.583 1.916 3.549 . 0 0 "[ . 1 . 2]" 2
77 1 29 MET H 1 29 MET QB . . 2.940 2.422 2.237 2.620 . 0 0 "[ . 1 . 2]" 2
78 1 28 LEU HG 1 29 MET H . . 4.030 3.114 2.850 3.365 . 0 0 "[ . 1 . 2]" 2
79 1 28 LEU MD2 1 29 MET H . . 4.020 3.802 3.587 4.012 . 0 0 "[ . 1 . 2]" 2
80 1 26 SER HA 1 29 MET H . . 4.100 3.759 3.483 3.934 . 0 0 "[ . 1 . 2]" 2
81 1 25 LYS HA 1 29 MET H . . 4.330 3.904 3.566 4.260 . 0 0 "[ . 1 . 2]" 2
82 1 28 LEU HB2 1 29 MET H . . 4.040 3.856 3.742 4.002 . 0 0 "[ . 1 . 2]" 2
83 1 35 HIS H 1 35 HIS HD2 . . 4.090 3.722 3.313 4.085 . 0 0 "[ . 1 . 2]" 2
84 1 32 GLN HA 1 35 HIS H . . 4.060 3.757 3.564 3.965 . 0 0 "[ . 1 . 2]" 2
85 1 35 HIS H 1 35 HIS HB3 . . 3.690 3.573 3.497 3.604 . 0 0 "[ . 1 . 2]" 2
86 1 35 HIS H 1 35 HIS HB2 . . 3.190 2.356 2.197 2.492 . 0 0 "[ . 1 . 2]" 2
87 1 34 THR MG 1 35 HIS H . . 4.340 3.332 1.912 4.041 . 0 0 "[ . 1 . 2]" 2
88 1 34 THR HB 1 35 HIS H . . 4.560 3.679 3.356 4.092 . 0 0 "[ . 1 . 2]" 2
89 1 13 TYR H 1 14 GLU H . . 4.670 4.323 4.080 4.481 . 0 0 "[ . 1 . 2]" 2
90 1 13 TYR H 1 13 TYR QD . . 3.380 2.901 2.654 3.155 . 0 0 "[ . 1 . 2]" 2
91 1 12 PRO HA 1 13 TYR H . . 3.400 3.384 3.331 3.401 0.001 12 0 "[ . 1 . 2]" 2
92 1 12 PRO QD 1 13 TYR H . . 3.650 2.783 2.751 2.883 . 0 0 "[ . 1 . 2]" 2
93 1 13 TYR H 1 13 TYR HB3 . . 3.870 3.794 3.760 3.831 . 0 0 "[ . 1 . 2]" 2
94 1 13 TYR H 1 13 TYR HB2 . . 3.140 2.758 2.679 2.889 . 0 0 "[ . 1 . 2]" 2
95 1 13 TYR H 1 14 GLU QG . . 5.330 4.295 3.697 5.047 . 0 0 "[ . 1 . 2]" 2
96 1 12 PRO HG3 1 13 TYR H . . 4.620 4.391 4.340 4.536 . 0 0 "[ . 1 . 2]" 2
97 1 12 PRO HB2 1 13 TYR H . . 4.080 3.799 3.760 3.908 . 0 0 "[ . 1 . 2]" 2
98 1 13 TYR H 1 21 ALA MB . . 5.500 4.379 3.983 4.851 . 0 0 "[ . 1 . 2]" 2
99 1 13 TYR H 1 28 LEU MD2 . . 5.340 5.082 4.751 5.340 . 0 0 "[ . 1 . 2]" 2
100 1 13 TYR H 1 13 TYR QE . . 4.770 4.602 4.330 4.761 . 0 0 "[ . 1 . 2]" 2
101 1 12 PRO HG2 1 13 TYR H . . 4.620 3.049 2.982 3.241 . 0 0 "[ . 1 . 2]" 2
102 1 34 THR H 1 34 THR HB . . 3.870 3.260 2.337 3.640 . 0 0 "[ . 1 . 2]" 2
103 1 32 GLN HA 1 34 THR H . . 4.750 4.541 4.206 4.741 . 0 0 "[ . 1 . 2]" 2
104 1 33 ARG HB2 1 34 THR H . . 4.480 2.882 2.346 3.818 . 0 0 "[ . 1 . 2]" 2
105 1 33 ARG HB3 1 34 THR H . . 4.480 3.567 3.105 3.998 . 0 0 "[ . 1 . 2]" 2
106 1 34 THR H 1 34 THR MG . . 3.250 2.287 2.081 2.614 . 0 0 "[ . 1 . 2]" 2
107 1 33 ARG H 1 33 ARG QD . . 4.330 3.683 1.748 4.329 . 0 0 "[ . 1 . 2]" 2
108 1 32 GLN H 1 33 ARG H . . 3.310 2.802 2.408 3.068 . 0 0 "[ . 1 . 2]" 2
109 1 33 ARG H 1 34 THR H . . 3.290 2.754 2.464 3.049 . 0 0 "[ . 1 . 2]" 2
110 1 30 VAL HA 1 33 ARG H . . 4.320 3.692 3.243 3.941 . 0 0 "[ . 1 . 2]" 2
111 1 32 GLN HB2 1 33 ARG H . . 3.870 2.630 2.193 3.188 . 0 0 "[ . 1 . 2]" 2
112 1 32 GLN HB3 1 33 ARG H . . 4.160 3.581 3.154 4.074 . 0 0 "[ . 1 . 2]" 2
113 1 33 ARG H 1 33 ARG HG3 . . 3.740 2.784 2.075 3.572 . 0 0 "[ . 1 . 2]" 2
114 1 15 CYS H 1 22 PHE QD . . 4.540 3.636 3.308 4.047 . 0 0 "[ . 1 . 2]" 2
115 1 15 CYS H 1 20 LYS H . . 4.420 2.700 2.451 3.044 . 0 0 "[ . 1 . 2]" 2
116 1 15 CYS H 1 21 ALA HA . . 3.770 3.697 3.535 3.766 . 0 0 "[ . 1 . 2]" 2
117 1 14 GLU HB3 1 15 CYS H . . 3.940 3.210 2.706 3.610 . 0 0 "[ . 1 . 2]" 2
118 1 15 CYS H 1 22 PHE QE . . 4.220 3.495 2.798 4.085 . 0 0 "[ . 1 . 2]" 2
119 1 15 CYS H 1 19 GLN HA . . 4.690 3.468 3.130 3.992 . 0 0 "[ . 1 . 2]" 2
120 1 15 CYS H 1 15 CYS HB3 . . 3.120 2.876 2.780 2.947 . 0 0 "[ . 1 . 2]" 2
121 1 15 CYS H 1 15 CYS HB2 . . 3.200 2.262 2.181 2.469 . 0 0 "[ . 1 . 2]" 2
122 1 14 GLU QG 1 15 CYS H . . 3.980 3.674 3.326 3.971 . 0 0 "[ . 1 . 2]" 2
123 1 15 CYS H 1 21 ALA MB . . 5.060 4.879 4.669 5.007 . 0 0 "[ . 1 . 2]" 2
124 1 15 CYS H 1 28 LEU MD1 . . 4.010 3.071 2.609 3.672 . 0 0 "[ . 1 . 2]" 2
125 1 22 PHE H 1 22 PHE QD . . 3.170 2.758 2.592 2.878 . 0 0 "[ . 1 . 2]" 2
126 1 22 PHE H 1 22 PHE QE . . 5.020 4.965 4.787 5.019 . 0 0 "[ . 1 . 2]" 2
127 1 21 ALA HA 1 22 PHE H . . 2.810 2.246 2.191 2.313 . 0 0 "[ . 1 . 2]" 2
