NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507540 |
2emw   |
10225 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2emw
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 101
_Distance_constraint_stats_list.Viol_total 2.922
_Distance_constraint_stats_list.Viol_max 0.004
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0014
_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 13 CYS 0.069 0.004 7 0 "[ . 1 . 2]"
1 16 CYS 0.032 0.004 17 0 "[ . 1 . 2]"
1 29 HIS 0.041 0.004 17 0 "[ . 1 . 2]"
1 33 HIS 0.061 0.004 17 0 "[ . 1 . 2]"
2 1 ZN 0.090 0.004 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 CYS SG 2 1 ZN ZN . 2.330 2.370 2.332 2.326 2.357 0.004 7 0 "[ . 1 . 2]" 1
2 1 16 CYS SG 2 1 ZN ZN . 2.330 2.370 2.333 2.326 2.369 0.004 17 0 "[ . 1 . 2]" 1
3 1 29 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.330 2.326 2.341 0.004 17 0 "[ . 1 . 2]" 1
4 1 33 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.332 2.327 2.364 0.003 9 0 "[ . 1 . 2]" 1
5 1 13 CYS CB 2 1 ZN ZN . 3.250 3.510 3.278 3.247 3.419 0.003 15 0 "[ . 1 . 2]" 1
6 1 16 CYS CB 2 1 ZN ZN . 3.250 3.510 3.308 3.248 3.489 0.002 7 0 "[ . 1 . 2]" 1
7 1 13 CYS SG 1 16 CYS SG . 3.200 4.000 3.975 3.880 4.002 0.002 16 0 "[ . 1 . 2]" 1
8 1 13 CYS SG 1 29 HIS NE2 . 3.200 4.000 3.953 3.818 4.003 0.003 7 0 "[ . 1 . 2]" 1
9 1 13 CYS SG 1 33 HIS NE2 . 3.200 4.000 3.986 3.891 4.004 0.004 6 0 "[ . 1 . 2]" 1
10 1 16 CYS SG 1 29 HIS NE2 . 3.200 4.000 3.653 3.200 3.890 0.000 18 0 "[ . 1 . 2]" 1
11 1 16 CYS SG 1 33 HIS NE2 . 3.200 4.000 3.774 3.541 3.971 . 0 0 "[ . 1 . 2]" 1
12 1 29 HIS NE2 1 33 HIS NE2 . 3.200 4.000 3.309 3.196 3.804 0.004 17 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 665
_Distance_constraint_stats_list.Viol_count 335
_Distance_constraint_stats_list.Viol_total 125.673
_Distance_constraint_stats_list.Viol_max 0.098
_Distance_constraint_stats_list.Viol_rms 0.0047
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0188
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.005 0.003 5 0 "[ . 1 . 2]"
1 9 LYS 0.311 0.091 18 0 "[ . 1 . 2]"
1 10 PRO 0.293 0.091 18 0 "[ . 1 . 2]"
1 11 TYR 0.171 0.034 18 0 "[ . 1 . 2]"
1 12 GLY 0.083 0.030 18 0 "[ . 1 . 2]"
1 13 CYS 0.037 0.011 4 0 "[ . 1 . 2]"
1 14 ASN 0.099 0.030 11 0 "[ . 1 . 2]"
1 15 GLU 0.107 0.030 11 0 "[ . 1 . 2]"
1 16 CYS 0.059 0.010 9 0 "[ . 1 . 2]"
1 17 GLY 0.016 0.008 7 0 "[ . 1 . 2]"
1 18 LYS 1.219 0.095 17 0 "[ . 1 . 2]"
1 19 ASP 0.708 0.071 1 0 "[ . 1 . 2]"
1 20 PHE 0.054 0.008 18 0 "[ . 1 . 2]"
1 21 SER 0.035 0.019 18 0 "[ . 1 . 2]"
1 22 SER 0.164 0.021 2 0 "[ . 1 . 2]"
1 23 LYS 0.113 0.034 18 0 "[ . 1 . 2]"
1 24 SER 0.446 0.085 19 0 "[ . 1 . 2]"
1 25 TYR 0.540 0.085 19 0 "[ . 1 . 2]"
1 26 LEU 0.234 0.027 13 0 "[ . 1 . 2]"
1 27 ILE 0.174 0.020 19 0 "[ . 1 . 2]"
1 28 VAL 0.226 0.020 13 0 "[ . 1 . 2]"
1 29 HIS 1.130 0.077 16 0 "[ . 1 . 2]"
1 30 GLN 0.219 0.046 14 0 "[ . 1 . 2]"
1 31 ARG 0.078 0.046 14 0 "[ . 1 . 2]"
1 32 ILE 1.222 0.077 16 0 "[ . 1 . 2]"
1 33 HIS 1.607 0.085 11 0 "[ . 1 . 2]"
1 34 THR 1.747 0.098 2 0 "[ . 1 . 2]"
1 35 GLY 0.304 0.057 2 0 "[ . 1 . 2]"
1 36 GLU 0.005 0.004 18 0 "[ . 1 . 2]"
1 37 LYS 0.063 0.020 11 0 "[ . 1 . 2]"
1 38 LEU 0.097 0.097 18 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 26 LEU H 1 27 ILE H . . 3.150 2.784 2.578 2.907 . 0 0 "[ . 1 . 2]" 2
2 1 24 SER HA 1 26 LEU H . . 4.780 4.221 3.923 4.625 . 0 0 "[ . 1 . 2]" 2
3 1 25 TYR HB2 1 26 LEU H . . 3.420 2.698 2.383 2.999 . 0 0 "[ . 1 . 2]" 2
4 1 26 LEU H 1 26 LEU HB3 . . 2.960 2.317 2.250 2.389 . 0 0 "[ . 1 . 2]" 2
5 1 26 LEU H 1 27 ILE HB . . 5.060 4.814 4.626 4.984 . 0 0 "[ . 1 . 2]" 2
6 1 26 LEU H 1 27 ILE HG13 . . 4.760 4.401 4.209 4.532 . 0 0 "[ . 1 . 2]" 2
7 1 26 LEU H 1 26 LEU HB2 . . 3.070 2.738 2.624 2.845 . 0 0 "[ . 1 . 2]" 2
8 1 26 LEU H 1 26 LEU MD2 . . 4.570 4.172 4.102 4.236 . 0 0 "[ . 1 . 2]" 2
9 1 26 LEU H 1 26 LEU MD1 . . 4.920 4.215 4.118 4.321 . 0 0 "[ . 1 . 2]" 2
10 1 24 SER HB2 1 26 LEU H . . 5.500 5.186 4.815 5.515 0.015 8 0 "[ . 1 . 2]" 2
11 1 24 SER HB3 1 26 LEU H . . 5.500 5.318 4.650 5.527 0.027 13 0 "[ . 1 . 2]" 2
12 1 18 LYS H 1 20 PHE QE . . 4.930 4.186 3.778 4.610 . 0 0 "[ . 1 . 2]" 2
13 1 16 CYS HA 1 18 LYS H . . 5.500 5.256 5.011 5.500 0.000 10 0 "[ . 1 . 2]" 2
14 1 18 LYS H 1 19 ASP HA . . 5.500 5.246 4.995 5.471 . 0 0 "[ . 1 . 2]" 2
15 1 18 LYS H 1 18 LYS HG3 . . 4.550 4.324 3.376 4.543 . 0 0 "[ . 1 . 2]" 2
16 1 17 GLY H 1 18 LYS H . . 3.770 1.950 1.811 2.094 . 0 0 "[ . 1 . 2]" 2
17 1 8 GLU HA 1 9 LYS H . . 3.100 2.287 2.138 2.525 . 0 0 "[ . 1 . 2]" 2
18 1 9 LYS H 1 10 PRO QD . . 4.350 2.282 2.150 2.424 . 0 0 "[ . 1 . 2]" 2
19 1 8 GLU QG 1 9 LYS H . . 4.990 4.176 3.141 4.975 . 0 0 "[ . 1 . 2]" 2
20 1 9 LYS H 1 10 PRO HB3 . . 5.380 5.330 5.179 5.471 0.091 18 0 "[ . 1 . 2]" 2
21 1 36 GLU HB3 1 37 LYS H . . 4.940 3.529 1.946 4.473 . 0 0 "[ . 1 . 2]" 2
22 1 9 LYS H 1 9 LYS QB . . 3.440 3.229 2.885 3.366 . 0 0 "[ . 1 . 2]" 2
23 1 18 LYS H 1 18 LYS HB2 . . 3.720 2.424 2.197 2.717 . 0 0 "[ . 1 . 2]" 2
24 1 9 LYS H 1 9 LYS HG2 . . 4.590 3.558 2.780 4.174 . 0 0 "[ . 1 . 2]" 2
25 1 9 LYS H 1 9 LYS HG3 . . 4.590 2.989 2.532 4.095 . 0 0 "[ . 1 . 2]" 2
26 1 36 GLU HG2 1 37 LYS H . . 5.500 4.480 2.192 5.202 . 0 0 "[ . 1 . 2]" 2
27 1 36 GLU HG3 1 37 LYS H . . 5.500 4.384 2.157 5.337 . 0 0 "[ . 1 . 2]" 2
28 1 8 GLU QB 1 9 LYS H . . 4.630 3.824 3.222 4.035 . 0 0 "[ . 1 . 2]" 2
29 1 37 LYS H 1 37 LYS HG2 . . 5.410 3.668 1.921 4.640 . 0 0 "[ . 1 . 2]" 2
30 1 37 LYS H 1 37 LYS HG3 . . 5.410 3.846 1.943 4.759 . 0 0 "[ . 1 . 2]" 2
31 1 34 THR H 1 35 GLY H . . 4.620 4.322 2.054 4.644 0.024 1 0 "[ . 1 . 2]" 2
32 1 34 THR HB 1 35 GLY H . . 4.400 3.060 2.090 3.999 . 0 0 "[ . 1 . 2]" 2
33 1 34 THR MG 1 35 GLY H . . 4.960 3.680 3.313 4.141 . 0 0 "[ . 1 . 2]" 2
34 1 12 GLY H 1 13 CYS H . . 4.640 4.379 4.323 4.424 . 0 0 "[ . 1 . 2]" 2
35 1 12 GLY H 1 19 ASP HA . . 5.180 4.973 4.802 5.090 . 0 0 "[ . 1 . 2]" 2
36 1 11 TYR HB3 1 12 GLY H . . 4.040 2.920 2.682 3.195 . 0 0 "[ . 1 . 2]" 2
37 1 11 TYR QD 1 12 GLY H . . 4.680 4.202 4.079 4.436 . 0 0 "[ . 1 . 2]" 2
38 1 12 GLY H 1 26 LEU MD2 . . 4.030 2.731 2.360 3.210 . 0 0 "[ . 1 . 2]" 2
39 1 14 ASN QB 1 15 GLU H . . 3.780 3.099 2.669 3.810 0.030 11 0 "[ . 1 . 2]" 2
40 1 15 GLU H 1 15 GLU HG2 . . 4.170 3.026 1.920 4.024 . 0 0 "[ . 1 . 2]" 2
41 1 15 GLU H 1 15 GLU HG3 . . 4.170 3.351 2.100 4.032 . 0 0 "[ . 1 . 2]" 2
42 1 15 GLU H 1 15 GLU QB . . 2.880 2.475 2.254 2.653 . 0 0 "[ . 1 . 2]" 2
43 1 36 GLU H 1 37 LYS H . . 4.540 3.333 1.942 4.468 . 0 0 "[ . 1 . 2]" 2
44 1 13 CYS HA 1 15 GLU H . . 4.450 3.808 3.631 4.196 . 0 0 "[ . 1 . 2]" 2
45 1 13 CYS HB3 1 15 GLU H . . 4.630 4.257 3.414 4.629 . 0 0 "[ . 1 . 2]" 2
46 1 34 THR HA 1 36 GLU H . . 5.500 4.473 3.483 5.489 . 0 0 "[ . 1 . 2]" 2
47 1 34 THR HB 1 36 GLU H . . 5.500 4.815 3.510 5.501 0.001 10 0 "[ . 1 . 2]" 2
48 1 36 GLU H 1 37 LYS HA . . 5.500 5.012 4.224 5.504 0.004 18 0 "[ . 1 . 2]" 2
