NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508270 |
2eop   |
10191 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eop
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 39
_Distance_constraint_stats_list.Viol_total 0.878
_Distance_constraint_stats_list.Viol_max 0.003
_Distance_constraint_stats_list.Viol_rms 0.0005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0011
_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 0.015 0.002 9 0 "[ . 1 . 2]"
1 18 CYS 0.033 0.003 9 0 "[ . 1 . 2]"
1 31 HIS 0.024 0.003 9 0 "[ . 1 . 2]"
1 35 HIS 0.015 0.002 11 0 "[ . 1 . 2]"
2 1 ZN 0.000 0.000 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.367 2.318 2.388 . 0 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.363 3.281 3.425 . 0 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.314 2.222 2.389 . 0 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.430 3.332 3.509 . 0 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.082 2.003 2.100 . 0 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 2.066 1.997 2.100 0.000 19 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.931 3.735 3.962 0.002 9 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.458 3.324 3.688 . 0 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.712 3.677 3.722 0.002 15 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.322 3.317 3.361 0.003 9 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.621 3.411 3.721 0.001 6 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.519 3.373 3.602 0.002 11 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 879
_Distance_constraint_stats_list.Viol_count 754
_Distance_constraint_stats_list.Viol_total 223.428
_Distance_constraint_stats_list.Viol_max 0.140
_Distance_constraint_stats_list.Viol_rms 0.0050
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0148
_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 0.101 0.046 20 0 "[ . 1 . 2]"
1 11 LYS 0.057 0.025 11 0 "[ . 1 . 2]"
1 12 PRO 3.711 0.140 18 0 "[ . 1 . 2]"
1 13 HIS 2.716 0.140 18 0 "[ . 1 . 2]"
1 14 GLU 0.817 0.041 17 0 "[ . 1 . 2]"
1 15 CYS 0.531 0.035 4 0 "[ . 1 . 2]"
1 16 ARG 0.288 0.129 13 0 "[ . 1 . 2]"
1 17 GLU 0.248 0.049 8 0 "[ . 1 . 2]"
1 18 CYS 0.071 0.026 3 0 "[ . 1 . 2]"
1 19 GLY 0.145 0.025 10 0 "[ . 1 . 2]"
1 20 LYS 0.546 0.112 15 0 "[ . 1 . 2]"
1 21 SER 1.995 0.112 15 0 "[ . 1 . 2]"
1 22 PHE 0.843 0.033 4 0 "[ . 1 . 2]"
1 23 SER 1.582 0.063 18 0 "[ . 1 . 2]"
1 24 PHE 0.335 0.023 11 0 "[ . 1 . 2]"
1 25 ASN 0.217 0.017 7 0 "[ . 1 . 2]"
1 26 SER 0.125 0.012 5 0 "[ . 1 . 2]"
1 27 GLN 1.001 0.033 16 0 "[ . 1 . 2]"
1 28 LEU 0.656 0.033 4 0 "[ . 1 . 2]"
1 29 ILE 0.392 0.018 5 0 "[ . 1 . 2]"
1 30 VAL 0.864 0.048 17 0 "[ . 1 . 2]"
1 31 HIS 1.255 0.032 8 0 "[ . 1 . 2]"
1 32 GLN 0.460 0.037 18 0 "[ . 1 . 2]"
1 33 ARG 0.816 0.048 17 0 "[ . 1 . 2]"
1 34 ILE 1.577 0.037 18 0 "[ . 1 . 2]"
1 35 HIS 0.069 0.010 20 0 "[ . 1 . 2]"
1 36 THR 0.030 0.022 9 0 "[ . 1 . 2]"
1 37 GLY 0.002 0.002 17 0 "[ . 1 . 2]"
1 38 GLU 0.026 0.022 9 0 "[ . 1 . 2]"
1 39 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PRO 0.034 0.020 12 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PRO 0.034 0.020 12 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 25 ASN HA 1 25 ASN HD21 . . 4.830 2.523 2.123 3.192 . 0 0 "[ . 1 . 2]" 2
2 1 25 ASN HA 1 25 ASN HD22 . . 4.830 3.721 3.566 4.132 . 0 0 "[ . 1 . 2]" 2
3 1 25 ASN HD21 1 29 ILE HG13 . . 4.870 4.444 2.529 4.872 0.002 7 0 "[ . 1 . 2]" 2
4 1 25 ASN HD21 1 29 ILE HG12 . . 5.120 3.723 1.898 4.394 . 0 0 "[ . 1 . 2]" 2
5 1 25 ASN HD22 1 29 ILE HG12 . . 5.120 3.368 2.903 3.606 . 0 0 "[ . 1 . 2]" 2
6 1 25 ASN HD21 1 28 LEU MD2 . . 4.760 3.461 2.953 4.290 . 0 0 "[ . 1 . 2]" 2
7 1 25 ASN HD22 1 28 LEU MD2 . . 4.760 3.857 3.537 4.523 . 0 0 "[ . 1 . 2]" 2
8 1 25 ASN HD21 1 29 ILE MD . . 4.050 3.313 2.266 3.654 . 0 0 "[ . 1 . 2]" 2
9 1 25 ASN HD22 1 29 ILE HG13 . . 4.870 3.842 3.512 4.052 . 0 0 "[ . 1 . 2]" 2
10 1 38 GLU HB2 1 39 ASN H . . 5.310 3.984 2.058 4.559 . 0 0 "[ . 1 . 2]" 2
11 1 38 GLU HB3 1 39 ASN H . . 5.310 3.706 2.070 4.393 . 0 0 "[ . 1 . 2]" 2
12 1 38 GLU H 1 39 ASN H . . 5.270 4.378 3.861 4.629 . 0 0 "[ . 1 . 2]" 2
13 1 15 CYS HA 1 32 GLN HE22 . . 4.630 3.961 3.782 4.079 . 0 0 "[ . 1 . 2]" 2
14 1 15 CYS HA 1 32 GLN HE21 . . 4.630 2.923 2.763 3.048 . 0 0 "[ . 1 . 2]" 2
15 1 39 ASN H 1 40 PRO QD . . 5.380 3.923 2.269 4.375 . 0 0 "[ . 1 . 2]" 2
16 1 29 ILE HA 1 32 GLN HE21 . . 5.500 4.892 4.791 5.034 . 0 0 "[ . 1 . 2]" 2
17 1 28 LEU HG 1 32 GLN HE22 . . 4.510 3.755 3.603 3.848 . 0 0 "[ . 1 . 2]" 2
18 1 27 GLN HA 1 27 GLN HE22 . . 5.500 5.404 5.294 5.524 0.024 19 0 "[ . 1 . 2]" 2
19 1 27 GLN HA 1 27 GLN HE21 . . 4.730 3.874 3.731 4.016 . 0 0 "[ . 1 . 2]" 2
20 1 22 PHE HB3 1 27 GLN HE22 . . 4.350 3.972 3.541 4.185 . 0 0 "[ . 1 . 2]" 2
21 1 22 PHE HB3 1 27 GLN HE21 . . 4.620 3.801 3.244 4.116 . 0 0 "[ . 1 . 2]" 2
22 1 27 GLN HE21 1 27 GLN HG2 . . 3.240 2.566 2.421 2.694 . 0 0 "[ . 1 . 2]" 2
23 1 27 GLN HE22 1 27 GLN HG2 . . 3.670 3.619 3.558 3.675 0.005 2 0 "[ . 1 . 2]" 2
24 1 27 GLN HB2 1 27 GLN HE22 . . 4.680 4.191 3.978 4.325 . 0 0 "[ . 1 . 2]" 2
25 1 27 GLN HB2 1 27 GLN HE21 . . 4.440 3.393 3.071 3.628 . 0 0 "[ . 1 . 2]" 2
26 1 10 GLU H 1 11 LYS H . . 4.910 4.223 3.070 4.628 . 0 0 "[ . 1 . 2]" 2
27 1 10 GLU H 1 10 GLU HG2 . . 5.500 3.458 2.219 4.818 . 0 0 "[ . 1 . 2]" 2
28 1 10 GLU H 1 10 GLU HG3 . . 5.500 3.721 1.897 4.595 . 0 0 "[ . 1 . 2]" 2
29 1 36 THR H 1 38 GLU H . . 5.060 4.876 4.439 5.082 0.022 9 0 "[ . 1 . 2]" 2
30 1 36 THR H 1 36 THR HB . . 3.790 2.736 2.556 2.970 . 0 0 "[ . 1 . 2]" 2
31 1 33 ARG HA 1 36 THR H . . 4.140 3.748 3.416 4.035 . 0 0 "[ . 1 . 2]" 2
32 1 34 ILE HA 1 36 THR H . . 5.390 4.901 4.336 5.225 . 0 0 "[ . 1 . 2]" 2
33 1 35 HIS HB3 1 36 THR H . . 4.130 3.363 3.132 3.763 . 0 0 "[ . 1 . 2]" 2
34 1 35 HIS HB2 1 36 THR H . . 3.890 2.382 2.153 2.807 . 0 0 "[ . 1 . 2]" 2
35 1 38 GLU H 1 38 GLU HG2 . . 5.290 4.038 1.980 4.955 . 0 0 "[ . 1 . 2]" 2
36 1 38 GLU H 1 38 GLU HG3 . . 5.290 4.039 2.257 4.856 . 0 0 "[ . 1 . 2]" 2
37 1 38 GLU H 1 38 GLU HB2 . . 3.980 2.762 2.191 3.722 . 0 0 "[ . 1 . 2]" 2
38 1 36 THR H 1 36 THR MG . . 3.530 1.983 1.881 2.152 . 0 0 "[ . 1 . 2]" 2
39 1 22 PHE QE 1 31 HIS H . . 4.830 4.616 4.517 4.708 . 0 0 "[ . 1 . 2]" 2
40 1 31 HIS H 1 32 GLN H . . 3.070 2.490 2.454 2.519 . 0 0 "[ . 1 . 2]" 2
41 1 31 HIS H 1 33 ARG H . . 4.210 3.780 3.756 3.802 . 0 0 "[ . 1 . 2]" 2
42 1 30 VAL H 1 31 HIS H . . 2.970 2.529 2.486 2.562 . 0 0 "[ . 1 . 2]" 2
43 1 22 PHE HZ 1 31 HIS H . . 5.010 4.782 4.630 4.891 . 0 0 "[ . 1 . 2]" 2
44 1 31 HIS H 1 31 HIS HB3 . . 2.700 2.250 2.238 2.273 . 0 0 "[ . 1 . 2]" 2
45 1 31 HIS H 1 31 HIS HB2 . . 3.020 2.977 2.934 3.009 . 0 0 "[ . 1 . 2]" 2
46 1 27 GLN HB3 1 31 HIS H . . 5.290 5.237 5.175 5.293 0.003 14 0 "[ . 1 . 2]" 2
47 1 30 VAL HB 1 31 HIS H . . 3.190 3.004 2.984 3.037 . 0 0 "[ . 1 . 2]" 2
48 1 28 LEU MD1 1 32 GLN HE22 . . 3.870 3.653 3.526 3.864 . 0 0 "[ . 1 . 2]" 2
49 1 28 LEU MD2 1 32 GLN HE22 . . 4.090 3.287 3.042 3.489 . 0 0 "[ . 1 . 2]" 2
50 1 30 VAL MG1 1 31 HIS H . . 3.740 3.684 3.633 3.726 . 0 0 "[ . 1 . 2]" 2
51 1 16 ARG H 1 17 GLU H . . 3.700 2.626 2.391 2.870 . 0 0 "[ . 1 . 2]" 2
52 1 17 GLU H 1 19 GLY H . . 3.840 3.806 3.128 3.865 0.025 10 0 "[ . 1 . 2]" 2
53 1 17 GLU H 1 35 HIS HD2 . . 5.010 4.795 4.580 4.989 . 0 0 "[ . 1 . 2]" 2
54 1 17 GLU H 1 18 CYS HA . . 5.220 5.159 4.626 5.246 0.026 3 0 "[ . 1 . 2]" 2
55 1 15 CYS HA 1 17 GLU H . . 3.910 3.324 3.207 3.601 . 0 0 "[ . 1 . 2]" 2
56 1 15 CYS HB3 1 17 GLU H . . 4.160 3.669 3.226 3.848 . 0 0 "[ . 1 . 2]" 2
57 1 16 ARG QD 1 17 GLU H . . 5.430 4.886 2.194 5.479 0.049 8 0 "[ . 1 . 2]" 2
58 1 17 GLU H 1 32 GLN HG2 . . 5.480 4.465 4.129 4.772 . 0 0 "[ . 1 . 2]" 2
59 1 17 GLU H 1 17 GLU HG3 . . 3.600 3.384 2.452 3.583 . 0 0 "[ . 1 . 2]" 2
60 1 17 GLU H 1 17 GLU HG2 . . 3.600 2.386 2.143 3.333 . 0 0 "[ . 1 . 2]" 2
61 1 17 GLU H 1 17 GLU QB . . 2.660 2.443 2.378 2.661 0.001 12 0 "[ . 1 . 2]" 2
62 1 17 GLU H 1 28 LEU MD1 . . 5.080 4.589 4.450 4.731 . 0 0 "[ . 1 . 2]" 2
63 1 24 PHE H 1 27 GLN H . . 4.560 4.503 4.334 4.583 0.023 11 0 "[ . 1 . 2]" 2
64 1 22 PHE QD 1 27 GLN H . . 5.500 5.145 5.087 5.207 . 0 0 "[ . 1 . 2]" 2
65 1 24 PHE QD 1 27 GLN H . . 5.500 4.975 4.873 5.060 . 0 0 "[ . 1 . 2]" 2
66 1 22 PHE HB3 1 27 GLN H . . 4.410 4.388 4.345 4.415 0.005 18 0 "[ . 1 . 2]" 2
67 1 24 PHE HB3 1 27 GLN H . . 3.680 3.215 3.130 3.317 . 0 0 "[ . 1 . 2]" 2
68 1 27 GLN H 1 27 GLN HG2 . . 3.330 3.158 3.022 3.293 . 0 0 "[ . 1 . 2]" 2
69 1 27 GLN H 1 27 GLN HG3 . . 3.070 2.173 2.071 2.323 . 0 0 "[ . 1 . 2]" 2
70 1 27 GLN H 1 27 GLN HB2 . . 3.540 2.549 2.472 2.587 . 0 0 "[ . 1 . 2]" 2
71 1 27 GLN H 1 29 ILE HG12 . . 4.980 4.690 4.610 4.787 . 0 0 "[ . 1 . 2]" 2
72 1 27 GLN H 1 30 VAL MG2 . . 4.760 4.563 4.493 4.640 . 0 0 "[ . 1 . 2]" 2
73 1 36 THR H 1 37 GLY H . . 4.160 3.052 2.423 4.044 . 0 0 "[ . 1 . 2]" 2
74 1 36 THR MG 1 37 GLY H . . 5.020 2.960 1.884 4.179 . 0 0 "[ . 1 . 2]" 2
75 1 13 HIS H 1 13 HIS HD2 . . 4.120 4.013 3.815 4.034 . 0 0 "[ . 1 . 2]" 2
