NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507760 |
2en7   |
10152 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2en7
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 65
_Distance_constraint_stats_list.Viol_total 2.069
_Distance_constraint_stats_list.Viol_max 0.008
_Distance_constraint_stats_list.Viol_rms 0.0011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0016
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 15 CYS 0.034 0.003 17 0 "[ . 1 . 2]"
1 18 CYS 0.061 0.008 16 0 "[ . 1 . 2]"
1 31 HIS 0.014 0.003 5 0 "[ . 1 . 2]"
1 35 HIS 0.018 0.003 17 0 "[ . 1 . 2]"
2 1 ZN 0.080 0.008 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.381 2.312 2.393 0.003 17 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.270 3.248 3.315 0.002 7 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.197 2.183 2.246 0.007 16 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.508 3.466 3.518 0.008 16 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.094 2.059 2.103 0.003 5 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 1.966 1.898 2.100 0.002 7 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.623 3.557 3.733 0.003 3 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.461 3.322 3.594 . 0 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.674 3.508 3.723 0.003 17 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.507 3.319 3.712 0.001 13 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.640 3.472 3.722 0.002 14 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.144 2.999 3.449 0.001 14 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 492
_Distance_constraint_stats_list.Viol_count 400
_Distance_constraint_stats_list.Viol_total 124.706
_Distance_constraint_stats_list.Viol_max 0.102
_Distance_constraint_stats_list.Viol_rms 0.0047
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0156
_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 0.003 0.003 15 0 "[ . 1 . 2]"
1 8 THR 0.003 0.003 15 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.963 0.102 15 0 "[ . 1 . 2]"
1 12 PRO 1.544 0.075 18 0 "[ . 1 . 2]"
1 13 TYR 1.928 0.095 12 0 "[ . 1 . 2]"
1 14 VAL 0.693 0.062 16 0 "[ . 1 . 2]"
1 15 CYS 0.413 0.028 2 0 "[ . 1 . 2]"
1 16 ASN 0.028 0.022 5 0 "[ . 1 . 2]"
1 17 GLU 0.144 0.044 3 0 "[ . 1 . 2]"
1 18 CYS 0.138 0.044 3 0 "[ . 1 . 2]"
1 19 GLY 0.273 0.030 7 0 "[ . 1 . 2]"
1 20 LYS 0.576 0.068 19 0 "[ . 1 . 2]"
1 21 ALA 0.652 0.030 7 0 "[ . 1 . 2]"
1 22 PHE 0.846 0.061 19 0 "[ . 1 . 2]"
1 23 ARG 0.094 0.046 4 0 "[ . 1 . 2]"
1 24 SER 0.167 0.041 7 0 "[ . 1 . 2]"
1 25 LYS 0.034 0.014 10 0 "[ . 1 . 2]"
1 26 SER 0.043 0.017 10 0 "[ . 1 . 2]"
1 27 TYR 0.468 0.037 10 0 "[ . 1 . 2]"
1 28 LEU 0.317 0.031 14 0 "[ . 1 . 2]"
1 29 ILE 0.052 0.014 10 0 "[ . 1 . 2]"
1 30 ILE 0.314 0.033 5 0 "[ . 1 . 2]"
1 31 HIS 0.314 0.064 13 0 "[ . 1 . 2]"
1 32 THR 0.137 0.026 20 0 "[ . 1 . 2]"
1 33 ARG 0.357 0.064 13 0 "[ . 1 . 2]"
1 34 THR 0.227 0.037 8 0 "[ . 1 . 2]"
1 35 HIS 0.042 0.016 14 0 "[ . 1 . 2]"
1 36 THR 0.272 0.045 2 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.019 0.019 5 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.031 0.031 8 0 "[ . 1 . 2]"
1 41 PRO 0.031 0.031 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 14 VAL H 1 15 CYS H . . 4.820 4.590 4.542 4.611 . 0 0 "[ . 1 . 2]" 2
2 1 14 VAL H 1 22 PHE H . . 4.720 4.354 4.280 4.419 . 0 0 "[ . 1 . 2]" 2
3 1 13 TYR H 1 14 VAL H . . 3.940 2.376 2.165 2.541 . 0 0 "[ . 1 . 2]" 2
4 1 13 TYR QD 1 14 VAL H . . 4.170 4.097 3.856 4.201 0.031 16 0 "[ . 1 . 2]" 2
5 1 14 VAL H 1 21 ALA HA . . 4.470 4.231 4.175 4.283 . 0 0 "[ . 1 . 2]" 2
6 1 14 VAL H 1 14 VAL HA . . 2.880 2.866 2.864 2.875 . 0 0 "[ . 1 . 2]" 2
7 1 14 VAL H 1 14 VAL HB . . 3.180 2.568 2.441 2.684 . 0 0 "[ . 1 . 2]" 2
8 1 14 VAL H 1 21 ALA MB . . 4.890 4.743 4.639 4.876 . 0 0 "[ . 1 . 2]" 2
9 1 14 VAL H 1 28 LEU MD2 . . 4.070 3.784 3.594 4.079 0.009 12 0 "[ . 1 . 2]" 2
10 1 14 VAL H 1 14 VAL MG2 . . 3.080 2.156 1.875 2.473 . 0 0 "[ . 1 . 2]" 2
11 1 35 HIS H 1 36 THR H . . 3.440 2.748 2.644 2.846 . 0 0 "[ . 1 . 2]" 2
12 1 33 ARG HA 1 36 THR H . . 4.480 3.939 3.627 4.247 . 0 0 "[ . 1 . 2]" 2
13 1 36 THR H 1 36 THR MG . . 3.720 2.927 1.920 3.765 0.045 2 0 "[ . 1 . 2]" 2
14 1 34 THR HB 1 36 THR H . . 5.280 5.214 4.844 5.302 0.022 9 0 "[ . 1 . 2]" 2
15 1 36 THR MG 1 37 GLY H . . 4.540 3.746 2.102 4.392 . 0 0 "[ . 1 . 2]" 2
16 1 36 THR H 1 37 GLY H . . 4.130 2.826 2.228 3.272 . 0 0 "[ . 1 . 2]" 2
17 1 35 HIS H 1 37 GLY H . . 5.040 4.733 4.091 4.979 . 0 0 "[ . 1 . 2]" 2
18 1 15 CYS HB2 1 21 ALA H . . 5.500 5.518 5.500 5.528 0.028 2 0 "[ . 1 . 2]" 2
19 1 21 ALA H 1 22 PHE H . . 4.630 4.522 4.437 4.580 . 0 0 "[ . 1 . 2]" 2
20 1 20 LYS H 1 21 ALA H . . 4.460 4.408 4.373 4.436 . 0 0 "[ . 1 . 2]" 2
21 1 21 ALA H 1 22 PHE QD . . 5.220 4.872 4.693 5.073 . 0 0 "[ . 1 . 2]" 2
22 1 14 VAL HA 1 21 ALA H . . 4.420 4.414 4.361 4.439 0.019 19 0 "[ . 1 . 2]" 2
23 1 19 GLY HA3 1 21 ALA H . . 5.500 5.465 5.287 5.530 0.030 7 0 "[ . 1 . 2]" 2
24 1 20 LYS HA 1 21 ALA H . . 2.930 2.148 2.143 2.158 . 0 0 "[ . 1 . 2]" 2
25 1 40 GLY H 1 41 PRO QD . . 5.050 3.477 1.892 4.341 . 0 0 "[ . 1 . 2]" 2
26 1 20 LYS HG3 1 21 ALA H . . 5.060 3.858 3.091 4.957 . 0 0 "[ . 1 . 2]" 2
