NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508705 |
2yqp   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yqp
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 14
_Distance_constraint_stats_list.Viol_count 186
_Distance_constraint_stats_list.Viol_total 43.280
_Distance_constraint_stats_list.Viol_max 0.049
_Distance_constraint_stats_list.Viol_rms 0.0108
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0116
_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 22 CYS 0.453 0.028 2 0 "[ . 1 . 2]"
1 25 CYS 0.395 0.016 14 0 "[ . 1 . 2]"
1 41 CYS 1.404 0.049 8 0 "[ . 1 . 2]"
1 45 CYS 0.217 0.018 8 0 "[ . 1 . 2]"
2 1 ZN 1.859 0.049 8 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 22 CYS SG 2 1 ZN ZN . 2.250 2.350 2.239 2.222 2.253 0.028 2 0 "[ . 1 . 2]" 1
2 1 25 CYS SG 2 1 ZN ZN . 2.250 2.350 2.358 2.349 2.366 0.016 14 0 "[ . 1 . 2]" 1
3 1 41 CYS SG 2 1 ZN ZN . 2.250 2.350 2.221 2.211 2.228 0.039 13 0 "[ . 1 . 2]" 1
4 1 45 CYS SG 2 1 ZN ZN . 2.250 2.350 2.357 2.351 2.368 0.018 8 0 "[ . 1 . 2]" 1
5 1 22 CYS CB 2 1 ZN ZN . 3.220 3.520 3.522 3.513 3.532 0.012 19 0 "[ . 1 . 2]" 1
6 1 25 CYS CB 2 1 ZN ZN . 3.220 3.520 3.366 3.347 3.388 . 0 0 "[ . 1 . 2]" 1
7 1 41 CYS CB 2 1 ZN ZN . 3.220 3.520 3.554 3.547 3.569 0.049 8 0 "[ . 1 . 2]" 1
8 1 45 CYS CB 2 1 ZN ZN . 3.220 3.520 3.478 3.385 3.524 0.004 7 0 "[ . 1 . 2]" 1
9 1 22 CYS SG 1 25 CYS SG . 3.650 3.850 3.646 3.643 3.648 0.007 14 0 "[ . 1 . 2]" 1
10 1 22 CYS SG 1 41 CYS SG . 3.650 3.850 3.848 3.771 3.858 0.008 19 0 "[ . 1 . 2]" 1
11 1 22 CYS SG 1 45 CYS SG . 3.650 3.850 3.679 3.646 3.772 0.004 3 0 "[ . 1 . 2]" 1
12 1 25 CYS SG 1 41 CYS SG . 3.650 3.850 3.854 3.843 3.862 0.012 13 0 "[ . 1 . 2]" 1
13 1 25 CYS SG 1 45 CYS SG . 3.650 3.850 3.647 3.639 3.654 0.011 14 0 "[ . 1 . 2]" 1
14 1 41 CYS SG 1 45 CYS SG . 3.650 3.850 3.719 3.658 3.790 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 956
_Distance_constraint_stats_list.Viol_count 888
_Distance_constraint_stats_list.Viol_total 314.661
_Distance_constraint_stats_list.Viol_max 0.252
_Distance_constraint_stats_list.Viol_rms 0.0059
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0177
_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 8 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.111 0.047 19 0 "[ . 1 . 2]"
1 12 GLN 0.290 0.047 19 0 "[ . 1 . 2]"
1 13 ARG 0.075 0.020 17 0 "[ . 1 . 2]"
1 14 TRP 0.172 0.029 17 0 "[ . 1 . 2]"
1 15 ALA 0.245 0.092 17 0 "[ . 1 . 2]"
1 16 GLU 0.268 0.252 11 0 "[ . 1 . 2]"
1 17 PRO 0.252 0.252 11 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLU 0.113 0.026 17 0 "[ . 1 . 2]"
1 20 PRO 0.674 0.032 5 0 "[ . 1 . 2]"
1 21 ILE 0.676 0.027 7 0 "[ . 1 . 2]"
1 22 CYS 0.602 0.051 13 0 "[ . 1 . 2]"
1 23 VAL 1.815 0.065 6 0 "[ . 1 . 2]"
1 24 VAL 2.103 0.047 8 0 "[ . 1 . 2]"
1 25 CYS 0.015 0.008 17 0 "[ . 1 . 2]"
1 26 GLY 1.202 0.033 8 0 "[ . 1 . 2]"
1 27 ARG 0.193 0.029 17 0 "[ . 1 . 2]"
1 28 TYR 1.007 0.092 17 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLU 0.011 0.003 15 0 "[ . 1 . 2]"
1 31 TYR 0.616 0.061 18 0 "[ . 1 . 2]"
1 32 ILE 1.208 0.048 7 0 "[ . 1 . 2]"
1 33 CYS 0.158 0.022 14 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LYS 0.011 0.005 9 0 "[ . 1 . 2]"
1 36 THR 0.499 0.059 4 0 "[ . 1 . 2]"
1 37 ASP 0.701 0.048 7 0 "[ . 1 . 2]"
1 38 GLU 0.378 0.059 4 0 "[ . 1 . 2]"
1 39 ASP 0.789 0.065 6 0 "[ . 1 . 2]"
1 40 VAL 2.383 0.122 20 0 "[ . 1 . 2]"
1 41 CYS 0.596 0.033 8 0 "[ . 1 . 2]"
1 42 SER 0.076 0.019 2 0 "[ . 1 . 2]"
1 43 LEU 1.462 0.109 8 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 CYS 0.431 0.019 2 0 "[ . 1 . 2]"
1 46 LYS 2.000 0.109 8 0 "[ . 1 . 2]"
1 47 ALA 0.516 0.027 8 0 "[ . 1 . 2]"
1 48 LYS 1.219 0.060 19 0 "[ . 1 . 2]"
1 49 HIS 2.933 0.207 19 0 "[ . 1 . 2]"
1 50 LEU 1.007 0.032 19 0 "[ . 1 . 2]"
1 51 LEU 2.004 0.103 19 0 "[ . 1 . 2]"
1 52 GLN 1.156 0.207 19 0 "[ . 1 . 2]"
1 53 VAL 0.187 0.032 19 0 "[ . 1 . 2]"
1 54 LYS 0.063 0.010 9 0 "[ . 1 . 2]"
1 55 GLU 0.003 0.003 5 0 "[ . 1 . 2]"
1 56 LYS 0.423 0.139 10 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLU 0.102 0.055 13 0 "[ . 1 . 2]"
1 59 LYS 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 22 CYS HA 1 23 VAL H . . 2.890 2.206 2.200 2.213 . 0 0 "[ . 1 . 2]" 2
2 1 23 VAL H 1 40 VAL MG1 . . 3.760 2.927 2.800 3.053 . 0 0 "[ . 1 . 2]" 2
3 1 11 THR HA 1 12 GLN H . . 3.520 2.691 2.153 3.567 0.047 19 0 "[ . 1 . 2]" 2
4 1 12 GLN H 1 12 GLN HB2 . . 4.000 2.984 2.656 3.694 . 0 0 "[ . 1 . 2]" 2
5 1 24 VAL H 1 25 CYS H . . 3.130 1.871 1.855 1.881 . 0 0 "[ . 1 . 2]" 2
6 1 24 VAL H 1 24 VAL HB . . 3.940 3.764 3.756 3.822 . 0 0 "[ . 1 . 2]" 2
7 1 24 VAL H 1 24 VAL MG1 . . 3.830 2.927 2.648 3.043 . 0 0 "[ . 1 . 2]" 2
8 1 23 VAL MG2 1 24 VAL H . . 3.730 2.845 2.762 2.886 . 0 0 "[ . 1 . 2]" 2
9 1 24 VAL H 1 40 VAL MG1 . . 3.900 3.916 3.903 3.933 0.033 14 0 "[ . 1 . 2]" 2
10 1 12 GLN HA 1 13 ARG H . . 3.270 2.565 2.338 2.753 . 0 0 "[ . 1 . 2]" 2
11 1 11 THR HA 1 13 ARG H . . 4.840 4.266 3.622 4.846 0.006 17 0 "[ . 1 . 2]" 2
12 1 12 GLN HB2 1 13 ARG H . . 4.800 4.347 4.243 4.417 . 0 0 "[ . 1 . 2]" 2
13 1 12 GLN HB3 1 13 ARG H . . 5.240 4.394 4.188 4.501 . 0 0 "[ . 1 . 2]" 2
14 1 13 ARG H 1 13 ARG HG2 . . 4.120 2.144 1.965 2.278 . 0 0 "[ . 1 . 2]" 2
15 1 13 ARG H 1 13 ARG HG3 . . 4.120 3.280 2.644 3.723 . 0 0 "[ . 1 . 2]" 2
16 1 54 LYS H 1 55 GLU H . . 3.480 2.596 2.229 2.760 . 0 0 "[ . 1 . 2]" 2
17 1 53 VAL H 1 54 LYS H . . 3.450 2.378 2.291 2.567 . 0 0 "[ . 1 . 2]" 2
18 1 53 VAL HB 1 54 LYS H . . 4.180 3.006 2.933 3.051 . 0 0 "[ . 1 . 2]" 2
19 1 54 LYS H 1 54 LYS HB2 . . 2.990 2.431 2.302 2.580 . 0 0 "[ . 1 . 2]" 2
20 1 54 LYS H 1 54 LYS HG3 . . 4.830 3.416 2.720 3.989 . 0 0 "[ . 1 . 2]" 2
21 1 53 VAL MG1 1 54 LYS H . . 4.310 3.707 3.649 3.756 . 0 0 "[ . 1 . 2]" 2
22 1 42 SER HB2 1 43 LEU H . . 4.050 3.504 3.085 3.878 . 0 0 "[ . 1 . 2]" 2
23 1 43 LEU H 1 43 LEU HB2 . . 4.150 2.335 2.158 2.498 . 0 0 "[ . 1 . 2]" 2
24 1 43 LEU H 1 43 LEU HG . . 3.940 2.675 2.295 3.182 . 0 0 "[ . 1 . 2]" 2
25 1 43 LEU H 1 43 LEU HB3 . . 4.150 3.542 3.471 3.601 . 0 0 "[ . 1 . 2]" 2
26 1 25 CYS H 1 27 ARG H . . 4.910 4.809 4.747 4.870 . 0 0 "[ . 1 . 2]" 2
27 1 26 GLY H 1 27 ARG H . . 3.390 2.140 2.075 2.195 . 0 0 "[ . 1 . 2]" 2
28 1 22 CYS HB3 1 27 ARG H . . 3.180 3.075 3.025 3.170 . 0 0 "[ . 1 . 2]" 2
29 1 22 CYS HB2 1 27 ARG H . . 3.860 3.099 3.027 3.137 . 0 0 "[ . 1 . 2]" 2
30 1 27 ARG H 1 27 ARG HB2 . . 3.120 2.780 2.711 2.840 . 0 0 "[ . 1 . 2]" 2
31 1 21 ILE MG 1 27 ARG H . . 4.120 2.109 1.989 2.225 . 0 0 "[ . 1 . 2]" 2
32 1 14 TRP H 1 14 TRP HD1 . . 4.020 3.189 2.617 3.651 . 0 0 "[ . 1 . 2]" 2
33 1 13 ARG HA 1 14 TRP H . . 3.030 2.467 2.246 2.630 . 0 0 "[ . 1 . 2]" 2
34 1 14 TRP H 1 14 TRP HB3 . . 3.880 3.201 2.068 3.592 . 0 0 "[ . 1 . 2]" 2
35 1 14 TRP H 1 14 TRP HB2 . . 3.880 2.667 2.283 3.278 . 0 0 "[ . 1 . 2]" 2
36 1 43 LEU H 1 44 GLU H . . 3.930 2.577 2.340 2.768 . 0 0 "[ . 1 . 2]" 2
37 1 38 GLU HA 1 39 ASP H . . 2.890 2.678 2.639 2.720 . 0 0 "[ . 1 . 2]" 2
38 1 42 SER HB3 1 44 GLU H . . 4.180 2.828 2.552 2.982 . 0 0 "[ . 1 . 2]" 2
39 1 42 SER HB2 1 44 GLU H . . 3.660 3.147 2.973 3.417 . 0 0 "[ . 1 . 2]" 2
40 1 39 ASP H 1 39 ASP HB2 . . 3.240 2.813 2.745 2.862 . 0 0 "[ . 1 . 2]" 2
41 1 44 GLU H 1 44 GLU HB3 . . 3.360 2.455 2.412 2.484 . 0 0 "[ . 1 . 2]" 2
42 1 44 GLU H 1 44 GLU HB2 . . 3.680 2.600 2.569 2.638 . 0 0 "[ . 1 . 2]" 2
43 1 38 GLU HB3 1 39 ASP H . . 3.970 2.103 1.932 2.232 . 0 0 "[ . 1 . 2]" 2
44 1 43 LEU HB2 1 44 GLU H . . 4.100 2.881 2.718 3.013 . 0 0 "[ . 1 . 2]" 2
45 1 38 GLU HB2 1 39 ASP H . . 3.970 3.504 3.275 3.641 . 0 0 "[ . 1 . 2]" 2
46 1 43 LEU HB3 1 44 GLU H . . 4.100 3.633 3.399 3.815 . 0 0 "[ . 1 . 2]" 2
47 1 23 VAL MG2 1 39 ASP H . . 4.080 3.040 2.970 3.150 . 0 0 "[ . 1 . 2]" 2
48 1 18 GLY H 1 19 GLU H . . 3.710 2.024 1.898 2.203 . 0 0 "[ . 1 . 2]" 2
49 1 57 GLU H 1 58 GLU H . . 3.310 2.505 1.934 2.762 . 0 0 "[ . 1 . 2]" 2
50 1 45 CYS H 1 46 LYS H . . 3.130 2.586 2.542 2.637 . 0 0 "[ . 1 . 2]" 2
51 1 42 SER HB2 1 45 CYS H . . 4.140 2.829 2.658 3.094 . 0 0 "[ . 1 . 2]" 2
52 1 45 CYS HB2 1 46 LYS H . . 3.520 2.735 2.594 2.772 . 0 0 "[ . 1 . 2]" 2
53 1 19 GLU H 1 19 GLU HB2 . . 3.000 2.170 2.108 2.236 . 0 0 "[ . 1 . 2]" 2
54 1 46 LYS H 1 46 LYS HB3 . . 3.170 2.433 2.375 2.859 . 0 0 "[ . 1 . 2]" 2
55 1 19 GLU H 1 19 GLU HB3 . . 3.710 3.426 3.348 3.504 . 0 0 "[ . 1 . 2]" 2
56 1 56 LYS HB2 1 57 GLU H . . 4.670 3.420 2.602 4.088 . 0 0 "[ . 1 . 2]" 2
57 1 56 LYS HB3 1 57 GLU H . . 4.670 3.542 2.654 4.095 . 0 0 "[ . 1 . 2]" 2
58 1 46 LYS H 1 46 LYS HB2 . . 3.140 2.622 2.234 2.676 . 0 0 "[ . 1 . 2]" 2
59 1 46 LYS H 1 46 LYS HG2 . . 5.490 4.405 4.379 4.520 . 0 0 "[ . 1 . 2]" 2
60 1 40 VAL MG2 1 46 LYS H . . 3.730 3.161 2.957 3.228 . 0 0 "[ . 1 . 2]" 2
61 1 44 GLU H 1 45 CYS H . . 3.610 2.623 2.600 2.706 . 0 0 "[ . 1 . 2]" 2
62 1 42 SER HB3 1 45 CYS H . . 3.970 3.875 3.631 3.973 0.003 11 0 "[ . 1 . 2]" 2
63 1 45 CYS H 1 45 CYS HB2 . . 3.030 2.483 2.456 2.543 . 0 0 "[ . 1 . 2]" 2
64 1 44 GLU HB3 1 45 CYS H . . 3.490 2.752 2.630 2.827 . 0 0 "[ . 1 . 2]" 2
65 1 49 HIS H 1 50 LEU H . . 3.400 2.245 2.219 2.310 . 0 0 "[ . 1 . 2]" 2
66 1 49 HIS H 1 49 HIS HB3 . . 3.240 2.375 2.360 2.395 . 0 0 "[ . 1 . 2]" 2
67 1 49 HIS H 1 49 HIS HB2 . . 3.210 2.944 2.917 2.964 . 0 0 "[ . 1 . 2]" 2
68 1 55 GLU H 1 55 GLU HG2 . . 4.220 2.741 2.093 3.435 . 0 0 "[ . 1 . 2]" 2
69 1 54 LYS HB2 1 55 GLU H . . 3.690 2.877 2.356 3.089 . 0 0 "[ . 1 . 2]" 2
70 1 32 ILE H 1 32 ILE HB . . 3.470 2.736 2.673 2.806 . 0 0 "[ . 1 . 2]" 2
71 1 56 LYS H 1 58 GLU H . . 4.140 4.015 3.681 4.144 0.004 5 0 "[ . 1 . 2]" 2
72 1 55 GLU H 1 56 LYS H . . 3.350 2.635 2.289 2.765 . 0 0 "[ . 1 . 2]" 2
73 1 54 LYS HA 1 56 LYS H . . 3.970 3.832 3.611 3.980 0.010 12 0 "[ . 1 . 2]" 2
74 1 55 GLU H 1 55 GLU HG3 . . 4.220 3.030 2.292 3.814 . 0 0 "[ . 1 . 2]" 2
75 1 55 GLU HB2 1 56 LYS H . . 4.670 4.038 3.903 4.195 . 0 0 "[ . 1 . 2]" 2