128 1 22 PHE H 1 22 PHE HB3 . . 3.830 3.786 3.716 3.830 0.000 19 0 "[ . 1 . 2]" 2
129 1 22 PHE H 1 22 PHE HB2 . . 3.250 2.656 2.540 2.735 . 0 0 "[ . 1 . 2]" 2
130 1 14 GLU QG 1 22 PHE H . . 4.630 4.126 3.644 4.587 . 0 0 "[ . 1 . 2]" 2
131 1 22 PHE H 1 28 LEU HB2 . . 5.500 4.634 4.382 4.864 . 0 0 "[ . 1 . 2]" 2
132 1 21 ALA MB 1 22 PHE H . . 3.310 2.792 2.609 2.981 . 0 0 "[ . 1 . 2]" 2
133 1 22 PHE H 1 28 LEU MD2 . . 5.500 4.639 4.441 4.941 . 0 0 "[ . 1 . 2]" 2
134 1 13 TYR HB3 1 22 PHE H . . 4.300 4.025 3.633 4.294 . 0 0 "[ . 1 . 2]" 2
135 1 16 ASN HA 1 18 CYS H . . 5.020 4.938 4.615 5.020 0.000 19 0 "[ . 1 . 2]" 2
136 1 17 GLU HG2 1 18 CYS H . . 5.120 4.661 4.324 5.028 . 0 0 "[ . 1 . 2]" 2
137 1 15 CYS H 1 19 GLN H . . 4.950 4.369 4.020 4.607 . 0 0 "[ . 1 . 2]" 2
138 1 17 GLU HG3 1 18 CYS H . . 5.120 4.566 3.733 4.932 . 0 0 "[ . 1 . 2]" 2
139 1 17 GLU H 1 18 CYS H . . 3.090 2.434 1.932 2.869 . 0 0 "[ . 1 . 2]" 2
140 1 18 CYS H 1 19 GLN HA . . 4.630 4.378 4.103 4.503 . 0 0 "[ . 1 . 2]" 2
141 1 15 CYS HB3 1 18 CYS H . . 3.720 2.773 2.338 3.202 . 0 0 "[ . 1 . 2]" 2
142 1 18 CYS H 1 18 CYS HB3 . . 4.130 2.784 2.600 3.101 . 0 0 "[ . 1 . 2]" 2
143 1 18 CYS H 1 18 CYS HB2 . . 4.130 3.692 3.655 3.791 . 0 0 "[ . 1 . 2]" 2
144 1 17 GLU HB2 1 18 CYS H . . 3.660 2.745 2.382 3.621 . 0 0 "[ . 1 . 2]" 2
145 1 17 GLU HB3 1 18 CYS H . . 3.660 3.025 2.195 3.576 . 0 0 "[ . 1 . 2]" 2
146 1 17 GLU H 1 19 GLN H . . 4.360 3.112 2.496 3.642 . 0 0 "[ . 1 . 2]" 2
147 1 19 GLN H 1 19 GLN HA . . 2.720 2.275 2.273 2.278 . 0 0 "[ . 1 . 2]" 2
148 1 15 CYS HB3 1 19 GLN H . . 3.720 2.109 1.901 2.353 . 0 0 "[ . 1 . 2]" 2
149 1 18 CYS HB2 1 19 GLN H . . 4.430 4.199 4.105 4.307 . 0 0 "[ . 1 . 2]" 2
150 1 19 GLN H 1 19 GLN HG2 . . 4.630 3.440 2.763 4.539 . 0 0 "[ . 1 . 2]" 2
151 1 16 ASN HA 1 19 GLN H . . 4.860 3.937 3.787 4.145 . 0 0 "[ . 1 . 2]" 2
152 1 14 GLU H 1 15 CYS H . . 4.810 4.251 4.019 4.471 . 0 0 "[ . 1 . 2]" 2
153 1 13 TYR QD 1 14 GLU H . . 4.600 4.376 4.198 4.560 . 0 0 "[ . 1 . 2]" 2
154 1 13 TYR HA 1 14 GLU H . . 2.790 2.158 2.138 2.224 . 0 0 "[ . 1 . 2]" 2
155 1 13 TYR HB3 1 14 GLU H . . 4.120 3.352 2.949 3.781 . 0 0 "[ . 1 . 2]" 2
156 1 13 TYR HB2 1 14 GLU H . . 4.780 4.094 3.861 4.323 . 0 0 "[ . 1 . 2]" 2
157 1 14 GLU H 1 14 GLU QG . . 4.330 3.708 3.437 4.098 . 0 0 "[ . 1 . 2]" 2
158 1 14 GLU H 1 14 GLU HB2 . . 3.330 2.692 2.494 2.834 . 0 0 "[ . 1 . 2]" 2
159 1 14 GLU H 1 28 LEU MD2 . . 4.050 2.814 2.327 3.256 . 0 0 "[ . 1 . 2]" 2
160 1 13 TYR QD 1 25 LYS H . . 4.510 4.258 3.912 4.509 . 0 0 "[ . 1 . 2]" 2
161 1 13 TYR QE 1 25 LYS H . . 4.010 3.524 3.224 3.920 . 0 0 "[ . 1 . 2]" 2
162 1 25 LYS H 1 25 LYS HB2 . . 3.320 2.517 2.241 2.747 . 0 0 "[ . 1 . 2]" 2
163 1 24 THR HB 1 25 LYS H . . 3.260 2.405 2.124 2.809 . 0 0 "[ . 1 . 2]" 2
164 1 25 LYS H 1 25 LYS HB3 . . 3.320 2.574 2.360 2.846 . 0 0 "[ . 1 . 2]" 2
165 1 23 ASN HD21 1 24 THR H . . 5.500 3.601 2.204 4.702 . 0 0 "[ . 1 . 2]" 2
166 1 24 THR H 1 27 ASN H . . 5.390 4.366 3.750 4.728 . 0 0 "[ . 1 . 2]" 2
167 1 23 ASN HD22 1 24 THR H . . 5.500 4.041 2.489 5.302 . 0 0 "[ . 1 . 2]" 2
168 1 24 THR H 1 24 THR HB . . 4.160 3.769 3.720 3.862 . 0 0 "[ . 1 . 2]" 2
169 1 22 PHE HB3 1 24 THR H . . 3.420 3.059 2.886 3.256 . 0 0 "[ . 1 . 2]" 2
170 1 22 PHE HB2 1 24 THR H . . 4.260 4.151 3.919 4.258 . 0 0 "[ . 1 . 2]" 2
171 1 24 THR H 1 24 THR MG . . 3.600 2.844 2.516 2.989 . 0 0 "[ . 1 . 2]" 2
172 1 24 THR H 1 25 LYS H . . 4.740 4.489 4.446 4.549 . 0 0 "[ . 1 . 2]" 2
173 1 11 LYS H 1 11 LYS QD . . 4.600 3.585 1.930 4.496 . 0 0 "[ . 1 . 2]" 2
174 1 16 ASN H 1 17 GLU H . . 4.320 2.273 1.805 2.867 . 0 0 "[ . 1 . 2]" 2
175 1 18 CYS H 1 19 GLN H . . 2.860 2.140 1.892 2.245 . 0 0 "[ . 1 . 2]" 2
176 1 19 GLN H 1 20 LYS H . . 4.060 2.750 2.646 2.905 . 0 0 "[ . 1 . 2]" 2
177 1 13 TYR H 1 22 PHE H . . 4.040 3.901 3.603 4.036 . 0 0 "[ . 1 . 2]" 2
