NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507666 |
2en1   |
10230 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2en1
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 119
_Distance_constraint_stats_list.Viol_total 6.229
_Distance_constraint_stats_list.Viol_max 0.007
_Distance_constraint_stats_list.Viol_rms 0.0017
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0026
_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 0.139 0.005 11 0 "[ . 1 . 2]"
1 18 CYS 0.108 0.006 12 0 "[ . 1 . 2]"
1 31 HIS 0.066 0.006 18 0 "[ . 1 . 2]"
1 35 HIS 0.105 0.007 18 0 "[ . 1 . 2]"
2 1 ZN 0.205 0.007 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 15 CYS SG 2 1 ZN ZN . 2.330 2.370 2.327 2.325 2.331 0.005 11 0 "[ . 1 . 2]" 1
2 1 18 CYS SG 2 1 ZN ZN . 2.330 2.370 2.328 2.324 2.332 0.006 12 0 "[ . 1 . 2]" 1
3 1 31 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.328 2.324 2.332 0.006 12 0 "[ . 1 . 2]" 1
4 1 35 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.327 2.323 2.329 0.007 18 0 "[ . 1 . 2]" 1
5 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.299 3.270 3.326 . 0 0 "[ . 1 . 2]" 1
6 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.399 3.253 3.512 0.002 17 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.200 4.000 4.001 3.962 4.005 0.005 3 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.200 4.000 3.579 3.296 3.809 . 0 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.200 4.000 4.001 3.990 4.003 0.003 14 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.200 4.000 3.599 3.467 3.708 . 0 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.200 4.000 3.594 3.500 3.764 . 0 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.200 4.000 3.945 3.809 4.006 0.006 18 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 927
_Distance_constraint_stats_list.Viol_count 848
_Distance_constraint_stats_list.Viol_total 310.010
_Distance_constraint_stats_list.Viol_max 0.100
_Distance_constraint_stats_list.Viol_rms 0.0056
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0183
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.048 0.017 6 0 "[ . 1 . 2]"
1 11 LYS 0.529 0.083 17 0 "[ . 1 . 2]"
1 12 PRO 0.180 0.025 15 0 "[ . 1 . 2]"
1 13 PHE 0.801 0.045 14 0 "[ . 1 . 2]"
1 14 LYS 0.931 0.039 20 0 "[ . 1 . 2]"
1 15 CYS 0.517 0.037 3 0 "[ . 1 . 2]"
1 16 GLU 1.390 0.052 20 0 "[ . 1 . 2]"
1 17 GLU 1.300 0.067 15 0 "[ . 1 . 2]"
1 18 CYS 0.712 0.052 20 0 "[ . 1 . 2]"
1 19 GLY 1.610 0.067 15 0 "[ . 1 . 2]"
1 20 LYS 0.632 0.031 3 0 "[ . 1 . 2]"
1 21 ARG 2.376 0.093 17 0 "[ . 1 . 2]"
1 22 PHE 2.478 0.093 17 0 "[ . 1 . 2]"
1 23 THR 0.150 0.029 14 0 "[ . 1 . 2]"
1 24 GLN 1.670 0.047 14 0 "[ . 1 . 2]"
1 25 ASN 0.699 0.047 14 0 "[ . 1 . 2]"
1 26 SER 0.245 0.033 18 0 "[ . 1 . 2]"
1 27 GLN 0.496 0.043 19 0 "[ . 1 . 2]"
1 28 LEU 2.338 0.043 19 0 "[ . 1 . 2]"
1 29 HIS 0.651 0.100 18 0 "[ . 1 . 2]"
1 30 SER 0.594 0.100 18 0 "[ . 1 . 2]"
1 31 HIS 2.598 0.098 13 0 "[ . 1 . 2]"
1 32 GLN 2.840 0.098 13 0 "[ . 1 . 2]"
1 33 ARG 0.462 0.030 12 0 "[ . 1 . 2]"
1 34 VAL 2.491 0.088 18 0 "[ . 1 . 2]"
1 35 HIS 0.928 0.058 6 0 "[ . 1 . 2]"
1 36 THR 0.098 0.026 13 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.158 0.068 7 0 "[ . 1 . 2]"
1 39 LYS 0.168 0.068 7 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 29 HIS H 1 30 SER H . . 3.110 2.676 2.641 2.741 . 0 0 "[ . 1 . 2]" 2
2 1 27 GLN HB2 1 30 SER H . . 5.500 5.316 5.278 5.387 . 0 0 "[ . 1 . 2]" 2
3 1 27 GLN HB3 1 30 SER H . . 5.500 5.264 5.202 5.315 . 0 0 "[ . 1 . 2]" 2
4 1 28 LEU HB3 1 30 SER H . . 4.650 4.635 4.605 4.671 0.021 3 0 "[ . 1 . 2]" 2
5 1 28 LEU HB2 1 30 SER H . . 5.500 5.487 5.454 5.518 0.018 18 0 "[ . 1 . 2]" 2
6 1 28 LEU MD1 1 30 SER H . . 5.170 4.996 4.889 5.068 . 0 0 "[ . 1 . 2]" 2
7 1 30 SER H 1 31 HIS HA . . 5.230 5.044 5.007 5.088 . 0 0 "[ . 1 . 2]" 2
8 1 30 SER H 1 30 SER QB . . 2.730 2.231 2.157 2.298 . 0 0 "[ . 1 . 2]" 2
9 1 28 LEU HA 1 30 SER H . . 4.140 4.047 4.009 4.102 . 0 0 "[ . 1 . 2]" 2
10 1 29 HIS QB 1 30 SER H . . 3.060 2.896 2.812 2.949 . 0 0 "[ . 1 . 2]" 2
11 1 30 SER H 1 31 HIS HB2 . . 5.270 5.219 5.178 5.259 . 0 0 "[ . 1 . 2]" 2
12 1 28 LEU HG 1 30 SER H . . 5.420 5.081 4.979 5.145 . 0 0 "[ . 1 . 2]" 2
13 1 27 GLN H 1 29 HIS H . . 4.390 4.274 4.181 4.383 . 0 0 "[ . 1 . 2]" 2
14 1 27 GLN H 1 30 SER H . . 4.630 4.529 4.452 4.587 . 0 0 "[ . 1 . 2]" 2
15 1 27 GLN H 1 27 GLN HE21 . . 4.950 3.973 3.928 4.016 . 0 0 "[ . 1 . 2]" 2
16 1 22 PHE QD 1 27 GLN H . . 5.500 5.095 4.991 5.145 . 0 0 "[ . 1 . 2]" 2
17 1 24 GLN HE21 1 27 GLN H . . 5.500 4.683 4.336 5.264 . 0 0 "[ . 1 . 2]" 2
18 1 27 GLN H 1 27 GLN HE22 . . 5.500 5.505 5.467 5.537 0.037 19 0 "[ . 1 . 2]" 2
19 1 26 SER QB 1 27 GLN H . . 3.730 2.659 2.531 2.775 . 0 0 "[ . 1 . 2]" 2
20 1 22 PHE HB3 1 27 GLN H . . 4.620 4.349 4.223 4.427 . 0 0 "[ . 1 . 2]" 2
21 1 25 ASN HA 1 27 GLN H . . 4.340 4.052 3.942 4.254 . 0 0 "[ . 1 . 2]" 2
22 1 27 GLN H 1 29 HIS QB . . 4.990 4.942 4.858 4.999 0.009 12 0 "[ . 1 . 2]" 2
23 1 27 GLN H 1 27 GLN HG3 . . 3.370 2.408 2.325 2.508 . 0 0 "[ . 1 . 2]" 2
24 1 27 GLN H 1 27 GLN HB2 . . 2.680 2.424 2.365 2.463 . 0 0 "[ . 1 . 2]" 2
25 1 27 GLN H 1 27 GLN HB3 . . 3.730 3.586 3.573 3.596 . 0 0 "[ . 1 . 2]" 2
26 1 27 GLN H 1 28 LEU HB2 . . 5.500 5.277 5.206 5.374 . 0 0 "[ . 1 . 2]" 2
27 1 22 PHE QE 1 31 HIS H . . 5.140 4.594 4.398 4.683 . 0 0 "[ . 1 . 2]" 2
28 1 31 HIS H 1 31 HIS HB3 . . 2.550 2.224 2.208 2.233 . 0 0 "[ . 1 . 2]" 2
29 1 28 LEU HB3 1 31 HIS H . . 5.460 5.282 5.246 5.318 . 0 0 "[ . 1 . 2]" 2
30 1 28 LEU HB2 1 31 HIS H . . 5.500 5.491 5.445 5.518 0.018 7 0 "[ . 1 . 2]" 2
31 1 31 HIS H 1 34 VAL MG1 . . 5.460 5.174 5.100 5.257 . 0 0 "[ . 1 . 2]" 2
32 1 31 HIS H 1 32 GLN H . . 2.960 2.333 2.285 2.444 . 0 0 "[ . 1 . 2]" 2
33 1 31 HIS H 1 33 ARG H . . 4.110 3.855 3.796 3.971 . 0 0 "[ . 1 . 2]" 2
34 1 31 HIS H 1 31 HIS HD2 . . 4.620 4.385 4.326 4.513 . 0 0 "[ . 1 . 2]" 2
35 1 22 PHE HZ 1 31 HIS H . . 5.170 4.727 4.512 4.825 . 0 0 "[ . 1 . 2]" 2
36 1 29 HIS HA 1 31 HIS H . . 4.390 4.050 3.963 4.248 . 0 0 "[ . 1 . 2]" 2
37 1 30 SER QB 1 31 HIS H . . 3.060 2.995 2.890 3.076 0.016 13 0 "[ . 1 . 2]" 2
38 1 31 HIS H 1 32 GLN HA . . 5.300 4.960 4.917 5.057 . 0 0 "[ . 1 . 2]" 2
39 1 31 HIS H 1 32 GLN QG . . 4.560 4.274 4.138 4.402 . 0 0 "[ . 1 . 2]" 2
40 1 31 HIS H 1 32 GLN HB2 . . 4.520 4.247 4.181 4.371 . 0 0 "[ . 1 . 2]" 2
41 1 27 GLN HB3 1 31 HIS H . . 5.500 5.367 5.218 5.413 . 0 0 "[ . 1 . 2]" 2
42 1 28 LEU HG 1 31 HIS H . . 5.380 5.043 4.994 5.178 . 0 0 "[ . 1 . 2]" 2
43 1 28 LEU MD1 1 31 HIS H . . 4.240 4.104 3.993 4.205 . 0 0 "[ . 1 . 2]" 2
44 1 16 GLU H 1 32 GLN HE22 . . 5.000 4.062 3.683 4.487 . 0 0 "[ . 1 . 2]" 2
45 1 32 GLN H 1 32 GLN HE21 . . 5.110 4.828 4.288 5.038 . 0 0 "[ . 1 . 2]" 2
46 1 15 CYS HA 1 32 GLN HE21 . . 4.040 2.474 2.112 3.381 . 0 0 "[ . 1 . 2]" 2
47 1 15 CYS HA 1 32 GLN HE22 . . 4.340 3.847 3.600 4.224 . 0 0 "[ . 1 . 2]" 2
48 1 29 HIS HA 1 32 GLN HE21 . . 4.940 4.520 3.440 4.876 . 0 0 "[ . 1 . 2]" 2
49 1 29 HIS HA 1 32 GLN HE22 . . 5.280 4.517 4.068 5.165 . 0 0 "[ . 1 . 2]" 2
50 1 32 GLN HE21 1 32 GLN QG . . 3.030 2.232 2.093 2.269 . 0 0 "[ . 1 . 2]" 2
51 1 32 GLN HE22 1 32 GLN QG . . 3.490 3.218 3.216 3.232 . 0 0 "[ . 1 . 2]" 2
52 1 32 GLN HB3 1 32 GLN HE22 . . 4.790 4.654 4.514 4.717 . 0 0 "[ . 1 . 2]" 2
53 1 28 LEU HG 1 32 GLN HE21 . . 4.210 2.514 1.892 2.982 . 0 0 "[ . 1 . 2]" 2
54 1 28 LEU HG 1 32 GLN HE22 . . 4.490 3.197 2.969 3.777 . 0 0 "[ . 1 . 2]" 2
55 1 28 LEU MD2 1 32 GLN HE22 . . 3.850 2.985 2.704 3.391 . 0 0 "[ . 1 . 2]" 2
56 1 28 LEU MD1 1 32 GLN HE22 . . 4.260 3.355 3.223 3.500 . 0 0 "[ . 1 . 2]" 2
57 1 28 LEU MD1 1 32 GLN HE21 . . 3.530 1.882 1.866 1.928 . 0 0 "[ . 1 . 2]" 2
58 1 16 GLU H 1 32 GLN HE21 . . 5.100 3.446 2.919 4.347 . 0 0 "[ . 1 . 2]" 2
59 1 32 GLN HA 1 32 GLN HE21 . . 4.920 4.887 4.838 4.967 0.047 13 0 "[ . 1 . 2]" 2
60 1 32 GLN HB3 1 32 GLN HE21 . . 4.530 4.407 4.265 4.458 . 0 0 "[ . 1 . 2]" 2
61 1 38 GLU H 1 39 LYS H . . 4.570 3.909 2.337 4.571 0.001 4 0 "[ . 1 . 2]" 2
62 1 38 GLU H 1 38 GLU HG2 . . 5.450 4.195 1.960 5.121 . 0 0 "[ . 1 . 2]" 2
63 1 38 GLU H 1 38 GLU HG3 . . 5.450 4.064 2.835 4.773 . 0 0 "[ . 1 . 2]" 2
64 1 10 GLU H 1 10 GLU HG2 . . 5.340 3.549 2.171 5.050 . 0 0 "[ . 1 . 2]" 2
65 1 10 GLU H 1 10 GLU HG3 . . 5.340 3.498 2.032 4.632 . 0 0 "[ . 1 . 2]" 2
66 1 16 GLU H 1 17 GLU H . . 3.260 2.627 2.518 2.719 . 0 0 "[ . 1 . 2]" 2
67 1 17 GLU H 1 35 HIS HD2 . . 5.360 5.104 4.919 5.347 . 0 0 "[ . 1 . 2]" 2
68 1 17 GLU H 1 18 CYS HA . . 5.410 5.345 5.324 5.368 . 0 0 "[ . 1 . 2]" 2
69 1 15 CYS HA 1 17 GLU H . . 3.690 3.434 3.337 3.558 . 0 0 "[ . 1 . 2]" 2
70 1 17 GLU H 1 17 GLU HA . . 2.910 2.781 2.771 2.791 . 0 0 "[ . 1 . 2]" 2
71 1 15 CYS HB3 1 17 GLU H . . 4.320 4.137 4.070 4.206 . 0 0 "[ . 1 . 2]" 2
72 1 15 CYS HB2 1 17 GLU H . . 4.810 4.716 4.692 4.757 . 0 0 "[ . 1 . 2]" 2
73 1 16 GLU HB2 1 17 GLU H . . 3.620 3.007 2.945 3.093 . 0 0 "[ . 1 . 2]" 2
74 1 17 GLU H 1 17 GLU HG2 . . 3.760 2.699 2.602 2.768 . 0 0 "[ . 1 . 2]" 2
75 1 17 GLU H 1 17 GLU HG3 . . 3.510 2.173 2.124 2.221 . 0 0 "[ . 1 . 2]" 2
76 1 17 GLU H 1 17 GLU HB2 . . 2.950 2.673 2.646 2.709 . 0 0 "[ . 1 . 2]" 2
77 1 17 GLU H 1 28 LEU MD1 . . 4.660 4.449 4.394 4.503 . 0 0 "[ . 1 . 2]" 2
78 1 36 THR H 1 37 GLY H . . 4.420 2.976 2.366 3.352 . 0 0 "[ . 1 . 2]" 2
79 1 35 HIS HD2 1 36 THR H . . 5.270 5.061 4.882 5.147 . 0 0 "[ . 1 . 2]" 2
80 1 15 CYS H 1 16 GLU HA . . 5.500 5.291 5.248 5.338 . 0 0 "[ . 1 . 2]" 2
81 1 33 ARG HA 1 36 THR H . . 4.140 3.113 2.961 3.278 . 0 0 "[ . 1 . 2]" 2