76 1 13 HIS H 1 21 SER HA . . 5.060 4.642 4.449 4.820 . 0 0 "[ . 1 . 2]" 2
77 1 12 PRO HA 1 13 HIS H . . 3.270 3.272 3.266 3.313 0.043 18 0 "[ . 1 . 2]" 2
78 1 12 PRO QD 1 13 HIS H . . 3.690 2.999 2.917 3.011 . 0 0 "[ . 1 . 2]" 2
79 1 13 HIS H 1 13 HIS HB2 . . 3.370 2.850 2.702 2.888 . 0 0 "[ . 1 . 2]" 2
80 1 13 HIS H 1 13 HIS HB3 . . 4.060 3.898 3.815 3.920 . 0 0 "[ . 1 . 2]" 2
81 1 13 HIS H 1 22 PHE HB2 . . 5.360 5.097 4.880 5.208 . 0 0 "[ . 1 . 2]" 2
82 1 12 PRO HB3 1 13 HIS H . . 4.570 4.527 4.490 4.532 . 0 0 "[ . 1 . 2]" 2
83 1 13 HIS H 1 14 GLU QB . . 5.350 4.466 4.398 4.601 . 0 0 "[ . 1 . 2]" 2
84 1 12 PRO HG2 1 13 HIS H . . 4.370 3.428 3.299 3.445 . 0 0 "[ . 1 . 2]" 2
85 1 13 HIS H 1 28 LEU MD2 . . 5.000 4.709 4.580 4.864 . 0 0 "[ . 1 . 2]" 2
86 1 30 VAL H 1 32 GLN H . . 4.610 4.347 4.296 4.375 . 0 0 "[ . 1 . 2]" 2
87 1 29 ILE H 1 30 VAL H . . 3.150 2.579 2.543 2.611 . 0 0 "[ . 1 . 2]" 2
88 1 27 GLN HA 1 30 VAL H . . 3.520 3.313 3.301 3.334 . 0 0 "[ . 1 . 2]" 2
89 1 28 LEU HA 1 30 VAL H . . 4.620 4.439 4.337 4.520 . 0 0 "[ . 1 . 2]" 2
90 1 30 VAL H 1 31 HIS HB3 . . 4.600 4.523 4.473 4.555 . 0 0 "[ . 1 . 2]" 2
91 1 30 VAL H 1 31 HIS HB2 . . 5.340 5.242 5.158 5.306 . 0 0 "[ . 1 . 2]" 2
92 1 27 GLN HB3 1 30 VAL H . . 5.180 5.103 5.062 5.158 . 0 0 "[ . 1 . 2]" 2
93 1 28 LEU HB3 1 30 VAL H . . 5.320 5.235 5.179 5.267 . 0 0 "[ . 1 . 2]" 2
94 1 30 VAL H 1 30 VAL HB . . 2.750 2.475 2.441 2.503 . 0 0 "[ . 1 . 2]" 2
95 1 29 ILE HG13 1 30 VAL H . . 4.760 4.551 4.515 4.609 . 0 0 "[ . 1 . 2]" 2
96 1 29 ILE HG12 1 30 VAL H . . 4.220 4.017 3.991 4.040 . 0 0 "[ . 1 . 2]" 2
97 1 29 ILE H 1 31 HIS H . . 4.370 3.850 3.815 3.875 . 0 0 "[ . 1 . 2]" 2
98 1 27 GLN H 1 29 ILE H . . 4.120 3.862 3.807 3.925 . 0 0 "[ . 1 . 2]" 2
99 1 22 PHE HB2 1 29 ILE H . . 5.500 5.294 5.213 5.386 . 0 0 "[ . 1 . 2]" 2
100 1 27 GLN HB3 1 29 ILE H . . 5.500 5.128 5.078 5.168 . 0 0 "[ . 1 . 2]" 2
101 1 28 LEU HB3 1 29 ILE H . . 3.080 2.864 2.822 2.916 . 0 0 "[ . 1 . 2]" 2
102 1 26 SER HA 1 29 ILE H . . 3.800 3.766 3.719 3.799 . 0 0 "[ . 1 . 2]" 2
103 1 29 ILE H 1 31 HIS HB3 . . 5.130 4.904 4.861 4.950 . 0 0 "[ . 1 . 2]" 2
104 1 29 ILE H 1 32 GLN HG3 . . 5.110 5.001 4.892 5.105 . 0 0 "[ . 1 . 2]" 2
105 1 29 ILE H 1 29 ILE HB . . 2.750 2.667 2.659 2.676 . 0 0 "[ . 1 . 2]" 2
106 1 29 ILE H 1 29 ILE HG12 . . 2.970 1.897 1.892 1.899 . 0 0 "[ . 1 . 2]" 2
107 1 15 CYS H 1 22 PHE H . . 5.330 5.033 4.892 5.153 . 0 0 "[ . 1 . 2]" 2
108 1 13 HIS H 1 22 PHE H . . 3.710 3.522 3.198 3.631 . 0 0 "[ . 1 . 2]" 2
109 1 22 PHE H 1 22 PHE QD . . 2.990 2.462 2.368 2.625 . 0 0 "[ . 1 . 2]" 2
110 1 22 PHE H 1 22 PHE QE . . 4.940 4.569 4.465 4.701 . 0 0 "[ . 1 . 2]" 2
111 1 21 SER HA 1 22 PHE H . . 2.670 2.196 2.166 2.275 . 0 0 "[ . 1 . 2]" 2
112 1 22 PHE H 1 23 SER HA . . 4.960 4.873 4.789 4.936 . 0 0 "[ . 1 . 2]" 2
113 1 21 SER QB 1 22 PHE H . . 3.100 2.994 2.730 3.108 0.008 9 0 "[ . 1 . 2]" 2
114 1 13 HIS HB2 1 22 PHE H . . 3.650 2.978 2.809 3.052 . 0 0 "[ . 1 . 2]" 2
115 1 13 HIS HB3 1 22 PHE H . . 4.320 3.962 3.783 4.074 . 0 0 "[ . 1 . 2]" 2
116 1 22 PHE H 1 22 PHE HB2 . . 3.150 2.806 2.749 2.884 . 0 0 "[ . 1 . 2]" 2
117 1 22 PHE H 1 27 GLN HB2 . . 5.500 5.521 5.508 5.533 0.033 16 0 "[ . 1 . 2]" 2
118 1 14 GLU QB 1 22 PHE H . . 5.260 5.116 5.030 5.202 . 0 0 "[ . 1 . 2]" 2
119 1 11 LYS HG3 1 22 PHE H . . 4.560 3.370 3.158 3.519 . 0 0 "[ . 1 . 2]" 2
120 1 22 PHE H 1 28 LEU HB2 . . 4.920 3.780 3.623 3.896 . 0 0 "[ . 1 . 2]" 2
121 1 22 PHE H 1 28 LEU MD1 . . 4.930 4.148 3.944 4.475 . 0 0 "[ . 1 . 2]" 2
122 1 22 PHE H 1 28 LEU MD2 . . 5.260 4.080 3.927 4.271 . 0 0 "[ . 1 . 2]" 2
123 1 33 ARG H 1 33 ARG HA . . 2.940 2.810 2.802 2.817 . 0 0 "[ . 1 . 2]" 2
124 1 30 VAL HA 1 33 ARG H . . 4.020 3.876 3.847 3.911 . 0 0 "[ . 1 . 2]" 2
125 1 32 GLN HG3 1 33 ARG H . . 5.270 4.788 4.747 4.833 . 0 0 "[ . 1 . 2]" 2
126 1 32 GLN HG2 1 33 ARG H . . 5.500 5.021 4.994 5.054 . 0 0 "[ . 1 . 2]" 2
127 1 32 GLN HB2 1 33 ARG H . . 3.760 3.076 3.048 3.104 . 0 0 "[ . 1 . 2]" 2
128 1 32 GLN HB3 1 33 ARG H . . 4.020 3.779 3.727 3.811 . 0 0 "[ . 1 . 2]" 2
129 1 33 ARG H 1 33 ARG HG3 . . 2.680 2.092 1.929 2.184 . 0 0 "[ . 1 . 2]" 2
130 1 33 ARG H 1 33 ARG HB2 . . 2.890 2.775 2.714 2.865 . 0 0 "[ . 1 . 2]" 2
131 1 33 ARG H 1 33 ARG HG2 . . 3.230 2.510 2.423 2.614 . 0 0 "[ . 1 . 2]" 2
132 1 30 VAL MG2 1 33 ARG H . . 5.500 5.528 5.511 5.548 0.048 17 0 "[ . 1 . 2]" 2
133 1 22 PHE QD 1 23 SER H . . 5.500 4.476 4.265 4.603 . 0 0 "[ . 1 . 2]" 2
134 1 23 SER H 1 27 GLN HE22 . . 5.500 4.380 3.674 4.783 . 0 0 "[ . 1 . 2]" 2
135 1 22 PHE HB3 1 23 SER H . . 4.720 3.207 2.940 3.415 . 0 0 "[ . 1 . 2]" 2
136 1 22 PHE HB2 1 23 SER H . . 5.160 4.059 3.921 4.177 . 0 0 "[ . 1 . 2]" 2
137 1 34 ILE HG12 1 35 HIS H . . 4.040 2.484 2.406 2.576 . 0 0 "[ . 1 . 2]" 2
138 1 35 HIS H 1 35 HIS HD2 . . 3.740 3.193 3.090 3.298 . 0 0 "[ . 1 . 2]" 2
139 1 35 HIS H 1 36 THR HA . . 5.500 5.199 5.076 5.286 . 0 0 "[ . 1 . 2]" 2
140 1 35 HIS H 1 36 THR HB . . 5.500 5.222 5.051 5.432 . 0 0 "[ . 1 . 2]" 2
141 1 35 HIS H 1 35 HIS HB2 . . 3.030 2.414 2.387 2.440 . 0 0 "[ . 1 . 2]" 2
142 1 34 ILE HG13 1 35 HIS H . . 3.710 2.684 2.577 2.791 . 0 0 "[ . 1 . 2]" 2
143 1 31 HIS H 1 34 ILE H . . 5.500 5.521 5.512 5.532 0.032 8 0 "[ . 1 . 2]" 2
144 1 33 ARG H 1 34 ILE H . . 3.110 2.680 2.672 2.691 . 0 0 "[ . 1 . 2]" 2
145 1 34 ILE H 1 35 HIS H . . 3.220 2.293 2.268 2.317 . 0 0 "[ . 1 . 2]" 2
146 1 34 ILE H 1 35 HIS HD2 . . 4.870 4.274 4.155 4.379 . 0 0 "[ . 1 . 2]" 2
147 1 33 ARG HA 1 34 ILE H . . 3.520 3.328 3.314 3.341 . 0 0 "[ . 1 . 2]" 2
148 1 32 GLN HA 1 34 ILE H . . 3.860 3.298 3.288 3.313 . 0 0 "[ . 1 . 2]" 2
149 1 34 ILE H 1 35 HIS HB2 . . 4.470 4.456 4.417 4.476 0.006 14 0 "[ . 1 . 2]" 2
150 1 32 GLN HG2 1 34 ILE H . . 5.500 5.517 5.509 5.537 0.037 18 0 "[ . 1 . 2]" 2
151 1 33 ARG HB2 1 34 ILE H . . 3.780 3.413 3.370 3.469 . 0 0 "[ . 1 . 2]" 2
152 1 34 ILE H 1 34 ILE HG12 . . 3.270 2.330 2.322 2.343 . 0 0 "[ . 1 . 2]" 2
153 1 34 ILE H 1 34 ILE HG13 . . 3.830 3.466 3.447 3.488 . 0 0 "[ . 1 . 2]" 2
154 1 14 GLU H 1 15 CYS H . . 4.550 4.517 4.490 4.551 0.001 18 0 "[ . 1 . 2]" 2
155 1 13 HIS H 1 14 GLU H . . 4.060 3.848 3.767 3.885 . 0 0 "[ . 1 . 2]" 2
156 1 14 GLU H 1 21 SER HA . . 4.970 4.706 4.446 4.797 . 0 0 "[ . 1 . 2]" 2
157 1 13 HIS HA 1 14 GLU H . . 2.690 2.170 2.166 2.229 . 0 0 "[ . 1 . 2]" 2
158 1 14 GLU H 1 21 SER QB . . 5.500 5.225 4.905 5.362 . 0 0 "[ . 1 . 2]" 2
159 1 13 HIS HB2 1 14 GLU H . . 4.660 4.433 4.421 4.504 . 0 0 "[ . 1 . 2]" 2
160 1 13 HIS HB3 1 14 GLU H . . 4.000 3.776 3.765 3.968 . 0 0 "[ . 1 . 2]" 2
161 1 14 GLU H 1 14 GLU HG3 . . 4.710 4.459 4.366 4.564 . 0 0 "[ . 1 . 2]" 2
162 1 14 GLU H 1 28 LEU MD2 . . 3.730 3.072 2.985 3.297 . 0 0 "[ . 1 . 2]" 2
163 1 11 LYS H 1 11 LYS HG2 . . 4.280 2.402 1.897 3.131 . 0 0 "[ . 1 . 2]" 2
164 1 10 GLU HB2 1 11 LYS H . . 4.710 3.722 2.207 4.657 . 0 0 "[ . 1 . 2]" 2
165 1 11 LYS H 1 21 SER QB . . 4.400 2.848 2.277 3.236 . 0 0 "[ . 1 . 2]" 2
166 1 10 GLU HA 1 11 LYS H . . 3.220 2.369 2.138 2.808 . 0 0 "[ . 1 . 2]" 2
167 1 10 GLU HB3 1 11 LYS H . . 4.710 3.577 2.074 4.652 . 0 0 "[ . 1 . 2]" 2
168 1 14 GLU H 1 14 GLU QB . . 2.940 2.416 2.325 2.445 . 0 0 "[ . 1 . 2]" 2
169 1 15 CYS H 1 28 LEU MD1 . . 3.570 3.188 3.085 3.306 . 0 0 "[ . 1 . 2]" 2
170 1 14 GLU HG3 1 15 CYS H . . 3.740 2.987 2.879 3.100 . 0 0 "[ . 1 . 2]" 2
171 1 15 CYS H 1 15 CYS HB2 . . 2.960 2.557 2.463 2.672 . 0 0 "[ . 1 . 2]" 2
172 1 15 CYS H 1 15 CYS HB3 . . 2.860 2.683 2.611 2.752 . 0 0 "[ . 1 . 2]" 2
173 1 15 CYS H 1 21 SER QB . . 4.710 4.522 4.286 4.738 0.028 20 0 "[ . 1 . 2]" 2
174 1 15 CYS H 1 21 SER HA . . 3.580 3.319 3.047 3.512 . 0 0 "[ . 1 . 2]" 2
175 1 15 CYS H 1 22 PHE QE . . 4.080 4.006 3.900 4.088 0.008 15 0 "[ . 1 . 2]" 2
176 1 15 CYS H 1 31 HIS HD2 . . 5.430 5.360 5.263 5.433 0.003 19 0 "[ . 1 . 2]" 2
177 1 15 CYS H 1 22 PHE QD . . 4.340 4.308 4.170 4.343 0.003 14 0 "[ . 1 . 2]" 2
178 1 15 CYS H 1 20 LYS H . . 4.050 3.558 3.272 3.895 . 0 0 "[ . 1 . 2]" 2
179 1 15 CYS H 1 19 GLY HA2 . . 4.850 3.869 3.648 4.076 . 0 0 "[ . 1 . 2]" 2
180 1 15 CYS H 1 16 ARG HA . . 5.500 5.108 5.038 5.213 . 0 0 "[ . 1 . 2]" 2
181 1 15 CYS H 1 19 GLY HA3 . . 5.500 5.173 5.010 5.314 . 0 0 "[ . 1 . 2]" 2
182 1 14 GLU QB 1 15 CYS H . . 3.610 3.408 3.340 3.482 . 0 0 "[ . 1 . 2]" 2
183 1 16 ARG H 1 28 LEU MD1 . . 4.800 3.967 3.721 4.051 . 0 0 "[ . 1 . 2]" 2
184 1 16 ARG H 1 16 ARG QG . . 4.170 3.325 2.067 4.087 . 0 0 "[ . 1 . 2]" 2
185 1 15 CYS HB2 1 16 ARG H . . 5.260 4.526 4.397 4.627 . 0 0 "[ . 1 . 2]" 2
186 1 16 ARG H 1 32 GLN HG2 . . 5.500 5.111 4.593 5.420 . 0 0 "[ . 1 . 2]" 2
187 1 15 CYS HA 1 16 ARG H . . 3.420 2.178 2.139 2.262 . 0 0 "[ . 1 . 2]" 2
188 1 17 GLU QB 1 18 CYS H . . 2.920 2.319 2.214 2.649 . 0 0 "[ . 1 . 2]" 2
189 1 17 GLU HG2 1 18 CYS H . . 4.640 4.292 4.105 4.643 0.003 15 0 "[ . 1 . 2]" 2
190 1 17 GLU HG3 1 18 CYS H . . 4.640 4.525 4.106 4.641 0.001 8 0 "[ . 1 . 2]" 2
191 1 18 CYS H 1 18 CYS HB3 . . 3.270 3.091 3.008 3.175 . 0 0 "[ . 1 . 2]" 2
192 1 15 CYS HB3 1 18 CYS H . . 3.230 2.895 2.794 3.008 . 0 0 "[ . 1 . 2]" 2