178 1 23 ASN HD21 1 24 THR MG . . 5.120 3.103 1.955 5.019 . 0 0 "[ . 1 . 2]" 2
179 1 27 ASN H 1 28 LEU H . . 3.390 2.722 2.458 2.922 . 0 0 "[ . 1 . 2]" 2
180 1 28 LEU HB3 1 29 MET H . . 3.070 2.444 2.278 2.669 . 0 0 "[ . 1 . 2]" 2
181 1 30 VAL H 1 31 HIS H . . 3.200 2.632 2.416 2.801 . 0 0 "[ . 1 . 2]" 2
182 1 32 GLN H 1 32 GLN HG2 . . 3.600 3.222 2.444 3.584 . 0 0 "[ . 1 . 2]" 2
183 1 32 GLN H 1 34 THR H . . 5.170 4.352 3.730 4.718 . 0 0 "[ . 1 . 2]" 2
184 1 31 HIS HA 1 34 THR H . . 4.070 3.522 3.192 3.787 . 0 0 "[ . 1 . 2]" 2
185 1 34 THR H 1 35 HIS H . . 3.210 2.907 2.645 3.106 . 0 0 "[ . 1 . 2]" 2
186 1 35 HIS H 1 36 THR H . . 3.520 3.002 2.703 3.236 . 0 0 "[ . 1 . 2]" 2
187 1 15 CYS HB2 1 19 GLN H . . 4.040 3.829 3.616 4.040 0.000 6 0 "[ . 1 . 2]" 2
188 1 15 CYS HB3 1 20 LYS H . . 3.620 1.972 1.900 2.173 . 0 0 "[ . 1 . 2]" 2
189 1 15 CYS HB3 1 19 GLN HA . . 4.820 2.968 2.658 3.436 . 0 0 "[ . 1 . 2]" 2
190 1 15 CYS HB3 1 28 LEU MD1 . . 4.130 3.928 3.616 4.124 . 0 0 "[ . 1 . 2]" 2
191 1 15 CYS HB2 1 20 LYS H . . 4.170 2.406 2.135 2.782 . 0 0 "[ . 1 . 2]" 2
192 1 15 CYS HB2 1 22 PHE QE . . 3.250 2.443 2.083 2.954 . 0 0 "[ . 1 . 2]" 2
193 1 15 CYS HB2 1 28 LEU MD1 . . 3.480 2.755 2.449 3.026 . 0 0 "[ . 1 . 2]" 2
194 1 20 LYS QD 1 21 ALA H . . 4.970 4.614 3.902 4.969 . 0 0 "[ . 1 . 2]" 2
195 1 20 LYS HA 1 20 LYS QD . . 4.310 3.973 3.716 4.219 . 0 0 "[ . 1 . 2]" 2
196 1 24 THR HB 1 26 SER HB2 . . 5.500 4.488 3.538 5.408 . 0 0 "[ . 1 . 2]" 2
197 1 24 THR HB 1 26 SER HB3 . . 5.500 4.270 3.478 5.313 . 0 0 "[ . 1 . 2]" 2
198 1 11 LYS HA 1 12 PRO QD . . 2.850 2.029 2.008 2.093 . 0 0 "[ . 1 . 2]" 2
199 1 11 LYS HB3 1 12 PRO QD . . 4.410 2.337 2.014 2.579 . 0 0 "[ . 1 . 2]" 2
200 1 11 LYS QD 1 12 PRO QD . . 4.560 3.425 1.971 4.395 . 0 0 "[ . 1 . 2]" 2
201 1 11 LYS HG3 1 12 PRO QD . . 4.420 3.696 2.475 4.408 . 0 0 "[ . 1 . 2]" 2
202 1 11 LYS HG2 1 12 PRO QD . . 4.420 3.635 2.670 4.250 . 0 0 "[ . 1 . 2]" 2
203 1 29 MET HA 1 32 GLN HB2 . . 3.870 3.264 2.931 3.509 . 0 0 "[ . 1 . 2]" 2
204 1 28 LEU MD1 1 32 GLN HB3 . . 5.020 4.721 4.349 5.010 . 0 0 "[ . 1 . 2]" 2
205 1 29 MET HA 1 32 GLN HB3 . . 5.030 4.739 4.460 4.934 . 0 0 "[ . 1 . 2]" 2
206 1 32 GLN HB3 1 33 ARG HA . . 5.290 4.361 4.178 4.596 . 0 0 "[ . 1 . 2]" 2
207 1 31 HIS HB3 1 31 HIS HD2 . . 3.870 2.749 2.691 2.824 . 0 0 "[ . 1 . 2]" 2
208 1 31 HIS HB2 1 32 GLN H . . 4.380 4.032 3.765 4.349 . 0 0 "[ . 1 . 2]" 2
209 1 22 PHE QD 1 31 HIS HB2 . . 4.900 4.411 4.094 4.565 . 0 0 "[ . 1 . 2]" 2
210 1 22 PHE QE 1 31 HIS HB2 . . 3.930 2.743 2.167 3.121 . 0 0 "[ . 1 . 2]" 2
211 1 28 LEU MD1 1 31 HIS HB2 . . 4.660 4.458 4.100 4.651 . 0 0 "[ . 1 . 2]" 2
212 1 40 GLY HA2 1 41 PRO QD . . 3.620 2.526 1.960 3.442 . 0 0 "[ . 1 . 2]" 2
213 1 40 GLY HA3 1 41 PRO QD . . 3.620 2.442 1.957 3.433 . 0 0 "[ . 1 . 2]" 2
214 1 33 ARG H 1 33 ARG HG2 . . 3.740 2.904 1.900 3.741 0.001 8 0 "[ . 1 . 2]" 2
215 1 33 ARG HA 1 33 ARG HG2 . . 4.140 2.933 2.219 3.822 . 0 0 "[ . 1 . 2]" 2
216 1 28 LEU HG 1 31 HIS HB3 . . 5.500 4.549 4.156 4.797 . 0 0 "[ . 1 . 2]" 2
217 1 28 LEU HG 1 32 GLN HG2 . . 4.390 3.805 3.137 4.271 . 0 0 "[ . 1 . 2]" 2
218 1 13 TYR HA 1 28 LEU MD2 . . 4.260 3.196 2.758 3.644 . 0 0 "[ . 1 . 2]" 2
219 1 13 TYR QE 1 28 LEU MD2 . . 5.500 4.838 4.380 5.328 . 0 0 "[ . 1 . 2]" 2
220 1 22 PHE QE 1 28 LEU MD2 . . 5.500 4.788 4.480 5.190 . 0 0 "[ . 1 . 2]" 2
221 1 28 LEU MD2 1 31 HIS HD2 . . 5.500 5.061 4.786 5.353 . 0 0 "[ . 1 . 2]" 2
222 1 28 LEU HB2 1 28 LEU MD2 . . 3.630 2.435 2.360 2.583 . 0 0 "[ . 1 . 2]" 2
223 1 20 LYS H 1 20 LYS HG3 . . 4.810 4.007 2.764 4.644 . 0 0 "[ . 1 . 2]" 2
224 1 20 LYS H 1 20 LYS HG2 . . 4.810 4.348 3.977 4.623 . 0 0 "[ . 1 . 2]" 2
225 1 25 LYS HG3 1 26 SER H . . 5.500 4.299 3.301 4.977 . 0 0 "[ . 1 . 2]" 2
226 1 25 LYS HG3 1 29 MET H . . 5.500 4.154 3.211 5.104 . 0 0 "[ . 1 . 2]" 2
227 1 22 PHE H 1 28 LEU MD1 . . 5.030 4.682 4.130 5.024 . 0 0 "[ . 1 . 2]" 2