76 1 55 GLU HB3 1 56 LYS H . . 4.670 3.998 3.888 4.244 . 0 0 "[ . 1 . 2]" 2
77 1 56 LYS H 1 56 LYS HB2 . . 3.740 2.805 2.079 3.678 . 0 0 "[ . 1 . 2]" 2
78 1 28 TYR H 1 28 TYR HB3 . . 3.390 2.895 2.861 2.960 . 0 0 "[ . 1 . 2]" 2
79 1 27 ARG HB2 1 28 TYR H . . 3.370 1.960 1.937 2.022 . 0 0 "[ . 1 . 2]" 2
80 1 46 LYS H 1 47 ALA H . . 3.290 3.042 3.019 3.105 . 0 0 "[ . 1 . 2]" 2
81 1 50 LEU H 1 51 LEU H . . 3.270 2.829 2.788 2.881 . 0 0 "[ . 1 . 2]" 2
82 1 52 GLN H 1 53 VAL H . . 3.050 2.244 2.225 2.266 . 0 0 "[ . 1 . 2]" 2
83 1 37 ASP H 1 38 GLU H . . 4.270 2.630 2.616 2.660 . 0 0 "[ . 1 . 2]" 2
84 1 37 ASP H 1 37 ASP HA . . 2.860 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 2
85 1 52 GLN HB2 1 53 VAL H . . 4.170 3.188 3.052 3.548 . 0 0 "[ . 1 . 2]" 2
86 1 46 LYS HB3 1 47 ALA H . . 3.250 2.183 1.956 2.234 . 0 0 "[ . 1 . 2]" 2
87 1 53 VAL H 1 53 VAL HB . . 3.140 2.470 2.436 2.484 . 0 0 "[ . 1 . 2]" 2
88 1 46 LYS HB2 1 47 ALA H . . 3.870 3.654 3.353 3.708 . 0 0 "[ . 1 . 2]" 2
89 1 50 LEU HB2 1 51 LEU H . . 3.300 2.324 2.308 2.419 . 0 0 "[ . 1 . 2]" 2
90 1 47 ALA H 1 47 ALA MB . . 2.720 2.139 2.123 2.233 . 0 0 "[ . 1 . 2]" 2
91 1 50 LEU HB3 1 51 LEU H . . 4.000 3.297 3.260 3.412 . 0 0 "[ . 1 . 2]" 2
92 1 51 LEU H 1 51 LEU MD2 . . 4.010 2.227 2.194 2.244 . 0 0 "[ . 1 . 2]" 2
93 1 53 VAL H 1 53 VAL MG1 . . 3.990 3.767 3.759 3.777 . 0 0 "[ . 1 . 2]" 2
94 1 53 VAL H 1 53 VAL MG2 . . 3.990 2.485 2.329 2.581 . 0 0 "[ . 1 . 2]" 2
95 1 51 LEU H 1 52 GLN H . . 3.250 2.618 2.513 2.633 . 0 0 "[ . 1 . 2]" 2
96 1 49 HIS HA 1 52 GLN H . . 4.030 3.464 3.270 3.510 . 0 0 "[ . 1 . 2]" 2
97 1 52 GLN H 1 52 GLN HG2 . . 3.530 3.432 3.390 3.576 0.046 19 0 "[ . 1 . 2]" 2
98 1 52 GLN H 1 52 GLN HG3 . . 3.960 3.821 3.779 3.867 . 0 0 "[ . 1 . 2]" 2
99 1 52 GLN H 1 52 GLN HB2 . . 3.570 2.209 2.205 2.227 . 0 0 "[ . 1 . 2]" 2
100 1 52 GLN H 1 52 GLN HB3 . . 3.570 3.475 3.464 3.480 . 0 0 "[ . 1 . 2]" 2
101 1 51 LEU HB3 1 52 GLN H . . 3.920 3.807 3.802 3.828 . 0 0 "[ . 1 . 2]" 2
102 1 21 ILE H 1 21 ILE HG13 . . 4.220 3.035 2.989 3.079 . 0 0 "[ . 1 . 2]" 2
103 1 48 LYS H 1 49 HIS H . . 3.300 2.647 2.601 2.674 . 0 0 "[ . 1 . 2]" 2
104 1 48 LYS H 1 50 LEU H . . 4.450 4.097 3.998 4.243 . 0 0 "[ . 1 . 2]" 2
105 1 47 ALA H 1 48 LYS H . . 3.280 2.641 2.620 2.674 . 0 0 "[ . 1 . 2]" 2
106 1 48 LYS H 1 48 LYS HG2 . . 4.480 3.950 3.848 4.042 . 0 0 "[ . 1 . 2]" 2
107 1 47 ALA MB 1 48 LYS H . . 3.210 2.838 2.755 2.867 . 0 0 "[ . 1 . 2]" 2
108 1 22 CYS HB3 1 25 CYS H . . 3.730 2.146 2.076 2.159 . 0 0 "[ . 1 . 2]" 2
109 1 22 CYS HB2 1 25 CYS H . . 3.970 3.703 3.679 3.732 . 0 0 "[ . 1 . 2]" 2
110 1 47 ALA HA 1 50 LEU H . . 4.070 3.091 3.057 3.171 . 0 0 "[ . 1 . 2]" 2
111 1 49 HIS HB3 1 50 LEU H . . 3.480 2.729 2.582 2.824 . 0 0 "[ . 1 . 2]" 2
112 1 49 HIS HB2 1 50 LEU H . . 4.170 4.022 3.937 4.077 . 0 0 "[ . 1 . 2]" 2
113 1 50 LEU H 1 50 LEU HB2 . . 3.040 2.434 2.396 2.487 . 0 0 "[ . 1 . 2]" 2
114 1 50 LEU H 1 50 LEU HB3 . . 3.620 3.579 3.574 3.584 . 0 0 "[ . 1 . 2]" 2
115 1 24 VAL MG1 1 25 CYS H . . 4.170 4.025 3.799 4.053 . 0 0 "[ . 1 . 2]" 2
116 1 50 LEU H 1 50 LEU MD2 . . 4.150 3.219 3.077 3.372 . 0 0 "[ . 1 . 2]" 2
117 1 31 TYR H 1 32 ILE H . . 4.680 4.491 4.381 4.525 . 0 0 "[ . 1 . 2]" 2
118 1 41 CYS H 1 41 CYS HB3 . . 3.950 2.842 2.818 2.906 . 0 0 "[ . 1 . 2]" 2
119 1 22 CYS HB2 1 41 CYS H . . 4.040 3.620 3.546 3.817 . 0 0 "[ . 1 . 2]" 2
120 1 31 TYR H 1 31 TYR HB3 . . 4.070 3.746 3.689 3.899 . 0 0 "[ . 1 . 2]" 2
121 1 31 TYR H 1 31 TYR HB2 . . 4.070 2.618 2.491 2.867 . 0 0 "[ . 1 . 2]" 2
122 1 28 TYR HA 1 29 GLY H . . 3.200 2.267 2.257 2.275 . 0 0 "[ . 1 . 2]" 2
123 1 28 TYR HB2 1 29 GLY H . . 3.960 3.900 3.876 3.921 . 0 0 "[ . 1 . 2]" 2
124 1 17 PRO HA 1 18 GLY H . . 3.490 2.759 2.400 3.392 . 0 0 "[ . 1 . 2]" 2
125 1 25 CYS H 1 26 GLY H . . 3.230 2.850 2.822 2.875 . 0 0 "[ . 1 . 2]" 2
126 1 22 CYS HB3 1 26 GLY H . . 3.380 1.870 1.863 1.881 . 0 0 "[ . 1 . 2]" 2
127 1 22 CYS HB2 1 26 GLY H . . 3.950 2.994 2.894 3.036 . 0 0 "[ . 1 . 2]" 2
128 1 41 CYS H 1 42 SER H . . 3.730 2.148 2.021 2.215 . 0 0 "[ . 1 . 2]" 2
129 1 42 SER H 1 45 CYS HB2 . . 3.420 2.672 2.599 2.766 . 0 0 "[ . 1 . 2]" 2
130 1 40 VAL HB 1 42 SER H . . 3.620 2.880 2.833 2.916 . 0 0 "[ . 1 . 2]" 2
131 1 31 TYR H 1 40 VAL MG2 . . 4.700 3.440 3.197 3.688 . 0 0 "[ . 1 . 2]" 2
132 1 30 GLU HB3 1 31 TYR H . . 4.690 3.172 2.980 3.985 . 0 0 "[ . 1 . 2]" 2
133 1 30 GLU HB2 1 31 TYR H . . 4.690 3.955 3.788 4.128 . 0 0 "[ . 1 . 2]" 2
134 1 21 ILE HG12 1 29 GLY H . . 5.440 4.213 3.997 4.361 . 0 0 "[ . 1 . 2]" 2
135 1 22 CYS H 1 29 GLY H . . 5.310 3.649 3.587 3.755 . 0 0 "[ . 1 . 2]" 2
136 1 21 ILE MG 1 28 TYR H . . 5.020 2.980 2.915 3.127 . 0 0 "[ . 1 . 2]" 2
137 1 15 ALA MB 1 28 TYR H . . 4.390 4.327 4.219 4.400 0.010 20 0 "[ . 1 . 2]" 2
138 1 28 TYR H 1 28 TYR QD . . 4.520 4.414 4.358 4.448 . 0 0 "[ . 1 . 2]" 2
139 1 28 TYR H 1 29 GLY H . . 4.520 4.323 4.289 4.345 . 0 0 "[ . 1 . 2]" 2
140 1 22 CYS H 1 27 ARG H . . 4.710 2.902 2.847 2.941 . 0 0 "[ . 1 . 2]" 2
141 1 27 ARG H 1 27 ARG HD3 . . 5.500 4.571 3.820 4.978 . 0 0 "[ . 1 . 2]" 2
142 1 27 ARG H 1 28 TYR HB3 . . 5.500 5.364 5.306 5.398 . 0 0 "[ . 1 . 2]" 2
143 1 27 ARG H 1 27 ARG HD2 . . 5.500 4.896 3.251 5.511 0.011 18 0 "[ . 1 . 2]" 2
144 1 24 VAL H 1 26 GLY H . . 4.330 4.228 4.181 4.278 . 0 0 "[ . 1 . 2]" 2
145 1 25 CYS H 1 45 CYS HB3 . . 4.740 4.710 4.642 4.748 0.008 17 0 "[ . 1 . 2]" 2
146 1 23 VAL HB 1 24 VAL H . . 4.540 4.201 4.180 4.220 . 0 0 "[ . 1 . 2]" 2
147 1 24 VAL H 1 45 CYS HB3 . . 4.410 4.229 4.150 4.290 . 0 0 "[ . 1 . 2]" 2
148 1 24 VAL H 1 40 VAL HA . . 4.940 4.598 4.563 4.629 . 0 0 "[ . 1 . 2]" 2
149 1 23 VAL H 1 39 ASP HB2 . . 5.030 4.365 4.275 4.469 . 0 0 "[ . 1 . 2]" 2
150 1 32 ILE MG 1 37 ASP H . . 4.590 4.273 4.081 4.426 . 0 0 "[ . 1 . 2]" 2
151 1 36 THR MG 1 37 ASP H . . 4.550 4.071 3.870 4.273 . 0 0 "[ . 1 . 2]" 2
152 1 33 CYS HB2 1 37 ASP H . . 4.730 3.893 3.723 4.138 . 0 0 "[ . 1 . 2]" 2
153 1 33 CYS HA 1 37 ASP H . . 5.180 4.837 4.626 5.036 . 0 0 "[ . 1 . 2]" 2
154 1 23 VAL MG1 1 39 ASP H . . 4.280 2.282 2.223 2.345 . 0 0 "[ . 1 . 2]" 2
155 1 31 TYR H 1 41 CYS H . . 5.480 5.037 4.848 5.255 . 0 0 "[ . 1 . 2]" 2
156 1 43 LEU H 1 43 LEU MD1 . . 5.020 3.836 3.767 3.935 . 0 0 "[ . 1 . 2]" 2
157 1 43 LEU H 1 43 LEU MD2 . . 5.040 3.441 2.910 3.972 . 0 0 "[ . 1 . 2]" 2
158 1 44 GLU H 1 44 GLU HG2 . . 4.440 4.416 4.380 4.436 . 0 0 "[ . 1 . 2]" 2
159 1 42 SER H 1 45 CYS H . . 4.410 3.659 3.562 3.742 . 0 0 "[ . 1 . 2]" 2
160 1 45 CYS H 1 48 LYS H . . 4.830 4.705 4.667 4.723 . 0 0 "[ . 1 . 2]" 2
161 1 40 VAL MG1 1 49 HIS H . . 4.870 4.209 4.099 4.298 . 0 0 "[ . 1 . 2]" 2
162 1 47 ALA MB 1 49 HIS H . . 5.050 4.435 4.413 4.498 . 0 0 "[ . 1 . 2]" 2
163 1 48 LYS HG3 1 49 HIS H . . 5.500 5.031 4.979 5.136 . 0 0 "[ . 1 . 2]" 2
164 1 46 LYS HA 1 49 HIS H . . 4.310 3.808 3.720 3.839 . 0 0 "[ . 1 . 2]" 2
165 1 47 ALA HA 1 49 HIS H . . 4.250 3.883 3.836 3.958 . 0 0 "[ . 1 . 2]" 2
166 1 47 ALA H 1 49 HIS H . . 4.480 4.225 4.204 4.277 . 0 0 "[ . 1 . 2]" 2
167 1 49 HIS H 1 51 LEU H . . 4.790 4.129 4.012 4.174 . 0 0 "[ . 1 . 2]" 2
168 1 51 LEU MD1 1 52 GLN H . . 4.750 4.570 4.546 4.621 . 0 0 "[ . 1 . 2]" 2
169 1 50 LEU HA 1 52 GLN H . . 4.820 3.830 3.813 3.909 . 0 0 "[ . 1 . 2]" 2
170 1 51 LEU H 1 53 VAL H . . 4.330 4.152 4.030 4.208 . 0 0 "[ . 1 . 2]" 2
171 1 53 VAL MG2 1 54 LYS H . . 4.310 4.007 3.974 4.033 . 0 0 "[ . 1 . 2]" 2
172 1 54 LYS H 1 54 LYS HD2 . . 5.500 4.362 2.339 4.999 . 0 0 "[ . 1 . 2]" 2
173 1 54 LYS H 1 54 LYS HD3 . . 5.500 4.120 2.247 4.943 . 0 0 "[ . 1 . 2]" 2
174 1 58 GLU H 1 58 GLU HB2 . . 3.910 2.656 2.086 3.647 . 0 0 "[ . 1 . 2]" 2
175 1 58 GLU H 1 58 GLU HB3 . . 3.910 3.373 2.405 3.947 0.037 13 0 "[ . 1 . 2]" 2
176 1 57 GLU H 1 57 GLU HG2 . . 5.150 3.998 2.082 4.944 . 0 0 "[ . 1 . 2]" 2
177 1 57 GLU H 1 57 GLU HG3 . . 5.150 3.889 2.674 4.587 . 0 0 "[ . 1 . 2]" 2
178 1 56 LYS H 1 56 LYS HG2 . . 4.250 3.361 2.124 4.298 0.048 10 0 "[ . 1 . 2]" 2
179 1 56 LYS H 1 56 LYS HG3 . . 4.250 3.333 2.334 4.389 0.139 10 0 "[ . 1 . 2]" 2
180 1 53 VAL HA 1 56 LYS H . . 4.420 3.644 3.180 4.017 . 0 0 "[ . 1 . 2]" 2
181 1 55 GLU HG2 1 56 LYS H . . 5.020 3.213 2.252 4.003 . 0 0 "[ . 1 . 2]" 2
182 1 31 TYR HA 1 32 ILE H . . 3.420 2.258 2.195 2.307 . 0 0 "[ . 1 . 2]" 2
183 1 52 GLN H 1 53 VAL HB . . 4.620 4.469 4.406 4.499 . 0 0 "[ . 1 . 2]" 2
184 1 49 HIS HD2 1 50 LEU H . . 4.860 3.788 3.621 3.927 . 0 0 "[ . 1 . 2]" 2
185 1 49 HIS H 1 50 LEU HB2 . . 4.480 4.325 4.301 4.353 . 0 0 "[ . 1 . 2]" 2
186 1 24 VAL MG2 1 49 HIS H . . 5.120 4.923 4.861 5.129 0.009 13 0 "[ . 1 . 2]" 2
187 1 48 LYS H 1 51 LEU MD1 . . 5.450 5.293 5.240 5.366 . 0 0 "[ . 1 . 2]" 2
188 1 11 THR HB 1 12 GLN H . . 4.540 3.515 1.933 4.485 . 0 0 "[ . 1 . 2]" 2
189 1 43 LEU HA 1 47 ALA H . . 4.890 4.685 4.336 4.771 . 0 0 "[ . 1 . 2]" 2
190 1 42 SER H 1 46 LYS H . . 4.800 4.622 4.387 4.703 . 0 0 "[ . 1 . 2]" 2
191 1 46 LYS H 1 48 LYS H . . 4.630 3.839 3.819 3.888 . 0 0 "[ . 1 . 2]" 2
192 1 44 GLU H 1 46 LYS H . . 4.590 4.135 4.098 4.214 . 0 0 "[ . 1 . 2]" 2
193 1 42 SER HB3 1 43 LEU H . . 4.530 2.412 1.949 2.881 . 0 0 "[ . 1 . 2]" 2
194 1 21 ILE MG 1 29 GLY H . . 4.970 4.110 4.062 4.155 . 0 0 "[ . 1 . 2]" 2
195 1 23 VAL HA 1 26 GLY H . . 5.500 5.490 5.447 5.521 0.021 20 0 "[ . 1 . 2]" 2
196 1 22 CYS HB3 1 23 VAL H . . 5.130 3.679 3.615 3.697 . 0 0 "[ . 1 . 2]" 2
197 1 15 ALA MB 1 19 GLU H . . 4.360 4.033 3.797 4.270 . 0 0 "[ . 1 . 2]" 2
198 1 45 CYS H 1 46 LYS HB2 . . 5.430 5.042 4.638 5.120 . 0 0 "[ . 1 . 2]" 2
199 1 32 ILE H 1 32 ILE HG13 . . 4.790 3.717 3.650 3.779 . 0 0 "[ . 1 . 2]" 2
200 1 28 TYR H 1 28 TYR HB2 . . 3.560 3.480 3.440 3.559 . 0 0 "[ . 1 . 2]" 2
201 1 25 CYS H 1 26 GLY HA2 . . 5.050 4.588 4.527 4.641 . 0 0 "[ . 1 . 2]" 2
202 1 49 HIS HA 1 52 GLN HE21 . . 5.140 4.423 4.241 5.347 0.207 19 0 "[ . 1 . 2]" 2
203 1 42 SER HG 1 44 GLU H . . 5.370 5.043 4.754 5.283 . 0 0 "[ . 1 . 2]" 2