193 1 18 CYS H 1 19 GLY HA2 . . 4.280 4.224 4.061 4.283 0.003 2 0 "[ . 1 . 2]" 2
194 1 15 CYS HA 1 18 CYS H . . 4.760 4.651 4.504 4.745 . 0 0 "[ . 1 . 2]" 2
195 1 18 CYS H 1 35 HIS HD2 . . 5.020 4.711 4.505 4.877 . 0 0 "[ . 1 . 2]" 2
196 1 17 GLU H 1 18 CYS H . . 2.870 2.622 1.950 2.744 . 0 0 "[ . 1 . 2]" 2
197 1 15 CYS H 1 18 CYS H . . 5.500 5.225 5.115 5.357 . 0 0 "[ . 1 . 2]" 2
198 1 19 GLY H 1 20 LYS HB2 . . 3.830 3.727 3.685 3.807 . 0 0 "[ . 1 . 2]" 2
199 1 14 GLU HG2 1 19 GLY H . . 4.890 4.733 4.499 4.894 0.004 4 0 "[ . 1 . 2]" 2
200 1 15 CYS HB3 1 19 GLY H . . 3.270 2.172 2.080 2.225 . 0 0 "[ . 1 . 2]" 2
201 1 19 GLY H 1 19 GLY HA2 . . 2.650 2.524 2.473 2.552 . 0 0 "[ . 1 . 2]" 2
202 1 18 CYS H 1 19 GLY H . . 2.530 2.026 1.895 2.073 . 0 0 "[ . 1 . 2]" 2
203 1 15 CYS H 1 19 GLY H . . 4.410 3.974 3.836 4.105 . 0 0 "[ . 1 . 2]" 2
204 1 20 LYS H 1 20 LYS HB3 . . 3.600 3.514 3.481 3.564 . 0 0 "[ . 1 . 2]" 2
205 1 20 LYS H 1 20 LYS HB2 . . 2.950 2.224 2.176 2.321 . 0 0 "[ . 1 . 2]" 2
206 1 20 LYS H 1 20 LYS HG3 . . 3.930 2.897 2.712 3.087 . 0 0 "[ . 1 . 2]" 2
207 1 15 CYS HB3 1 20 LYS H . . 3.100 2.148 1.916 2.345 . 0 0 "[ . 1 . 2]" 2
208 1 18 CYS HA 1 20 LYS H . . 5.120 4.876 4.758 4.985 . 0 0 "[ . 1 . 2]" 2
209 1 20 LYS H 1 22 PHE QE . . 5.110 4.651 4.384 4.963 . 0 0 "[ . 1 . 2]" 2
210 1 19 GLY H 1 20 LYS H . . 3.290 1.910 1.818 2.057 . 0 0 "[ . 1 . 2]" 2
211 1 20 LYS HB3 1 21 SER H . . 3.150 2.181 1.998 2.309 . 0 0 "[ . 1 . 2]" 2
212 1 20 LYS HB2 1 21 SER H . . 3.720 3.642 3.487 3.737 0.017 12 0 "[ . 1 . 2]" 2
213 1 20 LYS QD 1 21 SER H . . 4.320 3.929 3.482 4.305 . 0 0 "[ . 1 . 2]" 2
214 1 21 SER H 1 21 SER QB . . 3.030 3.040 2.956 3.090 0.060 7 0 "[ . 1 . 2]" 2
215 1 22 PHE HA 1 24 PHE H . . 4.630 3.777 3.613 4.013 . 0 0 "[ . 1 . 2]" 2
216 1 21 SER H 1 22 PHE QE . . 4.660 3.888 3.703 4.067 . 0 0 "[ . 1 . 2]" 2
217 1 21 SER H 1 22 PHE H . . 4.410 4.274 4.242 4.327 . 0 0 "[ . 1 . 2]" 2
218 1 24 PHE H 1 27 GLN HB2 . . 3.850 3.364 3.267 3.425 . 0 0 "[ . 1 . 2]" 2
219 1 13 HIS HB2 1 24 PHE H . . 4.800 4.428 4.206 4.577 . 0 0 "[ . 1 . 2]" 2
220 1 23 SER HB2 1 24 PHE H . . 4.320 3.589 2.881 4.140 . 0 0 "[ . 1 . 2]" 2
221 1 24 PHE H 1 24 PHE HB3 . . 3.790 3.673 3.653 3.696 . 0 0 "[ . 1 . 2]" 2
222 1 22 PHE HB3 1 24 PHE H . . 2.900 2.811 2.687 2.906 0.006 14 0 "[ . 1 . 2]" 2
223 1 13 HIS HD2 1 24 PHE H . . 4.120 3.868 3.678 3.978 . 0 0 "[ . 1 . 2]" 2
224 1 24 PHE H 1 28 LEU H . . 4.630 4.623 4.571 4.649 0.019 2 0 "[ . 1 . 2]" 2
225 1 24 PHE H 1 24 PHE QD . . 3.530 2.836 2.694 3.078 . 0 0 "[ . 1 . 2]" 2
226 1 22 PHE H 1 24 PHE H . . 5.500 5.079 4.888 5.250 . 0 0 "[ . 1 . 2]" 2
227 1 23 SER H 1 24 PHE H . . 4.040 2.651 2.522 2.755 . 0 0 "[ . 1 . 2]" 2
228 1 22 PHE HB2 1 24 PHE H . . 3.650 3.480 3.352 3.624 . 0 0 "[ . 1 . 2]" 2
229 1 24 PHE H 1 24 PHE HB2 . . 3.040 2.500 2.461 2.556 . 0 0 "[ . 1 . 2]" 2
230 1 26 SER QB 1 27 GLN H . . 4.010 3.318 2.614 3.463 . 0 0 "[ . 1 . 2]" 2
231 1 28 LEU H 1 28 LEU MD1 . . 4.520 4.105 4.072 4.138 . 0 0 "[ . 1 . 2]" 2
232 1 28 LEU H 1 28 LEU MD2 . . 4.910 4.230 4.204 4.251 . 0 0 "[ . 1 . 2]" 2
233 1 28 LEU H 1 28 LEU HB2 . . 3.000 2.562 2.508 2.598 . 0 0 "[ . 1 . 2]" 2
234 1 28 LEU H 1 28 LEU HG . . 4.690 4.466 4.442 4.500 . 0 0 "[ . 1 . 2]" 2
235 1 28 LEU H 1 29 ILE HB . . 5.350 5.294 5.280 5.311 . 0 0 "[ . 1 . 2]" 2
236 1 27 GLN HB2 1 28 LEU H . . 3.720 2.089 2.052 2.132 . 0 0 "[ . 1 . 2]" 2
237 1 28 LEU H 1 28 LEU HB3 . . 2.870 2.469 2.434 2.532 . 0 0 "[ . 1 . 2]" 2
238 1 27 GLN HG3 1 28 LEU H . . 4.270 4.023 3.958 4.125 . 0 0 "[ . 1 . 2]" 2
239 1 22 PHE HB2 1 28 LEU H . . 3.260 2.605 2.550 2.692 . 0 0 "[ . 1 . 2]" 2
240 1 13 HIS HB3 1 28 LEU H . . 4.450 4.371 4.222 4.472 0.022 20 0 "[ . 1 . 2]" 2
241 1 13 HIS HB2 1 28 LEU H . . 4.490 4.427 4.288 4.495 0.005 15 0 "[ . 1 . 2]" 2
242 1 22 PHE HB3 1 28 LEU H . . 4.020 3.086 2.966 3.178 . 0 0 "[ . 1 . 2]" 2
243 1 25 ASN HA 1 28 LEU H . . 3.580 3.453 3.414 3.486 . 0 0 "[ . 1 . 2]" 2
244 1 27 GLN H 1 28 LEU H . . 2.940 2.892 2.835 2.937 . 0 0 "[ . 1 . 2]" 2
245 1 28 LEU H 1 31 HIS H . . 5.090 4.878 4.840 4.905 . 0 0 "[ . 1 . 2]" 2
246 1 28 LEU H 1 29 ILE H . . 2.970 2.833 2.802 2.860 . 0 0 "[ . 1 . 2]" 2
247 1 22 PHE H 1 28 LEU H . . 5.460 5.269 5.189 5.329 . 0 0 "[ . 1 . 2]" 2
248 1 29 ILE HG12 1 31 HIS H . . 5.500 5.501 5.477 5.518 0.018 5 0 "[ . 1 . 2]" 2
249 1 32 GLN H 1 34 ILE HG12 . . 5.500 4.837 4.823 4.851 . 0 0 "[ . 1 . 2]" 2
250 1 28 LEU HG 1 32 GLN H . . 4.420 4.313 4.170 4.427 0.007 8 0 "[ . 1 . 2]" 2
251 1 32 GLN H 1 33 ARG HG2 . . 4.940 4.661 4.555 4.791 . 0 0 "[ . 1 . 2]" 2
252 1 32 GLN H 1 33 ARG HB2 . . 5.500 5.344 5.272 5.449 . 0 0 "[ . 1 . 2]" 2
253 1 32 GLN H 1 33 ARG HG3 . . 4.270 4.067 3.901 4.151 . 0 0 "[ . 1 . 2]" 2
254 1 32 GLN H 1 32 GLN HB2 . . 2.950 2.356 2.314 2.379 . 0 0 "[ . 1 . 2]" 2
255 1 32 GLN H 1 32 GLN HG3 . . 2.880 2.616 2.563 2.673 . 0 0 "[ . 1 . 2]" 2
256 1 31 HIS HB3 1 32 GLN H . . 3.120 2.596 2.551 2.636 . 0 0 "[ . 1 . 2]" 2
257 1 28 LEU HA 1 32 GLN H . . 3.920 3.894 3.812 3.924 0.004 2 0 "[ . 1 . 2]" 2
258 1 30 VAL HA 1 32 GLN H . . 4.880 4.800 4.778 4.833 . 0 0 "[ . 1 . 2]" 2
259 1 31 HIS HD2 1 32 GLN H . . 3.670 3.294 3.237 3.391 . 0 0 "[ . 1 . 2]" 2
260 1 32 GLN H 1 33 ARG H . . 3.050 2.758 2.755 2.762 . 0 0 "[ . 1 . 2]" 2
261 1 32 GLN H 1 34 ILE H . . 4.500 4.254 4.246 4.262 . 0 0 "[ . 1 . 2]" 2
262 1 29 ILE H 1 32 GLN H . . 4.920 4.740 4.708 4.770 . 0 0 "[ . 1 . 2]" 2
263 1 33 ARG H 1 33 ARG QD . . 3.930 3.916 3.890 3.934 0.004 11 0 "[ . 1 . 2]" 2
264 1 35 HIS H 1 36 THR H . . 3.070 2.596 2.387 2.744 . 0 0 "[ . 1 . 2]" 2
265 1 38 GLU H 1 38 GLU HB3 . . 3.980 3.031 2.377 3.739 . 0 0 "[ . 1 . 2]" 2
266 1 28 LEU MD1 1 32 GLN H . . 3.760 3.348 3.083 3.453 . 0 0 "[ . 1 . 2]" 2
267 1 28 LEU MD1 1 32 GLN HE21 . . 3.870 2.104 1.961 2.364 . 0 0 "[ . 1 . 2]" 2
268 1 22 PHE QE 1 28 LEU MD1 . . 3.310 2.127 1.940 2.334 . 0 0 "[ . 1 . 2]" 2
269 1 21 SER HA 1 28 LEU MD1 . . 4.800 3.924 3.659 4.143 . 0 0 "[ . 1 . 2]" 2
270 1 15 CYS HA 1 28 LEU MD1 . . 3.240 2.156 1.967 2.294 . 0 0 "[ . 1 . 2]" 2
271 1 28 LEU MD1 1 29 ILE HA . . 4.740 4.455 4.261 4.635 . 0 0 "[ . 1 . 2]" 2
272 1 28 LEU MD1 1 31 HIS HB3 . . 3.520 2.980 2.897 3.034 . 0 0 "[ . 1 . 2]" 2
273 1 15 CYS HB2 1 28 LEU MD1 . . 3.010 2.107 1.964 2.285 . 0 0 "[ . 1 . 2]" 2
274 1 28 LEU MD1 1 32 GLN HG3 . . 3.260 2.335 2.131 2.538 . 0 0 "[ . 1 . 2]" 2
275 1 22 PHE HB2 1 28 LEU MD1 . . 4.360 4.049 3.926 4.238 . 0 0 "[ . 1 . 2]" 2
276 1 28 LEU HB3 1 28 LEU MD1 . . 3.370 3.195 3.192 3.196 . 0 0 "[ . 1 . 2]" 2
277 1 29 ILE H 1 30 VAL MG2 . . 4.250 4.216 4.161 4.255 0.005 15 0 "[ . 1 . 2]" 2
278 1 30 VAL MG2 1 31 HIS H . . 4.430 4.017 3.990 4.049 . 0 0 "[ . 1 . 2]" 2
279 1 30 VAL H 1 30 VAL MG2 . . 2.750 2.399 2.333 2.474 . 0 0 "[ . 1 . 2]" 2
280 1 28 LEU MD1 1 31 HIS HA . . 5.500 5.477 5.316 5.505 0.005 10 0 "[ . 1 . 2]" 2
281 1 30 VAL MG2 1 31 HIS HA . . 5.500 5.448 5.442 5.454 . 0 0 "[ . 1 . 2]" 2
282 1 27 GLN HA 1 30 VAL MG2 . . 3.330 2.904 2.819 2.954 . 0 0 "[ . 1 . 2]" 2
283 1 30 VAL HA 1 30 VAL MG2 . . 2.720 2.256 2.216 2.319 . 0 0 "[ . 1 . 2]" 2
284 1 32 GLN HB3 1 36 THR HB . . 5.500 5.268 4.865 5.501 0.001 5 0 "[ . 1 . 2]" 2
285 1 14 GLU HG2 1 19 GLY HA2 . . 4.020 3.055 2.830 3.249 . 0 0 "[ . 1 . 2]" 2
286 1 18 CYS HA 1 19 GLY HA3 . . 4.950 4.547 4.529 4.560 . 0 0 "[ . 1 . 2]" 2
287 1 18 CYS HA 1 19 GLY HA2 . . 5.280 5.035 4.996 5.082 . 0 0 "[ . 1 . 2]" 2
288 1 15 CYS HB3 1 19 GLY HA2 . . 4.560 3.814 3.685 3.930 . 0 0 "[ . 1 . 2]" 2
289 1 14 GLU HG2 1 19 GLY HA3 . . 4.740 4.467 4.112 4.703 . 0 0 "[ . 1 . 2]" 2
290 1 33 ARG H 1 36 THR MG . . 4.980 4.319 4.125 4.477 . 0 0 "[ . 1 . 2]" 2
291 1 35 HIS H 1 36 THR MG . . 5.140 3.622 3.421 3.861 . 0 0 "[ . 1 . 2]" 2
292 1 35 HIS HB2 1 36 THR MG . . 4.130 3.717 3.339 3.917 . 0 0 "[ . 1 . 2]" 2
293 1 36 THR MG 1 37 GLY HA3 . . 4.820 3.876 3.270 4.754 . 0 0 "[ . 1 . 2]" 2
294 1 36 THR MG 1 37 GLY HA2 . . 4.820 3.882 3.217 4.804 . 0 0 "[ . 1 . 2]" 2
295 1 18 CYS HA 1 35 HIS HE1 . . 4.200 3.920 3.707 4.161 . 0 0 "[ . 1 . 2]" 2
296 1 18 CYS HB2 1 35 HIS HE1 . . 3.720 3.696 3.578 3.730 0.010 20 0 "[ . 1 . 2]" 2
297 1 18 CYS HB3 1 35 HIS HE1 . . 2.920 2.023 1.999 2.066 . 0 0 "[ . 1 . 2]" 2
298 1 17 GLU QB 1 35 HIS HE1 . . 3.810 3.224 3.061 3.531 . 0 0 "[ . 1 . 2]" 2
299 1 30 VAL MG1 1 32 GLN H . . 5.500 5.357 5.310 5.394 . 0 0 "[ . 1 . 2]" 2
300 1 30 VAL MG1 1 33 ARG H . . 4.920 4.736 4.649 4.786 . 0 0 "[ . 1 . 2]" 2
301 1 30 VAL H 1 30 VAL MG1 . . 3.780 3.759 3.752 3.763 . 0 0 "[ . 1 . 2]" 2
302 1 30 VAL MG1 1 33 ARG QD . . 3.830 3.300 2.904 3.677 . 0 0 "[ . 1 . 2]" 2
303 1 30 VAL MG1 1 31 HIS HB2 . . 4.620 4.527 4.421 4.619 . 0 0 "[ . 1 . 2]" 2
304 1 20 LYS QD 1 31 HIS HE1 . . 3.290 2.700 2.289 3.174 . 0 0 "[ . 1 . 2]" 2
305 1 20 LYS HB3 1 31 HIS HE1 . . 5.360 5.220 5.108 5.306 . 0 0 "[ . 1 . 2]" 2
306 1 31 HIS HE1 1 34 ILE HG12 . . 4.190 3.921 3.766 4.036 . 0 0 "[ . 1 . 2]" 2
307 1 31 HIS HE1 1 34 ILE MD . . 2.990 2.000 1.912 2.065 . 0 0 "[ . 1 . 2]" 2