27 1 21 ALA H 1 21 ALA MB . . 2.940 2.231 2.128 2.310 . 0 0 "[ . 1 . 2]" 2
28 1 14 VAL MG2 1 21 ALA H . . 4.280 4.160 3.899 4.299 0.019 11 0 "[ . 1 . 2]" 2
29 1 15 CYS H 1 21 ALA H . . 4.740 4.501 4.417 4.613 . 0 0 "[ . 1 . 2]" 2
30 1 21 ALA H 1 22 PHE QE . . 5.120 4.872 4.681 5.095 . 0 0 "[ . 1 . 2]" 2
31 1 32 THR H 1 34 THR H . . 4.660 4.380 4.215 4.519 . 0 0 "[ . 1 . 2]" 2
32 1 24 SER H 1 25 LYS H . . 4.490 4.437 4.395 4.464 . 0 0 "[ . 1 . 2]" 2
33 1 33 ARG H 1 34 THR H . . 3.280 2.504 2.342 2.786 . 0 0 "[ . 1 . 2]" 2
34 1 20 LYS H 1 22 PHE QE . . 4.710 4.294 4.002 4.541 . 0 0 "[ . 1 . 2]" 2
35 1 34 THR H 1 35 HIS HD2 . . 5.390 4.511 3.865 5.339 . 0 0 "[ . 1 . 2]" 2
36 1 31 HIS HA 1 34 THR H . . 3.830 3.223 2.922 3.558 . 0 0 "[ . 1 . 2]" 2
37 1 34 THR H 1 34 THR HB . . 3.700 3.026 2.259 3.622 . 0 0 "[ . 1 . 2]" 2
38 1 32 THR HA 1 34 THR H . . 4.610 4.300 3.804 4.599 . 0 0 "[ . 1 . 2]" 2
39 1 33 ARG QD 1 34 THR H . . 4.510 4.096 3.787 4.516 0.006 15 0 "[ . 1 . 2]" 2
40 1 33 ARG HG3 1 34 THR H . . 4.300 2.260 1.898 2.642 . 0 0 "[ . 1 . 2]" 2
41 1 33 ARG HG2 1 34 THR H . . 4.300 2.808 1.931 3.772 . 0 0 "[ . 1 . 2]" 2
42 1 34 THR H 1 34 THR MG . . 3.160 2.259 1.873 2.698 . 0 0 "[ . 1 . 2]" 2
43 1 23 ARG H 1 24 SER H . . 4.530 2.253 2.061 2.443 . 0 0 "[ . 1 . 2]" 2
44 1 22 PHE H 1 24 SER H . . 5.500 5.381 5.136 5.514 0.014 7 0 "[ . 1 . 2]" 2
45 1 17 GLU H 1 20 LYS H . . 5.290 4.722 4.454 5.067 . 0 0 "[ . 1 . 2]" 2
46 1 19 GLY H 1 20 LYS H . . 3.590 2.065 1.958 2.264 . 0 0 "[ . 1 . 2]" 2
47 1 24 SER H 1 27 TYR H . . 4.040 3.830 3.680 3.957 . 0 0 "[ . 1 . 2]" 2
48 1 13 TYR QD 1 24 SER H . . 4.640 4.549 4.367 4.647 0.007 6 0 "[ . 1 . 2]" 2
49 1 20 LYS H 1 22 PHE HZ . . 5.500 5.337 5.039 5.502 0.002 2 0 "[ . 1 . 2]" 2
50 1 18 CYS HA 1 20 LYS H . . 5.000 4.818 4.607 4.970 . 0 0 "[ . 1 . 2]" 2
51 1 15 CYS HA 1 20 LYS H . . 4.870 4.690 4.486 4.886 0.016 19 0 "[ . 1 . 2]" 2
52 1 24 SER H 1 27 TYR HA . . 5.500 5.453 5.263 5.518 0.018 17 0 "[ . 1 . 2]" 2
53 1 24 SER H 1 24 SER HB2 . . 4.010 3.193 2.602 3.883 . 0 0 "[ . 1 . 2]" 2
54 1 24 SER H 1 24 SER HB3 . . 4.010 3.393 2.775 3.881 . 0 0 "[ . 1 . 2]" 2
55 1 15 CYS HB2 1 20 LYS H . . 3.550 2.755 2.531 3.001 . 0 0 "[ . 1 . 2]" 2
56 1 22 PHE HB2 1 24 SER H . . 3.710 3.362 3.085 3.516 . 0 0 "[ . 1 . 2]" 2
57 1 24 SER H 1 27 TYR HB2 . . 4.140 2.797 2.554 3.103 . 0 0 "[ . 1 . 2]" 2
58 1 24 SER H 1 27 TYR HB3 . . 4.140 3.413 2.766 4.107 . 0 0 "[ . 1 . 2]" 2
59 1 15 CYS HB3 1 20 LYS H . . 3.620 2.043 1.925 2.206 . 0 0 "[ . 1 . 2]" 2
60 1 22 PHE HB3 1 24 SER H . . 3.680 2.916 2.754 3.099 . 0 0 "[ . 1 . 2]" 2
61 1 23 ARG QB 1 24 SER H . . 3.660 2.832 2.544 3.579 . 0 0 "[ . 1 . 2]" 2
62 1 20 LYS H 1 20 LYS HB2 . . 3.630 2.264 2.160 2.397 . 0 0 "[ . 1 . 2]" 2
63 1 20 LYS H 1 20 LYS HB3 . . 3.630 2.844 2.661 2.978 . 0 0 "[ . 1 . 2]" 2
64 1 14 VAL MG1 1 20 LYS H . . 4.210 3.504 3.230 3.819 . 0 0 "[ . 1 . 2]" 2
65 1 11 LYS H 1 12 PRO QD . . 4.610 3.958 2.075 4.379 . 0 0 "[ . 1 . 2]" 2
66 1 27 TYR HB3 1 28 LEU H . . 4.110 3.115 2.656 3.565 . 0 0 "[ . 1 . 2]" 2
67 1 10 MET QB 1 11 LYS H . . 4.200 3.200 2.165 4.006 . 0 0 "[ . 1 . 2]" 2
68 1 28 LEU H 1 29 ILE HB . . 5.110 4.623 4.468 4.852 . 0 0 "[ . 1 . 2]" 2
69 1 28 LEU H 1 28 LEU HG . . 4.280 4.221 4.067 4.289 0.009 7 0 "[ . 1 . 2]" 2
70 1 11 LYS H 1 11 LYS QD . . 4.630 3.634 2.109 4.640 0.010 16 0 "[ . 1 . 2]" 2
71 1 11 LYS H 1 11 LYS HG2 . . 4.840 3.922 1.899 4.591 . 0 0 "[ . 1 . 2]" 2
72 1 11 LYS H 1 11 LYS HG3 . . 4.840 3.581 2.416 4.134 . 0 0 "[ . 1 . 2]" 2
73 1 28 LEU H 1 29 ILE H . . 3.610 2.413 2.304 2.531 . 0 0 "[ . 1 . 2]" 2
74 1 28 LEU H 1 31 HIS H . . 4.980 4.869 4.786 4.965 . 0 0 "[ . 1 . 2]" 2
75 1 13 TYR QD 1 28 LEU H . . 5.330 5.042 4.740 5.230 . 0 0 "[ . 1 . 2]" 2
76 1 22 PHE QE 1 28 LEU H . . 5.160 5.118 5.027 5.191 0.031 14 0 "[ . 1 . 2]" 2
77 1 26 SER HA 1 28 LEU H . . 4.800 4.282 4.138 4.519 . 0 0 "[ . 1 . 2]" 2
78 1 25 LYS HA 1 28 LEU H . . 3.870 3.209 3.014 3.380 . 0 0 "[ . 1 . 2]" 2
79 1 27 TYR HB2 1 28 LEU H . . 4.110 3.352 2.814 3.750 . 0 0 "[ . 1 . 2]" 2
80 1 22 PHE HB3 1 28 LEU H . . 4.170 4.077 3.847 4.174 0.004 18 0 "[ . 1 . 2]" 2
81 1 28 LEU H 1 28 LEU HB2 . . 3.580 2.901 2.804 3.066 . 0 0 "[ . 1 . 2]" 2
82 1 28 LEU H 1 28 LEU HB3 . . 3.580 2.243 2.179 2.286 . 0 0 "[ . 1 . 2]" 2
83 1 28 LEU H 1 29 ILE HG13 . . 4.550 4.114 3.900 4.400 . 0 0 "[ . 1 . 2]" 2
84 1 28 LEU H 1 28 LEU MD2 . . 4.110 4.096 4.061 4.135 0.025 12 0 "[ . 1 . 2]" 2
85 1 28 LEU H 1 29 ILE MD . . 4.730 4.401 4.199 4.676 . 0 0 "[ . 1 . 2]" 2
86 1 29 ILE H 1 30 ILE H . . 3.740 2.639 2.483 2.785 . 0 0 "[ . 1 . 2]" 2
87 1 27 TYR HA 1 29 ILE H . . 4.660 4.357 4.043 4.578 . 0 0 "[ . 1 . 2]" 2
88 1 26 SER HA 1 29 ILE H . . 4.050 3.449 3.269 3.592 . 0 0 "[ . 1 . 2]" 2
89 1 25 LYS HA 1 29 ILE H . . 4.480 4.127 3.891 4.423 . 0 0 "[ . 1 . 2]" 2
90 1 28 LEU HB2 1 29 ILE H . . 4.350 4.134 4.025 4.244 . 0 0 "[ . 1 . 2]" 2
91 1 29 ILE H 1 29 ILE HB . . 3.390 2.486 2.418 2.552 . 0 0 "[ . 1 . 2]" 2
92 1 28 LEU HG 1 29 ILE H . . 4.110 3.529 3.227 3.822 . 0 0 "[ . 1 . 2]" 2
93 1 29 ILE H 1 29 ILE HG13 . . 3.470 2.263 2.101 2.410 . 0 0 "[ . 1 . 2]" 2
94 1 29 ILE H 1 29 ILE MD . . 3.250 3.164 3.081 3.254 0.004 12 0 "[ . 1 . 2]" 2