228 1 22 PHE QE 1 28 LEU MD1 . . 3.730 2.766 2.484 3.096 . 0 0 "[ . 1 . 2]" 2
229 1 15 CYS HA 1 28 LEU MD1 . . 3.410 2.220 1.966 2.780 . 0 0 "[ . 1 . 2]" 2
230 1 28 LEU MD1 1 32 GLN HG2 . . 3.900 2.625 2.115 2.942 . 0 0 "[ . 1 . 2]" 2
231 1 28 LEU MD1 1 32 GLN HB2 . . 4.890 4.478 4.070 4.883 . 0 0 "[ . 1 . 2]" 2
232 1 30 VAL HA 1 33 ARG QD . . 3.950 2.659 1.987 3.427 . 0 0 "[ . 1 . 2]" 2
233 1 30 VAL HA 1 30 VAL MG1 . . 3.300 2.403 2.313 2.477 . 0 0 "[ . 1 . 2]" 2
234 1 27 ASN HA 1 30 VAL MG2 . . 3.730 3.489 3.170 3.730 0.000 18 0 "[ . 1 . 2]" 2
235 1 30 VAL MG2 1 33 ARG QD . . 4.750 3.694 2.871 4.564 . 0 0 "[ . 1 . 2]" 2
236 1 26 SER HB2 1 30 VAL MG2 . . 5.500 4.811 3.557 5.459 . 0 0 "[ . 1 . 2]" 2
237 1 26 SER HB3 1 30 VAL MG2 . . 5.500 4.629 3.540 5.392 . 0 0 "[ . 1 . 2]" 2
238 1 30 VAL HA 1 30 VAL MG2 . . 3.120 2.344 2.259 2.451 . 0 0 "[ . 1 . 2]" 2
239 1 29 MET QB 1 30 VAL MG2 . . 4.320 3.221 2.904 3.902 . 0 0 "[ . 1 . 2]" 2
240 1 26 SER HA 1 30 VAL MG2 . . 5.030 3.885 3.558 4.278 . 0 0 "[ . 1 . 2]" 2
241 1 20 LYS HA 1 21 ALA MB . . 4.460 3.939 3.851 3.995 . 0 0 "[ . 1 . 2]" 2
242 1 14 GLU QG 1 21 ALA MB . . 3.700 2.490 1.948 2.953 . 0 0 "[ . 1 . 2]" 2
243 1 14 GLU HB2 1 21 ALA MB . . 5.420 4.957 4.455 5.404 . 0 0 "[ . 1 . 2]" 2
244 1 14 GLU HB3 1 21 ALA MB . . 5.500 4.775 4.278 5.157 . 0 0 "[ . 1 . 2]" 2
245 1 22 PHE HB3 1 28 LEU HB2 . . 4.450 3.514 3.236 3.792 . 0 0 "[ . 1 . 2]" 2
246 1 22 PHE HB3 1 27 ASN HB2 . . 4.200 3.596 2.684 4.185 . 0 0 "[ . 1 . 2]" 2
247 1 22 PHE HB3 1 28 LEU MD1 . . 5.160 4.661 4.225 5.064 . 0 0 "[ . 1 . 2]" 2
248 1 22 PHE HB3 1 28 LEU MD2 . . 5.500 5.073 4.752 5.244 . 0 0 "[ . 1 . 2]" 2
249 1 22 PHE HB2 1 28 LEU H . . 4.750 3.887 3.362 4.365 . 0 0 "[ . 1 . 2]" 2
250 1 21 ALA HA 1 22 PHE HB2 . . 5.080 4.410 4.379 4.526 . 0 0 "[ . 1 . 2]" 2
251 1 13 TYR HB3 1 22 PHE HB2 . . 3.970 3.321 2.994 3.645 . 0 0 "[ . 1 . 2]" 2
252 1 22 PHE HB2 1 28 LEU HB3 . . 4.650 3.869 3.302 4.135 . 0 0 "[ . 1 . 2]" 2
253 1 22 PHE HB2 1 28 LEU MD1 . . 4.690 3.673 3.061 4.074 . 0 0 "[ . 1 . 2]" 2
254 1 22 PHE HB2 1 28 LEU MD2 . . 5.050 3.752 3.438 3.970 . 0 0 "[ . 1 . 2]" 2
255 1 24 THR MG 1 25 LYS H . . 4.510 3.649 3.495 3.793 . 0 0 "[ . 1 . 2]" 2
256 1 23 ASN HB2 1 24 THR MG . . 4.350 3.390 2.514 4.349 . 0 0 "[ . 1 . 2]" 2
257 1 33 ARG HA 1 33 ARG QD . . 4.290 4.023 2.822 4.289 . 0 0 "[ . 1 . 2]" 2
258 1 33 ARG HB2 1 33 ARG QD . . 3.340 2.582 2.145 3.059 . 0 0 "[ . 1 . 2]" 2
259 1 30 VAL MG1 1 33 ARG QD . . 4.510 3.273 2.568 3.913 . 0 0 "[ . 1 . 2]" 2
260 1 35 HIS HB3 1 36 THR MG . . 5.050 4.063 3.164 4.997 . 0 0 "[ . 1 . 2]" 2
261 1 35 HIS HB2 1 36 THR MG . . 4.830 3.673 3.032 4.352 . 0 0 "[ . 1 . 2]" 2
262 1 27 ASN HA 1 30 VAL MG1 . . 4.740 4.519 4.250 4.708 . 0 0 "[ . 1 . 2]" 2
263 1 33 ARG H 1 34 THR MG . . 4.590 4.183 3.834 4.590 . 0 0 "[ . 1 . 2]" 2
264 1 31 HIS HA 1 34 THR MG . . 3.570 2.381 1.794 3.279 . 0 0 "[ . 1 . 2]" 2
265 1 25 LYS QE 1 28 LEU MD2 . . 5.000 3.885 1.905 4.956 . 0 0 "[ . 1 . 2]" 2
266 1 28 LEU HB3 1 28 LEU MD2 . . 3.320 2.251 2.134 2.346 . 0 0 "[ . 1 . 2]" 2
267 1 22 PHE HB2 1 28 LEU HB2 . . 3.950 2.476 2.203 2.688 . 0 0 "[ . 1 . 2]" 2
268 1 28 LEU HB2 1 28 LEU MD1 . . 3.480 2.278 2.151 2.383 . 0 0 "[ . 1 . 2]" 2
269 1 36 THR HA 1 36 THR MG . . 3.450 2.835 2.190 3.204 . 0 0 "[ . 1 . 2]" 2
270 1 26 SER HA 1 29 MET HG3 . . 4.990 3.318 2.786 3.604 . 0 0 "[ . 1 . 2]" 2
271 1 26 SER HA 1 29 MET QB . . 3.510 2.985 2.440 3.511 0.001 7 0 "[ . 1 . 2]" 2
272 1 23 ASN HB3 1 24 THR MG . . 4.350 3.836 2.603 4.348 . 0 0 "[ . 1 . 2]" 2
273 1 13 TYR HB2 1 28 LEU HB3 . . 4.700 4.635 4.456 4.696 . 0 0 "[ . 1 . 2]" 2
274 1 13 TYR HB3 1 28 LEU HB3 . . 4.170 3.492 3.199 3.863 . 0 0 "[ . 1 . 2]" 2
275 1 13 TYR HB3 1 28 LEU HB2 . . 3.840 3.195 2.922 3.392 . 0 0 "[ . 1 . 2]" 2
276 1 13 TYR HB3 1 28 LEU MD2 . . 3.290 2.094 1.830 2.362 . 0 0 "[ . 1 . 2]" 2
277 1 13 TYR HB3 1 28 LEU HG . . 5.070 4.762 4.361 4.956 . 0 0 "[ . 1 . 2]" 2