308 1 42 GLY HA3 1 43 PRO QD . . 3.600 2.925 2.003 3.462 . 0 0 "[ . 1 . 2]" 2
309 1 13 HIS HE1 1 25 ASN HA . . 4.940 4.106 3.922 4.299 . 0 0 "[ . 1 . 2]" 2
310 1 13 HIS HE1 1 25 ASN HB2 . . 3.860 2.521 2.455 2.743 . 0 0 "[ . 1 . 2]" 2
311 1 12 PRO HB2 1 13 HIS HE1 . . 5.080 4.594 4.506 4.937 . 0 0 "[ . 1 . 2]" 2
312 1 33 ARG HA 1 33 ARG QD . . 4.390 4.076 3.822 4.198 . 0 0 "[ . 1 . 2]" 2
313 1 33 ARG HB3 1 33 ARG QD . . 3.140 2.438 2.077 2.692 . 0 0 "[ . 1 . 2]" 2
314 1 30 VAL MG2 1 33 ARG QD . . 4.430 3.380 3.155 3.577 . 0 0 "[ . 1 . 2]" 2
315 1 22 PHE H 1 22 PHE HB3 . . 4.060 3.858 3.825 3.907 . 0 0 "[ . 1 . 2]" 2
316 1 13 HIS HD2 1 22 PHE HB2 . . 4.950 4.454 4.332 4.535 . 0 0 "[ . 1 . 2]" 2
317 1 21 SER HA 1 22 PHE HB2 . . 4.700 4.640 4.569 4.689 . 0 0 "[ . 1 . 2]" 2
318 1 22 PHE HB3 1 28 LEU HA . . 4.470 4.363 4.236 4.464 . 0 0 "[ . 1 . 2]" 2
319 1 13 HIS HB2 1 22 PHE HB3 . . 4.370 4.315 4.173 4.376 0.006 8 0 "[ . 1 . 2]" 2
320 1 13 HIS HB2 1 22 PHE HB2 . . 3.580 2.805 2.655 2.866 . 0 0 "[ . 1 . 2]" 2
321 1 13 HIS HB3 1 22 PHE HB3 . . 5.340 5.294 5.149 5.361 0.021 20 0 "[ . 1 . 2]" 2
322 1 13 HIS HB3 1 22 PHE HB2 . . 3.960 3.584 3.443 3.654 . 0 0 "[ . 1 . 2]" 2
323 1 22 PHE HB3 1 27 GLN HG3 . . 4.320 3.843 3.754 3.984 . 0 0 "[ . 1 . 2]" 2
324 1 22 PHE HB2 1 27 GLN HG3 . . 5.050 4.888 4.759 5.053 0.003 2 0 "[ . 1 . 2]" 2
325 1 22 PHE HB3 1 28 LEU HB3 . . 5.030 4.920 4.743 5.033 0.003 8 0 "[ . 1 . 2]" 2
326 1 22 PHE HB3 1 27 GLN HB2 . . 3.530 1.989 1.980 1.999 . 0 0 "[ . 1 . 2]" 2
327 1 22 PHE HB2 1 27 GLN HB2 . . 3.900 2.823 2.728 2.892 . 0 0 "[ . 1 . 2]" 2
328 1 22 PHE HB2 1 28 LEU HB2 . . 3.810 2.409 2.276 2.537 . 0 0 "[ . 1 . 2]" 2
329 1 22 PHE HB3 1 28 LEU HB2 . . 4.120 3.917 3.788 4.043 . 0 0 "[ . 1 . 2]" 2
330 1 22 PHE HB3 1 28 LEU MD1 . . 5.280 5.130 5.006 5.273 . 0 0 "[ . 1 . 2]" 2
331 1 29 ILE H 1 30 VAL HA . . 5.240 5.212 5.184 5.236 . 0 0 "[ . 1 . 2]" 2
332 1 30 VAL HA 1 31 HIS HA . . 4.750 4.695 4.684 4.705 . 0 0 "[ . 1 . 2]" 2
333 1 27 GLN HA 1 30 VAL HA . . 5.500 5.509 5.477 5.521 0.021 4 0 "[ . 1 . 2]" 2
334 1 30 VAL HA 1 33 ARG QD . . 3.490 2.371 2.096 2.523 . 0 0 "[ . 1 . 2]" 2
335 1 30 VAL HA 1 33 ARG HG3 . . 2.980 2.122 2.038 2.235 . 0 0 "[ . 1 . 2]" 2
336 1 30 VAL HA 1 33 ARG HG2 . . 4.150 3.476 3.332 3.578 . 0 0 "[ . 1 . 2]" 2
337 1 30 VAL HA 1 30 VAL MG1 . . 2.920 2.376 2.329 2.449 . 0 0 "[ . 1 . 2]" 2
338 1 24 PHE HB2 1 28 LEU H . . 5.370 5.112 5.047 5.272 . 0 0 "[ . 1 . 2]" 2
339 1 24 PHE HB2 1 27 GLN H . . 3.540 3.457 3.363 3.510 . 0 0 "[ . 1 . 2]" 2
340 1 24 PHE HB2 1 27 GLN HA . . 5.370 5.308 5.230 5.375 0.005 20 0 "[ . 1 . 2]" 2
341 1 24 PHE HB3 1 27 GLN HB2 . . 4.930 4.434 4.204 4.622 . 0 0 "[ . 1 . 2]" 2
342 1 24 PHE HB2 1 27 GLN HB2 . . 4.570 3.627 3.445 3.819 . 0 0 "[ . 1 . 2]" 2
343 1 13 HIS H 1 21 SER QB . . 4.790 4.133 3.780 4.295 . 0 0 "[ . 1 . 2]" 2
344 1 21 SER QB 1 22 PHE QD . . 4.820 4.526 4.338 4.688 . 0 0 "[ . 1 . 2]" 2
345 1 20 LYS HE3 1 22 PHE QE . . 5.410 4.532 3.602 5.339 . 0 0 "[ . 1 . 2]" 2
346 1 20 LYS HE2 1 22 PHE QE . . 5.410 4.248 3.174 5.289 . 0 0 "[ . 1 . 2]" 2
347 1 20 LYS HE3 1 22 PHE HZ . . 5.180 4.207 3.332 4.960 . 0 0 "[ . 1 . 2]" 2
348 1 20 LYS HE2 1 22 PHE HZ . . 5.180 3.927 2.901 4.928 . 0 0 "[ . 1 . 2]" 2
349 1 21 SER HA 1 21 SER QB . . 2.790 2.228 2.187 2.302 . 0 0 "[ . 1 . 2]" 2
350 1 11 LYS HA 1 21 SER QB . . 5.040 4.341 4.100 4.544 . 0 0 "[ . 1 . 2]" 2
351 1 21 SER QB 1 23 SER HA . . 5.500 5.532 5.509 5.555 0.055 19 0 "[ . 1 . 2]" 2
352 1 11 LYS HB3 1 21 SER QB . . 3.590 3.431 3.361 3.568 . 0 0 "[ . 1 . 2]" 2
353 1 20 LYS HB2 1 20 LYS HE3 . . 5.140 4.410 3.667 4.998 . 0 0 "[ . 1 . 2]" 2
354 1 11 LYS HG3 1 21 SER QB . . 4.710 2.230 1.992 2.556 . 0 0 "[ . 1 . 2]" 2
355 1 11 LYS QE 1 11 LYS HG2 . . 3.570 2.470 2.065 3.475 . 0 0 "[ . 1 . 2]" 2
356 1 26 SER HA 1 29 ILE MG . . 4.120 4.065 4.030 4.090 . 0 0 "[ . 1 . 2]" 2
357 1 29 ILE MG 1 32 GLN H . . 5.000 4.926 4.878 4.969 . 0 0 "[ . 1 . 2]" 2
358 1 29 ILE H 1 29 ILE MG . . 3.780 3.768 3.766 3.770 . 0 0 "[ . 1 . 2]" 2
359 1 29 ILE MG 1 31 HIS H . . 5.030 4.911 4.885 4.939 . 0 0 "[ . 1 . 2]" 2
360 1 29 ILE MG 1 33 ARG H . . 5.230 4.782 4.696 4.845 . 0 0 "[ . 1 . 2]" 2
361 1 29 ILE MG 1 30 VAL H . . 3.780 3.651 3.598 3.701 . 0 0 "[ . 1 . 2]" 2
362 1 29 ILE HA 1 29 ILE MG . . 2.890 2.277 2.222 2.299 . 0 0 "[ . 1 . 2]" 2
363 1 29 ILE MG 1 30 VAL HA . . 3.830 3.719 3.680 3.764 . 0 0 "[ . 1 . 2]" 2
364 1 29 ILE MG 1 33 ARG QD . . 4.800 3.331 3.083 4.131 . 0 0 "[ . 1 . 2]" 2
365 1 29 ILE MG 1 32 GLN HG3 . . 5.190 5.126 5.037 5.193 0.003 13 0 "[ . 1 . 2]" 2
366 1 29 ILE MG 1 32 GLN HB2 . . 4.670 3.959 3.886 4.037 . 0 0 "[ . 1 . 2]" 2
367 1 29 ILE HG13 1 29 ILE MG . . 3.100 2.606 2.583 2.619 . 0 0 "[ . 1 . 2]" 2
368 1 29 ILE HA 1 32 GLN H . . 3.760 3.589 3.545 3.637 . 0 0 "[ . 1 . 2]" 2
369 1 29 ILE HA 1 31 HIS H . . 4.480 4.064 4.042 4.087 . 0 0 "[ . 1 . 2]" 2
370 1 29 ILE HA 1 32 GLN HE22 . . 5.500 5.501 5.441 5.508 0.008 18 0 "[ . 1 . 2]" 2
371 1 29 ILE HA 1 33 ARG H . . 4.920 4.638 4.566 4.694 . 0 0 "[ . 1 . 2]" 2
372 1 28 LEU HA 1 29 ILE HA . . 4.820 4.761 4.748 4.774 . 0 0 "[ . 1 . 2]" 2
373 1 29 ILE HA 1 31 HIS HB3 . . 5.430 5.231 5.198 5.269 . 0 0 "[ . 1 . 2]" 2
374 1 29 ILE HA 1 32 GLN HG3 . . 3.670 3.559 3.452 3.671 0.001 13 0 "[ . 1 . 2]" 2
375 1 29 ILE HA 1 32 GLN HB2 . . 3.430 2.833 2.746 2.940 . 0 0 "[ . 1 . 2]" 2
376 1 28 LEU HB3 1 29 ILE HA . . 4.910 4.441 4.384 4.482 . 0 0 "[ . 1 . 2]" 2
377 1 29 ILE HA 1 32 GLN HB3 . . 5.310 4.458 4.366 4.576 . 0 0 "[ . 1 . 2]" 2
378 1 28 LEU HG 1 29 ILE HA . . 3.990 3.628 3.558 3.705 . 0 0 "[ . 1 . 2]" 2
379 1 29 ILE HA 1 29 ILE HG12 . . 3.150 2.878 2.866 2.889 . 0 0 "[ . 1 . 2]" 2
380 1 28 LEU MD2 1 29 ILE HA . . 5.430 4.899 4.815 4.977 . 0 0 "[ . 1 . 2]" 2
381 1 22 PHE H 1 28 LEU HB3 . . 5.500 5.341 5.163 5.488 . 0 0 "[ . 1 . 2]" 2
382 1 28 LEU HB2 1 29 ILE H . . 4.280 4.083 4.055 4.117 . 0 0 "[ . 1 . 2]" 2
383 1 27 GLN H 1 28 LEU HB3 . . 4.850 4.753 4.701 4.813 . 0 0 "[ . 1 . 2]" 2
384 1 22 PHE QE 1 28 LEU HB2 . . 4.520 3.781 3.614 3.862 . 0 0 "[ . 1 . 2]" 2
385 1 25 ASN HA 1 28 LEU HB2 . . 3.980 3.914 3.825 3.979 . 0 0 "[ . 1 . 2]" 2
386 1 13 HIS HB2 1 28 LEU HB3 . . 4.080 3.929 3.815 4.082 0.002 15 0 "[ . 1 . 2]" 2
387 1 13 HIS HB2 1 28 LEU HB2 . . 3.850 3.290 3.195 3.375 . 0 0 "[ . 1 . 2]" 2
388 1 13 HIS HB3 1 28 LEU HB3 . . 3.860 2.902 2.783 3.069 . 0 0 "[ . 1 . 2]" 2
389 1 22 PHE HB2 1 28 LEU HB3 . . 4.220 3.578 3.410 3.681 . 0 0 "[ . 1 . 2]" 2
390 1 28 LEU HB3 1 28 LEU MD2 . . 2.980 2.305 2.215 2.464 . 0 0 "[ . 1 . 2]" 2
391 1 28 LEU HB2 1 28 LEU MD1 . . 3.220 2.401 2.358 2.447 . 0 0 "[ . 1 . 2]" 2
392 1 31 HIS HE1 1 34 ILE MG . . 4.100 3.941 3.877 3.982 . 0 0 "[ . 1 . 2]" 2
393 1 34 ILE H 1 34 ILE MG . . 3.000 2.059 2.034 2.100 . 0 0 "[ . 1 . 2]" 2
394 1 33 ARG H 1 34 ILE MG . . 3.860 3.530 3.506 3.571 . 0 0 "[ . 1 . 2]" 2
395 1 34 ILE MG 1 35 HIS H . . 4.230 3.723 3.700 3.750 . 0 0 "[ . 1 . 2]" 2
396 1 31 HIS HA 1 34 ILE MG . . 3.750 2.626 2.599 2.648 . 0 0 "[ . 1 . 2]" 2
397 1 34 ILE HA 1 34 ILE MG . . 2.890 2.552 2.546 2.561 . 0 0 "[ . 1 . 2]" 2
398 1 32 GLN HA 1 34 ILE MG . . 4.500 4.358 4.335 4.385 . 0 0 "[ . 1 . 2]" 2
399 1 33 ARG QD 1 34 ILE MG . . 5.500 5.209 5.009 5.452 . 0 0 "[ . 1 . 2]" 2
400 1 31 HIS HB2 1 34 ILE MG . . 4.730 4.151 4.090 4.217 . 0 0 "[ . 1 . 2]" 2
401 1 33 ARG HB3 1 34 ILE MG . . 4.860 4.568 4.520 4.637 . 0 0 "[ . 1 . 2]" 2
402 1 33 ARG HG3 1 34 ILE MG . . 5.150 4.377 4.190 4.496 . 0 0 "[ . 1 . 2]" 2
403 1 33 ARG HB2 1 34 ILE MG . . 4.820 3.238 3.206 3.265 . 0 0 "[ . 1 . 2]" 2
404 1 23 SER HB3 1 24 PHE H . . 4.320 3.546 2.944 4.163 . 0 0 "[ . 1 . 2]" 2
405 1 23 SER HB3 1 24 PHE QE . . 4.750 3.641 2.964 4.750 . 0 0 "[ . 1 . 2]" 2
406 1 23 SER HB2 1 24 PHE QE . . 4.750 4.093 3.092 4.748 . 0 0 "[ . 1 . 2]" 2
407 1 23 SER HB3 1 24 PHE QD . . 4.030 2.677 2.002 3.872 . 0 0 "[ . 1 . 2]" 2
408 1 23 SER HB2 1 24 PHE QD . . 4.030 3.056 2.025 3.853 . 0 0 "[ . 1 . 2]" 2
409 1 12 PRO HA 1 14 GLU H . . 5.500 5.497 5.122 5.541 0.041 17 0 "[ . 1 . 2]" 2
410 1 12 PRO HA 1 13 HIS HD2 . . 5.500 5.441 5.380 5.511 0.011 20 0 "[ . 1 . 2]" 2
411 1 34 ILE HA 1 34 ILE HB . . 2.740 2.345 2.343 2.347 . 0 0 "[ . 1 . 2]" 2
412 1 34 ILE HA 1 34 ILE HG12 . . 3.830 3.780 3.770 3.788 . 0 0 "[ . 1 . 2]" 2
413 1 34 ILE HA 1 34 ILE HG13 . . 3.680 3.605 3.600 3.612 . 0 0 "[ . 1 . 2]" 2
414 1 13 HIS HE1 1 25 ASN HB3 . . 4.370 4.158 3.963 4.264 . 0 0 "[ . 1 . 2]" 2
415 1 13 HIS HD2 1 25 ASN HB2 . . 5.180 3.837 3.745 4.065 . 0 0 "[ . 1 . 2]" 2
416 1 25 ASN HB2 1 29 ILE MD . . 5.090 4.817 4.583 5.090 . 0 0 "[ . 1 . 2]" 2
417 1 39 ASN HB2 1 40 PRO QD . . 4.510 3.418 2.000 4.383 . 0 0 "[ . 1 . 2]" 2
418 1 39 ASN HB3 1 40 PRO QD . . 4.510 3.322 2.007 4.354 . 0 0 "[ . 1 . 2]" 2
419 1 35 HIS HB3 1 36 THR HA . . 4.980 4.324 4.204 4.520 . 0 0 "[ . 1 . 2]" 2
420 1 35 HIS HB2 1 36 THR HA . . 5.010 4.412 4.252 4.641 . 0 0 "[ . 1 . 2]" 2
421 1 36 THR HA 1 36 THR MG . . 3.310 3.200 3.187 3.207 . 0 0 "[ . 1 . 2]" 2
422 1 34 ILE H 1 34 ILE MD . . 3.810 3.766 3.749 3.779 . 0 0 "[ . 1 . 2]" 2
