NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506378 |
1x4v   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4v
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 26
_Distance_constraint_stats_list.Viol_count 166
_Distance_constraint_stats_list.Viol_total 13.344
_Distance_constraint_stats_list.Viol_max 0.025
_Distance_constraint_stats_list.Viol_rms 0.0030
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0040
_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 0.160 0.020 15 0 "[ . 1 . 2]"
1 20 CYS 0.119 0.017 15 0 "[ . 1 . 2]"
1 30 CYS 0.048 0.007 3 0 "[ . 1 . 2]"
1 33 CYS 0.120 0.009 19 0 "[ . 1 . 2]"
1 38 CYS 0.144 0.025 15 0 "[ . 1 . 2]"
1 41 HIS 0.094 0.014 9 0 "[ . 1 . 2]"
1 47 HIS 0.029 0.008 4 0 "[ . 1 . 2]"
1 49 CYS 0.059 0.009 17 0 "[ . 1 . 2]"
2 1 ZN 0.369 0.025 15 0 "[ . 1 . 2]"
3 1 ZN 0.192 0.009 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 CYS SG 2 1 ZN ZN . 2.330 2.370 2.335 2.310 2.371 0.020 15 0 "[ . 1 . 2]" 1
2 1 20 CYS SG 2 1 ZN ZN . 2.330 2.370 2.334 2.313 2.366 0.017 15 0 "[ . 1 . 2]" 1
3 1 38 CYS SG 2 1 ZN ZN . 2.330 2.370 2.326 2.305 2.338 0.025 15 0 "[ . 1 . 2]" 1
4 1 41 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.328 2.316 2.345 0.014 9 0 "[ . 1 . 2]" 1
5 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.294 3.241 3.503 0.009 9 0 "[ . 1 . 2]" 1
6 1 20 CYS CB 2 1 ZN ZN . 3.250 3.510 3.386 3.237 3.516 0.013 10 0 "[ . 1 . 2]" 1
7 1 38 CYS CB 2 1 ZN ZN . 3.250 3.510 3.456 3.285 3.526 0.016 15 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 20 CYS SG . 3.200 4.000 3.940 3.653 4.010 0.010 15 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 38 CYS SG . 3.200 4.000 3.966 3.903 4.005 0.005 9 0 "[ . 1 . 2]" 1
10 1 15 CYS SG 1 41 HIS ND1 . 3.200 4.000 3.935 3.702 4.009 0.009 20 0 "[ . 1 . 2]" 1
11 1 20 CYS SG 1 41 HIS ND1 . 3.200 4.000 3.298 3.197 3.511 0.003 13 0 "[ . 1 . 2]" 1
12 1 20 CYS SG 1 38 CYS SG . 3.200 4.000 3.782 3.195 4.002 0.005 20 0 "[ . 1 . 2]" 1
13 1 38 CYS SG 1 41 HIS ND1 . 3.200 4.000 3.715 3.408 3.996 . 0 0 "[ . 1 . 2]" 1
14 1 30 CYS SG 3 1 ZN ZN . 2.330 2.370 2.363 2.327 2.375 0.005 4 0 "[ . 1 . 2]" 1