49 1 36 GLU H 1 36 GLU HB2 . . 4.060 2.788 2.177 3.988 . 0 0 "[ . 1 . 2]" 2
50 1 36 GLU H 1 36 GLU HB3 . . 4.060 3.122 2.491 3.866 . 0 0 "[ . 1 . 2]" 2
51 1 8 GLU H 1 10 PRO QD . . 4.970 2.889 2.469 3.343 . 0 0 "[ . 1 . 2]" 2
52 1 7 GLY H 1 8 GLU H . . 4.630 3.199 1.932 4.629 . 0 0 "[ . 1 . 2]" 2
53 1 8 GLU H 1 9 LYS H . . 5.340 3.798 3.453 4.199 . 0 0 "[ . 1 . 2]" 2
54 1 8 GLU H 1 8 GLU QG . . 4.520 3.093 1.888 4.341 . 0 0 "[ . 1 . 2]" 2
55 1 8 GLU H 1 10 PRO HB3 . . 4.320 4.011 3.612 4.322 0.002 15 0 "[ . 1 . 2]" 2
56 1 29 HIS H 1 30 GLN H . . 3.330 2.709 2.635 2.765 . 0 0 "[ . 1 . 2]" 2
57 1 27 ILE H 1 29 HIS H . . 4.750 4.288 4.203 4.337 . 0 0 "[ . 1 . 2]" 2
58 1 29 HIS H 1 31 ARG H . . 4.570 3.951 3.914 4.007 . 0 0 "[ . 1 . 2]" 2
59 1 25 TYR HA 1 29 HIS H . . 4.440 4.387 4.258 4.451 0.011 14 0 "[ . 1 . 2]" 2
60 1 29 HIS H 1 29 HIS HB3 . . 2.890 2.340 2.222 2.381 . 0 0 "[ . 1 . 2]" 2
61 1 28 VAL MG1 1 29 HIS H . . 3.810 3.482 3.295 3.560 . 0 0 "[ . 1 . 2]" 2
62 1 28 VAL H 1 29 HIS H . . 3.300 2.572 2.503 2.632 . 0 0 "[ . 1 . 2]" 2
63 1 20 PHE QE 1 29 HIS H . . 5.410 4.706 4.311 5.003 . 0 0 "[ . 1 . 2]" 2
64 1 26 LEU HA 1 29 HIS H . . 3.750 3.279 3.214 3.325 . 0 0 "[ . 1 . 2]" 2
65 1 29 HIS H 1 29 HIS HB2 . . 3.090 2.762 2.700 2.932 . 0 0 "[ . 1 . 2]" 2
66 1 28 VAL HB 1 29 HIS H . . 3.250 2.658 2.608 2.727 . 0 0 "[ . 1 . 2]" 2
67 1 26 LEU HB2 1 29 HIS H . . 5.500 5.486 5.436 5.513 0.013 19 0 "[ . 1 . 2]" 2
68 1 28 VAL MG2 1 29 HIS H . . 3.970 3.869 3.834 3.955 . 0 0 "[ . 1 . 2]" 2
69 1 24 SER H 1 25 TYR H . . 4.420 2.925 2.559 3.204 . 0 0 "[ . 1 . 2]" 2
70 1 22 SER HB3 1 25 TYR H . . 4.120 2.972 2.341 4.117 . 0 0 "[ . 1 . 2]" 2
71 1 22 SER HB2 1 25 TYR H . . 4.120 3.601 2.831 4.141 0.021 2 0 "[ . 1 . 2]" 2
72 1 24 SER HB2 1 25 TYR H . . 4.300 2.972 2.111 3.931 . 0 0 "[ . 1 . 2]" 2
73 1 24 SER HB3 1 25 TYR H . . 4.300 3.177 2.050 3.830 . 0 0 "[ . 1 . 2]" 2
74 1 25 TYR H 1 25 TYR HB3 . . 3.750 3.595 3.516 3.614 . 0 0 "[ . 1 . 2]" 2
75 1 25 TYR H 1 25 TYR HB2 . . 3.060 2.470 2.219 2.568 . 0 0 "[ . 1 . 2]" 2
76 1 26 LEU HB3 1 27 ILE H . . 3.230 2.311 2.192 2.472 . 0 0 "[ . 1 . 2]" 2
77 1 27 ILE H 1 27 ILE HB . . 2.860 2.605 2.561 2.643 . 0 0 "[ . 1 . 2]" 2
78 1 27 ILE H 1 27 ILE HG13 . . 3.120 1.984 1.919 2.053 . 0 0 "[ . 1 . 2]" 2
79 1 26 LEU HG 1 27 ILE H . . 3.580 3.004 2.875 3.183 . 0 0 "[ . 1 . 2]" 2
80 1 27 ILE H 1 27 ILE HG12 . . 3.410 3.357 3.290 3.413 0.003 2 0 "[ . 1 . 2]" 2
81 1 26 LEU MD2 1 27 ILE H . . 3.870 3.692 3.404 3.876 0.006 19 0 "[ . 1 . 2]" 2
82 1 27 ILE H 1 27 ILE MG . . 3.850 3.770 3.765 3.778 . 0 0 "[ . 1 . 2]" 2
83 1 25 TYR H 1 27 ILE H . . 4.880 4.707 4.495 4.846 . 0 0 "[ . 1 . 2]" 2
84 1 25 TYR H 1 28 VAL MG2 . . 4.830 4.319 4.073 4.590 . 0 0 "[ . 1 . 2]" 2
85 1 25 TYR H 1 28 VAL HB . . 5.350 5.276 5.162 5.347 . 0 0 "[ . 1 . 2]" 2
86 1 27 ILE H 1 28 VAL H . . 3.300 2.865 2.770 2.937 . 0 0 "[ . 1 . 2]" 2
87 1 26 LEU HA 1 28 VAL H . . 4.770 4.205 4.117 4.384 . 0 0 "[ . 1 . 2]" 2
88 1 28 VAL H 1 29 HIS HB2 . . 5.500 5.193 5.106 5.315 . 0 0 "[ . 1 . 2]" 2
89 1 28 VAL H 1 28 VAL HB . . 2.940 2.497 2.411 2.526 . 0 0 "[ . 1 . 2]" 2
90 1 27 ILE HB 1 28 VAL H . . 3.330 2.692 2.550 2.783 . 0 0 "[ . 1 . 2]" 2
91 1 27 ILE HG13 1 28 VAL H . . 4.380 4.282 4.200 4.338 . 0 0 "[ . 1 . 2]" 2
92 1 27 ILE HG12 1 28 VAL H . . 5.230 5.060 4.997 5.106 . 0 0 "[ . 1 . 2]" 2
93 1 28 VAL H 1 28 VAL MG2 . . 2.950 2.273 2.098 2.522 . 0 0 "[ . 1 . 2]" 2
94 1 27 ILE MG 1 28 VAL H . . 3.510 3.457 3.338 3.530 0.020 13 0 "[ . 1 . 2]" 2
95 1 25 TYR HA 1 28 VAL H . . 4.050 3.843 3.626 3.953 . 0 0 "[ . 1 . 2]" 2
96 1 24 SER HA 1 28 VAL H . . 4.550 4.069 3.890 4.272 . 0 0 "[ . 1 . 2]" 2
97 1 28 VAL H 1 29 HIS HB3 . . 4.830 4.628 4.473 4.732 . 0 0 "[ . 1 . 2]" 2
98 1 11 TYR H 1 11 TYR HB2 . . 3.190 2.642 2.553 2.776 . 0 0 "[ . 1 . 2]" 2
99 1 19 ASP H 1 19 ASP HB3 . . 4.120 3.685 2.757 3.936 . 0 0 "[ . 1 . 2]" 2
100 1 18 LYS QD 1 19 ASP H . . 4.760 3.828 2.866 4.549 . 0 0 "[ . 1 . 2]" 2
101 1 11 TYR H 1 11 TYR QD . . 3.440 2.462 2.115 2.760 . 0 0 "[ . 1 . 2]" 2
102 1 11 TYR H 1 11 TYR QE . . 4.840 4.356 4.171 4.585 . 0 0 "[ . 1 . 2]" 2
103 1 9 LYS HA 1 11 TYR H . . 4.250 3.202 3.031 3.392 . 0 0 "[ . 1 . 2]" 2
104 1 10 PRO QD 1 11 TYR H . . 3.570 2.650 2.603 2.771 . 0 0 "[ . 1 . 2]" 2
105 1 10 PRO HB3 1 11 TYR H . . 4.440 4.267 4.148 4.403 . 0 0 "[ . 1 . 2]" 2
106 1 10 PRO HG3 1 11 TYR H . . 4.730 4.103 3.894 4.373 . 0 0 "[ . 1 . 2]" 2
107 1 10 PRO HG2 1 11 TYR H . . 3.780 2.667 2.387 3.027 . 0 0 "[ . 1 . 2]" 2
108 1 10 PRO HB2 1 11 TYR H . . 3.830 3.552 3.348 3.787 . 0 0 "[ . 1 . 2]" 2
109 1 11 TYR H 1 26 LEU MD2 . . 5.380 5.137 4.787 5.318 . 0 0 "[ . 1 . 2]" 2
110 1 30 GLN H 1 31 ARG H . . 3.310 2.870 2.823 2.902 . 0 0 "[ . 1 . 2]" 2
111 1 31 ARG H 1 32 ILE H . . 3.310 2.725 2.641 2.783 . 0 0 "[ . 1 . 2]" 2
112 1 31 ARG H 1 31 ARG QD . . 4.270 3.760 3.500 4.098 . 0 0 "[ . 1 . 2]" 2
113 1 30 GLN HB2 1 31 ARG H . . 3.950 3.098 3.038 3.177 . 0 0 "[ . 1 . 2]" 2
114 1 30 GLN HB3 1 31 ARG H . . 4.260 3.786 3.700 3.873 . 0 0 "[ . 1 . 2]" 2
115 1 31 ARG H 1 31 ARG HG3 . . 2.890 2.156 2.007 2.421 . 0 0 "[ . 1 . 2]" 2
116 1 31 ARG H 1 31 ARG HB2 . . 3.100 2.521 2.413 2.588 . 0 0 "[ . 1 . 2]" 2
117 1 31 ARG H 1 31 ARG HG2 . . 3.480 3.332 3.134 3.485 0.005 18 0 "[ . 1 . 2]" 2
118 1 27 ILE MG 1 31 ARG H . . 5.430 4.930 4.771 5.124 . 0 0 "[ . 1 . 2]" 2
119 1 31 ARG H 1 32 ILE MG . . 4.950 3.935 3.808 4.073 . 0 0 "[ . 1 . 2]" 2
120 1 30 GLN HB3 1 33 HIS H . . 4.960 4.835 4.807 4.902 . 0 0 "[ . 1 . 2]" 2
121 1 32 ILE H 1 33 HIS H . . 3.190 2.744 2.683 2.829 . 0 0 "[ . 1 . 2]" 2
122 1 33 HIS H 1 34 THR HA . . 5.500 4.842 4.659 5.275 . 0 0 "[ . 1 . 2]" 2
123 1 33 HIS H 1 34 THR HB . . 5.500 5.548 5.431 5.585 0.085 11 0 "[ . 1 . 2]" 2
124 1 33 HIS H 1 33 HIS HB3 . . 3.710 3.677 3.595 3.724 0.014 12 0 "[ . 1 . 2]" 2
125 1 33 HIS H 1 34 THR MG . . 4.930 3.760 3.113 4.399 . 0 0 "[ . 1 . 2]" 2
126 1 32 ILE MG 1 33 HIS H . . 4.160 3.942 3.809 3.994 . 0 0 "[ . 1 . 2]" 2
127 1 33 HIS H 1 33 HIS HD2 . . 4.170 3.606 3.409 3.839 . 0 0 "[ . 1 . 2]" 2
128 1 31 ARG HA 1 33 HIS H . . 4.490 3.509 3.446 3.696 . 0 0 "[ . 1 . 2]" 2
129 1 30 GLN HA 1 33 HIS H . . 3.950 3.685 3.649 3.755 . 0 0 "[ . 1 . 2]" 2
130 1 33 HIS H 1 33 HIS HB2 . . 3.310 2.481 2.372 2.567 . 0 0 "[ . 1 . 2]" 2
131 1 32 ILE HB 1 33 HIS H . . 4.250 4.236 4.088 4.314 0.064 20 0 "[ . 1 . 2]" 2
132 1 32 ILE HG12 1 33 HIS H . . 4.410 3.445 2.710 3.720 . 0 0 "[ . 1 . 2]" 2
133 1 32 ILE HG13 1 33 HIS H . . 4.410 2.630 2.550 2.936 . 0 0 "[ . 1 . 2]" 2
134 1 29 HIS HA 1 32 ILE H . . 3.990 3.476 3.458 3.520 . 0 0 "[ . 1 . 2]" 2
135 1 32 ILE H 1 32 ILE HG12 . . 3.660 2.633 2.591 2.667 . 0 0 "[ . 1 . 2]" 2
136 1 30 GLN H 1 32 ILE H . . 5.000 4.645 4.558 4.692 . 0 0 "[ . 1 . 2]" 2
137 1 20 PHE H 1 20 PHE QE . . 4.870 4.567 4.288 4.772 . 0 0 "[ . 1 . 2]" 2
138 1 31 ARG HB3 1 32 ILE H . . 4.240 3.616 3.534 3.707 . 0 0 "[ . 1 . 2]" 2