82 1 15 CYS H 1 20 LYS HA . . 5.180 4.292 4.269 4.351 . 0 0 "[ . 1 . 2]" 2
83 1 34 VAL HA 1 36 THR H . . 4.860 4.124 3.871 4.377 . 0 0 "[ . 1 . 2]" 2
84 1 35 HIS HB3 1 36 THR H . . 4.090 3.858 3.760 3.955 . 0 0 "[ . 1 . 2]" 2
85 1 15 CYS H 1 28 LEU HA . . 5.500 5.507 5.464 5.527 0.027 6 0 "[ . 1 . 2]" 2
86 1 35 HIS HB2 1 36 THR H . . 3.930 3.043 2.935 3.176 . 0 0 "[ . 1 . 2]" 2
87 1 36 THR H 1 36 THR MG . . 3.530 2.453 2.237 2.672 . 0 0 "[ . 1 . 2]" 2
88 1 34 VAL MG2 1 36 THR H . . 5.290 4.159 4.082 4.249 . 0 0 "[ . 1 . 2]" 2
89 1 15 CYS H 1 16 GLU H . . 4.540 4.304 4.196 4.424 . 0 0 "[ . 1 . 2]" 2
90 1 15 CYS H 1 22 PHE QD . . 4.080 3.770 3.713 3.824 . 0 0 "[ . 1 . 2]" 2
91 1 15 CYS H 1 22 PHE QE . . 3.780 2.907 2.753 2.998 . 0 0 "[ . 1 . 2]" 2
92 1 27 GLN HE21 1 28 LEU H . . 4.440 4.299 4.237 4.400 . 0 0 "[ . 1 . 2]" 2
93 1 15 CYS H 1 21 ARG HA . . 3.390 3.157 3.104 3.230 . 0 0 "[ . 1 . 2]" 2
94 1 14 LYS HA 1 15 CYS H . . 2.520 2.156 2.150 2.164 . 0 0 "[ . 1 . 2]" 2
95 1 23 THR HB 1 27 GLN HE22 . . 4.780 3.675 3.450 4.011 . 0 0 "[ . 1 . 2]" 2
96 1 23 THR HA 1 27 GLN HE21 . . 5.500 4.585 4.421 4.761 . 0 0 "[ . 1 . 2]" 2
97 1 23 THR HB 1 27 GLN HE21 . . 5.500 4.461 4.333 4.691 . 0 0 "[ . 1 . 2]" 2
98 1 15 CYS H 1 19 GLY HA2 . . 4.650 4.250 4.136 4.310 . 0 0 "[ . 1 . 2]" 2
99 1 15 CYS H 1 15 CYS HB3 . . 2.790 2.572 2.531 2.615 . 0 0 "[ . 1 . 2]" 2
100 1 15 CYS H 1 15 CYS HB2 . . 2.870 2.528 2.476 2.586 . 0 0 "[ . 1 . 2]" 2
101 1 27 GLN HE21 1 27 GLN HG3 . . 3.530 2.641 2.563 2.697 . 0 0 "[ . 1 . 2]" 2
102 1 27 GLN HE22 1 27 GLN HG3 . . 3.800 3.653 3.618 3.678 . 0 0 "[ . 1 . 2]" 2
103 1 27 GLN HB2 1 27 GLN HE21 . . 3.580 2.162 2.081 2.264 . 0 0 "[ . 1 . 2]" 2
104 1 27 GLN HB2 1 27 GLN HE22 . . 3.720 3.680 3.637 3.721 0.001 5 0 "[ . 1 . 2]" 2
105 1 27 GLN HB3 1 27 GLN HE21 . . 4.710 2.947 2.833 3.093 . 0 0 "[ . 1 . 2]" 2
106 1 27 GLN HB3 1 27 GLN HE22 . . 5.110 3.803 3.744 3.871 . 0 0 "[ . 1 . 2]" 2
107 1 14 LYS HB3 1 15 CYS H . . 4.430 4.221 4.192 4.251 . 0 0 "[ . 1 . 2]" 2
108 1 14 LYS HD3 1 15 CYS H . . 5.380 5.150 5.067 5.292 . 0 0 "[ . 1 . 2]" 2
109 1 23 THR MG 1 27 GLN HE22 . . 5.060 1.885 1.797 1.988 . 0 0 "[ . 1 . 2]" 2
110 1 15 CYS H 1 21 ARG HG2 . . 4.240 4.007 3.849 4.118 . 0 0 "[ . 1 . 2]" 2
111 1 14 LYS HG3 1 15 CYS H . . 3.660 3.394 3.277 3.487 . 0 0 "[ . 1 . 2]" 2
112 1 14 LYS HG2 1 15 CYS H . . 3.520 2.823 2.755 2.945 . 0 0 "[ . 1 . 2]" 2
113 1 15 CYS H 1 28 LEU MD1 . . 3.690 2.532 2.425 2.674 . 0 0 "[ . 1 . 2]" 2
114 1 15 CYS H 1 19 GLY HA3 . . 5.500 5.508 5.419 5.537 0.037 3 0 "[ . 1 . 2]" 2
115 1 27 GLN HA 1 27 GLN HE21 . . 5.110 4.747 4.692 4.815 . 0 0 "[ . 1 . 2]" 2
116 1 24 GLN HE21 1 25 ASN HD21 . . 4.620 2.401 1.973 3.298 . 0 0 "[ . 1 . 2]" 2
117 1 24 GLN HE21 1 25 ASN HD22 . . 4.620 3.020 2.610 3.586 . 0 0 "[ . 1 . 2]" 2
118 1 24 GLN HE21 1 25 ASN HA . . 5.130 4.704 4.509 4.856 . 0 0 "[ . 1 . 2]" 2
119 1 24 GLN HE21 1 25 ASN HB3 . . 4.630 4.122 3.790 4.632 0.002 14 0 "[ . 1 . 2]" 2
120 1 24 GLN HE22 1 25 ASN HB3 . . 5.100 4.265 3.837 4.886 . 0 0 "[ . 1 . 2]" 2
121 1 15 CYS H 1 21 ARG H . . 4.950 4.162 4.135 4.206 . 0 0 "[ . 1 . 2]" 2
122 1 21 ARG H 1 22 PHE H . . 4.430 4.383 4.365 4.405 . 0 0 "[ . 1 . 2]" 2
123 1 20 LYS H 1 21 ARG H . . 4.590 4.553 4.536 4.571 . 0 0 "[ . 1 . 2]" 2
124 1 21 ARG H 1 22 PHE QD . . 4.900 4.118 4.021 4.202 . 0 0 "[ . 1 . 2]" 2
125 1 21 ARG H 1 22 PHE QE . . 4.820 3.737 3.625 3.861 . 0 0 "[ . 1 . 2]" 2
126 1 14 LYS HA 1 21 ARG H . . 4.500 4.390 4.359 4.425 . 0 0 "[ . 1 . 2]" 2
127 1 11 LYS QE 1 21 ARG H . . 5.500 4.936 4.081 5.561 0.061 17 0 "[ . 1 . 2]" 2
128 1 15 CYS HB2 1 21 ARG H . . 5.500 4.962 4.863 5.087 . 0 0 "[ . 1 . 2]" 2
129 1 21 ARG H 1 21 ARG HB2 . . 3.300 2.867 2.817 2.908 . 0 0 "[ . 1 . 2]" 2
130 1 21 ARG H 1 21 ARG HG3 . . 3.430 3.400 3.298 3.436 0.006 6 0 "[ . 1 . 2]" 2
131 1 20 LYS HB3 1 21 ARG H . . 3.070 2.056 1.997 2.132 . 0 0 "[ . 1 . 2]" 2
132 1 20 LYS HG2 1 21 ARG H . . 3.580 3.364 3.320 3.401 . 0 0 "[ . 1 . 2]" 2
133 1 36 THR MG 1 37 GLY H . . 5.200 4.220 3.747 4.369 . 0 0 "[ . 1 . 2]" 2
134 1 36 THR HB 1 37 GLY H . . 4.540 4.291 3.654 4.506 . 0 0 "[ . 1 . 2]" 2
135 1 29 HIS H 1 31 HIS H . . 4.400 4.073 4.029 4.157 . 0 0 "[ . 1 . 2]" 2
136 1 13 PHE QD 1 29 HIS H . . 5.500 5.488 5.394 5.523 0.023 18 0 "[ . 1 . 2]" 2
137 1 22 PHE QD 1 29 HIS H . . 5.500 5.428 5.381 5.515 0.015 18 0 "[ . 1 . 2]" 2
138 1 29 HIS H 1 29 HIS HA . . 2.910 2.791 2.768 2.803 . 0 0 "[ . 1 . 2]" 2
139 1 29 HIS H 1 30 SER QB . . 4.630 4.458 4.418 4.550 . 0 0 "[ . 1 . 2]" 2
140 1 25 ASN HA 1 29 HIS H . . 3.880 3.635 3.544 3.720 . 0 0 "[ . 1 . 2]" 2
141 1 29 HIS H 1 29 HIS QB . . 2.510 2.296 2.191 2.469 . 0 0 "[ . 1 . 2]" 2
142 1 22 PHE HB2 1 29 HIS H . . 5.500 5.488 5.393 5.539 0.039 2 0 "[ . 1 . 2]" 2
143 1 27 GLN HB2 1 29 HIS H . . 5.360 5.055 5.001 5.171 . 0 0 "[ . 1 . 2]" 2
144 1 25 ASN HB2 1 29 HIS H . . 4.570 4.288 4.194 4.449 . 0 0 "[ . 1 . 2]" 2
145 1 28 LEU HB3 1 29 HIS H . . 2.930 2.357 2.314 2.419 . 0 0 "[ . 1 . 2]" 2
146 1 28 LEU HG 1 29 HIS H . . 3.590 3.174 3.002 3.254 . 0 0 "[ . 1 . 2]" 2
147 1 28 LEU HB2 1 29 HIS H . . 3.970 3.798 3.770 3.839 . 0 0 "[ . 1 . 2]" 2
148 1 32 GLN QG 1 33 ARG H . . 4.640 4.396 4.359 4.448 . 0 0 "[ . 1 . 2]" 2
149 1 33 ARG H 1 34 VAL MG2 . . 4.500 4.141 4.053 4.221 . 0 0 "[ . 1 . 2]" 2
150 1 13 PHE H 1 22 PHE H . . 3.410 3.397 3.315 3.454 0.044 15 0 "[ . 1 . 2]" 2
151 1 32 GLN H 1 33 ARG H . . 3.010 2.787 2.763 2.814 . 0 0 "[ . 1 . 2]" 2
152 1 33 ARG H 1 34 VAL H . . 3.020 2.704 2.633 2.756 . 0 0 "[ . 1 . 2]" 2
153 1 33 ARG H 1 36 THR H . . 5.070 4.969 4.783 5.090 0.020 13 0 "[ . 1 . 2]" 2
154 1 13 PHE H 1 13 PHE QD . . 3.000 2.452 2.323 2.620 . 0 0 "[ . 1 . 2]" 2
155 1 13 PHE H 1 21 ARG HA . . 5.130 4.971 4.847 5.077 . 0 0 "[ . 1 . 2]" 2
156 1 13 PHE H 1 14 LYS HA . . 5.460 5.166 5.055 5.254 . 0 0 "[ . 1 . 2]" 2
157 1 11 LYS HA 1 13 PHE H . . 3.730 3.600 3.476 3.710 . 0 0 "[ . 1 . 2]" 2
158 1 29 HIS HA 1 33 ARG H . . 4.990 4.846 4.747 4.972 . 0 0 "[ . 1 . 2]" 2
159 1 31 HIS HA 1 33 ARG H . . 4.010 3.626 3.504 3.702 . 0 0 "[ . 1 . 2]" 2
160 1 12 PRO HA 1 13 PHE H . . 3.510 3.452 3.418 3.492 . 0 0 "[ . 1 . 2]" 2
161 1 33 ARG H 1 33 ARG HA . . 2.830 2.784 2.766 2.809 . 0 0 "[ . 1 . 2]" 2
162 1 12 PRO HD2 1 13 PHE H . . 3.170 2.722 2.666 2.777 . 0 0 "[ . 1 . 2]" 2
163 1 13 PHE H 1 21 ARG QD . . 5.430 5.173 4.954 5.382 . 0 0 "[ . 1 . 2]" 2
164 1 33 ARG H 1 33 ARG QD . . 3.970 3.843 3.726 3.977 0.007 11 0 "[ . 1 . 2]" 2
165 1 31 HIS HB2 1 33 ARG H . . 5.500 5.434 5.327 5.498 . 0 0 "[ . 1 . 2]" 2
166 1 13 PHE H 1 13 PHE HB2 . . 2.800 2.590 2.538 2.638 . 0 0 "[ . 1 . 2]" 2
167 1 13 PHE H 1 22 PHE HB2 . . 4.920 4.726 4.608 4.863 . 0 0 "[ . 1 . 2]" 2
168 1 32 GLN HB2 1 33 ARG H . . 3.600 3.103 3.026 3.235 . 0 0 "[ . 1 . 2]" 2
169 1 12 PRO HB3 1 13 PHE H . . 4.560 4.305 4.228 4.364 . 0 0 "[ . 1 . 2]" 2
170 1 12 PRO HG2 1 13 PHE H . . 4.390 2.760 2.566 2.914 . 0 0 "[ . 1 . 2]" 2
171 1 33 ARG H 1 33 ARG HG3 . . 2.700 1.951 1.886 2.097 . 0 0 "[ . 1 . 2]" 2
172 1 33 ARG H 1 33 ARG HG2 . . 3.200 2.596 2.370 2.829 . 0 0 "[ . 1 . 2]" 2
173 1 11 LYS HB2 1 13 PHE H . . 4.380 4.119 3.875 4.312 . 0 0 "[ . 1 . 2]" 2
174 1 33 ARG H 1 36 THR MG . . 5.120 4.603 3.869 5.062 . 0 0 "[ . 1 . 2]" 2
175 1 12 PRO HB2 1 13 PHE H . . 3.750 3.618 3.484 3.718 . 0 0 "[ . 1 . 2]" 2
176 1 33 ARG H 1 34 VAL MG1 . . 4.380 3.865 3.772 3.924 . 0 0 "[ . 1 . 2]" 2
177 1 32 GLN H 1 35 HIS H . . 5.500 5.534 5.511 5.558 0.058 6 0 "[ . 1 . 2]" 2
178 1 35 HIS H 1 36 THR H . . 3.180 2.353 2.184 2.470 . 0 0 "[ . 1 . 2]" 2
179 1 35 HIS H 1 36 THR HA . . 5.170 5.018 4.841 5.113 . 0 0 "[ . 1 . 2]" 2
180 1 32 GLN HA 1 35 HIS H . . 3.620 3.486 3.424 3.555 . 0 0 "[ . 1 . 2]" 2
181 1 35 HIS H 1 35 HIS HB3 . . 3.710 3.591 3.565 3.644 . 0 0 "[ . 1 . 2]" 2
182 1 35 HIS H 1 35 HIS HB2 . . 2.960 2.353 2.299 2.445 . 0 0 "[ . 1 . 2]" 2
183 1 32 GLN QG 1 35 HIS H . . 5.390 5.197 5.085 5.280 . 0 0 "[ . 1 . 2]" 2
184 1 32 GLN HB3 1 35 HIS H . . 4.710 4.668 4.593 4.740 0.030 18 0 "[ . 1 . 2]" 2
185 1 34 VAL MG2 1 35 HIS H . . 3.460 2.205 1.949 2.380 . 0 0 "[ . 1 . 2]" 2
186 1 35 HIS H 1 37 GLY H . . 5.010 4.496 3.816 4.853 . 0 0 "[ . 1 . 2]" 2
187 1 35 HIS H 1 35 HIS HD2 . . 3.690 3.059 2.859 3.324 . 0 0 "[ . 1 . 2]" 2
188 1 33 ARG HA 1 35 HIS H . . 3.980 3.853 3.700 3.988 0.008 13 0 "[ . 1 . 2]" 2
189 1 35 HIS H 1 36 THR MG . . 4.320 3.856 3.567 4.148 . 0 0 "[ . 1 . 2]" 2
190 1 34 VAL MG1 1 35 HIS H . . 3.920 3.837 3.786 3.914 . 0 0 "[ . 1 . 2]" 2
191 1 14 LYS H 1 15 CYS H . . 4.390 4.235 4.189 4.276 . 0 0 "[ . 1 . 2]" 2
192 1 13 PHE H 1 14 LYS H . . 4.520 4.466 4.398 4.521 0.001 7 0 "[ . 1 . 2]" 2
193 1 13 PHE QD 1 14 LYS H . . 4.710 4.239 4.143 4.348 . 0 0 "[ . 1 . 2]" 2
194 1 14 LYS H 1 22 PHE QD . . 5.160 4.543 4.434 4.642 . 0 0 "[ . 1 . 2]" 2
195 1 13 PHE HB3 1 14 LYS H . . 3.500 3.164 2.989 3.278 . 0 0 "[ . 1 . 2]" 2
196 1 13 PHE HB2 1 14 LYS H . . 4.160 4.073 3.965 4.132 . 0 0 "[ . 1 . 2]" 2
197 1 14 LYS H 1 14 LYS HB3 . . 2.900 2.765 2.717 2.815 . 0 0 "[ . 1 . 2]" 2
198 1 14 LYS H 1 14 LYS HB2 . . 3.450 3.319 3.259 3.363 . 0 0 "[ . 1 . 2]" 2
199 1 14 LYS H 1 21 ARG HG2 . . 5.500 5.240 5.119 5.366 . 0 0 "[ . 1 . 2]" 2
200 1 14 LYS H 1 28 LEU MD2 . . 3.320 2.462 2.321 2.610 . 0 0 "[ . 1 . 2]" 2
201 1 14 LYS H 1 21 ARG HA . . 4.660 4.454 4.403 4.500 . 0 0 "[ . 1 . 2]" 2
202 1 14 LYS H 1 14 LYS HD3 . . 5.260 5.112 5.037 5.222 . 0 0 "[ . 1 . 2]" 2
203 1 22 PHE H 1 22 PHE QD . . 2.890 2.787 2.670 2.852 . 0 0 "[ . 1 . 2]" 2