95 1 28 LEU HB3 1 29 ILE H . . 4.350 2.898 2.710 3.113 . 0 0 "[ . 1 . 2]" 2
96 1 16 ASN H 1 17 GLU H . . 4.450 2.801 2.633 2.994 . 0 0 "[ . 1 . 2]" 2
97 1 15 CYS H 1 17 GLU H . . 5.300 5.018 4.962 5.115 . 0 0 "[ . 1 . 2]" 2
98 1 17 GLU H 1 18 CYS H . . 3.220 2.129 1.845 2.527 . 0 0 "[ . 1 . 2]" 2
99 1 17 GLU H 1 18 CYS HA . . 5.160 4.732 4.506 5.038 . 0 0 "[ . 1 . 2]" 2
100 1 15 CYS HA 1 17 GLU H . . 3.980 3.513 3.284 3.734 . 0 0 "[ . 1 . 2]" 2
101 1 17 GLU H 1 19 GLY HA2 . . 5.000 4.583 4.378 4.859 . 0 0 "[ . 1 . 2]" 2
102 1 15 CYS HB2 1 17 GLU H . . 4.550 4.352 4.284 4.407 . 0 0 "[ . 1 . 2]" 2
103 1 15 CYS HB3 1 17 GLU H . . 3.960 3.024 2.864 3.300 . 0 0 "[ . 1 . 2]" 2
104 1 38 GLU H 1 38 GLU QG . . 4.100 3.388 1.895 4.119 0.019 5 0 "[ . 1 . 2]" 2
105 1 38 GLU H 1 38 GLU HB2 . . 3.980 2.834 2.181 3.698 . 0 0 "[ . 1 . 2]" 2
106 1 38 GLU H 1 38 GLU HB3 . . 3.980 2.895 2.379 3.737 . 0 0 "[ . 1 . 2]" 2
107 1 17 GLU H 1 17 GLU HG2 . . 3.910 2.890 2.377 3.920 0.010 3 0 "[ . 1 . 2]" 2
108 1 17 GLU H 1 17 GLU HG3 . . 3.910 3.552 2.561 3.915 0.005 18 0 "[ . 1 . 2]" 2
109 1 17 GLU H 1 17 GLU QB . . 3.040 2.625 2.448 2.761 . 0 0 "[ . 1 . 2]" 2
110 1 17 GLU H 1 28 LEU MD1 . . 4.990 4.872 4.579 5.000 0.010 10 0 "[ . 1 . 2]" 2
111 1 14 VAL MG1 1 17 GLU H . . 5.430 4.987 4.690 5.291 . 0 0 "[ . 1 . 2]" 2
112 1 32 THR H 1 33 ARG H . . 3.600 2.807 2.608 2.954 . 0 0 "[ . 1 . 2]" 2
113 1 32 THR HB 1 33 ARG H . . 4.160 3.473 2.540 4.128 . 0 0 "[ . 1 . 2]" 2
114 1 33 ARG H 1 33 ARG HG3 . . 3.570 2.936 2.194 3.530 . 0 0 "[ . 1 . 2]" 2
115 1 33 ARG H 1 33 ARG HG2 . . 3.570 1.973 1.884 2.240 . 0 0 "[ . 1 . 2]" 2
116 1 30 ILE H 1 32 THR H . . 4.590 4.379 4.142 4.595 0.005 18 0 "[ . 1 . 2]" 2
117 1 30 ILE H 1 31 HIS H . . 3.630 2.553 2.447 2.625 . 0 0 "[ . 1 . 2]" 2
118 1 27 TYR H 1 30 ILE H . . 4.900 4.893 4.791 4.933 0.033 5 0 "[ . 1 . 2]" 2
119 1 27 TYR HA 1 30 ILE H . . 3.970 3.768 3.548 3.948 . 0 0 "[ . 1 . 2]" 2
120 1 26 SER HA 1 30 ILE H . . 4.500 4.135 3.868 4.503 0.003 12 0 "[ . 1 . 2]" 2
121 1 30 ILE HA 1 33 ARG H . . 4.300 4.091 3.865 4.258 . 0 0 "[ . 1 . 2]" 2
122 1 30 ILE H 1 31 HIS HB3 . . 4.550 4.460 4.339 4.564 0.014 13 0 "[ . 1 . 2]" 2
123 1 29 ILE HB 1 30 ILE H . . 3.590 2.598 2.387 2.781 . 0 0 "[ . 1 . 2]" 2
124 1 30 ILE H 1 30 ILE HG13 . . 3.020 2.450 1.889 2.924 . 0 0 "[ . 1 . 2]" 2
125 1 33 ARG H 1 34 THR MG . . 4.130 3.940 3.593 4.167 0.037 8 0 "[ . 1 . 2]" 2
126 1 30 ILE H 1 30 ILE HG12 . . 3.480 2.681 2.236 3.286 . 0 0 "[ . 1 . 2]" 2
127 1 30 ILE H 1 30 ILE MG . . 3.190 2.340 2.047 2.502 . 0 0 "[ . 1 . 2]" 2
128 1 31 HIS HD2 1 33 ARG H . . 4.980 4.646 4.460 4.938 . 0 0 "[ . 1 . 2]" 2
129 1 26 SER QB 1 27 TYR H . . 3.610 3.026 2.586 3.595 . 0 0 "[ . 1 . 2]" 2
130 1 22 PHE HB2 1 27 TYR H . . 5.190 4.802 4.493 4.957 . 0 0 "[ . 1 . 2]" 2
131 1 27 TYR H 1 28 LEU HA . . 5.500 5.129 4.970 5.235 . 0 0 "[ . 1 . 2]" 2
132 1 27 TYR H 1 27 TYR HB2 . . 3.680 2.245 2.177 2.398 . 0 0 "[ . 1 . 2]" 2
133 1 22 PHE HB3 1 27 TYR H . . 4.570 4.539 4.285 4.607 0.037 10 0 "[ . 1 . 2]" 2
134 1 27 TYR H 1 30 ILE HG12 . . 5.150 4.705 4.402 5.141 . 0 0 "[ . 1 . 2]" 2
135 1 27 TYR H 1 29 ILE MD . . 4.620 4.481 4.199 4.617 . 0 0 "[ . 1 . 2]" 2
136 1 27 TYR H 1 29 ILE H . . 4.370 3.901 3.698 4.003 . 0 0 "[ . 1 . 2]" 2
137 1 24 SER HB2 1 27 TYR H . . 4.800 3.658 2.761 4.800 . 0 0 "[ . 1 . 2]" 2
138 1 27 TYR H 1 27 TYR HB3 . . 3.680 3.146 2.846 3.490 . 0 0 "[ . 1 . 2]" 2
139 1 13 TYR H 1 22 PHE QD . . 5.500 5.449 5.266 5.522 0.022 8 0 "[ . 1 . 2]" 2
140 1 13 TYR H 1 13 TYR QD . . 3.460 2.065 1.955 2.271 . 0 0 "[ . 1 . 2]" 2
141 1 13 TYR H 1 13 TYR QE . . 3.910 3.846 3.770 4.005 0.095 12 0 "[ . 1 . 2]" 2
142 1 13 TYR H 1 21 ALA HA . . 5.380 5.230 5.057 5.360 . 0 0 "[ . 1 . 2]" 2
143 1 12 PRO HA 1 13 TYR H . . 3.570 3.495 3.467 3.574 0.004 16 0 "[ . 1 . 2]" 2
144 1 12 PRO QD 1 13 TYR H . . 3.680 3.256 2.741 3.427 . 0 0 "[ . 1 . 2]" 2
145 1 13 TYR H 1 22 PHE HB2 . . 5.330 5.300 5.137 5.356 0.026 20 0 "[ . 1 . 2]" 2
146 1 13 TYR H 1 13 TYR HB2 . . 3.340 2.943 2.878 3.059 . 0 0 "[ . 1 . 2]" 2
147 1 12 PRO HB3 1 13 TYR H . . 3.770 3.452 3.326 3.841 0.071 8 0 "[ . 1 . 2]" 2
148 1 12 PRO HG2 1 13 TYR H . . 4.010 1.822 1.813 1.853 . 0 0 "[ . 1 . 2]" 2
149 1 12 PRO HG3 1 13 TYR H . . 4.010 3.325 3.273 3.491 . 0 0 "[ . 1 . 2]" 2
150 1 12 PRO HB2 1 13 TYR H . . 3.770 2.089 1.853 2.811 . 0 0 "[ . 1 . 2]" 2
151 1 13 TYR H 1 28 LEU MD2 . . 4.900 4.538 4.343 4.786 . 0 0 "[ . 1 . 2]" 2
152 1 13 TYR H 1 14 VAL MG2 . . 4.070 3.053 2.849 3.419 . 0 0 "[ . 1 . 2]" 2
153 1 31 HIS H 1 32 THR H . . 3.590 2.332 2.208 2.446 . 0 0 "[ . 1 . 2]" 2
154 1 29 ILE H 1 31 HIS H . . 4.610 3.825 3.693 3.940 . 0 0 "[ . 1 . 2]" 2
155 1 31 HIS H 1 33 ARG H . . 3.980 3.730 3.610 3.960 . 0 0 "[ . 1 . 2]" 2
156 1 31 HIS H 1 31 HIS HD2 . . 4.350 4.263 4.172 4.355 0.005 9 0 "[ . 1 . 2]" 2
157 1 31 HIS H 1 32 THR HB . . 4.510 4.466 4.348 4.536 0.026 20 0 "[ . 1 . 2]" 2
158 1 29 ILE HA 1 31 HIS H . . 4.250 3.821 3.739 3.939 . 0 0 "[ . 1 . 2]" 2
159 1 28 LEU HA 1 31 HIS H . . 3.880 3.456 3.323 3.557 . 0 0 "[ . 1 . 2]" 2
160 1 31 HIS H 1 31 HIS HB2 . . 3.350 3.163 3.115 3.197 . 0 0 "[ . 1 . 2]" 2