139 1 31 ARG HG3 1 32 ILE H . . 4.830 4.239 4.132 4.406 . 0 0 "[ . 1 . 2]" 2
140 1 31 ARG HB2 1 32 ILE H . . 3.980 2.551 2.478 2.667 . 0 0 "[ . 1 . 2]" 2
141 1 32 ILE H 1 32 ILE HB . . 3.740 3.598 3.585 3.606 . 0 0 "[ . 1 . 2]" 2
142 1 20 PHE H 1 26 LEU MD2 . . 5.420 4.940 4.470 5.422 0.002 10 0 "[ . 1 . 2]" 2
143 1 20 PHE H 1 26 LEU MD1 . . 5.500 4.534 4.244 4.846 . 0 0 "[ . 1 . 2]" 2
144 1 32 ILE H 1 32 ILE HG13 . . 3.660 3.210 3.052 3.638 . 0 0 "[ . 1 . 2]" 2
145 1 32 ILE H 1 32 ILE MG . . 3.250 1.916 1.848 2.108 . 0 0 "[ . 1 . 2]" 2
146 1 13 CYS H 1 20 PHE H . . 4.890 4.746 4.546 4.895 0.005 18 0 "[ . 1 . 2]" 2
147 1 19 ASP H 1 20 PHE H . . 4.890 4.360 4.197 4.453 . 0 0 "[ . 1 . 2]" 2
148 1 20 PHE H 1 20 PHE QD . . 3.190 2.559 2.163 2.881 . 0 0 "[ . 1 . 2]" 2
149 1 19 ASP HA 1 20 PHE H . . 2.840 2.212 2.152 2.331 . 0 0 "[ . 1 . 2]" 2
150 1 31 ARG QD 1 32 ILE H . . 4.980 4.651 4.420 4.853 . 0 0 "[ . 1 . 2]" 2
151 1 20 PHE H 1 20 PHE HB2 . . 3.250 2.872 2.757 3.053 . 0 0 "[ . 1 . 2]" 2
152 1 9 LYS QB 1 20 PHE H . . 4.360 4.009 3.612 4.360 0.000 2 0 "[ . 1 . 2]" 2
153 1 29 HIS HD2 1 30 GLN H . . 3.960 3.133 2.894 3.291 . 0 0 "[ . 1 . 2]" 2
154 1 26 LEU HA 1 30 GLN H . . 4.280 3.762 3.589 3.860 . 0 0 "[ . 1 . 2]" 2
155 1 29 HIS HB3 1 30 GLN H . . 3.360 2.427 2.355 2.570 . 0 0 "[ . 1 . 2]" 2
156 1 30 GLN H 1 30 GLN HG3 . . 3.230 2.498 2.307 2.672 . 0 0 "[ . 1 . 2]" 2
157 1 30 GLN H 1 30 GLN HG2 . . 3.780 3.373 3.192 3.582 . 0 0 "[ . 1 . 2]" 2
158 1 29 HIS HB2 1 30 GLN H . . 3.930 3.843 3.795 3.939 0.009 6 0 "[ . 1 . 2]" 2
159 1 30 GLN H 1 30 GLN HB2 . . 3.150 2.419 2.353 2.490 . 0 0 "[ . 1 . 2]" 2
160 1 30 GLN H 1 31 ARG HG3 . . 4.530 4.347 4.196 4.576 0.046 14 0 "[ . 1 . 2]" 2
161 1 26 LEU HG 1 30 GLN H . . 4.690 4.041 3.860 4.262 . 0 0 "[ . 1 . 2]" 2
162 1 26 LEU MD1 1 30 GLN H . . 4.120 3.263 2.969 3.528 . 0 0 "[ . 1 . 2]" 2
163 1 28 VAL H 1 30 GLN H . . 4.690 4.332 4.209 4.469 . 0 0 "[ . 1 . 2]" 2
164 1 15 GLU H 1 16 CYS H . . 3.100 2.700 1.906 3.074 . 0 0 "[ . 1 . 2]" 2
165 1 16 CYS H 1 16 CYS HB3 . . 3.600 2.902 2.741 3.031 . 0 0 "[ . 1 . 2]" 2
166 1 15 GLU QB 1 16 CYS H . . 3.230 2.390 2.191 2.651 . 0 0 "[ . 1 . 2]" 2
167 1 14 ASN HA 1 16 CYS H . . 4.810 4.458 4.071 4.758 . 0 0 "[ . 1 . 2]" 2
168 1 13 CYS HB3 1 16 CYS H . . 4.250 3.575 3.290 3.783 . 0 0 "[ . 1 . 2]" 2
169 1 11 TYR QD 1 23 LYS H . . 4.640 4.078 3.671 4.446 . 0 0 "[ . 1 . 2]" 2
170 1 22 SER HA 1 23 LYS H . . 3.020 2.358 2.192 2.614 . 0 0 "[ . 1 . 2]" 2
171 1 22 SER HB3 1 23 LYS H . . 4.140 2.992 2.125 3.875 . 0 0 "[ . 1 . 2]" 2
172 1 23 LYS H 1 23 LYS HB3 . . 3.420 2.507 2.357 2.870 . 0 0 "[ . 1 . 2]" 2
173 1 23 LYS H 1 23 LYS HB2 . . 3.300 2.602 2.222 2.903 . 0 0 "[ . 1 . 2]" 2
174 1 22 SER HB2 1 23 LYS H . . 4.140 3.895 3.031 4.157 0.017 18 0 "[ . 1 . 2]" 2
175 1 23 LYS H 1 23 LYS HG3 . . 4.930 4.415 4.171 4.536 . 0 0 "[ . 1 . 2]" 2
176 1 21 SER H 1 22 SER H . . 4.350 2.544 2.184 3.003 . 0 0 "[ . 1 . 2]" 2
177 1 13 CYS H 1 17 GLY H . . 4.960 4.507 4.356 4.808 . 0 0 "[ . 1 . 2]" 2
178 1 15 GLU H 1 17 GLY H . . 4.300 3.946 3.132 4.306 0.006 18 0 "[ . 1 . 2]" 2
179 1 22 SER H 1 25 TYR QD . . 4.170 2.480 1.963 3.603 . 0 0 "[ . 1 . 2]" 2
180 1 21 SER HB3 1 22 SER H . . 4.610 3.142 2.416 4.568 . 0 0 "[ . 1 . 2]" 2
181 1 21 SER HB2 1 22 SER H . . 4.610 3.560 2.574 4.521 . 0 0 "[ . 1 . 2]" 2
182 1 22 SER H 1 22 SER HB3 . . 4.200 3.279 2.415 3.869 . 0 0 "[ . 1 . 2]" 2
183 1 22 SER H 1 22 SER HB2 . . 4.200 2.582 2.351 3.293 . 0 0 "[ . 1 . 2]" 2
184 1 20 PHE HB3 1 22 SER H . . 3.480 3.184 2.693 3.477 . 0 0 "[ . 1 . 2]" 2
185 1 22 SER H 1 25 TYR HB2 . . 3.490 3.327 3.087 3.502 0.012 18 0 "[ . 1 . 2]" 2
186 1 16 CYS HB3 1 17 GLY H . . 4.130 3.797 3.756 3.855 . 0 0 "[ . 1 . 2]" 2
187 1 16 CYS H 1 17 GLY H . . 2.730 2.113 1.934 2.271 . 0 0 "[ . 1 . 2]" 2
188 1 13 CYS H 1 18 LYS H . . 4.330 3.315 2.988 3.660 . 0 0 "[ . 1 . 2]" 2
189 1 14 ASN HA 1 17 GLY H . . 4.730 4.239 3.784 4.676 . 0 0 "[ . 1 . 2]" 2
190 1 13 CYS HB3 1 17 GLY H . . 3.620 2.792 2.663 2.959 . 0 0 "[ . 1 . 2]" 2
191 1 15 GLU QB 1 17 GLY H . . 4.360 4.236 4.120 4.359 . 0 0 "[ . 1 . 2]" 2
192 1 13 CYS H 1 20 PHE QD . . 4.460 3.641 3.295 4.160 . 0 0 "[ . 1 . 2]" 2
193 1 13 CYS H 1 20 PHE QE . . 4.000 3.073 2.353 3.705 . 0 0 "[ . 1 . 2]" 2
194 1 13 CYS H 1 19 ASP HA . . 3.760 3.293 2.922 3.446 . 0 0 "[ . 1 . 2]" 2
195 1 12 GLY HA2 1 13 CYS H . . 3.230 2.325 2.257 2.486 . 0 0 "[ . 1 . 2]" 2
196 1 13 CYS H 1 13 CYS HB3 . . 3.070 2.533 2.406 2.740 . 0 0 "[ . 1 . 2]" 2
197 1 13 CYS H 1 13 CYS HB2 . . 3.220 2.797 2.620 2.972 . 0 0 "[ . 1 . 2]" 2
198 1 23 LYS HB3 1 24 SER H . . 4.920 2.621 2.367 2.946 . 0 0 "[ . 1 . 2]" 2
199 1 13 CYS H 1 26 LEU MD1 . . 3.960 3.273 3.011 3.703 . 0 0 "[ . 1 . 2]" 2
200 1 37 LYS HB2 1 38 LEU H . . 4.940 3.821 2.288 4.595 . 0 0 "[ . 1 . 2]" 2
201 1 26 LEU MD2 1 30 GLN HE21 . . 4.350 2.937 2.085 4.167 . 0 0 "[ . 1 . 2]" 2
202 1 26 LEU MD2 1 30 GLN HE22 . . 4.350 3.345 2.547 4.135 . 0 0 "[ . 1 . 2]" 2
203 1 13 CYS HA 1 30 GLN HE22 . . 4.770 4.441 3.951 4.765 . 0 0 "[ . 1 . 2]" 2
204 1 13 CYS HA 1 30 GLN HE21 . . 4.770 3.143 2.482 4.173 . 0 0 "[ . 1 . 2]" 2
205 1 30 GLN HE22 1 30 GLN HG2 . . 3.980 3.627 3.437 3.842 . 0 0 "[ . 1 . 2]" 2
206 1 26 LEU HG 1 30 GLN HE21 . . 4.890 3.217 1.975 4.591 . 0 0 "[ . 1 . 2]" 2
207 1 26 LEU HG 1 30 GLN HE22 . . 4.890 3.991 3.267 4.702 . 0 0 "[ . 1 . 2]" 2
208 1 37 LYS HB3 1 38 LEU H . . 4.940 3.740 2.243 4.584 . 0 0 "[ . 1 . 2]" 2
209 1 33 HIS H 1 34 THR H . . 3.530 2.273 2.019 2.801 . 0 0 "[ . 1 . 2]" 2
210 1 34 THR H 1 34 THR HB . . 4.010 3.516 2.772 3.812 . 0 0 "[ . 1 . 2]" 2
211 1 33 HIS HB2 1 34 THR H . . 4.050 2.883 2.051 4.005 . 0 0 "[ . 1 . 2]" 2
212 1 34 THR H 1 34 THR MG . . 3.740 2.479 1.853 3.483 . 0 0 "[ . 1 . 2]" 2
213 1 31 ARG HA 1 34 THR H . . 4.520 3.223 2.853 3.888 . 0 0 "[ . 1 . 2]" 2
214 1 30 GLN HB3 1 34 THR MG . . 4.580 3.467 3.031 4.428 . 0 0 "[ . 1 . 2]" 2
215 1 34 THR HA 1 34 THR MG . . 3.070 2.380 2.040 3.168 0.098 2 0 "[ . 1 . 2]" 2
216 1 31 ARG HA 1 34 THR MG . . 4.160 2.562 1.896 3.987 . 0 0 "[ . 1 . 2]" 2
217 1 33 HIS HB3 1 34 THR MG . . 4.720 4.446 4.000 4.733 0.013 19 0 "[ . 1 . 2]" 2
218 1 33 HIS HB2 1 34 THR MG . . 4.410 3.625 3.262 3.859 . 0 0 "[ . 1 . 2]" 2
219 1 28 VAL H 1 28 VAL MG1 . . 3.960 3.762 3.742 3.767 . 0 0 "[ . 1 . 2]" 2
220 1 28 VAL MG1 1 31 ARG H . . 5.500 4.527 4.411 4.617 . 0 0 "[ . 1 . 2]" 2
221 1 25 TYR HA 1 28 VAL MG1 . . 4.210 4.214 4.174 4.228 0.018 15 0 "[ . 1 . 2]" 2
222 1 28 VAL MG1 1 31 ARG QD . . 4.100 2.747 2.496 3.275 . 0 0 "[ . 1 . 2]" 2
223 1 28 VAL MG1 1 29 HIS HB3 . . 5.300 5.113 4.924 5.188 . 0 0 "[ . 1 . 2]" 2
224 1 28 VAL MG1 1 31 ARG HB2 . . 4.870 3.815 3.664 3.956 . 0 0 "[ . 1 . 2]" 2
225 1 28 VAL MG1 1 31 ARG HG2 . . 5.420 5.058 4.880 5.252 . 0 0 "[ . 1 . 2]" 2
226 1 34 THR HB 1 35 GLY HA2 . . 5.500 4.611 3.908 5.547 0.047 2 0 "[ . 1 . 2]" 2
227 1 34 THR HB 1 35 GLY HA3 . . 5.500 4.757 4.132 5.557 0.057 2 0 "[ . 1 . 2]" 2