204 1 43 LEU HA 1 46 LYS H . . 3.900 3.366 3.325 3.402 . 0 0 "[ . 1 . 2]" 2
205 1 41 CYS HB3 1 42 SER H . . 4.870 3.915 3.900 3.934 . 0 0 "[ . 1 . 2]" 2
206 1 41 CYS HB2 1 42 SER H . . 5.020 3.795 3.732 3.852 . 0 0 "[ . 1 . 2]" 2
207 1 42 SER H 1 42 SER HB3 . . 4.050 3.783 3.684 3.815 . 0 0 "[ . 1 . 2]" 2
208 1 42 SER H 1 42 SER HG . . 4.160 3.566 2.807 4.164 0.004 11 0 "[ . 1 . 2]" 2
209 1 40 VAL HA 1 42 SER H . . 4.840 4.303 4.279 4.336 . 0 0 "[ . 1 . 2]" 2
210 1 45 CYS H 1 47 ALA MB . . 5.500 5.507 5.437 5.519 0.019 4 0 "[ . 1 . 2]" 2
211 1 46 LYS HB2 1 48 LYS H . . 5.500 5.471 5.162 5.517 0.017 19 0 "[ . 1 . 2]" 2
212 1 48 LYS H 1 50 LEU HB2 . . 5.500 5.083 4.998 5.179 . 0 0 "[ . 1 . 2]" 2
213 1 48 LYS H 1 51 LEU HB3 . . 5.500 5.520 5.510 5.557 0.057 19 0 "[ . 1 . 2]" 2
214 1 48 LYS HG2 1 49 HIS H . . 5.500 5.077 5.046 5.104 . 0 0 "[ . 1 . 2]" 2
215 1 49 HIS HA 1 53 VAL H . . 4.590 4.373 4.194 4.572 . 0 0 "[ . 1 . 2]" 2
216 1 56 LYS H 1 57 GLU H . . 3.360 2.588 2.128 2.824 . 0 0 "[ . 1 . 2]" 2
217 1 58 GLU H 1 58 GLU HG2 . . 5.330 4.312 2.516 5.117 . 0 0 "[ . 1 . 2]" 2
218 1 58 GLU H 1 58 GLU HG3 . . 5.330 4.033 2.846 4.634 . 0 0 "[ . 1 . 2]" 2
219 1 56 LYS H 1 56 LYS HB3 . . 3.740 3.002 2.313 3.603 . 0 0 "[ . 1 . 2]" 2
220 1 56 LYS H 1 56 LYS HD2 . . 5.500 4.421 2.345 5.489 . 0 0 "[ . 1 . 2]" 2
221 1 56 LYS H 1 56 LYS HD3 . . 5.500 4.436 2.304 5.500 0.000 2 0 "[ . 1 . 2]" 2
222 1 21 ILE MG 1 26 GLY HA3 . . 3.930 3.752 3.719 3.772 . 0 0 "[ . 1 . 2]" 2
223 1 21 ILE MG 1 26 GLY HA2 . . 3.380 2.382 2.338 2.402 . 0 0 "[ . 1 . 2]" 2
224 1 32 ILE HB 1 32 ILE MD . . 3.360 2.120 2.016 2.257 . 0 0 "[ . 1 . 2]" 2
225 1 13 ARG HB2 1 13 ARG HD2 . . 3.980 2.857 2.321 3.682 . 0 0 "[ . 1 . 2]" 2
226 1 13 ARG HB3 1 13 ARG HD2 . . 3.980 2.964 2.063 3.713 . 0 0 "[ . 1 . 2]" 2
227 1 13 ARG HB2 1 13 ARG HD3 . . 3.980 3.110 2.369 3.962 . 0 0 "[ . 1 . 2]" 2
228 1 13 ARG HB3 1 13 ARG HD3 . . 3.980 2.713 2.178 3.529 . 0 0 "[ . 1 . 2]" 2
229 1 49 HIS HE1 1 53 VAL MG2 . . 5.100 2.903 2.707 3.291 . 0 0 "[ . 1 . 2]" 2
230 1 51 LEU H 1 51 LEU HB3 . . 3.280 2.115 2.110 2.140 . 0 0 "[ . 1 . 2]" 2
231 1 51 LEU H 1 51 LEU HB2 . . 3.540 3.437 3.432 3.455 . 0 0 "[ . 1 . 2]" 2
232 1 21 ILE H 1 21 ILE HB . . 3.710 2.758 2.724 2.795 . 0 0 "[ . 1 . 2]" 2
233 1 21 ILE HB 1 21 ILE MD . . 3.340 2.213 2.146 2.357 . 0 0 "[ . 1 . 2]" 2
234 1 19 GLU HA 1 19 GLU HG2 . . 3.750 3.096 2.207 3.634 . 0 0 "[ . 1 . 2]" 2
235 1 28 TYR HA 1 28 TYR QD . . 3.680 2.504 2.369 2.753 . 0 0 "[ . 1 . 2]" 2
236 1 15 ALA MB 1 28 TYR QD . . 3.730 1.978 1.924 2.083 . 0 0 "[ . 1 . 2]" 2
237 1 52 GLN HA 1 52 GLN HG3 . . 3.610 3.552 3.512 3.566 . 0 0 "[ . 1 . 2]" 2
238 1 45 CYS HA 1 48 LYS H . . 3.760 3.455 3.406 3.487 . 0 0 "[ . 1 . 2]" 2
239 1 12 GLN HG2 1 41 CYS HB3 . . 4.870 3.732 2.729 4.522 . 0 0 "[ . 1 . 2]" 2
240 1 12 GLN HG3 1 41 CYS HB3 . . 4.870 3.832 3.238 4.885 0.015 13 0 "[ . 1 . 2]" 2
241 1 22 CYS HB3 1 25 CYS HB2 . . 2.840 1.969 1.942 1.984 . 0 0 "[ . 1 . 2]" 2
242 1 24 VAL HA 1 24 VAL MG2 . . 3.200 3.199 3.184 3.201 0.001 8 0 "[ . 1 . 2]" 2
243 1 46 LYS HB3 1 46 LYS HD3 . . 3.820 2.746 2.710 2.886 . 0 0 "[ . 1 . 2]" 2
244 1 53 VAL HA 1 53 VAL MG1 . . 3.220 2.347 2.326 2.403 . 0 0 "[ . 1 . 2]" 2
245 1 40 VAL MG2 1 46 LYS HB3 . . 3.640 3.618 3.484 3.650 0.010 17 0 "[ . 1 . 2]" 2
246 1 24 VAL HB 1 25 CYS H . . 4.130 3.840 3.741 4.056 . 0 0 "[ . 1 . 2]" 2
247 1 24 VAL HB 1 45 CYS HB3 . . 4.600 4.586 4.503 4.615 0.015 13 0 "[ . 1 . 2]" 2
248 1 23 VAL H 1 23 VAL HB . . 3.740 3.642 3.630 3.650 . 0 0 "[ . 1 . 2]" 2
249 1 20 PRO HA 1 21 ILE H . . 2.830 2.239 2.199 2.277 . 0 0 "[ . 1 . 2]" 2
250 1 22 CYS H 1 22 CYS HB3 . . 3.780 3.004 2.985 3.046 . 0 0 "[ . 1 . 2]" 2
251 1 22 CYS HB2 1 25 CYS HB2 . . 3.700 2.673 2.622 2.695 . 0 0 "[ . 1 . 2]" 2
252 1 40 VAL HB 1 45 CYS HB2 . . 3.520 2.005 1.991 2.099 . 0 0 "[ . 1 . 2]" 2
253 1 24 VAL MG1 1 45 CYS HB3 . . 3.890 3.386 2.930 3.503 . 0 0 "[ . 1 . 2]" 2
254 1 12 GLN HB3 1 41 CYS HB3 . . 4.100 4.098 4.038 4.115 0.015 13 0 "[ . 1 . 2]" 2
255 1 11 THR HA 1 11 THR MG . . 2.870 2.143 1.963 2.460 . 0 0 "[ . 1 . 2]" 2
256 1 36 THR HA 1 36 THR MG . . 3.160 2.225 1.998 2.496 . 0 0 "[ . 1 . 2]" 2
257 1 44 GLU HA 1 44 GLU HG3 . . 3.290 2.576 2.511 2.643 . 0 0 "[ . 1 . 2]" 2
258 1 46 LYS HA 1 46 LYS HG2 . . 3.900 3.490 2.766 3.612 . 0 0 "[ . 1 . 2]" 2
259 1 46 LYS HA 1 46 LYS HG3 . . 3.900 2.590 2.530 2.611 . 0 0 "[ . 1 . 2]" 2
260 1 44 GLU HA 1 47 ALA MB . . 3.680 3.556 3.525 3.596 . 0 0 "[ . 1 . 2]" 2
261 1 40 VAL MG1 1 46 LYS HA . . 3.210 2.089 1.972 2.182 . 0 0 "[ . 1 . 2]" 2
262 1 48 LYS HA 1 48 LYS HG2 . . 3.910 2.226 2.144 2.280 . 0 0 "[ . 1 . 2]" 2
263 1 48 LYS HA 1 48 LYS HG3 . . 3.910 2.892 2.810 3.009 . 0 0 "[ . 1 . 2]" 2
264 1 21 ILE HA 1 22 CYS H . . 3.400 2.235 2.229 2.246 . 0 0 "[ . 1 . 2]" 2
265 1 21 ILE HA 1 29 GLY H . . 3.710 2.249 2.204 2.295 . 0 0 "[ . 1 . 2]" 2
266 1 50 LEU H 1 50 LEU HG . . 3.540 2.367 2.290 2.433 . 0 0 "[ . 1 . 2]" 2
267 1 21 ILE HA 1 21 ILE HG12 . . 3.680 2.762 2.655 2.842 . 0 0 "[ . 1 . 2]" 2
268 1 51 LEU H 1 51 LEU HG . . 4.190 4.084 4.069 4.093 . 0 0 "[ . 1 . 2]" 2
269 1 51 LEU HB2 1 51 LEU HG . . 2.880 2.483 2.482 2.490 . 0 0 "[ . 1 . 2]" 2
270 1 40 VAL HA 1 41 CYS H . . 3.410 2.396 2.377 2.455 . 0 0 "[ . 1 . 2]" 2
271 1 22 CYS HA 1 40 VAL HA . . 3.360 2.221 2.173 2.271 . 0 0 "[ . 1 . 2]" 2
272 1 40 VAL HA 1 40 VAL MG1 . . 3.170 2.176 2.107 2.224 . 0 0 "[ . 1 . 2]" 2
273 1 35 LYS HA 1 35 LYS HD2 . . 5.350 4.265 3.693 4.646 . 0 0 "[ . 1 . 2]" 2
274 1 35 LYS HA 1 35 LYS HD3 . . 5.350 4.576 4.096 4.799 . 0 0 "[ . 1 . 2]" 2
275 1 43 LEU HA 1 46 LYS HB3 . . 3.290 3.086 2.996 3.301 0.011 14 0 "[ . 1 . 2]" 2
276 1 43 LEU HA 1 46 LYS HB2 . . 3.540 3.353 2.841 3.443 . 0 0 "[ . 1 . 2]" 2
277 1 50 LEU HB2 1 50 LEU MD2 . . 3.340 3.186 3.177 3.193 . 0 0 "[ . 1 . 2]" 2
278 1 50 LEU HB3 1 50 LEU MD2 . . 3.180 2.377 2.348 2.440 . 0 0 "[ . 1 . 2]" 2
279 1 43 LEU HA 1 43 LEU MD2 . . 3.140 2.059 1.971 2.113 . 0 0 "[ . 1 . 2]" 2
280 1 50 LEU HA 1 53 VAL HB . . 3.700 2.999 2.925 3.135 . 0 0 "[ . 1 . 2]" 2
281 1 50 LEU HA 1 50 LEU MD1 . . 3.860 3.814 3.804 3.821 . 0 0 "[ . 1 . 2]" 2
282 1 14 TRP HA 1 27 ARG HA . . 3.760 3.282 2.364 3.755 . 0 0 "[ . 1 . 2]" 2
283 1 57 GLU HA 1 57 GLU HG2 . . 3.830 2.731 2.133 3.771 . 0 0 "[ . 1 . 2]" 2
284 1 57 GLU HA 1 57 GLU HG3 . . 3.830 2.960 2.065 3.768 . 0 0 "[ . 1 . 2]" 2
285 1 51 LEU HA 1 51 LEU MD2 . . 3.570 3.501 3.497 3.512 . 0 0 "[ . 1 . 2]" 2
286 1 51 LEU HA 1 51 LEU MD1 . . 4.130 4.028 4.012 4.047 . 0 0 "[ . 1 . 2]" 2
287 1 48 LYS HA 1 51 LEU MD1 . . 3.480 3.389 3.355 3.468 . 0 0 "[ . 1 . 2]" 2
288 1 51 LEU HB3 1 51 LEU MD1 . . 3.110 2.438 2.333 2.477 . 0 0 "[ . 1 . 2]" 2
289 1 51 LEU HB2 1 51 LEU MD1 . . 2.990 2.205 2.174 2.321 . 0 0 "[ . 1 . 2]" 2
290 1 58 GLU HA 1 58 GLU HG2 . . 3.940 2.806 2.069 3.561 . 0 0 "[ . 1 . 2]" 2
291 1 58 GLU HA 1 58 GLU HG3 . . 3.940 2.733 2.073 3.709 . 0 0 "[ . 1 . 2]" 2
292 1 32 ILE MG 1 37 ASP HA . . 3.290 2.596 2.450 2.706 . 0 0 "[ . 1 . 2]" 2
293 1 51 LEU MD2 1 52 GLN HA . . 3.340 3.152 3.125 3.172 . 0 0 "[ . 1 . 2]" 2
294 1 48 LYS HA 1 51 LEU MD2 . . 3.770 1.945 1.937 2.006 . 0 0 "[ . 1 . 2]" 2
295 1 51 LEU HB3 1 51 LEU MD2 . . 3.380 2.365 2.337 2.375 . 0 0 "[ . 1 . 2]" 2
296 1 51 LEU HB2 1 51 LEU MD2 . . 3.310 3.182 3.178 3.183 . 0 0 "[ . 1 . 2]" 2
297 1 50 LEU HB3 1 50 LEU MD1 . . 3.240 2.290 2.196 2.381 . 0 0 "[ . 1 . 2]" 2
298 1 47 ALA HA 1 50 LEU HB2 . . 3.580 2.197 2.123 2.298 . 0 0 "[ . 1 . 2]" 2
299 1 47 ALA HA 1 50 LEU MD2 . . 4.450 4.463 4.456 4.477 0.027 8 0 "[ . 1 . 2]" 2
300 1 24 VAL MG1 1 49 HIS H . . 5.120 3.729 3.680 3.755 . 0 0 "[ . 1 . 2]" 2
301 1 24 VAL HA 1 24 VAL MG1 . . 3.200 2.352 2.251 2.404 . 0 0 "[ . 1 . 2]" 2
302 1 40 VAL MG1 1 45 CYS HB2 . . 3.910 2.534 2.359 2.593 . 0 0 "[ . 1 . 2]" 2
303 1 40 VAL MG1 1 45 CYS HB3 . . 4.130 2.278 2.142 2.363 . 0 0 "[ . 1 . 2]" 2
304 1 19 GLU HA 1 19 GLU HG3 . . 3.750 2.791 2.106 3.615 . 0 0 "[ . 1 . 2]" 2
305 1 24 VAL MG1 1 48 LYS HB2 . . 4.270 3.409 3.258 3.649 . 0 0 "[ . 1 . 2]" 2
306 1 24 VAL MG1 1 48 LYS HB3 . . 4.270 2.683 2.557 2.824 . 0 0 "[ . 1 . 2]" 2
307 1 24 VAL MG2 1 25 CYS H . . 4.170 2.186 2.035 2.268 . 0 0 "[ . 1 . 2]" 2
308 1 24 VAL MG2 1 45 CYS HA . . 3.890 2.545 2.453 2.634 . 0 0 "[ . 1 . 2]" 2
309 1 24 VAL MG2 1 48 LYS HB2 . . 4.270 3.647 3.576 3.726 . 0 0 "[ . 1 . 2]" 2
310 1 24 VAL MG2 1 48 LYS HB3 . . 4.270 3.648 3.483 3.798 . 0 0 "[ . 1 . 2]" 2
311 1 24 VAL MG2 1 48 LYS HD3 . . 4.680 3.256 2.991 3.375 . 0 0 "[ . 1 . 2]" 2
312 1 16 GLU HA 1 16 GLU HG2 . . 3.740 2.940 2.060 3.573 . 0 0 "[ . 1 . 2]" 2
313 1 16 GLU HA 1 16 GLU HG3 . . 3.740 2.497 2.057 3.603 . 0 0 "[ . 1 . 2]" 2
314 1 35 LYS HB2 1 36 THR MG . . 4.460 3.492 2.773 4.315 . 0 0 "[ . 1 . 2]" 2
315 1 35 LYS HB3 1 36 THR MG . . 4.460 3.391 2.580 4.094 . 0 0 "[ . 1 . 2]" 2
316 1 36 THR MG 1 53 VAL MG1 . . 3.370 2.606 2.367 2.861 . 0 0 "[ . 1 . 2]" 2
317 1 36 THR MG 1 53 VAL MG2 . . 3.370 2.559 1.960 3.022 . 0 0 "[ . 1 . 2]" 2
318 1 20 PRO HD2 1 28 TYR QE . . 3.420 2.283 2.177 2.412 . 0 0 "[ . 1 . 2]" 2
319 1 19 GLU HB3 1 28 TYR QE . . 3.670 2.037 1.993 2.361 . 0 0 "[ . 1 . 2]" 2
320 1 50 LEU HA 1 53 VAL MG2 . . 4.520 2.716 2.324 2.895 . 0 0 "[ . 1 . 2]" 2
321 1 53 VAL HA 1 53 VAL MG2 . . 3.220 2.311 2.287 2.357 . 0 0 "[ . 1 . 2]" 2
322 1 49 HIS HE1 1 53 VAL MG1 . . 5.100 4.714 4.479 5.070 . 0 0 "[ . 1 . 2]" 2
323 1 23 VAL H 1 23 VAL MG2 . . 3.150 2.007 1.978 2.062 . 0 0 "[ . 1 . 2]" 2
324 1 22 CYS HA 1 23 VAL MG2 . . 3.740 3.675 3.625 3.732 . 0 0 "[ . 1 . 2]" 2
325 1 23 VAL HA 1 23 VAL MG2 . . 3.240 3.195 3.191 3.198 . 0 0 "[ . 1 . 2]" 2
326 1 15 ALA MB 1 28 TYR HA . . 3.680 2.450 2.343 2.710 . 0 0 "[ . 1 . 2]" 2
327 1 15 ALA MB 1 19 GLU HB2 . . 3.660 2.923 2.701 3.085 . 0 0 "[ . 1 . 2]" 2
328 1 15 ALA MB 1 21 ILE MD . . 3.560 2.758 2.407 3.409 . 0 0 "[ . 1 . 2]" 2
329 1 23 VAL H 1 23 VAL MG1 . . 3.140 2.754 2.720 2.812 . 0 0 "[ . 1 . 2]" 2
