NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508906 |
2yrj   |
11239 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yrj
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 152
_Distance_constraint_stats_list.Viol_total 9.332
_Distance_constraint_stats_list.Viol_max 0.012
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0031
_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 0.112 0.004 20 0 "[ . 1 . 2]"
1 18 CYS 0.288 0.012 18 0 "[ . 1 . 2]"
1 31 HIS 0.155 0.008 20 0 "[ . 1 . 2]"
1 35 HIS 0.027 0.004 7 0 "[ . 1 . 2]"
2 1 ZN 0.350 0.012 18 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 31 HIS NE2 2 1 ZN ZN . . 2.050 2.054 2.052 2.058 0.008 20 0 "[ . 1 . 2]" 1
2 1 35 HIS NE2 2 1 ZN ZN . . 2.050 2.024 1.951 2.052 0.002 8 0 "[ . 1 . 2]" 1
3 1 15 CYS SG 2 1 ZN ZN . 2.250 2.350 2.352 2.349 2.354 0.004 20 0 "[ . 1 . 2]" 1
4 1 18 CYS SG 2 1 ZN ZN . 2.250 2.350 2.246 2.244 2.248 0.006 18 0 "[ . 1 . 2]" 1
5 1 15 CYS CB 2 1 ZN ZN . 3.100 3.400 3.354 3.320 3.382 . 0 0 "[ . 1 . 2]" 1
6 1 18 CYS CB 2 1 ZN ZN . 3.100 3.400 3.407 3.402 3.412 0.012 18 0 "[ . 1 . 2]" 1
7 1 31 HIS NE2 1 35 HIS NE2 . 3.160 3.360 3.251 3.174 3.290 . 0 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.500 3.700 3.498 3.497 3.500 0.003 15 0 "[ . 1 . 2]" 1
9 1 18 CYS SG 1 31 HIS NE2 . 3.500 3.700 3.498 3.496 3.500 0.004 18 0 "[ . 1 . 2]" 1
10 1 15 CYS SG 1 35 HIS NE2 . 3.500 3.700 3.694 3.668 3.704 0.004 7 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.500 3.700 3.636 3.509 3.697 . 0 0 "[ . 1 . 2]" 1
12 1 15 CYS SG 1 18 CYS SG . 3.650 3.850 3.649 3.647 3.659 0.003 12 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 798
_Distance_constraint_stats_list.Viol_count 425
_Distance_constraint_stats_list.Viol_total 66.091
_Distance_constraint_stats_list.Viol_max 0.080
_Distance_constraint_stats_list.Viol_rms 0.0020
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0078
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.002 0.002 8 0 "[ . 1 . 2]"
1 11 LYS 0.168 0.051 12 0 "[ . 1 . 2]"
1 12 PRO 0.165 0.031 17 0 "[ . 1 . 2]"
1 13 TYR 0.230 0.018 17 0 "[ . 1 . 2]"
1 14 ARG 0.958 0.043 18 0 "[ . 1 . 2]"
1 15 CYS 0.226 0.016 12 0 "[ . 1 . 2]"
1 16 GLY 0.181 0.050 16 0 "[ . 1 . 2]"
1 17 GLU 0.260 0.050 16 0 "[ . 1 . 2]"
1 18 CYS 0.183 0.036 16 0 "[ . 1 . 2]"
1 19 GLY 0.692 0.043 18 0 "[ . 1 . 2]"
1 20 LYS 0.056 0.009 18 0 "[ . 1 . 2]"
1 21 ALA 0.366 0.031 17 0 "[ . 1 . 2]"
1 22 PHE 0.235 0.016 17 0 "[ . 1 . 2]"
1 23 ALA 0.045 0.007 4 0 "[ . 1 . 2]"
1 24 GLN 0.007 0.002 9 0 "[ . 1 . 2]"
1 25 LYS 0.056 0.012 18 0 "[ . 1 . 2]"
1 26 ALA 0.109 0.014 9 0 "[ . 1 . 2]"
1 27 ASN 0.034 0.014 9 0 "[ . 1 . 2]"
1 28 LEU 0.168 0.014 2 0 "[ . 1 . 2]"
1 29 THR 0.083 0.010 16 0 "[ . 1 . 2]"
1 30 GLN 0.064 0.012 18 0 "[ . 1 . 2]"
1 31 HIS 0.238 0.023 19 0 "[ . 1 . 2]"
1 32 GLN 0.110 0.021 18 0 "[ . 1 . 2]"
1 33 ARG 0.318 0.080 15 0 "[ . 1 . 2]"
1 34 ILE 0.418 0.080 15 0 "[ . 1 . 2]"
1 35 HIS 0.303 0.037 9 0 "[ . 1 . 2]"
1 36 THR 0.175 0.047 9 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.076 0.019 12 0 "[ . 1 . 2]"
1 39 LYS 0.043 0.019 12 0 "[ . 1 . 2]"
1 40 PRO 0.017 0.017 16 0 "[ . 1 . 2]"
1 42 GLY 0.033 0.020 10 0 "[ . 1 . 2]"
1 43 PRO 0.033 0.020 10 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 H 1 14 ARG H . . 4.510 4.492 4.476 4.522 0.012 18 0 "[ . 1 . 2]" 2
2 1 14 ARG H 1 15 CYS H . . 4.390 4.222 4.183 4.266 . 0 0 "[ . 1 . 2]" 2
3 1 13 TYR QD 1 14 ARG H . . 4.710 4.537 4.467 4.605 . 0 0 "[ . 1 . 2]" 2
4 1 13 TYR HA 1 14 ARG H . . 2.870 2.144 2.141 2.152 . 0 0 "[ . 1 . 2]" 2
5 1 13 TYR HB3 1 14 ARG H . . 3.920 3.387 3.311 3.431 . 0 0 "[ . 1 . 2]" 2
6 1 13 TYR HB2 1 14 ARG H . . 4.150 4.115 4.068 4.143 . 0 0 "[ . 1 . 2]" 2
7 1 14 ARG H 1 14 ARG QB . . 3.120 2.591 2.573 2.619 . 0 0 "[ . 1 . 2]" 2
8 1 14 ARG H 1 14 ARG HG3 . . 4.590 4.589 4.557 4.613 0.023 14 0 "[ . 1 . 2]" 2
9 1 14 ARG H 1 21 ALA MB . . 4.930 4.919 4.781 4.941 0.011 9 0 "[ . 1 . 2]" 2
10 1 14 ARG H 1 28 LEU MD2 . . 3.790 3.739 3.347 3.794 0.004 19 0 "[ . 1 . 2]" 2
11 1 20 LYS H 1 21 ALA H . . 4.830 4.546 4.532 4.578 . 0 0 "[ . 1 . 2]" 2
12 1 20 LYS HA 1 21 ALA H . . 2.710 2.638 2.574 2.658 . 0 0 "[ . 1 . 2]" 2
13 1 20 LYS HB2 1 21 ALA H . . 3.770 3.525 3.493 3.627 . 0 0 "[ . 1 . 2]" 2
14 1 14 ARG HG3 1 21 ALA H . . 4.780 4.440 4.290 4.528 . 0 0 "[ . 1 . 2]" 2
15 1 20 LYS HB3 1 21 ALA H . . 3.010 2.000 1.959 2.134 . 0 0 "[ . 1 . 2]" 2
16 1 20 LYS HG2 1 21 ALA H . . 3.970 3.368 3.351 3.391 . 0 0 "[ . 1 . 2]" 2
17 1 38 GLU HA 1 39 LYS H . . 3.220 2.334 2.137 3.108 . 0 0 "[ . 1 . 2]" 2
18 1 38 GLU HB3 1 39 LYS H . . 4.550 3.915 2.834 4.435 . 0 0 "[ . 1 . 2]" 2
19 1 38 GLU HB2 1 39 LYS H . . 4.550 4.211 2.874 4.549 . 0 0 "[ . 1 . 2]" 2
20 1 15 CYS HB3 1 20 LYS H . . 3.320 1.898 1.891 1.916 . 0 0 "[ . 1 . 2]" 2
21 1 15 CYS HB2 1 20 LYS H . . 3.740 3.502 3.482 3.526 . 0 0 "[ . 1 . 2]" 2
22 1 20 LYS H 1 20 LYS HB2 . . 3.080 2.168 2.163 2.173 . 0 0 "[ . 1 . 2]" 2
23 1 20 LYS H 1 20 LYS HG2 . . 4.030 3.698 3.670 3.731 . 0 0 "[ . 1 . 2]" 2
24 1 20 LYS H 1 20 LYS HG3 . . 3.690 3.036 3.019 3.050 . 0 0 "[ . 1 . 2]" 2
25 1 25 LYS HA 1 28 LEU H . . 3.560 3.039 2.988 3.159 . 0 0 "[ . 1 . 2]" 2
26 1 27 ASN HB2 1 28 LEU H . . 3.890 3.830 3.696 3.893 0.003 12 0 "[ . 1 . 2]" 2
27 1 27 ASN HB3 1 28 LEU H . . 3.730 2.803 2.746 2.943 . 0 0 "[ . 1 . 2]" 2
28 1 28 LEU H 1 28 LEU HB3 . . 3.100 2.204 2.185 2.233 . 0 0 "[ . 1 . 2]" 2
29 1 28 LEU H 1 28 LEU HG . . 4.180 4.160 4.122 4.190 0.010 16 0 "[ . 1 . 2]" 2
30 1 26 ALA MB 1 28 LEU H . . 4.540 4.528 4.490 4.554 0.014 2 0 "[ . 1 . 2]" 2
31 1 28 LEU H 1 28 LEU HB2 . . 3.330 2.953 2.925 3.001 . 0 0 "[ . 1 . 2]" 2
32 1 28 LEU H 1 28 LEU MD2 . . 4.260 4.144 4.105 4.168 . 0 0 "[ . 1 . 2]" 2
33 1 17 GLU H 1 19 GLY H . . 3.990 3.987 3.956 4.004 0.014 17 0 "[ . 1 . 2]" 2
34 1 17 GLU H 1 18 CYS H . . 3.100 2.972 2.900 2.995 . 0 0 "[ . 1 . 2]" 2
35 1 15 CYS HA 1 17 GLU H . . 4.340 4.145 4.096 4.203 . 0 0 "[ . 1 . 2]" 2
36 1 17 GLU H 1 17 GLU QB . . 2.940 2.161 2.141 2.204 . 0 0 "[ . 1 . 2]" 2
37 1 10 GLU HA 1 11 LYS H . . 3.470 2.473 2.362 2.544 . 0 0 "[ . 1 . 2]" 2
38 1 11 LYS H 1 11 LYS HB2 . . 4.150 2.646 2.558 2.717 . 0 0 "[ . 1 . 2]" 2
39 1 11 LYS H 1 11 LYS HG3 . . 4.220 2.624 2.452 2.808 . 0 0 "[ . 1 . 2]" 2
40 1 38 GLU H 1 38 GLU HB3 . . 4.160 3.196 2.496 4.048 . 0 0 "[ . 1 . 2]" 2
41 1 38 GLU H 1 38 GLU HB2 . . 4.160 2.873 2.177 3.893 . 0 0 "[ . 1 . 2]" 2
42 1 28 LEU MD1 1 31 HIS H . . 4.400 4.066 3.955 4.216 . 0 0 "[ . 1 . 2]" 2
43 1 29 THR H 1 31 HIS H . . 4.520 4.087 3.986 4.168 . 0 0 "[ . 1 . 2]" 2
44 1 31 HIS H 1 32 GLN H . . 3.310 2.575 2.461 2.663 . 0 0 "[ . 1 . 2]" 2
45 1 31 HIS H 1 31 HIS HD2 . . 4.400 4.399 4.345 4.419 0.019 12 0 "[ . 1 . 2]" 2
46 1 27 ASN HA 1 31 HIS H . . 5.000 4.776 4.656 4.904 . 0 0 "[ . 1 . 2]" 2
47 1 31 HIS H 1 31 HIS HB2 . . 3.110 3.018 2.995 3.078 . 0 0 "[ . 1 . 2]" 2
48 1 31 HIS H 1 31 HIS HB3 . . 3.100 2.172 2.166 2.182 . 0 0 "[ . 1 . 2]" 2
49 1 31 HIS H 1 32 GLN QG . . 4.280 3.819 3.639 3.946 . 0 0 "[ . 1 . 2]" 2
50 1 30 GLN H 1 32 GLN H . . 4.360 4.296 4.209 4.367 0.007 6 0 "[ . 1 . 2]" 2
51 1 28 LEU H 1 30 GLN H . . 4.200 3.986 3.864 4.092 . 0 0 "[ . 1 . 2]" 2
52 1 29 THR HB 1 30 GLN H . . 3.250 2.641 2.544 2.713 . 0 0 "[ . 1 . 2]" 2
53 1 28 LEU HA 1 30 GLN H . . 4.550 4.273 4.186 4.393 . 0 0 "[ . 1 . 2]" 2
54 1 30 GLN H 1 30 GLN HG2 . . 3.660 2.468 2.408 2.541 . 0 0 "[ . 1 . 2]" 2
55 1 30 GLN H 1 30 GLN QB . . 2.920 2.387 2.360 2.412 . 0 0 "[ . 1 . 2]" 2
56 1 13 TYR H 1 22 PHE H . . 3.930 3.852 3.801 3.887 . 0 0 "[ . 1 . 2]" 2
57 1 13 TYR H 1 13 TYR QD . . 3.340 2.144 2.060 2.202 . 0 0 "[ . 1 . 2]" 2
58 1 13 TYR H 1 13 TYR QE . . 4.310 3.953 3.879 3.998 . 0 0 "[ . 1 . 2]" 2
59 1 11 LYS HA 1 13 TYR H . . 4.250 3.720 3.659 3.826 . 0 0 "[ . 1 . 2]" 2
60 1 12 PRO HD2 1 13 TYR H . . 3.510 2.650 2.646 2.671 . 0 0 "[ . 1 . 2]" 2
61 1 13 TYR H 1 13 TYR HB3 . . 3.770 3.622 3.612 3.634 . 0 0 "[ . 1 . 2]" 2
62 1 13 TYR H 1 13 TYR HB2 . . 3.200 2.654 2.635 2.684 . 0 0 "[ . 1 . 2]" 2
63 1 13 TYR H 1 22 PHE HB2 . . 5.270 5.275 5.236 5.286 0.016 17 0 "[ . 1 . 2]" 2
64 1 12 PRO HB3 1 13 TYR H . . 4.320 4.102 4.021 4.136 . 0 0 "[ . 1 . 2]" 2
65 1 12 PRO HG3 1 13 TYR H . . 4.340 3.822 3.705 3.875 . 0 0 "[ . 1 . 2]" 2