278 1 13 TYR HB2 1 22 PHE H . . 4.600 2.712 2.355 3.084 . 0 0 "[ . 1 . 2]" 2
279 1 13 TYR HB2 1 22 PHE HB3 . . 4.640 4.133 3.862 4.536 . 0 0 "[ . 1 . 2]" 2
280 1 13 TYR HB2 1 28 LEU HB2 . . 4.080 3.878 3.739 4.078 . 0 0 "[ . 1 . 2]" 2
281 1 13 TYR HB2 1 28 LEU MD2 . . 3.700 3.425 3.197 3.699 . 0 0 "[ . 1 . 2]" 2
282 1 31 HIS HD2 1 32 GLN HA . . 4.070 3.401 2.751 3.939 . 0 0 "[ . 1 . 2]" 2
283 1 32 GLN HA 1 35 HIS HB2 . . 4.850 3.613 3.054 4.017 . 0 0 "[ . 1 . 2]" 2
284 1 32 GLN HA 1 32 GLN HG3 . . 3.950 3.194 2.862 3.668 . 0 0 "[ . 1 . 2]" 2
285 1 31 HIS HA 1 32 GLN HA . . 5.440 4.842 4.689 4.952 . 0 0 "[ . 1 . 2]" 2
286 1 32 GLN HA 1 33 ARG HA . . 5.500 4.807 4.708 4.924 . 0 0 "[ . 1 . 2]" 2
287 1 27 ASN HB3 1 28 LEU H . . 3.840 3.006 2.376 3.626 . 0 0 "[ . 1 . 2]" 2
288 1 22 PHE QD 1 27 ASN HB3 . . 3.990 2.676 2.215 3.060 . 0 0 "[ . 1 . 2]" 2
289 1 22 PHE HB3 1 27 ASN HB3 . . 4.200 3.217 2.107 4.100 . 0 0 "[ . 1 . 2]" 2
290 1 22 PHE QE 1 31 HIS HA . . 5.400 4.889 4.403 5.184 . 0 0 "[ . 1 . 2]" 2
291 1 30 VAL MG1 1 31 HIS HA . . 4.490 3.561 3.364 3.827 . 0 0 "[ . 1 . 2]" 2
292 1 29 MET HA 1 29 MET HG2 . . 4.160 2.913 2.236 3.852 . 0 0 "[ . 1 . 2]" 2
293 1 28 LEU HG 1 29 MET HA . . 4.170 3.197 3.055 3.400 . 0 0 "[ . 1 . 2]" 2
294 1 28 LEU MD1 1 29 MET HA . . 5.070 4.326 4.061 4.727 . 0 0 "[ . 1 . 2]" 2
295 1 28 LEU MD2 1 29 MET HA . . 5.450 4.365 4.157 4.577 . 0 0 "[ . 1 . 2]" 2
296 1 13 TYR HB2 1 25 LYS HA . . 4.780 4.323 3.848 4.622 . 0 0 "[ . 1 . 2]" 2
297 1 14 GLU QG 1 21 ALA HA . . 4.820 2.565 1.993 3.212 . 0 0 "[ . 1 . 2]" 2
298 1 14 GLU QG 1 19 GLN HA . . 5.000 4.672 4.272 4.977 . 0 0 "[ . 1 . 2]" 2
299 1 33 ARG HA 1 36 THR H . . 4.740 3.706 3.177 4.053 . 0 0 "[ . 1 . 2]" 2
300 1 25 LYS HA 1 28 LEU HB3 . . 3.370 2.608 2.422 2.867 . 0 0 "[ . 1 . 2]" 2
301 1 25 LYS HA 1 28 LEU MD2 . . 4.040 3.271 2.877 3.694 . 0 0 "[ . 1 . 2]" 2
302 1 33 ARG HA 1 35 HIS HB2 . . 5.200 4.430 4.041 4.868 . 0 0 "[ . 1 . 2]" 2
303 1 33 ARG HA 1 33 ARG HG3 . . 4.140 3.340 2.526 3.929 . 0 0 "[ . 1 . 2]" 2
304 1 33 ARG HA 1 36 THR MG . . 4.600 3.201 1.926 4.552 . 0 0 "[ . 1 . 2]" 2
305 1 28 LEU HA 1 29 MET HA . . 4.910 4.873 4.840 4.904 . 0 0 "[ . 1 . 2]" 2
306 1 22 PHE QD 1 28 LEU HA . . 4.000 3.533 3.235 3.768 . 0 0 "[ . 1 . 2]" 2
307 1 28 LEU HA 1 31 HIS HB3 . . 3.410 2.240 2.011 2.530 . 0 0 "[ . 1 . 2]" 2
308 1 28 LEU HA 1 31 HIS HB2 . . 3.780 3.515 3.320 3.734 . 0 0 "[ . 1 . 2]" 2
309 1 22 PHE QE 1 28 LEU HA . . 4.540 3.650 3.314 3.881 . 0 0 "[ . 1 . 2]" 2
310 1 28 LEU HA 1 31 HIS HD2 . . 4.950 3.683 3.369 4.112 . 0 0 "[ . 1 . 2]" 2
311 1 28 LEU HA 1 28 LEU HG . . 3.940 3.282 3.103 3.378 . 0 0 "[ . 1 . 2]" 2
312 1 28 LEU HA 1 28 LEU MD1 . . 3.160 2.261 2.081 2.516 . 0 0 "[ . 1 . 2]" 2
313 1 16 ASN QB 1 17 GLU HA . . 4.990 4.225 3.852 4.765 . 0 0 "[ . 1 . 2]" 2
314 1 17 GLU HA 1 17 GLU HG2 . . 4.220 2.957 2.213 3.746 . 0 0 "[ . 1 . 2]" 2
315 1 17 GLU HA 1 17 GLU HG3 . . 4.220 3.099 2.390 3.741 . 0 0 "[ . 1 . 2]" 2
316 1 17 GLU H 1 17 GLU HG2 . . 4.700 3.814 2.561 4.663 . 0 0 "[ . 1 . 2]" 2
317 1 31 HIS HD2 1 32 GLN HG2 . . 4.340 3.255 2.608 4.158 . 0 0 "[ . 1 . 2]" 2
318 1 29 MET HA 1 32 GLN HG2 . . 4.980 4.649 4.277 4.965 . 0 0 "[ . 1 . 2]" 2
319 1 32 GLN HA 1 32 GLN HG2 . . 3.950 2.450 2.289 2.727 . 0 0 "[ . 1 . 2]" 2
320 1 29 MET HA 1 32 GLN HG3 . . 4.980 3.088 2.643 3.751 . 0 0 "[ . 1 . 2]" 2
321 1 28 LEU HG 1 32 GLN HG3 . . 4.390 2.711 2.239 3.039 . 0 0 "[ . 1 . 2]" 2
322 1 28 LEU MD1 1 32 GLN HG3 . . 3.900 2.470 2.021 2.979 . 0 0 "[ . 1 . 2]" 2
323 1 20 LYS HA 1 20 LYS HG3 . . 3.830 2.650 2.326 3.044 . 0 0 "[ . 1 . 2]" 2
324 1 20 LYS HA 1 20 LYS HG2 . . 3.830 2.829 2.287 3.433 . 0 0 "[ . 1 . 2]" 2
325 1 19 GLN HA 1 19 GLN HG2 . . 3.910 3.075 2.454 3.701 . 0 0 "[ . 1 . 2]" 2
326 1 19 GLN H 1 19 GLN HG3 . . 4.630 3.816 2.949 4.471 . 0 0 "[ . 1 . 2]" 2
327 1 19 GLN HA 1 19 GLN HG3 . . 3.910 3.246 2.364 3.761 . 0 0 "[ . 1 . 2]" 2