330 1 19 GLU HA 1 20 PRO HD2 . . 3.050 2.510 2.501 2.537 . 0 0 "[ . 1 . 2]" 2
331 1 40 VAL MG2 1 46 LYS HA . . 3.420 2.771 2.478 2.895 . 0 0 "[ . 1 . 2]" 2
332 1 31 TYR HB3 1 40 VAL MG2 . . 3.600 3.041 2.726 3.335 . 0 0 "[ . 1 . 2]" 2
333 1 40 VAL MG2 1 45 CYS HB2 . . 3.780 3.453 3.413 3.575 . 0 0 "[ . 1 . 2]" 2
334 1 31 TYR HB2 1 40 VAL MG2 . . 3.600 1.959 1.925 2.003 . 0 0 "[ . 1 . 2]" 2
335 1 19 GLU HB3 1 20 PRO HD2 . . 3.260 2.140 1.990 2.285 . 0 0 "[ . 1 . 2]" 2
336 1 40 VAL MG2 1 46 LYS HB2 . . 3.230 2.210 1.987 2.311 . 0 0 "[ . 1 . 2]" 2
337 1 47 ALA MB 1 51 LEU MD1 . . 4.390 3.882 3.828 3.978 . 0 0 "[ . 1 . 2]" 2
338 1 32 ILE HA 1 32 ILE MG . . 3.380 2.387 2.372 2.407 . 0 0 "[ . 1 . 2]" 2
339 1 21 ILE HA 1 21 ILE MG . . 3.260 2.315 2.300 2.330 . 0 0 "[ . 1 . 2]" 2
340 1 21 ILE HG12 1 21 ILE MG . . 3.120 2.236 2.162 2.298 . 0 0 "[ . 1 . 2]" 2
341 1 32 ILE HA 1 39 ASP HA . . 4.700 2.419 2.238 2.625 . 0 0 "[ . 1 . 2]" 2
342 1 32 ILE HA 1 33 CYS HB2 . . 4.650 4.179 4.158 4.189 . 0 0 "[ . 1 . 2]" 2
343 1 32 ILE HA 1 32 ILE HG12 . . 4.190 3.429 3.342 3.459 . 0 0 "[ . 1 . 2]" 2
344 1 32 ILE H 1 32 ILE HG12 . . 4.790 4.627 4.542 4.695 . 0 0 "[ . 1 . 2]" 2
345 1 32 ILE HA 1 32 ILE HG13 . . 4.190 2.264 2.231 2.287 . 0 0 "[ . 1 . 2]" 2
346 1 32 ILE HA 1 32 ILE MD . . 3.930 3.394 3.346 3.473 . 0 0 "[ . 1 . 2]" 2
347 1 32 ILE H 1 32 ILE MD . . 4.410 2.803 2.557 3.055 . 0 0 "[ . 1 . 2]" 2
348 1 13 ARG HG3 1 28 TYR HB3 . . 4.840 4.496 4.039 4.837 . 0 0 "[ . 1 . 2]" 2
349 1 15 ALA MB 1 28 TYR HB3 . . 4.820 3.581 3.351 3.759 . 0 0 "[ . 1 . 2]" 2
350 1 13 ARG HG2 1 28 TYR HB2 . . 5.000 4.396 3.760 4.906 . 0 0 "[ . 1 . 2]" 2
351 1 15 ALA HA 1 28 TYR HB3 . . 5.500 5.271 4.957 5.504 0.004 19 0 "[ . 1 . 2]" 2
352 1 27 ARG HA 1 28 TYR HB3 . . 5.500 5.227 5.105 5.290 . 0 0 "[ . 1 . 2]" 2
353 1 28 TYR HB3 1 29 GLY H . . 4.760 3.963 3.924 4.022 . 0 0 "[ . 1 . 2]" 2
354 1 25 CYS HB3 1 27 ARG HB2 . . 5.500 4.185 4.122 4.298 . 0 0 "[ . 1 . 2]" 2
355 1 25 CYS H 1 26 GLY HA3 . . 5.080 4.983 4.931 5.031 . 0 0 "[ . 1 . 2]" 2
356 1 25 CYS HB3 1 26 GLY H . . 4.990 2.757 2.739 2.775 . 0 0 "[ . 1 . 2]" 2
357 1 25 CYS H 1 25 CYS HB3 . . 3.930 3.642 3.628 3.659 . 0 0 "[ . 1 . 2]" 2
358 1 25 CYS HB3 1 27 ARG H . . 4.930 4.073 3.965 4.169 . 0 0 "[ . 1 . 2]" 2
359 1 25 CYS H 1 25 CYS HB2 . . 3.790 2.442 2.428 2.459 . 0 0 "[ . 1 . 2]" 2
360 1 25 CYS HB2 1 27 ARG H . . 5.000 3.408 3.310 3.476 . 0 0 "[ . 1 . 2]" 2
361 1 24 VAL H 1 25 CYS HB2 . . 5.030 4.083 4.068 4.099 . 0 0 "[ . 1 . 2]" 2
362 1 23 VAL MG1 1 24 VAL HA . . 5.500 5.540 5.532 5.546 0.046 11 0 "[ . 1 . 2]" 2
363 1 24 VAL HB 1 40 VAL MG1 . . 5.500 5.458 5.427 5.514 0.014 13 0 "[ . 1 . 2]" 2
364 1 24 VAL MG1 1 48 LYS HD3 . . 4.680 3.790 3.401 4.119 . 0 0 "[ . 1 . 2]" 2
365 1 24 VAL MG2 1 45 CYS HB3 . . 3.890 1.981 1.909 2.011 . 0 0 "[ . 1 . 2]" 2
366 1 24 VAL H 1 24 VAL MG2 . . 3.830 2.119 2.087 2.209 . 0 0 "[ . 1 . 2]" 2
367 1 23 VAL MG1 1 38 GLU HB3 . . 4.420 2.827 1.960 3.487 . 0 0 "[ . 1 . 2]" 2
368 1 23 VAL MG1 1 49 HIS HB2 . . 4.960 4.888 4.764 4.968 0.008 5 0 "[ . 1 . 2]" 2
369 1 23 VAL MG1 1 39 ASP HB2 . . 4.350 3.340 3.181 3.536 . 0 0 "[ . 1 . 2]" 2
370 1 23 VAL MG1 1 40 VAL HA . . 5.260 4.887 4.845 4.956 . 0 0 "[ . 1 . 2]" 2
371 1 23 VAL MG1 1 49 HIS HD2 . . 5.270 5.201 5.067 5.285 0.015 9 0 "[ . 1 . 2]" 2
372 1 23 VAL MG1 1 49 HIS HE1 . . 4.430 4.140 4.036 4.335 . 0 0 "[ . 1 . 2]" 2
373 1 21 ILE MG 1 22 CYS HB3 . . 4.940 3.514 3.486 3.568 . 0 0 "[ . 1 . 2]" 2
374 1 22 CYS HB3 1 27 ARG HB2 . . 4.990 4.803 4.728 4.901 . 0 0 "[ . 1 . 2]" 2
375 1 22 CYS HB3 1 26 GLY HA3 . . 4.720 4.652 4.640 4.673 . 0 0 "[ . 1 . 2]" 2
376 1 22 CYS HB3 1 40 VAL HA . . 4.670 4.350 4.324 4.381 . 0 0 "[ . 1 . 2]" 2
377 1 22 CYS HB3 1 24 VAL H . . 4.540 2.992 2.932 3.058 . 0 0 "[ . 1 . 2]" 2
378 1 22 CYS HB3 1 41 CYS H . . 4.810 4.690 4.648 4.788 . 0 0 "[ . 1 . 2]" 2
379 1 21 ILE HA 1 22 CYS HB2 . . 4.700 4.322 4.299 4.335 . 0 0 "[ . 1 . 2]" 2
380 1 22 CYS HB2 1 23 VAL H . . 4.600 4.290 4.275 4.301 . 0 0 "[ . 1 . 2]" 2
381 1 22 CYS H 1 22 CYS HB2 . . 3.960 2.154 2.130 2.162 . 0 0 "[ . 1 . 2]" 2
382 1 21 ILE MG 1 22 CYS HB2 . . 4.840 3.476 3.419 3.540 . 0 0 "[ . 1 . 2]" 2
383 1 21 ILE HB 1 22 CYS H . . 4.550 3.932 3.894 3.951 . 0 0 "[ . 1 . 2]" 2
384 1 21 ILE H 1 21 ILE HG12 . . 4.550 4.325 4.287 4.352 . 0 0 "[ . 1 . 2]" 2
385 1 21 ILE MD 1 26 GLY HA2 . . 4.800 4.790 4.578 4.813 0.013 11 0 "[ . 1 . 2]" 2
386 1 21 ILE HA 1 21 ILE MD . . 4.090 3.879 3.870 3.884 . 0 0 "[ . 1 . 2]" 2
387 1 21 ILE H 1 21 ILE MD . . 4.360 3.866 3.675 4.069 . 0 0 "[ . 1 . 2]" 2
388 1 21 ILE MD 1 28 TYR QD . . 5.330 4.783 4.699 4.902 . 0 0 "[ . 1 . 2]" 2
389 1 20 PRO HA 1 21 ILE MD . . 5.010 4.449 4.281 4.577 . 0 0 "[ . 1 . 2]" 2
390 1 20 PRO HA 1 32 ILE MD . . 5.490 5.297 5.064 5.491 0.001 1 0 "[ . 1 . 2]" 2
391 1 15 ALA MB 1 20 PRO HA . . 5.500 5.191 4.971 5.512 0.012 9 0 "[ . 1 . 2]" 2
392 1 20 PRO HA 1 21 ILE HG12 . . 5.500 5.302 5.184 5.401 . 0 0 "[ . 1 . 2]" 2
393 1 20 PRO HB2 1 21 ILE H . . 4.310 3.084 2.958 3.239 . 0 0 "[ . 1 . 2]" 2
394 1 20 PRO HB3 1 21 ILE H . . 4.310 3.715 3.641 3.810 . 0 0 "[ . 1 . 2]" 2
395 1 20 PRO HG3 1 28 TYR QE . . 4.350 4.168 3.981 4.354 0.004 4 0 "[ . 1 . 2]" 2
396 1 20 PRO HG2 1 29 GLY H . . 4.830 3.205 3.116 3.328 . 0 0 "[ . 1 . 2]" 2
397 1 16 GLU H 1 19 GLU HB2 . . 5.250 3.161 2.675 3.590 . 0 0 "[ . 1 . 2]" 2
398 1 15 ALA MB 1 19 GLU HG2 . . 5.070 4.522 3.960 5.042 . 0 0 "[ . 1 . 2]" 2
399 1 15 ALA MB 1 19 GLU HG3 . . 5.070 4.724 4.060 5.072 0.002 12 0 "[ . 1 . 2]" 2
400 1 19 GLU HG2 1 20 PRO HD2 . . 4.530 3.132 1.998 3.914 . 0 0 "[ . 1 . 2]" 2
401 1 19 GLU HG2 1 20 PRO HD3 . . 5.050 4.242 2.903 4.909 . 0 0 "[ . 1 . 2]" 2
402 1 19 GLU HG3 1 20 PRO HD3 . . 5.050 3.815 2.922 4.792 . 0 0 "[ . 1 . 2]" 2
403 1 19 GLU HG3 1 20 PRO HD2 . . 4.530 2.804 1.998 3.674 . 0 0 "[ . 1 . 2]" 2
404 1 19 GLU HG3 1 28 TYR QD . . 5.500 4.906 4.202 5.504 0.004 1 0 "[ . 1 . 2]" 2
405 1 19 GLU HG2 1 28 TYR QD . . 5.500 4.801 4.060 5.526 0.026 17 0 "[ . 1 . 2]" 2
406 1 19 GLU H 1 19 GLU HG2 . . 4.600 3.971 3.101 4.566 . 0 0 "[ . 1 . 2]" 2
407 1 19 GLU H 1 19 GLU HG3 . . 4.600 4.058 3.437 4.412 . 0 0 "[ . 1 . 2]" 2
408 1 17 PRO HA 1 19 GLU H . . 4.980 4.189 4.088 4.402 . 0 0 "[ . 1 . 2]" 2
409 1 16 GLU HA 1 17 PRO HG2 . . 4.780 4.610 4.600 4.631 . 0 0 "[ . 1 . 2]" 2
410 1 16 GLU HA 1 17 PRO HG3 . . 4.780 4.547 4.539 4.564 . 0 0 "[ . 1 . 2]" 2
411 1 15 ALA HA 1 19 GLU HB2 . . 5.010 4.347 3.950 4.819 . 0 0 "[ . 1 . 2]" 2
412 1 15 ALA HA 1 28 TYR HB2 . . 4.060 3.630 3.304 3.934 . 0 0 "[ . 1 . 2]" 2
413 1 15 ALA HA 1 28 TYR QD . . 4.200 3.812 3.282 4.292 0.092 17 0 "[ . 1 . 2]" 2
414 1 15 ALA MB 1 19 GLU HB3 . . 4.030 2.924 2.634 3.278 . 0 0 "[ . 1 . 2]" 2
415 1 15 ALA MB 1 28 TYR HB2 . . 4.580 2.039 1.883 2.221 . 0 0 "[ . 1 . 2]" 2
416 1 15 ALA MB 1 29 GLY H . . 4.470 3.754 3.641 3.961 . 0 0 "[ . 1 . 2]" 2
417 1 15 ALA MB 1 16 GLU H . . 4.200 2.865 2.171 3.213 . 0 0 "[ . 1 . 2]" 2
418 1 14 TRP HB3 1 15 ALA H . . 5.150 3.081 2.036 4.160 . 0 0 "[ . 1 . 2]" 2
419 1 14 TRP HB2 1 15 ALA H . . 5.150 3.669 3.101 4.383 . 0 0 "[ . 1 . 2]" 2
420 1 32 ILE MG 1 37 ASP HB3 . . 4.650 3.310 3.236 3.406 . 0 0 "[ . 1 . 2]" 2
421 1 23 VAL MG1 1 38 GLU HB2 . . 4.420 3.970 3.429 4.312 . 0 0 "[ . 1 . 2]" 2
422 1 23 VAL MG1 1 38 GLU HG2 . . 4.990 3.029 2.573 3.794 . 0 0 "[ . 1 . 2]" 2
423 1 23 VAL MG1 1 38 GLU HG3 . . 4.990 2.159 1.894 2.659 . 0 0 "[ . 1 . 2]" 2
424 1 23 VAL MG2 1 38 GLU HG2 . . 5.260 2.967 2.146 4.262 . 0 0 "[ . 1 . 2]" 2
425 1 23 VAL MG2 1 38 GLU HG3 . . 5.260 2.920 2.794 3.174 . 0 0 "[ . 1 . 2]" 2
426 1 38 GLU H 1 38 GLU HG2 . . 5.330 3.766 2.543 4.476 . 0 0 "[ . 1 . 2]" 2
427 1 38 GLU H 1 38 GLU HG3 . . 5.330 4.193 3.905 4.404 . 0 0 "[ . 1 . 2]" 2
428 1 55 GLU HG3 1 56 LYS H . . 5.020 2.499 2.056 2.946 . 0 0 "[ . 1 . 2]" 2
429 1 23 VAL MG2 1 39 ASP HB2 . . 4.840 4.494 4.425 4.560 . 0 0 "[ . 1 . 2]" 2
430 1 22 CYS HB2 1 40 VAL HA . . 4.410 3.633 3.588 3.692 . 0 0 "[ . 1 . 2]" 2
431 1 40 VAL HA 1 45 CYS HB2 . . 4.800 3.848 3.822 3.878 . 0 0 "[ . 1 . 2]" 2
432 1 40 VAL HA 1 45 CYS HB3 . . 5.190 3.812 3.754 3.931 . 0 0 "[ . 1 . 2]" 2
433 1 23 VAL H 1 40 VAL HA . . 3.810 3.281 3.207 3.344 . 0 0 "[ . 1 . 2]" 2
434 1 40 VAL HB 1 46 LYS HA . . 4.610 3.991 3.788 4.077 . 0 0 "[ . 1 . 2]" 2
435 1 22 CYS HA 1 40 VAL HB . . 5.220 4.719 4.658 4.767 . 0 0 "[ . 1 . 2]" 2
436 1 40 VAL HB 1 45 CYS HA . . 5.500 4.833 4.807 4.889 . 0 0 "[ . 1 . 2]" 2
437 1 40 VAL HB 1 46 LYS H . . 4.670 3.410 3.150 3.517 . 0 0 "[ . 1 . 2]" 2
438 1 40 VAL HB 1 41 CYS H . . 3.820 2.399 2.258 2.443 . 0 0 "[ . 1 . 2]" 2
439 1 22 CYS HB2 1 40 VAL MG1 . . 5.270 4.874 4.848 4.922 . 0 0 "[ . 1 . 2]" 2
440 1 39 ASP HB2 1 40 VAL MG1 . . 5.500 4.825 4.771 4.868 . 0 0 "[ . 1 . 2]" 2
441 1 40 VAL MG1 1 49 HIS HB3 . . 4.100 3.533 3.383 3.628 . 0 0 "[ . 1 . 2]" 2
442 1 22 CYS HA 1 40 VAL MG1 . . 4.300 3.382 3.246 3.473 . 0 0 "[ . 1 . 2]" 2
443 1 40 VAL MG1 1 45 CYS HA . . 4.930 3.776 3.634 3.885 . 0 0 "[ . 1 . 2]" 2
444 1 40 VAL MG1 1 49 HIS HD2 . . 5.150 4.857 4.662 5.138 . 0 0 "[ . 1 . 2]" 2
445 1 40 VAL MG1 1 46 LYS H . . 4.720 2.914 2.862 2.983 . 0 0 "[ . 1 . 2]" 2
446 1 40 VAL MG1 1 41 CYS H . . 4.280 3.436 3.392 3.462 . 0 0 "[ . 1 . 2]" 2
447 1 32 ILE HA 1 40 VAL MG2 . . 4.650 3.584 3.410 3.798 . 0 0 "[ . 1 . 2]" 2
448 1 31 TYR QD 1 40 VAL MG2 . . 3.990 3.019 2.559 3.325 . 0 0 "[ . 1 . 2]" 2
449 1 40 VAL MG2 1 42 SER H . . 4.210 3.942 3.843 3.993 . 0 0 "[ . 1 . 2]" 2
450 1 12 GLN HB3 1 41 CYS HB2 . . 4.560 4.231 3.807 4.466 . 0 0 "[ . 1 . 2]" 2
451 1 27 ARG HB2 1 41 CYS HB2 . . 5.310 5.162 5.073 5.223 . 0 0 "[ . 1 . 2]" 2
452 1 27 ARG HB2 1 41 CYS HB3 . . 4.480 4.300 4.168 4.362 . 0 0 "[ . 1 . 2]" 2
453 1 22 CYS H 1 41 CYS HB3 . . 5.030 4.310 4.241 4.384 . 0 0 "[ . 1 . 2]" 2
454 1 27 ARG H 1 41 CYS HB3 . . 5.190 5.171 5.105 5.212 0.022 17 0 "[ . 1 . 2]" 2