423 1 34 ILE MD 1 35 HIS H . . 4.200 3.974 3.902 4.060 . 0 0 "[ . 1 . 2]" 2
424 1 34 ILE MD 1 35 HIS HD2 . . 5.020 3.970 3.747 4.161 . 0 0 "[ . 1 . 2]" 2
425 1 11 LYS HA 1 23 SER HA . . 3.820 3.690 3.616 3.787 . 0 0 "[ . 1 . 2]" 2
426 1 34 ILE HA 1 34 ILE MD . . 4.380 4.158 4.156 4.161 . 0 0 "[ . 1 . 2]" 2
427 1 32 GLN HA 1 34 ILE MD . . 5.060 4.376 4.357 4.399 . 0 0 "[ . 1 . 2]" 2
428 1 31 HIS HB2 1 34 ILE MD . . 4.660 4.440 4.374 4.499 . 0 0 "[ . 1 . 2]" 2
429 1 22 PHE HB2 1 23 SER HA . . 5.470 5.224 5.113 5.315 . 0 0 "[ . 1 . 2]" 2
430 1 12 PRO HB3 1 23 SER HA . . 5.500 5.541 5.513 5.563 0.063 18 0 "[ . 1 . 2]" 2
431 1 34 ILE HB 1 34 ILE MD . . 2.910 2.366 2.360 2.374 . 0 0 "[ . 1 . 2]" 2
432 1 11 LYS HG3 1 23 SER HA . . 4.290 4.193 4.006 4.315 0.025 11 0 "[ . 1 . 2]" 2
433 1 31 HIS HE1 1 34 ILE HB . . 5.500 5.405 5.302 5.468 . 0 0 "[ . 1 . 2]" 2
434 1 34 ILE H 1 34 ILE HB . . 3.730 3.663 3.656 3.670 . 0 0 "[ . 1 . 2]" 2
435 1 34 ILE HB 1 35 HIS H . . 4.170 4.070 4.026 4.120 . 0 0 "[ . 1 . 2]" 2
436 1 31 HIS HA 1 34 ILE HB . . 5.500 5.508 5.480 5.524 0.024 5 0 "[ . 1 . 2]" 2
437 1 13 HIS H 1 22 PHE QD . . 5.500 5.435 5.245 5.508 0.008 4 0 "[ . 1 . 2]" 2
438 1 22 PHE QD 1 29 ILE H . . 5.500 5.441 5.392 5.496 . 0 0 "[ . 1 . 2]" 2
439 1 21 SER H 1 22 PHE QD . . 4.760 4.078 3.943 4.228 . 0 0 "[ . 1 . 2]" 2
440 1 22 PHE QD 1 24 PHE H . . 5.360 4.652 4.556 4.728 . 0 0 "[ . 1 . 2]" 2
441 1 21 SER HA 1 22 PHE QD . . 3.580 2.954 2.774 3.122 . 0 0 "[ . 1 . 2]" 2
442 1 24 PHE HB3 1 26 SER HA . . 5.500 5.464 5.394 5.499 . 0 0 "[ . 1 . 2]" 2
443 1 22 PHE QD 1 28 LEU HA . . 3.530 3.003 2.932 3.065 . 0 0 "[ . 1 . 2]" 2
444 1 13 HIS HB2 1 22 PHE QD . . 3.920 3.869 3.777 3.926 0.006 12 0 "[ . 1 . 2]" 2
445 1 15 CYS HB2 1 22 PHE QD . . 4.040 3.919 3.823 3.996 . 0 0 "[ . 1 . 2]" 2
446 1 22 PHE QD 1 27 GLN HB3 . . 2.910 2.097 1.998 2.182 . 0 0 "[ . 1 . 2]" 2
447 1 22 PHE QD 1 27 GLN HG3 . . 4.760 4.595 4.503 4.659 . 0 0 "[ . 1 . 2]" 2
448 1 22 PHE QD 1 28 LEU HB3 . . 4.030 3.936 3.817 4.026 . 0 0 "[ . 1 . 2]" 2
449 1 24 PHE QD 1 27 GLN HB2 . . 5.500 5.362 5.185 5.492 . 0 0 "[ . 1 . 2]" 2
450 1 22 PHE QD 1 27 GLN HB2 . . 3.250 2.874 2.813 3.020 . 0 0 "[ . 1 . 2]" 2
451 1 20 LYS QD 1 22 PHE QD . . 5.070 4.767 4.451 5.016 . 0 0 "[ . 1 . 2]" 2
452 1 22 PHE QD 1 28 LEU HB2 . . 3.430 2.232 2.097 2.330 . 0 0 "[ . 1 . 2]" 2
453 1 22 PHE QD 1 28 LEU MD1 . . 3.050 2.259 2.014 2.438 . 0 0 "[ . 1 . 2]" 2
454 1 26 SER HA 1 30 VAL MG2 . . 4.390 4.123 4.011 4.305 . 0 0 "[ . 1 . 2]" 2
455 1 29 ILE HB 1 31 HIS H . . 5.060 4.788 4.755 4.826 . 0 0 "[ . 1 . 2]" 2
456 1 29 ILE HB 1 30 VAL H . . 3.250 2.591 2.528 2.667 . 0 0 "[ . 1 . 2]" 2
457 1 26 SER HA 1 30 VAL H . . 4.610 4.494 4.408 4.605 . 0 0 "[ . 1 . 2]" 2
458 1 24 PHE HA 1 24 PHE QD . . 4.450 3.013 2.908 3.099 . 0 0 "[ . 1 . 2]" 2
459 1 29 ILE HB 1 30 VAL HA . . 4.800 4.121 4.108 4.146 . 0 0 "[ . 1 . 2]" 2
460 1 25 ASN HB3 1 26 SER HA . . 4.490 4.102 3.781 4.317 . 0 0 "[ . 1 . 2]" 2
461 1 28 LEU HB3 1 29 ILE HB . . 5.500 5.356 5.326 5.398 . 0 0 "[ . 1 . 2]" 2
462 1 26 SER HA 1 29 ILE HB . . 3.240 3.011 2.963 3.077 . 0 0 "[ . 1 . 2]" 2
463 1 26 SER HA 1 29 ILE HG13 . . 3.970 2.460 2.393 2.487 . 0 0 "[ . 1 . 2]" 2
464 1 26 SER HA 1 29 ILE HG12 . . 3.830 3.394 3.328 3.439 . 0 0 "[ . 1 . 2]" 2
465 1 29 ILE HB 1 30 VAL MG2 . . 3.990 3.204 3.082 3.293 . 0 0 "[ . 1 . 2]" 2
466 1 26 SER HA 1 29 ILE MD . . 4.120 4.104 4.038 4.129 0.009 17 0 "[ . 1 . 2]" 2
467 1 14 GLU HG3 1 21 SER HA . . 5.020 3.210 3.050 3.595 . 0 0 "[ . 1 . 2]" 2
468 1 14 GLU HG2 1 15 CYS H . . 4.480 2.626 2.306 2.840 . 0 0 "[ . 1 . 2]" 2
469 1 14 GLU HG2 1 21 SER HA . . 4.920 4.458 4.319 4.607 . 0 0 "[ . 1 . 2]" 2
470 1 14 GLU HG3 1 19 GLY HA3 . . 5.500 5.375 5.167 5.506 0.006 13 0 "[ . 1 . 2]" 2
471 1 14 GLU HG3 1 19 GLY HA2 . . 4.700 4.334 4.182 4.495 . 0 0 "[ . 1 . 2]" 2
472 1 14 GLU HG3 1 21 SER QB . . 4.250 2.968 2.697 3.475 . 0 0 "[ . 1 . 2]" 2
473 1 14 GLU HG2 1 21 SER QB . . 4.830 4.499 4.229 4.848 0.018 14 0 "[ . 1 . 2]" 2
474 1 29 ILE H 1 29 ILE MD . . 3.660 3.467 3.461 3.481 . 0 0 "[ . 1 . 2]" 2
475 1 29 ILE MD 1 30 VAL H . . 4.940 4.811 4.794 4.831 . 0 0 "[ . 1 . 2]" 2
476 1 25 ASN HD22 1 29 ILE MD . . 4.050 2.087 1.878 2.327 . 0 0 "[ . 1 . 2]" 2
477 1 29 ILE HA 1 29 ILE MD . . 3.250 2.474 2.421 2.507 . 0 0 "[ . 1 . 2]" 2
478 1 29 ILE MD 1 32 GLN HG3 . . 5.120 4.682 4.577 4.792 . 0 0 "[ . 1 . 2]" 2
479 1 25 ASN HB3 1 29 ILE MD . . 4.660 4.539 4.110 4.664 0.004 16 0 "[ . 1 . 2]" 2
480 1 28 LEU HB3 1 29 ILE MD . . 4.600 4.070 4.025 4.124 . 0 0 "[ . 1 . 2]" 2
481 1 29 ILE HB 1 29 ILE MD . . 3.310 3.174 3.170 3.179 . 0 0 "[ . 1 . 2]" 2
482 1 22 PHE QE 1 32 GLN H . . 5.500 4.988 4.891 5.078 . 0 0 "[ . 1 . 2]" 2
483 1 30 VAL H 1 31 HIS HA . . 5.220 5.157 5.120 5.186 . 0 0 "[ . 1 . 2]" 2
484 1 22 PHE QE 1 31 HIS HA . . 4.930 4.823 4.782 4.883 . 0 0 "[ . 1 . 2]" 2
485 1 22 PHE HZ 1 31 HIS HA . . 4.600 4.554 4.455 4.604 0.004 10 0 "[ . 1 . 2]" 2
486 1 17 GLU HA 1 17 GLU HG3 . . 3.840 3.758 3.466 3.819 . 0 0 "[ . 1 . 2]" 2
487 1 17 GLU HA 1 17 GLU HG2 . . 3.840 2.798 2.432 3.063 . 0 0 "[ . 1 . 2]" 2
488 1 15 CYS HB3 1 22 PHE QE . . 3.940 3.832 3.717 3.949 0.009 5 0 "[ . 1 . 2]" 2
489 1 17 GLU HG2 1 35 HIS HB3 . . 5.050 4.899 4.649 5.053 0.003 5 0 "[ . 1 . 2]" 2
490 1 17 GLU HG2 1 35 HIS HB2 . . 4.940 4.599 4.319 4.819 . 0 0 "[ . 1 . 2]" 2
491 1 17 GLU HG3 1 32 GLN HG2 . . 5.180 3.030 2.852 3.229 . 0 0 "[ . 1 . 2]" 2
492 1 17 GLU HG2 1 32 GLN HG2 . . 5.180 3.890 3.365 4.656 . 0 0 "[ . 1 . 2]" 2
493 1 31 HIS HA 1 31 HIS HB2 . . 2.780 2.328 2.321 2.342 . 0 0 "[ . 1 . 2]" 2
494 1 22 PHE QE 1 27 GLN HB3 . . 4.530 3.666 3.564 3.772 . 0 0 "[ . 1 . 2]" 2
495 1 22 PHE QE 1 27 GLN HB2 . . 4.980 4.726 4.656 4.878 . 0 0 "[ . 1 . 2]" 2
496 1 20 LYS QD 1 22 PHE QE . . 4.200 3.165 3.017 3.341 . 0 0 "[ . 1 . 2]" 2
497 1 20 LYS HB3 1 22 PHE QE . . 3.800 2.552 2.401 2.782 . 0 0 "[ . 1 . 2]" 2
498 1 30 VAL MG1 1 31 HIS HA . . 3.690 3.572 3.464 3.692 0.002 10 0 "[ . 1 . 2]" 2
499 1 31 HIS HA 1 34 ILE MD . . 3.890 3.843 3.767 3.900 0.010 9 0 "[ . 1 . 2]" 2
500 1 31 HIS H 1 32 GLN HA . . 5.480 5.104 5.073 5.128 . 0 0 "[ . 1 . 2]" 2
501 1 32 GLN HE22 1 32 GLN HG3 . . 3.820 3.506 3.493 3.543 . 0 0 "[ . 1 . 2]" 2
502 1 32 GLN HA 1 35 HIS H . . 3.970 3.300 3.258 3.343 . 0 0 "[ . 1 . 2]" 2
503 1 32 GLN HA 1 35 HIS HD2 . . 2.940 2.051 1.997 2.179 . 0 0 "[ . 1 . 2]" 2
504 1 32 GLN HG3 1 35 HIS HD2 . . 4.940 4.552 4.427 4.762 . 0 0 "[ . 1 . 2]" 2
505 1 32 GLN HA 1 35 HIS HB2 . . 4.120 3.605 3.545 3.658 . 0 0 "[ . 1 . 2]" 2
506 1 32 GLN HA 1 32 GLN HG2 . . 2.990 2.245 2.230 2.266 . 0 0 "[ . 1 . 2]" 2
507 1 28 LEU HG 1 32 GLN HG2 . . 4.390 4.093 3.808 4.249 . 0 0 "[ . 1 . 2]" 2
508 1 28 LEU HB2 1 32 GLN HG3 . . 5.290 5.020 4.906 5.086 . 0 0 "[ . 1 . 2]" 2
509 1 28 LEU MD1 1 32 GLN HA . . 4.320 4.244 4.021 4.323 0.003 4 0 "[ . 1 . 2]" 2
510 1 32 GLN HA 1 34 ILE HG12 . . 4.730 3.268 3.242 3.295 . 0 0 "[ . 1 . 2]" 2
511 1 32 GLN HA 1 34 ILE HG13 . . 5.160 4.643 4.608 4.680 . 0 0 "[ . 1 . 2]" 2
512 1 32 GLN HA 1 33 ARG HA . . 4.840 4.818 4.807 4.830 . 0 0 "[ . 1 . 2]" 2
513 1 32 GLN HB2 1 33 ARG HA . . 4.870 4.551 4.523 4.605 . 0 0 "[ . 1 . 2]" 2
514 1 32 GLN HB3 1 33 ARG HA . . 4.590 4.334 4.282 4.365 . 0 0 "[ . 1 . 2]" 2
515 1 33 ARG HA 1 33 ARG HB3 . . 2.820 2.351 2.316 2.376 . 0 0 "[ . 1 . 2]" 2
516 1 33 ARG HA 1 33 ARG HG2 . . 3.140 2.651 2.589 2.757 . 0 0 "[ . 1 . 2]" 2
517 1 17 GLU QB 1 18 CYS HA . . 4.840 4.099 4.059 4.202 . 0 0 "[ . 1 . 2]" 2
518 1 15 CYS HB3 1 16 ARG HA . . 5.500 5.054 4.916 5.146 . 0 0 "[ . 1 . 2]" 2
519 1 17 GLU HA 1 35 HIS HB3 . . 5.500 5.277 5.052 5.502 0.002 3 0 "[ . 1 . 2]" 2
520 1 17 GLU HA 1 17 GLU QB . . 2.720 2.366 2.311 2.392 . 0 0 "[ . 1 . 2]" 2
521 1 16 ARG HA 1 19 GLY H . . 4.560 4.524 4.387 4.570 0.010 7 0 "[ . 1 . 2]" 2
522 1 27 GLN HG2 1 28 LEU H . . 4.790 4.688 4.639 4.718 . 0 0 "[ . 1 . 2]" 2
523 1 27 GLN HA 1 27 GLN HG2 . . 3.370 2.514 2.453 2.585 . 0 0 "[ . 1 . 2]" 2
524 1 22 PHE HB3 1 27 GLN HG2 . . 4.610 4.493 4.406 4.541 . 0 0 "[ . 1 . 2]" 2
525 1 24 PHE HB3 1 27 GLN HG2 . . 4.720 4.544 4.361 4.723 0.003 19 0 "[ . 1 . 2]" 2
526 1 24 PHE HB3 1 27 GLN HG3 . . 4.390 2.909 2.754 3.128 . 0 0 "[ . 1 . 2]" 2
527 1 16 ARG HA 1 16 ARG QG . . 3.220 2.635 2.123 3.349 0.129 13 0 "[ . 1 . 2]" 2
528 1 27 GLN HG2 1 30 VAL MG2 . . 5.150 4.645 4.553 4.743 . 0 0 "[ . 1 . 2]" 2
529 1 27 GLN HG3 1 30 VAL MG2 . . 5.500 5.406 5.304 5.498 . 0 0 "[ . 1 . 2]" 2
530 1 20 LYS HA 1 21 SER H . . 2.620 2.540 2.472 2.632 0.012 20 0 "[ . 1 . 2]" 2
531 1 28 LEU HA 1 31 HIS H . . 3.600 3.441 3.395 3.472 . 0 0 "[ . 1 . 2]" 2
532 1 22 PHE QE 1 28 LEU HA . . 3.880 3.037 2.875 3.142 . 0 0 "[ . 1 . 2]" 2
533 1 22 PHE HZ 1 28 LEU HA . . 4.890 3.712 3.583 3.800 . 0 0 "[ . 1 . 2]" 2
534 1 20 LYS HA 1 21 SER HA . . 4.710 4.538 4.503 4.596 . 0 0 "[ . 1 . 2]" 2
535 1 28 LEU HA 1 31 HIS HA . . 5.420 5.414 5.376 5.433 0.013 17 0 "[ . 1 . 2]" 2
536 1 20 LYS HA 1 21 SER QB . . 4.420 4.235 4.040 4.532 0.112 15 0 "[ . 1 . 2]" 2