228 1 11 TYR HB2 1 12 GLY HA2 . . 5.400 4.473 4.333 4.603 . 0 0 "[ . 1 . 2]" 2
229 1 12 GLY HA2 1 20 PHE H . . 3.700 2.880 2.689 3.010 . 0 0 "[ . 1 . 2]" 2
230 1 12 GLY HA2 1 19 ASP HA . . 3.720 2.220 1.993 2.342 . 0 0 "[ . 1 . 2]" 2
231 1 9 LYS QB 1 12 GLY HA2 . . 5.500 5.457 5.323 5.530 0.030 18 0 "[ . 1 . 2]" 2
232 1 40 GLY HA3 1 41 PRO QD . . 3.580 2.327 1.919 3.467 . 0 0 "[ . 1 . 2]" 2
233 1 20 PHE HB3 1 26 LEU MD2 . . 5.500 5.420 5.067 5.508 0.008 18 0 "[ . 1 . 2]" 2
234 1 20 PHE HB3 1 26 LEU MD1 . . 5.500 4.936 4.574 5.160 . 0 0 "[ . 1 . 2]" 2
235 1 20 PHE HB2 1 26 LEU MD2 . . 4.590 4.060 3.659 4.240 . 0 0 "[ . 1 . 2]" 2
236 1 20 PHE HB2 1 26 LEU MD1 . . 4.860 3.908 3.464 4.192 . 0 0 "[ . 1 . 2]" 2
237 1 20 PHE H 1 20 PHE HB3 . . 4.020 3.883 3.806 3.973 . 0 0 "[ . 1 . 2]" 2
238 1 19 ASP HB2 1 20 PHE H . . 3.920 3.626 3.040 3.922 0.002 7 0 "[ . 1 . 2]" 2
239 1 19 ASP HB3 1 20 PHE H . . 3.920 3.360 2.832 3.913 . 0 0 "[ . 1 . 2]" 2
240 1 19 ASP H 1 19 ASP HB2 . . 4.120 3.190 2.952 3.712 . 0 0 "[ . 1 . 2]" 2
241 1 20 PHE HB2 1 22 SER H . . 4.180 3.828 2.759 4.186 0.006 9 0 "[ . 1 . 2]" 2
242 1 11 TYR QD 1 20 PHE HB2 . . 5.060 4.464 3.770 4.800 . 0 0 "[ . 1 . 2]" 2
243 1 31 ARG HA 1 31 ARG QD . . 4.320 4.102 3.829 4.268 . 0 0 "[ . 1 . 2]" 2
244 1 18 LYS HA 1 19 ASP HB2 . . 5.500 5.050 4.258 5.571 0.071 1 0 "[ . 1 . 2]" 2
245 1 18 LYS HA 1 19 ASP HB3 . . 5.500 5.241 4.447 5.563 0.063 10 0 "[ . 1 . 2]" 2
246 1 20 PHE HB3 1 26 LEU HB3 . . 5.300 4.911 4.391 5.221 . 0 0 "[ . 1 . 2]" 2
247 1 20 PHE HB2 1 26 LEU HB3 . . 4.480 3.901 3.501 4.204 . 0 0 "[ . 1 . 2]" 2
248 1 31 ARG HB3 1 31 ARG QD . . 3.430 2.608 2.138 2.994 . 0 0 "[ . 1 . 2]" 2
249 1 31 ARG HB2 1 31 ARG QD . . 3.460 2.384 2.211 2.589 . 0 0 "[ . 1 . 2]" 2
250 1 9 LYS QB 1 19 ASP HB2 . . 4.090 3.572 2.655 4.034 . 0 0 "[ . 1 . 2]" 2
251 1 20 PHE HB3 1 26 LEU HB2 . . 4.300 3.815 3.342 4.058 . 0 0 "[ . 1 . 2]" 2
252 1 25 TYR HA 1 25 TYR QE . . 4.850 4.272 4.134 4.351 . 0 0 "[ . 1 . 2]" 2
253 1 11 TYR QE 1 23 LYS H . . 4.060 3.557 2.866 4.057 . 0 0 "[ . 1 . 2]" 2
254 1 11 TYR QE 1 22 SER HA . . 3.460 3.219 2.735 3.464 0.004 1 0 "[ . 1 . 2]" 2
255 1 22 SER HB3 1 25 TYR QE . . 4.760 4.053 3.257 4.765 0.005 1 0 "[ . 1 . 2]" 2
256 1 10 PRO QD 1 11 TYR QE . . 4.340 3.804 3.270 4.161 . 0 0 "[ . 1 . 2]" 2
257 1 11 TYR QE 1 23 LYS HA . . 4.330 3.843 3.485 4.222 . 0 0 "[ . 1 . 2]" 2
258 1 11 TYR QE 1 23 LYS HE2 . . 5.100 4.233 1.997 5.097 . 0 0 "[ . 1 . 2]" 2
259 1 11 TYR QE 1 23 LYS HE3 . . 5.100 4.103 1.994 4.801 . 0 0 "[ . 1 . 2]" 2
260 1 10 PRO HB3 1 11 TYR QE . . 4.960 4.940 4.742 4.980 0.020 2 0 "[ . 1 . 2]" 2
261 1 10 PRO HG3 1 11 TYR QE . . 5.090 3.270 3.138 3.408 . 0 0 "[ . 1 . 2]" 2
262 1 10 PRO HG2 1 11 TYR QE . . 3.740 2.461 2.244 2.621 . 0 0 "[ . 1 . 2]" 2
263 1 11 TYR QE 1 23 LYS HB2 . . 3.590 2.722 2.236 3.114 . 0 0 "[ . 1 . 2]" 2
264 1 10 PRO HB2 1 11 TYR QE . . 4.380 3.994 3.685 4.192 . 0 0 "[ . 1 . 2]" 2
265 1 11 TYR QE 1 23 LYS HG3 . . 4.840 3.810 2.350 4.800 . 0 0 "[ . 1 . 2]" 2
266 1 11 TYR QE 1 26 LEU MD2 . . 5.010 4.768 4.597 5.004 . 0 0 "[ . 1 . 2]" 2
267 1 24 SER HA 1 27 ILE MG . . 4.230 4.165 4.012 4.250 0.020 19 0 "[ . 1 . 2]" 2
268 1 27 ILE MG 1 28 VAL HA . . 4.110 3.408 3.293 3.553 . 0 0 "[ . 1 . 2]" 2
269 1 27 ILE MG 1 31 ARG QD . . 4.830 4.053 3.489 4.679 . 0 0 "[ . 1 . 2]" 2
270 1 27 ILE HG12 1 27 ILE MG . . 3.140 2.283 2.165 2.358 . 0 0 "[ . 1 . 2]" 2
271 1 23 LYS HE2 1 27 ILE MD . . 4.980 3.144 1.986 4.447 . 0 0 "[ . 1 . 2]" 2
272 1 23 LYS HE3 1 27 ILE MD . . 4.980 3.374 2.231 4.612 . 0 0 "[ . 1 . 2]" 2
273 1 29 HIS HD2 1 32 ILE MG . . 5.500 5.166 4.827 5.467 . 0 0 "[ . 1 . 2]" 2
274 1 32 ILE MG 1 33 HIS HD2 . . 5.500 5.069 4.896 5.360 . 0 0 "[ . 1 . 2]" 2
275 1 28 VAL HA 1 31 ARG H . . 4.280 3.968 3.900 4.012 . 0 0 "[ . 1 . 2]" 2
276 1 28 VAL HA 1 29 HIS HA . . 4.980 4.758 4.743 4.777 . 0 0 "[ . 1 . 2]" 2
277 1 28 VAL HA 1 31 ARG QD . . 3.650 2.375 1.928 3.277 . 0 0 "[ . 1 . 2]" 2
278 1 28 VAL HA 1 31 ARG HG3 . . 3.790 2.633 2.389 2.869 . 0 0 "[ . 1 . 2]" 2
279 1 28 VAL HA 1 31 ARG HG2 . . 4.410 4.003 3.868 4.250 . 0 0 "[ . 1 . 2]" 2
280 1 28 VAL HA 1 28 VAL MG1 . . 3.100 2.455 2.365 2.503 . 0 0 "[ . 1 . 2]" 2
281 1 22 SER HB2 1 25 TYR QE . . 4.760 3.045 2.420 4.235 . 0 0 "[ . 1 . 2]" 2
282 1 26 LEU HB2 1 27 ILE H . . 4.060 3.766 3.686 3.877 . 0 0 "[ . 1 . 2]" 2
283 1 11 TYR HB3 1 26 LEU HB3 . . 3.960 3.587 3.343 3.806 . 0 0 "[ . 1 . 2]" 2
284 1 20 PHE HB2 1 26 LEU HB2 . . 3.700 2.572 2.175 2.852 . 0 0 "[ . 1 . 2]" 2
285 1 26 LEU HB3 1 27 ILE HB . . 5.090 4.858 4.736 4.990 . 0 0 "[ . 1 . 2]" 2
286 1 26 LEU HB3 1 27 ILE HG13 . . 4.390 3.345 3.250 3.424 . 0 0 "[ . 1 . 2]" 2
287 1 26 LEU HB3 1 26 LEU MD2 . . 3.180 2.281 2.149 2.408 . 0 0 "[ . 1 . 2]" 2
288 1 27 ILE HA 1 30 GLN H . . 3.930 3.816 3.706 3.935 0.005 10 0 "[ . 1 . 2]" 2
289 1 32 ILE H 1 32 ILE MD . . 4.200 4.029 3.922 4.064 . 0 0 "[ . 1 . 2]" 2
290 1 27 ILE HA 1 31 ARG H . . 5.080 4.909 4.769 5.086 0.006 16 0 "[ . 1 . 2]" 2
291 1 27 ILE HA 1 30 GLN HG3 . . 4.170 3.556 3.389 3.877 . 0 0 "[ . 1 . 2]" 2
292 1 27 ILE HA 1 30 GLN HG2 . . 5.190 5.039 4.935 5.175 . 0 0 "[ . 1 . 2]" 2
293 1 27 ILE HA 1 30 GLN HB2 . . 3.480 2.836 2.696 2.971 . 0 0 "[ . 1 . 2]" 2
294 1 27 ILE HA 1 30 GLN HB3 . . 4.550 4.391 4.235 4.528 . 0 0 "[ . 1 . 2]" 2
295 1 32 ILE HB 1 32 ILE MD . . 3.160 2.225 2.078 2.381 . 0 0 "[ . 1 . 2]" 2
296 1 27 ILE HA 1 27 ILE HG13 . . 3.370 2.887 2.808 2.989 . 0 0 "[ . 1 . 2]" 2
297 1 26 LEU HG 1 27 ILE HA . . 3.960 3.172 3.084 3.337 . 0 0 "[ . 1 . 2]" 2
298 1 27 ILE HA 1 27 ILE HG12 . . 3.240 2.594 2.498 2.705 . 0 0 "[ . 1 . 2]" 2
299 1 26 LEU MD2 1 27 ILE HA . . 4.760 4.323 4.001 4.540 . 0 0 "[ . 1 . 2]" 2
300 1 27 ILE HA 1 27 ILE MG . . 3.080 2.439 2.375 2.480 . 0 0 "[ . 1 . 2]" 2
301 1 29 HIS HE1 1 32 ILE MD . . 3.280 2.174 1.973 2.395 . 0 0 "[ . 1 . 2]" 2
302 1 32 ILE HA 1 32 ILE MD . . 4.180 4.062 4.024 4.146 . 0 0 "[ . 1 . 2]" 2
303 1 16 CYS HA 1 33 HIS HE1 . . 4.650 4.410 3.637 4.658 0.008 15 0 "[ . 1 . 2]" 2
304 1 16 CYS HB3 1 33 HIS HE1 . . 3.130 2.348 2.000 2.503 . 0 0 "[ . 1 . 2]" 2
305 1 15 GLU QB 1 33 HIS HE1 . . 4.240 3.769 3.121 4.189 . 0 0 "[ . 1 . 2]" 2
306 1 29 HIS HE1 1 32 ILE MG . . 4.520 4.183 3.869 4.430 . 0 0 "[ . 1 . 2]" 2
307 1 10 PRO HA 1 11 TYR H . . 3.510 3.470 3.390 3.522 0.012 4 0 "[ . 1 . 2]" 2
308 1 20 PHE HZ 1 29 HIS HE1 . . 4.390 4.010 3.726 4.271 . 0 0 "[ . 1 . 2]" 2
309 1 18 LYS QD 1 29 HIS HE1 . . 3.670 3.047 2.360 3.679 0.009 16 0 "[ . 1 . 2]" 2
310 1 29 HIS HE1 1 32 ILE HG12 . . 4.790 3.714 3.500 3.964 . 0 0 "[ . 1 . 2]" 2
311 1 27 ILE H 1 27 ILE MD . . 4.000 3.426 3.242 3.570 . 0 0 "[ . 1 . 2]" 2
312 1 10 PRO HA 1 11 TYR QD . . 5.360 5.129 4.916 5.252 . 0 0 "[ . 1 . 2]" 2
313 1 9 LYS HA 1 10 PRO HA . . 4.830 4.727 4.724 4.735 . 0 0 "[ . 1 . 2]" 2
314 1 24 SER HA 1 27 ILE MD . . 3.590 2.576 2.190 3.043 . 0 0 "[ . 1 . 2]" 2