204 1 22 PHE H 1 22 PHE QE . . 4.780 4.745 4.675 4.786 0.006 19 0 "[ . 1 . 2]" 2
205 1 21 ARG HA 1 22 PHE H . . 2.560 2.327 2.288 2.371 . 0 0 "[ . 1 . 2]" 2
206 1 14 LYS HA 1 22 PHE H . . 3.720 3.657 3.556 3.727 0.007 3 0 "[ . 1 . 2]" 2
207 1 11 LYS HA 1 22 PHE H . . 4.920 4.822 4.624 4.944 0.024 2 0 "[ . 1 . 2]" 2
208 1 21 ARG QD 1 22 PHE H . . 4.510 4.344 4.190 4.451 . 0 0 "[ . 1 . 2]" 2
209 1 13 PHE HB3 1 22 PHE H . . 4.190 4.001 3.850 4.199 0.009 14 0 "[ . 1 . 2]" 2
210 1 13 PHE HB2 1 22 PHE H . . 3.500 2.728 2.588 2.869 . 0 0 "[ . 1 . 2]" 2
211 1 22 PHE H 1 22 PHE HB2 . . 3.080 3.046 2.982 3.090 0.010 8 0 "[ . 1 . 2]" 2
212 1 21 ARG HB2 1 22 PHE H . . 3.890 3.749 3.685 3.825 . 0 0 "[ . 1 . 2]" 2
213 1 11 LYS HB2 1 22 PHE H . . 3.850 3.457 3.323 3.635 . 0 0 "[ . 1 . 2]" 2
214 1 11 LYS HB3 1 22 PHE H . . 3.220 2.345 2.150 2.537 . 0 0 "[ . 1 . 2]" 2
215 1 21 ARG HB3 1 22 PHE H . . 3.620 2.620 2.505 2.723 . 0 0 "[ . 1 . 2]" 2
216 1 21 ARG HG2 1 22 PHE H . . 4.270 4.200 4.091 4.294 0.024 18 0 "[ . 1 . 2]" 2
217 1 22 PHE H 1 28 LEU HB2 . . 4.630 4.355 4.232 4.449 . 0 0 "[ . 1 . 2]" 2
218 1 22 PHE H 1 28 LEU MD2 . . 4.990 4.573 4.378 4.829 . 0 0 "[ . 1 . 2]" 2
219 1 22 PHE H 1 28 LEU MD1 . . 5.470 4.788 4.634 4.970 . 0 0 "[ . 1 . 2]" 2
220 1 15 CYS H 1 22 PHE H . . 5.250 5.099 4.994 5.182 . 0 0 "[ . 1 . 2]" 2
221 1 34 VAL H 1 35 HIS H . . 2.910 2.672 2.642 2.715 . 0 0 "[ . 1 . 2]" 2
222 1 34 VAL H 1 35 HIS HD2 . . 4.850 4.446 4.264 4.600 . 0 0 "[ . 1 . 2]" 2
223 1 31 HIS HA 1 34 VAL H . . 3.950 3.675 3.614 3.719 . 0 0 "[ . 1 . 2]" 2
224 1 33 ARG HA 1 34 VAL H . . 3.550 3.496 3.486 3.506 . 0 0 "[ . 1 . 2]" 2
225 1 32 GLN HA 1 34 VAL H . . 4.000 3.813 3.790 3.834 . 0 0 "[ . 1 . 2]" 2
226 1 33 ARG QD 1 34 VAL H . . 5.410 5.061 4.884 5.331 . 0 0 "[ . 1 . 2]" 2
227 1 34 VAL H 1 35 HIS HB2 . . 5.500 4.799 4.719 4.882 . 0 0 "[ . 1 . 2]" 2
228 1 31 HIS HB2 1 34 VAL H . . 5.500 5.569 5.547 5.588 0.088 18 0 "[ . 1 . 2]" 2
229 1 32 GLN QG 1 34 VAL H . . 5.500 5.526 5.510 5.543 0.043 13 0 "[ . 1 . 2]" 2
230 1 32 GLN HB2 1 34 VAL H . . 5.500 5.245 5.207 5.319 . 0 0 "[ . 1 . 2]" 2
231 1 32 GLN HB3 1 34 VAL H . . 5.500 5.241 5.222 5.269 . 0 0 "[ . 1 . 2]" 2
232 1 33 ARG HB2 1 34 VAL H . . 2.900 2.837 2.787 2.896 . 0 0 "[ . 1 . 2]" 2
233 1 34 VAL H 1 34 VAL MG1 . . 2.920 1.897 1.863 1.978 . 0 0 "[ . 1 . 2]" 2
234 1 34 VAL H 1 34 VAL MG2 . . 2.910 2.327 2.245 2.461 . 0 0 "[ . 1 . 2]" 2
235 1 15 CYS HA 1 16 GLU H . . 2.930 2.176 2.141 2.220 . 0 0 "[ . 1 . 2]" 2
236 1 15 CYS HB3 1 16 GLU H . . 4.830 4.373 4.296 4.424 . 0 0 "[ . 1 . 2]" 2
237 1 15 CYS HB2 1 16 GLU H . . 4.570 4.496 4.388 4.572 0.002 3 0 "[ . 1 . 2]" 2
238 1 16 GLU H 1 16 GLU HG2 . . 4.120 2.990 2.050 3.501 . 0 0 "[ . 1 . 2]" 2
239 1 16 GLU H 1 16 GLU HG3 . . 4.120 2.429 2.056 3.625 . 0 0 "[ . 1 . 2]" 2
240 1 16 GLU H 1 16 GLU HB3 . . 3.710 3.581 3.513 3.602 . 0 0 "[ . 1 . 2]" 2
241 1 16 GLU H 1 16 GLU HB2 . . 3.370 2.632 2.546 2.938 . 0 0 "[ . 1 . 2]" 2
242 1 16 GLU H 1 28 LEU HG . . 5.500 5.508 5.453 5.527 0.027 15 0 "[ . 1 . 2]" 2
243 1 16 GLU H 1 28 LEU MD1 . . 4.110 3.694 3.619 3.758 . 0 0 "[ . 1 . 2]" 2
244 1 38 GLU HG2 1 39 LYS H . . 5.500 4.034 2.053 5.339 . 0 0 "[ . 1 . 2]" 2
245 1 38 GLU HG3 1 39 LYS H . . 5.500 3.937 2.192 5.463 . 0 0 "[ . 1 . 2]" 2
246 1 39 LYS H 1 39 LYS HB2 . . 3.920 3.156 2.195 3.930 0.010 18 0 "[ . 1 . 2]" 2
247 1 16 GLU H 1 17 GLU HG3 . . 5.230 4.020 3.919 4.141 . 0 0 "[ . 1 . 2]" 2
248 1 39 LYS H 1 39 LYS HB3 . . 3.920 3.255 2.325 3.879 . 0 0 "[ . 1 . 2]" 2
249 1 39 LYS H 1 39 LYS QG . . 4.060 2.838 1.888 3.996 . 0 0 "[ . 1 . 2]" 2
250 1 30 SER H 1 32 GLN H . . 4.520 4.048 3.989 4.116 . 0 0 "[ . 1 . 2]" 2
251 1 31 HIS HD2 1 32 GLN H . . 3.740 3.157 2.992 3.294 . 0 0 "[ . 1 . 2]" 2
252 1 32 GLN H 1 35 HIS HD2 . . 4.950 4.861 4.734 4.934 . 0 0 "[ . 1 . 2]" 2
253 1 29 HIS HA 1 32 GLN H . . 3.620 3.515 3.466 3.580 . 0 0 "[ . 1 . 2]" 2
254 1 30 SER HA 1 32 GLN H . . 4.770 4.657 4.553 4.725 . 0 0 "[ . 1 . 2]" 2
255 1 30 SER QB 1 32 GLN H . . 5.130 4.996 4.843 5.101 . 0 0 "[ . 1 . 2]" 2
256 1 31 HIS HB3 1 32 GLN H . . 2.990 2.814 2.785 2.843 . 0 0 "[ . 1 . 2]" 2
257 1 31 HIS HB2 1 32 GLN H . . 4.150 4.084 4.063 4.107 . 0 0 "[ . 1 . 2]" 2
258 1 32 GLN H 1 32 GLN QG . . 2.810 2.461 2.414 2.540 . 0 0 "[ . 1 . 2]" 2
259 1 32 GLN H 1 32 GLN HB2 . . 2.830 2.349 2.313 2.383 . 0 0 "[ . 1 . 2]" 2
260 1 32 GLN H 1 33 ARG HG3 . . 4.390 3.973 3.881 4.107 . 0 0 "[ . 1 . 2]" 2
261 1 28 LEU HG 1 32 GLN H . . 4.780 4.371 4.273 4.530 . 0 0 "[ . 1 . 2]" 2
262 1 28 LEU MD1 1 32 GLN H . . 3.970 3.464 3.341 3.579 . 0 0 "[ . 1 . 2]" 2
263 1 23 THR H 1 24 GLN H . . 3.460 2.420 2.342 2.449 . 0 0 "[ . 1 . 2]" 2
264 1 13 PHE QD 1 24 GLN H . . 3.630 3.378 3.242 3.506 . 0 0 "[ . 1 . 2]" 2
265 1 24 GLN H 1 27 GLN HE22 . . 4.800 3.201 3.075 3.399 . 0 0 "[ . 1 . 2]" 2
266 1 24 GLN H 1 27 GLN H . . 4.230 4.206 4.075 4.248 0.018 16 0 "[ . 1 . 2]" 2
267 1 23 THR HA 1 24 GLN H . . 3.370 3.367 3.335 3.399 0.029 14 0 "[ . 1 . 2]" 2
268 1 22 PHE HB3 1 24 GLN H . . 3.080 2.672 2.640 2.711 . 0 0 "[ . 1 . 2]" 2
269 1 13 PHE HB2 1 24 GLN H . . 4.580 3.963 3.795 4.072 . 0 0 "[ . 1 . 2]" 2
270 1 22 PHE HB2 1 24 GLN H . . 3.470 2.963 2.883 3.027 . 0 0 "[ . 1 . 2]" 2
271 1 24 GLN H 1 27 GLN HG3 . . 3.910 3.674 3.551 3.798 . 0 0 "[ . 1 . 2]" 2
272 1 24 GLN H 1 27 GLN HB2 . . 3.030 3.013 2.913 3.048 0.018 19 0 "[ . 1 . 2]" 2
273 1 24 GLN H 1 24 GLN HB2 . . 3.640 2.675 2.644 2.710 . 0 0 "[ . 1 . 2]" 2
274 1 24 GLN H 1 24 GLN HB3 . . 3.640 3.662 3.641 3.683 0.043 13 0 "[ . 1 . 2]" 2
275 1 23 THR MG 1 24 GLN H . . 3.770 2.558 2.411 2.747 . 0 0 "[ . 1 . 2]" 2
276 1 24 GLN H 1 28 LEU HB2 . . 5.450 5.323 5.262 5.388 . 0 0 "[ . 1 . 2]" 2
277 1 32 GLN H 1 34 VAL MG2 . . 5.220 4.537 4.492 4.603 . 0 0 "[ . 1 . 2]" 2
278 1 15 CYS HA 1 20 LYS H . . 4.750 4.687 4.647 4.747 . 0 0 "[ . 1 . 2]" 2
279 1 16 GLU HA 1 20 LYS H . . 5.500 5.504 5.471 5.531 0.031 3 0 "[ . 1 . 2]" 2
280 1 22 PHE HB2 1 23 THR H . . 4.230 3.639 3.529 3.708 . 0 0 "[ . 1 . 2]" 2
281 1 20 LYS H 1 21 ARG HG3 . . 5.500 5.481 5.408 5.521 0.021 6 0 "[ . 1 . 2]" 2
282 1 15 CYS H 1 20 LYS H . . 3.820 3.309 3.260 3.369 . 0 0 "[ . 1 . 2]" 2
283 1 13 PHE QD 1 23 THR H . . 4.720 4.545 4.316 4.647 . 0 0 "[ . 1 . 2]" 2
284 1 22 PHE QD 1 23 THR H . . 5.030 4.251 4.200 4.316 . 0 0 "[ . 1 . 2]" 2
285 1 20 LYS H 1 22 PHE QE . . 4.530 4.511 4.454 4.552 0.022 17 0 "[ . 1 . 2]" 2
286 1 20 LYS H 1 22 PHE HZ . . 5.500 5.382 5.255 5.477 . 0 0 "[ . 1 . 2]" 2
287 1 18 CYS HA 1 20 LYS H . . 5.100 4.987 4.939 5.013 . 0 0 "[ . 1 . 2]" 2
288 1 14 LYS HA 1 20 LYS H . . 5.410 5.106 5.049 5.185 . 0 0 "[ . 1 . 2]" 2
289 1 23 THR H 1 23 THR HB . . 4.070 2.631 2.549 2.802 . 0 0 "[ . 1 . 2]" 2
290 1 19 GLY HA3 1 20 LYS H . . 3.520 3.405 3.379 3.423 . 0 0 "[ . 1 . 2]" 2
291 1 20 LYS H 1 20 LYS HA . . 2.940 2.825 2.813 2.835 . 0 0 "[ . 1 . 2]" 2
292 1 19 GLY HA2 1 20 LYS H . . 3.500 3.119 3.091 3.156 . 0 0 "[ . 1 . 2]" 2
293 1 22 PHE HB3 1 23 THR H . . 3.840 2.734 2.607 2.817 . 0 0 "[ . 1 . 2]" 2
294 1 15 CYS HB3 1 20 LYS H . . 2.950 1.932 1.893 1.991 . 0 0 "[ . 1 . 2]" 2
295 1 23 THR H 1 27 GLN HB2 . . 4.880 4.119 4.030 4.221 . 0 0 "[ . 1 . 2]" 2
296 1 23 THR H 1 23 THR MG . . 3.820 2.173 2.023 2.280 . 0 0 "[ . 1 . 2]" 2
297 1 20 LYS H 1 20 LYS HB2 . . 2.710 2.166 2.151 2.181 . 0 0 "[ . 1 . 2]" 2
298 1 20 LYS H 1 20 LYS HB3 . . 3.490 3.478 3.465 3.490 0.000 17 0 "[ . 1 . 2]" 2
299 1 20 LYS H 1 20 LYS HG2 . . 3.910 3.743 3.681 3.817 . 0 0 "[ . 1 . 2]" 2
300 1 11 LYS QE 1 23 THR H . . 5.500 4.780 3.305 5.502 0.002 4 0 "[ . 1 . 2]" 2
301 1 13 PHE HB2 1 23 THR H . . 5.500 4.833 4.660 4.940 . 0 0 "[ . 1 . 2]" 2
302 1 16 GLU H 1 18 CYS H . . 4.760 4.716 4.612 4.772 0.012 15 0 "[ . 1 . 2]" 2
303 1 15 CYS H 1 18 CYS H . . 5.470 5.356 5.289 5.420 . 0 0 "[ . 1 . 2]" 2
304 1 17 GLU H 1 18 CYS H . . 2.950 2.861 2.820 2.904 . 0 0 "[ . 1 . 2]" 2
305 1 18 CYS H 1 19 GLY H . . 2.470 1.983 1.953 2.019 . 0 0 "[ . 1 . 2]" 2
306 1 18 CYS H 1 35 HIS HD2 . . 4.880 4.659 4.456 4.859 . 0 0 "[ . 1 . 2]" 2
307 1 15 CYS HA 1 18 CYS H . . 4.870 4.694 4.615 4.779 . 0 0 "[ . 1 . 2]" 2
308 1 18 CYS H 1 19 GLY HA3 . . 4.840 4.670 4.642 4.701 . 0 0 "[ . 1 . 2]" 2
309 1 18 CYS H 1 19 GLY HA2 . . 4.300 4.202 4.169 4.239 . 0 0 "[ . 1 . 2]" 2
310 1 15 CYS HB3 1 18 CYS H . . 3.410 3.189 3.109 3.263 . 0 0 "[ . 1 . 2]" 2
311 1 18 CYS H 1 18 CYS HB3 . . 3.150 3.074 2.991 3.145 . 0 0 "[ . 1 . 2]" 2
312 1 16 GLU HB2 1 18 CYS H . . 5.500 5.532 5.496 5.552 0.052 20 0 "[ . 1 . 2]" 2
313 1 17 GLU HG2 1 18 CYS H . . 4.830 4.616 4.568 4.643 . 0 0 "[ . 1 . 2]" 2
314 1 17 GLU HG3 1 18 CYS H . . 4.200 3.963 3.892 4.008 . 0 0 "[ . 1 . 2]" 2
315 1 17 GLU HB2 1 18 CYS H . . 3.080 2.316 2.258 2.359 . 0 0 "[ . 1 . 2]" 2
316 1 18 CYS H 1 28 LEU MD1 . . 5.370 5.212 5.159 5.278 . 0 0 "[ . 1 . 2]" 2
317 1 15 CYS H 1 19 GLY H . . 4.260 4.194 4.157 4.232 . 0 0 "[ . 1 . 2]" 2
318 1 17 GLU H 1 19 GLY H . . 4.020 4.026 3.943 4.042 0.022 12 0 "[ . 1 . 2]" 2
319 1 19 GLY H 1 20 LYS H . . 2.820 1.851 1.826 1.912 . 0 0 "[ . 1 . 2]" 2
320 1 18 CYS HA 1 19 GLY H . . 3.530 3.532 3.524 3.536 0.006 15 0 "[ . 1 . 2]" 2
321 1 15 CYS HA 1 19 GLY H . . 4.850 4.609 4.579 4.627 . 0 0 "[ . 1 . 2]" 2
322 1 16 GLU HA 1 19 GLY H . . 4.330 4.221 4.120 4.266 . 0 0 "[ . 1 . 2]" 2
323 1 19 GLY H 1 20 LYS HA . . 4.840 4.549 4.523 4.609 . 0 0 "[ . 1 . 2]" 2
324 1 19 GLY H 1 19 GLY HA2 . . 2.570 2.508 2.480 2.525 . 0 0 "[ . 1 . 2]" 2
325 1 15 CYS HB3 1 19 GLY H . . 3.240 2.522 2.481 2.587 . 0 0 "[ . 1 . 2]" 2