161 1 31 HIS H 1 31 HIS HB3 . . 3.380 2.249 2.232 2.272 . 0 0 "[ . 1 . 2]" 2
162 1 29 ILE HB 1 31 HIS H . . 5.150 4.709 4.533 4.863 . 0 0 "[ . 1 . 2]" 2
163 1 30 ILE HG13 1 31 HIS H . . 3.430 2.531 2.320 2.798 . 0 0 "[ . 1 . 2]" 2
164 1 28 LEU MD1 1 31 HIS H . . 4.760 4.377 4.127 4.751 . 0 0 "[ . 1 . 2]" 2
165 1 30 ILE MG 1 31 HIS H . . 4.160 4.083 3.995 4.143 . 0 0 "[ . 1 . 2]" 2
166 1 22 PHE QD 1 23 ARG H . . 4.970 3.854 3.750 4.053 . 0 0 "[ . 1 . 2]" 2
167 1 34 THR H 1 35 HIS H . . 3.260 2.730 2.535 2.830 . 0 0 "[ . 1 . 2]" 2
168 1 35 HIS H 1 35 HIS HD2 . . 3.860 2.958 2.230 3.599 . 0 0 "[ . 1 . 2]" 2
169 1 34 THR HB 1 35 HIS H . . 4.270 3.956 3.784 4.182 . 0 0 "[ . 1 . 2]" 2
170 1 32 THR HA 1 35 HIS H . . 4.150 3.778 3.603 4.097 . 0 0 "[ . 1 . 2]" 2
171 1 34 THR MG 1 35 HIS H . . 4.170 3.068 1.889 3.986 . 0 0 "[ . 1 . 2]" 2
172 1 16 ASN H 1 17 GLU QB . . 5.190 4.660 4.562 4.871 . 0 0 "[ . 1 . 2]" 2
173 1 16 ASN H 1 28 LEU MD1 . . 4.920 3.778 3.518 4.289 . 0 0 "[ . 1 . 2]" 2
174 1 13 TYR H 1 22 PHE H . . 4.490 4.417 4.268 4.520 0.030 17 0 "[ . 1 . 2]" 2
175 1 15 CYS H 1 22 PHE H . . 5.230 4.764 4.472 5.008 . 0 0 "[ . 1 . 2]" 2
176 1 22 PHE H 1 22 PHE QD . . 3.560 2.513 2.147 2.900 . 0 0 "[ . 1 . 2]" 2
177 1 13 TYR QD 1 22 PHE H . . 4.920 4.029 3.785 4.230 . 0 0 "[ . 1 . 2]" 2
178 1 22 PHE H 1 22 PHE QE . . 4.960 4.567 4.277 4.832 . 0 0 "[ . 1 . 2]" 2
179 1 21 ALA HA 1 22 PHE H . . 3.390 2.180 2.142 2.250 . 0 0 "[ . 1 . 2]" 2
180 1 14 VAL HA 1 22 PHE H . . 3.770 3.031 2.792 3.229 . 0 0 "[ . 1 . 2]" 2
181 1 22 PHE H 1 22 PHE HB2 . . 3.920 2.717 2.638 2.780 . 0 0 "[ . 1 . 2]" 2
182 1 13 TYR HB2 1 22 PHE H . . 3.620 3.005 2.744 3.190 . 0 0 "[ . 1 . 2]" 2
183 1 38 GLU QG 1 39 SER H . . 4.910 3.388 1.987 4.507 . 0 0 "[ . 1 . 2]" 2
184 1 14 VAL HB 1 22 PHE H . . 5.500 5.485 5.396 5.515 0.015 8 0 "[ . 1 . 2]" 2
185 1 21 ALA MB 1 22 PHE H . . 3.420 3.016 2.787 3.212 . 0 0 "[ . 1 . 2]" 2
186 1 14 VAL MG2 1 22 PHE H . . 3.910 3.143 2.917 3.363 . 0 0 "[ . 1 . 2]" 2
187 1 31 HIS HD2 1 32 THR H . . 4.220 2.590 2.336 3.092 . 0 0 "[ . 1 . 2]" 2
188 1 32 THR H 1 32 THR HB . . 3.590 2.531 2.311 2.757 . 0 0 "[ . 1 . 2]" 2
189 1 28 LEU HA 1 32 THR H . . 4.310 3.907 3.651 4.185 . 0 0 "[ . 1 . 2]" 2
190 1 31 HIS HB2 1 32 THR H . . 4.330 4.000 3.873 4.161 . 0 0 "[ . 1 . 2]" 2
191 1 31 HIS HB3 1 32 THR H . . 4.070 2.698 2.523 2.932 . 0 0 "[ . 1 . 2]" 2
192 1 32 THR H 1 32 THR MG . . 3.790 3.141 2.341 3.773 . 0 0 "[ . 1 . 2]" 2
193 1 32 THR H 1 34 THR MG . . 5.060 4.676 4.404 4.946 . 0 0 "[ . 1 . 2]" 2
194 1 28 LEU MD1 1 32 THR H . . 4.060 3.442 3.093 3.834 . 0 0 "[ . 1 . 2]" 2
195 1 29 ILE MG 1 32 THR H . . 4.970 4.767 4.436 4.971 0.001 2 0 "[ . 1 . 2]" 2
196 1 32 THR H 1 32 THR HG1 . . 4.260 3.338 1.899 4.273 0.013 4 0 "[ . 1 . 2]" 2
197 1 15 CYS H 1 20 LYS H . . 4.130 3.205 2.944 3.464 . 0 0 "[ . 1 . 2]" 2
198 1 15 CYS H 1 22 PHE QD . . 4.500 3.631 3.423 3.805 . 0 0 "[ . 1 . 2]" 2
199 1 15 CYS H 1 22 PHE QE . . 4.000 3.013 2.617 3.322 . 0 0 "[ . 1 . 2]" 2
200 1 15 CYS H 1 21 ALA HA . . 4.020 3.447 3.390 3.553 . 0 0 "[ . 1 . 2]" 2
201 1 14 VAL HA 1 15 CYS H . . 3.270 2.205 2.156 2.244 . 0 0 "[ . 1 . 2]" 2
202 1 15 CYS H 1 15 CYS HB2 . . 3.580 2.245 2.181 2.317 . 0 0 "[ . 1 . 2]" 2
203 1 15 CYS H 1 15 CYS HB3 . . 3.530 2.878 2.815 2.946 . 0 0 "[ . 1 . 2]" 2
204 1 14 VAL HB 1 15 CYS H . . 4.360 3.955 3.758 4.140 . 0 0 "[ . 1 . 2]" 2
205 1 15 CYS H 1 20 LYS HB2 . . 4.480 4.339 4.145 4.487 0.007 3 0 "[ . 1 . 2]" 2
206 1 15 CYS H 1 20 LYS HB3 . . 4.480 3.298 3.179 3.430 . 0 0 "[ . 1 . 2]" 2
207 1 15 CYS H 1 28 LEU MD1 . . 3.840 2.821 2.527 3.124 . 0 0 "[ . 1 . 2]" 2
208 1 14 VAL MG1 1 15 CYS H . . 3.410 2.116 1.878 2.417 . 0 0 "[ . 1 . 2]" 2
209 1 15 CYS HA 1 18 CYS H . . 5.160 4.583 4.421 4.668 . 0 0 "[ . 1 . 2]" 2
210 1 16 ASN HA 1 18 CYS H . . 5.500 4.665 4.452 5.205 . 0 0 "[ . 1 . 2]" 2
211 1 18 CYS H 1 19 GLY HA2 . . 4.500 4.233 4.138 4.507 0.007 3 0 "[ . 1 . 2]" 2
212 1 15 CYS HB2 1 18 CYS H . . 4.130 4.095 4.067 4.128 . 0 0 "[ . 1 . 2]" 2
213 1 15 CYS HB3 1 18 CYS H . . 3.650 2.454 2.404 2.528 . 0 0 "[ . 1 . 2]" 2
214 1 18 CYS H 1 18 CYS HB3 . . 3.970 3.082 2.858 3.136 . 0 0 "[ . 1 . 2]" 2
215 1 17 GLU HG2 1 18 CYS H . . 4.720 4.277 4.096 4.720 0.000 11 0 "[ . 1 . 2]" 2
216 1 17 GLU QB 1 18 CYS H . . 3.170 2.445 2.031 2.651 . 0 0 "[ . 1 . 2]" 2
217 1 14 VAL MG1 1 18 CYS H . . 5.460 5.193 5.010 5.460 . 0 0 "[ . 1 . 2]" 2
218 1 15 CYS H 1 18 CYS H . . 5.450 5.182 5.069 5.334 . 0 0 "[ . 1 . 2]" 2
219 1 18 CYS H 1 28 LEU MD1 . . 5.420 5.379 5.208 5.437 0.017 7 0 "[ . 1 . 2]" 2
220 1 15 CYS H 1 19 GLY H . . 4.330 3.943 3.808 4.167 . 0 0 "[ . 1 . 2]" 2
221 1 17 GLU H 1 19 GLY H . . 3.890 3.084 2.878 3.384 . 0 0 "[ . 1 . 2]" 2
222 1 18 CYS H 1 19 GLY H . . 3.080 1.978 1.897 2.178 . 0 0 "[ . 1 . 2]" 2
223 1 17 GLU QB 1 19 GLY H . . 4.780 4.232 3.975 4.407 . 0 0 "[ . 1 . 2]" 2
224 1 14 VAL MG1 1 19 GLY H . . 3.750 3.746 3.668 3.772 0.022 1 0 "[ . 1 . 2]" 2
225 1 13 TYR QE 1 26 SER H . . 5.500 5.439 5.236 5.517 0.017 10 0 "[ . 1 . 2]" 2
226 1 15 CYS HA 1 19 GLY H . . 4.840 4.421 4.271 4.572 . 0 0 "[ . 1 . 2]" 2
227 1 16 ASN HA 1 19 GLY H . . 5.220 4.470 4.286 4.700 . 0 0 "[ . 1 . 2]" 2
228 1 16 ASN HA 1 16 ASN HD22 . . 4.580 4.150 3.574 4.563 . 0 0 "[ . 1 . 2]" 2