66 1 12 PRO HG2 1 13 TYR H . . 3.860 2.290 2.133 2.360 . 0 0 "[ . 1 . 2]" 2
67 1 11 LYS HB3 1 13 TYR H . . 4.220 3.504 3.410 3.733 . 0 0 "[ . 1 . 2]" 2
68 1 12 PRO HB2 1 13 TYR H . . 3.940 3.267 3.127 3.326 . 0 0 "[ . 1 . 2]" 2
69 1 34 ILE H 1 35 HIS H . . 3.140 2.554 2.435 2.651 . 0 0 "[ . 1 . 2]" 2
70 1 35 HIS H 1 35 HIS HD2 . . 3.990 3.330 3.221 3.538 . 0 0 "[ . 1 . 2]" 2
71 1 33 ARG HA 1 35 HIS H . . 4.240 4.117 3.841 4.241 0.001 13 0 "[ . 1 . 2]" 2
72 1 32 GLN HA 1 35 HIS H . . 3.980 3.317 3.171 3.429 . 0 0 "[ . 1 . 2]" 2
73 1 35 HIS H 1 35 HIS HB3 . . 3.660 3.631 3.616 3.654 . 0 0 "[ . 1 . 2]" 2
74 1 35 HIS H 1 35 HIS HB2 . . 3.290 2.550 2.504 2.599 . 0 0 "[ . 1 . 2]" 2
75 1 34 ILE HB 1 35 HIS H . . 4.120 3.991 3.901 4.137 0.017 9 0 "[ . 1 . 2]" 2
76 1 34 ILE HG12 1 35 HIS H . . 4.300 2.335 2.207 2.552 . 0 0 "[ . 1 . 2]" 2
77 1 34 ILE HG13 1 35 HIS H . . 4.250 2.534 2.348 2.829 . 0 0 "[ . 1 . 2]" 2
78 1 34 ILE MG 1 35 HIS H . . 3.900 3.682 3.626 3.742 . 0 0 "[ . 1 . 2]" 2
79 1 34 ILE MD 1 35 HIS H . . 4.490 3.838 3.711 4.063 . 0 0 "[ . 1 . 2]" 2
80 1 33 ARG H 1 34 ILE H . . 3.310 2.720 2.620 2.827 . 0 0 "[ . 1 . 2]" 2
81 1 31 HIS H 1 33 ARG H . . 4.430 3.978 3.918 4.036 . 0 0 "[ . 1 . 2]" 2
82 1 30 GLN HA 1 33 ARG H . . 3.990 3.726 3.658 3.807 . 0 0 "[ . 1 . 2]" 2
83 1 32 GLN QG 1 33 ARG H . . 4.390 3.944 3.844 4.032 . 0 0 "[ . 1 . 2]" 2
84 1 32 GLN HB2 1 33 ARG H . . 3.950 2.948 2.795 3.118 . 0 0 "[ . 1 . 2]" 2
85 1 32 GLN HB3 1 33 ARG H . . 4.140 4.037 3.931 4.146 0.006 5 0 "[ . 1 . 2]" 2
86 1 33 ARG H 1 33 ARG HB2 . . 3.090 2.685 2.630 2.802 . 0 0 "[ . 1 . 2]" 2
87 1 33 ARG H 1 33 ARG HG2 . . 3.490 2.307 1.895 2.724 . 0 0 "[ . 1 . 2]" 2
88 1 22 PHE H 1 22 PHE QD . . 3.360 2.940 2.794 3.058 . 0 0 "[ . 1 . 2]" 2
89 1 21 ALA HA 1 22 PHE H . . 2.910 2.359 2.334 2.375 . 0 0 "[ . 1 . 2]" 2
90 1 13 TYR HB3 1 22 PHE H . . 4.670 4.575 4.396 4.673 0.003 2 0 "[ . 1 . 2]" 2
91 1 13 TYR HB2 1 22 PHE H . . 3.950 3.125 2.975 3.223 . 0 0 "[ . 1 . 2]" 2
92 1 22 PHE H 1 22 PHE HB2 . . 3.490 3.036 2.991 3.051 . 0 0 "[ . 1 . 2]" 2
93 1 11 LYS HB3 1 22 PHE H . . 3.890 2.251 2.143 2.389 . 0 0 "[ . 1 . 2]" 2
94 1 21 ALA MB 1 22 PHE H . . 3.270 2.473 2.426 2.574 . 0 0 "[ . 1 . 2]" 2
95 1 22 PHE H 1 22 PHE QE . . 5.050 4.946 4.853 5.035 . 0 0 "[ . 1 . 2]" 2
96 1 14 ARG HA 1 22 PHE H . . 3.870 3.764 3.716 3.834 . 0 0 "[ . 1 . 2]" 2
97 1 25 LYS QE 1 29 THR H . . 4.620 2.998 2.626 3.095 . 0 0 "[ . 1 . 2]" 2
98 1 29 THR H 1 30 GLN H . . 3.340 2.895 2.836 2.929 . 0 0 "[ . 1 . 2]" 2
99 1 28 LEU H 1 29 THR H . . 3.060 2.580 2.534 2.610 . 0 0 "[ . 1 . 2]" 2
100 1 29 THR H 1 29 THR HB . . 3.080 2.531 2.457 2.592 . 0 0 "[ . 1 . 2]" 2
101 1 26 ALA HA 1 29 THR H . . 3.930 3.877 3.779 3.940 0.010 16 0 "[ . 1 . 2]" 2
102 1 25 LYS HA 1 29 THR H . . 4.050 3.571 3.407 3.687 . 0 0 "[ . 1 . 2]" 2
103 1 28 LEU HB3 1 29 THR H . . 3.230 2.505 2.391 2.595 . 0 0 "[ . 1 . 2]" 2
104 1 28 LEU HG 1 29 THR H . . 3.930 2.858 2.746 2.956 . 0 0 "[ . 1 . 2]" 2
105 1 28 LEU MD2 1 29 THR H . . 3.890 3.662 3.608 3.741 . 0 0 "[ . 1 . 2]" 2
106 1 31 HIS HA 1 34 ILE H . . 4.210 3.828 3.714 3.942 . 0 0 "[ . 1 . 2]" 2
107 1 32 GLN HA 1 34 ILE H . . 4.230 3.567 3.408 3.705 . 0 0 "[ . 1 . 2]" 2
108 1 34 ILE H 1 35 HIS HB2 . . 5.500 4.893 4.818 5.007 . 0 0 "[ . 1 . 2]" 2
109 1 33 ARG HB3 1 34 ILE H . . 4.380 4.076 3.869 4.197 . 0 0 "[ . 1 . 2]" 2
110 1 33 ARG HB2 1 34 ILE H . . 3.940 3.030 2.826 3.219 . 0 0 "[ . 1 . 2]" 2
111 1 34 ILE H 1 34 ILE HB . . 3.620 3.604 3.580 3.630 0.010 11 0 "[ . 1 . 2]" 2
112 1 34 ILE H 1 34 ILE HG12 . . 3.560 2.450 2.344 2.585 . 0 0 "[ . 1 . 2]" 2
113 1 34 ILE H 1 34 ILE HG13 . . 3.840 3.589 3.480 3.746 . 0 0 "[ . 1 . 2]" 2
114 1 32 GLN H 1 33 ARG H . . 3.330 2.755 2.696 2.801 . 0 0 "[ . 1 . 2]" 2
115 1 31 HIS HD2 1 32 GLN H . . 3.990 2.918 2.724 3.089 . 0 0 "[ . 1 . 2]" 2
116 1 29 THR HA 1 32 GLN H . . 3.830 3.565 3.482 3.633 . 0 0 "[ . 1 . 2]" 2
117 1 31 HIS HB2 1 32 GLN H . . 4.210 4.061 4.005 4.129 . 0 0 "[ . 1 . 2]" 2
118 1 31 HIS HB3 1 32 GLN H . . 3.950 2.793 2.719 2.891 . 0 0 "[ . 1 . 2]" 2
119 1 32 GLN H 1 32 GLN QG . . 3.120 2.035 1.877 2.113 . 0 0 "[ . 1 . 2]" 2
120 1 32 GLN H 1 32 GLN HB2 . . 3.160 2.715 2.663 2.768 . 0 0 "[ . 1 . 2]" 2
121 1 18 CYS H 1 18 CYS HB3 . . 3.510 2.797 2.761 2.863 . 0 0 "[ . 1 . 2]" 2
122 1 17 GLU HG3 1 18 CYS H . . 4.760 3.865 3.515 4.673 . 0 0 "[ . 1 . 2]" 2
123 1 17 GLU QB 1 18 CYS H . . 3.140 1.965 1.907 2.214 . 0 0 "[ . 1 . 2]" 2
124 1 27 ASN H 1 29 THR H . . 4.500 4.256 4.135 4.400 . 0 0 "[ . 1 . 2]" 2
125 1 24 GLN H 1 27 ASN H . . 4.460 4.269 4.215 4.425 . 0 0 "[ . 1 . 2]" 2
126 1 27 ASN H 1 27 ASN HB2 . . 3.270 2.443 2.320 2.529 . 0 0 "[ . 1 . 2]" 2
127 1 27 ASN H 1 30 GLN HG2 . . 4.710 4.570 4.429 4.667 . 0 0 "[ . 1 . 2]" 2
128 1 24 GLN HB2 1 27 ASN H . . 3.870 3.399 3.253 3.561 . 0 0 "[ . 1 . 2]" 2
129 1 24 GLN HB3 1 27 ASN H . . 3.500 3.238 3.059 3.410 . 0 0 "[ . 1 . 2]" 2
130 1 26 ALA MB 1 27 ASN H . . 3.360 2.726 2.661 2.791 . 0 0 "[ . 1 . 2]" 2
131 1 18 CYS H 1 19 GLY H . . 2.860 2.304 2.232 2.350 . 0 0 "[ . 1 . 2]" 2
132 1 19 GLY H 1 19 GLY HA2 . . 2.920 2.472 2.461 2.481 . 0 0 "[ . 1 . 2]" 2
133 1 15 CYS HB3 1 19 GLY H . . 3.550 2.518 2.487 2.540 . 0 0 "[ . 1 . 2]" 2
134 1 17 GLU QB 1 19 GLY H . . 4.210 4.047 4.019 4.094 . 0 0 "[ . 1 . 2]" 2
135 1 18 CYS HB2 1 19 GLY H . . 4.590 3.657 3.641 3.686 . 0 0 "[ . 1 . 2]" 2
136 1 22 PHE QD 1 24 GLN H . . 4.920 4.735 4.525 4.826 . 0 0 "[ . 1 . 2]" 2
137 1 22 PHE HA 1 24 GLN H . . 4.380 4.042 3.891 4.159 . 0 0 "[ . 1 . 2]" 2
138 1 22 PHE HB3 1 24 GLN H . . 3.450 2.935 2.668 3.056 . 0 0 "[ . 1 . 2]" 2
139 1 24 GLN H 1 27 ASN HB2 . . 3.910 3.680 3.486 3.821 . 0 0 "[ . 1 . 2]" 2
140 1 24 GLN H 1 27 ASN HB3 . . 4.040 3.228 3.125 3.439 . 0 0 "[ . 1 . 2]" 2
141 1 22 PHE HB2 1 24 GLN H . . 3.860 3.703 3.360 3.830 . 0 0 "[ . 1 . 2]" 2
142 1 24 GLN H 1 24 GLN QG . . 3.740 3.611 3.377 3.742 0.002 9 0 "[ . 1 . 2]" 2
143 1 24 GLN H 1 24 GLN HB2 . . 3.910 2.479 2.439 2.558 . 0 0 "[ . 1 . 2]" 2
144 1 24 GLN H 1 24 GLN HB3 . . 3.860 3.650 3.580 3.703 . 0 0 "[ . 1 . 2]" 2
145 1 23 ALA MB 1 24 GLN H . . 3.330 2.740 2.643 2.963 . 0 0 "[ . 1 . 2]" 2
146 1 13 TYR QD 1 24 GLN H . . 4.850 4.375 4.206 4.489 . 0 0 "[ . 1 . 2]" 2
147 1 32 GLN HE22 1 32 GLN QG . . 3.690 3.218 3.216 3.232 . 0 0 "[ . 1 . 2]" 2
148 1 28 LEU MD1 1 32 GLN HE22 . . 3.940 3.464 3.162 3.676 . 0 0 "[ . 1 . 2]" 2
149 1 23 ALA MB 1 24 GLN HE21 . . 4.540 3.145 2.415 4.067 . 0 0 "[ . 1 . 2]" 2
150 1 25 LYS H 1 27 ASN H . . 4.240 4.073 3.948 4.164 . 0 0 "[ . 1 . 2]" 2
151 1 13 TYR QE 1 25 LYS H . . 4.360 3.971 3.770 4.299 . 0 0 "[ . 1 . 2]" 2
152 1 24 GLN HA 1 25 LYS H . . 3.230 2.292 2.217 2.427 . 0 0 "[ . 1 . 2]" 2
153 1 24 GLN HB2 1 25 LYS H . . 4.160 4.016 3.742 4.162 0.002 17 0 "[ . 1 . 2]" 2
154 1 25 LYS H 1 25 LYS HB3 . . 3.640 3.497 3.477 3.510 . 0 0 "[ . 1 . 2]" 2
155 1 25 LYS H 1 25 LYS HG3 . . 4.310 3.903 3.720 3.979 . 0 0 "[ . 1 . 2]" 2
156 1 25 LYS H 1 25 LYS HB2 . . 3.520 2.192 2.169 2.210 . 0 0 "[ . 1 . 2]" 2
157 1 35 HIS HB2 1 36 THR H . . 4.310 2.856 2.358 4.097 . 0 0 "[ . 1 . 2]" 2
158 1 36 THR H 1 36 THR MG . . 3.810 2.352 1.843 2.953 . 0 0 "[ . 1 . 2]" 2
159 1 33 ARG HA 1 36 THR H . . 4.490 3.599 3.194 4.292 . 0 0 "[ . 1 . 2]" 2
160 1 35 HIS HB3 1 36 THR H . . 4.620 3.848 3.554 4.508 . 0 0 "[ . 1 . 2]" 2
161 1 15 CYS H 1 22 PHE QE . . 4.340 3.589 3.394 3.739 . 0 0 "[ . 1 . 2]" 2
162 1 15 CYS H 1 20 LYS H . . 4.200 3.671 3.614 3.697 . 0 0 "[ . 1 . 2]" 2
163 1 15 CYS H 1 22 PHE QD . . 4.490 3.747 3.610 3.881 . 0 0 "[ . 1 . 2]" 2
164 1 15 CYS H 1 21 ALA HA . . 3.680 2.981 2.942 3.045 . 0 0 "[ . 1 . 2]" 2
165 1 14 ARG HA 1 15 CYS H . . 2.870 2.141 2.139 2.145 . 0 0 "[ . 1 . 2]" 2
166 1 15 CYS H 1 15 CYS HB3 . . 3.110 2.399 2.368 2.428 . 0 0 "[ . 1 . 2]" 2
167 1 15 CYS H 1 15 CYS HB2 . . 3.190 2.677 2.648 2.704 . 0 0 "[ . 1 . 2]" 2
168 1 14 ARG QB 1 15 CYS H . . 3.770 3.742 3.703 3.760 . 0 0 "[ . 1 . 2]" 2
169 1 14 ARG HG2 1 15 CYS H . . 4.010 3.260 3.149 3.344 . 0 0 "[ . 1 . 2]" 2
170 1 15 CYS H 1 20 LYS HB3 . . 4.030 3.979 3.921 4.017 . 0 0 "[ . 1 . 2]" 2
171 1 15 CYS H 1 28 LEU MD1 . . 3.670 2.811 2.656 2.900 . 0 0 "[ . 1 . 2]" 2
172 1 36 THR HB 1 37 GLY H . . 4.830 3.564 2.615 4.473 . 0 0 "[ . 1 . 2]" 2