315 1 27 ILE HA 1 27 ILE MD . . 4.040 3.852 3.814 3.882 . 0 0 "[ . 1 . 2]" 2
316 1 23 LYS HA 1 27 ILE MD . . 5.010 4.480 4.300 4.728 . 0 0 "[ . 1 . 2]" 2
317 1 27 ILE HB 1 27 ILE MD . . 3.250 2.325 2.214 2.405 . 0 0 "[ . 1 . 2]" 2
318 1 26 LEU HG 1 27 ILE MD . . 5.440 5.116 4.986 5.251 . 0 0 "[ . 1 . 2]" 2
319 1 23 LYS HG2 1 27 ILE MD . . 4.090 2.373 1.904 3.180 . 0 0 "[ . 1 . 2]" 2
320 1 11 TYR H 1 11 TYR HB3 . . 3.830 3.716 3.681 3.765 . 0 0 "[ . 1 . 2]" 2
321 1 11 TYR HB3 1 20 PHE QD . . 5.260 4.395 3.871 4.727 . 0 0 "[ . 1 . 2]" 2
322 1 11 TYR HB3 1 26 LEU H . . 5.500 5.153 4.810 5.468 . 0 0 "[ . 1 . 2]" 2
323 1 11 TYR HB2 1 20 PHE QD . . 5.100 4.076 3.695 4.413 . 0 0 "[ . 1 . 2]" 2
324 1 11 TYR HB2 1 26 LEU H . . 5.500 5.036 4.730 5.332 . 0 0 "[ . 1 . 2]" 2
325 1 11 TYR HB3 1 23 LYS HA . . 3.930 3.364 3.046 3.692 . 0 0 "[ . 1 . 2]" 2
326 1 11 TYR HB2 1 23 LYS HA . . 3.970 3.605 3.394 3.878 . 0 0 "[ . 1 . 2]" 2
327 1 11 TYR HB2 1 26 LEU HB3 . . 4.500 4.227 3.867 4.501 0.001 20 0 "[ . 1 . 2]" 2
328 1 31 ARG HB2 1 32 ILE HA . . 5.120 4.220 4.152 4.327 . 0 0 "[ . 1 . 2]" 2
329 1 11 TYR HB3 1 26 LEU HB2 . . 3.770 3.318 2.982 3.557 . 0 0 "[ . 1 . 2]" 2
330 1 11 TYR HB2 1 26 LEU HB2 . . 3.920 3.577 3.197 3.817 . 0 0 "[ . 1 . 2]" 2
331 1 11 TYR HB2 1 26 LEU MD2 . . 3.470 3.261 2.805 3.472 0.002 18 0 "[ . 1 . 2]" 2
332 1 31 ARG HB3 1 32 ILE HA . . 4.800 4.422 4.312 4.492 . 0 0 "[ . 1 . 2]" 2
333 1 32 ILE HA 1 32 ILE HB . . 2.920 2.377 2.350 2.394 . 0 0 "[ . 1 . 2]" 2
334 1 32 ILE HA 1 32 ILE HG12 . . 3.990 3.946 3.825 3.980 . 0 0 "[ . 1 . 2]" 2
335 1 32 ILE HA 1 32 ILE HG13 . . 3.990 3.533 3.520 3.587 . 0 0 "[ . 1 . 2]" 2
336 1 32 ILE HA 1 32 ILE MG . . 3.090 2.449 2.366 2.499 . 0 0 "[ . 1 . 2]" 2
337 1 22 SER H 1 25 TYR HB3 . . 4.860 4.693 4.397 4.867 0.007 1 0 "[ . 1 . 2]" 2
338 1 20 PHE QD 1 25 TYR HB3 . . 3.240 2.291 1.998 2.599 . 0 0 "[ . 1 . 2]" 2
339 1 20 PHE QE 1 25 TYR HB3 . . 4.790 3.909 3.697 4.240 . 0 0 "[ . 1 . 2]" 2
340 1 29 HIS HA 1 32 ILE HB . . 5.500 5.548 5.519 5.577 0.077 16 0 "[ . 1 . 2]" 2
341 1 24 SER HB2 1 27 ILE HB . . 5.500 5.158 4.494 5.512 0.012 18 0 "[ . 1 . 2]" 2
342 1 24 SER HB3 1 27 ILE HB . . 5.500 4.991 4.455 5.502 0.002 1 0 "[ . 1 . 2]" 2
343 1 24 SER HB2 1 27 ILE MD . . 5.500 4.743 4.211 5.392 . 0 0 "[ . 1 . 2]" 2
344 1 24 SER HB3 1 27 ILE MD . . 5.500 4.580 3.986 5.302 . 0 0 "[ . 1 . 2]" 2
345 1 24 SER HA 1 27 ILE H . . 4.160 3.541 3.363 3.712 . 0 0 "[ . 1 . 2]" 2
346 1 24 SER HA 1 27 ILE HB . . 3.360 2.798 2.667 2.878 . 0 0 "[ . 1 . 2]" 2
347 1 23 LYS HB3 1 24 SER HA . . 4.700 4.216 3.838 4.372 . 0 0 "[ . 1 . 2]" 2
348 1 29 HIS HD2 1 30 GLN HG3 . . 3.810 3.646 3.049 3.821 0.011 15 0 "[ . 1 . 2]" 2
349 1 29 HIS HD2 1 30 GLN HG2 . . 3.790 3.465 3.160 3.787 . 0 0 "[ . 1 . 2]" 2
350 1 26 LEU HA 1 30 GLN HG3 . . 4.910 4.143 3.972 4.347 . 0 0 "[ . 1 . 2]" 2
351 1 26 LEU HG 1 30 GLN HG2 . . 4.520 4.146 3.820 4.482 . 0 0 "[ . 1 . 2]" 2
352 1 26 LEU MD1 1 30 GLN HG2 . . 3.820 2.890 2.510 3.180 . 0 0 "[ . 1 . 2]" 2
353 1 26 LEU MD1 1 30 GLN HG3 . . 3.580 2.131 1.965 2.337 . 0 0 "[ . 1 . 2]" 2
354 1 15 GLU HG2 1 33 HIS HB3 . . 5.500 4.097 1.999 5.226 . 0 0 "[ . 1 . 2]" 2
355 1 10 PRO QD 1 21 SER HA . . 4.070 2.697 1.999 3.426 . 0 0 "[ . 1 . 2]" 2
356 1 11 TYR QD 1 21 SER HA . . 4.950 3.793 3.359 4.351 . 0 0 "[ . 1 . 2]" 2
357 1 9 LYS QB 1 21 SER HA . . 4.980 4.201 3.107 4.981 0.001 14 0 "[ . 1 . 2]" 2
358 1 30 GLN HA 1 32 ILE H . . 4.400 4.244 4.083 4.319 . 0 0 "[ . 1 . 2]" 2
359 1 30 GLN HA 1 33 HIS HD2 . . 3.130 2.275 2.047 2.393 . 0 0 "[ . 1 . 2]" 2
360 1 29 HIS HA 1 30 GLN HA . . 5.260 4.912 4.889 4.926 . 0 0 "[ . 1 . 2]" 2
361 1 30 GLN HA 1 31 ARG HA . . 5.500 4.832 4.806 4.849 . 0 0 "[ . 1 . 2]" 2
362 1 30 GLN HA 1 33 HIS HB2 . . 4.340 3.288 3.068 3.627 . 0 0 "[ . 1 . 2]" 2
363 1 18 LYS HB2 1 18 LYS QE . . 5.010 3.448 2.085 4.128 . 0 0 "[ . 1 . 2]" 2
364 1 30 GLN HA 1 30 GLN HG3 . . 3.590 3.085 2.875 3.231 . 0 0 "[ . 1 . 2]" 2
365 1 30 GLN HA 1 30 GLN HG2 . . 3.260 2.303 2.214 2.444 . 0 0 "[ . 1 . 2]" 2
366 1 26 LEU MD1 1 30 GLN HA . . 4.720 4.166 3.978 4.339 . 0 0 "[ . 1 . 2]" 2
367 1 30 GLN HA 1 32 ILE MG . . 5.290 5.030 4.734 5.215 . 0 0 "[ . 1 . 2]" 2
368 1 18 LYS H 1 18 LYS HB3 . . 3.720 2.880 2.595 3.540 . 0 0 "[ . 1 . 2]" 2
369 1 18 LYS HB3 1 20 PHE QE . . 3.950 2.289 1.999 2.956 . 0 0 "[ . 1 . 2]" 2
370 1 18 LYS HB2 1 20 PHE HZ . . 4.350 3.582 2.794 4.057 . 0 0 "[ . 1 . 2]" 2
371 1 24 SER HB2 1 25 TYR HA . . 5.500 4.570 4.027 5.418 . 0 0 "[ . 1 . 2]" 2
372 1 24 SER HB3 1 25 TYR HA . . 5.500 4.651 3.809 5.585 0.085 19 0 "[ . 1 . 2]" 2
373 1 13 CYS HB3 1 18 LYS HB3 . . 4.800 2.816 2.279 4.044 . 0 0 "[ . 1 . 2]" 2
374 1 18 LYS HB3 1 18 LYS QE . . 5.010 3.828 2.010 4.478 . 0 0 "[ . 1 . 2]" 2
375 1 29 HIS HA 1 29 HIS HB2 . . 2.950 2.374 2.316 2.395 . 0 0 "[ . 1 . 2]" 2
376 1 25 TYR HA 1 28 VAL HB . . 3.340 3.031 2.968 3.076 . 0 0 "[ . 1 . 2]" 2
377 1 18 LYS HB2 1 18 LYS QD . . 3.540 2.333 2.080 2.627 . 0 0 "[ . 1 . 2]" 2
378 1 18 LYS HB3 1 18 LYS QD . . 3.540 2.825 2.328 3.321 . 0 0 "[ . 1 . 2]" 2
379 1 28 VAL MG1 1 29 HIS HA . . 4.180 3.484 3.222 3.596 . 0 0 "[ . 1 . 2]" 2
380 1 29 HIS HA 1 32 ILE MD . . 4.530 4.416 4.106 4.540 0.010 14 0 "[ . 1 . 2]" 2
381 1 28 VAL H 1 29 HIS HA . . 5.340 5.203 5.145 5.253 . 0 0 "[ . 1 . 2]" 2
382 1 20 PHE QE 1 29 HIS HA . . 5.300 4.917 4.565 5.164 . 0 0 "[ . 1 . 2]" 2
383 1 29 HIS HA 1 32 ILE MG . . 4.060 2.721 2.544 2.913 . 0 0 "[ . 1 . 2]" 2
384 1 22 SER HA 1 23 LYS HA . . 4.580 4.321 4.305 4.356 . 0 0 "[ . 1 . 2]" 2
385 1 31 ARG HA 1 34 THR HB . . 4.520 4.166 3.874 4.523 0.003 2 0 "[ . 1 . 2]" 2
386 1 23 LYS HA 1 26 LEU HB3 . . 3.170 2.956 2.659 3.178 0.008 15 0 "[ . 1 . 2]" 2
387 1 31 ARG HA 1 31 ARG HG2 . . 3.280 2.564 2.383 2.688 . 0 0 "[ . 1 . 2]" 2
388 1 23 LYS HA 1 23 LYS HG3 . . 4.010 2.704 2.325 3.186 . 0 0 "[ . 1 . 2]" 2
389 1 15 GLU HA 1 16 CYS HA . . 5.010 4.557 4.532 4.580 . 0 0 "[ . 1 . 2]" 2
390 1 14 ASN HA 1 15 GLU HA . . 5.200 4.778 4.440 4.937 . 0 0 "[ . 1 . 2]" 2
391 1 26 LEU HA 1 29 HIS HA . . 5.500 5.324 5.231 5.392 . 0 0 "[ . 1 . 2]" 2
392 1 14 ASN QB 1 15 GLU HA . . 4.600 4.068 3.851 4.380 . 0 0 "[ . 1 . 2]" 2
393 1 15 GLU HA 1 15 GLU HG2 . . 3.940 2.907 2.266 3.715 . 0 0 "[ . 1 . 2]" 2
394 1 15 GLU HA 1 15 GLU HG3 . . 3.940 3.306 2.309 3.849 . 0 0 "[ . 1 . 2]" 2
395 1 20 PHE QE 1 26 LEU HA . . 3.990 3.425 3.229 3.737 . 0 0 "[ . 1 . 2]" 2
396 1 26 LEU HA 1 29 HIS HB3 . . 3.170 2.576 2.472 2.669 . 0 0 "[ . 1 . 2]" 2
397 1 26 LEU HA 1 26 LEU MD1 . . 2.990 2.220 1.976 2.431 . 0 0 "[ . 1 . 2]" 2
398 1 9 LYS QB 1 10 PRO QD . . 3.840 3.797 3.793 3.804 . 0 0 "[ . 1 . 2]" 2
399 1 9 LYS QB 1 19 ASP HB3 . . 4.090 3.159 2.503 4.042 . 0 0 "[ . 1 . 2]" 2
400 1 9 LYS QB 1 11 TYR H . . 4.920 4.167 3.825 4.447 . 0 0 "[ . 1 . 2]" 2
401 1 16 CYS HB2 1 17 GLY H . . 4.860 3.714 3.637 3.834 . 0 0 "[ . 1 . 2]" 2
402 1 17 GLY H 1 18 LYS HA . . 5.070 4.588 4.500 4.695 . 0 0 "[ . 1 . 2]" 2