326 1 17 GLU HG3 1 19 GLY H . . 5.500 5.470 5.380 5.513 0.013 18 0 "[ . 1 . 2]" 2
327 1 19 GLY H 1 20 LYS HG3 . . 4.780 4.384 4.315 4.509 . 0 0 "[ . 1 . 2]" 2
328 1 17 GLU HB2 1 19 GLY H . . 4.190 4.171 4.133 4.196 0.006 19 0 "[ . 1 . 2]" 2
329 1 14 LYS HG3 1 19 GLY H . . 5.340 5.245 5.127 5.333 . 0 0 "[ . 1 . 2]" 2
330 1 14 LYS HG2 1 19 GLY H . . 4.440 4.394 4.278 4.457 0.017 2 0 "[ . 1 . 2]" 2
331 1 28 LEU H 1 29 HIS H . . 2.870 2.859 2.827 2.886 0.016 16 0 "[ . 1 . 2]" 2
332 1 28 LEU H 1 30 SER H . . 4.050 3.893 3.848 3.939 . 0 0 "[ . 1 . 2]" 2
333 1 28 LEU H 1 31 HIS H . . 4.730 4.698 4.653 4.738 0.008 12 0 "[ . 1 . 2]" 2
334 1 22 PHE QD 1 28 LEU H . . 3.810 3.668 3.640 3.734 . 0 0 "[ . 1 . 2]" 2
335 1 27 GLN H 1 28 LEU H . . 2.860 2.729 2.600 2.836 . 0 0 "[ . 1 . 2]" 2
336 1 26 SER QB 1 28 LEU H . . 5.170 5.007 4.915 5.092 . 0 0 "[ . 1 . 2]" 2
337 1 25 ASN HA 1 28 LEU H . . 3.590 3.328 3.269 3.415 . 0 0 "[ . 1 . 2]" 2
338 1 13 PHE HB3 1 28 LEU H . . 4.830 4.389 4.249 4.487 . 0 0 "[ . 1 . 2]" 2
339 1 28 LEU H 1 29 HIS QB . . 5.290 4.651 4.570 4.782 . 0 0 "[ . 1 . 2]" 2
340 1 13 PHE HB2 1 28 LEU H . . 4.780 4.563 4.470 4.668 . 0 0 "[ . 1 . 2]" 2
341 1 22 PHE HB2 1 28 LEU H . . 3.650 2.943 2.882 2.993 . 0 0 "[ . 1 . 2]" 2
342 1 27 GLN HB2 1 28 LEU H . . 3.140 2.341 2.307 2.435 . 0 0 "[ . 1 . 2]" 2
343 1 24 GLN HB2 1 28 LEU H . . 5.500 5.286 5.203 5.409 . 0 0 "[ . 1 . 2]" 2
344 1 25 ASN HB2 1 28 LEU H . . 5.500 5.253 5.207 5.294 . 0 0 "[ . 1 . 2]" 2
345 1 28 LEU H 1 28 LEU HB3 . . 2.780 2.380 2.324 2.402 . 0 0 "[ . 1 . 2]" 2
346 1 24 GLN HB3 1 28 LEU H . . 5.500 5.090 5.026 5.195 . 0 0 "[ . 1 . 2]" 2
347 1 28 LEU H 1 28 LEU HG . . 4.440 4.403 4.351 4.422 . 0 0 "[ . 1 . 2]" 2
348 1 28 LEU H 1 28 LEU HB2 . . 2.910 2.632 2.608 2.697 . 0 0 "[ . 1 . 2]" 2
349 1 28 LEU H 1 29 HIS HA . . 5.500 5.414 5.391 5.434 . 0 0 "[ . 1 . 2]" 2
350 1 10 GLU HA 1 11 LYS H . . 3.520 2.200 2.138 2.332 . 0 0 "[ . 1 . 2]" 2
351 1 22 PHE HB3 1 28 LEU H . . 3.880 3.373 3.322 3.479 . 0 0 "[ . 1 . 2]" 2
352 1 11 LYS H 1 11 LYS HG2 . . 5.170 4.393 3.973 4.772 . 0 0 "[ . 1 . 2]" 2
353 1 11 LYS H 1 11 LYS HG3 . . 5.170 3.348 2.958 3.781 . 0 0 "[ . 1 . 2]" 2
354 1 24 GLN H 1 28 LEU H . . 4.340 4.366 4.350 4.375 0.035 11 0 "[ . 1 . 2]" 2
355 1 22 PHE QD 1 27 GLN HE22 . . 4.230 3.911 3.745 4.056 . 0 0 "[ . 1 . 2]" 2
356 1 21 ARG HA 1 22 PHE QD . . 3.690 2.897 2.758 3.052 . 0 0 "[ . 1 . 2]" 2
357 1 14 LYS HA 1 22 PHE QD . . 4.310 3.488 3.408 3.595 . 0 0 "[ . 1 . 2]" 2
358 1 22 PHE QD 1 28 LEU HA . . 3.590 3.089 3.030 3.159 . 0 0 "[ . 1 . 2]" 2
359 1 22 PHE QD 1 27 GLN HB2 . . 3.570 3.031 2.918 3.200 . 0 0 "[ . 1 . 2]" 2
360 1 22 PHE QD 1 27 GLN HB3 . . 3.310 1.993 1.984 1.999 . 0 0 "[ . 1 . 2]" 2
361 1 22 PHE QD 1 28 LEU MD2 . . 3.570 3.083 2.963 3.262 . 0 0 "[ . 1 . 2]" 2
362 1 11 LYS HA 1 11 LYS HG2 . . 3.810 2.622 2.433 2.756 . 0 0 "[ . 1 . 2]" 2
363 1 11 LYS HA 1 11 LYS HG3 . . 3.810 2.773 2.471 3.197 . 0 0 "[ . 1 . 2]" 2
364 1 11 LYS HG2 1 12 PRO HD3 . . 5.500 4.621 4.397 4.801 . 0 0 "[ . 1 . 2]" 2
365 1 11 LYS HG3 1 12 PRO HD3 . . 5.500 5.004 4.590 5.494 . 0 0 "[ . 1 . 2]" 2
366 1 11 LYS QE 1 11 LYS HG2 . . 3.740 3.024 2.279 3.482 . 0 0 "[ . 1 . 2]" 2
367 1 13 PHE QD 1 25 ASN HB3 . . 4.240 3.422 2.756 3.765 . 0 0 "[ . 1 . 2]" 2
368 1 11 LYS HG2 1 21 ARG HB2 . . 4.990 4.882 4.674 4.998 0.008 18 0 "[ . 1 . 2]" 2
369 1 11 LYS HG3 1 21 ARG HB2 . . 4.990 4.592 4.096 4.888 . 0 0 "[ . 1 . 2]" 2
370 1 12 PRO HG2 1 13 PHE QD . . 4.450 2.166 2.024 2.287 . 0 0 "[ . 1 . 2]" 2
371 1 18 CYS HA 1 19 GLY HA3 . . 4.940 4.540 4.530 4.547 . 0 0 "[ . 1 . 2]" 2
372 1 18 CYS HA 1 19 GLY HA2 . . 5.210 5.042 5.023 5.063 . 0 0 "[ . 1 . 2]" 2
373 1 13 PHE QD 1 23 THR HA . . 4.110 3.174 2.934 3.342 . 0 0 "[ . 1 . 2]" 2
374 1 16 GLU HA 1 19 GLY HA2 . . 4.410 3.573 3.517 3.613 . 0 0 "[ . 1 . 2]" 2
375 1 16 GLU HA 1 19 GLY HA3 . . 5.270 5.061 4.980 5.123 . 0 0 "[ . 1 . 2]" 2
376 1 12 PRO HD2 1 13 PHE QD . . 3.760 2.886 2.792 3.045 . 0 0 "[ . 1 . 2]" 2
377 1 18 CYS HB2 1 19 GLY HA3 . . 5.500 4.656 4.607 4.715 . 0 0 "[ . 1 . 2]" 2
378 1 14 LYS HD3 1 19 GLY HA2 . . 4.540 4.101 3.992 4.185 . 0 0 "[ . 1 . 2]" 2
379 1 14 LYS HG3 1 19 GLY HA3 . . 4.580 4.570 4.463 4.596 0.016 6 0 "[ . 1 . 2]" 2
380 1 14 LYS HG3 1 19 GLY HA2 . . 4.090 3.509 3.430 3.557 . 0 0 "[ . 1 . 2]" 2
381 1 14 LYS HG2 1 19 GLY HA3 . . 4.570 4.441 4.376 4.524 . 0 0 "[ . 1 . 2]" 2
382 1 14 LYS HG2 1 19 GLY HA2 . . 4.040 2.871 2.803 2.924 . 0 0 "[ . 1 . 2]" 2
383 1 12 PRO HB2 1 13 PHE QE . . 4.490 3.998 3.716 4.177 . 0 0 "[ . 1 . 2]" 2
384 1 14 LYS H 1 14 LYS HG3 . . 4.940 4.887 4.837 4.921 . 0 0 "[ . 1 . 2]" 2
385 1 14 LYS H 1 14 LYS HG2 . . 4.880 4.391 4.344 4.462 . 0 0 "[ . 1 . 2]" 2
386 1 14 LYS HA 1 14 LYS HG3 . . 3.710 2.808 2.683 2.893 . 0 0 "[ . 1 . 2]" 2
387 1 14 LYS HA 1 14 LYS HG2 . . 3.900 2.959 2.896 3.018 . 0 0 "[ . 1 . 2]" 2
388 1 14 LYS HG3 1 21 ARG HG3 . . 4.070 3.423 3.256 3.523 . 0 0 "[ . 1 . 2]" 2
389 1 14 LYS HG3 1 21 ARG HG2 . . 3.840 2.307 2.182 2.452 . 0 0 "[ . 1 . 2]" 2
390 1 14 LYS HG2 1 21 ARG HG2 . . 4.320 3.831 3.679 3.934 . 0 0 "[ . 1 . 2]" 2
391 1 14 LYS HA 1 22 PHE QE . . 5.040 4.044 3.858 4.177 . 0 0 "[ . 1 . 2]" 2
392 1 15 CYS HA 1 22 PHE QE . . 5.060 3.928 3.826 4.023 . 0 0 "[ . 1 . 2]" 2
393 1 20 LYS HA 1 22 PHE QE . . 5.130 4.855 4.757 4.945 . 0 0 "[ . 1 . 2]" 2
394 1 20 LYS HB2 1 22 PHE QE . . 3.980 2.944 2.832 3.017 . 0 0 "[ . 1 . 2]" 2
395 1 20 LYS HD3 1 22 PHE QE . . 4.840 3.350 3.153 3.591 . 0 0 "[ . 1 . 2]" 2
396 1 20 LYS HB3 1 22 PHE QE . . 3.880 2.687 2.537 2.812 . 0 0 "[ . 1 . 2]" 2
397 1 13 PHE HZ 1 24 GLN HE21 . . 4.470 3.911 2.732 4.468 . 0 0 "[ . 1 . 2]" 2
398 1 13 PHE HZ 1 25 ASN HB2 . . 4.970 4.824 4.406 5.001 0.031 14 0 "[ . 1 . 2]" 2
399 1 13 PHE HZ 1 25 ASN HB3 . . 4.210 3.146 2.805 3.668 . 0 0 "[ . 1 . 2]" 2
400 1 14 LYS H 1 28 LEU MD1 . . 4.370 3.969 3.785 4.143 . 0 0 "[ . 1 . 2]" 2
401 1 22 PHE QD 1 28 LEU MD1 . . 3.060 2.573 2.423 2.726 . 0 0 "[ . 1 . 2]" 2
402 1 28 LEU MD1 1 31 HIS HD2 . . 3.250 2.621 2.461 2.849 . 0 0 "[ . 1 . 2]" 2
403 1 22 PHE QE 1 28 LEU MD1 . . 3.270 1.816 1.770 1.924 . 0 0 "[ . 1 . 2]" 2
404 1 22 PHE HZ 1 28 LEU MD1 . . 4.770 3.220 3.025 3.375 . 0 0 "[ . 1 . 2]" 2
405 1 14 LYS HA 1 28 LEU MD1 . . 4.290 3.439 3.348 3.623 . 0 0 "[ . 1 . 2]" 2
406 1 15 CYS HA 1 28 LEU MD1 . . 3.070 1.933 1.908 1.982 . 0 0 "[ . 1 . 2]" 2
407 1 22 PHE HB3 1 28 LEU MD1 . . 5.500 5.264 5.187 5.394 . 0 0 "[ . 1 . 2]" 2
408 1 28 LEU HA 1 28 LEU MD1 . . 2.890 1.979 1.961 2.015 . 0 0 "[ . 1 . 2]" 2
409 1 15 CYS HB2 1 28 LEU MD1 . . 3.150 1.901 1.861 2.044 . 0 0 "[ . 1 . 2]" 2
410 1 22 PHE HB2 1 28 LEU MD1 . . 4.480 4.351 4.247 4.493 0.013 2 0 "[ . 1 . 2]" 2
411 1 28 LEU MD1 1 32 GLN HB3 . . 4.780 4.701 4.540 4.789 0.009 20 0 "[ . 1 . 2]" 2
412 1 28 LEU HB3 1 28 LEU MD1 . . 3.540 3.188 3.181 3.191 . 0 0 "[ . 1 . 2]" 2
413 1 13 PHE QE 1 23 THR MG . . 5.240 4.982 4.594 5.108 . 0 0 "[ . 1 . 2]" 2
414 1 13 PHE QD 1 23 THR MG . . 5.120 4.780 4.599 4.874 . 0 0 "[ . 1 . 2]" 2
415 1 23 THR MG 1 24 GLN HE21 . . 5.500 5.228 4.901 5.446 . 0 0 "[ . 1 . 2]" 2
416 1 22 PHE HB3 1 23 THR MG . . 5.030 3.899 3.762 4.038 . 0 0 "[ . 1 . 2]" 2
417 1 23 THR MG 1 24 GLN QG . . 3.690 2.662 2.377 2.992 . 0 0 "[ . 1 . 2]" 2
418 1 11 LYS QD 1 22 PHE HB2 . . 5.080 4.556 4.255 4.778 . 0 0 "[ . 1 . 2]" 2
419 1 22 PHE HB2 1 23 THR MG . . 5.500 4.809 4.680 4.955 . 0 0 "[ . 1 . 2]" 2
420 1 22 PHE H 1 22 PHE HB3 . . 4.120 3.983 3.951 4.006 . 0 0 "[ . 1 . 2]" 2
421 1 21 ARG HA 1 22 PHE HB3 . . 5.500 5.584 5.575 5.593 0.093 17 0 "[ . 1 . 2]" 2
422 1 21 ARG HA 1 22 PHE HB2 . . 4.690 4.637 4.619 4.671 . 0 0 "[ . 1 . 2]" 2
423 1 22 PHE HB2 1 23 THR HA . . 5.090 4.930 4.868 4.979 . 0 0 "[ . 1 . 2]" 2
424 1 22 PHE HB3 1 23 THR HA . . 5.430 4.971 4.913 5.007 . 0 0 "[ . 1 . 2]" 2
425 1 22 PHE HB3 1 23 THR HB . . 5.500 5.358 5.263 5.450 . 0 0 "[ . 1 . 2]" 2
426 1 22 PHE HB3 1 28 LEU HA . . 4.510 4.470 4.407 4.514 0.004 2 0 "[ . 1 . 2]" 2
427 1 22 PHE HB2 1 28 LEU HA . . 4.220 3.958 3.874 4.020 . 0 0 "[ . 1 . 2]" 2
428 1 13 PHE HB3 1 22 PHE HB3 . . 5.200 5.109 4.926 5.210 0.010 8 0 "[ . 1 . 2]" 2
429 1 13 PHE HB2 1 22 PHE HB3 . . 4.100 4.070 3.889 4.112 0.012 15 0 "[ . 1 . 2]" 2
430 1 13 PHE HB2 1 22 PHE HB2 . . 3.480 2.455 2.287 2.518 . 0 0 "[ . 1 . 2]" 2
431 1 22 PHE HB2 1 27 GLN HB2 . . 3.830 2.876 2.811 2.996 . 0 0 "[ . 1 . 2]" 2
432 1 22 PHE HB3 1 27 GLN HB2 . . 3.350 2.020 1.993 2.086 . 0 0 "[ . 1 . 2]" 2
433 1 22 PHE HB3 1 27 GLN HB3 . . 3.650 2.586 2.381 2.693 . 0 0 "[ . 1 . 2]" 2
434 1 22 PHE HB2 1 27 GLN HB3 . . 4.190 3.871 3.646 3.980 . 0 0 "[ . 1 . 2]" 2
435 1 22 PHE HB2 1 28 LEU HB3 . . 4.390 3.778 3.633 3.849 . 0 0 "[ . 1 . 2]" 2
436 1 11 LYS QD 1 22 PHE HB3 . . 5.010 4.423 4.068 4.825 . 0 0 "[ . 1 . 2]" 2
437 1 22 PHE HB3 1 28 LEU HB2 . . 4.240 4.040 3.961 4.162 . 0 0 "[ . 1 . 2]" 2
438 1 22 PHE HB2 1 28 LEU HB2 . . 3.870 2.670 2.564 2.810 . 0 0 "[ . 1 . 2]" 2
439 1 12 PRO HD2 1 23 THR HA . . 3.330 2.389 2.223 2.580 . 0 0 "[ . 1 . 2]" 2
440 1 23 THR HA 1 24 GLN QG . . 5.500 4.840 4.746 4.965 . 0 0 "[ . 1 . 2]" 2
441 1 12 PRO HG2 1 23 THR HA . . 4.980 3.847 3.592 4.053 . 0 0 "[ . 1 . 2]" 2
442 1 23 THR HA 1 23 THR MG . . 3.260 3.196 3.190 3.206 . 0 0 "[ . 1 . 2]" 2
443 1 30 SER HA 1 33 ARG QD . . 3.440 2.583 2.263 3.272 . 0 0 "[ . 1 . 2]" 2
444 1 21 ARG H 1 21 ARG QD . . 5.500 4.929 4.834 5.044 . 0 0 "[ . 1 . 2]" 2
445 1 21 ARG HA 1 21 ARG QD . . 4.030 3.737 3.675 3.786 . 0 0 "[ . 1 . 2]" 2
446 1 14 LYS HA 1 21 ARG QD . . 4.420 4.234 3.982 4.364 . 0 0 "[ . 1 . 2]" 2