173 1 22 PHE QD 1 28 LEU H . . 4.250 4.180 4.102 4.234 . 0 0 "[ . 1 . 2]" 2
174 1 15 CYS HB3 1 17 GLU H . . 4.510 4.488 4.458 4.519 0.009 13 0 "[ . 1 . 2]" 2
175 1 15 CYS HB2 1 17 GLU H . . 4.770 4.608 4.587 4.621 . 0 0 "[ . 1 . 2]" 2
176 1 15 CYS H 1 19 GLY H . . 4.570 4.553 4.510 4.581 0.011 18 0 "[ . 1 . 2]" 2
177 1 38 GLU H 1 39 LYS H . . 4.780 4.013 2.267 4.624 . 0 0 "[ . 1 . 2]" 2
178 1 39 LYS H 1 39 LYS QG . . 4.560 2.867 1.937 4.177 . 0 0 "[ . 1 . 2]" 2
179 1 13 TYR H 1 21 ALA HA . . 5.500 5.334 5.279 5.372 . 0 0 "[ . 1 . 2]" 2
180 1 14 ARG H 1 21 ALA HA . . 4.740 4.561 4.513 4.601 . 0 0 "[ . 1 . 2]" 2
181 1 14 ARG H 1 14 ARG QD . . 4.970 4.893 4.728 4.988 0.018 4 0 "[ . 1 . 2]" 2
182 1 15 CYS H 1 31 HIS HD2 . . 5.470 5.170 5.029 5.284 . 0 0 "[ . 1 . 2]" 2
183 1 16 GLY H 1 17 GLU H . . 4.930 2.179 2.156 2.205 . 0 0 "[ . 1 . 2]" 2
184 1 17 GLU H 1 35 HIS HD2 . . 4.890 4.309 4.074 4.439 . 0 0 "[ . 1 . 2]" 2
185 1 17 GLU H 1 18 CYS HA . . 5.460 5.396 5.360 5.408 . 0 0 "[ . 1 . 2]" 2
186 1 17 GLU HG2 1 18 CYS H . . 4.760 4.363 4.189 4.566 . 0 0 "[ . 1 . 2]" 2
187 1 19 GLY H 1 20 LYS H . . 3.430 1.928 1.908 1.953 . 0 0 "[ . 1 . 2]" 2
188 1 19 GLY H 1 20 LYS HB2 . . 4.650 3.782 3.759 3.804 . 0 0 "[ . 1 . 2]" 2
189 1 20 LYS H 1 22 PHE QE . . 4.840 4.561 4.410 4.644 . 0 0 "[ . 1 . 2]" 2
190 1 18 CYS HA 1 20 LYS H . . 5.030 4.945 4.914 4.963 . 0 0 "[ . 1 . 2]" 2
191 1 14 ARG HA 1 20 LYS H . . 5.460 5.276 5.235 5.328 . 0 0 "[ . 1 . 2]" 2
192 1 21 ALA H 1 22 PHE H . . 4.660 4.391 4.373 4.408 . 0 0 "[ . 1 . 2]" 2
193 1 14 ARG HA 1 21 ALA H . . 4.620 4.442 4.414 4.472 . 0 0 "[ . 1 . 2]" 2
194 1 15 CYS H 1 22 PHE H . . 5.100 4.979 4.900 5.064 . 0 0 "[ . 1 . 2]" 2
195 1 23 ALA H 1 24 GLN H . . 4.820 2.631 2.512 2.753 . 0 0 "[ . 1 . 2]" 2
196 1 22 PHE H 1 24 GLN H . . 5.480 5.353 5.077 5.477 . 0 0 "[ . 1 . 2]" 2
197 1 13 TYR QE 1 24 GLN H . . 5.500 5.057 4.871 5.179 . 0 0 "[ . 1 . 2]" 2
198 1 11 LYS HB3 1 24 GLN H . . 5.260 5.185 5.050 5.260 . 13 0 "[ . 1 . 2]" 2
199 1 25 LYS H 1 26 ALA MB . . 4.880 4.316 4.138 4.408 . 0 0 "[ . 1 . 2]" 2
200 1 24 GLN HB3 1 25 LYS H . . 4.490 2.765 2.383 2.986 . 0 0 "[ . 1 . 2]" 2
201 1 24 GLN QG 1 25 LYS H . . 4.550 3.572 3.327 3.742 . 0 0 "[ . 1 . 2]" 2
202 1 25 LYS H 1 25 LYS QE . . 4.840 4.698 4.183 4.842 0.002 7 0 "[ . 1 . 2]" 2
203 1 24 GLN H 1 25 LYS H . . 5.050 4.473 4.441 4.503 . 0 0 "[ . 1 . 2]" 2
204 1 22 PHE QD 1 27 ASN H . . 5.280 5.173 5.075 5.218 . 0 0 "[ . 1 . 2]" 2
205 1 22 PHE HB3 1 27 ASN H . . 4.690 4.361 4.292 4.554 . 0 0 "[ . 1 . 2]" 2
206 1 27 ASN H 1 28 LEU HA . . 5.290 5.104 5.035 5.191 . 0 0 "[ . 1 . 2]" 2
207 1 27 ASN H 1 27 ASN HB3 . . 3.450 2.691 2.606 2.847 . 0 0 "[ . 1 . 2]" 2
208 1 27 ASN H 1 28 LEU HB2 . . 5.500 5.219 5.129 5.310 . 0 0 "[ . 1 . 2]" 2
209 1 25 LYS HB3 1 27 ASN H . . 5.080 4.933 4.878 5.005 . 0 0 "[ . 1 . 2]" 2
210 1 26 ALA HA 1 28 LEU H . . 4.520 4.342 4.236 4.399 . 0 0 "[ . 1 . 2]" 2
211 1 28 LEU H 1 29 THR HA . . 5.320 5.169 5.130 5.194 . 0 0 "[ . 1 . 2]" 2
212 1 24 GLN H 1 28 LEU H . . 5.010 4.882 4.668 4.945 . 0 0 "[ . 1 . 2]" 2
213 1 30 GLN H 1 31 HIS HA . . 5.270 5.160 5.097 5.207 . 0 0 "[ . 1 . 2]" 2
214 1 30 GLN H 1 31 HIS HB3 . . 4.550 4.450 4.390 4.505 . 0 0 "[ . 1 . 2]" 2
215 1 25 LYS QE 1 30 GLN H . . 5.500 5.473 5.176 5.512 0.012 18 0 "[ . 1 . 2]" 2
216 1 28 LEU H 1 31 HIS H . . 4.940 4.675 4.623 4.739 . 0 0 "[ . 1 . 2]" 2
217 1 22 PHE QE 1 31 HIS H . . 5.150 4.890 4.631 5.072 . 0 0 "[ . 1 . 2]" 2
218 1 22 PHE HZ 1 31 HIS H . . 5.430 5.101 4.912 5.306 . 0 0 "[ . 1 . 2]" 2
219 1 31 HIS H 1 32 GLN HA . . 5.390 5.178 5.079 5.254 . 0 0 "[ . 1 . 2]" 2
220 1 29 THR MG 1 31 HIS H . . 4.850 4.729 4.606 4.820 . 0 0 "[ . 1 . 2]" 2
221 1 31 HIS H 1 34 ILE MG . . 5.050 4.962 4.850 5.073 0.023 19 0 "[ . 1 . 2]" 2
222 1 32 GLN H 1 35 HIS HD2 . . 5.040 4.836 4.647 4.944 . 0 0 "[ . 1 . 2]" 2
223 1 32 GLN H 1 34 ILE H . . 4.730 4.330 4.272 4.447 . 0 0 "[ . 1 . 2]" 2
224 1 30 GLN QB 1 32 GLN H . . 5.420 5.319 5.184 5.403 . 0 0 "[ . 1 . 2]" 2
225 1 32 GLN H 1 33 ARG HB2 . . 5.500 5.189 5.072 5.315 . 0 0 "[ . 1 . 2]" 2
226 1 28 LEU HG 1 32 GLN H . . 4.980 4.236 4.128 4.366 . 0 0 "[ . 1 . 2]" 2
227 1 33 ARG H 1 33 ARG HB3 . . 3.690 3.580 3.557 3.593 . 0 0 "[ . 1 . 2]" 2
228 1 34 ILE H 1 35 HIS HD2 . . 4.890 4.750 4.516 4.898 0.008 19 0 "[ . 1 . 2]" 2
229 1 34 ILE H 1 35 HIS HA . . 5.440 5.201 5.106 5.278 . 0 0 "[ . 1 . 2]" 2
230 1 32 GLN QG 1 34 ILE H . . 5.390 5.284 5.217 5.396 0.006 15 0 "[ . 1 . 2]" 2
231 1 35 HIS H 1 36 THR MG . . 4.520 3.859 3.385 4.310 . 0 0 "[ . 1 . 2]" 2
232 1 35 HIS H 1 36 THR HA . . 5.290 5.107 5.016 5.171 . 0 0 "[ . 1 . 2]" 2
233 1 35 HIS H 1 36 THR H . . 3.600 2.567 2.356 2.937 . 0 0 "[ . 1 . 2]" 2
234 1 36 THR H 1 37 GLY H . . 4.790 4.045 2.437 4.632 . 0 0 "[ . 1 . 2]" 2
235 1 34 ILE HA 1 36 THR H . . 4.940 4.495 3.445 4.944 0.004 9 0 "[ . 1 . 2]" 2
236 1 11 LYS H 1 11 LYS HG2 . . 4.900 4.013 3.888 4.152 . 0 0 "[ . 1 . 2]" 2
237 1 10 GLU HB3 1 11 LYS H . . 5.050 2.289 2.137 2.587 . 0 0 "[ . 1 . 2]" 2
238 1 10 GLU HB2 1 11 LYS H . . 5.050 3.658 3.398 3.932 . 0 0 "[ . 1 . 2]" 2
239 1 28 LEU HG 1 32 GLN HE22 . . 4.800 3.716 3.517 4.212 . 0 0 "[ . 1 . 2]" 2
240 1 32 GLN HB3 1 32 GLN HE22 . . 5.030 4.442 4.116 4.530 . 0 0 "[ . 1 . 2]" 2
241 1 32 GLN HB2 1 32 GLN HE22 . . 4.880 4.811 4.729 4.881 0.001 16 0 "[ . 1 . 2]" 2
242 1 15 CYS HA 1 32 GLN HE22 . . 4.700 4.358 3.762 4.606 . 0 0 "[ . 1 . 2]" 2
243 1 11 LYS HA 1 23 ALA MB . . 3.980 3.614 3.439 3.720 . 0 0 "[ . 1 . 2]" 2
244 1 11 LYS QE 1 23 ALA MB . . 3.740 3.200 2.789 3.669 . 0 0 "[ . 1 . 2]" 2
245 1 11 LYS HG2 1 23 ALA MB . . 3.580 2.657 2.411 2.795 . 0 0 "[ . 1 . 2]" 2
246 1 39 LYS HB3 1 40 PRO HD2 . . 4.810 3.102 2.027 3.812 . 0 0 "[ . 1 . 2]" 2
247 1 12 PRO HD3 1 13 TYR QD . . 4.410 4.371 4.290 4.411 0.001 18 0 "[ . 1 . 2]" 2
248 1 12 PRO HD2 1 13 TYR QD . . 3.860 2.753 2.683 2.833 . 0 0 "[ . 1 . 2]" 2
249 1 12 PRO HD2 1 23 ALA MB . . 4.050 4.033 3.797 4.057 0.007 4 0 "[ . 1 . 2]" 2
250 1 12 PRO HD3 1 23 ALA MB . . 4.780 4.708 4.415 4.775 . 0 0 "[ . 1 . 2]" 2
251 1 11 LYS HG2 1 12 PRO HD2 . . 4.590 4.260 4.105 4.345 . 0 0 "[ . 1 . 2]" 2
252 1 12 PRO HD3 1 13 TYR H . . 3.880 3.836 3.835 3.841 . 0 0 "[ . 1 . 2]" 2
253 1 12 PRO HD3 1 23 ALA HA . . 4.090 3.802 3.542 3.927 . 0 0 "[ . 1 . 2]" 2
254 1 11 LYS HA 1 12 PRO HD3 . . 3.260 2.403 2.362 2.416 . 0 0 "[ . 1 . 2]" 2
255 1 26 ALA MB 1 30 GLN HG2 . . 5.380 4.868 4.598 4.963 . 0 0 "[ . 1 . 2]" 2
256 1 26 ALA MB 1 29 THR HB . . 4.560 4.427 4.360 4.503 . 0 0 "[ . 1 . 2]" 2
257 1 24 GLN HB3 1 26 ALA MB . . 3.850 3.270 3.102 3.457 . 0 0 "[ . 1 . 2]" 2
258 1 25 LYS HB2 1 26 ALA MB . . 4.380 4.234 4.164 4.290 . 0 0 "[ . 1 . 2]" 2
259 1 42 GLY HA2 1 43 PRO QD . . 3.360 2.474 1.903 3.359 . 0 0 "[ . 1 . 2]" 2
260 1 42 GLY HA3 1 43 PRO QD . . 3.360 2.353 1.948 3.380 0.020 10 0 "[ . 1 . 2]" 2
261 1 33 ARG H 1 34 ILE MG . . 4.260 3.734 3.584 3.867 . 0 0 "[ . 1 . 2]" 2
262 1 33 ARG HB3 1 34 ILE MG . . 4.620 4.477 4.235 4.577 . 0 0 "[ . 1 . 2]" 2
263 1 31 HIS HE1 1 34 ILE MG . . 4.300 4.092 3.991 4.294 . 0 0 "[ . 1 . 2]" 2
264 1 34 ILE H 1 34 ILE MG . . 3.110 1.904 1.853 1.994 . 0 0 "[ . 1 . 2]" 2
265 1 31 HIS HA 1 34 ILE MG . . 3.960 2.738 2.595 2.848 . 0 0 "[ . 1 . 2]" 2
266 1 34 ILE HA 1 34 ILE MG . . 2.980 2.534 2.521 2.548 . 0 0 "[ . 1 . 2]" 2
267 1 31 HIS HB2 1 34 ILE MG . . 4.260 4.054 3.879 4.204 . 0 0 "[ . 1 . 2]" 2
268 1 33 ARG HB2 1 34 ILE MG . . 4.090 3.202 3.068 3.274 . 0 0 "[ . 1 . 2]" 2
269 1 31 HIS HE1 1 34 ILE MD . . 3.270 2.254 2.104 2.589 . 0 0 "[ . 1 . 2]" 2
270 1 34 ILE H 1 34 ILE MD . . 3.890 3.770 3.731 3.785 . 0 0 "[ . 1 . 2]" 2
271 1 34 ILE HA 1 34 ILE MD . . 4.240 4.157 4.153 4.162 . 0 0 "[ . 1 . 2]" 2
272 1 34 ILE HB 1 34 ILE MD . . 3.050 2.373 2.340 2.424 . 0 0 "[ . 1 . 2]" 2
273 1 34 ILE MD 1 34 ILE MG . . 2.820 1.937 1.918 1.981 . 0 0 "[ . 1 . 2]" 2
274 1 18 CYS H 1 19 GLY HA3 . . 5.220 4.943 4.880 4.976 . 0 0 "[ . 1 . 2]" 2
275 1 14 ARG HG2 1 19 GLY HA3 . . 4.360 3.935 3.902 3.960 . 0 0 "[ . 1 . 2]" 2
276 1 18 CYS H 1 19 GLY HA2 . . 4.610 4.526 4.449 4.564 . 0 0 "[ . 1 . 2]" 2
277 1 14 ARG HG2 1 19 GLY HA2 . . 4.130 3.041 3.020 3.071 . 0 0 "[ . 1 . 2]" 2