537 1 15 CYS HB3 1 20 LYS HA . . 4.820 4.437 4.350 4.502 . 0 0 "[ . 1 . 2]" 2
538 1 28 LEU HA 1 31 HIS HB3 . . 2.990 2.550 2.517 2.575 . 0 0 "[ . 1 . 2]" 2
539 1 28 LEU HA 1 31 HIS HB2 . . 3.960 3.896 3.812 3.954 . 0 0 "[ . 1 . 2]" 2
540 1 22 PHE HB2 1 28 LEU HA . . 4.100 3.683 3.581 3.746 . 0 0 "[ . 1 . 2]" 2
541 1 28 LEU HA 1 28 LEU HG . . 3.550 3.311 3.239 3.391 . 0 0 "[ . 1 . 2]" 2
542 1 20 LYS HA 1 20 LYS HG3 . . 3.430 3.092 2.864 3.197 . 0 0 "[ . 1 . 2]" 2
543 1 20 LYS HA 1 20 LYS HG2 . . 3.430 2.207 2.166 2.329 . 0 0 "[ . 1 . 2]" 2
544 1 28 LEU HA 1 28 LEU MD1 . . 2.840 2.128 2.065 2.220 . 0 0 "[ . 1 . 2]" 2
545 1 22 PHE HZ 1 31 HIS HE1 . . 4.630 4.323 4.171 4.481 . 0 0 "[ . 1 . 2]" 2
546 1 27 GLN HA 1 29 ILE H . . 4.850 4.020 3.983 4.069 . 0 0 "[ . 1 . 2]" 2
547 1 22 PHE QD 1 27 GLN HA . . 4.450 4.377 4.252 4.454 0.004 3 0 "[ . 1 . 2]" 2
548 1 22 PHE HZ 1 31 HIS HB3 . . 4.040 2.694 2.547 2.800 . 0 0 "[ . 1 . 2]" 2
549 1 22 PHE HZ 1 31 HIS HB2 . . 3.580 2.425 2.291 2.505 . 0 0 "[ . 1 . 2]" 2
550 1 20 LYS QD 1 22 PHE HZ . . 3.630 2.214 1.991 2.521 . 0 0 "[ . 1 . 2]" 2
551 1 20 LYS HB2 1 22 PHE HZ . . 4.100 3.645 3.430 3.947 . 0 0 "[ . 1 . 2]" 2
552 1 20 LYS HB3 1 22 PHE HZ . . 3.710 3.164 2.982 3.491 . 0 0 "[ . 1 . 2]" 2
553 1 22 PHE HZ 1 28 LEU MD1 . . 4.690 3.713 3.550 3.865 . 0 0 "[ . 1 . 2]" 2
554 1 27 GLN HA 1 30 VAL MG1 . . 4.490 4.391 4.338 4.439 . 0 0 "[ . 1 . 2]" 2
555 1 27 GLN HA 1 31 HIS H . . 4.530 4.464 4.378 4.535 0.005 9 0 "[ . 1 . 2]" 2
556 1 20 LYS HB2 1 22 PHE QE . . 4.010 2.775 2.613 3.070 . 0 0 "[ . 1 . 2]" 2
557 1 27 GLN HA 1 27 GLN HG3 . . 3.330 3.257 3.178 3.331 0.001 15 0 "[ . 1 . 2]" 2
558 1 27 GLN HA 1 30 VAL HB . . 3.220 2.993 2.936 3.059 . 0 0 "[ . 1 . 2]" 2
559 1 20 LYS HB2 1 20 LYS QD . . 3.620 2.627 2.531 2.715 . 0 0 "[ . 1 . 2]" 2
560 1 20 LYS HB3 1 20 LYS QD . . 3.120 2.280 2.098 2.407 . 0 0 "[ . 1 . 2]" 2
561 1 25 ASN HA 1 29 ILE H . . 4.390 4.256 4.182 4.314 . 0 0 "[ . 1 . 2]" 2
562 1 13 HIS HD2 1 25 ASN HA . . 4.240 3.383 3.296 3.570 . 0 0 "[ . 1 . 2]" 2
563 1 25 ASN HA 1 27 GLN H . . 4.800 4.001 3.880 4.133 . 0 0 "[ . 1 . 2]" 2
564 1 25 ASN HA 1 28 LEU HA . . 5.500 5.510 5.498 5.517 0.017 7 0 "[ . 1 . 2]" 2
565 1 13 HIS HB2 1 25 ASN HA . . 4.110 3.561 3.362 3.663 . 0 0 "[ . 1 . 2]" 2
566 1 13 HIS HB3 1 25 ASN HA . . 3.840 3.186 2.956 3.331 . 0 0 "[ . 1 . 2]" 2
567 1 25 ASN HA 1 28 LEU HB3 . . 3.150 2.892 2.850 2.930 . 0 0 "[ . 1 . 2]" 2
568 1 25 ASN HA 1 29 ILE HG13 . . 4.940 4.798 4.654 4.900 . 0 0 "[ . 1 . 2]" 2
569 1 25 ASN HA 1 29 ILE HG12 . . 4.560 3.889 3.759 3.976 . 0 0 "[ . 1 . 2]" 2
570 1 25 ASN HA 1 28 LEU MD2 . . 3.900 3.705 3.568 3.908 0.008 5 0 "[ . 1 . 2]" 2
571 1 25 ASN HA 1 29 ILE MD . . 5.020 4.490 4.366 4.576 . 0 0 "[ . 1 . 2]" 2
572 1 9 GLY HA2 1 10 GLU HA . . 5.500 4.471 4.352 4.732 . 0 0 "[ . 1 . 2]" 2
573 1 9 GLY HA3 1 10 GLU HA . . 5.500 4.554 4.329 4.988 . 0 0 "[ . 1 . 2]" 2
574 1 32 GLN H 1 35 HIS HD2 . . 5.460 4.675 4.603 4.776 . 0 0 "[ . 1 . 2]" 2
575 1 31 HIS HE1 1 35 HIS HD2 . . 5.500 5.133 4.841 5.373 . 0 0 "[ . 1 . 2]" 2
576 1 21 SER HA 1 22 PHE QE . . 4.560 4.091 3.878 4.283 . 0 0 "[ . 1 . 2]" 2
577 1 10 GLU HA 1 21 SER QB . . 5.070 4.292 3.734 5.087 0.017 15 0 "[ . 1 . 2]" 2
578 1 35 HIS HB2 1 35 HIS HD2 . . 3.330 2.700 2.693 2.711 . 0 0 "[ . 1 . 2]" 2
579 1 32 GLN HG2 1 35 HIS HD2 . . 3.710 2.966 2.835 3.201 . 0 0 "[ . 1 . 2]" 2
580 1 17 GLU HG3 1 35 HIS HD2 . . 4.840 2.492 2.155 3.270 . 0 0 "[ . 1 . 2]" 2
581 1 14 GLU QB 1 21 SER HA . . 4.260 4.116 4.057 4.236 . 0 0 "[ . 1 . 2]" 2
582 1 17 GLU QB 1 35 HIS HD2 . . 3.650 2.577 2.439 2.722 . 0 0 "[ . 1 . 2]" 2
583 1 10 GLU HA 1 11 LYS HG2 . . 4.600 3.608 3.089 4.407 . 0 0 "[ . 1 . 2]" 2
584 1 11 LYS HG3 1 21 SER HA . . 5.460 3.924 3.680 4.272 . 0 0 "[ . 1 . 2]" 2
585 1 20 LYS HB3 1 21 SER HA . . 5.500 4.045 3.958 4.109 . 0 0 "[ . 1 . 2]" 2
586 1 21 SER HA 1 28 LEU MD2 . . 5.500 4.350 4.109 4.604 . 0 0 "[ . 1 . 2]" 2
587 1 34 ILE MG 1 35 HIS HD2 . . 5.120 4.983 4.811 5.122 0.002 14 0 "[ . 1 . 2]" 2
588 1 14 GLU QB 1 19 GLY HA2 . . 5.350 4.828 4.540 5.127 . 0 0 "[ . 1 . 2]" 2
589 1 14 GLU QB 1 21 SER QB . . 4.020 4.018 3.972 4.047 0.027 20 0 "[ . 1 . 2]" 2
590 1 11 LYS HB2 1 11 LYS QE . . 4.820 4.258 3.702 4.473 . 0 0 "[ . 1 . 2]" 2
591 1 32 GLN HB3 1 35 HIS HD2 . . 4.390 3.907 3.742 4.115 . 0 0 "[ . 1 . 2]" 2
592 1 38 GLU HA 1 38 GLU HG2 . . 4.070 2.958 2.234 3.889 . 0 0 "[ . 1 . 2]" 2
593 1 38 GLU HA 1 38 GLU HG3 . . 4.070 3.091 2.521 3.839 . 0 0 "[ . 1 . 2]" 2
594 1 17 GLU HG2 1 35 HIS HD2 . . 4.840 4.003 3.673 4.377 . 0 0 "[ . 1 . 2]" 2
595 1 14 GLU QB 1 28 LEU MD1 . . 5.380 4.881 4.783 5.079 . 0 0 "[ . 1 . 2]" 2
596 1 34 ILE HG12 1 35 HIS HD2 . . 5.240 3.245 3.023 3.437 . 0 0 "[ . 1 . 2]" 2
597 1 34 ILE HG13 1 35 HIS HD2 . . 5.120 3.955 3.739 4.127 . 0 0 "[ . 1 . 2]" 2
598 1 18 CYS HB2 1 19 GLY H . . 4.430 3.644 3.566 3.765 . 0 0 "[ . 1 . 2]" 2
599 1 18 CYS HB3 1 19 GLY H . . 4.460 3.933 3.870 3.984 . 0 0 "[ . 1 . 2]" 2
600 1 18 CYS H 1 18 CYS HB2 . . 3.940 3.738 3.709 3.818 . 0 0 "[ . 1 . 2]" 2
601 1 18 CYS HA 1 18 CYS HB2 . . 2.850 2.484 2.448 2.510 . 0 0 "[ . 1 . 2]" 2
602 1 18 CYS HA 1 18 CYS HB3 . . 2.890 2.424 2.398 2.457 . 0 0 "[ . 1 . 2]" 2
603 1 18 CYS HB2 1 19 GLY HA3 . . 4.800 4.595 4.506 4.742 . 0 0 "[ . 1 . 2]" 2
604 1 17 GLU HA 1 18 CYS HB3 . . 5.480 5.366 5.249 5.420 . 0 0 "[ . 1 . 2]" 2
605 1 11 LYS HB2 1 12 PRO QD . . 3.810 3.325 3.206 3.414 . 0 0 "[ . 1 . 2]" 2
606 1 11 LYS HB3 1 11 LYS QE . . 4.820 3.844 2.361 4.163 . 0 0 "[ . 1 . 2]" 2
607 1 17 GLU QB 1 18 CYS HB2 . . 5.370 4.932 4.902 4.968 . 0 0 "[ . 1 . 2]" 2
608 1 18 CYS HB2 1 20 LYS HB2 . . 5.500 5.139 4.954 5.245 . 0 0 "[ . 1 . 2]" 2
609 1 17 GLU QB 1 18 CYS HB3 . . 4.070 3.657 3.578 3.705 . 0 0 "[ . 1 . 2]" 2
610 1 18 CYS H 1 31 HIS HD2 . . 5.500 5.388 5.256 5.478 . 0 0 "[ . 1 . 2]" 2
611 1 31 HIS H 1 31 HIS HD2 . . 4.970 4.643 4.589 4.709 . 0 0 "[ . 1 . 2]" 2
612 1 22 PHE QD 1 31 HIS HD2 . . 4.860 4.792 4.671 4.865 0.005 20 0 "[ . 1 . 2]" 2
613 1 22 PHE HZ 1 31 HIS HD2 . . 4.610 3.166 2.962 3.262 . 0 0 "[ . 1 . 2]" 2
614 1 15 CYS HA 1 31 HIS HD2 . . 4.820 4.547 4.461 4.681 . 0 0 "[ . 1 . 2]" 2
615 1 31 HIS HA 1 31 HIS HD2 . . 4.820 4.706 4.666 4.766 . 0 0 "[ . 1 . 2]" 2
616 1 31 HIS HD2 1 32 GLN HA . . 3.660 3.430 3.327 3.620 . 0 0 "[ . 1 . 2]" 2
617 1 15 CYS HB3 1 31 HIS HD2 . . 3.850 3.839 3.746 3.860 0.010 4 0 "[ . 1 . 2]" 2
618 1 31 HIS HB3 1 31 HIS HD2 . . 3.500 2.724 2.705 2.735 . 0 0 "[ . 1 . 2]" 2
619 1 15 CYS HB2 1 31 HIS HD2 . . 2.880 2.819 2.718 2.885 0.005 7 0 "[ . 1 . 2]" 2
620 1 31 HIS HD2 1 32 GLN HB2 . . 5.010 4.872 4.781 5.010 . 14 0 "[ . 1 . 2]" 2
621 1 31 HIS HD2 1 32 GLN HB3 . . 5.500 5.295 5.206 5.440 . 0 0 "[ . 1 . 2]" 2
622 1 20 LYS QD 1 31 HIS HD2 . . 4.830 3.906 3.710 4.125 . 0 0 "[ . 1 . 2]" 2
623 1 20 LYS HB2 1 31 HIS HD2 . . 5.070 3.586 3.403 3.738 . 0 0 "[ . 1 . 2]" 2
624 1 20 LYS HB3 1 31 HIS HD2 . . 5.050 4.433 4.220 4.587 . 0 0 "[ . 1 . 2]" 2
625 1 28 LEU MD1 1 31 HIS HD2 . . 3.150 2.375 2.251 2.499 . 0 0 "[ . 1 . 2]" 2
626 1 29 ILE H 1 30 VAL HB . . 4.890 4.772 4.738 4.809 . 0 0 "[ . 1 . 2]" 2
627 1 40 PRO QD 1 43 PRO QB . . 4.690 3.908 2.181 4.710 0.020 12 0 "[ . 1 . 2]" 2
628 1 30 VAL HB 1 32 GLN H . . 5.500 5.424 5.394 5.459 . 0 0 "[ . 1 . 2]" 2
629 1 30 VAL HB 1 31 HIS HB3 . . 4.980 4.796 4.741 4.868 . 0 0 "[ . 1 . 2]" 2
630 1 27 GLN HB3 1 30 VAL HB . . 5.270 4.664 4.603 4.700 . 0 0 "[ . 1 . 2]" 2
631 1 27 GLN HG2 1 30 VAL HB . . 5.500 5.166 5.068 5.249 . 0 0 "[ . 1 . 2]" 2
632 1 13 HIS HB3 1 22 PHE QD . . 4.700 3.970 3.816 4.060 . 0 0 "[ . 1 . 2]" 2
633 1 13 HIS HB2 1 23 SER HA . . 5.080 4.751 4.602 4.885 . 0 0 "[ . 1 . 2]" 2
634 1 12 PRO QD 1 13 HIS HB2 . . 4.720 4.361 4.276 4.394 . 0 0 "[ . 1 . 2]" 2
635 1 13 HIS HB3 1 28 LEU HG . . 4.460 4.246 4.054 4.437 . 0 0 "[ . 1 . 2]" 2
636 1 11 LYS HA 1 11 LYS HD3 . . 4.680 2.496 2.115 3.579 . 0 0 "[ . 1 . 2]" 2
637 1 13 HIS HB3 1 28 LEU HB2 . . 3.700 2.724 2.570 2.862 . 0 0 "[ . 1 . 2]" 2
638 1 13 HIS HB2 1 28 LEU MD2 . . 3.520 3.271 3.148 3.389 . 0 0 "[ . 1 . 2]" 2
639 1 33 ARG H 1 33 ARG HB3 . . 3.700 3.562 3.538 3.576 . 0 0 "[ . 1 . 2]" 2
640 1 33 ARG HB3 1 34 ILE HA . . 5.500 4.946 4.880 5.049 . 0 0 "[ . 1 . 2]" 2
641 1 30 VAL HA 1 33 ARG HB3 . . 4.910 4.742 4.676 4.791 . 0 0 "[ . 1 . 2]" 2
642 1 33 ARG HB3 1 33 ARG HG2 . . 2.830 2.603 2.543 2.646 . 0 0 "[ . 1 . 2]" 2
643 1 30 VAL MG1 1 33 ARG HB3 . . 5.320 5.121 4.993 5.248 . 0 0 "[ . 1 . 2]" 2
644 1 33 ARG HB3 1 34 ILE H . . 4.530 4.352 4.318 4.410 . 0 0 "[ . 1 . 2]" 2
645 1 30 VAL HA 1 33 ARG HB2 . . 4.620 3.955 3.861 4.104 . 0 0 "[ . 1 . 2]" 2
646 1 30 VAL MG1 1 33 ARG HB2 . . 4.860 4.051 3.848 4.218 . 0 0 "[ . 1 . 2]" 2
647 1 15 CYS HB2 1 17 GLU H . . 4.710 4.530 4.323 4.635 . 0 0 "[ . 1 . 2]" 2
648 1 15 CYS HB2 1 19 GLY H . . 4.130 3.924 3.825 3.985 . 0 0 "[ . 1 . 2]" 2
649 1 17 GLU QB 1 19 GLY H . . 4.530 4.093 4.031 4.311 . 0 0 "[ . 1 . 2]" 2
650 1 15 CYS HB2 1 20 LYS H . . 3.560 3.442 3.247 3.572 0.012 5 0 "[ . 1 . 2]" 2
651 1 15 CYS HB3 1 22 PHE QD . . 5.500 5.422 5.311 5.513 0.013 18 0 "[ . 1 . 2]" 2