15 1 33 CYS SG 3 1 ZN ZN . 2.330 2.370 2.331 2.321 2.361 0.009 19 0 "[ . 1 . 2]" 1
16 1 47 HIS NE2 3 1 ZN ZN . 2.330 2.370 2.357 2.328 2.378 0.008 4 0 "[ . 1 . 2]" 1
17 1 49 CYS SG 3 1 ZN ZN . 2.330 2.370 2.336 2.327 2.366 0.003 5 0 "[ . 1 . 2]" 1
18 1 30 CYS CB 3 1 ZN ZN . 3.250 3.510 3.274 3.243 3.339 0.007 3 0 "[ . 1 . 2]" 1
19 1 33 CYS CB 3 1 ZN ZN . 3.250 3.510 3.512 3.504 3.517 0.007 15 0 "[ . 1 . 2]" 1
20 1 49 CYS CB 3 1 ZN ZN . 3.250 3.510 3.304 3.241 3.440 0.009 17 0 "[ . 1 . 2]" 1
21 1 30 CYS SG 1 33 CYS SG . 3.200 4.000 3.534 3.432 3.664 . 0 0 "[ . 1 . 2]" 1
22 1 30 CYS SG 1 49 CYS SG . 3.200 4.000 3.984 3.929 4.003 0.003 19 0 "[ . 1 . 2]" 1
23 1 30 CYS SG 1 47 HIS NE2 . 3.200 4.000 3.938 3.785 4.004 0.004 17 0 "[ . 1 . 2]" 1
24 1 33 CYS SG 1 47 HIS NE2 . 3.200 4.000 3.924 3.596 4.003 0.003 19 0 "[ . 1 . 2]" 1
25 1 33 CYS SG 1 49 CYS SG . 3.200 4.000 3.924 3.529 4.005 0.005 4 0 "[ . 1 . 2]" 1
26 1 47 HIS NE2 1 49 CYS SG . 3.200 4.000 3.646 3.439 3.865 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 853
_Distance_constraint_stats_list.Viol_count 388
_Distance_constraint_stats_list.Viol_total 114.453
_Distance_constraint_stats_list.Viol_max 0.223
_Distance_constraint_stats_list.Viol_rms 0.0038
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0147
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 ARG 0.028 0.028 10 0 "[ . 1 . 2]"
1 9 LYS 0.117 0.076 18 0 "[ . 1 . 2]"
1 10 ILE 0.315 0.223 18 0 "[ . 1 . 2]"
1 11 PHE 0.172 0.076 18 0 "[ . 1 . 2]"
1 12 THR 0.073 0.029 5 0 "[ . 1 . 2]"
1 13 ASN 0.047 0.014 19 0 "[ . 1 . 2]"
1 14 LYS 0.253 0.054 10 0 "[ . 1 . 2]"
1 15 CYS 0.266 0.054 10 0 "[ . 1 . 2]"
1 16 GLU 0.148 0.022 19 0 "[ . 1 . 2]"
1 17 ARG 0.438 0.030 7 0 "[ . 1 . 2]"
1 18 ALA 0.068 0.030 7 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.637 0.109 9 0 "[ . 1 . 2]"
1 21 ARG 0.245 0.109 9 0 "[ . 1 . 2]"
1 22 GLN 0.308 0.054 19 0 "[ . 1 . 2]"
1 23 ARG 0.062 0.021 10 0 "[ . 1 . 2]"
1 24 GLU 0.137 0.033 10 0 "[ . 1 . 2]"
1 25 MET 0.138 0.125 16 0 "[ . 1 . 2]"
1 26 MET 0.020 0.007 9 0 "[ . 1 . 2]"
1 27 LYS 0.226 0.051 4 0 "[ . 1 . 2]"
1 28 LEU 0.201 0.033 10 0 "[ . 1 . 2]"