278 1 22 PHE H 1 22 PHE HB3 . . 4.060 3.993 3.971 3.999 . 0 0 "[ . 1 . 2]" 2
279 1 22 PHE HB3 1 28 LEU H . . 4.190 3.685 3.500 3.818 . 0 0 "[ . 1 . 2]" 2
280 1 22 PHE HB3 1 27 ASN HB2 . . 3.810 3.577 3.438 3.659 . 0 0 "[ . 1 . 2]" 2
281 1 22 PHE HB3 1 27 ASN HB3 . . 3.680 2.009 1.994 2.078 . 0 0 "[ . 1 . 2]" 2
282 1 22 PHE HB3 1 28 LEU HB2 . . 4.160 3.734 3.519 3.959 . 0 0 "[ . 1 . 2]" 2
283 1 22 PHE HB2 1 28 LEU H . . 4.250 3.379 3.264 3.448 . 0 0 "[ . 1 . 2]" 2
284 1 22 PHE HB2 1 25 LYS HA . . 5.150 4.221 4.096 4.407 . 0 0 "[ . 1 . 2]" 2
285 1 13 TYR HB2 1 22 PHE HB2 . . 3.950 3.252 3.134 3.354 . 0 0 "[ . 1 . 2]" 2
286 1 22 PHE HB2 1 27 ASN HB3 . . 4.190 3.167 3.040 3.322 . 0 0 "[ . 1 . 2]" 2
287 1 22 PHE HB2 1 28 LEU HB2 . . 3.940 2.307 2.099 2.501 . 0 0 "[ . 1 . 2]" 2
288 1 33 ARG H 1 33 ARG QD . . 4.040 3.749 3.102 4.049 0.009 9 0 "[ . 1 . 2]" 2
289 1 30 GLN HA 1 33 ARG QD . . 3.600 3.168 2.550 3.608 0.008 6 0 "[ . 1 . 2]" 2
290 1 14 ARG QD 1 21 ALA MB . . 3.940 3.513 3.247 3.827 . 0 0 "[ . 1 . 2]" 2
291 1 14 ARG QB 1 14 ARG QD . . 3.330 2.207 2.097 2.287 . 0 0 "[ . 1 . 2]" 2
292 1 11 LYS QE 1 11 LYS HG3 . . 3.210 2.692 2.348 3.074 . 0 0 "[ . 1 . 2]" 2
293 1 11 LYS QE 1 21 ALA MB . . 4.070 3.925 3.678 4.093 0.023 17 0 "[ . 1 . 2]" 2
294 1 11 LYS QE 1 11 LYS HG2 . . 3.400 2.268 2.117 2.445 . 0 0 "[ . 1 . 2]" 2
295 1 20 LYS HE3 1 20 LYS HG3 . . 4.010 3.387 2.490 3.828 . 0 0 "[ . 1 . 2]" 2
296 1 20 LYS HB3 1 20 LYS HE3 . . 4.840 3.998 2.880 4.565 . 0 0 "[ . 1 . 2]" 2
297 1 20 LYS HE3 1 20 LYS HG2 . . 3.670 2.749 2.137 3.671 0.001 2 0 "[ . 1 . 2]" 2
298 1 25 LYS HB3 1 25 LYS QE . . 3.430 1.996 1.920 2.388 . 0 0 "[ . 1 . 2]" 2
299 1 20 LYS HE2 1 20 LYS HG2 . . 3.670 3.037 2.517 3.610 . 0 0 "[ . 1 . 2]" 2
300 1 25 LYS QE 1 25 LYS HG3 . . 3.600 2.812 2.391 3.306 . 0 0 "[ . 1 . 2]" 2
301 1 13 TYR QE 1 25 LYS QE . . 5.220 4.850 3.933 5.079 . 0 0 "[ . 1 . 2]" 2
302 1 25 LYS QE 1 28 LEU MD2 . . 3.530 2.490 1.954 2.999 . 0 0 "[ . 1 . 2]" 2
303 1 25 LYS HA 1 28 LEU HB3 . . 3.520 2.400 2.328 2.541 . 0 0 "[ . 1 . 2]" 2
304 1 25 LYS QE 1 28 LEU HB3 . . 4.920 3.280 2.578 3.497 . 0 0 "[ . 1 . 2]" 2
305 1 28 LEU HB2 1 29 THR H . . 4.070 3.884 3.809 3.947 . 0 0 "[ . 1 . 2]" 2
306 1 22 PHE QD 1 27 ASN HB2 . . 4.080 3.959 3.878 4.083 0.003 9 0 "[ . 1 . 2]" 2
307 1 13 TYR HB2 1 28 LEU HB3 . . 4.100 4.062 3.946 4.104 0.004 13 0 "[ . 1 . 2]" 2
308 1 13 TYR HB3 1 28 LEU HB3 . . 4.400 3.982 3.754 4.104 . 0 0 "[ . 1 . 2]" 2
309 1 13 TYR HB3 1 28 LEU HB2 . . 4.030 3.907 3.770 4.000 . 0 0 "[ . 1 . 2]" 2
310 1 13 TYR HB3 1 22 PHE HB2 . . 4.830 4.498 4.307 4.645 . 0 0 "[ . 1 . 2]" 2
311 1 13 TYR HB2 1 28 LEU HB2 . . 3.980 3.595 3.491 3.647 . 0 0 "[ . 1 . 2]" 2
312 1 13 TYR HB2 1 28 LEU MD2 . . 3.450 2.825 2.639 2.926 . 0 0 "[ . 1 . 2]" 2
313 1 33 ARG HA 1 36 THR HB . . 4.590 4.409 4.137 4.620 0.030 9 0 "[ . 1 . 2]" 2
314 1 17 GLU H 1 17 GLU HG3 . . 4.640 4.533 4.230 4.603 . 0 0 "[ . 1 . 2]" 2
315 1 31 HIS HD2 1 32 GLN QG . . 3.520 2.369 2.108 2.544 . 0 0 "[ . 1 . 2]" 2
316 1 32 GLN QG 1 35 HIS HD2 . . 4.000 3.673 3.498 3.822 . 0 0 "[ . 1 . 2]" 2
317 1 28 LEU HA 1 32 GLN QG . . 4.440 4.254 4.168 4.331 . 0 0 "[ . 1 . 2]" 2
318 1 28 LEU HG 1 32 GLN QG . . 3.820 2.774 2.642 2.910 . 0 0 "[ . 1 . 2]" 2
319 1 17 GLU H 1 17 GLU HG2 . . 4.640 4.467 3.686 4.603 . 0 0 "[ . 1 . 2]" 2
320 1 29 THR HA 1 32 GLN HB3 . . 4.970 4.761 4.668 4.854 . 0 0 "[ . 1 . 2]" 2
321 1 29 THR HA 1 32 GLN QG . . 3.970 2.340 2.157 2.440 . 0 0 "[ . 1 . 2]" 2
322 1 29 THR HA 1 32 GLN HB2 . . 3.760 3.464 3.325 3.632 . 0 0 "[ . 1 . 2]" 2
323 1 28 LEU HG 1 29 THR HA . . 4.050 3.000 2.955 3.031 . 0 0 "[ . 1 . 2]" 2
324 1 30 GLN HG3 1 31 HIS H . . 4.520 2.427 2.260 2.682 . 0 0 "[ . 1 . 2]" 2
325 1 30 GLN HA 1 30 GLN HG2 . . 3.960 3.912 3.836 3.967 0.007 18 0 "[ . 1 . 2]" 2
326 1 30 GLN H 1 30 GLN HG3 . . 3.850 3.270 3.112 3.475 . 0 0 "[ . 1 . 2]" 2
327 1 30 GLN HA 1 30 GLN HG3 . . 3.740 3.599 3.574 3.642 . 0 0 "[ . 1 . 2]" 2
328 1 20 LYS HB2 1 22 PHE QE . . 4.040 2.740 2.662 2.797 . 0 0 "[ . 1 . 2]" 2
329 1 15 CYS HB2 1 20 LYS HB2 . . 4.250 2.916 2.855 2.982 . 0 0 "[ . 1 . 2]" 2
330 1 20 LYS H 1 20 LYS HB3 . . 3.610 3.480 3.476 3.484 . 0 0 "[ . 1 . 2]" 2
331 1 20 LYS HB3 1 22 PHE QE . . 3.900 2.248 2.145 2.291 . 0 0 "[ . 1 . 2]" 2
332 1 15 CYS HB2 1 20 LYS HB3 . . 4.390 3.962 3.879 4.036 . 0 0 "[ . 1 . 2]" 2
333 1 20 LYS HB3 1 20 LYS HE2 . . 4.840 3.759 2.082 4.526 . 0 0 "[ . 1 . 2]" 2
334 1 20 LYS HB3 1 20 LYS HG3 . . 2.990 2.967 2.962 2.974 . 0 0 "[ . 1 . 2]" 2
335 1 23 ALA MB 1 24 GLN QG . . 3.710 3.490 3.001 3.705 . 0 0 "[ . 1 . 2]" 2
336 1 24 GLN QG 1 27 ASN H . . 5.090 4.944 4.843 5.038 . 0 0 "[ . 1 . 2]" 2
337 1 24 GLN QG 1 26 ALA MB . . 4.730 4.402 4.270 4.732 0.002 16 0 "[ . 1 . 2]" 2
338 1 11 LYS HB2 1 11 LYS QE . . 4.420 3.962 3.893 4.038 . 0 0 "[ . 1 . 2]" 2
339 1 11 LYS HB3 1 11 LYS QE . . 4.100 3.908 3.700 4.151 0.051 12 0 "[ . 1 . 2]" 2
340 1 11 LYS HB3 1 21 ALA MB . . 3.420 2.724 2.590 2.871 . 0 0 "[ . 1 . 2]" 2
341 1 14 ARG QB 1 21 ALA MB . . 3.700 3.437 3.280 3.525 . 0 0 "[ . 1 . 2]" 2
342 1 18 CYS HB3 1 19 GLY H . . 4.370 3.877 3.859 3.895 . 0 0 "[ . 1 . 2]" 2
343 1 18 CYS HA 1 18 CYS HB3 . . 2.980 2.448 2.443 2.454 . 0 0 "[ . 1 . 2]" 2
344 1 18 CYS HB2 1 35 HIS HE1 . . 3.970 3.914 3.809 3.977 0.007 19 0 "[ . 1 . 2]" 2
345 1 18 CYS H 1 18 CYS HB2 . . 3.760 3.652 3.643 3.670 . 0 0 "[ . 1 . 2]" 2
346 1 25 LYS HB2 1 25 LYS QE . . 4.310 3.432 3.251 3.555 . 0 0 "[ . 1 . 2]" 2
347 1 25 LYS HB2 1 25 LYS HG3 . . 2.990 2.376 2.258 2.408 . 0 0 "[ . 1 . 2]" 2
348 1 24 GLN HB2 1 26 ALA MB . . 4.360 4.056 3.881 4.355 . 0 0 "[ . 1 . 2]" 2
349 1 24 GLN HB3 1 27 ASN HB2 . . 4.430 4.063 3.648 4.315 . 0 0 "[ . 1 . 2]" 2
350 1 34 ILE HA 1 34 ILE HB . . 2.940 2.342 2.316 2.354 . 0 0 "[ . 1 . 2]" 2
351 1 34 ILE HA 1 34 ILE HG12 . . 3.860 3.782 3.765 3.796 . 0 0 "[ . 1 . 2]" 2
352 1 36 THR HA 1 36 THR MG . . 3.150 2.439 2.279 3.197 0.047 9 0 "[ . 1 . 2]" 2
353 1 33 ARG HB3 1 33 ARG QD . . 3.750 2.334 2.061 2.734 . 0 0 "[ . 1 . 2]" 2
354 1 33 ARG HB2 1 33 ARG QD . . 3.740 3.039 2.553 3.445 . 0 0 "[ . 1 . 2]" 2
355 1 8 THR HA 1 8 THR MG . . 3.400 2.383 2.154 3.206 . 0 0 "[ . 1 . 2]" 2
356 1 15 CYS HB2 1 17 GLU QB . . 5.380 4.971 4.865 5.007 . 0 0 "[ . 1 . 2]" 2
357 1 17 GLU QB 1 18 CYS HB2 . . 5.500 4.902 4.875 4.966 . 0 0 "[ . 1 . 2]" 2
358 1 15 CYS HB3 1 18 CYS H . . 3.900 3.883 3.778 3.908 0.008 16 0 "[ . 1 . 2]" 2
359 1 15 CYS HB3 1 22 PHE QE . . 4.070 3.733 3.536 3.864 . 0 0 "[ . 1 . 2]" 2
360 1 15 CYS HB3 1 20 LYS HB2 . . 4.190 2.370 2.318 2.403 . 0 0 "[ . 1 . 2]" 2
361 1 15 CYS HB3 1 20 LYS HB3 . . 4.210 3.667 3.617 3.722 . 0 0 "[ . 1 . 2]" 2
362 1 15 CYS HB2 1 19 GLY H . . 4.260 4.019 3.996 4.033 . 0 0 "[ . 1 . 2]" 2
363 1 15 CYS HB2 1 31 HIS HD2 . . 3.280 2.696 2.594 2.779 . 0 0 "[ . 1 . 2]" 2
364 1 15 CYS HB2 1 22 PHE QE . . 3.700 2.990 2.796 3.123 . 0 0 "[ . 1 . 2]" 2
365 1 11 LYS HB3 1 11 LYS HD3 . . 3.060 2.712 2.612 2.804 . 0 0 "[ . 1 . 2]" 2
366 1 17 GLU QB 1 35 HIS HD2 . . 3.920 2.705 2.402 2.853 . 0 0 "[ . 1 . 2]" 2
367 1 11 LYS HD2 1 11 LYS HG3 . . 2.900 2.369 2.301 2.464 . 0 0 "[ . 1 . 2]" 2
368 1 11 LYS HD3 1 21 ALA MB . . 3.780 2.418 2.068 2.653 . 0 0 "[ . 1 . 2]" 2
369 1 20 LYS HB3 1 20 LYS HD3 . . 3.740 2.268 2.094 2.544 . 0 0 "[ . 1 . 2]" 2
370 1 20 LYS HA 1 20 LYS HD3 . . 4.890 4.102 3.933 4.458 . 0 0 "[ . 1 . 2]" 2
371 1 20 LYS HD3 1 22 PHE HZ . . 4.190 2.322 2.021 2.732 . 0 0 "[ . 1 . 2]" 2
372 1 20 LYS HA 1 20 LYS HD2 . . 4.890 4.598 4.538 4.654 . 0 0 "[ . 1 . 2]" 2
373 1 20 LYS HB3 1 20 LYS HD2 . . 3.740 3.117 2.738 3.592 . 0 0 "[ . 1 . 2]" 2
374 1 13 TYR QE 1 25 LYS HD3 . . 4.420 3.260 3.013 4.414 . 0 0 "[ . 1 . 2]" 2
375 1 22 PHE HZ 1 31 HIS HB2 . . 4.280 2.483 2.324 2.618 . 0 0 "[ . 1 . 2]" 2
376 1 22 PHE QE 1 31 HIS HB2 . . 4.270 3.074 2.709 3.237 . 0 0 "[ . 1 . 2]" 2
377 1 28 LEU MD1 1 31 HIS HB2 . . 4.290 4.168 4.096 4.270 . 0 0 "[ . 1 . 2]" 2
378 1 22 PHE QE 1 31 HIS HB3 . . 4.180 3.374 3.289 3.464 . 0 0 "[ . 1 . 2]" 2
379 1 35 HIS HB3 1 35 HIS HD2 . . 3.870 3.690 3.655 3.729 . 0 0 "[ . 1 . 2]" 2
380 1 35 HIS HB2 1 35 HIS HD2 . . 3.740 2.691 2.689 2.694 . 0 0 "[ . 1 . 2]" 2
381 1 30 GLN QB 1 31 HIS H . . 3.710 3.559 3.515 3.642 . 0 0 "[ . 1 . 2]" 2