652 1 15 CYS HB2 1 22 PHE QE . . 3.450 2.393 2.296 2.463 . 0 0 "[ . 1 . 2]" 2
653 1 15 CYS HB2 1 22 PHE HZ . . 4.950 4.423 4.291 4.533 . 0 0 "[ . 1 . 2]" 2
654 1 15 CYS HB3 1 18 CYS HA . . 5.500 5.367 5.224 5.470 . 0 0 "[ . 1 . 2]" 2
655 1 15 CYS HB3 1 21 SER HA . . 5.500 5.377 5.143 5.512 0.012 3 0 "[ . 1 . 2]" 2
656 1 15 CYS HB2 1 21 SER HA . . 5.020 4.586 4.188 4.853 . 0 0 "[ . 1 . 2]" 2
657 1 15 CYS HB3 1 19 GLY HA3 . . 4.740 4.683 4.587 4.745 0.005 2 0 "[ . 1 . 2]" 2
658 1 15 CYS HB2 1 19 GLY HA2 . . 5.480 5.240 5.140 5.330 . 0 0 "[ . 1 . 2]" 2
659 1 17 GLU QB 1 32 GLN HG2 . . 4.890 3.772 3.560 4.015 . 0 0 "[ . 1 . 2]" 2
660 1 14 GLU HG3 1 15 CYS HB2 . . 5.500 5.445 5.348 5.514 0.014 20 0 "[ . 1 . 2]" 2
661 1 14 GLU HG2 1 15 CYS HB3 . . 4.740 4.594 4.366 4.736 . 0 0 "[ . 1 . 2]" 2
662 1 14 GLU QB 1 15 CYS HB2 . . 5.500 5.510 5.485 5.535 0.035 4 0 "[ . 1 . 2]" 2
663 1 15 CYS HB3 1 20 LYS HB2 . . 3.990 2.528 2.423 2.620 . 0 0 "[ . 1 . 2]" 2
664 1 15 CYS HB2 1 20 LYS HB2 . . 4.190 2.603 2.370 2.749 . 0 0 "[ . 1 . 2]" 2
665 1 15 CYS HB2 1 20 LYS HB3 . . 4.410 3.575 3.404 3.752 . 0 0 "[ . 1 . 2]" 2
666 1 15 CYS HB3 1 20 LYS HB3 . . 4.300 4.012 3.926 4.112 . 0 0 "[ . 1 . 2]" 2
667 1 15 CYS HB3 1 28 LEU MD1 . . 3.680 3.436 3.295 3.600 . 0 0 "[ . 1 . 2]" 2
668 1 11 LYS HA 1 11 LYS HD2 . . 4.680 3.333 2.013 4.220 . 0 0 "[ . 1 . 2]" 2
669 1 20 LYS HA 1 20 LYS QD . . 4.070 3.933 3.669 4.047 . 0 0 "[ . 1 . 2]" 2
670 1 11 LYS HD2 1 21 SER QB . . 5.490 4.290 3.997 4.475 . 0 0 "[ . 1 . 2]" 2
671 1 11 LYS HD3 1 21 SER QB . . 5.490 4.310 3.945 4.580 . 0 0 "[ . 1 . 2]" 2
672 1 17 GLU QB 1 35 HIS HB3 . . 4.340 3.239 3.027 3.404 . 0 0 "[ . 1 . 2]" 2
673 1 24 PHE H 1 27 GLN HB3 . . 4.700 4.657 4.550 4.706 0.006 3 0 "[ . 1 . 2]" 2
674 1 27 GLN HB3 1 28 LEU H . . 3.850 3.226 3.172 3.263 . 0 0 "[ . 1 . 2]" 2
675 1 27 GLN H 1 27 GLN HB3 . . 3.730 3.593 3.589 3.595 . 0 0 "[ . 1 . 2]" 2
676 1 22 PHE HB3 1 27 GLN HB3 . . 3.570 2.816 2.674 2.897 . 0 0 "[ . 1 . 2]" 2
677 1 27 GLN HB3 1 30 VAL MG2 . . 5.170 5.002 4.903 5.059 . 0 0 "[ . 1 . 2]" 2
678 1 27 GLN HB2 1 28 LEU MD1 . . 5.500 5.429 5.333 5.494 . 0 0 "[ . 1 . 2]" 2
679 1 27 GLN HB2 1 30 VAL MG2 . . 5.500 5.502 5.458 5.513 0.013 17 0 "[ . 1 . 2]" 2
680 1 35 HIS H 1 35 HIS HB3 . . 3.650 3.601 3.589 3.612 . 0 0 "[ . 1 . 2]" 2
681 1 35 HIS HB3 1 35 HIS HD2 . . 3.780 3.754 3.722 3.785 0.005 17 0 "[ . 1 . 2]" 2
682 1 35 HIS HB3 1 36 THR HB . . 5.500 4.798 4.485 5.166 . 0 0 "[ . 1 . 2]" 2
683 1 17 GLU HG3 1 35 HIS HB3 . . 5.050 3.787 3.392 5.007 . 0 0 "[ . 1 . 2]" 2
684 1 17 GLU HG3 1 35 HIS HB2 . . 4.940 3.111 2.682 4.403 . 0 0 "[ . 1 . 2]" 2
685 1 17 GLU QB 1 35 HIS HB2 . . 4.790 3.561 3.413 3.689 . 0 0 "[ . 1 . 2]" 2
686 1 28 LEU HB2 1 31 HIS HB3 . . 5.130 4.868 4.830 4.891 . 0 0 "[ . 1 . 2]" 2
687 1 35 HIS HB3 1 36 THR MG . . 4.970 4.774 4.435 4.939 . 0 0 "[ . 1 . 2]" 2
688 1 31 HIS HB2 1 32 GLN H . . 4.160 3.954 3.927 3.979 . 0 0 "[ . 1 . 2]" 2
689 1 22 PHE QD 1 31 HIS HB3 . . 4.480 4.429 4.401 4.452 . 0 0 "[ . 1 . 2]" 2
690 1 22 PHE QD 1 31 HIS HB2 . . 4.760 4.595 4.530 4.686 . 0 0 "[ . 1 . 2]" 2
691 1 31 HIS HB2 1 31 HIS HD2 . . 3.850 3.807 3.768 3.827 . 0 0 "[ . 1 . 2]" 2
692 1 22 PHE QE 1 31 HIS HB3 . . 4.090 3.215 3.152 3.268 . 0 0 "[ . 1 . 2]" 2
693 1 22 PHE QE 1 31 HIS HB2 . . 3.840 2.780 2.712 2.854 . 0 0 "[ . 1 . 2]" 2
694 1 32 GLN HA 1 35 HIS HB3 . . 5.220 5.171 5.101 5.207 . 0 0 "[ . 1 . 2]" 2
695 1 31 HIS HB3 1 32 GLN HA . . 4.840 4.530 4.486 4.553 . 0 0 "[ . 1 . 2]" 2
696 1 32 GLN HG2 1 35 HIS HB2 . . 4.900 4.739 4.636 4.840 . 0 0 "[ . 1 . 2]" 2
697 1 30 VAL HB 1 31 HIS HB2 . . 4.670 4.619 4.589 4.652 . 0 0 "[ . 1 . 2]" 2
698 1 28 LEU MD1 1 31 HIS HB2 . . 4.520 4.409 4.339 4.475 . 0 0 "[ . 1 . 2]" 2
699 1 30 VAL MG1 1 31 HIS HB3 . . 5.500 5.091 4.996 5.179 . 0 0 "[ . 1 . 2]" 2
700 1 31 HIS HB3 1 34 ILE HG12 . . 5.500 5.517 5.504 5.524 0.024 5 0 "[ . 1 . 2]" 2
701 1 32 GLN H 1 32 GLN HB3 . . 3.600 3.569 3.556 3.575 . 0 0 "[ . 1 . 2]" 2
702 1 29 ILE H 1 29 ILE HG13 . . 3.190 3.191 3.177 3.195 0.005 8 0 "[ . 1 . 2]" 2
703 1 31 HIS H 1 32 GLN HB2 . . 5.020 4.381 4.344 4.418 . 0 0 "[ . 1 . 2]" 2
704 1 32 GLN HB3 1 32 GLN HE22 . . 4.700 4.487 4.469 4.508 . 0 0 "[ . 1 . 2]" 2
705 1 28 LEU H 1 29 ILE HG12 . . 4.840 4.117 4.044 4.166 . 0 0 "[ . 1 . 2]" 2
706 1 32 GLN HB3 1 32 GLN HE21 . . 4.700 4.349 4.335 4.369 . 0 0 "[ . 1 . 2]" 2
707 1 32 GLN HB2 1 35 HIS HD2 . . 5.020 4.844 4.745 5.019 . 0 0 "[ . 1 . 2]" 2
708 1 29 ILE HA 1 29 ILE HG13 . . 4.070 3.847 3.839 3.855 . 0 0 "[ . 1 . 2]" 2
709 1 28 LEU HB3 1 29 ILE HG12 . . 4.760 3.237 3.213 3.269 . 0 0 "[ . 1 . 2]" 2
710 1 28 LEU HB3 1 29 ILE HG13 . . 5.150 4.905 4.880 4.933 . 0 0 "[ . 1 . 2]" 2
711 1 28 LEU HG 1 32 GLN HB2 . . 4.880 4.260 4.132 4.379 . 0 0 "[ . 1 . 2]" 2
712 1 28 LEU HG 1 32 GLN HB3 . . 5.470 5.288 5.137 5.402 . 0 0 "[ . 1 . 2]" 2
713 1 32 GLN HB2 1 36 THR MG . . 4.890 4.759 4.443 4.894 0.004 4 0 "[ . 1 . 2]" 2
714 1 32 GLN HB3 1 36 THR MG . . 4.650 3.863 3.325 4.119 . 0 0 "[ . 1 . 2]" 2
715 1 28 LEU MD1 1 32 GLN HB3 . . 4.980 4.756 4.553 4.908 . 0 0 "[ . 1 . 2]" 2
716 1 28 LEU MD1 1 32 GLN HB2 . . 4.420 4.156 3.910 4.349 . 0 0 "[ . 1 . 2]" 2
717 1 29 ILE MG 1 32 GLN HB3 . . 5.470 5.072 4.945 5.189 . 0 0 "[ . 1 . 2]" 2
718 1 29 ILE HG12 1 29 ILE MG . . 3.200 3.154 3.150 3.157 . 0 0 "[ . 1 . 2]" 2
719 1 33 ARG HG3 1 34 ILE H . . 4.630 4.340 4.162 4.427 . 0 0 "[ . 1 . 2]" 2
720 1 33 ARG HG2 1 34 ILE H . . 4.860 4.719 4.653 4.769 . 0 0 "[ . 1 . 2]" 2
721 1 33 ARG HA 1 33 ARG HG3 . . 3.670 3.575 3.536 3.630 . 0 0 "[ . 1 . 2]" 2
722 1 29 ILE MG 1 33 ARG HG3 . . 5.190 3.985 3.896 4.094 . 0 0 "[ . 1 . 2]" 2
723 1 30 VAL MG1 1 33 ARG HG3 . . 5.380 3.518 3.424 3.627 . 0 0 "[ . 1 . 2]" 2
724 1 29 ILE MG 1 33 ARG HG2 . . 5.050 3.571 3.465 3.669 . 0 0 "[ . 1 . 2]" 2
725 1 28 LEU HG 1 29 ILE H . . 4.280 3.811 3.738 3.892 . 0 0 "[ . 1 . 2]" 2
726 1 22 PHE QD 1 28 LEU HG . . 5.010 4.548 4.418 4.694 . 0 0 "[ . 1 . 2]" 2
727 1 28 LEU HG 1 32 GLN HE21 . . 4.510 2.429 2.233 2.649 . 0 0 "[ . 1 . 2]" 2
728 1 28 LEU HG 1 31 HIS HB3 . . 4.990 4.861 4.720 4.960 . 0 0 "[ . 1 . 2]" 2
729 1 28 LEU HG 1 32 GLN HG3 . . 3.680 2.563 2.343 2.714 . 0 0 "[ . 1 . 2]" 2
730 1 40 PRO QD 1 43 PRO QG . . 4.000 3.265 2.548 3.995 . 0 0 "[ . 1 . 2]" 2
731 1 16 ARG QG 1 17 GLU H . . 4.660 4.248 3.281 4.604 . 0 0 "[ . 1 . 2]" 2
732 1 39 ASN HA 1 40 PRO QD . . 3.290 2.024 1.933 2.314 . 0 0 "[ . 1 . 2]" 2
733 1 12 PRO HG3 1 13 HIS H . . 5.020 4.680 4.581 4.693 . 0 0 "[ . 1 . 2]" 2
734 1 11 LYS HA 1 12 PRO HG3 . . 4.500 4.466 4.462 4.473 . 0 0 "[ . 1 . 2]" 2
735 1 11 LYS HA 1 12 PRO HG2 . . 4.790 4.503 4.498 4.514 . 0 0 "[ . 1 . 2]" 2
736 1 12 PRO HG3 1 23 SER HA . . 4.540 3.735 3.678 3.774 . 0 0 "[ . 1 . 2]" 2
737 1 12 PRO HG2 1 23 SER HA . . 4.800 3.232 3.127 3.315 . 0 0 "[ . 1 . 2]" 2
738 1 31 HIS HE1 1 34 ILE HG13 . . 5.290 4.466 4.326 4.591 . 0 0 "[ . 1 . 2]" 2
739 1 34 ILE HG13 1 35 HIS HE1 . . 5.500 4.272 4.116 4.448 . 0 0 "[ . 1 . 2]" 2
740 1 11 LYS HA 1 12 PRO QD . . 2.630 2.084 2.080 2.091 . 0 0 "[ . 1 . 2]" 2
741 1 12 PRO QD 1 23 SER HA . . 3.180 1.968 1.955 1.983 . 0 0 "[ . 1 . 2]" 2
742 1 31 HIS HA 1 34 ILE HG12 . . 4.980 4.302 4.284 4.321 . 0 0 "[ . 1 . 2]" 2
743 1 11 LYS HB3 1 12 PRO QD . . 3.810 1.976 1.963 1.986 . 0 0 "[ . 1 . 2]" 2
744 1 11 LYS HG2 1 12 PRO QD . . 4.810 4.344 4.118 4.476 . 0 0 "[ . 1 . 2]" 2
745 1 28 LEU MD2 1 29 ILE H . . 4.630 4.542 4.445 4.633 0.003 5 0 "[ . 1 . 2]" 2
746 1 20 LYS HG3 1 21 SER H . . 4.740 4.577 4.414 4.696 . 0 0 "[ . 1 . 2]" 2
747 1 22 PHE QD 1 28 LEU MD2 . . 4.330 3.263 3.111 3.370 . 0 0 "[ . 1 . 2]" 2
748 1 28 LEU MD2 1 32 GLN HE21 . . 4.090 2.445 2.265 2.576 . 0 0 "[ . 1 . 2]" 2
749 1 22 PHE QE 1 28 LEU MD2 . . 4.610 4.237 4.037 4.362 . 0 0 "[ . 1 . 2]" 2
750 1 13 HIS HA 1 28 LEU MD2 . . 4.010 3.076 2.934 3.302 . 0 0 "[ . 1 . 2]" 2
751 1 15 CYS HA 1 28 LEU MD2 . . 4.310 2.999 2.481 3.194 . 0 0 "[ . 1 . 2]" 2
752 1 22 PHE HB3 1 28 LEU MD2 . . 5.500 5.489 5.420 5.533 0.033 4 0 "[ . 1 . 2]" 2
753 1 28 LEU HA 1 28 LEU MD2 . . 4.040 3.891 3.840 3.918 . 0 0 "[ . 1 . 2]" 2
754 1 13 HIS HB3 1 28 LEU MD2 . . 3.110 1.921 1.811 2.071 . 0 0 "[ . 1 . 2]" 2
755 1 22 PHE HB2 1 28 LEU MD2 . . 4.720 4.036 3.963 4.094 . 0 0 "[ . 1 . 2]" 2
756 1 14 GLU QB 1 28 LEU MD2 . . 4.730 4.185 4.067 4.313 . 0 0 "[ . 1 . 2]" 2
757 1 28 LEU HB2 1 28 LEU MD2 . . 3.270 2.378 2.196 2.450 . 0 0 "[ . 1 . 2]" 2
758 1 20 LYS H 1 20 LYS HG2 . . 3.930 3.630 3.378 3.818 . 0 0 "[ . 1 . 2]" 2
759 1 20 LYS HG2 1 21 SER H . . 4.740 3.463 3.289 3.622 . 0 0 "[ . 1 . 2]" 2
760 1 20 LYS HG3 1 22 PHE QE . . 5.160 4.691 4.521 5.012 . 0 0 "[ . 1 . 2]" 2
761 1 20 LYS HG2 1 22 PHE QE . . 5.160 4.864 4.738 5.056 . 0 0 "[ . 1 . 2]" 2
762 1 20 LYS HG3 1 22 PHE HZ . . 5.280 4.630 4.370 5.048 . 0 0 "[ . 1 . 2]" 2
763 1 20 LYS HG2 1 22 PHE HZ . . 5.280 4.882 4.667 5.288 0.008 20 0 "[ . 1 . 2]" 2
764 1 13 HIS HD2 1 24 PHE HA . . 4.900 2.717 2.401 3.004 . 0 0 "[ . 1 . 2]" 2
765 1 13 HIS HD2 1 23 SER HA . . 4.380 4.204 4.040 4.319 . 0 0 "[ . 1 . 2]" 2