1 29 THR 0.023 0.018 17 0 "[ . 1 . 2]"
1 30 CYS 0.207 0.049 19 0 "[ . 1 . 2]"
1 31 GLU 0.301 0.055 16 0 "[ . 1 . 2]"
1 32 ARG 0.288 0.061 17 0 "[ . 1 . 2]"
1 33 CYS 0.178 0.049 19 0 "[ . 1 . 2]"
1 34 SER 0.061 0.018 17 0 "[ . 1 . 2]"
1 35 ARG 0.414 0.088 14 0 "[ . 1 . 2]"
1 36 ASN 0.101 0.018 9 0 "[ . 1 . 2]"
1 37 PHE 0.434 0.036 12 0 "[ . 1 . 2]"
1 38 CYS 0.243 0.026 7 0 "[ . 1 . 2]"
1 39 ILE 0.466 0.031 1 0 "[ . 1 . 2]"
1 40 LYS 0.629 0.054 19 0 "[ . 1 . 2]"
1 41 HIS 0.517 0.031 1 0 "[ . 1 . 2]"
1 42 ARG 0.550 0.036 12 0 "[ . 1 . 2]"
1 43 HIS 0.152 0.069 10 0 "[ . 1 . 2]"
1 44 PRO 0.069 0.028 17 0 "[ . 1 . 2]"
1 45 LEU 0.138 0.069 10 0 "[ . 1 . 2]"
1 46 ASP 0.063 0.055 10 0 "[ . 1 . 2]"
1 47 HIS 0.455 0.087 10 0 "[ . 1 . 2]"
1 48 ASP 0.147 0.087 10 0 "[ . 1 . 2]"
1 49 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.002 0.002 3 0 "[ . 1 . 2]"
1 51 GLY 0.001 0.001 10 0 "[ . 1 . 2]"
1 52 GLU 0.098 0.026 11 0 "[ . 1 . 2]"
1 53 GLY 0.038 0.014 10 0 "[ . 1 . 2]"
1 54 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 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 30 CYS H 1 36 ASN H . . 5.390 4.779 4.655 4.883 . 0 0 "[ . 1 . 2]" 2
2 1 30 CYS H 1 35 ARG H . . 3.760 2.480 2.295 2.825 . 0 0 "[ . 1 . 2]" 2
3 1 30 CYS H 1 36 ASN HA . . 3.930 3.837 3.730 3.932 0.002 1 0 "[ . 1 . 2]" 2
4 1 30 CYS H 1 34 SER HA . . 4.390 3.540 3.180 3.859 . 0 0 "[ . 1 . 2]" 2
5 1 30 CYS H 1 30 CYS HB3 . . 3.030 2.762 2.663 2.839 . 0 0 "[ . 1 . 2]" 2
6 1 30 CYS H 1 30 CYS HB2 . . 3.190 2.319 2.255 2.414 . 0 0 "[ . 1 . 2]" 2
7 1 29 THR MG 1 30 CYS H . . 3.360 2.329 2.088 2.619 . 0 0 "[ . 1 . 2]" 2
8 1 30 CYS H 1 37 PHE HD2 . . 4.720 2.979 2.629 3.427 . 0 0 "[ . 1 . 2]" 2
9 1 30 CYS H 1 37 PHE HE2 . . 5.280 3.305 3.059 3.639 . 0 0 "[ . 1 . 2]" 2
10 1 32 ARG H 1 34 SER H . . 3.820 3.096 2.969 3.288 . 0 0 "[ . 1 . 2]" 2
11 1 30 CYS H 1 34 SER H . . 4.480 4.120 3.966 4.257 . 0 0 "[ . 1 . 2]" 2
12 1 32 ARG HA 1 34 SER H . . 4.520 4.459 4.358 4.532 0.012 19 0 "[ . 1 . 2]" 2
13 1 34 SER H 1 34 SER HA . . 2.580 2.276 2.274 2.280 . 0 0 "[ . 1 . 2]" 2
14 1 30 CYS HB3 1 34 SER H . . 3.630 2.005 1.908 2.142 . 0 0 "[ . 1 . 2]" 2