382 1 32 GLN H 1 32 GLN HB3 . . 3.700 3.577 3.569 3.584 . 0 0 "[ . 1 . 2]" 2
383 1 15 CYS HA 1 31 HIS HD2 . . 4.620 4.439 4.369 4.495 . 0 0 "[ . 1 . 2]" 2
384 1 15 CYS HA 1 28 LEU MD1 . . 3.110 2.461 2.303 2.593 . 0 0 "[ . 1 . 2]" 2
385 1 33 ARG H 1 33 ARG HG3 . . 3.490 2.692 2.011 3.451 . 0 0 "[ . 1 . 2]" 2
386 1 33 ARG HA 1 33 ARG HG3 . . 4.010 3.646 3.467 3.853 . 0 0 "[ . 1 . 2]" 2
387 1 33 ARG HA 1 33 ARG HG2 . . 4.010 2.765 2.465 3.170 . 0 0 "[ . 1 . 2]" 2
388 1 30 GLN HA 1 33 ARG HG2 . . 4.220 2.993 2.299 3.550 . 0 0 "[ . 1 . 2]" 2
389 1 28 LEU HG 1 32 GLN HE21 . . 4.800 2.354 1.946 3.739 . 0 0 "[ . 1 . 2]" 2
390 1 14 ARG HG3 1 21 ALA MB . . 3.700 2.041 1.985 2.170 . 0 0 "[ . 1 . 2]" 2
391 1 14 ARG HG3 1 15 CYS H . . 4.430 3.658 3.507 3.736 . 0 0 "[ . 1 . 2]" 2
392 1 14 ARG HA 1 14 ARG HG2 . . 4.200 2.852 2.791 2.937 . 0 0 "[ . 1 . 2]" 2
393 1 14 ARG HG2 1 21 ALA MB . . 3.670 3.578 3.531 3.652 . 0 0 "[ . 1 . 2]" 2
394 1 25 LYS HA 1 25 LYS QE . . 3.780 2.811 1.902 3.007 . 0 0 "[ . 1 . 2]" 2
395 1 25 LYS HA 1 28 LEU HB2 . . 3.990 3.801 3.734 3.996 0.006 16 0 "[ . 1 . 2]" 2
396 1 25 LYS HA 1 25 LYS HG3 . . 3.710 3.634 3.599 3.642 . 0 0 "[ . 1 . 2]" 2
397 1 25 LYS HA 1 25 LYS HG2 . . 3.520 2.652 2.348 2.735 . 0 0 "[ . 1 . 2]" 2
398 1 25 LYS HA 1 28 LEU HG . . 4.930 4.512 4.411 4.590 . 0 0 "[ . 1 . 2]" 2
399 1 28 LEU HG 1 31 HIS HB3 . . 5.330 4.449 4.375 4.520 . 0 0 "[ . 1 . 2]" 2
400 1 31 HIS HD2 1 32 GLN HA . . 3.700 2.983 2.885 3.142 . 0 0 "[ . 1 . 2]" 2
401 1 32 GLN HA 1 35 HIS HD2 . . 3.260 2.194 2.006 2.296 . 0 0 "[ . 1 . 2]" 2
402 1 32 GLN HA 1 35 HIS HB2 . . 4.190 3.690 3.310 3.820 . 0 0 "[ . 1 . 2]" 2
403 1 32 GLN HA 1 32 GLN QG . . 3.230 2.481 2.442 2.538 . 0 0 "[ . 1 . 2]" 2
404 1 31 HIS HA 1 34 ILE MD . . 4.270 4.110 3.977 4.261 . 0 0 "[ . 1 . 2]" 2
405 1 30 GLN HA 1 33 ARG HG3 . . 4.220 2.313 2.028 2.713 . 0 0 "[ . 1 . 2]" 2
406 1 34 ILE HG13 1 34 ILE MG . . 3.700 3.188 3.186 3.192 . 0 0 "[ . 1 . 2]" 2
407 1 22 PHE QD 1 28 LEU MD2 . . 4.240 3.478 3.208 3.659 . 0 0 "[ . 1 . 2]" 2
408 1 13 TYR QD 1 28 LEU MD2 . . 3.840 3.353 3.086 3.451 . 0 0 "[ . 1 . 2]" 2
409 1 28 LEU MD2 1 32 GLN HE21 . . 4.490 2.598 2.301 3.504 . 0 0 "[ . 1 . 2]" 2
410 1 15 CYS HA 1 28 LEU MD2 . . 4.310 3.288 3.126 3.422 . 0 0 "[ . 1 . 2]" 2
411 1 28 LEU HA 1 28 LEU MD2 . . 4.180 3.990 3.968 4.012 . 0 0 "[ . 1 . 2]" 2
412 1 13 TYR HB3 1 28 LEU MD2 . . 3.090 1.995 1.886 2.061 . 0 0 "[ . 1 . 2]" 2
413 1 28 LEU HB3 1 28 LEU MD2 . . 3.190 2.310 2.241 2.329 . 0 0 "[ . 1 . 2]" 2
414 1 28 LEU HB2 1 28 LEU MD2 . . 3.190 2.410 2.383 2.455 . 0 0 "[ . 1 . 2]" 2
415 1 12 PRO HG2 1 13 TYR QD . . 4.040 2.487 2.377 2.613 . 0 0 "[ . 1 . 2]" 2
416 1 33 ARG HA 1 33 ARG QD . . 4.120 3.161 2.011 4.085 . 0 0 "[ . 1 . 2]" 2
417 1 20 LYS HA 1 20 LYS HG3 . . 3.550 3.094 3.067 3.113 . 0 0 "[ . 1 . 2]" 2
418 1 20 LYS HA 1 20 LYS HG2 . . 3.590 2.159 2.151 2.174 . 0 0 "[ . 1 . 2]" 2
419 1 20 LYS HG3 1 21 ALA H . . 4.640 4.455 4.434 4.505 . 0 0 "[ . 1 . 2]" 2
420 1 20 LYS HE2 1 20 LYS HG3 . . 4.010 3.428 2.584 3.963 . 0 0 "[ . 1 . 2]" 2
421 1 22 PHE HB3 1 28 LEU HA . . 4.410 4.201 3.978 4.410 . 0 0 "[ . 1 . 2]" 2
422 1 17 GLU HA 1 17 GLU HG2 . . 3.830 3.498 2.392 3.661 . 0 0 "[ . 1 . 2]" 2
423 1 17 GLU HA 1 17 GLU HG3 . . 3.830 2.930 2.529 3.650 . 0 0 "[ . 1 . 2]" 2
424 1 28 LEU HA 1 31 HIS H . . 3.930 3.229 3.171 3.305 . 0 0 "[ . 1 . 2]" 2
425 1 22 PHE QE 1 28 LEU HA . . 4.120 3.302 3.228 3.394 . 0 0 "[ . 1 . 2]" 2
426 1 28 LEU HA 1 31 HIS HB3 . . 3.700 2.354 2.266 2.449 . 0 0 "[ . 1 . 2]" 2
427 1 27 ASN HB3 1 28 LEU HA . . 4.490 4.171 4.057 4.232 . 0 0 "[ . 1 . 2]" 2
428 1 28 LEU HA 1 28 LEU HG . . 3.930 3.356 3.341 3.383 . 0 0 "[ . 1 . 2]" 2
429 1 25 LYS QE 1 25 LYS HG2 . . 3.730 3.365 2.333 3.517 . 0 0 "[ . 1 . 2]" 2
430 1 10 GLU HA 1 10 GLU HG2 . . 3.890 2.922 2.233 3.685 . 0 0 "[ . 1 . 2]" 2
431 1 10 GLU HA 1 11 LYS HG3 . . 4.330 3.322 3.229 3.433 . 0 0 "[ . 1 . 2]" 2
432 1 38 GLU HA 1 38 GLU HG2 . . 4.160 3.117 2.247 3.813 . 0 0 "[ . 1 . 2]" 2
433 1 38 GLU HA 1 38 GLU HG3 . . 4.160 3.276 2.306 4.179 0.019 16 0 "[ . 1 . 2]" 2
434 1 27 ASN HA 1 30 GLN H . . 4.140 4.018 3.926 4.144 0.004 16 0 "[ . 1 . 2]" 2
435 1 27 ASN HA 1 30 GLN HG2 . . 4.320 2.322 2.245 2.421 . 0 0 "[ . 1 . 2]" 2
436 1 27 ASN HA 1 30 GLN QB . . 3.950 3.892 3.830 3.939 . 0 0 "[ . 1 . 2]" 2
437 1 26 ALA MB 1 27 ASN HA . . 4.300 3.851 3.757 3.900 . 0 0 "[ . 1 . 2]" 2
438 1 26 ALA HA 1 29 THR HB . . 3.210 2.885 2.767 2.964 . 0 0 "[ . 1 . 2]" 2
439 1 26 ALA HA 1 29 THR MG . . 4.180 4.159 4.012 4.186 0.006 7 0 "[ . 1 . 2]" 2
440 1 28 LEU MD1 1 32 GLN H . . 4.070 3.506 3.384 3.625 . 0 0 "[ . 1 . 2]" 2
441 1 22 PHE QD 1 28 LEU MD1 . . 3.240 2.532 2.406 2.703 . 0 0 "[ . 1 . 2]" 2
442 1 28 LEU MD1 1 32 GLN HE21 . . 3.940 2.097 1.892 2.497 . 0 0 "[ . 1 . 2]" 2
443 1 28 LEU MD1 1 31 HIS HD2 . . 3.150 2.379 2.252 2.540 . 0 0 "[ . 1 . 2]" 2
444 1 22 PHE QE 1 28 LEU MD1 . . 3.330 2.482 2.280 2.644 . 0 0 "[ . 1 . 2]" 2
445 1 28 LEU MD1 1 29 THR HA . . 4.150 4.102 4.008 4.143 . 0 0 "[ . 1 . 2]" 2
446 1 15 CYS HB3 1 28 LEU MD1 . . 3.750 3.562 3.461 3.645 . 0 0 "[ . 1 . 2]" 2
447 1 28 LEU HA 1 28 LEU MD1 . . 2.950 2.284 2.156 2.360 . 0 0 "[ . 1 . 2]" 2
448 1 28 LEU MD1 1 31 HIS HB3 . . 3.620 2.784 2.706 2.907 . 0 0 "[ . 1 . 2]" 2
449 1 15 CYS HB2 1 28 LEU MD1 . . 3.100 2.311 2.235 2.396 . 0 0 "[ . 1 . 2]" 2
450 1 28 LEU MD1 1 32 GLN QG . . 3.070 2.368 2.260 2.433 . 0 0 "[ . 1 . 2]" 2
451 1 22 PHE HB2 1 28 LEU MD1 . . 4.370 4.025 3.867 4.177 . 0 0 "[ . 1 . 2]" 2
452 1 28 LEU MD1 1 32 GLN HB3 . . 4.800 4.717 4.605 4.800 . 0 0 "[ . 1 . 2]" 2
453 1 28 LEU HB3 1 28 LEU MD1 . . 3.540 3.188 3.183 3.191 . 0 0 "[ . 1 . 2]" 2
454 1 28 LEU HB2 1 28 LEU MD1 . . 3.170 2.355 2.326 2.378 . 0 0 "[ . 1 . 2]" 2
455 1 15 CYS H 1 21 ALA MB . . 4.250 4.145 4.104 4.183 . 0 0 "[ . 1 . 2]" 2
456 1 21 ALA H 1 21 ALA MB . . 2.990 2.672 2.632 2.720 . 0 0 "[ . 1 . 2]" 2
457 1 11 LYS HB2 1 21 ALA MB . . 3.180 1.966 1.953 1.978 . 0 0 "[ . 1 . 2]" 2
458 1 29 THR H 1 29 THR MG . . 3.840 3.770 3.758 3.776 . 0 0 "[ . 1 . 2]" 2
459 1 29 THR MG 1 30 GLN H . . 3.720 3.274 3.133 3.348 . 0 0 "[ . 1 . 2]" 2
460 1 29 THR HA 1 29 THR MG . . 2.880 2.467 2.398 2.543 . 0 0 "[ . 1 . 2]" 2
461 1 29 THR MG 1 33 ARG QD . . 4.380 3.845 3.165 4.375 . 0 0 "[ . 1 . 2]" 2
462 1 25 LYS QE 1 29 THR MG . . 4.250 4.123 4.015 4.259 0.009 16 0 "[ . 1 . 2]" 2
463 1 29 THR MG 1 30 GLN QB . . 4.050 3.964 3.841 4.031 . 0 0 "[ . 1 . 2]" 2
464 1 11 LYS HA 1 23 ALA HA . . 3.470 2.419 2.298 2.616 . 0 0 "[ . 1 . 2]" 2
465 1 12 PRO HD2 1 23 ALA HA . . 3.390 2.555 2.280 2.622 . 0 0 "[ . 1 . 2]" 2
466 1 39 LYS HA 1 40 PRO HD2 . . 3.590 2.327 2.161 2.457 . 0 0 "[ . 1 . 2]" 2
467 1 39 LYS HA 1 39 LYS QG . . 3.720 2.903 2.149 3.447 . 0 0 "[ . 1 . 2]" 2
468 1 39 LYS HA 1 40 PRO HD3 . . 3.590 2.282 2.254 2.325 . 0 0 "[ . 1 . 2]" 2
469 1 11 LYS HA 1 12 PRO HG2 . . 4.220 4.135 4.130 4.152 . 0 0 "[ . 1 . 2]" 2
470 1 11 LYS HA 1 12 PRO HD2 . . 3.200 1.930 1.924 1.948 . 0 0 "[ . 1 . 2]" 2
471 1 11 LYS HA 1 11 LYS HG3 . . 3.810 2.888 2.828 2.907 . 0 0 "[ . 1 . 2]" 2
472 1 11 LYS HA 1 11 LYS HG2 . . 3.510 2.889 2.811 2.955 . 0 0 "[ . 1 . 2]" 2
473 1 33 ARG HA 1 36 THR MG . . 3.860 2.949 1.907 3.869 0.009 13 0 "[ . 1 . 2]" 2
474 1 35 HIS HB2 1 36 THR MG . . 4.130 3.220 2.960 3.493 . 0 0 "[ . 1 . 2]" 2
475 1 21 ALA HA 1 22 PHE QD . . 3.970 2.830 2.701 2.947 . 0 0 "[ . 1 . 2]" 2
476 1 14 ARG QB 1 21 ALA HA . . 4.220 3.929 3.900 3.971 . 0 0 "[ . 1 . 2]" 2
477 1 11 LYS HB3 1 21 ALA HA . . 4.530 4.190 4.091 4.376 . 0 0 "[ . 1 . 2]" 2
478 1 13 TYR QD 1 25 LYS HG2 . . 3.810 3.151 3.004 3.345 . 0 0 "[ . 1 . 2]" 2
479 1 13 TYR QD 1 25 LYS HD3 . . 4.700 2.581 2.264 4.565 . 0 0 "[ . 1 . 2]" 2
480 1 22 PHE QD 1 28 LEU HA . . 4.000 3.140 3.082 3.214 . 0 0 "[ . 1 . 2]" 2
481 1 22 PHE QD 1 27 ASN HB3 . . 3.570 2.774 2.522 2.896 . 0 0 "[ . 1 . 2]" 2
482 1 22 PHE QD 1 28 LEU HB2 . . 3.710 2.250 2.159 2.386 . 0 0 "[ . 1 . 2]" 2
483 1 22 PHE HZ 1 31 HIS HB3 . . 3.940 3.151 2.920 3.360 . 0 0 "[ . 1 . 2]" 2
484 1 20 LYS HD2 1 22 PHE HZ . . 4.190 2.920 2.407 3.839 . 0 0 "[ . 1 . 2]" 2
485 1 20 LYS HB3 1 22 PHE HZ . . 4.340 3.028 2.905 3.180 . 0 0 "[ . 1 . 2]" 2
486 1 22 PHE HZ 1 28 LEU MD1 . . 4.410 3.998 3.745 4.193 . 0 0 "[ . 1 . 2]" 2