447 1 21 ARG HB3 1 21 ARG QD . . 3.080 2.199 2.106 2.344 . 0 0 "[ . 1 . 2]" 2
448 1 14 LYS HG3 1 21 ARG QD . . 4.360 3.572 3.400 3.766 . 0 0 "[ . 1 . 2]" 2
449 1 14 LYS HG2 1 21 ARG QD . . 5.320 5.091 4.965 5.242 . 0 0 "[ . 1 . 2]" 2
450 1 22 PHE HZ 1 31 HIS HE1 . . 4.500 4.421 4.338 4.505 0.005 2 0 "[ . 1 . 2]" 2
451 1 21 ARG H 1 22 PHE HZ . . 5.180 4.372 4.291 4.510 . 0 0 "[ . 1 . 2]" 2
452 1 35 HIS HB2 1 36 THR MG . . 4.120 3.311 3.133 3.508 . 0 0 "[ . 1 . 2]" 2
453 1 22 PHE HZ 1 31 HIS HB3 . . 3.970 2.538 2.337 2.636 . 0 0 "[ . 1 . 2]" 2
454 1 22 PHE HZ 1 31 HIS HB2 . . 3.700 2.954 2.754 3.114 . 0 0 "[ . 1 . 2]" 2
455 1 20 LYS HB3 1 22 PHE HZ . . 3.800 2.776 2.666 2.907 . 0 0 "[ . 1 . 2]" 2
456 1 36 THR HA 1 36 THR MG . . 2.970 2.347 2.224 2.441 . 0 0 "[ . 1 . 2]" 2
457 1 33 ARG HA 1 36 THR MG . . 3.940 2.704 2.006 3.382 . 0 0 "[ . 1 . 2]" 2
458 1 35 HIS HB3 1 36 THR MG . . 4.500 3.935 3.707 4.301 . 0 0 "[ . 1 . 2]" 2
459 1 32 GLN QG 1 36 THR MG . . 5.370 5.182 4.848 5.336 . 0 0 "[ . 1 . 2]" 2
460 1 32 GLN HB3 1 36 THR MG . . 4.390 3.744 3.252 3.940 . 0 0 "[ . 1 . 2]" 2
461 1 12 PRO HA 1 13 PHE QD . . 5.330 5.077 4.978 5.177 . 0 0 "[ . 1 . 2]" 2
462 1 33 ARG H 1 34 VAL HA . . 5.500 5.281 5.220 5.326 . 0 0 "[ . 1 . 2]" 2
463 1 34 VAL HA 1 34 VAL HB . . 2.770 2.389 2.371 2.414 . 0 0 "[ . 1 . 2]" 2
464 1 34 VAL HA 1 34 VAL MG1 . . 2.940 2.489 2.458 2.507 . 0 0 "[ . 1 . 2]" 2
465 1 20 LYS HE2 1 31 HIS HE1 . . 5.210 4.226 2.490 5.125 . 0 0 "[ . 1 . 2]" 2
466 1 20 LYS HE3 1 31 HIS HE1 . . 5.210 4.483 2.682 5.160 . 0 0 "[ . 1 . 2]" 2
467 1 20 LYS HE2 1 22 PHE HZ . . 5.090 4.023 2.786 5.071 . 0 0 "[ . 1 . 2]" 2
468 1 20 LYS HE3 1 22 PHE HZ . . 5.090 4.284 2.970 5.100 0.010 9 0 "[ . 1 . 2]" 2
469 1 11 LYS HA 1 11 LYS QE . . 4.830 4.549 4.076 4.830 0.000 6 0 "[ . 1 . 2]" 2
470 1 39 LYS QE 1 39 LYS QG . . 3.430 2.234 2.067 2.611 . 0 0 "[ . 1 . 2]" 2
471 1 11 LYS QE 1 11 LYS HG3 . . 3.740 2.340 2.077 2.925 . 0 0 "[ . 1 . 2]" 2
472 1 20 LYS HE2 1 20 LYS HG2 . . 3.920 3.137 2.287 3.638 . 0 0 "[ . 1 . 2]" 2
473 1 20 LYS HE3 1 20 LYS HG2 . . 3.920 2.759 2.162 3.794 . 0 0 "[ . 1 . 2]" 2
474 1 11 LYS QE 1 22 PHE H . . 5.080 4.561 4.144 5.025 . 0 0 "[ . 1 . 2]" 2
475 1 14 LYS QE 1 19 GLY H . . 4.470 4.360 4.219 4.441 . 0 0 "[ . 1 . 2]" 2
476 1 14 LYS QE 1 20 LYS H . . 5.170 4.629 4.507 4.685 . 0 0 "[ . 1 . 2]" 2
477 1 14 LYS HA 1 14 LYS QE . . 5.030 4.799 4.668 4.953 . 0 0 "[ . 1 . 2]" 2
478 1 14 LYS QE 1 19 GLY HA3 . . 3.860 2.957 2.891 3.000 . 0 0 "[ . 1 . 2]" 2
479 1 14 LYS QE 1 19 GLY HA2 . . 3.480 2.061 1.968 2.281 . 0 0 "[ . 1 . 2]" 2
480 1 14 LYS HB3 1 14 LYS QE . . 4.040 3.969 3.905 4.017 . 0 0 "[ . 1 . 2]" 2
481 1 14 LYS QE 1 14 LYS HG3 . . 3.430 2.440 2.216 2.720 . 0 0 "[ . 1 . 2]" 2
482 1 14 LYS QE 1 14 LYS HG2 . . 3.390 2.456 2.356 2.545 . 0 0 "[ . 1 . 2]" 2
483 1 35 HIS HB2 1 35 HIS HD2 . . 3.260 2.742 2.706 2.789 . 0 0 "[ . 1 . 2]" 2
484 1 32 GLN QG 1 35 HIS HD2 . . 3.860 3.496 3.321 3.716 . 0 0 "[ . 1 . 2]" 2
485 1 32 GLN HB3 1 35 HIS HD2 . . 4.490 4.276 4.102 4.496 0.006 18 0 "[ . 1 . 2]" 2
486 1 17 GLU HG2 1 35 HIS HD2 . . 4.890 4.626 4.442 4.839 . 0 0 "[ . 1 . 2]" 2
487 1 17 GLU HB3 1 35 HIS HD2 . . 4.060 3.385 3.251 3.510 . 0 0 "[ . 1 . 2]" 2
488 1 17 GLU HB2 1 35 HIS HD2 . . 4.180 2.800 2.602 3.007 . 0 0 "[ . 1 . 2]" 2
489 1 34 VAL MG2 1 35 HIS HD2 . . 4.490 2.566 2.388 2.698 . 0 0 "[ . 1 . 2]" 2
490 1 15 CYS H 1 31 HIS HD2 . . 5.230 5.026 4.780 5.230 0.000 10 0 "[ . 1 . 2]" 2
491 1 31 HIS HD2 1 32 GLN HE21 . . 4.870 4.711 4.540 4.856 . 0 0 "[ . 1 . 2]" 2
492 1 22 PHE QE 1 31 HIS HD2 . . 3.570 3.154 2.959 3.499 . 0 0 "[ . 1 . 2]" 2
493 1 22 PHE HZ 1 31 HIS HD2 . . 4.460 2.755 2.570 2.971 . 0 0 "[ . 1 . 2]" 2
494 1 15 CYS HA 1 31 HIS HD2 . . 4.740 4.475 4.209 4.658 . 0 0 "[ . 1 . 2]" 2
495 1 31 HIS HB3 1 31 HIS HD2 . . 3.390 2.782 2.739 2.832 . 0 0 "[ . 1 . 2]" 2
496 1 15 CYS HB2 1 31 HIS HD2 . . 3.030 2.544 2.318 2.739 . 0 0 "[ . 1 . 2]" 2
497 1 31 HIS HD2 1 32 GLN HB2 . . 4.980 4.758 4.587 4.909 . 0 0 "[ . 1 . 2]" 2
498 1 34 VAL MG1 1 35 HIS HD2 . . 4.980 4.772 4.620 4.981 0.001 17 0 "[ . 1 . 2]" 2
499 1 33 ARG HA 1 34 VAL MG1 . . 4.880 4.836 4.798 4.887 0.007 17 0 "[ . 1 . 2]" 2
500 1 32 GLN HA 1 34 VAL MG1 . . 4.780 4.637 4.540 4.760 . 0 0 "[ . 1 . 2]" 2
501 1 31 HIS HB3 1 34 VAL MG1 . . 5.340 4.861 4.769 4.965 . 0 0 "[ . 1 . 2]" 2
502 1 33 ARG QD 1 34 VAL MG1 . . 5.500 5.017 4.783 5.405 . 0 0 "[ . 1 . 2]" 2
503 1 30 SER QB 1 33 ARG QD . . 5.290 4.115 3.716 4.633 . 0 0 "[ . 1 . 2]" 2
504 1 33 ARG HB3 1 34 VAL MG1 . . 5.250 4.652 4.615 4.718 . 0 0 "[ . 1 . 2]" 2
505 1 33 ARG HG3 1 34 VAL MG1 . . 5.500 4.455 4.337 4.642 . 0 0 "[ . 1 . 2]" 2
506 1 33 ARG HA 1 34 VAL MG2 . . 5.030 4.922 4.826 5.001 . 0 0 "[ . 1 . 2]" 2
507 1 34 VAL HA 1 34 VAL MG2 . . 3.210 3.191 3.181 3.197 . 0 0 "[ . 1 . 2]" 2
508 1 35 HIS HB3 1 36 THR HA . . 5.050 4.438 4.369 4.493 . 0 0 "[ . 1 . 2]" 2
509 1 35 HIS HB2 1 36 THR HA . . 4.930 4.583 4.388 4.691 . 0 0 "[ . 1 . 2]" 2
510 1 34 VAL MG2 1 35 HIS HB2 . . 4.760 3.604 3.485 3.676 . 0 0 "[ . 1 . 2]" 2
511 1 31 HIS HB2 1 34 VAL MG2 . . 5.140 4.736 4.464 4.839 . 0 0 "[ . 1 . 2]" 2
512 1 33 ARG HG3 1 34 VAL MG2 . . 5.500 5.507 5.436 5.530 0.030 12 0 "[ . 1 . 2]" 2
513 1 17 GLU HB3 1 34 VAL MG2 . . 5.040 5.049 5.014 5.063 0.023 6 0 "[ . 1 . 2]" 2
514 1 14 LYS H 1 28 LEU HB2 . . 5.500 4.726 4.609 4.822 . 0 0 "[ . 1 . 2]" 2
515 1 13 PHE QD 1 28 LEU HB3 . . 4.290 3.809 3.716 3.935 . 0 0 "[ . 1 . 2]" 2
516 1 22 PHE QD 1 28 LEU HB3 . . 4.660 3.774 3.703 3.912 . 0 0 "[ . 1 . 2]" 2
517 1 22 PHE QD 1 28 LEU HB2 . . 3.740 2.057 1.991 2.203 . 0 0 "[ . 1 . 2]" 2
518 1 27 GLN H 1 28 LEU HB3 . . 4.950 4.690 4.529 4.803 . 0 0 "[ . 1 . 2]" 2
519 1 22 PHE HB3 1 28 LEU HB3 . . 5.240 5.023 4.886 5.102 . 0 0 "[ . 1 . 2]" 2
520 1 25 ASN HA 1 28 LEU HB2 . . 4.210 3.905 3.825 4.020 . 0 0 "[ . 1 . 2]" 2
521 1 13 PHE HB3 1 28 LEU HB3 . . 3.810 3.093 2.976 3.182 . 0 0 "[ . 1 . 2]" 2
522 1 13 PHE HB3 1 28 LEU HB2 . . 3.770 2.670 2.597 2.772 . 0 0 "[ . 1 . 2]" 2
523 1 13 PHE HB2 1 28 LEU HB2 . . 4.000 3.304 3.202 3.383 . 0 0 "[ . 1 . 2]" 2
524 1 30 SER HA 1 33 ARG H . . 4.520 4.091 3.967 4.156 . 0 0 "[ . 1 . 2]" 2
525 1 30 SER HA 1 31 HIS HA . . 4.730 4.657 4.639 4.704 . 0 0 "[ . 1 . 2]" 2
526 1 30 SER HA 1 30 SER QB . . 2.760 2.349 2.260 2.499 . 0 0 "[ . 1 . 2]" 2
527 1 29 HIS QB 1 30 SER HA . . 4.570 3.961 3.937 3.987 . 0 0 "[ . 1 . 2]" 2
528 1 24 GLN QG 1 26 SER QB . . 5.030 4.396 4.082 4.791 . 0 0 "[ . 1 . 2]" 2
529 1 24 GLN HB2 1 26 SER QB . . 5.160 4.132 3.903 4.253 . 0 0 "[ . 1 . 2]" 2
530 1 30 SER HA 1 33 ARG HG2 . . 4.480 3.574 3.514 3.669 . 0 0 "[ . 1 . 2]" 2
531 1 24 GLN HB3 1 26 SER QB . . 5.160 3.117 2.918 3.360 . 0 0 "[ . 1 . 2]" 2
532 1 26 SER QB 1 29 HIS H . . 5.500 5.380 5.261 5.467 . 0 0 "[ . 1 . 2]" 2
533 1 26 SER HA 1 26 SER QB . . 2.700 2.389 2.294 2.471 . 0 0 "[ . 1 . 2]" 2
534 1 26 SER QB 1 29 HIS QB . . 5.020 4.710 4.601 4.810 . 0 0 "[ . 1 . 2]" 2
535 1 13 PHE H 1 13 PHE HB3 . . 3.900 3.711 3.676 3.759 . 0 0 "[ . 1 . 2]" 2
536 1 12 PRO HD2 1 13 PHE HB2 . . 5.050 4.494 4.458 4.520 . 0 0 "[ . 1 . 2]" 2
537 1 13 PHE HB3 1 28 LEU HA . . 5.280 5.040 4.978 5.143 . 0 0 "[ . 1 . 2]" 2
538 1 13 PHE HB2 1 28 LEU HA . . 5.500 5.481 5.404 5.519 0.019 17 0 "[ . 1 . 2]" 2
539 1 13 PHE HB3 1 22 PHE HB2 . . 3.810 3.360 3.186 3.461 . 0 0 "[ . 1 . 2]" 2
540 1 13 PHE HB2 1 28 LEU HB3 . . 4.250 4.164 3.926 4.254 0.004 6 0 "[ . 1 . 2]" 2
541 1 11 LYS HB2 1 13 PHE HB2 . . 5.500 5.422 5.176 5.510 0.010 14 0 "[ . 1 . 2]" 2
542 1 13 PHE HB3 1 28 LEU HG . . 4.570 4.445 4.297 4.587 0.017 10 0 "[ . 1 . 2]" 2
543 1 11 LYS QD 1 13 PHE HB2 . . 5.230 4.884 4.534 5.055 . 0 0 "[ . 1 . 2]" 2
544 1 13 PHE HB2 1 28 LEU MD2 . . 3.430 3.380 3.261 3.468 0.038 10 0 "[ . 1 . 2]" 2
545 1 26 SER HA 1 29 HIS H . . 4.090 4.006 3.907 4.096 0.006 14 0 "[ . 1 . 2]" 2
546 1 26 SER HA 1 30 SER H . . 4.800 4.070 3.952 4.196 . 0 0 "[ . 1 . 2]" 2
547 1 26 SER HA 1 28 LEU H . . 4.880 4.889 4.828 4.913 0.033 18 0 "[ . 1 . 2]" 2
548 1 26 SER HA 1 29 HIS QB . . 3.140 2.889 2.777 3.012 . 0 0 "[ . 1 . 2]" 2
549 1 13 PHE QE 1 25 ASN HB2 . . 4.320 3.277 2.715 3.651 . 0 0 "[ . 1 . 2]" 2
550 1 13 PHE QE 1 25 ASN HB3 . . 3.910 2.031 1.968 2.327 . 0 0 "[ . 1 . 2]" 2
551 1 13 PHE QD 1 25 ASN HB2 . . 4.180 3.902 3.387 4.225 0.045 14 0 "[ . 1 . 2]" 2
552 1 31 HIS HD2 1 32 GLN HA . . 3.540 3.117 2.867 3.392 . 0 0 "[ . 1 . 2]" 2
553 1 29 HIS HA 1 29 HIS HD2 . . 3.730 2.728 2.154 3.652 . 0 0 "[ . 1 . 2]" 2
554 1 32 GLN HA 1 35 HIS HD2 . . 3.100 2.258 2.124 2.378 . 0 0 "[ . 1 . 2]" 2
555 1 24 GLN HE22 1 25 ASN HB2 . . 5.500 5.518 5.460 5.541 0.041 11 0 "[ . 1 . 2]" 2
556 1 25 ASN HB2 1 27 GLN H . . 5.500 5.364 5.182 5.506 0.006 7 0 "[ . 1 . 2]" 2
557 1 32 GLN HA 1 33 ARG HA . . 5.060 4.856 4.824 4.880 . 0 0 "[ . 1 . 2]" 2
558 1 32 GLN HA 1 35 HIS HB3 . . 5.380 5.200 5.130 5.253 . 0 0 "[ . 1 . 2]" 2
559 1 32 GLN HA 1 35 HIS HB2 . . 4.050 3.577 3.497 3.641 . 0 0 "[ . 1 . 2]" 2
560 1 29 HIS HA 1 32 GLN QG . . 3.680 3.455 3.140 3.661 . 0 0 "[ . 1 . 2]" 2
561 1 32 GLN HA 1 32 GLN QG . . 3.060 2.300 2.232 2.339 . 0 0 "[ . 1 . 2]" 2
562 1 29 HIS HA 1 32 GLN HB2 . . 3.650 2.712 2.608 2.807 . 0 0 "[ . 1 . 2]" 2
563 1 28 LEU HB3 1 29 HIS HA . . 4.630 4.386 4.358 4.442 . 0 0 "[ . 1 . 2]" 2
564 1 17 GLU HG2 1 32 GLN HA . . 5.500 5.121 4.954 5.288 . 0 0 "[ . 1 . 2]" 2
565 1 28 LEU HG 1 29 HIS HA . . 3.970 3.319 3.197 3.378 . 0 0 "[ . 1 . 2]" 2
566 1 28 LEU MD1 1 29 HIS HA . . 4.400 4.223 4.022 4.328 . 0 0 "[ . 1 . 2]" 2