15 1 33 CYS HB2 1 34 SER H . . 4.640 3.965 3.861 4.070 . 0 0 "[ . 1 . 2]" 2
16 1 30 CYS HB2 1 34 SER H . . 3.930 3.745 3.648 3.901 . 0 0 "[ . 1 . 2]" 2
17 1 32 ARG HB2 1 34 SER H . . 4.620 4.358 4.280 4.442 . 0 0 "[ . 1 . 2]" 2
18 1 34 SER H 1 35 ARG HG3 . . 4.610 4.569 4.468 4.614 0.004 19 0 "[ . 1 . 2]" 2
19 1 28 LEU H 1 36 ASN HD22 . . 4.400 3.186 2.113 4.100 . 0 0 "[ . 1 . 2]" 2
20 1 28 LEU H 1 36 ASN HA . . 4.340 4.147 3.846 4.343 0.003 18 0 "[ . 1 . 2]" 2
21 1 28 LEU H 1 28 LEU HG . . 3.570 3.114 2.768 3.245 . 0 0 "[ . 1 . 2]" 2
22 1 27 LYS HG2 1 28 LEU H . . 4.300 3.342 2.674 4.192 . 0 0 "[ . 1 . 2]" 2
23 1 27 LYS HG3 1 28 LEU H . . 4.300 3.278 2.572 4.292 . 0 0 "[ . 1 . 2]" 2
24 1 28 LEU H 1 28 LEU MD1 . . 3.770 3.710 3.460 3.774 0.004 8 0 "[ . 1 . 2]" 2
25 1 36 ASN HA 1 36 ASN HD21 . . 4.570 3.506 2.324 4.432 . 0 0 "[ . 1 . 2]" 2
26 1 13 ASN HB2 1 36 ASN HD21 . . 4.680 3.859 3.013 4.558 . 0 0 "[ . 1 . 2]" 2
27 1 13 ASN HB3 1 36 ASN HD22 . . 3.680 2.660 1.887 3.597 . 0 0 "[ . 1 . 2]" 2
28 1 13 ASN H 1 13 ASN HD22 . . 5.030 3.265 2.608 4.142 . 0 0 "[ . 1 . 2]" 2
29 1 36 ASN HD22 1 37 PHE H . . 5.120 3.747 3.002 4.707 . 0 0 "[ . 1 . 2]" 2
30 1 13 ASN HB2 1 36 ASN HD22 . . 3.680 2.423 1.900 3.112 . 0 0 "[ . 1 . 2]" 2
31 1 13 ASN HD22 1 26 MET HA . . 4.740 3.260 2.611 4.185 . 0 0 "[ . 1 . 2]" 2
32 1 12 THR HA 1 13 ASN HD22 . . 4.550 4.057 3.449 4.511 . 0 0 "[ . 1 . 2]" 2
33 1 13 ASN HD22 1 25 MET HA . . 5.150 4.677 3.834 5.140 . 0 0 "[ . 1 . 2]" 2
34 1 12 THR HA 1 13 ASN HD21 . . 4.550 3.716 2.741 4.551 0.001 15 0 "[ . 1 . 2]" 2
35 1 14 LYS HA 1 15 CYS H . . 2.690 2.211 2.140 2.462 . 0 0 "[ . 1 . 2]" 2
36 1 15 CYS H 1 15 CYS HB3 . . 3.000 2.554 2.397 2.698 . 0 0 "[ . 1 . 2]" 2
37 1 15 CYS H 1 15 CYS HB2 . . 3.120 2.557 2.384 2.866 . 0 0 "[ . 1 . 2]" 2
38 1 15 CYS H 1 38 CYS HB3 . . 4.580 4.393 4.147 4.589 0.009 12 0 "[ . 1 . 2]" 2
39 1 14 LYS QB 1 15 CYS H . . 3.850 3.430 2.289 3.861 0.011 16 0 "[ . 1 . 2]" 2
40 1 14 LYS HG3 1 15 CYS H . . 4.680 3.841 3.074 4.630 . 0 0 "[ . 1 . 2]" 2
41 1 33 CYS HB2 1 51 GLY H . . 4.560 3.538 2.948 4.510 . 0 0 "[ . 1 . 2]" 2
42 1 33 CYS HB3 1 51 GLY H . . 4.080 2.236 1.894 2.861 . 0 0 "[ . 1 . 2]" 2