403 1 18 LYS HA 1 19 ASP H . . 2.680 2.447 2.353 2.656 . 0 0 "[ . 1 . 2]" 2
404 1 18 LYS HA 1 19 ASP HA . . 4.810 4.467 4.418 4.540 . 0 0 "[ . 1 . 2]" 2
405 1 18 LYS HA 1 18 LYS HG2 . . 3.970 3.211 2.331 3.649 . 0 0 "[ . 1 . 2]" 2
406 1 18 LYS HA 1 18 LYS QD . . 4.360 3.415 1.974 4.129 . 0 0 "[ . 1 . 2]" 2
407 1 18 LYS HA 1 18 LYS HG3 . . 3.970 2.482 2.324 2.862 . 0 0 "[ . 1 . 2]" 2
408 1 16 CYS HB2 1 33 HIS HE1 . . 3.790 3.748 3.556 3.800 0.010 9 0 "[ . 1 . 2]" 2
409 1 11 TYR QD 1 22 SER H . . 4.670 4.238 3.262 4.671 0.001 3 0 "[ . 1 . 2]" 2
410 1 11 TYR QD 1 22 SER HA . . 3.740 3.469 2.952 3.722 . 0 0 "[ . 1 . 2]" 2
411 1 10 PRO QD 1 11 TYR QD . . 3.900 2.914 2.484 3.350 . 0 0 "[ . 1 . 2]" 2
412 1 11 TYR QD 1 23 LYS HA . . 3.800 3.210 2.754 3.445 . 0 0 "[ . 1 . 2]" 2
413 1 11 TYR QD 1 26 LEU HB3 . . 4.750 4.568 4.234 4.752 0.002 12 0 "[ . 1 . 2]" 2
414 1 10 PRO HG3 1 11 TYR QD . . 4.890 3.841 3.654 3.979 . 0 0 "[ . 1 . 2]" 2
415 1 10 PRO HG2 1 11 TYR QD . . 3.730 2.257 2.030 2.426 . 0 0 "[ . 1 . 2]" 2
416 1 15 GLU QB 1 16 CYS HB2 . . 5.270 4.931 4.879 4.994 . 0 0 "[ . 1 . 2]" 2
417 1 15 GLU QB 1 16 CYS HB3 . . 4.520 3.559 3.483 3.645 . 0 0 "[ . 1 . 2]" 2
418 1 11 TYR QD 1 23 LYS HB2 . . 4.100 3.584 3.119 4.092 . 0 0 "[ . 1 . 2]" 2
419 1 11 TYR QD 1 23 LYS HG3 . . 5.010 3.794 2.557 4.897 . 0 0 "[ . 1 . 2]" 2
420 1 11 TYR QD 1 26 LEU MD2 . . 3.590 3.062 2.808 3.352 . 0 0 "[ . 1 . 2]" 2
421 1 10 PRO HB3 1 11 TYR QD . . 5.130 4.980 4.844 5.092 . 0 0 "[ . 1 . 2]" 2
422 1 10 PRO HB2 1 11 TYR QD . . 4.520 3.976 3.808 4.076 . 0 0 "[ . 1 . 2]" 2
423 1 25 TYR HB3 1 28 VAL HB . . 5.050 4.962 4.770 5.067 0.017 19 0 "[ . 1 . 2]" 2
424 1 28 VAL HB 1 29 HIS HB3 . . 4.890 4.757 4.621 4.840 . 0 0 "[ . 1 . 2]" 2
425 1 28 VAL HB 1 29 HIS HB2 . . 5.100 4.410 4.343 4.568 . 0 0 "[ . 1 . 2]" 2
426 1 23 LYS HB3 1 27 ILE MD . . 4.820 3.730 2.941 4.220 . 0 0 "[ . 1 . 2]" 2
427 1 23 LYS HB2 1 27 ILE MD . . 4.910 4.562 4.256 4.869 . 0 0 "[ . 1 . 2]" 2
428 1 11 TYR QE 1 23 LYS HB3 . . 4.890 4.136 3.813 4.455 . 0 0 "[ . 1 . 2]" 2
429 1 8 GLU HA 1 9 LYS HA . . 4.620 4.466 4.358 4.623 0.003 5 0 "[ . 1 . 2]" 2
430 1 8 GLU HA 1 10 PRO QD . . 5.050 3.437 2.936 3.761 . 0 0 "[ . 1 . 2]" 2
431 1 8 GLU HA 1 8 GLU QG . . 3.830 2.838 2.253 3.449 . 0 0 "[ . 1 . 2]" 2
432 1 8 GLU HA 1 9 LYS QB . . 4.890 4.282 3.999 4.566 . 0 0 "[ . 1 . 2]" 2
433 1 19 ASP HA 1 20 PHE QD . . 3.680 3.086 2.704 3.575 . 0 0 "[ . 1 . 2]" 2
434 1 25 TYR HA 1 25 TYR QD . . 3.340 2.083 1.992 2.160 . 0 0 "[ . 1 . 2]" 2
435 1 12 GLY HA2 1 20 PHE QD . . 4.900 2.688 2.338 3.059 . 0 0 "[ . 1 . 2]" 2
436 1 20 PHE QD 1 29 HIS HB2 . . 5.040 4.464 4.210 4.689 . 0 0 "[ . 1 . 2]" 2
437 1 20 PHE QD 1 26 LEU HB3 . . 4.520 4.386 4.054 4.525 0.005 14 0 "[ . 1 . 2]" 2
438 1 25 TYR QD 1 28 VAL HB . . 4.720 4.285 3.851 4.516 . 0 0 "[ . 1 . 2]" 2
439 1 20 PHE QD 1 26 LEU HB2 . . 3.740 2.758 2.350 2.976 . 0 0 "[ . 1 . 2]" 2
440 1 20 PHE QD 1 26 LEU MD1 . . 3.170 2.472 2.180 2.696 . 0 0 "[ . 1 . 2]" 2
441 1 25 TYR QD 1 28 VAL MG1 . . 4.840 4.609 4.222 4.822 . 0 0 "[ . 1 . 2]" 2
442 1 20 PHE QD 1 25 TYR HA . . 4.920 4.582 4.196 4.907 . 0 0 "[ . 1 . 2]" 2
443 1 37 LYS HA 1 37 LYS QD . . 4.330 3.667 2.006 4.350 0.020 11 0 "[ . 1 . 2]" 2
444 1 22 SER HA 1 23 LYS HB2 . . 4.820 4.527 4.330 4.713 . 0 0 "[ . 1 . 2]" 2
445 1 36 GLU HB2 1 37 LYS H . . 4.940 4.077 2.906 4.652 . 0 0 "[ . 1 . 2]" 2
446 1 7 GLY QA 1 8 GLU QB . . 5.240 4.173 3.689 4.564 . 0 0 "[ . 1 . 2]" 2
447 1 28 VAL HA 1 31 ARG HB3 . . 5.090 5.037 4.893 5.097 0.007 4 0 "[ . 1 . 2]" 2
448 1 19 ASP H 1 20 PHE QE . . 5.370 4.179 3.773 4.400 . 0 0 "[ . 1 . 2]" 2
449 1 31 ARG H 1 31 ARG HB3 . . 3.800 3.588 3.580 3.590 . 0 0 "[ . 1 . 2]" 2
450 1 13 CYS HB2 1 20 PHE HZ . . 5.010 3.755 3.243 4.475 . 0 0 "[ . 1 . 2]" 2
451 1 13 CYS HB3 1 17 GLY HA2 . . 5.390 4.130 3.806 4.432 . 0 0 "[ . 1 . 2]" 2
452 1 12 GLY HA2 1 13 CYS HB2 . . 4.640 4.404 4.214 4.557 . 0 0 "[ . 1 . 2]" 2
453 1 28 VAL HA 1 31 ARG HB2 . . 4.940 4.031 3.900 4.160 . 0 0 "[ . 1 . 2]" 2
454 1 38 LEU HA 1 38 LEU HG . . 4.170 3.189 2.347 4.267 0.097 18 0 "[ . 1 . 2]" 2
455 1 13 CYS HB2 1 17 GLY H . . 4.920 4.467 4.298 4.631 . 0 0 "[ . 1 . 2]" 2
456 1 13 CYS HB3 1 18 LYS H . . 3.570 2.015 1.899 2.202 . 0 0 "[ . 1 . 2]" 2
457 1 13 CYS HB2 1 18 LYS H . . 4.060 3.668 3.484 3.911 . 0 0 "[ . 1 . 2]" 2
458 1 13 CYS HB3 1 20 PHE QD . . 5.100 4.918 4.602 5.098 . 0 0 "[ . 1 . 2]" 2
459 1 13 CYS HB2 1 20 PHE QD . . 4.420 4.013 3.753 4.278 . 0 0 "[ . 1 . 2]" 2
460 1 13 CYS HB3 1 20 PHE QE . . 3.500 3.021 2.688 3.343 . 0 0 "[ . 1 . 2]" 2
461 1 13 CYS HB2 1 20 PHE QE . . 3.080 2.131 2.000 2.493 . 0 0 "[ . 1 . 2]" 2
462 1 13 CYS HB3 1 19 ASP HA . . 5.410 5.234 4.848 5.413 0.003 10 0 "[ . 1 . 2]" 2
463 1 13 CYS HB3 1 17 GLY HA3 . . 5.390 5.162 4.901 5.398 0.008 7 0 "[ . 1 . 2]" 2
464 1 12 GLY HA2 1 13 CYS HB3 . . 4.830 4.710 4.618 4.795 . 0 0 "[ . 1 . 2]" 2
465 1 20 PHE QE 1 29 HIS HB3 . . 4.180 3.289 2.967 3.532 . 0 0 "[ . 1 . 2]" 2
466 1 13 CYS HB3 1 18 LYS HB2 . . 4.800 3.096 2.521 3.731 . 0 0 "[ . 1 . 2]" 2
467 1 18 LYS HB2 1 20 PHE QE . . 3.950 3.651 2.878 3.956 0.006 1 0 "[ . 1 . 2]" 2
468 1 13 CYS HB3 1 26 LEU MD1 . . 3.890 3.686 3.380 3.901 0.011 4 0 "[ . 1 . 2]" 2
469 1 13 CYS HB2 1 26 LEU MD1 . . 3.270 2.362 2.021 2.576 . 0 0 "[ . 1 . 2]" 2
470 1 18 LYS QD 1 20 PHE QE . . 4.890 3.477 2.450 4.542 . 0 0 "[ . 1 . 2]" 2
471 1 18 LYS QD 1 20 PHE HZ . . 4.410 2.836 1.976 4.280 . 0 0 "[ . 1 . 2]" 2
472 1 9 LYS HA 1 9 LYS HD2 . . 4.880 4.568 4.155 4.881 0.001 20 0 "[ . 1 . 2]" 2
473 1 9 LYS HA 1 9 LYS HD3 . . 4.880 4.550 4.118 4.812 . 0 0 "[ . 1 . 2]" 2
474 1 23 LYS HA 1 23 LYS HD2 . . 5.050 3.590 2.173 4.601 . 0 0 "[ . 1 . 2]" 2
475 1 23 LYS HA 1 23 LYS HD3 . . 5.050 4.088 2.067 4.846 . 0 0 "[ . 1 . 2]" 2
476 1 23 LYS HA 1 27 ILE HG13 . . 5.310 4.269 4.001 4.520 . 0 0 "[ . 1 . 2]" 2
477 1 26 LEU HB3 1 27 ILE HG12 . . 5.100 4.790 4.659 4.906 . 0 0 "[ . 1 . 2]" 2
478 1 26 LEU MD2 1 27 ILE HG13 . . 4.570 3.710 3.282 3.977 . 0 0 "[ . 1 . 2]" 2
479 1 18 LYS H 1 18 LYS QD . . 5.080 4.214 3.656 4.730 . 0 0 "[ . 1 . 2]" 2
480 1 24 SER HA 1 27 ILE HG13 . . 4.630 3.583 3.412 3.805 . 0 0 "[ . 1 . 2]" 2
481 1 24 SER HA 1 27 ILE HG12 . . 5.100 4.848 4.624 5.104 0.004 7 0 "[ . 1 . 2]" 2
482 1 23 LYS HE2 1 27 ILE HG12 . . 5.500 4.456 2.637 5.505 0.005 8 0 "[ . 1 . 2]" 2
483 1 23 LYS HE3 1 27 ILE HG12 . . 5.500 4.541 3.080 5.508 0.008 18 0 "[ . 1 . 2]" 2
484 1 33 HIS HB3 1 34 THR H . . 4.830 3.724 2.843 4.445 . 0 0 "[ . 1 . 2]" 2
485 1 33 HIS HB3 1 34 THR HA . . 5.220 4.458 4.066 4.891 . 0 0 "[ . 1 . 2]" 2
486 1 15 GLU HG3 1 33 HIS HB3 . . 5.500 3.650 2.063 5.492 . 0 0 "[ . 1 . 2]" 2
487 1 15 GLU QB 1 33 HIS HB3 . . 5.010 3.227 2.628 3.883 . 0 0 "[ . 1 . 2]" 2
488 1 33 HIS HB3 1 33 HIS HD2 . . 3.740 3.717 3.643 3.744 0.004 12 0 "[ . 1 . 2]" 2
489 1 30 GLN HA 1 33 HIS HB3 . . 5.220 4.906 4.701 5.172 . 0 0 "[ . 1 . 2]" 2