567 1 28 LEU MD1 1 32 GLN HA . . 4.670 4.175 4.082 4.267 . 0 0 "[ . 1 . 2]" 2
568 1 32 GLN HA 1 34 VAL MG2 . . 4.470 3.147 3.070 3.279 . 0 0 "[ . 1 . 2]" 2
569 1 22 PHE HZ 1 31 HIS HA . . 5.160 4.914 4.757 5.015 . 0 0 "[ . 1 . 2]" 2
570 1 30 SER QB 1 31 HIS HA . . 4.450 4.310 3.934 4.462 0.012 19 0 "[ . 1 . 2]" 2
571 1 31 HIS HA 1 31 HIS HD2 . . 4.750 4.621 4.492 4.718 . 0 0 "[ . 1 . 2]" 2
572 1 22 PHE QE 1 31 HIS HA . . 5.170 4.903 4.816 4.989 . 0 0 "[ . 1 . 2]" 2
573 1 31 HIS HA 1 31 HIS HB2 . . 2.880 2.298 2.289 2.315 . 0 0 "[ . 1 . 2]" 2
574 1 31 HIS HA 1 33 ARG HB2 . . 4.670 4.346 4.278 4.458 . 0 0 "[ . 1 . 2]" 2
575 1 31 HIS HA 1 34 VAL MG1 . . 3.960 2.893 2.799 2.989 . 0 0 "[ . 1 . 2]" 2
576 1 31 HIS HA 1 34 VAL MG2 . . 4.060 3.986 3.713 4.086 0.026 2 0 "[ . 1 . 2]" 2
577 1 17 GLU HA 1 18 CYS HA . . 4.860 4.549 4.547 4.552 . 0 0 "[ . 1 . 2]" 2
578 1 17 GLU HA 1 17 GLU HG3 . . 3.710 3.476 3.439 3.519 . 0 0 "[ . 1 . 2]" 2
579 1 14 LYS QE 1 16 GLU HA . . 3.740 3.726 3.292 3.776 0.036 2 0 "[ . 1 . 2]" 2
580 1 16 GLU HA 1 16 GLU HG2 . . 3.910 2.879 2.451 3.713 . 0 0 "[ . 1 . 2]" 2
581 1 16 GLU HA 1 16 GLU HG3 . . 3.910 3.242 2.738 3.808 . 0 0 "[ . 1 . 2]" 2
582 1 16 GLU HA 1 16 GLU HB3 . . 2.960 2.419 2.303 2.461 . 0 0 "[ . 1 . 2]" 2
583 1 14 LYS HG3 1 16 GLU HA . . 5.500 5.443 5.272 5.519 0.019 2 0 "[ . 1 . 2]" 2
584 1 14 LYS HG2 1 16 GLU HA . . 4.110 3.813 3.665 3.920 . 0 0 "[ . 1 . 2]" 2
585 1 20 LYS HA 1 21 ARG H . . 2.610 2.610 2.575 2.638 0.028 20 0 "[ . 1 . 2]" 2
586 1 33 ARG HA 1 36 THR HB . . 4.500 4.361 4.072 4.526 0.026 13 0 "[ . 1 . 2]" 2
587 1 15 CYS HB3 1 20 LYS HA . . 4.940 4.192 4.137 4.256 . 0 0 "[ . 1 . 2]" 2
588 1 33 ARG HA 1 33 ARG QD . . 4.420 4.115 3.774 4.323 . 0 0 "[ . 1 . 2]" 2
589 1 14 LYS QE 1 20 LYS HA . . 5.500 5.311 5.009 5.531 0.031 9 0 "[ . 1 . 2]" 2
590 1 15 CYS HB2 1 20 LYS HA . . 5.500 5.078 4.984 5.186 . 0 0 "[ . 1 . 2]" 2
591 1 33 ARG HA 1 33 ARG HB3 . . 3.010 2.352 2.336 2.370 . 0 0 "[ . 1 . 2]" 2
592 1 20 LYS HA 1 21 ARG HG3 . . 4.120 3.575 3.467 3.632 . 0 0 "[ . 1 . 2]" 2
593 1 33 ARG HA 1 33 ARG HG2 . . 3.330 2.676 2.635 2.721 . 0 0 "[ . 1 . 2]" 2
594 1 17 GLU HB3 1 18 CYS HA . . 5.050 4.760 4.713 4.791 . 0 0 "[ . 1 . 2]" 2
595 1 20 LYS HA 1 20 LYS HB2 . . 3.010 2.968 2.961 2.974 . 0 0 "[ . 1 . 2]" 2
596 1 17 GLU HB2 1 18 CYS HA . . 5.130 4.475 4.434 4.504 . 0 0 "[ . 1 . 2]" 2
597 1 20 LYS HA 1 20 LYS HG2 . . 3.400 2.176 2.142 2.217 . 0 0 "[ . 1 . 2]" 2
598 1 28 LEU HA 1 31 HIS H . . 3.860 3.321 3.253 3.354 . 0 0 "[ . 1 . 2]" 2
599 1 28 LEU HA 1 31 HIS HD2 . . 4.310 3.862 3.703 4.214 . 0 0 "[ . 1 . 2]" 2
600 1 22 PHE QE 1 28 LEU HA . . 3.670 2.864 2.792 2.988 . 0 0 "[ . 1 . 2]" 2
601 1 27 GLN H 1 28 LEU HA . . 5.470 5.308 5.209 5.393 . 0 0 "[ . 1 . 2]" 2
602 1 22 PHE HZ 1 28 LEU HA . . 4.890 3.351 3.242 3.502 . 0 0 "[ . 1 . 2]" 2
603 1 28 LEU HA 1 29 HIS HA . . 5.060 4.792 4.775 4.817 . 0 0 "[ . 1 . 2]" 2
604 1 28 LEU HA 1 31 HIS HA . . 5.500 5.425 5.354 5.465 . 0 0 "[ . 1 . 2]" 2
605 1 25 ASN HA 1 28 LEU HA . . 5.500 5.421 5.355 5.507 0.007 2 0 "[ . 1 . 2]" 2
606 1 14 LYS HB2 1 21 ARG QD . . 4.710 3.268 2.897 3.473 . 0 0 "[ . 1 . 2]" 2
607 1 28 LEU HA 1 31 HIS HB2 . . 4.300 4.106 3.985 4.198 . 0 0 "[ . 1 . 2]" 2
608 1 27 GLN HB2 1 28 LEU HA . . 4.900 4.313 4.254 4.393 . 0 0 "[ . 1 . 2]" 2
609 1 28 LEU HA 1 32 GLN HB2 . . 5.500 5.526 5.512 5.542 0.042 19 0 "[ . 1 . 2]" 2
610 1 28 LEU HA 1 28 LEU HG . . 3.690 3.344 3.306 3.416 . 0 0 "[ . 1 . 2]" 2
611 1 14 LYS HB2 1 15 CYS H . . 4.270 4.175 4.119 4.236 . 0 0 "[ . 1 . 2]" 2
612 1 27 GLN HA 1 29 HIS H . . 4.990 4.894 4.797 4.972 . 0 0 "[ . 1 . 2]" 2
613 1 27 GLN HA 1 30 SER H . . 3.960 3.610 3.553 3.670 . 0 0 "[ . 1 . 2]" 2
614 1 27 GLN HA 1 31 HIS H . . 4.510 4.461 4.323 4.519 0.009 12 0 "[ . 1 . 2]" 2
615 1 22 PHE QD 1 27 GLN HA . . 4.610 4.287 4.214 4.335 . 0 0 "[ . 1 . 2]" 2
616 1 14 LYS HB3 1 21 ARG HA . . 4.970 4.813 4.734 4.866 . 0 0 "[ . 1 . 2]" 2
617 1 14 LYS HB2 1 21 ARG HA . . 4.620 3.661 3.517 3.760 . 0 0 "[ . 1 . 2]" 2
618 1 13 PHE HA 1 14 LYS HB2 . . 5.110 4.551 4.471 4.609 . 0 0 "[ . 1 . 2]" 2
619 1 38 GLU HA 1 38 GLU HG2 . . 4.180 3.162 2.307 3.917 . 0 0 "[ . 1 . 2]" 2
620 1 27 GLN HA 1 30 SER QB . . 3.300 2.509 2.442 2.598 . 0 0 "[ . 1 . 2]" 2
621 1 22 PHE HB3 1 27 GLN HA . . 5.000 4.756 4.670 4.843 . 0 0 "[ . 1 . 2]" 2
622 1 14 LYS HB3 1 21 ARG QD . . 5.110 4.829 4.547 4.955 . 0 0 "[ . 1 . 2]" 2
623 1 27 GLN HA 1 28 LEU HA . . 4.810 4.791 4.781 4.800 . 0 0 "[ . 1 . 2]" 2
624 1 14 LYS HB2 1 14 LYS QE . . 4.420 4.066 3.918 4.227 . 0 0 "[ . 1 . 2]" 2
625 1 27 GLN HA 1 27 GLN HG2 . . 3.110 2.413 2.375 2.457 . 0 0 "[ . 1 . 2]" 2
626 1 14 LYS HB3 1 14 LYS HD3 . . 3.780 2.454 2.347 2.532 . 0 0 "[ . 1 . 2]" 2
627 1 14 LYS HB2 1 14 LYS HD3 . . 3.830 3.364 3.210 3.458 . 0 0 "[ . 1 . 2]" 2
628 1 14 LYS HB3 1 21 ARG HG2 . . 4.380 4.243 4.124 4.354 . 0 0 "[ . 1 . 2]" 2
629 1 14 LYS HB2 1 21 ARG HG2 . . 3.940 2.713 2.567 2.865 . 0 0 "[ . 1 . 2]" 2
630 1 17 GLU HA 1 17 GLU HG2 . . 3.810 2.517 2.499 2.545 . 0 0 "[ . 1 . 2]" 2
631 1 17 GLU HG2 1 35 HIS HB3 . . 4.860 4.566 4.507 4.655 . 0 0 "[ . 1 . 2]" 2
632 1 17 GLU HG3 1 35 HIS HB3 . . 5.040 5.046 5.021 5.057 0.017 18 0 "[ . 1 . 2]" 2
633 1 16 GLU HB2 1 17 GLU HG2 . . 4.130 4.096 4.029 4.146 0.016 16 0 "[ . 1 . 2]" 2
634 1 17 GLU HG3 1 35 HIS HD2 . . 5.120 3.663 3.443 3.913 . 0 0 "[ . 1 . 2]" 2
635 1 10 GLU HA 1 11 LYS HA . . 4.850 4.413 4.383 4.485 . 0 0 "[ . 1 . 2]" 2
636 1 10 GLU HA 1 11 LYS HB2 . . 4.780 4.378 4.119 4.697 . 0 0 "[ . 1 . 2]" 2
637 1 15 CYS HA 1 32 GLN QG . . 5.110 3.397 3.286 3.556 . 0 0 "[ . 1 . 2]" 2
638 1 15 CYS HB3 1 32 GLN QG . . 5.130 4.405 4.326 4.500 . 0 0 "[ . 1 . 2]" 2
639 1 38 GLU HA 1 39 LYS H . . 3.410 2.451 2.139 3.473 0.063 12 0 "[ . 1 . 2]" 2
640 1 31 HIS HD2 1 32 GLN QG . . 3.580 2.921 2.748 3.047 . 0 0 "[ . 1 . 2]" 2
641 1 38 GLU HA 1 39 LYS HA . . 4.980 4.437 4.326 4.785 . 0 0 "[ . 1 . 2]" 2
642 1 28 LEU HA 1 32 GLN QG . . 4.630 4.038 3.911 4.185 . 0 0 "[ . 1 . 2]" 2
643 1 38 GLU HA 1 38 GLU HG3 . . 4.180 2.904 2.281 3.897 . 0 0 "[ . 1 . 2]" 2
644 1 28 LEU HG 1 32 GLN QG . . 3.740 2.865 2.598 3.156 . 0 0 "[ . 1 . 2]" 2
645 1 28 LEU MD1 1 32 GLN QG . . 3.290 2.113 1.930 2.212 . 0 0 "[ . 1 . 2]" 2
646 1 13 PHE QE 1 25 ASN HA . . 4.480 3.345 3.170 3.497 . 0 0 "[ . 1 . 2]" 2
647 1 13 PHE QD 1 25 ASN HA . . 3.810 2.855 2.711 2.966 . 0 0 "[ . 1 . 2]" 2
648 1 13 PHE HB3 1 25 ASN HA . . 3.970 3.513 3.288 3.672 . 0 0 "[ . 1 . 2]" 2
649 1 13 PHE HB2 1 25 ASN HA . . 4.540 4.236 3.997 4.437 . 0 0 "[ . 1 . 2]" 2
650 1 25 ASN HA 1 25 ASN HB3 . . 3.020 2.489 2.281 2.641 . 0 0 "[ . 1 . 2]" 2
651 1 25 ASN HA 1 28 LEU HB3 . . 3.360 2.726 2.622 2.833 . 0 0 "[ . 1 . 2]" 2
652 1 22 PHE QD 1 27 GLN HG3 . . 4.900 4.660 4.626 4.701 . 0 0 "[ . 1 . 2]" 2
653 1 22 PHE QD 1 27 GLN HG2 . . 4.790 4.297 4.199 4.356 . 0 0 "[ . 1 . 2]" 2
654 1 27 GLN HG2 1 28 LEU H . . 4.910 4.820 4.789 4.873 . 0 0 "[ . 1 . 2]" 2
655 1 27 GLN HG3 1 28 LEU H . . 4.610 4.263 4.189 4.356 . 0 0 "[ . 1 . 2]" 2
656 1 27 GLN H 1 27 GLN HG2 . . 3.600 3.375 3.254 3.497 . 0 0 "[ . 1 . 2]" 2
657 1 27 GLN HA 1 27 GLN HG3 . . 3.360 3.182 3.118 3.229 . 0 0 "[ . 1 . 2]" 2
658 1 26 SER QB 1 27 GLN HG3 . . 4.960 3.523 3.446 3.630 . 0 0 "[ . 1 . 2]" 2
659 1 26 SER QB 1 27 GLN HG2 . . 4.950 4.201 4.048 4.470 . 0 0 "[ . 1 . 2]" 2
660 1 22 PHE HB3 1 27 GLN HG3 . . 4.680 3.908 3.853 4.014 . 0 0 "[ . 1 . 2]" 2
661 1 22 PHE HB3 1 27 GLN HG2 . . 4.760 4.444 4.300 4.565 . 0 0 "[ . 1 . 2]" 2
662 1 11 LYS HB3 1 13 PHE H . . 3.190 2.744 2.490 3.004 . 0 0 "[ . 1 . 2]" 2
663 1 14 LYS HA 1 21 ARG HB2 . . 4.960 4.744 4.674 4.807 . 0 0 "[ . 1 . 2]" 2
664 1 14 LYS HA 1 21 ARG HB3 . . 4.500 3.969 3.863 4.056 . 0 0 "[ . 1 . 2]" 2
665 1 20 LYS HA 1 21 ARG HB2 . . 5.050 4.504 4.457 4.575 . 0 0 "[ . 1 . 2]" 2
666 1 21 ARG HB2 1 21 ARG QD . . 3.480 2.811 2.554 3.151 . 0 0 "[ . 1 . 2]" 2
667 1 11 LYS QE 1 21 ARG HB2 . . 5.060 2.910 1.974 3.669 . 0 0 "[ . 1 . 2]" 2
668 1 14 LYS HG3 1 21 ARG HB2 . . 5.470 5.172 5.039 5.262 . 0 0 "[ . 1 . 2]" 2
669 1 15 CYS H 1 20 LYS HB2 . . 5.000 3.338 3.271 3.411 . 0 0 "[ . 1 . 2]" 2
670 1 19 GLY H 1 20 LYS HB2 . . 5.130 3.710 3.681 3.759 . 0 0 "[ . 1 . 2]" 2
671 1 11 LYS HB3 1 13 PHE QD . . 4.850 4.093 3.967 4.215 . 0 0 "[ . 1 . 2]" 2
672 1 21 ARG HB3 1 22 PHE QD . . 5.380 4.737 4.603 4.895 . 0 0 "[ . 1 . 2]" 2
673 1 20 LYS HB3 1 22 PHE QD . . 5.060 4.151 4.069 4.201 . 0 0 "[ . 1 . 2]" 2
674 1 20 LYS HB2 1 22 PHE HZ . . 4.230 3.238 3.109 3.332 . 0 0 "[ . 1 . 2]" 2
675 1 11 LYS HB2 1 12 PRO HD2 . . 4.760 4.399 4.311 4.492 . 0 0 "[ . 1 . 2]" 2
676 1 11 LYS HB2 1 21 ARG QD . . 4.120 2.357 2.019 2.562 . 0 0 "[ . 1 . 2]" 2
677 1 11 LYS HB2 1 11 LYS QE . . 4.560 3.125 2.264 4.123 . 0 0 "[ . 1 . 2]" 2
678 1 15 CYS HB2 1 20 LYS HB2 . . 4.020 2.544 2.418 2.667 . 0 0 "[ . 1 . 2]" 2
679 1 28 LEU HB3 1 29 HIS HD2 . . 4.910 3.523 2.237 4.820 . 0 0 "[ . 1 . 2]" 2
680 1 11 LYS HB2 1 21 ARG HB2 . . 3.660 3.363 3.266 3.447 . 0 0 "[ . 1 . 2]" 2
681 1 20 LYS HB3 1 21 ARG HB2 . . 5.070 4.902 4.863 4.961 . 0 0 "[ . 1 . 2]" 2
682 1 11 LYS HB2 1 21 ARG HB3 . . 3.020 1.992 1.947 2.035 . 0 0 "[ . 1 . 2]" 2
683 1 29 HIS H 1 29 HIS HD2 . . 4.580 2.943 1.899 3.797 . 0 0 "[ . 1 . 2]" 2
684 1 28 LEU HG 1 29 HIS HD2 . . 4.360 2.971 2.408 3.450 . 0 0 "[ . 1 . 2]" 2
685 1 28 LEU MD2 1 29 HIS HD2 . . 4.450 3.398 2.900 4.101 . 0 0 "[ . 1 . 2]" 2
686 1 24 GLN H 1 24 GLN QG . . 4.370 3.726 3.668 3.764 . 0 0 "[ . 1 . 2]" 2
687 1 13 PHE QE 1 24 GLN QG . . 4.950 4.097 3.534 4.498 . 0 0 "[ . 1 . 2]" 2