43 1 16 GLU H 1 17 ARG H . . 3.310 2.692 1.988 2.916 . 0 0 "[ . 1 . 2]" 2
44 1 17 ARG H 1 37 PHE HD1 . . 4.290 3.022 1.994 3.293 . 0 0 "[ . 1 . 2]" 2
45 1 17 ARG H 1 37 PHE HE1 . . 4.260 3.923 3.133 4.221 . 0 0 "[ . 1 . 2]" 2
46 1 17 ARG H 1 37 PHE HA . . 4.370 4.091 3.525 4.253 . 0 0 "[ . 1 . 2]" 2
47 1 15 CYS HA 1 17 ARG H . . 4.010 3.864 3.695 4.032 0.022 15 0 "[ . 1 . 2]" 2
48 1 17 ARG H 1 37 PHE HB3 . . 5.250 5.082 4.114 5.266 0.016 17 0 "[ . 1 . 2]" 2
49 1 15 CYS HB3 1 17 ARG H . . 3.660 3.236 3.070 3.600 . 0 0 "[ . 1 . 2]" 2
50 1 17 ARG H 1 20 CYS HB3 . . 3.990 3.272 3.048 3.545 . 0 0 "[ . 1 . 2]" 2
51 1 16 GLU HB3 1 17 ARG H . . 4.630 4.392 3.977 4.473 . 0 0 "[ . 1 . 2]" 2
52 1 17 ARG H 1 17 ARG HB3 . . 2.990 2.650 2.392 2.968 . 0 0 "[ . 1 . 2]" 2
53 1 17 ARG H 1 17 ARG HB2 . . 3.060 2.640 2.169 2.948 . 0 0 "[ . 1 . 2]" 2
54 1 17 ARG H 1 17 ARG HG2 . . 4.680 4.531 4.127 4.707 0.027 17 0 "[ . 1 . 2]" 2
55 1 46 ASP H 1 47 HIS H . . 3.140 2.517 1.795 2.717 . 0 0 "[ . 1 . 2]" 2
56 1 47 HIS H 1 48 ASP H . . 4.450 3.866 2.694 4.200 . 0 0 "[ . 1 . 2]" 2
57 1 41 HIS HD2 1 47 HIS H . . 5.500 5.292 4.646 5.505 0.005 14 0 "[ . 1 . 2]" 2
58 1 47 HIS H 1 49 CYS H . . 5.500 4.399 3.315 5.020 . 0 0 "[ . 1 . 2]" 2
59 1 47 HIS H 1 48 ASP HA . . 4.830 4.653 4.491 4.917 0.087 10 0 "[ . 1 . 2]" 2
60 1 45 LEU HA 1 47 HIS H . . 4.340 3.862 3.668 4.363 0.023 17 0 "[ . 1 . 2]" 2
61 1 46 ASP HB3 1 47 HIS H . . 4.450 4.186 3.561 4.372 . 0 0 "[ . 1 . 2]" 2
62 1 47 HIS H 1 47 HIS HB2 . . 4.100 3.959 3.689 4.067 . 0 0 "[ . 1 . 2]" 2
63 1 44 PRO HA 1 47 HIS H . . 4.310 3.993 3.275 4.225 . 0 0 "[ . 1 . 2]" 2
64 1 46 ASP HB2 1 47 HIS H . . 4.170 3.740 2.651 4.119 . 0 0 "[ . 1 . 2]" 2
65 1 47 HIS H 1 49 CYS QB . . 4.890 4.676 4.114 4.879 . 0 0 "[ . 1 . 2]" 2
66 1 47 HIS H 1 47 HIS HB3 . . 4.060 3.098 2.716 3.277 . 0 0 "[ . 1 . 2]" 2
67 1 15 CYS HB2 1 16 GLU H . . 4.280 4.063 3.870 4.234 . 0 0 "[ . 1 . 2]" 2
68 1 16 GLU H 1 38 CYS H . . 4.600 4.480 4.201 4.608 0.008 13 0 "[ . 1 . 2]" 2
69 1 16 GLU H 1 37 PHE HA . . 3.360 2.379 2.260 2.550 . 0 0 "[ . 1 . 2]" 2
70 1 15 CYS HA 1 16 GLU H . . 2.820 2.228 2.171 2.363 . 0 0 "[ . 1 . 2]" 2