487 1 31 HIS HD2 1 35 HIS HD2 . . 4.420 3.831 3.545 3.973 . 0 0 "[ . 1 . 2]" 2
488 1 15 CYS HB3 1 31 HIS HD2 . . 4.250 4.186 4.102 4.255 0.005 9 0 "[ . 1 . 2]" 2
489 1 31 HIS HB2 1 31 HIS HD2 . . 3.910 3.899 3.875 3.913 0.003 9 0 "[ . 1 . 2]" 2
490 1 17 GLU QB 1 18 CYS HA . . 4.350 4.016 3.866 4.100 . 0 0 "[ . 1 . 2]" 2
491 1 14 ARG HA 1 21 ALA HA . . 3.220 2.007 1.989 2.062 . 0 0 "[ . 1 . 2]" 2
492 1 14 ARG HA 1 14 ARG HG3 . . 3.820 2.370 2.295 2.421 . 0 0 "[ . 1 . 2]" 2
493 1 14 ARG HA 1 21 ALA MB . . 3.540 2.945 2.805 3.025 . 0 0 "[ . 1 . 2]" 2
494 1 14 ARG HA 1 15 CYS HB2 . . 4.810 4.768 4.743 4.782 . 0 0 "[ . 1 . 2]" 2
495 1 14 ARG HA 1 28 LEU MD1 . . 4.160 3.890 3.664 3.963 . 0 0 "[ . 1 . 2]" 2
496 1 12 PRO HG2 1 13 TYR QE . . 3.950 2.622 2.531 2.691 . 0 0 "[ . 1 . 2]" 2
497 1 13 TYR QE 1 25 LYS HG2 . . 3.800 2.726 2.533 2.856 . 0 0 "[ . 1 . 2]" 2
498 1 13 TYR QE 1 25 LYS HG3 . . 4.400 3.262 3.034 3.442 . 0 0 "[ . 1 . 2]" 2
499 1 11 LYS HG3 1 23 ALA MB . . 3.680 3.544 3.402 3.682 0.002 12 0 "[ . 1 . 2]" 2
500 1 34 ILE HG12 1 34 ILE MG . . 3.050 2.373 2.350 2.410 . 0 0 "[ . 1 . 2]" 2
501 1 7 GLY QA 1 8 THR MG . . 5.500 4.122 3.400 5.206 . 0 0 "[ . 1 . 2]" 2
502 1 39 LYS HB2 1 40 PRO HD2 . . 4.810 2.870 2.002 3.950 . 0 0 "[ . 1 . 2]" 2
503 1 12 PRO HA 1 13 TYR QD . . 5.500 5.251 5.185 5.292 . 0 0 "[ . 1 . 2]" 2
504 1 11 LYS HB3 1 12 PRO HA . . 5.320 5.297 5.238 5.327 0.007 17 0 "[ . 1 . 2]" 2
505 1 12 PRO HB2 1 13 TYR QD . . 4.540 4.222 4.147 4.292 . 0 0 "[ . 1 . 2]" 2
506 1 12 PRO HB2 1 13 TYR QE . . 4.600 4.431 4.373 4.515 . 0 0 "[ . 1 . 2]" 2
507 1 12 PRO HG3 1 13 TYR QD . . 4.600 3.992 3.900 4.096 . 0 0 "[ . 1 . 2]" 2
508 1 12 PRO HD3 1 13 TYR QE . . 4.770 4.621 4.496 4.722 . 0 0 "[ . 1 . 2]" 2
509 1 12 PRO HD2 1 13 TYR QE . . 4.390 3.545 3.420 3.723 . 0 0 "[ . 1 . 2]" 2
510 1 22 PHE HA 1 22 PHE QD . . 3.640 3.125 3.072 3.181 . 0 0 "[ . 1 . 2]" 2
511 1 13 TYR HA 1 13 TYR QD . . 3.380 3.024 2.991 3.080 . 0 0 "[ . 1 . 2]" 2
512 1 12 PRO HG2 1 13 TYR HB2 . . 4.600 4.313 4.211 4.367 . 0 0 "[ . 1 . 2]" 2
513 1 13 TYR QD 1 22 PHE HB2 . . 4.830 4.291 4.210 4.347 . 0 0 "[ . 1 . 2]" 2
514 1 13 TYR QD 1 28 LEU HB2 . . 5.410 5.064 4.976 5.145 . 0 0 "[ . 1 . 2]" 2
515 1 13 TYR QE 1 24 GLN QG . . 5.140 4.443 4.209 4.580 . 0 0 "[ . 1 . 2]" 2
516 1 12 PRO HB3 1 13 TYR QE . . 5.330 5.226 5.137 5.310 . 0 0 "[ . 1 . 2]" 2
517 1 12 PRO HG3 1 13 TYR QE . . 4.720 3.378 3.260 3.475 . 0 0 "[ . 1 . 2]" 2
518 1 13 TYR QE 1 23 ALA MB . . 5.280 4.938 4.815 5.090 . 0 0 "[ . 1 . 2]" 2
519 1 13 TYR QE 1 25 LYS HD2 . . 4.420 4.051 2.992 4.301 . 0 0 "[ . 1 . 2]" 2
520 1 14 ARG HA 1 22 PHE QD . . 4.550 3.975 3.843 4.076 . 0 0 "[ . 1 . 2]" 2
521 1 14 ARG HA 1 14 ARG QD . . 4.600 3.998 3.905 4.102 . 0 0 "[ . 1 . 2]" 2
522 1 14 ARG QB 1 19 GLY HA2 . . 4.850 4.401 4.381 4.414 . 0 0 "[ . 1 . 2]" 2
523 1 14 ARG QB 1 15 CYS HB3 . . 5.490 5.307 5.282 5.320 . 0 0 "[ . 1 . 2]" 2
524 1 14 ARG HG2 1 21 ALA HA . . 4.490 4.110 4.049 4.182 . 0 0 "[ . 1 . 2]" 2
525 1 14 ARG HG3 1 21 ALA HA . . 4.570 3.051 2.911 3.133 . 0 0 "[ . 1 . 2]" 2
526 1 14 ARG H 1 14 ARG HG2 . . 4.840 4.723 4.696 4.750 . 0 0 "[ . 1 . 2]" 2
527 1 14 ARG HG3 1 19 GLY HA3 . . 5.500 5.341 5.296 5.376 . 0 0 "[ . 1 . 2]" 2
528 1 14 ARG HG3 1 19 GLY HA2 . . 4.990 4.696 4.656 4.723 . 0 0 "[ . 1 . 2]" 2
529 1 14 ARG QD 1 21 ALA HA . . 5.220 4.947 4.760 5.141 . 0 0 "[ . 1 . 2]" 2
530 1 14 ARG QD 1 19 GLY HA3 . . 4.830 4.484 4.069 4.831 0.001 20 0 "[ . 1 . 2]" 2
531 1 14 ARG QD 1 19 GLY HA2 . . 4.530 4.222 3.860 4.536 0.006 17 0 "[ . 1 . 2]" 2
532 1 15 CYS HA 1 32 GLN HE21 . . 4.700 3.688 2.824 4.433 . 0 0 "[ . 1 . 2]" 2
533 1 15 CYS HA 1 22 PHE QE . . 5.160 4.826 4.639 4.948 . 0 0 "[ . 1 . 2]" 2
534 1 14 ARG HG2 1 15 CYS HA . . 5.500 5.184 5.115 5.236 . 0 0 "[ . 1 . 2]" 2
535 1 15 CYS HA 1 17 GLU QB . . 5.500 5.340 5.298 5.401 . 0 0 "[ . 1 . 2]" 2
536 1 14 ARG HA 1 15 CYS HB3 . . 4.600 4.434 4.418 4.452 . 0 0 "[ . 1 . 2]" 2
537 1 15 CYS HB2 1 22 PHE QD . . 4.590 4.402 4.301 4.529 . 0 0 "[ . 1 . 2]" 2
538 1 15 CYS HB2 1 18 CYS H . . 4.660 4.659 4.611 4.672 0.012 7 0 "[ . 1 . 2]" 2
539 1 16 GLY HA3 1 17 GLU HA . . 4.550 4.358 4.354 4.361 . 0 0 "[ . 1 . 2]" 2
540 1 15 CYS HA 1 16 GLY HA3 . . 4.900 4.383 4.379 4.388 . 0 0 "[ . 1 . 2]" 2
541 1 16 GLY HA2 1 17 GLU HA . . 4.850 4.799 4.794 4.802 . 0 0 "[ . 1 . 2]" 2
542 1 15 CYS HA 1 16 GLY HA2 . . 4.740 4.359 4.356 4.363 . 0 0 "[ . 1 . 2]" 2
543 1 16 GLY HA3 1 17 GLU QB . . 4.790 4.621 4.597 4.840 0.050 16 0 "[ . 1 . 2]" 2
544 1 14 ARG HG2 1 16 GLY HA2 . . 5.500 5.506 5.487 5.513 0.013 4 0 "[ . 1 . 2]" 2
545 1 16 GLY HA2 1 17 GLU QB . . 5.500 5.178 5.169 5.271 . 0 0 "[ . 1 . 2]" 2
546 1 17 GLU HG2 1 35 HIS HE1 . . 5.200 4.288 3.962 5.200 0.000 13 0 "[ . 1 . 2]" 2
547 1 17 GLU HG3 1 35 HIS HE1 . . 5.200 4.056 3.430 5.091 . 0 0 "[ . 1 . 2]" 2
548 1 17 GLU HG3 1 35 HIS HD2 . . 5.150 4.640 3.678 5.114 . 0 0 "[ . 1 . 2]" 2
549 1 17 GLU HG3 1 35 HIS HB2 . . 4.870 4.570 3.274 4.888 0.018 15 0 "[ . 1 . 2]" 2
550 1 17 GLU HA 1 18 CYS HA . . 5.130 4.584 4.577 4.588 . 0 0 "[ . 1 . 2]" 2
551 1 18 CYS HA 1 19 GLY HA3 . . 5.490 4.532 4.528 4.534 . 0 0 "[ . 1 . 2]" 2
552 1 18 CYS HA 1 19 GLY HA2 . . 5.150 5.107 5.098 5.118 . 0 0 "[ . 1 . 2]" 2
553 1 18 CYS HB2 1 19 GLY HA3 . . 4.910 4.714 4.694 4.739 . 0 0 "[ . 1 . 2]" 2
554 1 18 CYS HB3 1 20 LYS H . . 4.650 4.612 4.590 4.620 . 0 0 "[ . 1 . 2]" 2
555 1 18 CYS HB3 1 35 HIS HE1 . . 3.570 2.282 2.184 2.330 . 0 0 "[ . 1 . 2]" 2
556 1 17 GLU QB 1 18 CYS HB3 . . 4.340 3.556 3.514 3.634 . 0 0 "[ . 1 . 2]" 2
557 1 15 CYS HB3 1 19 GLY HA2 . . 4.680 3.479 3.450 3.501 . 0 0 "[ . 1 . 2]" 2
558 1 15 CYS HB3 1 19 GLY HA3 . . 4.740 4.560 4.511 4.585 . 0 0 "[ . 1 . 2]" 2
559 1 15 CYS HB2 1 19 GLY HA2 . . 5.210 5.088 5.053 5.111 . 0 0 "[ . 1 . 2]" 2
560 1 14 ARG QB 1 19 GLY HA3 . . 5.500 5.528 5.515 5.543 0.043 18 0 "[ . 1 . 2]" 2
561 1 20 LYS HA 1 21 ALA HA . . 4.760 4.563 4.531 4.578 . 0 0 "[ . 1 . 2]" 2
562 1 15 CYS HB3 1 20 LYS HA . . 4.870 4.060 4.025 4.105 . 0 0 "[ . 1 . 2]" 2
563 1 15 CYS HB2 1 20 LYS HA . . 5.500 5.295 5.216 5.357 . 0 0 "[ . 1 . 2]" 2
564 1 20 LYS HB2 1 22 PHE HZ . . 4.580 3.730 3.561 3.890 . 0 0 "[ . 1 . 2]" 2
565 1 20 LYS HB3 1 22 PHE QD . . 4.990 3.881 3.806 3.912 . 0 0 "[ . 1 . 2]" 2
566 1 20 LYS HG2 1 22 PHE QE . . 4.680 4.675 4.611 4.689 0.009 18 0 "[ . 1 . 2]" 2
567 1 20 LYS HG2 1 22 PHE HZ . . 4.860 4.706 4.622 4.842 . 0 0 "[ . 1 . 2]" 2
568 1 20 LYS HG3 1 22 PHE HZ . . 5.070 4.525 4.461 4.678 . 0 0 "[ . 1 . 2]" 2
569 1 20 LYS HD3 1 21 ALA H . . 5.190 3.563 3.250 4.342 . 0 0 "[ . 1 . 2]" 2
570 1 20 LYS HD2 1 21 ALA H . . 5.190 4.720 4.442 4.985 . 0 0 "[ . 1 . 2]" 2
571 1 20 LYS HD2 1 22 PHE QE . . 4.680 3.921 3.434 4.655 . 0 0 "[ . 1 . 2]" 2
572 1 20 LYS HD3 1 22 PHE QE . . 4.680 3.238 2.994 3.450 . 0 0 "[ . 1 . 2]" 2
573 1 20 LYS HE3 1 31 HIS HE1 . . 5.300 4.506 3.067 5.216 . 0 0 "[ . 1 . 2]" 2
574 1 20 LYS HE2 1 31 HIS HE1 . . 5.300 4.317 3.373 5.041 . 0 0 "[ . 1 . 2]" 2
575 1 20 LYS HE3 1 22 PHE QE . . 5.500 4.837 4.199 5.504 0.004 7 0 "[ . 1 . 2]" 2
576 1 20 LYS HE3 1 22 PHE HZ . . 4.940 4.339 3.881 4.919 . 0 0 "[ . 1 . 2]" 2
577 1 20 LYS HE2 1 22 PHE HZ . . 4.940 3.923 2.275 4.921 . 0 0 "[ . 1 . 2]" 2
578 1 20 LYS HE2 1 22 PHE QE . . 5.500 4.468 2.875 5.499 . 0 0 "[ . 1 . 2]" 2
579 1 21 ALA HA 1 22 PHE QE . . 4.580 3.953 3.823 4.107 . 0 0 "[ . 1 . 2]" 2
580 1 15 CYS HB3 1 21 ALA HA . . 5.230 4.917 4.881 4.973 . 0 0 "[ . 1 . 2]" 2
581 1 21 ALA HA 1 22 PHE HB2 . . 4.800 4.512 4.472 4.539 . 0 0 "[ . 1 . 2]" 2
582 1 21 ALA HA 1 28 LEU MD1 . . 4.340 3.994 3.728 4.080 . 0 0 "[ . 1 . 2]" 2
583 1 13 TYR H 1 21 ALA MB . . 4.710 4.698 4.648 4.728 0.018 17 0 "[ . 1 . 2]" 2
584 1 21 ALA MB 1 22 PHE QD . . 4.370 4.079 3.989 4.157 . 0 0 "[ . 1 . 2]" 2
585 1 21 ALA MB 1 22 PHE QE . . 5.220 4.825 4.756 4.901 . 0 0 "[ . 1 . 2]" 2
586 1 11 LYS HA 1 21 ALA MB . . 4.640 4.518 4.392 4.604 . 0 0 "[ . 1 . 2]" 2
587 1 12 PRO HA 1 21 ALA MB . . 5.500 5.490 5.398 5.531 0.031 17 0 "[ . 1 . 2]" 2
588 1 15 CYS HB3 1 21 ALA MB . . 5.500 5.501 5.468 5.516 0.016 12 0 "[ . 1 . 2]" 2
589 1 21 ALA MB 1 22 PHE HB3 . . 5.500 5.487 5.462 5.515 0.015 16 0 "[ . 1 . 2]" 2
590 1 20 LYS HA 1 21 ALA MB . . 3.880 3.831 3.741 3.848 . 0 0 "[ . 1 . 2]" 2