455 1 21 ILE MG 1 41 CYS HB3 . . 5.470 5.419 5.342 5.479 0.009 19 0 "[ . 1 . 2]" 2
456 1 43 LEU HA 1 43 LEU MD1 . . 3.940 3.786 3.737 3.802 . 0 0 "[ . 1 . 2]" 2
457 1 42 SER HB3 1 43 LEU HA . . 5.190 4.831 4.477 5.152 . 0 0 "[ . 1 . 2]" 2
458 1 44 GLU HA 1 47 ALA H . . 4.530 3.988 3.938 4.106 . 0 0 "[ . 1 . 2]" 2
459 1 44 GLU HA 1 46 LYS H . . 4.890 4.268 4.218 4.484 . 0 0 "[ . 1 . 2]" 2
460 1 44 GLU HA 1 48 LYS H . . 4.810 4.256 4.206 4.309 . 0 0 "[ . 1 . 2]" 2
461 1 44 GLU HB2 1 45 CYS H . . 4.130 3.994 3.931 4.050 . 0 0 "[ . 1 . 2]" 2
462 1 44 GLU HA 1 44 GLU HG2 . . 3.820 3.244 3.129 3.344 . 0 0 "[ . 1 . 2]" 2
463 1 45 CYS HA 1 48 LYS HD3 . . 3.960 2.726 2.509 2.982 . 0 0 "[ . 1 . 2]" 2
464 1 45 CYS HA 1 49 HIS H . . 4.730 4.361 4.317 4.393 . 0 0 "[ . 1 . 2]" 2
465 1 41 CYS H 1 45 CYS HB2 . . 4.280 3.033 2.958 3.099 . 0 0 "[ . 1 . 2]" 2
466 1 41 CYS H 1 45 CYS HB3 . . 4.930 3.690 3.659 3.738 . 0 0 "[ . 1 . 2]" 2
467 1 46 LYS HA 1 49 HIS HB3 . . 3.810 3.534 3.449 3.575 . 0 0 "[ . 1 . 2]" 2
468 1 45 CYS HB2 1 46 LYS HA . . 4.810 4.252 4.188 4.289 . 0 0 "[ . 1 . 2]" 2
469 1 45 CYS HB3 1 46 LYS HA . . 5.270 4.491 4.451 4.571 . 0 0 "[ . 1 . 2]" 2
470 1 46 LYS HG2 1 50 LEU MD2 . . 5.320 4.484 3.545 4.653 . 0 0 "[ . 1 . 2]" 2
471 1 46 LYS HG3 1 50 LEU MD2 . . 5.320 3.770 3.641 4.522 . 0 0 "[ . 1 . 2]" 2
472 1 46 LYS H 1 46 LYS HG3 . . 5.490 4.427 4.183 4.468 . 0 0 "[ . 1 . 2]" 2
473 1 40 VAL MG2 1 46 LYS HD3 . . 4.350 3.632 3.477 4.392 0.042 8 0 "[ . 1 . 2]" 2
474 1 47 ALA HA 1 51 LEU H . . 5.150 3.351 3.296 3.463 . 0 0 "[ . 1 . 2]" 2
475 1 47 ALA MB 1 48 LYS HB2 . . 5.500 4.495 4.427 4.524 . 0 0 "[ . 1 . 2]" 2
476 1 47 ALA MB 1 48 LYS HB3 . . 5.500 5.495 5.452 5.508 0.008 20 0 "[ . 1 . 2]" 2
477 1 47 ALA MB 1 50 LEU HB2 . . 4.530 3.678 3.645 3.734 . 0 0 "[ . 1 . 2]" 2
478 1 47 ALA MB 1 51 LEU HB3 . . 4.920 3.603 3.571 3.696 . 0 0 "[ . 1 . 2]" 2
479 1 46 LYS HB3 1 47 ALA MB . . 4.280 3.779 3.531 3.822 . 0 0 "[ . 1 . 2]" 2
480 1 46 LYS H 1 47 ALA MB . . 4.780 4.579 4.552 4.653 . 0 0 "[ . 1 . 2]" 2
481 1 48 LYS HA 1 51 LEU H . . 4.320 4.330 4.299 4.349 0.029 9 0 "[ . 1 . 2]" 2
482 1 48 LYS HA 1 50 LEU H . . 4.880 4.721 4.620 4.908 0.028 19 0 "[ . 1 . 2]" 2
483 1 47 ALA H 1 48 LYS HA . . 5.360 5.223 5.204 5.254 . 0 0 "[ . 1 . 2]" 2
484 1 48 LYS H 1 48 LYS HG3 . . 4.480 3.156 3.063 3.338 . 0 0 "[ . 1 . 2]" 2
485 1 49 HIS HA 1 52 GLN HB3 . . 4.220 3.614 3.388 3.683 . 0 0 "[ . 1 . 2]" 2
486 1 49 HIS HA 1 52 GLN HB2 . . 4.220 2.262 2.116 2.310 . 0 0 "[ . 1 . 2]" 2
487 1 49 HIS HA 1 49 HIS HD2 . . 4.790 4.544 4.418 4.618 . 0 0 "[ . 1 . 2]" 2
488 1 49 HIS HA 1 51 LEU H . . 4.810 4.758 4.538 4.801 . 0 0 "[ . 1 . 2]" 2
489 1 49 HIS HB3 1 50 LEU HB2 . . 5.220 5.049 5.005 5.109 . 0 0 "[ . 1 . 2]" 2
490 1 48 LYS H 1 49 HIS HB3 . . 5.110 4.802 4.738 4.834 . 0 0 "[ . 1 . 2]" 2
491 1 47 ALA HA 1 50 LEU HB3 . . 4.230 3.855 3.776 3.959 . 0 0 "[ . 1 . 2]" 2
492 1 50 LEU HA 1 50 LEU HG . . 4.140 3.163 3.124 3.207 . 0 0 "[ . 1 . 2]" 2
493 1 46 LYS HE2 1 50 LEU HG . . 5.500 5.274 5.118 5.502 0.002 8 0 "[ . 1 . 2]" 2
494 1 46 LYS HE3 1 50 LEU HG . . 5.500 5.059 4.611 5.510 0.010 8 0 "[ . 1 . 2]" 2
495 1 49 HIS HB2 1 50 LEU HG . . 5.500 5.501 5.456 5.523 0.023 8 0 "[ . 1 . 2]" 2
496 1 49 HIS HB3 1 50 LEU HG . . 5.070 3.786 3.737 3.812 . 0 0 "[ . 1 . 2]" 2
497 1 50 LEU MD2 1 53 VAL H . . 4.990 4.816 4.770 4.996 0.006 19 0 "[ . 1 . 2]" 2
498 1 46 LYS HE2 1 50 LEU MD1 . . 5.010 3.322 3.114 3.702 . 0 0 "[ . 1 . 2]" 2
499 1 46 LYS HE3 1 50 LEU MD1 . . 5.010 3.030 2.504 4.297 . 0 0 "[ . 1 . 2]" 2
500 1 49 HIS HD2 1 50 LEU MD1 . . 5.170 4.972 4.926 5.020 . 0 0 "[ . 1 . 2]" 2
501 1 50 LEU H 1 50 LEU MD1 . . 4.110 3.760 3.737 3.769 . 0 0 "[ . 1 . 2]" 2
502 1 51 LEU HB2 1 52 GLN H . . 4.470 4.388 4.377 4.413 . 0 0 "[ . 1 . 2]" 2
503 1 48 LYS HA 1 51 LEU HB3 . . 4.290 4.309 4.295 4.350 0.060 19 0 "[ . 1 . 2]" 2
504 1 51 LEU HG 1 52 GLN HA . . 4.440 3.417 3.393 3.467 . 0 0 "[ . 1 . 2]" 2
505 1 48 LYS HA 1 51 LEU HG . . 4.950 4.903 4.873 4.957 0.007 19 0 "[ . 1 . 2]" 2
506 1 51 LEU HG 1 52 GLN H . . 4.980 3.624 3.589 3.693 . 0 0 "[ . 1 . 2]" 2
507 1 52 GLN HB3 1 53 VAL H . . 4.170 3.621 3.487 3.893 . 0 0 "[ . 1 . 2]" 2
508 1 52 GLN HG3 1 53 VAL H . . 5.500 5.263 5.166 5.489 . 0 0 "[ . 1 . 2]" 2
509 1 52 GLN HA 1 52 GLN HG2 . . 4.000 2.256 2.194 2.281 . 0 0 "[ . 1 . 2]" 2
510 1 49 HIS HA 1 52 GLN HG2 . . 4.880 4.587 4.528 4.692 . 0 0 "[ . 1 . 2]" 2
511 1 51 LEU HB2 1 52 GLN HG2 . . 5.500 5.545 5.528 5.603 0.103 19 0 "[ . 1 . 2]" 2
512 1 51 LEU HA 1 53 VAL HB . . 5.500 5.362 5.006 5.502 0.002 13 0 "[ . 1 . 2]" 2
513 1 53 VAL HB 1 54 LYS HA . . 5.500 4.343 4.294 4.465 . 0 0 "[ . 1 . 2]" 2
514 1 36 THR MG 1 53 VAL HB . . 4.890 3.468 3.194 3.732 . 0 0 "[ . 1 . 2]" 2
515 1 53 VAL MG1 1 54 LYS HA . . 5.500 3.631 3.550 3.699 . 0 0 "[ . 1 . 2]" 2
516 1 49 HIS HD2 1 53 VAL MG2 . . 5.500 2.892 2.579 3.143 . 0 0 "[ . 1 . 2]" 2
517 1 31 TYR QD 1 43 LEU MD2 . . 4.570 3.592 3.148 4.012 . 0 0 "[ . 1 . 2]" 2
518 1 31 TYR QD 1 43 LEU HG . . 5.350 4.635 4.133 5.262 . 0 0 "[ . 1 . 2]" 2
519 1 31 TYR HA 1 31 TYR QD . . 3.960 2.143 1.996 2.762 . 0 0 "[ . 1 . 2]" 2
520 1 31 TYR H 1 31 TYR QD . . 3.980 3.513 3.228 3.619 . 0 0 "[ . 1 . 2]" 2
521 1 31 TYR QD 1 32 ILE H . . 4.580 3.841 3.594 4.118 . 0 0 "[ . 1 . 2]" 2
522 1 28 TYR QD 1 29 GLY H . . 3.910 2.636 2.449 2.919 . 0 0 "[ . 1 . 2]" 2
523 1 49 HIS HD2 1 53 VAL MG1 . . 5.500 4.984 4.746 5.184 . 0 0 "[ . 1 . 2]" 2
524 1 36 THR MG 1 49 HIS HE1 . . 5.020 4.642 4.003 4.988 . 0 0 "[ . 1 . 2]" 2
525 1 38 GLU HG2 1 49 HIS HE1 . . 4.630 3.732 3.286 4.485 . 0 0 "[ . 1 . 2]" 2
526 1 38 GLU HG3 1 49 HIS HE1 . . 4.630 4.073 2.902 4.643 0.013 19 0 "[ . 1 . 2]" 2
527 1 36 THR HB 1 49 HIS HE1 . . 5.500 5.236 4.214 5.509 0.009 11 0 "[ . 1 . 2]" 2
528 1 32 ILE MG 1 33 CYS HB2 . . 4.710 4.047 3.950 4.132 . 0 0 "[ . 1 . 2]" 2
529 1 33 CYS HB2 1 40 VAL MG2 . . 5.030 4.194 4.045 4.328 . 0 0 "[ . 1 . 2]" 2
530 1 33 CYS HB2 1 37 ASP HA . . 5.140 4.331 4.189 4.458 . 0 0 "[ . 1 . 2]" 2
531 1 33 CYS HB2 1 49 HIS HD2 . . 5.350 5.004 4.556 5.209 . 0 0 "[ . 1 . 2]" 2
532 1 33 CYS HB2 1 34 ASP H . . 4.580 3.731 3.715 3.767 . 0 0 "[ . 1 . 2]" 2
533 1 32 ILE MG 1 33 CYS HB3 . . 4.330 4.135 4.060 4.227 . 0 0 "[ . 1 . 2]" 2
534 1 33 CYS HB3 1 37 ASP HA . . 4.750 3.376 3.210 3.474 . 0 0 "[ . 1 . 2]" 2
535 1 33 CYS HB3 1 49 HIS HD2 . . 5.500 5.471 4.962 5.522 0.022 14 0 "[ . 1 . 2]" 2
536 1 33 CYS HB3 1 34 ASP H . . 5.110 2.515 2.392 2.622 . 0 0 "[ . 1 . 2]" 2
537 1 33 CYS HB3 1 38 GLU H . . 5.500 2.988 2.734 3.167 . 0 0 "[ . 1 . 2]" 2
538 1 36 THR HB 1 37 ASP H . . 4.470 3.931 3.611 4.254 . 0 0 "[ . 1 . 2]" 2
539 1 36 THR MG 1 49 HIS HD2 . . 4.490 3.171 2.782 3.402 . 0 0 "[ . 1 . 2]" 2
540 1 11 THR MG 1 12 GLN H . . 4.670 3.612 2.411 4.373 . 0 0 "[ . 1 . 2]" 2
541 1 36 THR MG 1 53 VAL H . . 5.500 5.167 4.756 5.496 . 0 0 "[ . 1 . 2]" 2
542 1 34 ASP H 1 37 ASP HA . . 4.770 4.280 4.169 4.368 . 0 0 "[ . 1 . 2]" 2
543 1 32 ILE MG 1 33 CYS HA . . 4.300 4.006 3.976 4.038 . 0 0 "[ . 1 . 2]" 2
544 1 33 CYS HA 1 46 LYS HD3 . . 5.310 4.924 4.665 5.267 . 0 0 "[ . 1 . 2]" 2
545 1 21 ILE MG 1 27 ARG HA . . 4.220 3.192 3.059 3.302 . 0 0 "[ . 1 . 2]" 2
546 1 27 ARG HA 1 27 ARG HD3 . . 4.910 2.866 2.001 4.818 . 0 0 "[ . 1 . 2]" 2
547 1 14 TRP HE3 1 27 ARG HA . . 4.910 4.327 3.343 4.939 0.029 17 0 "[ . 1 . 2]" 2
548 1 19 GLU HB3 1 20 PRO HD3 . . 4.030 3.558 3.436 3.675 . 0 0 "[ . 1 . 2]" 2
549 1 56 LYS HA 1 56 LYS HD2 . . 5.500 4.179 2.713 5.251 . 0 0 "[ . 1 . 2]" 2
550 1 56 LYS HA 1 56 LYS HD3 . . 5.500 4.211 2.940 5.450 . 0 0 "[ . 1 . 2]" 2
551 1 53 VAL MG2 1 54 LYS HA . . 5.500 5.441 5.428 5.463 . 0 0 "[ . 1 . 2]" 2
552 1 50 LEU MD2 1 53 VAL HB . . 4.500 3.906 3.805 4.059 . 0 0 "[ . 1 . 2]" 2
553 1 51 LEU HA 1 51 LEU HG . . 3.830 3.493 3.466 3.503 . 0 0 "[ . 1 . 2]" 2
554 1 51 LEU H 1 51 LEU MD1 . . 4.100 4.006 3.990 4.034 . 0 0 "[ . 1 . 2]" 2
555 1 50 LEU HA 1 53 VAL H . . 4.300 3.354 3.327 3.580 . 0 0 "[ . 1 . 2]" 2
556 1 49 HIS HA 1 50 LEU HA . . 4.950 4.815 4.795 4.856 . 0 0 "[ . 1 . 2]" 2
557 1 50 LEU HA 1 50 LEU MD2 . . 3.900 2.033 1.946 2.091 . 0 0 "[ . 1 . 2]" 2
558 1 36 THR MG 1 50 LEU MD1 . . 4.510 4.517 4.514 4.520 0.010 16 0 "[ . 1 . 2]" 2
559 1 48 LYS HB2 1 49 HIS HA . . 5.500 5.025 4.981 5.124 . 0 0 "[ . 1 . 2]" 2
560 1 48 LYS HB3 1 49 HIS HA . . 5.500 4.133 4.086 4.153 . 0 0 "[ . 1 . 2]" 2
561 1 49 HIS HA 1 52 GLN HG3 . . 4.700 3.435 3.395 3.597 . 0 0 "[ . 1 . 2]" 2
562 1 21 ILE HA 1 39 ASP HB2 . . 5.020 4.289 4.022 4.458 . 0 0 "[ . 1 . 2]" 2
563 1 48 LYS HA 1 52 GLN H . . 5.060 4.837 4.823 4.852 . 0 0 "[ . 1 . 2]" 2
564 1 48 LYS HB2 1 50 LEU H . . 5.500 5.267 5.177 5.426 . 0 0 "[ . 1 . 2]" 2
565 1 48 LYS HB3 1 50 LEU H . . 5.500 5.489 5.410 5.521 0.021 19 0 "[ . 1 . 2]" 2
566 1 46 LYS HA 1 46 LYS HD2 . . 4.620 4.217 4.059 4.413 . 0 0 "[ . 1 . 2]" 2
567 1 46 LYS HA 1 46 LYS HD3 . . 4.620 4.244 4.174 4.678 0.058 14 0 "[ . 1 . 2]" 2
568 1 45 CYS HA 1 46 LYS HA . . 5.420 4.861 4.851 4.874 . 0 0 "[ . 1 . 2]" 2
569 1 46 LYS HA 1 47 ALA HA . . 5.500 4.739 4.734 4.752 . 0 0 "[ . 1 . 2]" 2
570 1 46 LYS HB3 1 46 LYS HE2 . . 5.500 3.587 3.147 4.732 . 0 0 "[ . 1 . 2]" 2
571 1 46 LYS HB3 1 46 LYS HE3 . . 5.500 4.567 4.362 4.699 . 0 0 "[ . 1 . 2]" 2
572 1 46 LYS HB3 1 47 ALA HA . . 4.710 4.422 3.966 4.485 . 0 0 "[ . 1 . 2]" 2
573 1 33 CYS HA 1 46 LYS HD2 . . 5.310 3.706 3.345 5.297 . 0 0 "[ . 1 . 2]" 2
574 1 45 CYS HA 1 47 ALA MB . . 5.500 5.454 5.408 5.482 . 0 0 "[ . 1 . 2]" 2
575 1 44 GLU HG2 1 47 ALA MB . . 5.500 5.340 5.123 5.483 . 0 0 "[ . 1 . 2]" 2
576 1 44 GLU HG2 1 45 CYS H . . 5.400 3.783 3.564 3.891 . 0 0 "[ . 1 . 2]" 2
577 1 44 GLU H 1 44 GLU HG3 . . 4.910 4.481 4.464 4.503 . 0 0 "[ . 1 . 2]" 2
578 1 32 ILE MG 1 37 ASP HB2 . . 4.650 4.322 4.253 4.475 . 0 0 "[ . 1 . 2]" 2
579 1 32 ILE H 1 32 ILE MG . . 4.040 3.860 3.838 3.887 . 0 0 "[ . 1 . 2]" 2
580 1 32 ILE MG 1 33 CYS H . . 4.790 2.349 2.278 2.423 . 0 0 "[ . 1 . 2]" 2