490 1 30 GLN H 1 30 GLN HB3 . . 3.640 3.593 3.576 3.607 . 0 0 "[ . 1 . 2]" 2
491 1 29 HIS HD2 1 30 GLN HB2 . . 5.000 4.879 4.618 5.010 0.010 8 0 "[ . 1 . 2]" 2
492 1 30 GLN HB3 1 31 ARG HA . . 5.030 4.339 4.254 4.412 . 0 0 "[ . 1 . 2]" 2
493 1 26 LEU HA 1 30 GLN HB2 . . 5.500 5.426 5.260 5.509 0.009 16 0 "[ . 1 . 2]" 2
494 1 30 GLN HB3 1 33 HIS HB2 . . 5.130 4.175 4.079 4.297 . 0 0 "[ . 1 . 2]" 2
495 1 26 LEU MD1 1 30 GLN HB3 . . 4.850 4.643 4.432 4.806 . 0 0 "[ . 1 . 2]" 2
496 1 20 PHE QE 1 29 HIS HB2 . . 3.690 2.751 2.288 3.125 . 0 0 "[ . 1 . 2]" 2
497 1 26 LEU HA 1 29 HIS HB2 . . 3.930 3.728 3.570 3.932 0.002 6 0 "[ . 1 . 2]" 2
498 1 26 LEU HB2 1 29 HIS HB3 . . 5.430 4.819 4.714 4.936 . 0 0 "[ . 1 . 2]" 2
499 1 26 LEU HG 1 29 HIS HB3 . . 5.500 4.721 4.559 4.926 . 0 0 "[ . 1 . 2]" 2
500 1 26 LEU MD1 1 29 HIS HB3 . . 4.010 3.067 2.758 3.323 . 0 0 "[ . 1 . 2]" 2
501 1 26 LEU MD1 1 29 HIS HB2 . . 4.840 4.497 4.198 4.769 . 0 0 "[ . 1 . 2]" 2
502 1 31 ARG HA 1 31 ARG HG3 . . 3.730 3.102 2.931 3.260 . 0 0 "[ . 1 . 2]" 2
503 1 20 PHE HZ 1 29 HIS HB3 . . 4.370 2.962 2.654 3.526 . 0 0 "[ . 1 . 2]" 2
504 1 20 PHE HZ 1 29 HIS HB2 . . 4.010 3.001 2.600 3.664 . 0 0 "[ . 1 . 2]" 2
505 1 31 ARG HB2 1 31 ARG HG3 . . 2.990 2.442 2.346 2.533 . 0 0 "[ . 1 . 2]" 2
506 1 18 LYS HG2 1 20 PHE HZ . . 4.750 3.101 2.000 4.584 . 0 0 "[ . 1 . 2]" 2
507 1 18 LYS HB3 1 20 PHE HZ . . 4.350 2.739 2.447 2.987 . 0 0 "[ . 1 . 2]" 2
508 1 18 LYS HG3 1 20 PHE HZ . . 4.750 4.181 3.165 4.752 0.002 10 0 "[ . 1 . 2]" 2
509 1 20 PHE HZ 1 26 LEU MD1 . . 4.970 3.730 3.230 4.207 . 0 0 "[ . 1 . 2]" 2
510 1 18 LYS H 1 20 PHE HZ . . 5.500 5.224 4.762 5.494 . 0 0 "[ . 1 . 2]" 2
511 1 19 ASP H 1 20 PHE HZ . . 5.500 4.926 4.375 5.349 . 0 0 "[ . 1 . 2]" 2
512 1 19 ASP HA 1 20 PHE HB2 . . 4.810 4.682 4.564 4.744 . 0 0 "[ . 1 . 2]" 2
513 1 11 TYR HB2 1 19 ASP HA . . 5.500 5.442 5.287 5.510 0.010 18 0 "[ . 1 . 2]" 2
514 1 13 CYS HB2 1 19 ASP HA . . 5.500 5.317 4.756 5.506 0.006 14 0 "[ . 1 . 2]" 2
515 1 9 LYS QB 1 19 ASP HA . . 5.000 4.508 4.285 4.941 . 0 0 "[ . 1 . 2]" 2
516 1 26 LEU H 1 26 LEU HG . . 4.410 4.335 4.265 4.410 . 0 0 "[ . 1 . 2]" 2
517 1 19 ASP HA 1 20 PHE QE . . 4.940 4.076 3.693 4.589 . 0 0 "[ . 1 . 2]" 2
518 1 26 LEU HA 1 26 LEU HG . . 3.910 3.269 3.160 3.371 . 0 0 "[ . 1 . 2]" 2
519 1 26 LEU HG 1 30 GLN HG3 . . 3.860 2.567 2.210 2.911 . 0 0 "[ . 1 . 2]" 2
520 1 29 HIS HE1 1 32 ILE HG13 . . 4.790 4.590 4.363 4.788 . 0 0 "[ . 1 . 2]" 2
521 1 9 LYS HA 1 10 PRO HG3 . . 5.130 4.921 4.910 4.950 . 0 0 "[ . 1 . 2]" 2
522 1 9 LYS HA 1 10 PRO HG2 . . 4.970 4.382 4.374 4.404 . 0 0 "[ . 1 . 2]" 2
523 1 10 PRO HG2 1 21 SER HA . . 5.410 4.571 3.859 5.405 . 0 0 "[ . 1 . 2]" 2
524 1 10 PRO HG2 1 11 TYR HB2 . . 5.130 4.211 4.048 4.456 . 0 0 "[ . 1 . 2]" 2
525 1 30 GLN HB2 1 33 HIS HD2 . . 5.500 5.243 4.898 5.374 . 0 0 "[ . 1 . 2]" 2
526 1 16 CYS H 1 33 HIS HD2 . . 5.240 4.704 4.091 5.110 . 0 0 "[ . 1 . 2]" 2
527 1 32 ILE H 1 33 HIS HD2 . . 5.500 4.813 4.609 5.218 . 0 0 "[ . 1 . 2]" 2
528 1 12 GLY HA2 1 26 LEU MD2 . . 4.960 3.894 3.468 4.365 . 0 0 "[ . 1 . 2]" 2
529 1 33 HIS HB2 1 33 HIS HD2 . . 3.450 2.694 2.689 2.697 . 0 0 "[ . 1 . 2]" 2
530 1 16 CYS HB3 1 33 HIS HD2 . . 5.500 4.853 4.481 5.035 . 0 0 "[ . 1 . 2]" 2
531 1 30 GLN HG3 1 33 HIS HD2 . . 5.500 4.896 4.673 5.126 . 0 0 "[ . 1 . 2]" 2
532 1 30 GLN HG2 1 33 HIS HD2 . . 3.910 3.668 3.228 3.893 . 0 0 "[ . 1 . 2]" 2
533 1 30 GLN HB3 1 33 HIS HD2 . . 4.620 4.510 3.893 4.636 0.016 17 0 "[ . 1 . 2]" 2
534 1 15 GLU QB 1 33 HIS HD2 . . 3.950 3.017 2.581 3.363 . 0 0 "[ . 1 . 2]" 2
535 1 13 CYS H 1 26 LEU MD2 . . 5.110 4.583 4.308 5.018 . 0 0 "[ . 1 . 2]" 2
536 1 29 HIS H 1 29 HIS HD2 . . 5.130 4.830 4.610 4.907 . 0 0 "[ . 1 . 2]" 2
537 1 20 PHE QD 1 26 LEU MD2 . . 4.570 3.705 3.406 4.076 . 0 0 "[ . 1 . 2]" 2
538 1 13 CYS HA 1 29 HIS HD2 . . 5.100 4.784 4.378 5.077 . 0 0 "[ . 1 . 2]" 2
539 1 29 HIS HD2 1 30 GLN HA . . 3.700 2.939 2.719 3.117 . 0 0 "[ . 1 . 2]" 2
540 1 23 LYS HA 1 26 LEU MD2 . . 3.780 3.417 3.108 3.732 . 0 0 "[ . 1 . 2]" 2
541 1 11 TYR HB3 1 26 LEU MD2 . . 3.220 1.976 1.861 2.089 . 0 0 "[ . 1 . 2]" 2
542 1 26 LEU HB2 1 26 LEU MD2 . . 3.380 2.392 2.254 2.476 . 0 0 "[ . 1 . 2]" 2
543 1 18 LYS H 1 18 LYS HG2 . . 4.550 4.555 4.279 4.645 0.095 17 0 "[ . 1 . 2]" 2
544 1 20 PHE QD 1 29 HIS HD2 . . 5.490 5.378 4.777 5.495 0.005 17 0 "[ . 1 . 2]" 2
545 1 20 PHE HZ 1 29 HIS HD2 . . 4.940 3.132 2.740 3.603 . 0 0 "[ . 1 . 2]" 2
546 1 29 HIS HA 1 29 HIS HD2 . . 5.060 4.480 4.374 4.669 . 0 0 "[ . 1 . 2]" 2
547 1 13 CYS HB3 1 29 HIS HD2 . . 4.150 3.826 3.558 4.052 . 0 0 "[ . 1 . 2]" 2
548 1 29 HIS HB3 1 29 HIS HD2 . . 3.630 2.785 2.746 2.841 . 0 0 "[ . 1 . 2]" 2
549 1 13 CYS HB2 1 29 HIS HD2 . . 3.230 2.814 2.569 3.137 . 0 0 "[ . 1 . 2]" 2
550 1 26 LEU MD1 1 29 HIS HD2 . . 3.290 3.119 2.651 3.292 0.002 8 0 "[ . 1 . 2]" 2
551 1 9 LYS HA 1 10 PRO QD . . 2.760 2.271 2.260 2.298 . 0 0 "[ . 1 . 2]" 2
552 1 7 GLY QA 1 10 PRO QD . . 5.240 3.172 2.561 4.054 . 0 0 "[ . 1 . 2]" 2
553 1 23 LYS H 1 23 LYS HG2 . . 4.930 4.518 4.380 4.653 . 0 0 "[ . 1 . 2]" 2
554 1 11 TYR QD 1 23 LYS HG2 . . 5.010 4.746 4.094 5.044 0.034 18 0 "[ . 1 . 2]" 2
555 1 11 TYR QE 1 23 LYS HG2 . . 4.840 4.267 3.619 4.808 . 0 0 "[ . 1 . 2]" 2
556 1 23 LYS HA 1 23 LYS HG2 . . 4.010 3.440 2.835 3.882 . 0 0 "[ . 1 . 2]" 2
557 1 23 LYS HG3 1 27 ILE MD . . 4.090 2.803 1.866 3.845 . 0 0 "[ . 1 . 2]" 2
558 1 9 LYS HA 1 9 LYS HG2 . . 4.010 2.771 2.317 3.850 . 0 0 "[ . 1 . 2]" 2
559 1 9 LYS HA 1 9 LYS HG3 . . 4.010 3.075 2.471 3.869 . 0 0 "[ . 1 . 2]" 2
560 1 9 LYS HG3 1 10 PRO QD . . 5.020 4.398 4.193 4.623 . 0 0 "[ . 1 . 2]" 2
561 1 40 GLY HA2 1 41 PRO QD . . 3.580 2.547 1.931 3.471 . 0 0 "[ . 1 . 2]" 2
562 1 9 LYS HG2 1 10 PRO QD . . 5.020 4.523 4.281 4.807 . 0 0 "[ . 1 . 2]" 2
563 1 12 GLY H 1 26 LEU MD1 . . 4.410 3.696 3.325 4.023 . 0 0 "[ . 1 . 2]" 2
564 1 26 LEU MD1 1 27 ILE H . . 4.770 4.129 3.997 4.289 . 0 0 "[ . 1 . 2]" 2
565 1 26 LEU MD1 1 30 GLN HE21 . . 4.410 2.246 1.871 3.254 . 0 0 "[ . 1 . 2]" 2
566 1 26 LEU MD1 1 30 GLN HE22 . . 4.410 3.584 3.273 4.068 . 0 0 "[ . 1 . 2]" 2
567 1 20 PHE QE 1 26 LEU MD1 . . 3.200 2.392 2.113 2.752 . 0 0 "[ . 1 . 2]" 2
568 1 13 CYS HA 1 26 LEU MD1 . . 3.300 2.491 2.115 2.869 . 0 0 "[ . 1 . 2]" 2
569 1 26 LEU MD1 1 27 ILE HA . . 4.910 4.320 4.104 4.490 . 0 0 "[ . 1 . 2]" 2
570 1 12 GLY HA2 1 26 LEU MD1 . . 4.540 3.301 3.077 3.696 . 0 0 "[ . 1 . 2]" 2
571 1 26 LEU MD1 1 30 GLN HB2 . . 4.670 4.064 3.817 4.320 . 0 0 "[ . 1 . 2]" 2
572 1 26 LEU HB2 1 26 LEU MD1 . . 3.160 2.333 2.224 2.443 . 0 0 "[ . 1 . 2]" 2
573 1 25 TYR QD 1 28 VAL MG2 . . 4.400 4.093 3.882 4.378 . 0 0 "[ . 1 . 2]" 2
574 1 27 ILE H 1 28 VAL MG2 . . 4.750 4.375 4.257 4.510 . 0 0 "[ . 1 . 2]" 2
575 1 25 TYR HA 1 28 VAL MG2 . . 3.540 3.090 2.788 3.378 . 0 0 "[ . 1 . 2]" 2
576 1 24 SER HA 1 28 VAL MG2 . . 4.780 3.725 3.483 3.996 . 0 0 "[ . 1 . 2]" 2
577 1 24 SER HB2 1 28 VAL MG2 . . 5.460 4.090 3.172 5.054 . 0 0 "[ . 1 . 2]" 2