591 1 22 PHE HB3 1 28 LEU HB3 . . 4.840 4.539 4.360 4.736 . 0 0 "[ . 1 . 2]" 2
592 1 22 PHE HB2 1 28 LEU HB3 . . 4.450 3.316 3.156 3.467 . 0 0 "[ . 1 . 2]" 2
593 1 13 TYR HB3 1 22 PHE QD . . 4.980 4.681 4.542 4.779 . 0 0 "[ . 1 . 2]" 2
594 1 11 LYS HD3 1 22 PHE QD . . 5.280 4.606 4.459 4.862 . 0 0 "[ . 1 . 2]" 2
595 1 22 PHE QD 1 28 LEU HG . . 5.500 4.683 4.539 4.843 . 0 0 "[ . 1 . 2]" 2
596 1 20 LYS HG3 1 22 PHE QE . . 4.700 4.553 4.509 4.592 . 0 0 "[ . 1 . 2]" 2
597 1 22 PHE QD 1 23 ALA MB . . 5.500 5.388 5.297 5.492 . 0 0 "[ . 1 . 2]" 2
598 1 13 TYR QD 1 23 ALA MB . . 4.940 4.742 4.634 4.860 . 0 0 "[ . 1 . 2]" 2
599 1 23 ALA MB 1 24 GLN HE22 . . 4.540 3.231 1.949 4.528 . 0 0 "[ . 1 . 2]" 2
600 1 22 PHE HB3 1 23 ALA MB . . 4.710 4.424 4.355 4.560 . 0 0 "[ . 1 . 2]" 2
601 1 22 PHE HB2 1 23 ALA MB . . 5.460 5.207 5.178 5.284 . 0 0 "[ . 1 . 2]" 2
602 1 23 ALA MB 1 24 GLN HB2 . . 4.340 3.826 3.640 3.941 . 0 0 "[ . 1 . 2]" 2
603 1 13 TYR QD 1 24 GLN HA . . 4.100 3.842 3.663 4.063 . 0 0 "[ . 1 . 2]" 2
604 1 24 GLN HA 1 24 GLN QG . . 3.330 2.253 2.188 2.342 . 0 0 "[ . 1 . 2]" 2
605 1 24 GLN HA 1 25 LYS HB2 . . 4.920 4.453 4.401 4.522 . 0 0 "[ . 1 . 2]" 2
606 1 24 GLN HA 1 25 LYS HG2 . . 5.290 4.462 4.371 4.524 . 0 0 "[ . 1 . 2]" 2
607 1 23 ALA MB 1 24 GLN HB3 . . 5.330 4.975 4.913 5.035 . 0 0 "[ . 1 . 2]" 2
608 1 24 GLN HB2 1 27 ASN HB2 . . 4.740 3.070 2.757 3.241 . 0 0 "[ . 1 . 2]" 2
609 1 24 GLN HB3 1 27 ASN HB3 . . 4.880 4.661 4.451 4.852 . 0 0 "[ . 1 . 2]" 2
610 1 30 GLN HG2 1 31 HIS H . . 4.220 2.939 2.664 3.142 . 0 0 "[ . 1 . 2]" 2
611 1 24 GLN QG 1 25 LYS HB2 . . 5.500 5.200 4.948 5.378 . 0 0 "[ . 1 . 2]" 2
612 1 13 TYR QE 1 25 LYS HA . . 4.820 4.690 4.520 4.782 . 0 0 "[ . 1 . 2]" 2
613 1 25 LYS HB2 1 27 ASN H . . 5.090 4.916 4.881 4.978 . 0 0 "[ . 1 . 2]" 2
614 1 13 TYR QE 1 25 LYS HB2 . . 4.750 4.644 4.508 4.749 . 0 0 "[ . 1 . 2]" 2
615 1 25 LYS HB3 1 28 LEU H . . 5.500 4.732 4.694 4.843 . 0 0 "[ . 1 . 2]" 2
616 1 13 TYR QE 1 25 LYS HB3 . . 5.500 5.272 5.132 5.407 . 0 0 "[ . 1 . 2]" 2
617 1 25 LYS H 1 25 LYS HG2 . . 5.370 2.895 2.809 3.148 . 0 0 "[ . 1 . 2]" 2
618 1 13 TYR QD 1 25 LYS HG3 . . 4.610 4.067 3.871 4.276 . 0 0 "[ . 1 . 2]" 2
619 1 13 TYR QD 1 25 LYS HD2 . . 4.700 3.042 2.718 3.279 . 0 0 "[ . 1 . 2]" 2
620 1 13 TYR QD 1 25 LYS QE . . 5.040 4.264 2.854 4.659 . 0 0 "[ . 1 . 2]" 2
621 1 25 LYS QE 1 28 LEU H . . 5.500 4.393 3.851 4.557 . 0 0 "[ . 1 . 2]" 2
622 1 26 ALA HA 1 30 GLN H . . 4.410 4.064 3.793 4.145 . 0 0 "[ . 1 . 2]" 2
623 1 25 LYS HA 1 26 ALA HA . . 5.080 4.910 4.892 4.923 . 0 0 "[ . 1 . 2]" 2
624 1 26 ALA HA 1 30 GLN QB . . 4.780 4.569 4.141 4.715 . 0 0 "[ . 1 . 2]" 2
625 1 26 ALA MB 1 29 THR H . . 5.230 5.011 4.932 5.064 . 0 0 "[ . 1 . 2]" 2
626 1 26 ALA MB 1 30 GLN H . . 4.970 4.883 4.713 4.971 0.001 11 0 "[ . 1 . 2]" 2
627 1 26 ALA MB 1 27 ASN HB3 . . 4.980 4.856 4.762 4.994 0.014 9 0 "[ . 1 . 2]" 2
628 1 26 ALA MB 1 27 ASN HB2 . . 4.500 3.939 3.872 4.045 . 0 0 "[ . 1 . 2]" 2
629 1 22 PHE QD 1 27 ASN HA . . 4.840 4.445 4.267 4.557 . 0 0 "[ . 1 . 2]" 2
630 1 27 ASN HA 1 29 THR H . . 5.320 5.000 4.850 5.211 . 0 0 "[ . 1 . 2]" 2
631 1 22 PHE HB3 1 27 ASN HA . . 5.100 4.876 4.809 4.947 . 0 0 "[ . 1 . 2]" 2
632 1 24 GLN QG 1 27 ASN HB2 . . 5.500 5.107 4.869 5.300 . 0 0 "[ . 1 . 2]" 2
633 1 27 ASN HB2 1 30 GLN HG2 . . 5.500 4.836 4.748 4.931 . 0 0 "[ . 1 . 2]" 2
634 1 27 ASN HB3 1 30 GLN HG2 . . 5.100 4.811 4.715 4.904 . 0 0 "[ . 1 . 2]" 2
635 1 28 LEU HA 1 32 GLN H . . 4.470 4.268 4.190 4.354 . 0 0 "[ . 1 . 2]" 2
636 1 28 LEU HA 1 31 HIS HD2 . . 4.470 4.128 3.972 4.325 . 0 0 "[ . 1 . 2]" 2
637 1 22 PHE HZ 1 28 LEU HA . . 4.910 3.949 3.809 4.057 . 0 0 "[ . 1 . 2]" 2
638 1 28 LEU HA 1 31 HIS HA . . 5.180 5.126 5.049 5.178 . 0 0 "[ . 1 . 2]" 2
639 1 22 PHE HB2 1 28 LEU HA . . 4.720 3.643 3.521 3.763 . 0 0 "[ . 1 . 2]" 2
640 1 22 PHE QD 1 28 LEU HB3 . . 4.440 3.938 3.861 4.037 . 0 0 "[ . 1 . 2]" 2
641 1 15 CYS H 1 28 LEU MD2 . . 4.800 4.024 3.718 4.153 . 0 0 "[ . 1 . 2]" 2
642 1 22 PHE H 1 28 LEU MD2 . . 4.890 4.586 4.128 4.719 . 0 0 "[ . 1 . 2]" 2
643 1 28 LEU MD2 1 32 GLN HE22 . . 4.490 3.244 2.967 3.692 . 0 0 "[ . 1 . 2]" 2
644 1 13 TYR H 1 28 LEU MD2 . . 5.040 4.970 4.705 5.043 0.003 2 0 "[ . 1 . 2]" 2
645 1 13 TYR QE 1 28 LEU MD2 . . 5.040 4.922 4.771 5.007 . 0 0 "[ . 1 . 2]" 2
646 1 13 TYR HA 1 28 LEU MD2 . . 4.730 3.786 3.484 3.856 . 0 0 "[ . 1 . 2]" 2
647 1 28 LEU MD2 1 29 THR HA . . 4.340 4.269 4.205 4.328 . 0 0 "[ . 1 . 2]" 2
648 1 15 CYS HB3 1 28 LEU MD2 . . 5.500 5.303 5.128 5.395 . 0 0 "[ . 1 . 2]" 2
649 1 22 PHE HB3 1 28 LEU MD2 . . 5.500 5.320 5.134 5.499 . 0 0 "[ . 1 . 2]" 2
650 1 22 PHE HB2 1 28 LEU MD2 . . 4.540 3.859 3.679 4.031 . 0 0 "[ . 1 . 2]" 2
651 1 22 PHE H 1 28 LEU MD1 . . 4.840 4.703 4.436 4.839 . 0 0 "[ . 1 . 2]" 2
652 1 14 ARG H 1 28 LEU MD1 . . 4.870 4.692 4.545 4.826 . 0 0 "[ . 1 . 2]" 2
653 1 28 LEU MD1 1 29 THR H . . 4.620 4.061 3.975 4.129 . 0 0 "[ . 1 . 2]" 2
654 1 28 LEU MD1 1 31 HIS HE1 . . 5.500 5.477 5.396 5.508 0.008 16 0 "[ . 1 . 2]" 2
655 1 28 LEU MD1 1 35 HIS HD2 . . 5.370 5.112 4.874 5.246 . 0 0 "[ . 1 . 2]" 2
656 1 28 LEU HB3 1 29 THR HA . . 4.690 4.539 4.486 4.580 . 0 0 "[ . 1 . 2]" 2
657 1 28 LEU H 1 29 THR HB . . 4.620 4.557 4.453 4.618 . 0 0 "[ . 1 . 2]" 2
658 1 29 THR HB 1 30 GLN QB . . 4.210 4.091 4.021 4.184 . 0 0 "[ . 1 . 2]" 2
659 1 29 THR HB 1 30 GLN HG2 . . 5.030 4.851 4.802 4.934 . 0 0 "[ . 1 . 2]" 2
660 1 28 LEU MD2 1 29 THR HB . . 5.500 5.493 5.449 5.506 0.006 16 0 "[ . 1 . 2]" 2
661 1 28 LEU HG 1 29 THR HB . . 5.190 4.953 4.862 5.005 . 0 0 "[ . 1 . 2]" 2
662 1 29 THR HB 1 32 GLN QG . . 5.160 5.090 4.939 5.168 0.008 18 0 "[ . 1 . 2]" 2
663 1 29 THR MG 1 32 GLN H . . 4.820 4.730 4.653 4.819 . 0 0 "[ . 1 . 2]" 2
664 1 29 THR MG 1 32 GLN HB2 . . 4.430 4.022 3.936 4.180 . 0 0 "[ . 1 . 2]" 2
665 1 30 GLN HA 1 32 GLN H . . 4.750 4.501 4.322 4.606 . 0 0 "[ . 1 . 2]" 2
666 1 29 THR MG 1 30 GLN HA . . 3.960 3.239 3.087 3.353 . 0 0 "[ . 1 . 2]" 2
667 1 29 THR H 1 30 GLN QB . . 5.160 4.975 4.904 5.001 . 0 0 "[ . 1 . 2]" 2
668 1 26 ALA MB 1 30 GLN QB . . 4.810 4.536 4.207 4.659 . 0 0 "[ . 1 . 2]" 2
669 1 31 HIS HA 1 33 ARG H . . 4.460 3.803 3.639 3.971 . 0 0 "[ . 1 . 2]" 2
670 1 31 HIS HA 1 31 HIS HD2 . . 4.720 4.581 4.537 4.647 . 0 0 "[ . 1 . 2]" 2
671 1 22 PHE HZ 1 31 HIS HA . . 4.760 4.637 4.484 4.752 . 0 0 "[ . 1 . 2]" 2
672 1 30 GLN HG3 1 31 HIS HA . . 4.960 3.119 3.056 3.197 . 0 0 "[ . 1 . 2]" 2
673 1 31 HIS HA 1 34 ILE HG12 . . 4.800 4.482 4.406 4.705 . 0 0 "[ . 1 . 2]" 2
674 1 28 LEU HB2 1 31 HIS HB3 . . 5.250 4.459 4.390 4.566 . 0 0 "[ . 1 . 2]" 2
675 1 17 GLU QB 1 35 HIS HB3 . . 4.910 3.498 3.204 3.740 . 0 0 "[ . 1 . 2]" 2
676 1 17 GLU QB 1 35 HIS HB2 . . 4.880 3.612 3.428 3.780 . 0 0 "[ . 1 . 2]" 2
677 1 17 GLU HG3 1 35 HIS HB3 . . 4.910 3.418 2.095 3.766 . 0 0 "[ . 1 . 2]" 2
678 1 17 GLU HG2 1 35 HIS HB3 . . 4.910 2.195 1.992 3.507 . 0 0 "[ . 1 . 2]" 2
679 1 17 GLU HG2 1 35 HIS HB2 . . 4.870 3.202 2.167 4.691 . 0 0 "[ . 1 . 2]" 2
680 1 32 GLN HA 1 35 HIS HB3 . . 5.440 5.227 4.913 5.326 . 0 0 "[ . 1 . 2]" 2
681 1 17 GLU QB 1 35 HIS HE1 . . 4.370 3.333 3.154 3.448 . 0 0 "[ . 1 . 2]" 2
682 1 34 ILE MD 1 35 HIS HE1 . . 4.080 2.501 2.354 2.668 . 0 0 "[ . 1 . 2]" 2
683 1 34 ILE MG 1 35 HIS HE1 . . 5.500 5.472 5.351 5.513 0.013 19 0 "[ . 1 . 2]" 2
684 1 28 LEU MD1 1 32 GLN HA . . 4.450 4.373 4.268 4.448 . 0 0 "[ . 1 . 2]" 2
685 1 31 HIS H 1 32 GLN HB2 . . 5.060 4.898 4.736 4.985 . 0 0 "[ . 1 . 2]" 2
686 1 31 HIS HD2 1 32 GLN HB2 . . 5.110 4.760 4.561 4.910 . 0 0 "[ . 1 . 2]" 2
687 1 31 HIS HD2 1 32 GLN HB3 . . 4.740 4.535 4.323 4.652 . 0 0 "[ . 1 . 2]" 2
688 1 32 GLN HB3 1 35 HIS HD2 . . 4.570 3.588 3.266 3.771 . 0 0 "[ . 1 . 2]" 2
689 1 32 GLN HB2 1 33 ARG HA . . 4.860 4.142 4.068 4.214 . 0 0 "[ . 1 . 2]" 2
690 1 32 GLN HB3 1 33 ARG HA . . 5.040 4.755 4.698 4.830 . 0 0 "[ . 1 . 2]" 2
691 1 32 GLN HB3 1 35 HIS HB2 . . 4.800 4.054 3.697 4.200 . 0 0 "[ . 1 . 2]" 2
692 1 32 GLN HB2 1 35 HIS HB2 . . 5.500 5.389 5.075 5.507 0.007 5 0 "[ . 1 . 2]" 2
693 1 28 LEU MD1 1 32 GLN HB2 . . 4.820 4.760 4.625 4.822 0.002 20 0 "[ . 1 . 2]" 2
694 1 29 THR MG 1 32 GLN HB3 . . 5.500 5.364 5.258 5.496 . 0 0 "[ . 1 . 2]" 2