229 1 15 CYS HB2 1 19 GLY H . . 3.730 3.550 3.500 3.602 . 0 0 "[ . 1 . 2]" 2
230 1 15 CYS HB3 1 19 GLY H . . 3.880 1.894 1.884 1.903 . 0 0 "[ . 1 . 2]" 2
231 1 16 ASN QB 1 16 ASN HD22 . . 3.500 3.278 3.216 3.385 . 0 0 "[ . 1 . 2]" 2
232 1 26 SER H 1 29 ILE HB . . 5.500 5.185 4.982 5.507 0.007 12 0 "[ . 1 . 2]" 2
233 1 19 GLY H 1 28 LEU MD1 . . 5.400 5.216 5.068 5.324 . 0 0 "[ . 1 . 2]" 2
234 1 16 ASN HA 1 16 ASN HD21 . . 4.580 3.481 2.200 4.219 . 0 0 "[ . 1 . 2]" 2
235 1 13 TYR QE 1 25 LYS H . . 4.100 2.946 2.663 3.122 . 0 0 "[ . 1 . 2]" 2
236 1 24 SER HB2 1 25 LYS H . . 4.190 3.218 2.071 3.890 . 0 0 "[ . 1 . 2]" 2
237 1 13 TYR HB3 1 25 LYS H . . 4.760 3.988 3.483 4.315 . 0 0 "[ . 1 . 2]" 2
238 1 25 LYS H 1 25 LYS QE . . 5.300 4.615 3.863 5.262 . 0 0 "[ . 1 . 2]" 2
239 1 25 LYS H 1 25 LYS HB2 . . 3.670 2.652 2.172 3.612 . 0 0 "[ . 1 . 2]" 2
240 1 25 LYS H 1 25 LYS HB3 . . 3.670 2.838 2.342 3.514 . 0 0 "[ . 1 . 2]" 2
241 1 25 LYS H 1 27 TYR H . . 4.930 4.058 3.895 4.378 . 0 0 "[ . 1 . 2]" 2
242 1 13 TYR QD 1 25 LYS H . . 4.410 2.439 1.987 2.716 . 0 0 "[ . 1 . 2]" 2
243 1 24 SER HB3 1 25 LYS H . . 4.190 3.092 2.251 3.854 . 0 0 "[ . 1 . 2]" 2
244 1 33 ARG HA 1 35 HIS H . . 3.940 3.798 3.451 3.945 0.005 14 0 "[ . 1 . 2]" 2
245 1 18 CYS H 1 19 GLY HA3 . . 4.890 4.678 4.594 4.895 0.005 3 0 "[ . 1 . 2]" 2
246 1 9 GLY QA 1 10 MET QB . . 4.390 4.162 3.814 4.373 . 0 0 "[ . 1 . 2]" 2
247 1 7 GLY QA 1 8 THR MG . . 5.140 4.294 3.441 5.143 0.003 15 0 "[ . 1 . 2]" 2
248 1 40 GLY HA3 1 41 PRO QD . . 3.440 2.477 1.935 3.434 . 0 0 "[ . 1 . 2]" 2
249 1 31 HIS HA 1 33 ARG QD . . 4.950 4.640 4.291 5.014 0.064 13 0 "[ . 1 . 2]" 2
250 1 30 ILE HA 1 33 ARG QD . . 4.130 2.378 1.796 3.329 . 0 0 "[ . 1 . 2]" 2
251 1 33 ARG H 1 33 ARG QD . . 3.930 3.735 3.184 3.966 0.036 10 0 "[ . 1 . 2]" 2
252 1 27 TYR H 1 30 ILE MG . . 5.500 4.898 4.742 5.049 . 0 0 "[ . 1 . 2]" 2
253 1 29 ILE MG 1 33 ARG H . . 5.500 4.614 4.339 4.910 . 0 0 "[ . 1 . 2]" 2
254 1 27 TYR HA 1 30 ILE MG . . 3.750 3.491 3.232 3.755 0.005 13 0 "[ . 1 . 2]" 2
255 1 30 ILE MG 1 33 ARG QD . . 4.170 3.613 3.201 4.199 0.029 13 0 "[ . 1 . 2]" 2
256 1 29 ILE H 1 29 ILE MG . . 3.820 3.757 3.742 3.770 . 0 0 "[ . 1 . 2]" 2
257 1 36 THR H 1 36 THR HB . . 4.190 3.179 2.392 3.973 . 0 0 "[ . 1 . 2]" 2
258 1 23 ARG HA 1 23 ARG QD . . 4.290 3.545 2.088 4.336 0.046 4 0 "[ . 1 . 2]" 2
259 1 26 SER HA 1 29 ILE MG . . 4.560 4.032 3.845 4.184 . 0 0 "[ . 1 . 2]" 2
260 1 26 SER HA 1 30 ILE MG . . 4.840 3.910 3.670 4.220 . 0 0 "[ . 1 . 2]" 2
261 1 29 ILE HG13 1 29 ILE MG . . 3.380 3.139 3.125 3.161 . 0 0 "[ . 1 . 2]" 2
262 1 11 LYS HA 1 11 LYS QE . . 4.300 4.106 2.769 4.402 0.102 15 0 "[ . 1 . 2]" 2
263 1 11 LYS QE 1 14 VAL HB . . 4.430 3.543 2.514 4.492 0.062 16 0 "[ . 1 . 2]" 2
264 1 25 LYS HB2 1 25 LYS QE . . 4.290 2.984 2.131 3.879 . 0 0 "[ . 1 . 2]" 2
265 1 11 LYS QE 1 11 LYS HG2 . . 3.760 2.654 2.067 3.426 . 0 0 "[ . 1 . 2]" 2
266 1 25 LYS HB3 1 25 LYS QE . . 4.290 2.863 2.223 4.163 . 0 0 "[ . 1 . 2]" 2
267 1 11 LYS QE 1 11 LYS HG3 . . 3.760 2.813 2.103 3.468 . 0 0 "[ . 1 . 2]" 2
268 1 31 HIS HD2 1 32 THR HA . . 4.380 2.322 2.031 2.734 . 0 0 "[ . 1 . 2]" 2
269 1 32 THR HA 1 35 HIS HD2 . . 3.700 2.051 1.993 2.191 . 0 0 "[ . 1 . 2]" 2
270 1 30 ILE H 1 30 ILE MD . . 3.920 3.711 3.408 3.922 0.002 1 0 "[ . 1 . 2]" 2
271 1 24 SER HB3 1 27 TYR H . . 4.800 3.900 2.876 4.793 . 0 0 "[ . 1 . 2]" 2
272 1 27 TYR QD 1 30 ILE MD . . 3.870 2.568 2.009 3.505 . 0 0 "[ . 1 . 2]" 2
273 1 27 TYR HA 1 30 ILE MD . . 3.800 2.812 2.367 3.307 . 0 0 "[ . 1 . 2]" 2
274 1 30 ILE MD 1 31 HIS HA . . 4.360 3.683 2.607 4.356 . 0 0 "[ . 1 . 2]" 2
275 1 26 SER HA 1 29 ILE MD . . 3.800 1.992 1.925 2.141 . 0 0 "[ . 1 . 2]" 2
276 1 26 SER QB 1 29 ILE MD . . 3.990 3.562 3.336 3.864 . 0 0 "[ . 1 . 2]" 2
277 1 29 ILE HA 1 29 ILE MD . . 4.400 3.863 3.828 3.898 . 0 0 "[ . 1 . 2]" 2
278 1 30 ILE HA 1 30 ILE MD . . 4.270 3.931 3.614 4.136 . 0 0 "[ . 1 . 2]" 2
279 1 30 ILE MD 1 33 ARG QD . . 5.500 4.554 4.093 5.148 . 0 0 "[ . 1 . 2]" 2
280 1 25 LYS QE 1 29 ILE MD . . 3.820 2.839 1.855 3.827 0.007 7 0 "[ . 1 . 2]" 2
281 1 29 ILE HB 1 29 ILE MD . . 3.480 2.253 2.096 2.320 . 0 0 "[ . 1 . 2]" 2
282 1 27 TYR HA 1 27 TYR QE . . 4.540 4.222 4.136 4.493 . 0 0 "[ . 1 . 2]" 2
283 1 13 TYR QE 1 25 LYS HA . . 5.000 4.468 4.225 4.745 . 0 0 "[ . 1 . 2]" 2
284 1 12 PRO HG2 1 13 TYR QE . . 4.130 3.749 2.677 4.118 . 0 0 "[ . 1 . 2]" 2
285 1 27 TYR QE 1 30 ILE MD . . 4.010 3.358 2.853 4.012 0.002 18 0 "[ . 1 . 2]" 2
286 1 16 ASN QB 1 17 GLU H . . 4.120 3.591 3.306 3.791 . 0 0 "[ . 1 . 2]" 2
287 1 30 ILE HA 1 33 ARG HG3 . . 4.220 4.017 3.649 4.237 0.017 16 0 "[ . 1 . 2]" 2
288 1 30 ILE HA 1 33 ARG HG2 . . 4.220 2.741 2.191 3.198 . 0 0 "[ . 1 . 2]" 2
289 1 12 PRO HG3 1 13 TYR QE . . 4.130 3.665 2.881 3.961 . 0 0 "[ . 1 . 2]" 2
290 1 29 ILE HA 1 29 ILE HG12 . . 3.670 2.780 2.718 2.825 . 0 0 "[ . 1 . 2]" 2
291 1 29 ILE HA 1 29 ILE HG13 . . 3.880 2.665 2.578 2.792 . 0 0 "[ . 1 . 2]" 2
292 1 27 TYR QE 1 30 ILE HG12 . . 5.060 4.891 4.415 5.079 0.019 16 0 "[ . 1 . 2]" 2
293 1 28 LEU MD1 1 29 ILE HA . . 4.970 4.443 4.115 4.608 . 0 0 "[ . 1 . 2]" 2
294 1 28 LEU MD2 1 29 ILE HA . . 5.360 4.492 4.234 4.651 . 0 0 "[ . 1 . 2]" 2