581 1 21 ILE MG 1 22 CYS H . . 4.290 2.016 1.940 2.117 . 0 0 "[ . 1 . 2]" 2
582 1 21 ILE H 1 21 ILE MG . . 4.100 3.890 3.881 3.900 . 0 0 "[ . 1 . 2]" 2
583 1 31 TYR QE 1 43 LEU MD2 . . 4.370 3.884 3.266 4.376 0.006 16 0 "[ . 1 . 2]" 2
584 1 30 GLU HG3 1 31 TYR QE . . 5.250 4.747 3.155 5.253 0.003 15 0 "[ . 1 . 2]" 2
585 1 31 TYR QE 1 43 LEU HG . . 5.040 3.938 3.526 4.668 . 0 0 "[ . 1 . 2]" 2
586 1 31 TYR QE 1 42 SER HA . . 4.340 2.946 2.551 3.257 . 0 0 "[ . 1 . 2]" 2
587 1 31 TYR H 1 31 TYR QE . . 5.140 4.994 4.746 5.144 0.004 16 0 "[ . 1 . 2]" 2
588 1 21 ILE HG12 1 28 TYR HA . . 4.500 2.627 2.541 2.726 . 0 0 "[ . 1 . 2]" 2
589 1 19 GLU HB2 1 28 TYR QD . . 4.510 3.922 3.574 4.091 . 0 0 "[ . 1 . 2]" 2
590 1 20 PRO HG2 1 28 TYR QD . . 4.830 3.978 3.836 4.085 . 0 0 "[ . 1 . 2]" 2
591 1 20 PRO HD3 1 28 TYR QE . . 4.300 4.031 3.930 4.166 . 0 0 "[ . 1 . 2]" 2
592 1 28 TYR QE 1 30 GLU HA . . 4.350 2.455 2.031 2.613 . 0 0 "[ . 1 . 2]" 2
593 1 19 GLU HG2 1 28 TYR QE . . 4.320 3.197 2.028 4.331 0.011 17 0 "[ . 1 . 2]" 2
594 1 19 GLU HG3 1 28 TYR QE . . 4.320 3.168 2.524 4.038 . 0 0 "[ . 1 . 2]" 2
595 1 20 PRO HG2 1 28 TYR QE . . 4.090 2.907 2.623 3.169 . 0 0 "[ . 1 . 2]" 2
596 1 15 ALA MB 1 28 TYR QE . . 4.580 3.522 3.324 3.898 . 0 0 "[ . 1 . 2]" 2
597 1 28 TYR QE 1 32 ILE MD . . 5.500 4.982 4.741 5.165 . 0 0 "[ . 1 . 2]" 2
598 1 28 TYR QE 1 29 GLY H . . 5.030 3.675 3.576 3.866 . 0 0 "[ . 1 . 2]" 2
599 1 19 GLU HA 1 28 TYR QE . . 4.520 4.205 4.084 4.509 . 0 0 "[ . 1 . 2]" 2
600 1 22 CYS HB3 1 26 GLY HA2 . . 4.490 3.745 3.729 3.770 . 0 0 "[ . 1 . 2]" 2
601 1 23 VAL MG2 1 24 VAL HA . . 4.400 3.911 3.843 3.983 . 0 0 "[ . 1 . 2]" 2
602 1 24 VAL MG1 1 48 LYS H . . 5.300 4.794 4.720 4.874 . 0 0 "[ . 1 . 2]" 2
603 1 24 VAL MG2 1 48 LYS H . . 5.300 5.202 5.157 5.279 . 0 0 "[ . 1 . 2]" 2
604 1 23 VAL HB 1 39 ASP H . . 5.100 5.044 4.889 5.127 0.027 16 0 "[ . 1 . 2]" 2
605 1 23 VAL MG2 1 49 HIS HE1 . . 4.720 3.649 3.603 3.804 . 0 0 "[ . 1 . 2]" 2
606 1 23 VAL MG2 1 49 HIS HD2 . . 4.950 3.836 3.735 3.912 . 0 0 "[ . 1 . 2]" 2
607 1 23 VAL MG2 1 38 GLU HA . . 4.740 4.654 4.502 4.746 0.006 11 0 "[ . 1 . 2]" 2
608 1 23 VAL MG2 1 24 VAL HB . . 5.160 4.615 4.493 4.672 . 0 0 "[ . 1 . 2]" 2
609 1 23 VAL MG2 1 38 GLU HB3 . . 4.400 2.864 2.419 3.197 . 0 0 "[ . 1 . 2]" 2
610 1 23 VAL MG2 1 38 GLU HB2 . . 4.400 3.807 3.250 4.109 . 0 0 "[ . 1 . 2]" 2
611 1 22 CYS HA 1 23 VAL MG1 . . 4.030 3.849 3.782 3.915 . 0 0 "[ . 1 . 2]" 2
612 1 22 CYS HA 1 41 CYS H . . 4.820 3.945 3.904 4.009 . 0 0 "[ . 1 . 2]" 2
613 1 22 CYS HB3 1 45 CYS HB3 . . 5.430 5.374 5.296 5.409 . 0 0 "[ . 1 . 2]" 2
614 1 21 ILE HA 1 21 ILE HG13 . . 3.960 2.738 2.674 2.836 . 0 0 "[ . 1 . 2]" 2
615 1 21 ILE HA 1 22 CYS HA . . 4.500 4.309 4.306 4.311 . 0 0 "[ . 1 . 2]" 2
616 1 21 ILE HB 1 26 GLY HA2 . . 4.720 4.714 4.635 4.744 0.024 19 0 "[ . 1 . 2]" 2
617 1 21 ILE HG12 1 28 TYR HB2 . . 4.810 4.150 4.026 4.293 . 0 0 "[ . 1 . 2]" 2
618 1 21 ILE HG12 1 26 GLY HA2 . . 5.500 5.521 5.511 5.527 0.027 7 0 "[ . 1 . 2]" 2
619 1 21 ILE HG12 1 28 TYR QD . . 5.050 3.795 3.657 3.949 . 0 0 "[ . 1 . 2]" 2
620 1 21 ILE MG 1 22 CYS HA . . 4.270 4.041 4.031 4.050 . 0 0 "[ . 1 . 2]" 2
621 1 20 PRO HA 1 21 ILE HB . . 4.770 4.536 4.508 4.559 . 0 0 "[ . 1 . 2]" 2
622 1 20 PRO HA 1 21 ILE HG13 . . 4.780 3.623 3.572 3.704 . 0 0 "[ . 1 . 2]" 2
623 1 20 PRO HA 1 29 GLY H . . 4.950 4.642 4.596 4.725 . 0 0 "[ . 1 . 2]" 2
624 1 19 GLU HA 1 20 PRO HG3 . . 4.670 4.541 4.534 4.559 . 0 0 "[ . 1 . 2]" 2
625 1 19 GLU HA 1 20 PRO HG2 . . 4.810 4.603 4.595 4.625 . 0 0 "[ . 1 . 2]" 2
626 1 20 PRO HD2 1 28 TYR QD . . 4.420 4.008 3.952 4.043 . 0 0 "[ . 1 . 2]" 2
627 1 19 GLU H 1 20 PRO HD2 . . 5.030 4.744 4.736 4.754 . 0 0 "[ . 1 . 2]" 2
628 1 19 GLU HB2 1 20 PRO HD2 . . 4.390 3.620 3.575 3.654 . 0 0 "[ . 1 . 2]" 2
629 1 16 GLU HG2 1 17 PRO HD3 . . 4.710 3.791 2.885 4.625 . 0 0 "[ . 1 . 2]" 2
630 1 16 GLU HA 1 17 PRO HD3 . . 2.840 2.351 2.345 2.366 . 0 0 "[ . 1 . 2]" 2
631 1 19 GLU HB2 1 28 TYR QE . . 5.310 3.550 3.439 3.932 . 0 0 "[ . 1 . 2]" 2
632 1 16 GLU HA 1 17 PRO HD2 . . 3.020 2.519 2.508 2.545 . 0 0 "[ . 1 . 2]" 2
633 1 16 GLU HG3 1 17 PRO HD3 . . 4.710 3.781 2.890 4.685 . 0 0 "[ . 1 . 2]" 2
634 1 16 GLU H 1 16 GLU HG2 . . 4.990 4.076 2.787 4.467 . 0 0 "[ . 1 . 2]" 2
635 1 16 GLU H 1 16 GLU HG3 . . 4.990 3.488 2.883 3.989 . 0 0 "[ . 1 . 2]" 2
636 1 14 TRP HA 1 14 TRP HE3 . . 3.820 2.754 2.080 3.821 0.001 15 0 "[ . 1 . 2]" 2
637 1 13 ARG HG2 1 28 TYR HB3 . . 4.840 3.988 3.234 4.685 . 0 0 "[ . 1 . 2]" 2
638 1 13 ARG HG3 1 28 TYR HB2 . . 5.000 4.209 3.888 4.510 . 0 0 "[ . 1 . 2]" 2
639 1 12 GLN HA 1 41 CYS HB3 . . 4.380 3.696 3.505 3.918 . 0 0 "[ . 1 . 2]" 2
640 1 12 GLN HA 1 22 CYS HB2 . . 5.500 5.488 5.301 5.513 0.013 17 0 "[ . 1 . 2]" 2
641 1 12 GLN HB2 1 27 ARG HD3 . . 5.500 5.088 3.163 5.504 0.004 17 0 "[ . 1 . 2]" 2
642 1 12 GLN HB3 1 27 ARG HD3 . . 5.500 4.578 2.071 5.225 . 0 0 "[ . 1 . 2]" 2
643 1 12 GLN HB2 1 27 ARG HD2 . . 5.500 4.589 4.094 5.500 0.000 17 0 "[ . 1 . 2]" 2
644 1 12 GLN HB3 1 27 ARG HD2 . . 5.500 4.283 2.825 5.113 . 0 0 "[ . 1 . 2]" 2
645 1 32 ILE HB 1 33 CYS H . . 5.170 4.225 4.184 4.262 . 0 0 "[ . 1 . 2]" 2
646 1 35 LYS HA 1 35 LYS HG2 . . 4.220 2.981 2.384 3.461 . 0 0 "[ . 1 . 2]" 2
647 1 33 CYS HB2 1 50 LEU HG . . 5.500 5.048 4.611 5.274 . 0 0 "[ . 1 . 2]" 2
648 1 40 VAL HA 1 41 CYS HB3 . . 4.800 4.394 4.318 4.443 . 0 0 "[ . 1 . 2]" 2
649 1 23 VAL MG2 1 40 VAL HA . . 4.620 3.933 3.834 4.023 . 0 0 "[ . 1 . 2]" 2
650 1 22 CYS HB2 1 40 VAL HB . . 5.500 5.526 5.499 5.551 0.051 13 0 "[ . 1 . 2]" 2
651 1 40 VAL HB 1 41 CYS HB3 . . 5.500 5.189 5.102 5.221 . 0 0 "[ . 1 . 2]" 2
652 1 40 VAL MG1 1 45 CYS H . . 5.130 4.272 4.230 4.340 . 0 0 "[ . 1 . 2]" 2
653 1 40 VAL MG1 1 47 ALA H . . 5.500 4.805 4.740 4.876 . 0 0 "[ . 1 . 2]" 2
654 1 40 VAL MG1 1 42 SER H . . 4.880 4.269 4.229 4.293 . 0 0 "[ . 1 . 2]" 2
655 1 32 ILE HA 1 40 VAL MG1 . . 5.260 4.940 4.865 5.064 . 0 0 "[ . 1 . 2]" 2
656 1 40 VAL MG1 1 49 HIS HA . . 5.500 5.570 5.502 5.622 0.122 20 0 "[ . 1 . 2]" 2
657 1 33 CYS HB2 1 40 VAL MG1 . . 4.980 4.687 4.482 4.933 . 0 0 "[ . 1 . 2]" 2
658 1 40 VAL MG2 1 46 LYS HD2 . . 4.350 3.832 3.460 4.126 . 0 0 "[ . 1 . 2]" 2
659 1 40 VAL MG2 1 43 LEU HA . . 4.550 3.842 3.633 4.033 . 0 0 "[ . 1 . 2]" 2
660 1 39 ASP HA 1 40 VAL MG2 . . 5.170 3.437 3.308 3.527 . 0 0 "[ . 1 . 2]" 2
661 1 40 VAL MG2 1 45 CYS H . . 5.210 4.708 4.626 4.846 . 0 0 "[ . 1 . 2]" 2
662 1 40 VAL MG2 1 47 ALA H . . 5.500 5.086 4.756 5.151 . 0 0 "[ . 1 . 2]" 2
663 1 40 VAL MG2 1 41 CYS H . . 4.790 3.667 3.539 3.704 . 0 0 "[ . 1 . 2]" 2
664 1 23 VAL H 1 40 VAL MG2 . . 5.500 5.244 5.191 5.306 . 0 0 "[ . 1 . 2]" 2
665 1 31 TYR QE 1 42 SER HB3 . . 5.400 5.126 4.640 5.392 . 0 0 "[ . 1 . 2]" 2
666 1 30 GLU HG2 1 31 TYR QE . . 5.250 3.896 3.039 5.251 0.001 19 0 "[ . 1 . 2]" 2
667 1 31 TYR QE 1 43 LEU MD1 . . 5.430 4.974 4.653 5.336 . 0 0 "[ . 1 . 2]" 2
668 1 21 ILE HA 1 28 TYR QD . . 4.630 3.714 3.538 4.020 . 0 0 "[ . 1 . 2]" 2
669 1 28 TYR QD 1 31 TYR H . . 5.500 5.528 5.513 5.561 0.061 18 0 "[ . 1 . 2]" 2
670 1 19 GLU HB3 1 28 TYR QD . . 3.700 2.846 2.736 3.088 . 0 0 "[ . 1 . 2]" 2
671 1 8 PHE HA 1 8 PHE QD . . 3.990 2.806 2.152 3.726 . 0 0 "[ . 1 . 2]" 2
672 1 19 GLU HA 1 20 PRO HD3 . . 2.860 2.347 2.342 2.361 . 0 0 "[ . 1 . 2]" 2
673 1 21 ILE MG 1 26 GLY H . . 4.030 3.306 3.270 3.331 . 0 0 "[ . 1 . 2]" 2
674 1 21 ILE MG 1 28 TYR QD . . 4.990 4.697 4.601 4.878 . 0 0 "[ . 1 . 2]" 2
675 1 43 LEU HB3 1 43 LEU MD1 . . 3.310 2.324 2.226 2.403 . 0 0 "[ . 1 . 2]" 2
676 1 43 LEU MD1 1 46 LYS HB3 . . 5.500 5.562 5.544 5.609 0.109 8 0 "[ . 1 . 2]" 2
677 1 43 LEU HB2 1 43 LEU MD1 . . 3.310 2.380 2.292 2.493 . 0 0 "[ . 1 . 2]" 2
678 1 24 VAL HB 1 45 CYS HA . . 4.820 4.639 4.535 4.771 . 0 0 "[ . 1 . 2]" 2
679 1 24 VAL MG1 1 45 CYS HA . . 3.890 3.440 3.339 3.611 . 0 0 "[ . 1 . 2]" 2
680 1 46 LYS HA 1 49 HIS HB2 . . 5.090 4.729 4.662 4.764 . 0 0 "[ . 1 . 2]" 2
681 1 47 ALA HA 1 50 LEU HA . . 5.310 4.950 4.912 5.012 . 0 0 "[ . 1 . 2]" 2
682 1 50 LEU HA 1 51 LEU HA . . 5.500 4.754 4.712 4.762 . 0 0 "[ . 1 . 2]" 2
683 1 54 LYS HA 1 54 LYS HG2 . . 4.090 2.825 2.549 3.313 . 0 0 "[ . 1 . 2]" 2
684 1 54 LYS H 1 54 LYS HG2 . . 4.830 2.555 2.099 4.003 . 0 0 "[ . 1 . 2]" 2
685 1 35 LYS HA 1 35 LYS HG3 . . 4.220 2.502 2.134 3.209 . 0 0 "[ . 1 . 2]" 2
686 1 54 LYS HA 1 54 LYS HG3 . . 4.090 3.607 2.380 3.789 . 0 0 "[ . 1 . 2]" 2
687 1 40 VAL MG1 1 46 LYS HB2 . . 4.200 3.355 3.265 3.448 . 0 0 "[ . 1 . 2]" 2
688 1 22 CYS HB2 1 41 CYS HB3 . . 3.400 3.042 2.997 3.084 . 0 0 "[ . 1 . 2]" 2
689 1 43 LEU MD2 1 46 LYS HB2 . . 4.550 3.829 3.424 4.012 . 0 0 "[ . 1 . 2]" 2
690 1 46 LYS HB3 1 46 LYS HD2 . . 3.820 3.676 2.486 3.832 0.012 16 0 "[ . 1 . 2]" 2
691 1 36 THR MG 1 50 LEU HA . . 4.600 3.607 3.380 3.913 . 0 0 "[ . 1 . 2]" 2
692 1 13 ARG HA 1 14 TRP HD1 . . 5.500 5.190 4.498 5.520 0.020 17 0 "[ . 1 . 2]" 2
693 1 14 TRP HA 1 14 TRP HD1 . . 5.150 4.471 4.291 4.596 . 0 0 "[ . 1 . 2]" 2
694 1 43 LEU HA 1 43 LEU HG . . 3.790 3.060 2.828 3.323 . 0 0 "[ . 1 . 2]" 2
695 1 40 VAL MG1 1 49 HIS HB2 . . 3.830 3.795 3.766 3.832 0.002 20 0 "[ . 1 . 2]" 2
696 1 26 GLY H 1 41 CYS HB3 . . 5.500 5.522 5.508 5.533 0.033 8 0 "[ . 1 . 2]" 2
697 1 42 SER HB2 1 45 CYS HB2 . . 5.320 3.787 3.730 3.860 . 0 0 "[ . 1 . 2]" 2
698 1 42 SER HB3 1 45 CYS HB2 . . 5.370 5.179 4.963 5.289 . 0 0 "[ . 1 . 2]" 2
699 1 43 LEU MD2 1 46 LYS HB3 . . 4.250 3.633 3.268 4.021 . 0 0 "[ . 1 . 2]" 2
700 1 44 GLU HG2 1 48 LYS HD2 . . 5.180 2.810 2.476 3.149 . 0 0 "[ . 1 . 2]" 2
701 1 44 GLU HG3 1 48 LYS HD2 . . 5.080 3.907 3.531 4.395 . 0 0 "[ . 1 . 2]" 2
702 1 44 GLU HG3 1 47 ALA MB . . 4.850 4.742 4.600 4.846 . 0 0 "[ . 1 . 2]" 2
703 1 42 SER H 1 45 CYS HA . . 5.400 5.325 5.232 5.419 0.019 2 0 "[ . 1 . 2]" 2
704 1 44 GLU HB3 1 45 CYS HA . . 4.930 4.345 4.301 4.410 . 0 0 "[ . 1 . 2]" 2