695 1 15 CYS HA 1 32 GLN QG . . 4.910 4.141 3.868 4.283 . 0 0 "[ . 1 . 2]" 2
696 1 29 THR MG 1 32 GLN QG . . 4.570 4.046 3.886 4.145 . 0 0 "[ . 1 . 2]" 2
697 1 32 GLN H 1 33 ARG HA . . 5.330 5.291 5.226 5.341 0.011 18 0 "[ . 1 . 2]" 2
698 1 33 ARG HA 1 34 ILE MG . . 4.830 4.683 4.632 4.733 . 0 0 "[ . 1 . 2]" 2
699 1 30 GLN HA 1 33 ARG HB3 . . 5.310 4.908 4.728 5.046 . 0 0 "[ . 1 . 2]" 2
700 1 30 GLN HA 1 33 ARG HB2 . . 4.870 4.111 3.940 4.270 . 0 0 "[ . 1 . 2]" 2
701 1 33 ARG HB2 1 34 ILE HA . . 5.270 4.221 4.123 4.297 . 0 0 "[ . 1 . 2]" 2
702 1 33 ARG HG3 1 34 ILE H . . 5.220 4.625 4.083 5.220 0.000 11 0 "[ . 1 . 2]" 2
703 1 33 ARG HG2 1 34 ILE H . . 5.220 4.526 4.194 4.807 . 0 0 "[ . 1 . 2]" 2
704 1 33 ARG HG2 1 34 ILE MG . . 5.500 5.152 4.681 5.502 0.002 8 0 "[ . 1 . 2]" 2
705 1 33 ARG HG3 1 34 ILE MG . . 5.500 4.829 4.426 5.231 . 0 0 "[ . 1 . 2]" 2
706 1 33 ARG QD 1 34 ILE H . . 5.400 5.194 4.800 5.413 0.013 9 0 "[ . 1 . 2]" 2
707 1 30 GLN QB 1 33 ARG QD . . 4.750 4.284 3.497 4.753 0.003 20 0 "[ . 1 . 2]" 2
708 1 33 ARG QD 1 34 ILE MG . . 5.500 5.404 5.116 5.580 0.080 15 0 "[ . 1 . 2]" 2
709 1 33 ARG HB3 1 34 ILE HA . . 4.910 4.724 4.550 4.838 . 0 0 "[ . 1 . 2]" 2
710 1 34 ILE HA 1 34 ILE HG13 . . 3.940 3.599 3.578 3.618 . 0 0 "[ . 1 . 2]" 2
711 1 34 ILE MG 1 35 HIS HD2 . . 5.130 5.065 4.944 5.136 0.006 17 0 "[ . 1 . 2]" 2
712 1 32 GLN H 1 34 ILE MG . . 5.140 4.611 4.539 4.683 . 0 0 "[ . 1 . 2]" 2
713 1 32 GLN HA 1 34 ILE MG . . 4.360 4.345 4.304 4.370 0.010 5 0 "[ . 1 . 2]" 2
714 1 34 ILE MD 1 35 HIS HD2 . . 5.190 3.905 3.663 4.196 . 0 0 "[ . 1 . 2]" 2
715 1 32 GLN HB2 1 35 HIS HD2 . . 4.990 4.875 4.594 5.011 0.021 18 0 "[ . 1 . 2]" 2
716 1 17 GLU HG2 1 35 HIS HD2 . . 5.150 3.692 2.821 5.024 . 0 0 "[ . 1 . 2]" 2
717 1 34 ILE HG12 1 35 HIS HD2 . . 4.960 3.349 3.199 3.523 . 0 0 "[ . 1 . 2]" 2
718 1 22 PHE HZ 1 31 HIS HE1 . . 5.000 4.057 3.862 4.227 . 0 0 "[ . 1 . 2]" 2
719 1 15 CYS HB2 1 31 HIS HE1 . . 5.500 4.965 4.911 5.055 . 0 0 "[ . 1 . 2]" 2
720 1 20 LYS HD3 1 31 HIS HE1 . . 4.150 3.540 2.419 4.092 . 0 0 "[ . 1 . 2]" 2
721 1 20 LYS HD2 1 31 HIS HE1 . . 4.150 2.440 2.098 3.027 . 0 0 "[ . 1 . 2]" 2
722 1 20 LYS HG3 1 31 HIS HE1 . . 4.600 2.810 2.667 2.914 . 0 0 "[ . 1 . 2]" 2
723 1 31 HIS HE1 1 34 ILE HG12 . . 4.950 4.127 3.964 4.324 . 0 0 "[ . 1 . 2]" 2
724 1 20 LYS HG2 1 31 HIS HE1 . . 4.980 4.340 4.204 4.442 . 0 0 "[ . 1 . 2]" 2
725 1 35 HIS HB3 1 36 THR HA . . 5.050 4.611 4.441 4.936 . 0 0 "[ . 1 . 2]" 2
726 1 35 HIS HB2 1 36 THR HA . . 4.850 4.346 4.059 4.831 . 0 0 "[ . 1 . 2]" 2
727 1 33 ARG H 1 36 THR MG . . 5.020 4.519 3.743 4.984 . 0 0 "[ . 1 . 2]" 2
728 1 35 HIS HB3 1 36 THR MG . . 4.710 4.263 3.979 4.747 0.037 9 0 "[ . 1 . 2]" 2
729 1 32 GLN HB3 1 36 THR MG . . 4.360 3.529 2.773 4.203 . 0 0 "[ . 1 . 2]" 2
730 1 10 GLU HA 1 10 GLU HG3 . . 3.890 2.905 2.318 3.748 . 0 0 "[ . 1 . 2]" 2
731 1 10 GLU HA 1 11 LYS HG2 . . 5.090 4.973 4.908 5.075 . 0 0 "[ . 1 . 2]" 2
732 1 10 GLU HA 1 11 LYS HB2 . . 5.010 4.796 4.695 4.938 . 0 0 "[ . 1 . 2]" 2
733 1 10 GLU HB2 1 12 PRO HD3 . . 5.180 4.685 4.339 4.928 . 0 0 "[ . 1 . 2]" 2
734 1 10 GLU HB3 1 12 PRO HD3 . . 5.180 4.643 4.222 4.901 . 0 0 "[ . 1 . 2]" 2
735 1 11 LYS HA 1 12 PRO HG3 . . 4.500 4.339 4.325 4.344 . 0 0 "[ . 1 . 2]" 2
736 1 11 LYS HA 1 11 LYS QE . . 4.990 4.794 4.711 4.956 . 0 0 "[ . 1 . 2]" 2
737 1 11 LYS HB2 1 13 TYR H . . 5.270 4.569 4.423 4.760 . 0 0 "[ . 1 . 2]" 2
738 1 11 LYS HB2 1 22 PHE H . . 4.780 3.191 3.111 3.317 . 0 0 "[ . 1 . 2]" 2
739 1 11 LYS HB2 1 12 PRO HD2 . . 4.820 4.459 4.400 4.498 . 0 0 "[ . 1 . 2]" 2
740 1 11 LYS HB3 1 12 PRO HD2 . . 4.630 3.363 3.246 3.411 . 0 0 "[ . 1 . 2]" 2
741 1 11 LYS HG3 1 12 PRO HD2 . . 4.750 4.735 4.638 4.763 0.013 3 0 "[ . 1 . 2]" 2
742 1 39 LYS HB3 1 40 PRO HD3 . . 4.810 4.208 3.472 4.796 . 0 0 "[ . 1 . 2]" 2
743 1 39 LYS HB2 1 40 PRO HD3 . . 4.810 4.097 3.447 4.827 0.017 16 0 "[ . 1 . 2]" 2
744 1 18 CYS HA 1 35 HIS HE1 . . 4.460 4.435 4.360 4.464 0.004 7 0 "[ . 1 . 2]" 2
745 1 8 THR MG 1 9 GLY QA . . 5.340 4.273 2.890 5.176 . 0 0 "[ . 1 . 2]" 2
746 1 10 GLU H 1 10 GLU QB . . 3.580 2.380 2.202 2.650 . 0 0 "[ . 1 . 2]" 2
747 1 10 GLU H 1 10 GLU QG . . 4.550 3.209 2.196 3.840 . 0 0 "[ . 1 . 2]" 2
748 1 10 GLU QB 1 11 LYS H . . 4.370 2.266 2.121 2.554 . 0 0 "[ . 1 . 2]" 2
749 1 10 GLU QB 1 11 LYS HA . . 4.620 4.117 4.063 4.199 . 0 0 "[ . 1 . 2]" 2
750 1 10 GLU QB 1 11 LYS HG3 . . 4.590 4.431 4.285 4.592 0.002 8 0 "[ . 1 . 2]" 2
751 1 10 GLU QB 1 12 PRO HD3 . . 4.460 4.144 3.932 4.275 . 0 0 "[ . 1 . 2]" 2
752 1 13 TYR HB3 1 25 LYS QD . . 4.790 3.043 2.746 4.550 . 0 0 "[ . 1 . 2]" 2
753 1 13 TYR QD 1 25 LYS QD . . 4.110 2.400 2.182 2.979 . 0 0 "[ . 1 . 2]" 2
754 1 15 CYS HA 1 32 GLN QE . . 4.010 3.481 2.748 4.001 . 0 0 "[ . 1 . 2]" 2
755 1 17 GLU QG 1 18 CYS H . . 4.120 3.609 3.375 4.113 . 0 0 "[ . 1 . 2]" 2
756 1 17 GLU QG 1 18 CYS HB3 . . 5.340 4.239 3.803 5.376 0.036 16 0 "[ . 1 . 2]" 2
757 1 17 GLU QG 1 35 HIS HB3 . . 4.280 2.038 1.984 2.174 . 0 0 "[ . 1 . 2]" 2
758 1 17 GLU QG 1 35 HIS HD2 . . 4.470 3.467 2.783 3.720 . 0 0 "[ . 1 . 2]" 2
759 1 20 LYS HA 1 20 LYS QD . . 4.180 3.825 3.719 4.025 . 0 0 "[ . 1 . 2]" 2
760 1 20 LYS HA 1 20 LYS QE . . 5.340 4.101 3.391 4.693 . 0 0 "[ . 1 . 2]" 2
761 1 20 LYS HB2 1 20 LYS QE . . 4.680 4.031 3.429 4.337 . 0 0 "[ . 1 . 2]" 2
762 1 20 LYS HB3 1 20 LYS QD . . 3.280 2.212 2.061 2.493 . 0 0 "[ . 1 . 2]" 2
763 1 20 LYS HB3 1 20 LYS QE . . 4.130 3.369 2.058 4.034 . 0 0 "[ . 1 . 2]" 2
764 1 20 LYS QE 1 20 LYS HG3 . . 3.390 2.897 2.406 3.289 . 0 0 "[ . 1 . 2]" 2
765 1 20 LYS QD 1 21 ALA H . . 4.340 3.452 3.183 4.085 . 0 0 "[ . 1 . 2]" 2
766 1 20 LYS QD 1 22 PHE QE . . 4.110 3.065 2.950 3.265 . 0 0 "[ . 1 . 2]" 2
767 1 20 LYS QD 1 22 PHE HZ . . 3.660 2.170 2.010 2.311 . 0 0 "[ . 1 . 2]" 2
768 1 20 LYS QD 1 31 HIS HE1 . . 3.590 2.283 2.087 2.438 . 0 0 "[ . 1 . 2]" 2
769 1 20 LYS QE 1 31 HIS HE1 . . 4.500 3.874 3.019 4.482 . 0 0 "[ . 1 . 2]" 2
770 1 24 GLN H 1 24 GLN QE . . 5.340 3.978 2.831 4.644 . 0 0 "[ . 1 . 2]" 2
771 1 25 LYS HA 1 25 LYS QD . . 4.170 2.094 1.979 3.388 . 0 0 "[ . 1 . 2]" 2
772 1 25 LYS HB2 1 25 LYS QD . . 3.640 3.519 3.319 3.549 . 0 0 "[ . 1 . 2]" 2
773 1 25 LYS QD 1 28 LEU MD2 . . 3.850 2.129 1.968 3.684 . 0 0 "[ . 1 . 2]" 2
774 1 27 ASN H 1 27 ASN QD . . 4.910 4.476 3.946 4.574 . 0 0 "[ . 1 . 2]" 2
775 1 28 LEU HG 1 32 GLN QE . . 4.080 2.312 1.938 3.499 . 0 0 "[ . 1 . 2]" 2
776 1 28 LEU MD1 1 32 GLN QE . . 3.340 2.078 1.878 2.458 . 0 0 "[ . 1 . 2]" 2
777 1 28 LEU MD2 1 32 GLN QE . . 3.750 2.492 2.234 3.198 . 0 0 "[ . 1 . 2]" 2
778 1 29 THR HA 1 32 GLN QE . . 4.460 3.510 2.934 4.318 . 0 0 "[ . 1 . 2]" 2
779 1 29 THR MG 1 32 GLN QE . . 5.340 4.843 4.364 5.335 . 0 0 "[ . 1 . 2]" 2
780 1 30 GLN HA 1 33 ARG QG . . 3.560 2.139 2.015 2.274 . 0 0 "[ . 1 . 2]" 2
781 1 31 HIS HA 1 33 ARG QG . . 4.670 4.392 4.166 4.572 . 0 0 "[ . 1 . 2]" 2
782 1 32 GLN H 1 33 ARG QG . . 4.910 3.919 3.762 4.083 . 0 0 "[ . 1 . 2]" 2
783 1 32 GLN HB2 1 32 GLN QE . . 4.290 4.062 3.889 4.169 . 0 0 "[ . 1 . 2]" 2
784 1 32 GLN HB3 1 32 GLN QE . . 4.370 3.859 3.370 3.964 . 0 0 "[ . 1 . 2]" 2
785 1 32 GLN QE 1 32 GLN QG . . 3.090 2.187 2.067 2.223 . 0 0 "[ . 1 . 2]" 2
786 1 33 ARG HA 1 33 ARG QG . . 3.340 2.681 2.417 3.026 . 0 0 "[ . 1 . 2]" 2
787 1 33 ARG QG 1 34 ILE H . . 4.510 4.003 3.849 4.097 . 0 0 "[ . 1 . 2]" 2
788 1 33 ARG QG 1 34 ILE MG . . 4.630 4.374 4.233 4.483 . 0 0 "[ . 1 . 2]" 2
789 1 36 THR MG 1 37 GLY QA . . 5.340 4.830 3.014 5.100 . 0 0 "[ . 1 . 2]" 2
790 1 38 GLU H 1 38 GLU QB . . 3.480 2.545 2.124 3.147 . 0 0 "[ . 1 . 2]" 2
791 1 38 GLU H 1 38 GLU QG . . 4.280 3.352 1.954 4.112 . 0 0 "[ . 1 . 2]" 2
792 1 38 GLU HA 1 38 GLU QG . . 3.570 2.681 2.196 3.385 . 0 0 "[ . 1 . 2]" 2
793 1 38 GLU QB 1 39 LYS H . . 3.960 3.539 2.784 3.979 0.019 12 0 "[ . 1 . 2]" 2
794 1 38 GLU QG 1 39 LYS H . . 4.920 3.642 2.269 4.683 . 0 0 "[ . 1 . 2]" 2
795 1 39 LYS H 1 39 LYS QB . . 3.500 2.636 2.237 3.037 . 0 0 "[ . 1 . 2]" 2
796 1 39 LYS HA 1 40 PRO QD . . 2.970 2.051 1.964 2.124 . 0 0 "[ . 1 . 2]" 2
797 1 39 LYS QB 1 40 PRO QD . . 3.390 2.276 1.969 3.261 . 0 0 "[ . 1 . 2]" 2
798 1 39 LYS QD 1 40 PRO QD . . 4.910 3.754 1.911 4.612 . 0 0 "[ . 1 . 2]" 2
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