328 1 20 LYS HB2 1 22 PHE HZ . . 4.690 4.275 3.456 4.691 0.001 9 0 "[ . 1 . 2]" 2
329 1 20 LYS H 1 20 LYS HB3 . . 4.120 2.994 2.413 3.632 . 0 0 "[ . 1 . 2]" 2
330 1 20 LYS HB3 1 21 ALA H . . 4.440 3.396 1.942 4.285 . 0 0 "[ . 1 . 2]" 2
331 1 11 LYS HB2 1 12 PRO QD . . 4.410 3.712 3.458 3.840 . 0 0 "[ . 1 . 2]" 2
332 1 11 LYS HB2 1 21 ALA MB . . 4.090 2.107 1.894 2.624 . 0 0 "[ . 1 . 2]" 2
333 1 11 LYS HB3 1 21 ALA MB . . 4.090 3.252 2.466 3.840 . 0 0 "[ . 1 . 2]" 2
334 1 14 GLU HB2 1 15 CYS H . . 4.640 4.294 4.016 4.488 . 0 0 "[ . 1 . 2]" 2
335 1 27 ASN HA 1 30 VAL HB . . 3.560 3.257 3.062 3.450 . 0 0 "[ . 1 . 2]" 2
336 1 29 MET HA 1 29 MET HG3 . . 4.160 3.552 3.033 3.809 . 0 0 "[ . 1 . 2]" 2
337 1 26 SER HA 1 29 MET HG2 . . 4.990 3.687 2.001 4.915 . 0 0 "[ . 1 . 2]" 2
338 1 11 LYS HA 1 11 LYS QD . . 4.550 2.980 2.000 4.088 . 0 0 "[ . 1 . 2]" 2
339 1 18 CYS HB3 1 19 GLN H . . 4.430 4.160 4.014 4.327 . 0 0 "[ . 1 . 2]" 2
340 1 18 CYS HB2 1 35 HIS HE1 . . 4.000 3.704 3.382 3.997 . 0 0 "[ . 1 . 2]" 2
341 1 13 TYR HA 1 13 TYR QE . . 4.920 4.731 4.654 4.833 . 0 0 "[ . 1 . 2]" 2
342 1 12 PRO QD 1 13 TYR QE . . 4.660 3.776 3.170 4.160 . 0 0 "[ . 1 . 2]" 2
343 1 13 TYR QE 1 25 LYS HA . . 4.720 3.811 3.607 4.036 . 0 0 "[ . 1 . 2]" 2
344 1 13 TYR QE 1 25 LYS QE . . 4.250 3.313 1.864 4.249 . 0 0 "[ . 1 . 2]" 2
345 1 13 TYR QE 1 25 LYS HD2 . . 5.270 3.616 2.030 5.204 . 0 0 "[ . 1 . 2]" 2
346 1 13 TYR QE 1 25 LYS HG2 . . 5.220 4.374 3.524 4.960 . 0 0 "[ . 1 . 2]" 2
347 1 18 CYS HB3 1 35 HIS HE1 . . 4.000 2.297 2.005 2.929 . 0 0 "[ . 1 . 2]" 2
348 1 20 LYS QD 1 31 HIS HE1 . . 3.800 3.468 2.601 3.798 . 0 0 "[ . 1 . 2]" 2
349 1 13 TYR QD 1 24 THR H . . 4.930 4.403 4.106 4.788 . 0 0 "[ . 1 . 2]" 2
350 1 13 TYR HA 1 13 TYR QD . . 3.510 2.790 2.589 2.950 . 0 0 "[ . 1 . 2]" 2
351 1 12 PRO HA 1 13 TYR QD . . 5.230 5.160 5.011 5.230 . 0 0 "[ . 1 . 2]" 2
352 1 12 PRO QD 1 13 TYR QD . . 3.900 3.126 2.837 3.509 . 0 0 "[ . 1 . 2]" 2
353 1 13 TYR QD 1 25 LYS HA . . 4.180 3.175 2.924 3.501 . 0 0 "[ . 1 . 2]" 2
354 1 13 TYR QD 1 28 LEU HB3 . . 4.500 4.407 4.202 4.499 . 0 0 "[ . 1 . 2]" 2
355 1 12 PRO HB2 1 13 TYR QD . . 4.200 4.027 3.794 4.199 . 0 0 "[ . 1 . 2]" 2
356 1 13 TYR QD 1 25 LYS HG3 . . 4.870 3.508 2.151 4.826 . 0 0 "[ . 1 . 2]" 2
357 1 13 TYR QD 1 25 LYS HG2 . . 4.870 4.546 3.751 4.869 . 0 0 "[ . 1 . 2]" 2
358 1 13 TYR QD 1 28 LEU MD2 . . 3.680 3.095 2.632 3.491 . 0 0 "[ . 1 . 2]" 2
359 1 21 ALA HA 1 22 PHE QD . . 3.890 2.989 2.740 3.312 . 0 0 "[ . 1 . 2]" 2
360 1 22 PHE HA 1 22 PHE QD . . 3.820 3.113 3.041 3.143 . 0 0 "[ . 1 . 2]" 2
361 1 22 PHE QD 1 27 ASN HB2 . . 3.990 3.673 3.170 3.973 . 0 0 "[ . 1 . 2]" 2
362 1 22 PHE QD 1 28 LEU HB3 . . 4.910 4.653 4.150 4.898 . 0 0 "[ . 1 . 2]" 2
363 1 22 PHE QD 1 28 LEU HG . . 5.500 5.195 4.908 5.480 . 0 0 "[ . 1 . 2]" 2
364 1 22 PHE QD 1 28 LEU HB2 . . 4.110 3.176 2.582 3.513 . 0 0 "[ . 1 . 2]" 2
365 1 21 ALA MB 1 22 PHE QD . . 4.780 4.238 3.999 4.533 . 0 0 "[ . 1 . 2]" 2
366 1 22 PHE QD 1 28 LEU MD1 . . 3.410 2.689 2.301 3.109 . 0 0 "[ . 1 . 2]" 2
367 1 22 PHE QE 1 31 HIS H . . 5.360 4.964 4.221 5.339 . 0 0 "[ . 1 . 2]" 2
368 1 15 CYS HB3 1 22 PHE QE . . 4.470 4.012 3.691 4.447 . 0 0 "[ . 1 . 2]" 2
369 1 20 LYS QD 1 22 PHE QE . . 4.670 3.519 2.935 4.227 . 0 0 "[ . 1 . 2]" 2
370 1 20 LYS HB2 1 22 PHE QE . . 4.230 3.309 2.241 3.992 . 0 0 "[ . 1 . 2]" 2
371 1 20 LYS HB3 1 22 PHE QE . . 4.230 2.514 2.008 3.493 . 0 0 "[ . 1 . 2]" 2
372 1 15 CYS HB3 1 31 HIS HD2 . . 4.730 4.473 4.166 4.705 . 0 0 "[ . 1 . 2]" 2
373 1 15 CYS HB2 1 31 HIS HD2 . . 3.440 3.285 2.997 3.435 . 0 0 "[ . 1 . 2]" 2
374 1 31 HIS HD2 1 32 GLN HG3 . . 4.340 3.563 2.745 4.327 . 0 0 "[ . 1 . 2]" 2
375 1 28 LEU MD1 1 31 HIS HD2 . . 3.560 2.409 2.099 2.747 . 0 0 "[ . 1 . 2]" 2
376 1 32 GLN HA 1 35 HIS HD2 . . 3.410 2.208 2.000 2.627 . 0 0 "[ . 1 . 2]" 2
377 1 35 HIS HB2 1 35 HIS HD2 . . 3.630 2.710 2.690 2.747 . 0 0 "[ . 1 . 2]" 2