766 1 12 PRO QD 1 13 HIS HD2 . . 3.940 3.940 3.787 3.951 0.011 3 0 "[ . 1 . 2]" 2
767 1 13 HIS HB2 1 13 HIS HD2 . . 3.640 2.706 2.704 2.718 . 0 0 "[ . 1 . 2]" 2
768 1 12 PRO HB3 1 13 HIS HD2 . . 5.150 5.007 4.934 5.088 . 0 0 "[ . 1 . 2]" 2
769 1 12 PRO HG3 1 13 HIS HD2 . . 4.760 4.007 3.964 4.056 . 0 0 "[ . 1 . 2]" 2
770 1 12 PRO HG2 1 13 HIS HD2 . . 4.020 2.380 2.332 2.424 . 0 0 "[ . 1 . 2]" 2
771 1 12 PRO HB2 1 13 HIS HD2 . . 4.550 3.629 3.538 3.772 . 0 0 "[ . 1 . 2]" 2
772 1 13 HIS HD2 1 28 LEU MD2 . . 5.310 5.091 4.909 5.238 . 0 0 "[ . 1 . 2]" 2
773 1 11 LYS HA 1 11 LYS HG2 . . 3.740 3.127 2.837 3.321 . 0 0 "[ . 1 . 2]" 2
774 1 11 LYS HA 1 11 LYS HG3 . . 3.960 3.869 3.820 3.913 . 0 0 "[ . 1 . 2]" 2
775 1 11 LYS HG2 1 23 SER HA . . 5.210 4.946 4.667 5.096 . 0 0 "[ . 1 . 2]" 2
776 1 11 LYS HG3 1 12 PRO QD . . 4.750 4.272 4.178 4.364 . 0 0 "[ . 1 . 2]" 2
777 1 11 LYS HG2 1 21 SER QB . . 4.210 2.294 1.909 2.908 . 0 0 "[ . 1 . 2]" 2
778 1 30 VAL HB 1 31 HIS HA . . 4.790 4.423 4.391 4.472 . 0 0 "[ . 1 . 2]" 2
779 1 31 HIS HA 1 33 ARG HG3 . . 5.130 4.378 4.155 4.527 . 0 0 "[ . 1 . 2]" 2
780 1 42 GLY HA2 1 43 PRO QD . . 3.600 2.605 1.906 3.465 . 0 0 "[ . 1 . 2]" 2
781 1 33 ARG HB3 1 36 THR MG . . 4.760 3.860 3.513 4.323 . 0 0 "[ . 1 . 2]" 2
782 1 12 PRO HA 1 13 HIS HB2 . . 5.500 5.599 5.593 5.640 0.140 18 0 "[ . 1 . 2]" 2
783 1 13 HIS HD2 1 28 LEU HB2 . . 5.470 5.427 5.269 5.484 0.014 5 0 "[ . 1 . 2]" 2
784 1 13 HIS HD2 1 22 PHE H . . 5.500 5.258 5.124 5.319 . 0 0 "[ . 1 . 2]" 2
785 1 12 PRO HG2 1 13 HIS HE1 . . 5.500 5.516 5.508 5.526 0.026 20 0 "[ . 1 . 2]" 2
786 1 13 HIS HE1 1 28 LEU MD2 . . 5.500 5.116 4.872 5.467 . 0 0 "[ . 1 . 2]" 2
787 1 16 ARG HA 1 16 ARG QD . . 3.800 2.732 1.996 3.814 0.014 8 0 "[ . 1 . 2]" 2
788 1 20 LYS HB2 1 20 LYS HE2 . . 5.140 4.469 3.780 5.022 . 0 0 "[ . 1 . 2]" 2
789 1 11 LYS HB2 1 21 SER QB . . 3.590 1.987 1.968 2.091 . 0 0 "[ . 1 . 2]" 2
790 1 20 LYS HA 1 22 PHE QE . . 5.460 4.852 4.712 5.044 . 0 0 "[ . 1 . 2]" 2
791 1 26 SER QB 1 29 ILE MD . . 5.500 5.369 5.296 5.512 0.012 10 0 "[ . 1 . 2]" 2
792 1 26 SER QB 1 30 VAL MG2 . . 4.870 3.636 3.538 3.788 . 0 0 "[ . 1 . 2]" 2
793 1 26 SER QB 1 29 ILE HG12 . . 5.210 5.076 5.021 5.109 . 0 0 "[ . 1 . 2]" 2
794 1 26 SER QB 1 29 ILE HG13 . . 5.020 4.300 4.227 4.433 . 0 0 "[ . 1 . 2]" 2
795 1 25 ASN HB3 1 26 SER QB . . 4.780 4.268 4.114 4.677 . 0 0 "[ . 1 . 2]" 2
796 1 26 SER QB 1 29 ILE HB . . 4.410 4.402 4.363 4.422 0.012 5 0 "[ . 1 . 2]" 2
797 1 31 HIS HA 1 33 ARG H . . 4.080 3.771 3.740 3.802 . 0 0 "[ . 1 . 2]" 2
798 1 31 HIS HA 1 34 ILE H . . 4.190 3.991 3.973 4.007 . 0 0 "[ . 1 . 2]" 2
799 1 33 ARG HA 1 34 ILE HG12 . . 5.500 5.513 5.507 5.526 0.026 5 0 "[ . 1 . 2]" 2
800 1 33 ARG HA 1 34 ILE MG . . 4.930 4.540 4.524 4.556 . 0 0 "[ . 1 . 2]" 2
801 1 33 ARG HB2 1 33 ARG QD . . 3.260 2.756 2.611 3.089 . 0 0 "[ . 1 . 2]" 2
802 1 34 ILE HG12 1 34 ILE MG . . 3.150 2.413 2.397 2.438 . 0 0 "[ . 1 . 2]" 2
803 1 33 ARG HA 1 36 THR MG . . 3.840 2.289 2.016 2.539 . 0 0 "[ . 1 . 2]" 2
804 1 40 PRO QG 1 43 PRO QG . . 4.180 3.115 1.929 4.156 . 0 0 "[ . 1 . 2]" 2
805 1 9 GLY QA 1 10 GLU HA . . 4.770 4.011 3.936 4.201 . 0 0 "[ . 1 . 2]" 2
806 1 9 GLY QA 1 10 GLU QB . . 5.130 4.130 3.667 4.537 . 0 0 "[ . 1 . 2]" 2
807 1 10 GLU H 1 10 GLU QB . . 3.470 2.578 2.187 3.121 . 0 0 "[ . 1 . 2]" 2
808 1 10 GLU H 1 10 GLU QG . . 4.720 3.015 1.889 4.169 . 0 0 "[ . 1 . 2]" 2
809 1 10 GLU HA 1 10 GLU QG . . 3.740 2.806 2.164 3.488 . 0 0 "[ . 1 . 2]" 2
810 1 10 GLU HA 1 11 LYS QB . . 5.340 4.676 4.453 5.090 . 0 0 "[ . 1 . 2]" 2
811 1 10 GLU HA 1 11 LYS QD . . 5.340 4.637 3.505 5.354 0.014 14 0 "[ . 1 . 2]" 2
812 1 10 GLU QB 1 11 LYS H . . 4.110 3.047 2.058 4.021 . 0 0 "[ . 1 . 2]" 2
813 1 10 GLU QB 1 11 LYS HG2 . . 5.340 4.479 3.216 5.053 . 0 0 "[ . 1 . 2]" 2
814 1 10 GLU QB 1 21 SER QB . . 5.340 4.790 3.644 5.386 0.046 20 0 "[ . 1 . 2]" 2
815 1 11 LYS H 1 11 LYS QB . . 3.520 2.683 2.529 2.862 . 0 0 "[ . 1 . 2]" 2
816 1 11 LYS HA 1 11 LYS QD . . 3.850 2.351 2.002 3.118 . 0 0 "[ . 1 . 2]" 2
817 1 11 LYS QB 1 11 LYS HG3 . . 2.600 2.157 2.141 2.163 . 0 0 "[ . 1 . 2]" 2
818 1 11 LYS QB 1 12 PRO QD . . 3.200 1.962 1.950 1.972 . 0 0 "[ . 1 . 2]" 2
819 1 11 LYS QB 1 13 HIS H . . 3.900 2.406 2.350 2.433 . 0 0 "[ . 1 . 2]" 2
820 1 11 LYS QB 1 13 HIS HB2 . . 4.550 3.735 3.582 3.800 . 0 0 "[ . 1 . 2]" 2
821 1 11 LYS QB 1 14 GLU H . . 5.340 4.964 4.906 5.029 . 0 0 "[ . 1 . 2]" 2
822 1 11 LYS QB 1 21 SER HA . . 4.640 3.310 3.177 3.579 . 0 0 "[ . 1 . 2]" 2
823 1 11 LYS QB 1 21 SER QB . . 2.990 1.975 1.958 2.077 . 0 0 "[ . 1 . 2]" 2
824 1 11 LYS QB 1 22 PHE H . . 3.750 2.614 2.291 2.751 . 0 0 "[ . 1 . 2]" 2
825 1 11 LYS QB 1 22 PHE HB2 . . 4.860 4.522 4.267 4.635 . 0 0 "[ . 1 . 2]" 2
826 1 11 LYS QB 1 22 PHE HB3 . . 5.340 5.043 4.701 5.207 . 0 0 "[ . 1 . 2]" 2
827 1 11 LYS QB 1 23 SER HA . . 4.540 2.412 2.311 2.502 . 0 0 "[ . 1 . 2]" 2
828 1 11 LYS QD 1 12 PRO QD . . 3.740 2.946 2.727 3.153 . 0 0 "[ . 1 . 2]" 2
829 1 11 LYS QD 1 21 SER QB . . 4.720 3.823 3.638 4.024 . 0 0 "[ . 1 . 2]" 2
830 1 11 LYS QD 1 23 SER HA . . 4.770 2.614 2.002 3.459 . 0 0 "[ . 1 . 2]" 2
831 1 15 CYS H 1 32 GLN QE . . 5.340 5.300 5.217 5.342 0.002 9 0 "[ . 1 . 2]" 2
832 1 15 CYS HA 1 16 ARG QB . . 4.710 4.195 4.055 4.427 . 0 0 "[ . 1 . 2]" 2
833 1 15 CYS HA 1 32 GLN QE . . 3.880 2.851 2.709 2.964 . 0 0 "[ . 1 . 2]" 2
834 1 15 CYS HB3 1 20 LYS QG . . 5.180 4.050 3.857 4.243 . 0 0 "[ . 1 . 2]" 2
835 1 16 ARG H 1 16 ARG QB . . 3.480 2.276 2.155 2.491 . 0 0 "[ . 1 . 2]" 2
836 1 16 ARG QB 1 16 ARG QG . . 2.420 2.025 2.000 2.074 . 0 0 "[ . 1 . 2]" 2
837 1 16 ARG QB 1 16 ARG QD . . 3.260 2.248 2.009 2.678 . 0 0 "[ . 1 . 2]" 2
838 1 16 ARG QB 1 17 GLU H . . 4.210 3.230 3.081 3.729 . 0 0 "[ . 1 . 2]" 2
839 1 17 GLU H 1 17 GLU QG . . 3.100 2.295 2.123 2.715 . 0 0 "[ . 1 . 2]" 2
840 1 17 GLU QG 1 18 CYS H . . 3.950 3.905 3.815 3.954 0.004 14 0 "[ . 1 . 2]" 2
841 1 17 GLU QG 1 35 HIS HB2 . . 4.280 3.041 2.657 3.997 . 0 0 "[ . 1 . 2]" 2
842 1 17 GLU QG 1 35 HIS HB3 . . 4.280 3.634 3.318 4.282 0.002 12 0 "[ . 1 . 2]" 2
843 1 17 GLU QG 1 35 HIS HD2 . . 4.190 2.466 2.140 3.178 . 0 0 "[ . 1 . 2]" 2
844 1 20 LYS H 1 20 LYS QG . . 3.240 2.787 2.620 2.959 . 0 0 "[ . 1 . 2]" 2
845 1 20 LYS HA 1 20 LYS QG . . 2.860 2.160 2.127 2.232 . 0 0 "[ . 1 . 2]" 2
846 1 20 LYS HB2 1 20 LYS QE . . 4.350 3.876 3.535 4.264 . 0 0 "[ . 1 . 2]" 2
847 1 20 LYS HB3 1 20 LYS QE . . 4.860 3.002 2.135 4.009 . 0 0 "[ . 1 . 2]" 2
848 1 20 LYS QE 1 20 LYS QG . . 3.210 2.232 2.023 2.584 . 0 0 "[ . 1 . 2]" 2
849 1 20 LYS QG 1 21 SER H . . 3.970 3.365 3.203 3.501 . 0 0 "[ . 1 . 2]" 2
850 1 20 LYS QG 1 22 PHE QE . . 4.510 4.250 4.131 4.430 . 0 0 "[ . 1 . 2]" 2
851 1 20 LYS QG 1 22 PHE HZ . . 4.550 4.224 4.012 4.564 0.014 20 0 "[ . 1 . 2]" 2
852 1 20 LYS QE 1 22 PHE QE . . 4.690 3.834 3.038 4.699 0.009 11 0 "[ . 1 . 2]" 2
853 1 20 LYS QE 1 31 HIS HE1 . . 5.040 4.166 2.000 4.950 . 0 0 "[ . 1 . 2]" 2
854 1 23 SER QB 1 24 PHE H . . 3.480 3.048 2.817 3.499 0.019 2 0 "[ . 1 . 2]" 2
855 1 23 SER QB 1 24 PHE QD . . 3.480 2.214 1.994 2.614 . 0 0 "[ . 1 . 2]" 2
856 1 23 SER QB 1 24 PHE QE . . 3.930 3.191 2.917 3.481 . 0 0 "[ . 1 . 2]" 2
857 1 23 SER QB 1 27 GLN HE22 . . 5.010 4.877 4.463 5.022 0.012 19 0 "[ . 1 . 2]" 2
858 1 25 ASN HA 1 25 ASN QD . . 4.040 2.480 2.108 3.091 . 0 0 "[ . 1 . 2]" 2
859 1 25 ASN HB3 1 25 ASN QD . . 3.390 3.217 2.606 3.350 . 0 0 "[ . 1 . 2]" 2
860 1 25 ASN QD 1 29 ILE HG12 . . 4.450 3.056 1.875 3.448 . 0 0 "[ . 1 . 2]" 2
861 1 25 ASN QD 1 29 ILE HG13 . . 4.260 3.542 2.474 3.862 . 0 0 "[ . 1 . 2]" 2
862 1 25 ASN QD 1 29 ILE MD . . 3.510 2.059 1.797 2.302 . 0 0 "[ . 1 . 2]" 2
863 1 28 LEU HB2 1 32 GLN QE . . 5.340 4.860 4.697 4.984 . 0 0 "[ . 1 . 2]" 2
864 1 28 LEU HB3 1 32 GLN QE . . 5.340 4.607 4.417 4.785 . 0 0 "[ . 1 . 2]" 2
865 1 28 LEU HG 1 32 GLN QE . . 3.880 2.400 2.215 2.605 . 0 0 "[ . 1 . 2]" 2
866 1 28 LEU MD1 1 32 GLN QE . . 3.240 2.091 1.951 2.343 . 0 0 "[ . 1 . 2]" 2
867 1 28 LEU MD2 1 32 GLN QE . . 3.510 2.382 2.213 2.507 . 0 0 "[ . 1 . 2]" 2
868 1 29 ILE HA 1 32 GLN QE . . 4.730 4.574 4.511 4.663 . 0 0 "[ . 1 . 2]" 2
869 1 32 GLN HA 1 32 GLN QE . . 5.340 4.725 4.683 4.757 . 0 0 "[ . 1 . 2]" 2
870 1 32 GLN HB2 1 32 GLN QE . . 4.340 3.920 3.876 4.001 . 0 0 "[ . 1 . 2]" 2
871 1 32 GLN HB3 1 32 GLN QE . . 4.110 3.933 3.918 3.951 . 0 0 "[ . 1 . 2]" 2
872 1 32 GLN QE 1 32 GLN HG3 . . 3.330 2.266 2.235 2.350 . 0 0 "[ . 1 . 2]" 2
873 1 36 THR H 1 37 GLY QA . . 5.340 4.519 4.165 4.859 . 0 0 "[ . 1 . 2]" 2
874 1 37 GLY QA 1 38 GLU HA . . 5.340 4.035 3.962 4.300 . 0 0 "[ . 1 . 2]" 2
875 1 37 GLY QA 1 38 GLU QB . . 4.430 4.111 3.751 4.432 0.002 17 0 "[ . 1 . 2]" 2
876 1 38 GLU H 1 38 GLU QB . . 3.290 2.458 2.138 3.032 . 0 0 "[ . 1 . 2]" 2
877 1 38 GLU H 1 38 GLU QG . . 4.540 3.531 1.954 4.266 . 0 0 "[ . 1 . 2]" 2
878 1 39 ASN QB 1 40 PRO QD . . 3.870 2.802 1.949 3.823 . 0 0 "[ . 1 . 2]" 2
879 1 42 GLY QA 1 43 PRO QD . . 2.840 2.079 1.895 2.224 . 0 0 "[ . 1 . 2]" 2
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