705 1 44 GLU HB3 1 45 CYS HB2 . . 5.200 5.058 4.973 5.124 . 0 0 "[ . 1 . 2]" 2
706 1 45 CYS HB2 1 48 LYS H . . 5.500 5.445 5.356 5.479 . 0 0 "[ . 1 . 2]" 2
707 1 45 CYS HB3 1 48 LYS H . . 5.500 5.271 5.213 5.315 . 0 0 "[ . 1 . 2]" 2
708 1 46 LYS HA 1 50 LEU H . . 5.100 4.377 4.303 4.401 . 0 0 "[ . 1 . 2]" 2
709 1 47 ALA MB 1 50 LEU H . . 4.690 4.437 4.392 4.530 . 0 0 "[ . 1 . 2]" 2
710 1 24 VAL HB 1 48 LYS HB2 . . 5.500 5.078 4.980 5.229 . 0 0 "[ . 1 . 2]" 2
711 1 24 VAL HB 1 48 LYS HB3 . . 5.500 4.187 3.981 4.346 . 0 0 "[ . 1 . 2]" 2
712 1 45 CYS HA 1 48 LYS HG2 . . 4.840 4.612 4.569 4.647 . 0 0 "[ . 1 . 2]" 2
713 1 45 CYS HA 1 48 LYS HG3 . . 4.840 3.575 3.450 3.664 . 0 0 "[ . 1 . 2]" 2
714 1 48 LYS H 1 48 LYS HD2 . . 5.400 5.259 5.142 5.368 . 0 0 "[ . 1 . 2]" 2
715 1 48 LYS H 1 48 LYS HD3 . . 5.500 4.561 4.447 4.719 . 0 0 "[ . 1 . 2]" 2
716 1 49 HIS HB3 1 50 LEU MD2 . . 5.210 3.888 3.722 4.044 . 0 0 "[ . 1 . 2]" 2
717 1 47 ALA HA 1 50 LEU HG . . 5.090 3.089 3.042 3.162 . 0 0 "[ . 1 . 2]" 2
718 1 49 HIS HD2 1 50 LEU HG . . 5.100 3.851 3.803 3.917 . 0 0 "[ . 1 . 2]" 2
719 1 50 LEU HG 1 51 LEU H . . 5.260 4.309 4.264 4.340 . 0 0 "[ . 1 . 2]" 2
720 1 49 HIS H 1 50 LEU HG . . 5.420 4.046 3.990 4.070 . 0 0 "[ . 1 . 2]" 2
721 1 50 LEU MD1 1 51 LEU H . . 5.090 4.319 4.284 4.460 . 0 0 "[ . 1 . 2]" 2
722 1 51 LEU HA 1 53 VAL H . . 5.180 4.093 3.750 4.278 . 0 0 "[ . 1 . 2]" 2
723 1 48 LYS HE3 1 51 LEU MD2 . . 4.470 4.308 3.951 4.471 0.001 11 0 "[ . 1 . 2]" 2
724 1 51 LEU H 1 52 GLN HA . . 5.300 5.203 5.115 5.215 . 0 0 "[ . 1 . 2]" 2
725 1 50 LEU H 1 53 VAL HB . . 5.500 5.473 5.367 5.532 0.032 19 0 "[ . 1 . 2]" 2
726 1 50 LEU HA 1 53 VAL MG1 . . 4.520 4.349 4.253 4.398 . 0 0 "[ . 1 . 2]" 2
727 1 54 LYS HA 1 54 LYS HE2 . . 5.500 4.662 3.777 5.256 . 0 0 "[ . 1 . 2]" 2
728 1 54 LYS HA 1 54 LYS HE3 . . 5.500 4.660 3.431 5.346 . 0 0 "[ . 1 . 2]" 2
729 1 21 ILE H 1 39 ASP HB2 . . 5.330 2.871 2.761 3.093 . 0 0 "[ . 1 . 2]" 2
730 1 23 VAL MG1 1 39 ASP HB3 . . 5.500 4.753 4.611 4.948 . 0 0 "[ . 1 . 2]" 2
731 1 39 ASP HB3 1 40 VAL MG2 . . 5.500 4.803 4.681 4.913 . 0 0 "[ . 1 . 2]" 2
732 1 23 VAL MG2 1 39 ASP HB3 . . 5.500 5.529 5.501 5.565 0.065 6 0 "[ . 1 . 2]" 2
733 1 20 PRO HG3 1 32 ILE HB . . 5.500 5.525 5.515 5.532 0.032 5 0 "[ . 1 . 2]" 2
734 1 20 PRO HG2 1 32 ILE MD . . 4.660 3.205 3.001 3.351 . 0 0 "[ . 1 . 2]" 2
735 1 20 PRO HG3 1 32 ILE MD . . 4.950 2.290 2.129 2.526 . 0 0 "[ . 1 . 2]" 2
736 1 27 ARG HB2 1 28 TYR HB2 . . 5.500 4.571 4.461 4.689 . 0 0 "[ . 1 . 2]" 2
737 1 27 ARG HB3 1 28 TYR HB2 . . 5.500 4.085 3.998 4.260 . 0 0 "[ . 1 . 2]" 2
738 1 27 ARG HB2 1 28 TYR HB3 . . 5.500 3.949 3.822 4.024 . 0 0 "[ . 1 . 2]" 2
739 1 27 ARG HB3 1 28 TYR HB3 . . 5.500 3.906 3.794 4.023 . 0 0 "[ . 1 . 2]" 2
740 1 20 PRO HD3 1 28 TYR QD . . 5.500 5.504 5.466 5.522 0.022 18 0 "[ . 1 . 2]" 2
741 1 15 ALA MB 1 27 ARG HA . . 4.690 4.341 4.130 4.561 . 0 0 "[ . 1 . 2]" 2
742 1 22 CYS HB2 1 27 ARG HB2 . . 5.080 4.074 4.010 4.144 . 0 0 "[ . 1 . 2]" 2
743 1 27 ARG HA 1 27 ARG HD2 . . 4.910 3.260 2.249 4.215 . 0 0 "[ . 1 . 2]" 2
744 1 24 VAL HA 1 48 LYS HE2 . . 5.500 5.342 5.083 5.501 0.001 5 0 "[ . 1 . 2]" 2
745 1 23 VAL HA 1 23 VAL HB . . 2.710 2.517 2.502 2.537 . 0 0 "[ . 1 . 2]" 2
746 1 23 VAL HA 1 23 VAL MG1 . . 3.000 2.223 2.156 2.324 . 0 0 "[ . 1 . 2]" 2
747 1 20 PRO HG3 1 21 ILE H . . 5.500 5.407 5.328 5.501 0.001 18 0 "[ . 1 . 2]" 2
748 1 20 PRO HG3 1 29 GLY H . . 5.500 4.878 4.809 5.000 . 0 0 "[ . 1 . 2]" 2
749 1 19 GLU HB2 1 20 PRO HD3 . . 4.980 4.690 4.665 4.706 . 0 0 "[ . 1 . 2]" 2
750 1 11 THR HA 1 12 GLN QG . . 4.640 4.254 3.702 4.644 0.004 2 0 "[ . 1 . 2]" 2
751 1 12 GLN QG 1 41 CYS HB3 . . 4.060 3.217 2.705 3.560 . 0 0 "[ . 1 . 2]" 2
752 1 13 ARG H 1 13 ARG QB . . 3.430 2.682 2.456 3.140 . 0 0 "[ . 1 . 2]" 2
753 1 13 ARG H 1 13 ARG QG . . 3.420 2.111 1.941 2.258 . 0 0 "[ . 1 . 2]" 2
754 1 13 ARG QB 1 13 ARG QD . . 3.000 2.106 2.005 2.343 . 0 0 "[ . 1 . 2]" 2
755 1 13 ARG QB 1 14 TRP H . . 3.230 2.326 1.947 2.843 . 0 0 "[ . 1 . 2]" 2
756 1 13 ARG QG 1 14 TRP H . . 4.490 3.348 2.957 3.828 . 0 0 "[ . 1 . 2]" 2
757 1 13 ARG QG 1 28 TYR HB2 . . 4.150 3.796 3.495 4.107 . 0 0 "[ . 1 . 2]" 2
758 1 13 ARG QG 1 28 TYR HB3 . . 4.230 3.701 3.150 4.236 0.006 13 0 "[ . 1 . 2]" 2
759 1 13 ARG QG 1 28 TYR QD . . 4.770 4.058 3.329 4.709 . 0 0 "[ . 1 . 2]" 2
760 1 14 TRP H 1 14 TRP QB . . 3.200 2.332 2.046 2.610 . 0 0 "[ . 1 . 2]" 2
761 1 14 TRP QB 1 14 TRP HD1 . . 3.420 2.563 2.495 2.721 . 0 0 "[ . 1 . 2]" 2
762 1 14 TRP QB 1 14 TRP HE3 . . 3.650 2.744 2.434 2.995 . 0 0 "[ . 1 . 2]" 2
763 1 14 TRP QB 1 15 ALA H . . 4.460 2.762 2.019 3.455 . 0 0 "[ . 1 . 2]" 2
764 1 15 ALA MB 1 19 GLU QG . . 4.440 4.057 3.752 4.431 . 0 0 "[ . 1 . 2]" 2
765 1 16 GLU H 1 16 GLU QG . . 4.370 3.253 2.737 3.691 . 0 0 "[ . 1 . 2]" 2
766 1 16 GLU H 1 19 GLU QG . . 5.160 4.215 3.585 4.846 . 0 0 "[ . 1 . 2]" 2
767 1 16 GLU HA 1 16 GLU QG . . 3.230 2.184 2.034 2.738 . 0 0 "[ . 1 . 2]" 2
768 1 16 GLU HA 1 17 PRO QG . . 4.210 4.078 4.071 4.095 . 0 0 "[ . 1 . 2]" 2
769 1 16 GLU QB 1 17 PRO HD2 . . 2.890 2.107 1.954 2.238 . 0 0 "[ . 1 . 2]" 2
770 1 16 GLU QB 1 17 PRO HD3 . . 3.670 3.442 3.332 3.534 . 0 0 "[ . 1 . 2]" 2
771 1 16 GLU QB 1 19 GLU HB2 . . 3.680 3.084 2.463 3.686 0.006 15 0 "[ . 1 . 2]" 2
772 1 16 GLU QB 1 19 GLU QG . . 4.170 3.618 2.862 4.176 0.006 20 0 "[ . 1 . 2]" 2
773 1 16 GLU QG 1 17 PRO HD2 . . 3.450 2.295 2.003 3.155 . 0 0 "[ . 1 . 2]" 2
774 1 16 GLU QG 1 17 PRO HD3 . . 3.890 3.115 2.849 4.142 0.252 11 0 "[ . 1 . 2]" 2
775 1 19 GLU H 1 19 GLU QG . . 3.770 3.489 3.021 3.779 0.009 7 0 "[ . 1 . 2]" 2
776 1 19 GLU HA 1 19 GLU QG . . 3.060 2.421 2.069 2.745 . 0 0 "[ . 1 . 2]" 2
777 1 19 GLU QG 1 20 PRO HD3 . . 4.370 3.324 2.865 4.214 . 0 0 "[ . 1 . 2]" 2
778 1 19 GLU QG 1 28 TYR QD . . 4.690 4.230 3.906 4.704 0.014 20 0 "[ . 1 . 2]" 2
779 1 20 PRO QB 1 29 GLY H . . 4.470 3.416 3.364 3.531 . 0 0 "[ . 1 . 2]" 2
780 1 20 PRO QB 1 39 ASP HB2 . . 4.280 3.057 2.883 3.256 . 0 0 "[ . 1 . 2]" 2
781 1 20 PRO QB 1 39 ASP HB3 . . 4.950 2.001 1.978 2.086 . 0 0 "[ . 1 . 2]" 2
782 1 22 CYS HB3 1 24 VAL QG . . 4.040 3.492 3.350 3.532 . 0 0 "[ . 1 . 2]" 2
783 1 23 VAL H 1 24 VAL QG . . 4.900 3.113 3.074 3.183 . 0 0 "[ . 1 . 2]" 2
784 1 23 VAL MG1 1 38 GLU QB . . 3.670 2.752 1.949 3.347 . 0 0 "[ . 1 . 2]" 2
785 1 23 VAL MG1 1 38 GLU QG . . 4.360 2.114 1.849 2.610 . 0 0 "[ . 1 . 2]" 2
786 1 23 VAL MG2 1 24 VAL QG . . 3.290 2.086 1.979 2.310 . 0 0 "[ . 1 . 2]" 2
787 1 23 VAL MG2 1 38 GLU QB . . 3.570 2.785 2.357 3.090 . 0 0 "[ . 1 . 2]" 2
788 1 23 VAL MG2 1 38 GLU QG . . 4.490 2.420 2.091 2.814 . 0 0 "[ . 1 . 2]" 2
789 1 24 VAL H 1 24 VAL QG . . 3.030 2.070 2.051 2.109 . 0 0 "[ . 1 . 2]" 2
790 1 24 VAL HA 1 24 VAL QG . . 2.770 2.295 2.208 2.336 . 0 0 "[ . 1 . 2]" 2
791 1 24 VAL QG 1 25 CYS H . . 3.470 2.177 2.027 2.256 . 0 0 "[ . 1 . 2]" 2
792 1 24 VAL QG 1 25 CYS HA . . 3.980 3.480 3.356 3.507 . 0 0 "[ . 1 . 2]" 2
793 1 24 VAL QG 1 25 CYS HB2 . . 3.640 3.445 3.388 3.467 . 0 0 "[ . 1 . 2]" 2
794 1 24 VAL QG 1 25 CYS HB3 . . 4.540 4.265 4.172 4.300 . 0 0 "[ . 1 . 2]" 2
795 1 24 VAL QG 1 26 GLY H . . 5.160 4.403 4.315 4.417 . 0 0 "[ . 1 . 2]" 2
796 1 24 VAL QG 1 40 VAL MG1 . . 3.750 2.761 2.710 2.861 . 0 0 "[ . 1 . 2]" 2
797 1 24 VAL QG 1 44 GLU HG2 . . 5.410 4.906 4.743 5.092 . 0 0 "[ . 1 . 2]" 2
798 1 24 VAL QG 1 45 CYS H . . 5.440 4.282 4.215 4.362 . 0 0 "[ . 1 . 2]" 2
799 1 24 VAL QG 1 45 CYS HA . . 2.830 2.481 2.394 2.573 . 0 0 "[ . 1 . 2]" 2
800 1 24 VAL QG 1 45 CYS HB3 . . 3.340 1.968 1.897 2.000 . 0 0 "[ . 1 . 2]" 2
801 1 24 VAL QG 1 46 LYS HA . . 5.340 4.702 4.623 4.753 . 0 0 "[ . 1 . 2]" 2
802 1 24 VAL QG 1 48 LYS H . . 4.630 4.427 4.386 4.471 . 0 0 "[ . 1 . 2]" 2
803 1 24 VAL QG 1 48 LYS HA . . 4.980 4.628 4.538 4.725 . 0 0 "[ . 1 . 2]" 2
804 1 24 VAL QG 1 48 LYS QB . . 3.170 2.491 2.396 2.585 . 0 0 "[ . 1 . 2]" 2
805 1 24 VAL QG 1 48 LYS QG . . 4.090 4.030 3.904 4.098 0.008 12 0 "[ . 1 . 2]" 2
806 1 24 VAL QG 1 48 LYS HD3 . . 3.220 3.077 2.807 3.225 0.005 6 0 "[ . 1 . 2]" 2
807 1 24 VAL QG 1 48 LYS HE2 . . 4.580 3.033 2.757 3.364 . 0 0 "[ . 1 . 2]" 2
808 1 24 VAL QG 1 49 HIS H . . 3.600 3.623 3.578 3.647 0.047 8 0 "[ . 1 . 2]" 2
809 1 24 VAL QG 1 49 HIS HA . . 3.490 3.372 3.289 3.502 0.012 8 0 "[ . 1 . 2]" 2
810 1 24 VAL QG 1 49 HIS HB2 . . 3.230 2.518 2.445 2.561 . 0 0 "[ . 1 . 2]" 2
811 1 24 VAL QG 1 49 HIS HB3 . . 3.730 3.707 3.646 3.738 0.008 19 0 "[ . 1 . 2]" 2
812 1 24 VAL QG 1 49 HIS HD2 . . 5.440 5.457 5.442 5.475 0.035 19 0 "[ . 1 . 2]" 2
813 1 24 VAL QG 1 49 HIS HE1 . . 5.440 5.323 5.089 5.438 . 0 0 "[ . 1 . 2]" 2
814 1 24 VAL QG 1 52 GLN QB . . 5.020 4.413 4.120 4.626 . 0 0 "[ . 1 . 2]" 2
815 1 25 CYS HB3 1 27 ARG QG . . 5.200 3.308 3.043 4.078 . 0 0 "[ . 1 . 2]" 2
816 1 25 CYS HB3 1 27 ARG QD . . 5.340 4.769 2.022 5.344 0.004 16 0 "[ . 1 . 2]" 2
817 1 26 GLY HA2 1 27 ARG QG . . 5.330 4.369 4.239 4.572 . 0 0 "[ . 1 . 2]" 2
818 1 26 GLY HA3 1 27 ARG QG . . 4.220 3.844 3.742 4.023 . 0 0 "[ . 1 . 2]" 2
819 1 27 ARG H 1 27 ARG QG . . 3.400 3.088 2.907 3.405 0.005 15 0 "[ . 1 . 2]" 2
820 1 27 ARG HA 1 27 ARG QG . . 3.590 2.750 2.357 2.898 . 0 0 "[ . 1 . 2]" 2
821 1 27 ARG HA 1 27 ARG QD . . 4.210 2.534 1.991 3.962 . 0 0 "[ . 1 . 2]" 2
822 1 27 ARG QG 1 28 TYR H . . 4.470 3.792 3.676 4.057 . 0 0 "[ . 1 . 2]" 2
823 1 27 ARG QD 1 28 TYR H . . 5.060 4.457 3.530 4.693 . 0 0 "[ . 1 . 2]" 2
824 1 28 TYR QD 1 30 GLU QB . . 4.180 2.787 2.664 3.111 . 0 0 "[ . 1 . 2]" 2
825 1 28 TYR QD 1 30 GLU QG . . 5.040 4.238 3.203 4.562 . 0 0 "[ . 1 . 2]" 2
826 1 28 TYR QE 1 30 GLU QB . . 4.050 2.128 1.938 3.118 . 0 0 "[ . 1 . 2]" 2
827 1 28 TYR QE 1 30 GLU QG . . 4.110 2.519 1.989 4.069 . 0 0 "[ . 1 . 2]" 2
828 1 29 GLY QA 1 39 ASP HB2 . . 4.620 3.104 2.692 3.441 . 0 0 "[ . 1 . 2]" 2
829 1 29 GLY QA 1 39 ASP HB3 . . 5.000 2.007 1.981 2.103 . 0 0 "[ . 1 . 2]" 2
830 1 30 GLU QB 1 31 TYR QD . . 4.410 3.707 2.928 4.407 . 0 0 "[ . 1 . 2]" 2