378 1 32 GLN HB3 1 35 HIS HD2 . . 4.970 3.914 3.201 4.488 . 0 0 "[ . 1 . 2]" 2
379 1 17 GLU HB2 1 35 HIS HD2 . . 4.730 3.250 2.677 4.707 . 0 0 "[ . 1 . 2]" 2
380 1 17 GLU HB3 1 35 HIS HD2 . . 4.730 4.016 2.971 4.711 . 0 0 "[ . 1 . 2]" 2
381 1 22 PHE HZ 1 31 HIS HB3 . . 4.510 3.510 3.074 3.958 . 0 0 "[ . 1 . 2]" 2
382 1 20 LYS QD 1 22 PHE HZ . . 3.960 3.148 2.275 3.943 . 0 0 "[ . 1 . 2]" 2
383 1 22 PHE HZ 1 31 HIS HE1 . . 4.830 3.421 3.007 4.162 . 0 0 "[ . 1 . 2]" 2
384 1 20 LYS HB3 1 22 PHE HZ . . 4.690 3.599 2.989 4.485 . 0 0 "[ . 1 . 2]" 2
385 1 22 PHE HZ 1 31 HIS HB2 . . 4.090 3.323 2.801 3.749 . 0 0 "[ . 1 . 2]" 2
386 1 13 TYR HB3 1 22 PHE HB3 . . 5.340 4.867 4.512 5.280 . 0 0 "[ . 1 . 2]" 2
387 1 22 PHE HB3 1 28 LEU HB3 . . 5.190 4.682 4.098 5.092 . 0 0 "[ . 1 . 2]" 2
388 1 13 TYR QE 1 25 LYS HG3 . . 5.220 3.777 2.572 5.131 . 0 0 "[ . 1 . 2]" 2
389 1 25 LYS HG2 1 26 SER H . . 5.500 3.883 3.240 4.338 . 0 0 "[ . 1 . 2]" 2
390 1 25 LYS HG2 1 29 MET H . . 5.500 4.206 3.294 5.484 . 0 0 "[ . 1 . 2]" 2
391 1 13 TYR QE 1 25 LYS HD3 . . 5.270 4.020 2.002 5.271 0.001 1 0 "[ . 1 . 2]" 2
392 1 25 LYS HA 1 28 LEU HB2 . . 4.340 3.718 3.530 4.007 . 0 0 "[ . 1 . 2]" 2
393 1 28 LEU MD1 1 31 HIS HB3 . . 3.750 3.117 2.811 3.368 . 0 0 "[ . 1 . 2]" 2
394 1 15 CYS HA 1 31 HIS HD2 . . 5.150 4.407 3.940 4.729 . 0 0 "[ . 1 . 2]" 2
395 1 33 ARG HB3 1 33 ARG QD . . 3.340 2.450 2.093 3.301 . 0 0 "[ . 1 . 2]" 2
396 1 34 THR HA 1 34 THR MG . . 3.210 2.548 2.074 3.194 . 0 0 "[ . 1 . 2]" 2
397 1 22 PHE QE 1 31 HIS HE1 . . 5.400 4.525 4.143 5.165 . 0 0 "[ . 1 . 2]" 2
398 1 10 GLU H 1 10 GLU QB . . 3.580 2.608 2.201 3.318 . 0 0 "[ . 1 . 2]" 2
399 1 10 GLU QB 1 11 LYS H . . 3.920 3.450 2.406 3.899 . 0 0 "[ . 1 . 2]" 2
400 1 10 GLU QB 1 12 PRO QD . . 5.340 5.211 5.024 5.342 0.002 19 0 "[ . 1 . 2]" 2
401 1 11 LYS H 1 11 LYS QB . . 3.430 2.408 2.177 2.700 . 0 0 "[ . 1 . 2]" 2
402 1 11 LYS H 1 11 LYS QG . . 4.010 3.078 2.345 3.724 . 0 0 "[ . 1 . 2]" 2
403 1 11 LYS HA 1 11 LYS QG . . 3.670 2.497 2.154 2.927 . 0 0 "[ . 1 . 2]" 2
404 1 11 LYS HA 1 12 PRO QG . . 4.840 3.934 3.911 4.005 . 0 0 "[ . 1 . 2]" 2
405 1 11 LYS QB 1 12 PRO QD . . 3.720 2.313 2.001 2.542 . 0 0 "[ . 1 . 2]" 2
406 1 11 LYS QB 1 13 TYR H . . 4.670 2.305 2.159 2.435 . 0 0 "[ . 1 . 2]" 2
407 1 11 LYS QB 1 21 ALA MB . . 3.370 2.078 1.882 2.582 . 0 0 "[ . 1 . 2]" 2
408 1 11 LYS QB 1 22 PHE H . . 4.210 3.041 2.670 3.348 . 0 0 "[ . 1 . 2]" 2
409 1 11 LYS QG 1 12 PRO QD . . 3.810 3.156 2.417 3.786 . 0 0 "[ . 1 . 2]" 2
410 1 11 LYS QG 1 13 TYR H . . 5.190 4.273 3.935 4.510 . 0 0 "[ . 1 . 2]" 2
411 1 11 LYS QG 1 22 PHE H . . 5.320 3.935 3.415 4.742 . 0 0 "[ . 1 . 2]" 2
412 1 12 PRO QG 1 13 TYR H . . 3.960 2.995 2.933 3.175 . 0 0 "[ . 1 . 2]" 2
413 1 12 PRO QG 1 13 TYR QD . . 3.940 2.627 2.197 3.114 . 0 0 "[ . 1 . 2]" 2
414 1 12 PRO QG 1 13 TYR QE . . 4.020 2.501 2.252 2.868 . 0 0 "[ . 1 . 2]" 2
415 1 13 TYR QD 1 25 LYS QB . . 5.180 3.178 2.668 3.551 . 0 0 "[ . 1 . 2]" 2
416 1 13 TYR QD 1 25 LYS QD . . 5.340 3.560 1.989 5.115 . 0 0 "[ . 1 . 2]" 2
417 1 13 TYR QE 1 25 LYS QB . . 3.720 2.212 1.991 2.481 . 0 0 "[ . 1 . 2]" 2
418 1 13 TYR QE 1 25 LYS QG . . 4.350 3.413 2.546 4.251 . 0 0 "[ . 1 . 2]" 2
419 1 13 TYR QE 1 25 LYS QD . . 4.550 3.117 1.978 4.282 . 0 0 "[ . 1 . 2]" 2
420 1 15 CYS HA 1 32 GLN QE . . 4.310 3.015 1.893 4.271 . 0 0 "[ . 1 . 2]" 2
421 1 15 CYS HB2 1 20 LYS QB . . 4.720 2.912 2.616 3.265 . 0 0 "[ . 1 . 2]" 2
422 1 15 CYS HB3 1 20 LYS QB . . 4.610 3.488 3.154 3.736 . 0 0 "[ . 1 . 2]" 2
423 1 16 ASN HA 1 19 GLN QE . . 4.550 2.927 1.844 4.151 . 0 0 "[ . 1 . 2]" 2
424 1 17 GLU H 1 17 GLU QB . . 3.240 2.362 2.161 2.604 . 0 0 "[ . 1 . 2]" 2
425 1 17 GLU H 1 17 GLU QG . . 4.080 3.309 2.519 4.071 . 0 0 "[ . 1 . 2]" 2
426 1 17 GLU HA 1 17 GLU QG . . 3.690 2.492 2.190 2.865 . 0 0 "[ . 1 . 2]" 2
427 1 17 GLU QB 1 35 HIS HD2 . . 4.140 3.036 2.602 3.913 . 0 0 "[ . 1 . 2]" 2