578 1 24 SER HB3 1 28 VAL MG2 . . 5.460 3.982 3.077 4.890 . 0 0 "[ . 1 . 2]" 2
579 1 28 VAL HA 1 28 VAL MG2 . . 2.960 2.358 2.233 2.433 . 0 0 "[ . 1 . 2]" 2
580 1 28 VAL MG2 1 31 ARG QD . . 4.480 3.655 3.277 4.321 . 0 0 "[ . 1 . 2]" 2
581 1 27 ILE HB 1 28 VAL MG2 . . 4.290 3.189 3.097 3.405 . 0 0 "[ . 1 . 2]" 2
582 1 27 ILE HG13 1 28 VAL MG2 . . 5.500 5.216 5.139 5.400 . 0 0 "[ . 1 . 2]" 2
583 1 12 GLY HA3 1 19 ASP HA . . 3.360 3.277 3.114 3.368 0.008 14 0 "[ . 1 . 2]" 2
584 1 8 GLU HA 1 9 LYS QG . . 4.960 3.683 3.044 4.234 . 0 0 "[ . 1 . 2]" 2
585 1 9 LYS H 1 9 LYS QG . . 3.960 2.759 2.496 3.263 . 0 0 "[ . 1 . 2]" 2
586 1 9 LYS HA 1 9 LYS QG . . 3.470 2.551 2.236 3.343 . 0 0 "[ . 1 . 2]" 2
587 1 9 LYS QB 1 9 LYS QE . . 4.570 3.224 1.999 3.667 . 0 0 "[ . 1 . 2]" 2
588 1 9 LYS QB 1 19 ASP QB . . 3.520 2.823 2.464 3.525 0.005 7 0 "[ . 1 . 2]" 2
589 1 9 LYS QG 1 19 ASP QB . . 4.610 3.460 2.021 4.382 . 0 0 "[ . 1 . 2]" 2
590 1 9 LYS QG 1 21 SER QB . . 5.180 4.101 3.164 5.199 0.019 18 0 "[ . 1 . 2]" 2
591 1 9 LYS QD 1 19 ASP QB . . 4.000 2.743 1.909 3.879 . 0 0 "[ . 1 . 2]" 2
592 1 11 TYR QD 1 23 LYS QG . . 4.390 3.563 2.534 4.395 0.005 12 0 "[ . 1 . 2]" 2
593 1 11 TYR QD 1 23 LYS QD . . 4.940 3.260 2.054 4.681 . 0 0 "[ . 1 . 2]" 2
594 1 11 TYR QE 1 22 SER QB . . 5.340 5.071 4.440 5.340 0.000 4 0 "[ . 1 . 2]" 2
595 1 11 TYR QE 1 23 LYS QG . . 4.210 3.381 2.331 3.939 . 0 0 "[ . 1 . 2]" 2
596 1 11 TYR QE 1 23 LYS QD . . 4.830 2.372 1.985 3.437 . 0 0 "[ . 1 . 2]" 2
597 1 12 GLY HA2 1 19 ASP QB . . 4.420 3.901 3.542 4.058 . 0 0 "[ . 1 . 2]" 2
598 1 13 CYS H 1 18 LYS QB . . 4.720 3.420 3.082 3.960 . 0 0 "[ . 1 . 2]" 2
599 1 13 CYS H 1 19 ASP QB . . 5.330 4.887 4.294 5.186 . 0 0 "[ . 1 . 2]" 2
600 1 13 CYS HA 1 30 GLN QE . . 3.980 3.073 2.457 3.922 . 0 0 "[ . 1 . 2]" 2
601 1 13 CYS HB2 1 18 LYS QB . . 4.370 2.988 2.490 3.519 . 0 0 "[ . 1 . 2]" 2
602 1 13 CYS HB3 1 17 GLY QA . . 4.540 3.972 3.693 4.237 . 0 0 "[ . 1 . 2]" 2
603 1 13 CYS HB3 1 18 LYS QB . . 3.990 2.503 2.236 2.980 . 0 0 "[ . 1 . 2]" 2
604 1 14 ASN HA 1 17 GLY QA . . 5.340 3.563 3.088 4.312 . 0 0 "[ . 1 . 2]" 2
605 1 14 ASN QB 1 15 GLU QG . . 4.870 3.895 3.453 4.677 . 0 0 "[ . 1 . 2]" 2
606 1 15 GLU H 1 15 GLU QG . . 3.630 2.608 1.910 3.417 . 0 0 "[ . 1 . 2]" 2
607 1 15 GLU QG 1 16 CYS H . . 4.570 4.061 3.805 4.366 . 0 0 "[ . 1 . 2]" 2
608 1 15 GLU QG 1 33 HIS HB3 . . 4.630 3.133 1.984 4.303 . 0 0 "[ . 1 . 2]" 2
609 1 15 GLU QG 1 33 HIS HD2 . . 4.810 3.627 3.052 4.586 . 0 0 "[ . 1 . 2]" 2
610 1 16 CYS H 1 17 GLY QA . . 4.170 3.979 3.818 4.125 . 0 0 "[ . 1 . 2]" 2
611 1 16 CYS HA 1 17 GLY QA . . 5.340 4.240 4.227 4.250 . 0 0 "[ . 1 . 2]" 2
612 1 18 LYS H 1 18 LYS QB . . 3.080 2.267 2.136 2.370 . 0 0 "[ . 1 . 2]" 2
613 1 18 LYS HA 1 18 LYS QG . . 3.240 2.371 2.234 2.672 . 0 0 "[ . 1 . 2]" 2
614 1 18 LYS HA 1 19 ASP QB . . 4.700 4.532 3.930 4.655 . 0 0 "[ . 1 . 2]" 2
615 1 18 LYS QB 1 18 LYS QD . . 3.080 2.188 2.023 2.324 . 0 0 "[ . 1 . 2]" 2
616 1 18 LYS QB 1 19 ASP H . . 3.390 2.964 1.958 3.248 . 0 0 "[ . 1 . 2]" 2
617 1 18 LYS QB 1 20 PHE QE . . 3.390 2.235 1.988 2.597 . 0 0 "[ . 1 . 2]" 2
618 1 18 LYS QB 1 20 PHE HZ . . 3.570 2.643 2.407 2.890 . 0 0 "[ . 1 . 2]" 2
619 1 18 LYS QB 1 29 HIS HE1 . . 5.300 3.921 3.305 4.489 . 0 0 "[ . 1 . 2]" 2
620 1 18 LYS QG 1 19 ASP H . . 4.130 2.079 1.771 3.228 . 0 0 "[ . 1 . 2]" 2
621 1 18 LYS QG 1 19 ASP QB . . 5.180 4.450 3.725 5.233 0.053 9 0 "[ . 1 . 2]" 2
622 1 18 LYS QG 1 20 PHE QE . . 4.610 3.267 2.778 4.417 . 0 0 "[ . 1 . 2]" 2
623 1 18 LYS QG 1 20 PHE HZ . . 4.130 2.990 1.979 4.135 0.005 4 0 "[ . 1 . 2]" 2
624 1 19 ASP H 1 19 ASP QB . . 3.440 2.955 2.587 3.277 . 0 0 "[ . 1 . 2]" 2
625 1 19 ASP QB 1 20 PHE H . . 3.440 3.041 2.733 3.406 . 0 0 "[ . 1 . 2]" 2
626 1 19 ASP QB 1 20 PHE QD . . 5.200 4.595 4.345 4.907 . 0 0 "[ . 1 . 2]" 2
627 1 21 SER QB 1 25 TYR QD . . 4.570 3.831 3.259 4.538 . 0 0 "[ . 1 . 2]" 2
628 1 22 SER H 1 22 SER QB . . 3.590 2.452 2.295 2.964 . 0 0 "[ . 1 . 2]" 2
629 1 22 SER QB 1 23 LYS H . . 3.410 2.879 2.092 3.422 0.012 2 0 "[ . 1 . 2]" 2
630 1 22 SER QB 1 25 TYR H . . 3.550 2.637 2.328 3.041 . 0 0 "[ . 1 . 2]" 2
631 1 22 SER QB 1 25 TYR HB2 . . 4.660 2.997 2.265 3.559 . 0 0 "[ . 1 . 2]" 2
632 1 22 SER QB 1 25 TYR HB3 . . 5.250 4.427 3.881 4.903 . 0 0 "[ . 1 . 2]" 2
633 1 22 SER QB 1 25 TYR QD . . 4.030 2.018 1.835 2.391 . 0 0 "[ . 1 . 2]" 2
634 1 22 SER QB 1 26 LEU H . . 5.340 4.353 4.017 4.670 . 0 0 "[ . 1 . 2]" 2
635 1 23 LYS H 1 23 LYS QG . . 4.290 3.973 3.869 4.034 . 0 0 "[ . 1 . 2]" 2
636 1 23 LYS HA 1 23 LYS QG . . 3.310 2.600 2.244 3.042 . 0 0 "[ . 1 . 2]" 2
637 1 23 LYS HA 1 23 LYS QD . . 4.310 3.284 2.055 4.104 . 0 0 "[ . 1 . 2]" 2
638 1 23 LYS QG 1 24 SER HA . . 4.470 3.698 3.228 4.297 . 0 0 "[ . 1 . 2]" 2
639 1 23 LYS QG 1 26 LEU HB3 . . 4.690 3.808 3.257 4.185 . 0 0 "[ . 1 . 2]" 2
640 1 23 LYS QG 1 27 ILE HB . . 4.850 4.380 3.776 4.843 . 0 0 "[ . 1 . 2]" 2
641 1 23 LYS QG 1 27 ILE MG . . 5.060 4.695 4.269 5.052 . 0 0 "[ . 1 . 2]" 2
642 1 23 LYS QG 1 27 ILE MD . . 3.310 2.042 1.807 2.371 . 0 0 "[ . 1 . 2]" 2
643 1 23 LYS QE 1 27 ILE MD . . 4.330 2.644 1.974 3.567 . 0 0 "[ . 1 . 2]" 2
644 1 24 SER QB 1 28 VAL MG2 . . 4.690 3.356 3.004 3.967 . 0 0 "[ . 1 . 2]" 2
645 1 26 LEU HG 1 30 GLN QE . . 4.300 3.055 1.965 4.130 . 0 0 "[ . 1 . 2]" 2
646 1 26 LEU MD1 1 30 GLN QE . . 3.770 2.216 1.861 3.114 . 0 0 "[ . 1 . 2]" 2
647 1 26 LEU MD2 1 30 GLN QE . . 3.740 2.730 2.039 3.603 . 0 0 "[ . 1 . 2]" 2
648 1 29 HIS HA 1 32 ILE QG . . 4.430 3.476 3.268 3.939 . 0 0 "[ . 1 . 2]" 2
649 1 29 HIS HE1 1 32 ILE QG . . 4.180 3.563 3.365 3.776 . 0 0 "[ . 1 . 2]" 2
650 1 30 GLN QE 1 30 GLN HG2 . . 3.190 2.519 2.100 2.938 . 0 0 "[ . 1 . 2]" 2
651 1 31 ARG H 1 32 ILE QG . . 5.340 4.210 4.174 4.287 . 0 0 "[ . 1 . 2]" 2
652 1 32 ILE H 1 32 ILE QG . . 3.160 2.514 2.472 2.580 . 0 0 "[ . 1 . 2]" 2
653 1 34 THR HA 1 35 GLY QA . . 4.610 3.995 3.889 4.231 . 0 0 "[ . 1 . 2]" 2
654 1 35 GLY H 1 36 GLU QB . . 4.540 4.153 3.367 4.523 . 0 0 "[ . 1 . 2]" 2
655 1 36 GLU H 1 36 GLU QB . . 3.430 2.518 2.123 3.306 . 0 0 "[ . 1 . 2]" 2
656 1 36 GLU H 1 36 GLU QG . . 4.560 3.625 2.544 4.285 . 0 0 "[ . 1 . 2]" 2
657 1 36 GLU HA 1 36 GLU QG . . 3.720 2.572 2.255 3.450 . 0 0 "[ . 1 . 2]" 2
658 1 36 GLU QB 1 37 LYS H . . 4.330 3.253 1.935 4.042 . 0 0 "[ . 1 . 2]" 2
659 1 36 GLU QG 1 37 LYS H . . 4.640 3.829 2.143 4.442 . 0 0 "[ . 1 . 2]" 2
660 1 37 LYS H 1 37 LYS QB . . 3.540 2.530 2.133 3.323 . 0 0 "[ . 1 . 2]" 2
661 1 37 LYS H 1 37 LYS QG . . 4.650 3.206 1.911 4.110 . 0 0 "[ . 1 . 2]" 2
662 1 37 LYS QB 1 38 LEU H . . 4.250 3.258 2.217 4.047 . 0 0 "[ . 1 . 2]" 2
663 1 38 LEU H 1 38 LEU QB . . 3.510 2.439 2.146 2.946 . 0 0 "[ . 1 . 2]" 2
664 1 38 LEU HA 1 38 LEU QD . . 3.710 2.592 1.911 3.411 . 0 0 "[ . 1 . 2]" 2
665 1 40 GLY QA 1 41 PRO QD . . 3.050 1.988 1.882 2.275 . 0 0 "[ . 1 . 2]" 2
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