295 1 30 ILE HA 1 30 ILE MG . . 3.450 2.304 2.172 2.460 . 0 0 "[ . 1 . 2]" 2
296 1 29 ILE HA 1 29 ILE MG . . 3.420 2.402 2.303 2.449 . 0 0 "[ . 1 . 2]" 2
297 1 30 ILE HB 1 31 HIS H . . 4.470 4.103 3.990 4.192 . 0 0 "[ . 1 . 2]" 2
298 1 30 ILE H 1 30 ILE HB . . 4.000 3.620 3.608 3.634 . 0 0 "[ . 1 . 2]" 2
299 1 30 ILE HB 1 31 HIS HA . . 4.780 4.615 4.512 4.718 . 0 0 "[ . 1 . 2]" 2
300 1 30 ILE HB 1 30 ILE MD . . 3.750 2.186 2.079 2.281 . 0 0 "[ . 1 . 2]" 2
301 1 13 TYR HB2 1 28 LEU MD2 . . 4.030 3.700 3.310 4.029 . 0 0 "[ . 1 . 2]" 2
302 1 34 THR HA 1 36 THR H . . 4.660 3.503 3.261 3.779 . 0 0 "[ . 1 . 2]" 2
303 1 22 PHE QD 1 27 TYR HB3 . . 4.490 2.518 2.000 3.021 . 0 0 "[ . 1 . 2]" 2
304 1 22 PHE HB2 1 27 TYR HB3 . . 4.560 3.210 2.808 3.581 . 0 0 "[ . 1 . 2]" 2
305 1 22 PHE HB2 1 27 TYR HB2 . . 4.560 3.937 3.035 4.571 0.011 10 0 "[ . 1 . 2]" 2
306 1 12 PRO HA 1 13 TYR HA . . 4.650 4.531 4.519 4.558 . 0 0 "[ . 1 . 2]" 2
307 1 36 THR HA 1 36 THR MG . . 3.300 2.466 2.100 3.206 . 0 0 "[ . 1 . 2]" 2
308 1 17 GLU HG3 1 18 CYS H . . 4.720 4.468 4.022 4.654 . 0 0 "[ . 1 . 2]" 2
309 1 17 GLU HA 1 17 GLU HG2 . . 4.030 2.844 2.439 3.623 . 0 0 "[ . 1 . 2]" 2
310 1 17 GLU HA 1 17 GLU HG3 . . 4.030 3.701 2.601 3.866 . 0 0 "[ . 1 . 2]" 2
311 1 7 GLY QA 1 8 THR HA . . 4.440 4.019 3.931 4.217 . 0 0 "[ . 1 . 2]" 2
312 1 26 SER HA 1 29 ILE HG12 . . 4.930 4.617 4.350 4.789 . 0 0 "[ . 1 . 2]" 2
313 1 26 SER HA 1 29 ILE HB . . 4.300 2.716 2.554 2.963 . 0 0 "[ . 1 . 2]" 2
314 1 20 LYS HB2 1 21 ALA H . . 4.770 4.527 4.449 4.574 . 0 0 "[ . 1 . 2]" 2
315 1 20 LYS HB3 1 21 ALA H . . 4.770 4.161 4.089 4.260 . 0 0 "[ . 1 . 2]" 2
316 1 20 LYS HB2 1 22 PHE QE . . 4.430 3.702 3.605 3.861 . 0 0 "[ . 1 . 2]" 2
317 1 18 CYS HB2 1 35 HIS HE1 . . 4.170 3.863 3.557 4.175 0.005 20 0 "[ . 1 . 2]" 2
318 1 27 TYR HA 1 27 TYR QD . . 3.790 2.203 1.975 2.929 . 0 0 "[ . 1 . 2]" 2
319 1 31 HIS HA 1 31 HIS HD2 . . 4.980 4.281 4.057 4.468 . 0 0 "[ . 1 . 2]" 2
320 1 27 TYR HA 1 30 ILE HG13 . . 4.010 3.099 2.405 3.803 . 0 0 "[ . 1 . 2]" 2
321 1 30 ILE HG13 1 31 HIS HA . . 4.590 3.935 3.428 4.595 0.005 17 0 "[ . 1 . 2]" 2
322 1 20 LYS HD2 1 31 HIS HE1 . . 5.500 4.773 4.364 5.052 . 0 0 "[ . 1 . 2]" 2
323 1 18 CYS HB3 1 35 HIS HE1 . . 4.170 2.290 2.052 2.581 . 0 0 "[ . 1 . 2]" 2
324 1 31 HIS HA 1 34 THR MG . . 3.870 2.612 1.961 3.649 . 0 0 "[ . 1 . 2]" 2
325 1 18 CYS H 1 18 CYS HB2 . . 3.970 3.724 3.653 3.773 . 0 0 "[ . 1 . 2]" 2
326 1 13 TYR HB3 1 25 LYS HA . . 4.510 2.269 1.998 2.668 . 0 0 "[ . 1 . 2]" 2
327 1 25 LYS HA 1 28 LEU MD2 . . 4.140 3.329 3.037 3.595 . 0 0 "[ . 1 . 2]" 2
328 1 33 ARG HA 1 33 ARG QD . . 4.720 4.437 4.238 4.585 . 0 0 "[ . 1 . 2]" 2
329 1 17 GLU QB 1 18 CYS HA . . 4.350 4.094 3.935 4.153 . 0 0 "[ . 1 . 2]" 2
330 1 28 LEU HA 1 31 HIS HB2 . . 4.920 3.955 3.657 4.189 . 0 0 "[ . 1 . 2]" 2
331 1 16 ASN QB 1 17 GLU HA . . 4.360 4.231 4.063 4.382 0.022 5 0 "[ . 1 . 2]" 2
332 1 28 LEU HA 1 31 HIS HB3 . . 4.460 2.512 2.351 2.728 . 0 0 "[ . 1 . 2]" 2
333 1 28 LEU HA 1 28 LEU HG . . 4.220 3.276 3.216 3.371 . 0 0 "[ . 1 . 2]" 2
334 1 28 LEU HA 1 28 LEU MD1 . . 3.630 2.331 2.171 2.625 . 0 0 "[ . 1 . 2]" 2
335 1 38 GLU HA 1 38 GLU QG . . 3.820 2.672 2.251 3.427 . 0 0 "[ . 1 . 2]" 2
336 1 33 ARG H 1 33 ARG HB3 . . 4.180 2.754 2.589 2.929 . 0 0 "[ . 1 . 2]" 2
337 1 33 ARG H 1 33 ARG HB2 . . 4.180 3.590 3.556 3.622 . 0 0 "[ . 1 . 2]" 2
338 1 15 CYS HB3 1 22 PHE QE . . 4.380 4.106 3.855 4.387 0.007 8 0 "[ . 1 . 2]" 2
339 1 11 LYS HA 1 11 LYS QD . . 4.320 3.460 1.989 4.405 0.085 18 0 "[ . 1 . 2]" 2
340 1 15 CYS HB3 1 17 GLU QB . . 4.680 3.984 3.817 4.127 . 0 0 "[ . 1 . 2]" 2
341 1 20 LYS H 1 20 LYS HD2 . . 5.280 4.726 4.089 5.348 0.068 19 0 "[ . 1 . 2]" 2
342 1 20 LYS H 1 20 LYS HD3 . . 5.280 4.504 4.014 4.953 . 0 0 "[ . 1 . 2]" 2
343 1 20 LYS HD3 1 31 HIS HE1 . . 5.500 4.202 2.880 5.509 0.009 5 0 "[ . 1 . 2]" 2
344 1 29 ILE H 1 29 ILE HG12 . . 3.970 3.726 3.586 3.841 . 0 0 "[ . 1 . 2]" 2
345 1 10 MET HA 1 11 LYS HA . . 4.760 4.458 4.298 4.739 . 0 0 "[ . 1 . 2]" 2
346 1 30 ILE HA 1 30 ILE HG13 . . 4.160 3.574 3.550 3.595 . 0 0 "[ . 1 . 2]" 2
347 1 30 ILE HG12 1 30 ILE MG . . 3.700 2.102 1.994 2.247 . 0 0 "[ . 1 . 2]" 2
348 1 31 HIS HA 1 33 ARG HG2 . . 4.750 3.691 3.432 4.182 . 0 0 "[ . 1 . 2]" 2
349 1 31 HIS HA 1 33 ARG HG3 . . 4.750 3.980 3.306 4.749 . 0 0 "[ . 1 . 2]" 2
350 1 10 MET QB 1 11 LYS HA . . 4.980 4.305 3.895 4.899 . 0 0 "[ . 1 . 2]" 2
351 1 13 TYR HA 1 13 TYR QD . . 3.840 3.291 3.227 3.315 . 0 0 "[ . 1 . 2]" 2
352 1 12 PRO HG2 1 13 TYR QD . . 4.470 2.521 1.966 2.746 . 0 0 "[ . 1 . 2]" 2
353 1 12 PRO HG3 1 13 TYR QD . . 4.470 3.574 3.415 3.647 . 0 0 "[ . 1 . 2]" 2
354 1 28 LEU MD2 1 29 ILE H . . 4.820 4.242 3.981 4.502 . 0 0 "[ . 1 . 2]" 2
355 1 13 TYR QD 1 28 LEU MD2 . . 4.560 4.146 3.906 4.369 . 0 0 "[ . 1 . 2]" 2
356 1 28 LEU MD2 1 31 HIS HD2 . . 5.370 5.334 5.129 5.389 0.019 5 0 "[ . 1 . 2]" 2
357 1 13 TYR HA 1 28 LEU MD2 . . 3.870 2.232 2.046 2.444 . 0 0 "[ . 1 . 2]" 2
358 1 28 LEU HA 1 28 LEU MD2 . . 4.240 3.990 3.965 4.025 . 0 0 "[ . 1 . 2]" 2
359 1 13 TYR HB3 1 28 LEU MD2 . . 3.550 2.841 2.426 3.202 . 0 0 "[ . 1 . 2]" 2
360 1 20 LYS HG2 1 31 HIS HE1 . . 4.980 3.362 2.635 3.699 . 0 0 "[ . 1 . 2]" 2