428 1 17 GLU QG 1 18 CYS H . . 4.390 4.086 3.524 4.351 . 0 0 "[ . 1 . 2]" 2
429 1 18 CYS H 1 18 CYS QB . . 3.560 2.704 2.549 2.968 . 0 0 "[ . 1 . 2]" 2
430 1 18 CYS QB 1 19 GLN H . . 3.860 3.722 3.615 3.835 . 0 0 "[ . 1 . 2]" 2
431 1 18 CYS QB 1 35 HIS HE1 . . 3.330 2.272 1.996 2.854 . 0 0 "[ . 1 . 2]" 2
432 1 19 GLN H 1 19 GLN QB . . 3.670 3.318 3.145 3.411 . 0 0 "[ . 1 . 2]" 2
433 1 19 GLN H 1 19 GLN QG . . 3.920 2.996 2.622 3.839 . 0 0 "[ . 1 . 2]" 2
434 1 19 GLN H 1 19 GLN QE . . 4.640 4.046 2.942 4.640 . 0 0 "[ . 1 . 2]" 2
435 1 20 LYS H 1 20 LYS QB . . 3.460 2.348 2.219 2.454 . 0 0 "[ . 1 . 2]" 2
436 1 20 LYS HA 1 20 LYS QG . . 3.260 2.350 2.224 2.547 . 0 0 "[ . 1 . 2]" 2
437 1 20 LYS QB 1 21 ALA H . . 3.870 3.155 1.931 3.852 . 0 0 "[ . 1 . 2]" 2
438 1 20 LYS QB 1 22 PHE HZ . . 3.870 3.305 2.939 3.866 . 0 0 "[ . 1 . 2]" 2
439 1 20 LYS QG 1 21 ALA H . . 3.840 2.994 2.326 3.822 . 0 0 "[ . 1 . 2]" 2
440 1 22 PHE HB3 1 27 ASN QB . . 3.530 2.820 2.095 3.451 . 0 0 "[ . 1 . 2]" 2
441 1 23 ASN QB 1 24 THR H . . 3.950 2.871 2.319 3.312 . 0 0 "[ . 1 . 2]" 2
442 1 23 ASN QB 1 24 THR MG . . 3.770 2.899 2.476 3.395 . 0 0 "[ . 1 . 2]" 2
443 1 23 ASN QD 1 24 THR H . . 4.660 3.286 2.073 4.090 . 0 0 "[ . 1 . 2]" 2
444 1 23 ASN QD 1 24 THR MG . . 4.430 2.784 1.937 4.376 . 0 0 "[ . 1 . 2]" 2
445 1 24 THR H 1 27 ASN QB . . 3.520 3.073 2.625 3.412 . 0 0 "[ . 1 . 2]" 2
446 1 24 THR HB 1 26 SER QB . . 4.790 3.743 3.384 4.488 . 0 0 "[ . 1 . 2]" 2
447 1 25 LYS H 1 25 LYS QG . . 4.650 3.973 3.879 4.037 . 0 0 "[ . 1 . 2]" 2
448 1 25 LYS HA 1 25 LYS QG . . 3.540 2.537 2.248 2.874 . 0 0 "[ . 1 . 2]" 2
449 1 25 LYS QB 1 26 SER H . . 4.390 2.302 2.137 2.491 . 0 0 "[ . 1 . 2]" 2
450 1 25 LYS QG 1 29 MET H . . 4.790 3.468 3.173 3.901 . 0 0 "[ . 1 . 2]" 2
451 1 25 LYS QG 1 29 MET QG . . 4.010 2.589 1.907 3.972 . 0 0 "[ . 1 . 2]" 2
452 1 26 SER HA 1 29 MET QG . . 4.310 2.864 1.987 3.433 . 0 0 "[ . 1 . 2]" 2
453 1 26 SER QB 1 27 ASN H . . 3.800 2.670 2.227 3.564 . 0 0 "[ . 1 . 2]" 2
454 1 27 ASN H 1 27 ASN QB . . 3.110 2.256 2.130 2.547 . 0 0 "[ . 1 . 2]" 2
455 1 27 ASN QB 1 28 LEU H . . 3.260 2.499 2.332 2.773 . 0 0 "[ . 1 . 2]" 2
456 1 28 LEU HG 1 32 GLN QG . . 3.760 2.650 2.212 2.964 . 0 0 "[ . 1 . 2]" 2
457 1 28 LEU MD1 1 32 GLN QG . . 3.190 2.234 1.919 2.593 . 0 0 "[ . 1 . 2]" 2
458 1 28 LEU MD1 1 32 GLN QE . . 3.760 2.523 1.859 3.263 . 0 0 "[ . 1 . 2]" 2
459 1 28 LEU MD2 1 32 GLN QG . . 4.430 3.766 3.399 4.006 . 0 0 "[ . 1 . 2]" 2
460 1 29 MET H 1 29 MET QG . . 3.230 2.276 1.901 2.672 . 0 0 "[ . 1 . 2]" 2
461 1 29 MET HA 1 29 MET QG . . 3.510 2.740 2.185 3.337 . 0 0 "[ . 1 . 2]" 2
462 1 29 MET HA 1 32 GLN QG . . 4.380 3.040 2.623 3.646 . 0 0 "[ . 1 . 2]" 2
463 1 29 MET QG 1 30 VAL H . . 4.650 3.498 1.917 4.260 . 0 0 "[ . 1 . 2]" 2
464 1 30 VAL HA 1 33 ARG QB . . 4.760 3.697 2.524 4.374 . 0 0 "[ . 1 . 2]" 2
465 1 30 VAL HA 1 33 ARG QG . . 3.670 2.704 2.042 3.509 . 0 0 "[ . 1 . 2]" 2
466 1 31 HIS HD2 1 32 GLN QG . . 3.640 2.961 2.528 3.406 . 0 0 "[ . 1 . 2]" 2
467 1 32 GLN H 1 32 GLN QG . . 3.100 2.285 1.981 2.540 . 0 0 "[ . 1 . 2]" 2
468 1 32 GLN HA 1 32 GLN QG . . 3.310 2.363 2.239 2.485 . 0 0 "[ . 1 . 2]" 2
469 1 32 GLN QE 1 32 GLN QG . . 3.090 2.148 2.067 2.225 . 0 0 "[ . 1 . 2]" 2
470 1 32 GLN QG 1 33 ARG H . . 4.730 4.087 3.941 4.260 . 0 0 "[ . 1 . 2]" 2
471 1 32 GLN QG 1 35 HIS HD2 . . 4.070 3.615 3.131 4.008 . 0 0 "[ . 1 . 2]" 2
472 1 33 ARG H 1 33 ARG QB . . 2.860 2.464 2.199 2.605 . 0 0 "[ . 1 . 2]" 2
473 1 33 ARG H 1 33 ARG QG . . 3.230 2.258 1.886 3.230 . 0 0 "[ . 1 . 2]" 2
474 1 33 ARG HA 1 33 ARG QG . . 3.490 2.694 2.175 3.343 . 0 0 "[ . 1 . 2]" 2
475 1 33 ARG QB 1 34 THR H . . 3.840 2.740 2.300 3.476 . 0 0 "[ . 1 . 2]" 2
476 1 33 ARG QB 1 34 THR MG . . 5.240 3.971 3.355 5.073 . 0 0 "[ . 1 . 2]" 2
477 1 40 GLY QA 1 41 PRO QD . . 3.170 1.986 1.908 2.133 . 0 0 "[ . 1 . 2]" 2
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