831 1 30 GLU QB 1 31 TYR QE . . 5.340 3.828 2.870 4.555 . 0 0 "[ . 1 . 2]" 2
832 1 30 GLU QG 1 31 TYR QD . . 5.040 3.742 2.874 4.640 . 0 0 "[ . 1 . 2]" 2
833 1 30 GLU QG 1 31 TYR QE . . 4.420 3.543 3.005 4.417 . 0 0 "[ . 1 . 2]" 2
834 1 31 TYR H 1 31 TYR QB . . 3.460 2.570 2.454 2.798 . 0 0 "[ . 1 . 2]" 2
835 1 31 TYR QB 1 32 ILE H . . 3.460 2.760 2.629 2.961 . 0 0 "[ . 1 . 2]" 2
836 1 31 TYR QB 1 40 VAL MG2 . . 3.140 1.936 1.895 1.988 . 0 0 "[ . 1 . 2]" 2
837 1 31 TYR QB 1 43 LEU HA . . 5.340 4.957 4.755 5.272 . 0 0 "[ . 1 . 2]" 2
838 1 31 TYR QB 1 43 LEU MD2 . . 4.160 4.049 3.751 4.166 0.006 16 0 "[ . 1 . 2]" 2
839 1 32 ILE H 1 32 ILE QG . . 3.920 3.572 3.508 3.631 . 0 0 "[ . 1 . 2]" 2
840 1 32 ILE HA 1 32 ILE QG . . 3.670 2.234 2.200 2.256 . 0 0 "[ . 1 . 2]" 2
841 1 32 ILE QG 1 32 ILE MG . . 3.060 1.924 1.918 1.932 . 0 0 "[ . 1 . 2]" 2
842 1 32 ILE MG 1 37 ASP QB . . 3.990 3.210 3.144 3.300 . 0 0 "[ . 1 . 2]" 2
843 1 32 ILE QG 1 37 ASP HA . . 5.290 5.226 5.092 5.312 0.022 13 0 "[ . 1 . 2]" 2
844 1 32 ILE QG 1 37 ASP QB . . 5.180 5.210 5.192 5.228 0.048 7 0 "[ . 1 . 2]" 2
845 1 33 CYS HA 1 46 LYS QD . . 4.590 3.553 3.284 4.416 . 0 0 "[ . 1 . 2]" 2
846 1 33 CYS HB2 1 38 GLU QB . . 5.270 3.398 3.129 3.617 . 0 0 "[ . 1 . 2]" 2
847 1 33 CYS HB2 1 46 LYS QD . . 4.990 3.876 3.582 4.610 . 0 0 "[ . 1 . 2]" 2
848 1 35 LYS HA 1 35 LYS QG . . 3.610 2.324 2.097 2.479 . 0 0 "[ . 1 . 2]" 2
849 1 35 LYS HA 1 35 LYS QD . . 4.550 3.903 3.540 4.099 . 0 0 "[ . 1 . 2]" 2
850 1 35 LYS QB 1 35 LYS QD . . 3.230 2.067 1.941 2.134 . 0 0 "[ . 1 . 2]" 2
851 1 35 LYS QB 1 35 LYS QE . . 4.580 3.452 2.412 3.663 . 0 0 "[ . 1 . 2]" 2
852 1 35 LYS QB 1 36 THR MG . . 3.880 3.027 2.501 3.460 . 0 0 "[ . 1 . 2]" 2
853 1 35 LYS QB 1 50 LEU MD1 . . 4.390 4.302 3.932 4.393 0.003 8 0 "[ . 1 . 2]" 2
854 1 35 LYS QD 1 50 LEU MD1 . . 4.040 3.787 3.210 4.045 0.005 9 0 "[ . 1 . 2]" 2
855 1 36 THR HB 1 38 GLU QG . . 4.280 3.345 2.023 4.301 0.021 13 0 "[ . 1 . 2]" 2
856 1 36 THR MG 1 38 GLU QG . . 4.480 4.070 3.250 4.539 0.059 4 0 "[ . 1 . 2]" 2
857 1 37 ASP HA 1 37 ASP QB . . 2.600 2.315 2.291 2.475 . 0 0 "[ . 1 . 2]" 2
858 1 38 GLU H 1 38 GLU QG . . 4.550 3.419 2.512 3.953 . 0 0 "[ . 1 . 2]" 2
859 1 38 GLU HA 1 38 GLU QG . . 3.720 2.575 2.292 2.989 . 0 0 "[ . 1 . 2]" 2
860 1 38 GLU QB 1 39 ASP H . . 3.240 2.087 1.919 2.212 . 0 0 "[ . 1 . 2]" 2
861 1 38 GLU QB 1 40 VAL MG1 . . 4.710 3.401 3.268 3.582 . 0 0 "[ . 1 . 2]" 2
862 1 38 GLU QB 1 49 HIS HD2 . . 5.340 3.063 2.747 3.543 . 0 0 "[ . 1 . 2]" 2
863 1 38 GLU QB 1 49 HIS HE1 . . 5.340 4.792 4.517 4.953 . 0 0 "[ . 1 . 2]" 2
864 1 38 GLU QG 1 39 ASP H . . 4.220 2.836 2.100 3.882 . 0 0 "[ . 1 . 2]" 2
865 1 38 GLU QG 1 49 HIS HE1 . . 3.940 3.223 2.827 3.389 . 0 0 "[ . 1 . 2]" 2
866 1 40 VAL MG2 1 46 LYS QG . . 3.930 3.547 2.174 3.773 . 0 0 "[ . 1 . 2]" 2
867 1 40 VAL MG2 1 46 LYS QD . . 3.580 3.287 3.209 3.384 . 0 0 "[ . 1 . 2]" 2
868 1 43 LEU H 1 43 LEU QB . . 3.470 2.303 2.138 2.453 . 0 0 "[ . 1 . 2]" 2
869 1 43 LEU HA 1 46 LYS QD . . 4.600 3.811 3.413 3.891 . 0 0 "[ . 1 . 2]" 2
870 1 43 LEU HA 1 46 LYS QE . . 5.340 5.109 4.827 5.357 0.017 14 0 "[ . 1 . 2]" 2
871 1 43 LEU QB 1 43 LEU MD2 . . 3.150 2.310 2.245 2.394 . 0 0 "[ . 1 . 2]" 2
872 1 43 LEU QB 1 44 GLU H . . 3.530 2.768 2.657 2.845 . 0 0 "[ . 1 . 2]" 2
873 1 43 LEU QB 1 44 GLU HA . . 4.530 3.881 3.837 3.914 . 0 0 "[ . 1 . 2]" 2
874 1 43 LEU QB 1 45 CYS H . . 5.340 4.700 4.642 4.765 . 0 0 "[ . 1 . 2]" 2
875 1 43 LEU MD1 1 46 LYS QD . . 5.340 5.296 4.828 5.353 0.013 13 0 "[ . 1 . 2]" 2
876 1 43 LEU MD2 1 46 LYS QD . . 4.590 3.157 2.522 3.447 . 0 0 "[ . 1 . 2]" 2
877 1 45 CYS H 1 48 LYS QB . . 5.020 4.207 4.183 4.230 . 0 0 "[ . 1 . 2]" 2
878 1 45 CYS HA 1 48 LYS QB . . 3.080 1.984 1.967 2.020 . 0 0 "[ . 1 . 2]" 2
879 1 45 CYS HA 1 48 LYS QG . . 4.120 3.459 3.357 3.530 . 0 0 "[ . 1 . 2]" 2
880 1 45 CYS HB3 1 48 LYS QB . . 4.350 3.938 3.897 3.976 . 0 0 "[ . 1 . 2]" 2
881 1 46 LYS H 1 46 LYS QG . . 4.680 3.932 3.856 3.952 . 0 0 "[ . 1 . 2]" 2
882 1 46 LYS H 1 46 LYS QD . . 4.530 4.391 4.357 4.409 . 0 0 "[ . 1 . 2]" 2
883 1 46 LYS HA 1 46 LYS QG . . 3.380 2.518 2.345 2.546 . 0 0 "[ . 1 . 2]" 2
884 1 46 LYS HA 1 46 LYS QE . . 5.340 4.885 4.344 4.958 . 0 0 "[ . 1 . 2]" 2
885 1 46 LYS HB3 1 46 LYS QE . . 4.690 3.430 3.084 4.033 . 0 0 "[ . 1 . 2]" 2
886 1 46 LYS QG 1 47 ALA H . . 4.550 2.801 2.672 3.594 . 0 0 "[ . 1 . 2]" 2
887 1 46 LYS QG 1 50 LEU MD2 . . 4.580 3.539 3.399 3.583 . 0 0 "[ . 1 . 2]" 2
888 1 46 LYS QD 1 50 LEU HG . . 4.540 4.540 4.411 4.561 0.021 9 0 "[ . 1 . 2]" 2
889 1 46 LYS QD 1 50 LEU MD1 . . 4.410 3.314 2.730 3.528 . 0 0 "[ . 1 . 2]" 2
890 1 46 LYS QD 1 50 LEU MD2 . . 4.620 4.513 4.456 4.628 0.008 8 0 "[ . 1 . 2]" 2
891 1 47 ALA H 1 48 LYS QB . . 5.340 4.363 4.308 4.407 . 0 0 "[ . 1 . 2]" 2
892 1 47 ALA MB 1 48 LYS QB . . 4.650 4.303 4.245 4.325 . 0 0 "[ . 1 . 2]" 2
893 1 48 LYS H 1 48 LYS QB . . 2.930 2.098 2.063 2.117 . 0 0 "[ . 1 . 2]" 2
894 1 48 LYS HA 1 48 LYS QG . . 3.270 2.155 2.099 2.191 . 0 0 "[ . 1 . 2]" 2
895 1 48 LYS QB 1 48 LYS HE2 . . 4.560 2.655 2.186 3.163 . 0 0 "[ . 1 . 2]" 2
896 1 48 LYS QB 1 48 LYS HE3 . . 4.550 2.572 2.025 2.880 . 0 0 "[ . 1 . 2]" 2
897 1 48 LYS QB 1 49 HIS H . . 3.450 2.912 2.885 2.950 . 0 0 "[ . 1 . 2]" 2
898 1 48 LYS HE3 1 48 LYS QG . . 3.540 2.158 2.033 2.401 . 0 0 "[ . 1 . 2]" 2
899 1 48 LYS QG 1 49 HIS H . . 4.740 4.502 4.486 4.537 . 0 0 "[ . 1 . 2]" 2
900 1 49 HIS HA 1 52 GLN QB . . 3.600 2.240 2.095 2.288 . 0 0 "[ . 1 . 2]" 2
901 1 49 HIS HD2 1 53 VAL QG . . 4.390 2.873 2.568 3.117 . 0 0 "[ . 1 . 2]" 2
902 1 49 HIS HE1 1 53 VAL QG . . 4.100 2.877 2.685 3.251 . 0 0 "[ . 1 . 2]" 2
903 1 50 LEU H 1 53 VAL QG . . 4.540 4.185 3.933 4.290 . 0 0 "[ . 1 . 2]" 2
904 1 50 LEU HA 1 53 VAL QG . . 3.420 2.689 2.314 2.854 . 0 0 "[ . 1 . 2]" 2
905 1 50 LEU HB3 1 53 VAL QG . . 5.280 4.674 4.356 4.802 . 0 0 "[ . 1 . 2]" 2
906 1 50 LEU MD2 1 53 VAL QG . . 3.300 3.235 2.984 3.307 0.007 10 0 "[ . 1 . 2]" 2
907 1 51 LEU H 1 53 VAL QG . . 4.990 4.941 4.642 5.001 0.011 13 0 "[ . 1 . 2]" 2
908 1 51 LEU HA 1 53 VAL QG . . 5.440 5.294 5.019 5.381 . 0 0 "[ . 1 . 2]" 2
909 1 51 LEU HA 1 54 LYS QG . . 4.080 2.892 2.060 4.085 0.005 9 0 "[ . 1 . 2]" 2
910 1 51 LEU MD2 1 52 GLN QB . . 4.700 2.812 2.742 2.849 . 0 0 "[ . 1 . 2]" 2
911 1 52 GLN H 1 52 GLN QB . . 3.000 2.186 2.182 2.202 . 0 0 "[ . 1 . 2]" 2
912 1 52 GLN H 1 53 VAL QG . . 4.620 3.769 3.607 3.814 . 0 0 "[ . 1 . 2]" 2
913 1 52 GLN HA 1 53 VAL QG . . 5.440 4.678 4.635 4.757 . 0 0 "[ . 1 . 2]" 2
914 1 52 GLN QB 1 53 VAL H . . 3.560 2.991 2.869 3.290 . 0 0 "[ . 1 . 2]" 2
915 1 52 GLN QB 1 53 VAL QG . . 4.630 3.254 3.190 3.455 . 0 0 "[ . 1 . 2]" 2
916 1 53 VAL H 1 53 VAL QG . . 2.980 2.452 2.308 2.539 . 0 0 "[ . 1 . 2]" 2
917 1 53 VAL H 1 55 GLU QG . . 5.340 4.600 4.126 4.869 . 0 0 "[ . 1 . 2]" 2
918 1 53 VAL HA 1 54 LYS QG . . 5.340 5.243 5.001 5.350 0.010 9 0 "[ . 1 . 2]" 2
919 1 53 VAL HA 1 56 LYS QB . . 4.640 3.559 2.155 4.569 . 0 0 "[ . 1 . 2]" 2
920 1 53 VAL HA 1 56 LYS QG . . 5.340 3.730 2.001 4.851 . 0 0 "[ . 1 . 2]" 2
921 1 53 VAL HB 1 54 LYS QG . . 5.320 3.655 3.199 3.931 . 0 0 "[ . 1 . 2]" 2
922 1 53 VAL QG 1 54 LYS H . . 3.750 3.418 3.387 3.448 . 0 0 "[ . 1 . 2]" 2
923 1 53 VAL QG 1 54 LYS HA . . 4.080 3.580 3.506 3.641 . 0 0 "[ . 1 . 2]" 2
924 1 53 VAL QG 1 54 LYS QG . . 5.280 3.868 3.492 4.213 . 0 0 "[ . 1 . 2]" 2
925 1 53 VAL QG 1 54 LYS QD . . 4.730 4.179 3.285 4.719 . 0 0 "[ . 1 . 2]" 2
926 1 53 VAL QG 1 55 GLU H . . 5.230 4.467 4.233 4.943 . 0 0 "[ . 1 . 2]" 2
927 1 53 VAL QG 1 55 GLU QG . . 4.850 4.305 3.822 4.853 0.003 5 0 "[ . 1 . 2]" 2
928 1 53 VAL QG 1 56 LYS QB . . 3.990 3.246 2.665 4.000 0.010 13 0 "[ . 1 . 2]" 2
929 1 53 VAL QG 1 56 LYS QG . . 4.600 3.380 2.210 4.257 . 0 0 "[ . 1 . 2]" 2
930 1 53 VAL QG 1 56 LYS QD . . 5.280 3.264 1.966 4.869 . 0 0 "[ . 1 . 2]" 2
931 1 53 VAL QG 1 56 LYS QE . . 4.450 3.371 1.856 4.361 . 0 0 "[ . 1 . 2]" 2
932 1 53 VAL QG 1 57 GLU H . . 5.440 4.562 3.367 5.399 . 0 0 "[ . 1 . 2]" 2
933 1 54 LYS H 1 54 LYS QG . . 3.970 2.391 2.084 2.798 . 0 0 "[ . 1 . 2]" 2
934 1 54 LYS H 1 54 LYS QD . . 4.820 3.694 2.225 4.182 . 0 0 "[ . 1 . 2]" 2
935 1 54 LYS HA 1 54 LYS QG . . 3.560 2.663 2.329 2.940 . 0 0 "[ . 1 . 2]" 2
936 1 54 LYS HA 1 54 LYS QD . . 3.810 2.493 1.969 3.817 0.007 19 0 "[ . 1 . 2]" 2
937 1 54 LYS HB3 1 54 LYS QE . . 4.760 3.270 2.009 4.210 . 0 0 "[ . 1 . 2]" 2
938 1 55 GLU H 1 55 GLU QB . . 3.080 2.408 2.296 2.680 . 0 0 "[ . 1 . 2]" 2
939 1 55 GLU H 1 55 GLU QG . . 3.700 2.359 2.034 2.554 . 0 0 "[ . 1 . 2]" 2
940 1 55 GLU HA 1 55 GLU QG . . 3.680 3.363 3.326 3.431 . 0 0 "[ . 1 . 2]" 2
941 1 55 GLU QB 1 56 LYS H . . 4.020 3.577 3.483 3.759 . 0 0 "[ . 1 . 2]" 2
942 1 55 GLU QG 1 56 LYS H . . 4.320 2.244 2.048 2.612 . 0 0 "[ . 1 . 2]" 2
943 1 55 GLU QG 1 56 LYS HA . . 4.010 3.436 3.111 3.849 . 0 0 "[ . 1 . 2]" 2
944 1 55 GLU QG 1 57 GLU H . . 4.710 4.506 4.026 4.709 . 0 0 "[ . 1 . 2]" 2
945 1 56 LYS H 1 56 LYS QB . . 3.070 2.300 2.060 2.736 . 0 0 "[ . 1 . 2]" 2
946 1 56 LYS HA 1 56 LYS QG . . 3.490 2.693 2.069 3.409 . 0 0 "[ . 1 . 2]" 2
947 1 56 LYS HA 1 56 LYS QD . . 4.660 3.673 2.537 4.357 . 0 0 "[ . 1 . 2]" 2
948 1 56 LYS QB 1 57 GLU H . . 3.940 3.007 2.512 3.619 . 0 0 "[ . 1 . 2]" 2
949 1 56 LYS QG 1 57 GLU H . . 4.890 3.492 1.993 4.527 . 0 0 "[ . 1 . 2]" 2
950 1 57 GLU H 1 57 GLU QB . . 3.190 2.338 2.053 3.002 . 0 0 "[ . 1 . 2]" 2
951 1 57 GLU H 1 57 GLU QG . . 4.480 3.440 2.014 4.034 . 0 0 "[ . 1 . 2]" 2
952 1 57 GLU HA 1 57 GLU QG . . 3.350 2.339 2.035 3.328 . 0 0 "[ . 1 . 2]" 2
953 1 58 GLU H 1 58 GLU QB . . 3.310 2.532 2.062 3.365 0.055 13 0 "[ . 1 . 2]" 2
954 1 58 GLU H 1 58 GLU QG . . 4.600 3.647 2.463 4.155 . 0 0 "[ . 1 . 2]" 2
955 1 58 GLU HA 1 58 GLU QG . . 3.410 2.270 2.046 2.576 . 0 0 "[ . 1 . 2]" 2
956 1 59 LYS H 1 59 LYS QB . . 3.640 2.514 2.059 3.235 . 0 0 "[ . 1 . 2]" 2
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