361 1 20 LYS HG3 1 31 HIS HE1 . . 4.980 4.024 2.576 4.992 0.012 19 0 "[ . 1 . 2]" 2
362 1 20 LYS HG2 1 21 ALA H . . 5.060 4.560 3.941 5.028 . 0 0 "[ . 1 . 2]" 2
363 1 20 LYS HA 1 20 LYS HG3 . . 4.230 2.993 2.515 3.644 . 0 0 "[ . 1 . 2]" 2
364 1 20 LYS HA 1 20 LYS HG2 . . 4.230 3.250 2.432 3.737 . 0 0 "[ . 1 . 2]" 2
365 1 22 PHE QD 1 27 TYR HB2 . . 4.490 3.932 3.475 4.368 . 0 0 "[ . 1 . 2]" 2
366 1 26 SER QB 1 27 TYR QD . . 5.450 4.867 4.315 5.334 . 0 0 "[ . 1 . 2]" 2
367 1 11 LYS HA 1 11 LYS HG2 . . 4.220 3.016 2.419 3.608 . 0 0 "[ . 1 . 2]" 2
368 1 11 LYS HA 1 11 LYS HG3 . . 4.220 2.769 2.156 3.950 . 0 0 "[ . 1 . 2]" 2
369 1 15 CYS HB2 1 22 PHE QE . . 4.460 2.421 2.158 2.679 . 0 0 "[ . 1 . 2]" 2
370 1 22 PHE QE 1 28 LEU HA . . 4.770 3.102 2.890 3.292 . 0 0 "[ . 1 . 2]" 2
371 1 20 LYS HE2 1 22 PHE QE . . 5.290 4.272 2.478 5.302 0.012 19 0 "[ . 1 . 2]" 2
372 1 20 LYS HE3 1 22 PHE QE . . 5.290 3.892 2.114 5.317 0.027 14 0 "[ . 1 . 2]" 2
373 1 20 LYS HB3 1 22 PHE QE . . 4.430 2.035 1.969 2.211 . 0 0 "[ . 1 . 2]" 2
374 1 22 PHE QE 1 28 LEU MD1 . . 4.050 2.032 1.806 2.312 . 0 0 "[ . 1 . 2]" 2
375 1 12 PRO QD 1 13 TYR QE . . 5.300 5.092 4.337 5.328 0.028 10 0 "[ . 1 . 2]" 2
376 1 14 VAL HA 1 21 ALA HA . . 4.120 2.016 1.987 2.089 . 0 0 "[ . 1 . 2]" 2
377 1 12 PRO QD 1 13 TYR QD . . 4.530 4.373 3.680 4.597 0.067 10 0 "[ . 1 . 2]" 2
378 1 11 LYS HA 1 12 PRO QD . . 3.230 2.031 1.883 2.438 . 0 0 "[ . 1 . 2]" 2
379 1 11 LYS HG2 1 12 PRO QD . . 4.270 3.733 2.287 4.345 0.075 18 0 "[ . 1 . 2]" 2
380 1 11 LYS HG3 1 12 PRO QD . . 4.270 3.621 2.565 4.324 0.054 8 0 "[ . 1 . 2]" 2
381 1 40 GLY HA2 1 41 PRO QD . . 3.440 2.548 1.896 3.471 0.031 8 0 "[ . 1 . 2]" 2
382 1 14 VAL H 1 28 LEU MD1 . . 5.270 4.706 4.471 5.032 . 0 0 "[ . 1 . 2]" 2
383 1 28 LEU MD1 1 29 ILE H . . 5.500 4.449 4.270 4.619 . 0 0 "[ . 1 . 2]" 2
384 1 22 PHE QD 1 28 LEU MD1 . . 3.660 2.726 2.310 2.980 . 0 0 "[ . 1 . 2]" 2
385 1 28 LEU MD1 1 31 HIS HD2 . . 3.660 2.803 2.517 3.060 . 0 0 "[ . 1 . 2]" 2
386 1 15 CYS HA 1 28 LEU MD1 . . 3.730 2.133 1.906 2.586 . 0 0 "[ . 1 . 2]" 2
387 1 15 CYS HB2 1 28 LEU MD1 . . 3.830 2.543 2.378 2.676 . 0 0 "[ . 1 . 2]" 2
388 1 15 CYS HB3 1 28 LEU MD1 . . 3.840 3.730 3.608 3.841 0.001 3 0 "[ . 1 . 2]" 2
389 1 14 VAL MG1 1 28 LEU MD1 . . 4.900 4.226 4.008 4.515 . 0 0 "[ . 1 . 2]" 2
390 1 14 VAL HA 1 21 ALA MB . . 3.830 3.522 3.411 3.621 . 0 0 "[ . 1 . 2]" 2
391 1 20 LYS HA 1 21 ALA MB . . 4.050 3.997 3.950 4.050 . 0 0 "[ . 1 . 2]" 2
392 1 14 VAL HB 1 21 ALA MB . . 4.550 4.370 4.184 4.444 . 0 0 "[ . 1 . 2]" 2
393 1 32 THR MG 1 33 ARG H . . 4.040 2.995 1.956 4.001 . 0 0 "[ . 1 . 2]" 2
394 1 31 HIS HD2 1 32 THR MG . . 4.320 4.141 3.883 4.330 0.010 3 0 "[ . 1 . 2]" 2
395 1 32 THR MG 1 35 HIS HD2 . . 4.730 4.068 3.194 4.746 0.016 14 0 "[ . 1 . 2]" 2
396 1 32 THR HA 1 32 THR MG . . 3.450 2.771 2.267 3.198 . 0 0 "[ . 1 . 2]" 2
397 1 28 LEU MD1 1 32 THR MG . . 4.210 4.016 3.740 4.214 0.004 19 0 "[ . 1 . 2]" 2
398 1 14 VAL MG2 1 21 ALA HA . . 3.950 2.211 1.972 2.449 . 0 0 "[ . 1 . 2]" 2
399 1 14 VAL HA 1 14 VAL MG2 . . 3.370 2.423 2.253 2.559 . 0 0 "[ . 1 . 2]" 2
400 1 11 LYS QE 1 14 VAL MG2 . . 4.400 3.914 1.804 4.456 0.056 16 0 "[ . 1 . 2]" 2
401 1 14 VAL MG2 1 21 ALA MB . . 3.220 1.944 1.818 2.119 . 0 0 "[ . 1 . 2]" 2
402 1 15 CYS HB2 1 31 HIS HD2 . . 4.830 3.808 3.394 4.158 . 0 0 "[ . 1 . 2]" 2
403 1 28 LEU HA 1 31 HIS HD2 . . 5.080 4.248 3.864 4.726 . 0 0 "[ . 1 . 2]" 2
404 1 15 CYS HB3 1 31 HIS HD2 . . 5.260 4.890 4.563 5.158 . 0 0 "[ . 1 . 2]" 2
405 1 28 LEU HG 1 31 HIS HD2 . . 4.770 4.628 4.358 4.772 0.002 11 0 "[ . 1 . 2]" 2
406 1 14 VAL H 1 14 VAL MG1 . . 3.940 3.772 3.755 3.781 . 0 0 "[ . 1 . 2]" 2
407 1 14 VAL MG1 1 21 ALA HA . . 4.120 2.623 2.272 3.060 . 0 0 "[ . 1 . 2]" 2
408 1 14 VAL HA 1 14 VAL MG1 . . 3.440 2.373 2.253 2.478 . 0 0 "[ . 1 . 2]" 2
409 1 14 VAL MG1 1 19 GLY HA3 . . 3.840 3.566 3.410 3.728 . 0 0 "[ . 1 . 2]" 2
410 1 34 THR HA 1 34 THR MG . . 3.250 2.762 2.321 3.191 . 0 0 "[ . 1 . 2]" 2
411 1 14 VAL MG1 1 19 GLY HA2 . . 3.750 2.437 2.303 2.540 . 0 0 "[ . 1 . 2]" 2
412 1 14 VAL MG1 1 15 CYS HB2 . . 4.400 3.909 3.785 4.043 . 0 0 "[ . 1 . 2]" 2
413 1 11 LYS QE 1 14 VAL MG1 . . 4.080 3.133 1.924 4.027 . 0 0 "[ . 1 . 2]" 2
414 1 14 VAL MG1 1 21 ALA MB . . 3.630 2.516 2.131 3.080 . 0 0 "[ . 1 . 2]" 2
415 1 8 THR HA 1 8 THR MG . . 3.610 2.524 2.195 3.205 . 0 0 "[ . 1 . 2]" 2
416 1 10 MET HA 1 10 MET QG . . 3.730 2.576 2.209 3.338 . 0 0 "[ . 1 . 2]" 2
417 1 10 MET QG 1 11 LYS H . . 4.900 3.931 2.275 4.627 . 0 0 "[ . 1 . 2]" 2
418 1 11 LYS H 1 11 LYS QG . . 4.050 3.165 1.890 3.802 . 0 0 "[ . 1 . 2]" 2
419 1 11 LYS HA 1 11 LYS QG . . 3.690 2.426 2.136 3.343 . 0 0 "[ . 1 . 2]" 2
420 1 11 LYS HA 1 12 PRO QB . . 5.230 4.630 4.535 5.072 . 0 0 "[ . 1 . 2]" 2
421 1 11 LYS HA 1 12 PRO QG . . 4.560 3.930 3.787 4.229 . 0 0 "[ . 1 . 2]" 2
422 1 11 LYS QB 1 11 LYS QE . . 4.350 2.523 1.965 3.625 . 0 0 "[ . 1 . 2]" 2
423 1 11 LYS QB 1 14 VAL MG2 . . 4.120 2.786 1.932 4.041 . 0 0 "[ . 1 . 2]" 2
424 1 11 LYS QG 1 14 VAL HB . . 4.350 2.470 1.956 3.959 . 0 0 "[ . 1 . 2]" 2
425 1 11 LYS QG 1 14 VAL MG2 . . 4.390 2.707 1.915 4.219 . 0 0 "[ . 1 . 2]" 2
426 1 12 PRO QB 1 13 TYR QE . . 4.090 2.682 2.603 3.026 . 0 0 "[ . 1 . 2]" 2