688 1 21 ARG HA 1 22 PHE QE . . 4.670 3.798 3.683 3.951 . 0 0 "[ . 1 . 2]" 2
689 1 31 HIS HE1 1 35 HIS HD2 . . 5.210 4.806 4.365 5.143 . 0 0 "[ . 1 . 2]" 2
690 1 18 CYS HA 1 35 HIS HE1 . . 4.180 3.709 3.294 4.107 . 0 0 "[ . 1 . 2]" 2
691 1 14 LYS HA 1 21 ARG HA . . 3.140 1.985 1.953 2.006 . 0 0 "[ . 1 . 2]" 2
692 1 20 LYS HA 1 21 ARG HA . . 4.750 4.549 4.532 4.565 . 0 0 "[ . 1 . 2]" 2
693 1 18 CYS HB3 1 35 HIS HE1 . . 2.960 2.070 2.007 2.192 . 0 0 "[ . 1 . 2]" 2
694 1 13 PHE HB2 1 21 ARG HA . . 4.680 4.363 4.276 4.469 . 0 0 "[ . 1 . 2]" 2
695 1 31 HIS HE1 1 34 VAL HB . . 5.190 5.038 4.888 5.193 0.003 12 0 "[ . 1 . 2]" 2
696 1 11 LYS HB2 1 21 ARG HA . . 4.540 4.213 4.122 4.279 . 0 0 "[ . 1 . 2]" 2
697 1 21 ARG HA 1 21 ARG HG2 . . 3.450 2.423 2.391 2.482 . 0 0 "[ . 1 . 2]" 2
698 1 20 LYS HB3 1 31 HIS HE1 . . 5.490 5.173 4.999 5.343 . 0 0 "[ . 1 . 2]" 2
699 1 14 LYS HG3 1 21 ARG HA . . 4.480 3.818 3.712 3.922 . 0 0 "[ . 1 . 2]" 2
700 1 14 LYS HG2 1 21 ARG HA . . 4.940 4.559 4.478 4.619 . 0 0 "[ . 1 . 2]" 2
701 1 21 ARG HA 1 28 LEU MD1 . . 5.200 4.022 3.877 4.269 . 0 0 "[ . 1 . 2]" 2
702 1 31 HIS HE1 1 34 VAL MG1 . . 3.840 3.674 3.549 3.841 0.001 10 0 "[ . 1 . 2]" 2
703 1 31 HIS HE1 1 34 VAL MG2 . . 3.270 2.708 2.506 2.848 . 0 0 "[ . 1 . 2]" 2
704 1 18 CYS HB3 1 19 GLY H . . 4.590 3.939 3.876 3.985 . 0 0 "[ . 1 . 2]" 2
705 1 17 GLU HB3 1 18 CYS HB3 . . 4.910 4.345 4.316 4.387 . 0 0 "[ . 1 . 2]" 2
706 1 18 CYS HB3 1 20 LYS HG3 . . 5.390 4.745 4.687 4.768 . 0 0 "[ . 1 . 2]" 2
707 1 18 CYS HB2 1 19 GLY H . . 4.560 3.722 3.680 3.771 . 0 0 "[ . 1 . 2]" 2
708 1 18 CYS HB2 1 35 HIS HE1 . . 3.770 3.684 3.603 3.775 0.005 2 0 "[ . 1 . 2]" 2
709 1 18 CYS HA 1 18 CYS HB2 . . 2.860 2.466 2.429 2.497 . 0 0 "[ . 1 . 2]" 2
710 1 18 CYS HA 1 18 CYS HB3 . . 2.950 2.441 2.412 2.478 . 0 0 "[ . 1 . 2]" 2
711 1 39 LYS HB2 1 40 PRO HD2 . . 4.960 3.040 2.072 3.981 . 0 0 "[ . 1 . 2]" 2
712 1 39 LYS HB3 1 40 PRO HD2 . . 4.960 3.025 2.015 3.741 . 0 0 "[ . 1 . 2]" 2
713 1 39 LYS HB3 1 40 PRO HD3 . . 4.960 4.165 3.459 4.736 . 0 0 "[ . 1 . 2]" 2
714 1 18 CYS HB2 1 20 LYS HG3 . . 4.530 4.247 4.063 4.396 . 0 0 "[ . 1 . 2]" 2
715 1 17 GLU HB2 1 18 CYS HB2 . . 5.490 5.218 5.184 5.244 . 0 0 "[ . 1 . 2]" 2
716 1 12 PRO HB3 1 13 PHE QE . . 5.050 4.965 4.766 5.075 0.025 15 0 "[ . 1 . 2]" 2
717 1 12 PRO HB2 1 13 PHE HZ . . 5.330 4.805 4.549 4.960 . 0 0 "[ . 1 . 2]" 2
718 1 12 PRO HB3 1 13 PHE QD . . 5.140 4.929 4.799 5.020 . 0 0 "[ . 1 . 2]" 2
719 1 12 PRO HB2 1 13 PHE QD . . 4.500 3.951 3.768 4.080 . 0 0 "[ . 1 . 2]" 2
720 1 11 LYS HA 1 12 PRO HB2 . . 5.500 5.449 5.441 5.463 . 0 0 "[ . 1 . 2]" 2
721 1 34 VAL H 1 34 VAL HB . . 3.740 3.605 3.598 3.611 . 0 0 "[ . 1 . 2]" 2
722 1 34 VAL HB 1 35 HIS H . . 4.210 4.015 3.944 4.092 . 0 0 "[ . 1 . 2]" 2
723 1 10 GLU HB2 1 11 LYS H . . 5.170 3.898 2.877 4.610 . 0 0 "[ . 1 . 2]" 2
724 1 10 GLU HB3 1 11 LYS H . . 5.170 3.557 2.606 4.308 . 0 0 "[ . 1 . 2]" 2
725 1 28 LEU HG 1 29 HIS QB . . 4.890 4.644 4.471 4.784 . 0 0 "[ . 1 . 2]" 2
726 1 33 ARG HB3 1 34 VAL H . . 4.330 4.032 3.993 4.087 . 0 0 "[ . 1 . 2]" 2
727 1 33 ARG H 1 33 ARG HB2 . . 3.470 2.801 2.747 2.845 . 0 0 "[ . 1 . 2]" 2
728 1 33 ARG H 1 33 ARG HB3 . . 3.690 3.555 3.543 3.568 . 0 0 "[ . 1 . 2]" 2
729 1 33 ARG HB2 1 34 VAL HA . . 4.950 4.043 4.011 4.084 . 0 0 "[ . 1 . 2]" 2
730 1 33 ARG HB3 1 34 VAL HA . . 5.060 4.826 4.781 4.885 . 0 0 "[ . 1 . 2]" 2
731 1 29 HIS QB 1 30 SER QB . . 4.180 4.053 3.973 4.280 0.100 18 0 "[ . 1 . 2]" 2
732 1 33 ARG HB2 1 33 ARG QD . . 3.580 2.643 2.426 2.986 . 0 0 "[ . 1 . 2]" 2
733 1 33 ARG HB3 1 33 ARG QD . . 3.610 2.510 2.145 2.895 . 0 0 "[ . 1 . 2]" 2
734 1 25 ASN HB2 1 29 HIS QB . . 5.180 4.188 3.854 4.717 . 0 0 "[ . 1 . 2]" 2
735 1 29 HIS QB 1 32 GLN HB2 . . 5.500 4.547 4.446 4.665 . 0 0 "[ . 1 . 2]" 2
736 1 28 LEU HB3 1 29 HIS QB . . 4.560 4.365 4.230 4.560 0.000 3 0 "[ . 1 . 2]" 2
737 1 28 LEU MD2 1 29 HIS QB . . 5.500 5.165 5.037 5.284 . 0 0 "[ . 1 . 2]" 2
738 1 33 ARG HB2 1 34 VAL MG1 . . 5.130 3.247 3.207 3.294 . 0 0 "[ . 1 . 2]" 2
739 1 11 LYS QD 1 22 PHE H . . 4.960 2.655 2.494 2.925 . 0 0 "[ . 1 . 2]" 2
740 1 11 LYS HA 1 11 LYS QD . . 4.070 4.034 3.884 4.092 0.022 20 0 "[ . 1 . 2]" 2
741 1 11 LYS QD 1 21 ARG QD . . 4.940 3.360 2.501 4.001 . 0 0 "[ . 1 . 2]" 2
742 1 17 GLU HB3 1 35 HIS HB2 . . 5.340 3.578 3.429 3.696 . 0 0 "[ . 1 . 2]" 2
743 1 11 LYS QD 1 21 ARG HA . . 5.100 3.578 3.488 3.667 . 0 0 "[ . 1 . 2]" 2
744 1 14 LYS HA 1 14 LYS HD2 . . 5.070 4.558 4.484 4.608 . 0 0 "[ . 1 . 2]" 2
745 1 14 LYS HD3 1 19 GLY HA3 . . 5.500 5.508 5.399 5.539 0.039 20 0 "[ . 1 . 2]" 2
746 1 14 LYS HD3 1 16 GLU HA . . 5.150 4.098 3.868 4.328 . 0 0 "[ . 1 . 2]" 2
747 1 14 LYS HD2 1 19 GLY HA2 . . 4.770 4.725 4.549 4.775 0.005 19 0 "[ . 1 . 2]" 2
748 1 14 LYS HD3 1 21 ARG QD . . 5.500 5.489 5.394 5.520 0.020 17 0 "[ . 1 . 2]" 2
749 1 14 LYS HD2 1 21 ARG QD . . 5.130 4.083 3.955 4.165 . 0 0 "[ . 1 . 2]" 2
750 1 16 GLU HB3 1 17 GLU H . . 4.310 4.040 3.969 4.231 . 0 0 "[ . 1 . 2]" 2
751 1 15 CYS HB2 1 19 GLY H . . 4.510 4.256 4.222 4.306 . 0 0 "[ . 1 . 2]" 2
752 1 15 CYS HB2 1 20 LYS H . . 3.630 3.521 3.472 3.601 . 0 0 "[ . 1 . 2]" 2
753 1 20 LYS HD2 1 21 ARG H . . 5.310 4.875 4.448 5.145 . 0 0 "[ . 1 . 2]" 2
754 1 11 LYS QD 1 21 ARG H . . 5.040 4.076 3.930 4.178 . 0 0 "[ . 1 . 2]" 2
755 1 20 LYS HD3 1 21 ARG H . . 5.310 3.802 3.231 4.402 . 0 0 "[ . 1 . 2]" 2
756 1 15 CYS HB3 1 22 PHE QD . . 5.480 5.340 5.268 5.413 . 0 0 "[ . 1 . 2]" 2
757 1 15 CYS HB2 1 22 PHE QD . . 4.290 4.111 4.063 4.192 . 0 0 "[ . 1 . 2]" 2
758 1 15 CYS HB3 1 31 HIS HD2 . . 3.640 3.576 3.433 3.645 0.005 1 0 "[ . 1 . 2]" 2
759 1 15 CYS HB3 1 22 PHE QE . . 3.810 3.347 3.288 3.401 . 0 0 "[ . 1 . 2]" 2
760 1 15 CYS HB2 1 22 PHE QE . . 3.400 2.005 1.982 2.046 . 0 0 "[ . 1 . 2]" 2
761 1 15 CYS HB2 1 22 PHE HZ . . 4.720 3.502 3.307 3.639 . 0 0 "[ . 1 . 2]" 2
762 1 15 CYS HB3 1 21 ARG HA . . 5.500 5.321 5.219 5.398 . 0 0 "[ . 1 . 2]" 2
763 1 15 CYS HB2 1 21 ARG HA . . 5.400 4.940 4.870 5.087 . 0 0 "[ . 1 . 2]" 2
764 1 14 LYS HA 1 15 CYS HB3 . . 4.760 4.717 4.678 4.752 . 0 0 "[ . 1 . 2]" 2
765 1 14 LYS HA 1 15 CYS HB2 . . 4.580 4.452 4.427 4.485 . 0 0 "[ . 1 . 2]" 2
766 1 15 CYS HA 1 16 GLU HB2 . . 4.980 4.687 4.591 4.954 . 0 0 "[ . 1 . 2]" 2
767 1 15 CYS HB3 1 19 GLY HA3 . . 5.110 4.954 4.919 4.991 . 0 0 "[ . 1 . 2]" 2
768 1 15 CYS HB3 1 19 GLY HA2 . . 4.560 4.093 4.018 4.166 . 0 0 "[ . 1 . 2]" 2
769 1 15 CYS HB3 1 20 LYS HB2 . . 4.060 2.028 1.989 2.127 . 0 0 "[ . 1 . 2]" 2
770 1 15 CYS HB2 1 20 LYS HB3 . . 4.450 3.468 3.349 3.623 . 0 0 "[ . 1 . 2]" 2
771 1 15 CYS HB3 1 20 LYS HB3 . . 4.350 3.531 3.473 3.619 . 0 0 "[ . 1 . 2]" 2
772 1 15 CYS HB3 1 28 LEU MD1 . . 3.560 3.183 3.154 3.302 . 0 0 "[ . 1 . 2]" 2
773 1 17 GLU H 1 17 GLU HB3 . . 3.640 3.583 3.578 3.585 . 0 0 "[ . 1 . 2]" 2
774 1 17 GLU HB3 1 19 GLY H . . 5.500 5.530 5.517 5.567 0.067 15 0 "[ . 1 . 2]" 2
775 1 17 GLU HB3 1 18 CYS H . . 3.620 3.549 3.500 3.590 . 0 0 "[ . 1 . 2]" 2
776 1 20 LYS HD2 1 22 PHE QE . . 4.840 4.210 3.523 4.709 . 0 0 "[ . 1 . 2]" 2
777 1 20 LYS HA 1 20 LYS HD2 . . 4.790 4.621 4.513 4.670 . 0 0 "[ . 1 . 2]" 2
778 1 20 LYS HA 1 20 LYS HD3 . . 4.790 4.189 3.900 4.456 . 0 0 "[ . 1 . 2]" 2
779 1 15 CYS HB3 1 20 LYS HD2 . . 5.500 5.112 4.516 5.503 0.003 11 0 "[ . 1 . 2]" 2
780 1 15 CYS HB3 1 20 LYS HD3 . . 5.500 4.811 4.327 5.472 . 0 0 "[ . 1 . 2]" 2
781 1 17 GLU HB2 1 35 HIS HB3 . . 5.050 4.532 4.395 4.626 . 0 0 "[ . 1 . 2]" 2
782 1 17 GLU HB2 1 18 CYS HB3 . . 4.820 3.825 3.710 3.916 . 0 0 "[ . 1 . 2]" 2
783 1 12 PRO HD3 1 13 PHE H . . 3.980 3.882 3.851 3.912 . 0 0 "[ . 1 . 2]" 2
784 1 12 PRO HD2 1 13 PHE QE . . 4.510 4.030 3.829 4.295 . 0 0 "[ . 1 . 2]" 2
785 1 12 PRO HD3 1 13 PHE QE . . 5.390 4.941 4.818 5.086 . 0 0 "[ . 1 . 2]" 2
786 1 12 PRO HD3 1 13 PHE QD . . 4.750 4.387 4.325 4.467 . 0 0 "[ . 1 . 2]" 2
787 1 39 LYS HA 1 40 PRO HD2 . . 3.090 2.287 2.147 2.503 . 0 0 "[ . 1 . 2]" 2
788 1 39 LYS HA 1 40 PRO HD3 . . 3.090 2.273 2.254 2.346 . 0 0 "[ . 1 . 2]" 2
789 1 11 LYS HA 1 12 PRO HD3 . . 2.900 2.316 2.275 2.369 . 0 0 "[ . 1 . 2]" 2
790 1 11 LYS HA 1 12 PRO HD2 . . 2.900 1.995 1.945 2.057 . 0 0 "[ . 1 . 2]" 2
791 1 39 LYS HB2 1 40 PRO HD3 . . 4.960 4.236 3.509 4.912 . 0 0 "[ . 1 . 2]" 2
792 1 11 LYS HB3 1 12 PRO HD2 . . 3.910 3.192 3.043 3.344 . 0 0 "[ . 1 . 2]" 2
793 1 11 LYS HB3 1 12 PRO HD3 . . 4.730 4.388 4.277 4.499 . 0 0 "[ . 1 . 2]" 2
794 1 24 GLN H 1 27 GLN HB3 . . 4.480 4.426 4.281 4.514 0.034 14 0 "[ . 1 . 2]" 2
795 1 22 PHE QE 1 27 GLN HB3 . . 4.300 3.665 3.611 3.733 . 0 0 "[ . 1 . 2]" 2
796 1 27 GLN HB3 1 28 LEU H . . 4.510 3.317 3.225 3.391 . 0 0 "[ . 1 . 2]" 2
797 1 35 HIS HB3 1 35 HIS HD2 . . 3.890 3.835 3.775 3.886 . 0 0 "[ . 1 . 2]" 2
798 1 27 GLN HB2 1 28 LEU HB3 . . 4.590 4.592 4.530 4.633 0.043 19 0 "[ . 1 . 2]" 2
799 1 17 GLU HG2 1 35 HIS HB2 . . 4.890 4.373 4.324 4.450 . 0 0 "[ . 1 . 2]" 2
800 1 31 HIS H 1 31 HIS HB2 . . 3.240 3.118 2.989 3.163 . 0 0 "[ . 1 . 2]" 2
801 1 22 PHE QD 1 31 HIS HB3 . . 4.750 4.445 4.387 4.485 . 0 0 "[ . 1 . 2]" 2
802 1 22 PHE QD 1 31 HIS HB2 . . 4.720 4.703 4.622 4.746 0.026 9 0 "[ . 1 . 2]" 2
803 1 22 PHE QE 1 31 HIS HB2 . . 3.850 2.754 2.649 2.852 . 0 0 "[ . 1 . 2]" 2
804 1 22 PHE QE 1 31 HIS HB3 . . 4.150 3.072 2.904 3.170 . 0 0 "[ . 1 . 2]" 2
805 1 30 SER QB 1 31 HIS HB3 . . 5.020 4.525 4.444 4.636 . 0 0 "[ . 1 . 2]" 2
806 1 30 SER QB 1 31 HIS HB2 . . 5.080 4.592 4.427 4.720 . 0 0 "[ . 1 . 2]" 2
807 1 27 GLN HB3 1 28 LEU HA . . 5.150 4.247 4.166 4.312 . 0 0 "[ . 1 . 2]" 2