427 1 12 PRO QG 1 13 TYR H . . 3.460 1.813 1.804 1.846 . 0 0 "[ . 1 . 2]" 2
428 1 12 PRO QG 1 13 TYR QD . . 3.800 2.465 1.955 2.670 . 0 0 "[ . 1 . 2]" 2
429 1 12 PRO QG 1 13 TYR QE . . 3.630 3.298 2.464 3.594 . 0 0 "[ . 1 . 2]" 2
430 1 12 PRO QG 1 14 VAL H . . 4.260 3.094 2.630 3.773 . 0 0 "[ . 1 . 2]" 2
431 1 13 TYR HB3 1 28 LEU QB . . 4.270 2.738 2.565 2.871 . 0 0 "[ . 1 . 2]" 2
432 1 13 TYR QD 1 25 LYS QB . . 4.320 2.380 1.991 3.307 . 0 0 "[ . 1 . 2]" 2
433 1 13 TYR QD 1 25 LYS QG . . 4.400 3.076 1.900 3.807 . 0 0 "[ . 1 . 2]" 2
434 1 13 TYR QE 1 24 SER QB . . 4.550 4.312 3.817 4.569 0.019 12 0 "[ . 1 . 2]" 2
435 1 13 TYR QE 1 25 LYS QB . . 3.910 3.280 2.738 3.868 . 0 0 "[ . 1 . 2]" 2
436 1 15 CYS H 1 20 LYS QB . . 3.850 3.202 3.082 3.319 . 0 0 "[ . 1 . 2]" 2
437 1 17 GLU H 1 17 GLU QG . . 3.390 2.652 2.346 2.885 . 0 0 "[ . 1 . 2]" 2
438 1 17 GLU QB 1 18 CYS QB . . 4.740 3.584 3.498 3.628 . 0 0 "[ . 1 . 2]" 2
439 1 17 GLU QG 1 18 CYS H . . 3.960 3.858 3.810 4.004 0.044 3 0 "[ . 1 . 2]" 2
440 1 17 GLU QG 1 19 GLY H . . 5.340 5.268 5.157 5.368 0.028 3 0 "[ . 1 . 2]" 2
441 1 18 CYS QB 1 35 HIS HE1 . . 3.580 2.273 2.044 2.542 . 0 0 "[ . 1 . 2]" 2
442 1 19 GLY H 1 20 LYS QB . . 4.930 3.819 3.752 4.040 . 0 0 "[ . 1 . 2]" 2
443 1 20 LYS H 1 20 LYS QB . . 2.990 2.175 2.112 2.241 . 0 0 "[ . 1 . 2]" 2
444 1 20 LYS H 1 20 LYS QG . . 4.610 3.980 3.809 4.074 . 0 0 "[ . 1 . 2]" 2
445 1 20 LYS HA 1 20 LYS QD . . 3.560 2.268 1.979 2.510 . 0 0 "[ . 1 . 2]" 2
446 1 20 LYS QB 1 21 ALA H . . 3.970 3.845 3.806 3.884 . 0 0 "[ . 1 . 2]" 2
447 1 20 LYS QE 1 20 LYS QG . . 3.170 2.210 2.071 2.395 . 0 0 "[ . 1 . 2]" 2
448 1 20 LYS QG 1 21 ALA H . . 4.230 3.438 3.053 3.895 . 0 0 "[ . 1 . 2]" 2
449 1 20 LYS QG 1 22 PHE QE . . 4.240 2.946 2.676 3.373 . 0 0 "[ . 1 . 2]" 2
450 1 20 LYS QG 1 22 PHE HZ . . 4.070 2.172 1.956 2.635 . 0 0 "[ . 1 . 2]" 2
451 1 20 LYS QG 1 31 HIS HE1 . . 4.330 2.949 2.528 3.474 . 0 0 "[ . 1 . 2]" 2
452 1 20 LYS QD 1 21 ALA H . . 4.580 3.171 2.338 3.915 . 0 0 "[ . 1 . 2]" 2
453 1 20 LYS QD 1 31 HIS HE1 . . 4.740 3.769 2.853 4.660 . 0 0 "[ . 1 . 2]" 2
454 1 20 LYS QE 1 21 ALA H . . 4.980 4.751 4.376 5.001 0.021 19 0 "[ . 1 . 2]" 2
455 1 20 LYS QE 1 22 PHE QE . . 4.420 3.380 2.103 4.481 0.061 19 0 "[ . 1 . 2]" 2
456 1 20 LYS QE 1 31 HIS HE1 . . 4.310 3.865 1.968 4.321 0.011 5 0 "[ . 1 . 2]" 2
457 1 22 PHE HB2 1 27 TYR QB . . 4.010 2.976 2.769 3.103 . 0 0 "[ . 1 . 2]" 2
458 1 22 PHE QD 1 27 TYR QB . . 3.740 2.488 1.988 2.958 . 0 0 "[ . 1 . 2]" 2
459 1 22 PHE QE 1 27 TYR QB . . 4.990 4.159 3.662 4.642 . 0 0 "[ . 1 . 2]" 2
460 1 23 ARG H 1 23 ARG QG . . 4.820 3.043 2.030 4.090 . 0 0 "[ . 1 . 2]" 2
461 1 23 ARG HA 1 23 ARG QG . . 3.640 2.679 2.271 3.443 . 0 0 "[ . 1 . 2]" 2
462 1 23 ARG QG 1 24 SER H . . 4.250 3.689 2.048 4.291 0.041 7 0 "[ . 1 . 2]" 2
463 1 24 SER H 1 27 TYR QB . . 3.560 2.602 2.483 2.747 . 0 0 "[ . 1 . 2]" 2
464 1 24 SER QB 1 25 LYS H . . 3.590 2.535 2.058 3.349 . 0 0 "[ . 1 . 2]" 2
465 1 24 SER QB 1 27 TYR H . . 4.010 3.190 2.703 3.935 . 0 0 "[ . 1 . 2]" 2
466 1 25 LYS HA 1 28 LEU QB . . 4.380 2.636 2.329 2.886 . 0 0 "[ . 1 . 2]" 2
467 1 25 LYS QB 1 25 LYS QE . . 3.520 2.488 2.044 3.443 . 0 0 "[ . 1 . 2]" 2
468 1 25 LYS QB 1 26 SER H . . 4.390 2.784 2.459 3.514 . 0 0 "[ . 1 . 2]" 2
469 1 25 LYS QG 1 29 ILE MD . . 3.820 2.625 1.815 3.834 0.014 10 0 "[ . 1 . 2]" 2
470 1 27 TYR H 1 27 TYR QB . . 3.160 2.187 2.156 2.279 . 0 0 "[ . 1 . 2]" 2
471 1 27 TYR H 1 28 LEU QB . . 4.480 4.213 4.029 4.350 . 0 0 "[ . 1 . 2]" 2
472 1 27 TYR QB 1 28 LEU H . . 3.490 2.775 2.586 2.908 . 0 0 "[ . 1 . 2]" 2
473 1 27 TYR QB 1 28 LEU HA . . 4.490 3.929 3.852 4.000 . 0 0 "[ . 1 . 2]" 2
474 1 27 TYR QB 1 30 ILE MD . . 5.340 4.118 3.829 4.537 . 0 0 "[ . 1 . 2]" 2
475 1 28 LEU QB 1 29 ILE H . . 3.610 2.844 2.670 3.039 . 0 0 "[ . 1 . 2]" 2
476 1 30 ILE HA 1 33 ARG QG . . 3.690 2.695 2.175 3.094 . 0 0 "[ . 1 . 2]" 2
477 1 31 HIS H 1 33 ARG QG . . 5.300 3.716 3.459 3.963 . 0 0 "[ . 1 . 2]" 2
478 1 31 HIS HA 1 33 ARG QG . . 4.060 3.344 3.121 3.524 . 0 0 "[ . 1 . 2]" 2
479 1 32 THR H 1 33 ARG QG . . 4.540 3.913 3.684 4.153 . 0 0 "[ . 1 . 2]" 2
480 1 32 THR HA 1 35 HIS QB . . 4.330 3.685 3.255 4.074 . 0 0 "[ . 1 . 2]" 2
481 1 33 ARG H 1 33 ARG QG . . 2.860 1.922 1.860 2.037 . 0 0 "[ . 1 . 2]" 2
482 1 33 ARG HA 1 33 ARG QG . . 3.590 3.332 3.312 3.344 . 0 0 "[ . 1 . 2]" 2
483 1 33 ARG QB 1 33 ARG QD . . 3.360 2.263 2.120 2.416 . 0 0 "[ . 1 . 2]" 2
484 1 33 ARG QG 1 34 THR H . . 3.500 2.107 1.877 2.382 . 0 0 "[ . 1 . 2]" 2
485 1 33 ARG QG 1 34 THR MG . . 4.200 3.133 2.132 4.190 . 0 0 "[ . 1 . 2]" 2
486 1 33 ARG QG 1 35 HIS H . . 4.850 4.379 4.263 4.566 . 0 0 "[ . 1 . 2]" 2
487 1 34 THR H 1 35 HIS QB . . 4.910 4.603 4.391 4.891 . 0 0 "[ . 1 . 2]" 2
488 1 35 HIS H 1 35 HIS QB . . 3.050 2.272 2.176 2.398 . 0 0 "[ . 1 . 2]" 2
489 1 35 HIS QB 1 36 THR H . . 3.700 3.133 2.784 3.633 . 0 0 "[ . 1 . 2]" 2
490 1 37 GLY H 1 38 GLU QB . . 4.900 4.286 3.340 4.900 . 0 0 "[ . 1 . 2]" 2
491 1 38 GLU H 1 38 GLU QB . . 3.390 2.421 2.160 2.831 . 0 0 "[ . 1 . 2]" 2
492 1 40 GLY QA 1 41 PRO QD . . 2.960 2.006 1.876 2.278 . 0 0 "[ . 1 . 2]" 2
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