808 1 27 GLN HB3 1 31 HIS HB3 . . 5.500 5.087 4.995 5.324 . 0 0 "[ . 1 . 2]" 2
809 1 31 HIS HB3 1 32 GLN QG . . 4.440 4.102 4.035 4.186 . 0 0 "[ . 1 . 2]" 2
810 1 31 HIS HB2 1 32 GLN QG . . 5.500 5.542 5.516 5.598 0.098 13 0 "[ . 1 . 2]" 2
811 1 28 LEU MD1 1 31 HIS HB3 . . 4.050 3.179 3.050 3.278 . 0 0 "[ . 1 . 2]" 2
812 1 28 LEU MD1 1 31 HIS HB2 . . 4.960 4.652 4.538 4.756 . 0 0 "[ . 1 . 2]" 2
813 1 21 ARG HG3 1 22 PHE H . . 5.430 5.073 4.990 5.136 . 0 0 "[ . 1 . 2]" 2
814 1 21 ARG H 1 21 ARG HG2 . . 3.990 3.886 3.810 3.967 . 0 0 "[ . 1 . 2]" 2
815 1 21 ARG HA 1 21 ARG HG3 . . 3.740 3.377 3.320 3.439 . 0 0 "[ . 1 . 2]" 2
816 1 14 LYS HA 1 21 ARG HG3 . . 4.530 4.251 4.126 4.372 . 0 0 "[ . 1 . 2]" 2
817 1 14 LYS HA 1 21 ARG HG2 . . 3.780 2.749 2.626 2.891 . 0 0 "[ . 1 . 2]" 2
818 1 42 GLY HA2 1 43 PRO QD . . 3.580 2.413 1.855 3.454 . 0 0 "[ . 1 . 2]" 2
819 1 42 GLY HA3 1 43 PRO QD . . 3.580 2.541 1.859 3.460 . 0 0 "[ . 1 . 2]" 2
820 1 20 LYS HA 1 21 ARG HG2 . . 4.840 4.387 4.265 4.534 . 0 0 "[ . 1 . 2]" 2
821 1 11 LYS QE 1 21 ARG HG3 . . 5.500 4.713 3.671 5.514 0.014 17 0 "[ . 1 . 2]" 2
822 1 14 LYS QE 1 21 ARG HG3 . . 5.500 4.738 4.236 5.256 . 0 0 "[ . 1 . 2]" 2
823 1 11 LYS HB2 1 21 ARG HG2 . . 4.130 4.103 3.952 4.213 0.083 17 0 "[ . 1 . 2]" 2
824 1 14 LYS HG2 1 21 ARG HG3 . . 5.110 5.003 4.884 5.114 0.004 2 0 "[ . 1 . 2]" 2
825 1 32 GLN H 1 32 GLN HB3 . . 3.690 3.569 3.558 3.578 . 0 0 "[ . 1 . 2]" 2
826 1 32 GLN HB3 1 33 ARG H . . 4.250 3.769 3.700 3.856 . 0 0 "[ . 1 . 2]" 2
827 1 31 HIS HD2 1 32 GLN HB3 . . 5.500 5.150 4.981 5.337 . 0 0 "[ . 1 . 2]" 2
828 1 32 GLN HB2 1 35 HIS HD2 . . 5.500 5.166 5.029 5.328 . 0 0 "[ . 1 . 2]" 2
829 1 29 HIS HA 1 32 GLN HB3 . . 4.550 4.293 4.172 4.391 . 0 0 "[ . 1 . 2]" 2
830 1 32 GLN HB2 1 33 ARG HA . . 4.940 4.565 4.521 4.633 . 0 0 "[ . 1 . 2]" 2
831 1 32 GLN HB3 1 33 ARG HA . . 4.910 4.330 4.287 4.377 . 0 0 "[ . 1 . 2]" 2
832 1 31 HIS HB3 1 32 GLN HB2 . . 5.210 5.102 5.034 5.163 . 0 0 "[ . 1 . 2]" 2
833 1 32 GLN HB3 1 35 HIS HB2 . . 4.920 4.030 3.945 4.118 . 0 0 "[ . 1 . 2]" 2
834 1 25 ASN HA 1 28 LEU HG . . 5.030 4.870 4.695 4.973 . 0 0 "[ . 1 . 2]" 2
835 1 28 LEU HG 1 32 GLN HB2 . . 4.940 4.390 4.269 4.504 . 0 0 "[ . 1 . 2]" 2
836 1 22 PHE QE 1 28 LEU HG . . 4.840 4.411 4.338 4.644 . 0 0 "[ . 1 . 2]" 2
837 1 30 SER QB 1 33 ARG HG2 . . 5.500 5.474 5.410 5.526 0.026 17 0 "[ . 1 . 2]" 2
838 1 33 ARG HG3 1 34 VAL H . . 4.910 3.928 3.864 3.992 . 0 0 "[ . 1 . 2]" 2
839 1 33 ARG HG2 1 34 VAL H . . 4.900 4.689 4.551 4.830 . 0 0 "[ . 1 . 2]" 2
840 1 39 LYS HA 1 40 PRO HG2 . . 5.500 4.421 4.310 4.597 . 0 0 "[ . 1 . 2]" 2
841 1 39 LYS HA 1 40 PRO HG3 . . 5.500 4.413 4.348 4.538 . 0 0 "[ . 1 . 2]" 2
842 1 30 SER HA 1 33 ARG HG3 . . 3.630 2.601 2.505 2.693 . 0 0 "[ . 1 . 2]" 2
843 1 30 SER QB 1 33 ARG HG3 . . 5.140 4.376 4.111 4.479 . 0 0 "[ . 1 . 2]" 2
844 1 23 THR HB 1 24 GLN H . . 4.420 4.209 4.140 4.276 . 0 0 "[ . 1 . 2]" 2
845 1 12 PRO HD2 1 23 THR HB . . 4.690 4.667 4.489 4.701 0.011 17 0 "[ . 1 . 2]" 2
846 1 12 PRO HG3 1 13 PHE H . . 4.390 4.172 4.026 4.288 . 0 0 "[ . 1 . 2]" 2
847 1 12 PRO HG3 1 13 PHE QE . . 4.490 3.307 3.249 3.401 . 0 0 "[ . 1 . 2]" 2
848 1 12 PRO HG2 1 13 PHE QE . . 4.490 2.438 2.363 2.573 . 0 0 "[ . 1 . 2]" 2
849 1 12 PRO HG3 1 13 PHE QD . . 4.450 3.782 3.681 3.882 . 0 0 "[ . 1 . 2]" 2
850 1 12 PRO HG3 1 23 THR HA . . 4.980 4.414 4.178 4.626 . 0 0 "[ . 1 . 2]" 2
851 1 20 LYS H 1 20 LYS HG3 . . 3.910 3.046 2.958 3.116 . 0 0 "[ . 1 . 2]" 2
852 1 20 LYS HG3 1 21 ARG H . . 4.590 4.476 4.448 4.502 . 0 0 "[ . 1 . 2]" 2
853 1 20 LYS HG3 1 22 PHE HZ . . 4.880 4.382 4.251 4.502 . 0 0 "[ . 1 . 2]" 2
854 1 20 LYS HG2 1 22 PHE HZ . . 4.900 4.679 4.545 4.829 . 0 0 "[ . 1 . 2]" 2
855 1 20 LYS HA 1 20 LYS HG3 . . 3.970 3.073 3.007 3.126 . 0 0 "[ . 1 . 2]" 2
856 1 20 LYS HB3 1 20 LYS HG2 . . 3.000 2.625 2.583 2.657 . 0 0 "[ . 1 . 2]" 2
857 1 15 CYS H 1 28 LEU MD2 . . 5.020 3.621 3.460 3.781 . 0 0 "[ . 1 . 2]" 2
858 1 28 LEU MD2 1 29 HIS H . . 4.510 3.983 3.876 4.050 . 0 0 "[ . 1 . 2]" 2
859 1 28 LEU MD2 1 32 GLN HE21 . . 4.530 2.625 2.257 2.907 . 0 0 "[ . 1 . 2]" 2
860 1 13 PHE QE 1 28 LEU MD2 . . 4.930 4.688 4.521 4.877 . 0 0 "[ . 1 . 2]" 2
861 1 13 PHE QD 1 28 LEU MD2 . . 3.520 2.796 2.606 3.002 . 0 0 "[ . 1 . 2]" 2
862 1 22 PHE QE 1 28 LEU MD2 . . 4.310 3.788 3.718 4.004 . 0 0 "[ . 1 . 2]" 2
863 1 28 LEU H 1 28 LEU MD2 . . 4.770 4.213 4.165 4.236 . 0 0 "[ . 1 . 2]" 2
864 1 14 LYS HA 1 28 LEU MD2 . . 4.990 3.498 3.327 3.653 . 0 0 "[ . 1 . 2]" 2
865 1 28 LEU MD2 1 29 HIS HA . . 5.030 4.657 4.555 4.752 . 0 0 "[ . 1 . 2]" 2
866 1 25 ASN HA 1 28 LEU MD2 . . 4.010 3.648 3.519 3.809 . 0 0 "[ . 1 . 2]" 2
867 1 13 PHE HB3 1 28 LEU MD2 . . 3.050 2.002 1.939 2.080 . 0 0 "[ . 1 . 2]" 2
868 1 22 PHE HB2 1 28 LEU MD2 . . 4.640 4.138 4.066 4.212 . 0 0 "[ . 1 . 2]" 2
869 1 25 ASN HB2 1 28 LEU MD2 . . 5.050 4.711 4.389 4.972 . 0 0 "[ . 1 . 2]" 2
870 1 28 LEU HB3 1 28 LEU MD2 . . 3.120 2.350 2.253 2.456 . 0 0 "[ . 1 . 2]" 2
871 1 9 GLY QA 1 10 GLU HA . . 4.510 4.005 3.938 4.179 . 0 0 "[ . 1 . 2]" 2
872 1 10 GLU H 1 10 GLU QB . . 3.590 2.562 2.125 3.230 . 0 0 "[ . 1 . 2]" 2
873 1 10 GLU H 1 10 GLU QG . . 4.660 2.997 2.021 4.285 . 0 0 "[ . 1 . 2]" 2
874 1 10 GLU HA 1 10 GLU QG . . 3.610 2.694 2.173 3.411 . 0 0 "[ . 1 . 2]" 2
875 1 10 GLU HA 1 11 LYS QG . . 4.470 4.032 3.643 4.341 . 0 0 "[ . 1 . 2]" 2
876 1 10 GLU QB 1 12 PRO HD3 . . 4.590 4.448 4.004 4.607 0.017 6 0 "[ . 1 . 2]" 2
877 1 11 LYS HA 1 11 LYS QG . . 3.230 2.375 2.290 2.444 . 0 0 "[ . 1 . 2]" 2
878 1 11 LYS HA 1 12 PRO QG . . 4.250 3.787 3.770 3.813 . 0 0 "[ . 1 . 2]" 2
879 1 11 LYS QE 1 11 LYS QG . . 3.090 2.221 2.019 2.506 . 0 0 "[ . 1 . 2]" 2
880 1 11 LYS QG 1 12 PRO HD2 . . 4.520 3.359 2.960 3.732 . 0 0 "[ . 1 . 2]" 2
881 1 11 LYS QG 1 13 PHE H . . 5.190 4.316 3.902 4.734 . 0 0 "[ . 1 . 2]" 2
882 1 11 LYS QG 1 21 ARG HB2 . . 4.330 4.196 3.906 4.341 0.011 20 0 "[ . 1 . 2]" 2
883 1 11 LYS QG 1 23 THR HA . . 4.520 2.672 2.347 3.232 . 0 0 "[ . 1 . 2]" 2
884 1 12 PRO QG 1 13 PHE H . . 3.630 2.723 2.538 2.869 . 0 0 "[ . 1 . 2]" 2
885 1 12 PRO QG 1 13 PHE QD . . 3.730 2.154 2.014 2.271 . 0 0 "[ . 1 . 2]" 2
886 1 12 PRO QG 1 13 PHE QE . . 3.690 2.378 2.309 2.499 . 0 0 "[ . 1 . 2]" 2
887 1 12 PRO QG 1 13 PHE HZ . . 5.170 3.996 3.875 4.147 . 0 0 "[ . 1 . 2]" 2
888 1 12 PRO QG 1 23 THR HA . . 4.130 3.621 3.395 3.807 . 0 0 "[ . 1 . 2]" 2
889 1 15 CYS HA 1 16 GLU QG . . 5.040 3.868 3.695 3.976 . 0 0 "[ . 1 . 2]" 2
890 1 16 GLU H 1 16 GLU QG . . 3.550 2.111 2.035 2.232 . 0 0 "[ . 1 . 2]" 2
891 1 16 GLU HA 1 16 GLU QG . . 3.290 2.589 2.389 3.028 . 0 0 "[ . 1 . 2]" 2
892 1 16 GLU QG 1 17 GLU H . . 4.170 4.106 4.062 4.180 0.010 11 0 "[ . 1 . 2]" 2
893 1 16 GLU QG 1 28 LEU MD1 . . 4.980 4.843 4.733 4.930 . 0 0 "[ . 1 . 2]" 2
894 1 20 LYS HA 1 20 LYS QD . . 4.180 3.884 3.682 4.044 . 0 0 "[ . 1 . 2]" 2
895 1 20 LYS HB3 1 20 LYS QD . . 3.280 2.260 2.045 2.492 . 0 0 "[ . 1 . 2]" 2
896 1 20 LYS HB3 1 20 LYS QE . . 4.850 3.083 2.133 4.046 . 0 0 "[ . 1 . 2]" 2
897 1 20 LYS QD 1 21 ARG H . . 4.540 3.662 3.172 4.160 . 0 0 "[ . 1 . 2]" 2
898 1 20 LYS QD 1 22 PHE QE . . 4.150 3.202 3.030 3.387 . 0 0 "[ . 1 . 2]" 2
899 1 20 LYS QD 1 22 PHE HZ . . 3.350 2.249 2.066 2.474 . 0 0 "[ . 1 . 2]" 2
900 1 20 LYS QD 1 31 HIS HD2 . . 4.540 3.633 3.371 3.922 . 0 0 "[ . 1 . 2]" 2
901 1 20 LYS QD 1 31 HIS HE1 . . 3.340 2.432 2.201 2.730 . 0 0 "[ . 1 . 2]" 2
902 1 20 LYS QE 1 22 PHE QE . . 4.550 3.682 2.653 4.564 0.014 9 0 "[ . 1 . 2]" 2
903 1 20 LYS QE 1 31 HIS HE1 . . 4.480 3.794 2.328 4.483 0.003 1 0 "[ . 1 . 2]" 2
904 1 22 PHE HB3 1 24 GLN QB . . 5.340 4.367 4.284 4.433 . 0 0 "[ . 1 . 2]" 2
905 1 23 THR MG 1 24 GLN QB . . 4.550 2.636 2.499 2.757 . 0 0 "[ . 1 . 2]" 2
906 1 24 GLN QB 1 26 SER QB . . 4.290 3.030 2.841 3.240 . 0 0 "[ . 1 . 2]" 2
907 1 24 GLN QB 1 27 GLN H . . 3.040 2.895 2.829 2.964 . 0 0 "[ . 1 . 2]" 2
908 1 24 GLN QB 1 27 GLN HA . . 5.340 4.972 4.865 5.082 . 0 0 "[ . 1 . 2]" 2
909 1 24 GLN QB 1 27 GLN HB2 . . 4.230 3.495 3.359 3.588 . 0 0 "[ . 1 . 2]" 2
910 1 24 GLN QB 1 27 GLN HB3 . . 5.260 4.716 4.604 4.829 . 0 0 "[ . 1 . 2]" 2
911 1 24 GLN QB 1 27 GLN HG3 . . 3.990 2.468 2.326 2.671 . 0 0 "[ . 1 . 2]" 2
912 1 24 GLN QB 1 27 GLN HE21 . . 4.720 2.938 2.762 3.177 . 0 0 "[ . 1 . 2]" 2
913 1 24 GLN QB 1 27 GLN HE22 . . 5.220 3.891 3.766 4.133 . 0 0 "[ . 1 . 2]" 2
914 1 24 GLN QB 1 28 LEU H . . 4.780 4.616 4.552 4.717 . 0 0 "[ . 1 . 2]" 2
915 1 24 GLN QG 1 25 ASN QD . . 4.390 4.370 4.243 4.437 0.047 14 0 "[ . 1 . 2]" 2
916 1 24 GLN HE22 1 25 ASN QD . . 4.720 2.222 1.920 3.182 . 0 0 "[ . 1 . 2]" 2
917 1 38 GLU H 1 38 GLU QB . . 3.320 2.519 2.265 2.936 . 0 0 "[ . 1 . 2]" 2
918 1 38 GLU H 1 38 GLU QG . . 4.710 3.590 1.950 4.287 . 0 0 "[ . 1 . 2]" 2
919 1 38 GLU HA 1 38 GLU QG . . 3.500 2.604 2.234 3.340 . 0 0 "[ . 1 . 2]" 2
920 1 38 GLU HA 1 39 LYS QB . . 5.240 4.490 4.020 5.228 . 0 0 "[ . 1 . 2]" 2
921 1 38 GLU QB 1 39 LYS H . . 3.920 3.455 2.167 3.988 0.068 7 0 "[ . 1 . 2]" 2
922 1 39 LYS H 1 39 LYS QB . . 3.240 2.669 2.147 3.161 . 0 0 "[ . 1 . 2]" 2
923 1 39 LYS HA 1 40 PRO QD . . 2.690 2.030 1.957 2.152 . 0 0 "[ . 1 . 2]" 2
924 1 39 LYS QB 1 40 PRO QD . . 3.370 2.321 1.990 3.284 . 0 0 "[ . 1 . 2]" 2
925 1 39 LYS QG 1 40 PRO QD . . 4.450 3.299 1.812 4.103 . 0 0 "[ . 1 . 2]" 2
926 1 39 LYS QD 1 40 PRO QD . . 4.770 3.790 2.078 4.570 . 0 0 "[ . 1 . 2]" 2
927 1 42 GLY QA 1 43 PRO QD . . 2.940 1.949 1.844 2.168 . 0 0 "[ . 1 . 2]" 2
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