71 1 15 CYS HB3 1 16 GLU H . . 4.410 3.960 3.546 4.165 . 0 0 "[ . 1 . 2]" 2
72 1 16 GLU H 1 16 GLU HG3 . . 3.360 2.812 2.618 3.060 . 0 0 "[ . 1 . 2]" 2
73 1 16 GLU H 1 16 GLU HG2 . . 3.770 3.420 3.218 3.582 . 0 0 "[ . 1 . 2]" 2
74 1 16 GLU H 1 16 GLU HB2 . . 3.250 2.478 2.342 2.586 . 0 0 "[ . 1 . 2]" 2
75 1 10 ILE HB 1 11 PHE H . . 4.680 3.769 2.486 4.454 . 0 0 "[ . 1 . 2]" 2
76 1 10 ILE MG 1 11 PHE H . . 4.710 3.956 3.392 4.385 . 0 0 "[ . 1 . 2]" 2
77 1 10 ILE MD 1 11 PHE H . . 5.270 4.642 3.672 5.287 0.017 15 0 "[ . 1 . 2]" 2
78 1 15 CYS H 1 22 GLN H . . 4.940 4.008 3.137 4.732 . 0 0 "[ . 1 . 2]" 2
79 1 20 CYS HA 1 22 GLN H . . 4.070 3.914 3.748 4.038 . 0 0 "[ . 1 . 2]" 2
80 1 15 CYS HB2 1 22 GLN H . . 4.540 3.638 3.029 4.278 . 0 0 "[ . 1 . 2]" 2
81 1 22 GLN H 1 22 GLN HG2 . . 4.180 3.349 2.914 3.802 . 0 0 "[ . 1 . 2]" 2
82 1 52 GLU HA 1 53 GLY H . . 3.560 2.778 2.147 3.574 0.014 10 0 "[ . 1 . 2]" 2
83 1 52 GLU HB2 1 53 GLY H . . 4.750 3.778 2.238 4.604 . 0 0 "[ . 1 . 2]" 2
84 1 20 CYS H 1 21 ARG H . . 4.420 4.011 2.121 4.529 0.109 9 0 "[ . 1 . 2]" 2
85 1 18 ALA H 1 20 CYS H . . 5.190 4.930 4.428 5.162 . 0 0 "[ . 1 . 2]" 2
86 1 18 ALA HA 1 20 CYS H . . 3.820 3.719 3.551 3.839 0.019 9 0 "[ . 1 . 2]" 2
87 1 20 CYS H 1 20 CYS HB2 . . 3.040 2.934 2.382 3.113 0.073 5 0 "[ . 1 . 2]" 2
88 1 20 CYS H 1 20 CYS HB3 . . 2.920 2.872 2.665 2.972 0.052 5 0 "[ . 1 . 2]" 2
89 1 17 ARG HB3 1 20 CYS H . . 4.480 4.222 3.370 4.486 0.006 17 0 "[ . 1 . 2]" 2
90 1 18 ALA MB 1 20 CYS H . . 4.740 4.531 4.134 4.701 . 0 0 "[ . 1 . 2]" 2
91 1 22 GLN H 1 23 ARG H . . 4.880 4.594 4.450 4.640 . 0 0 "[ . 1 . 2]" 2
92 1 22 GLN HA 1 23 ARG H . . 2.830 2.292 2.140 2.471 . 0 0 "[ . 1 . 2]" 2
93 1 22 GLN HB3 1 23 ARG H . . 3.850 2.846 2.388 3.512 . 0 0 "[ . 1 . 2]" 2
94 1 23 ARG H 1 23 ARG QB . . 3.000 2.555 2.329 2.769 . 0 0 "[ . 1 . 2]" 2
95 1 27 LYS H 1 27 LYS HB3 . . 3.920 2.594 2.290 2.936 . 0 0 "[ . 1 . 2]" 2
96 1 23 ARG H 1 23 ARG HG2 . . 4.710 4.201 3.045 4.731 0.021 10 0 "[ . 1 . 2]" 2
97 1 26 MET HA 1 27 LYS H . . 2.720 2.337 2.159 2.565 . 0 0 "[ . 1 . 2]" 2
98 1 26 MET HB2 1 27 LYS H . . 3.410 2.663 2.126 3.255 . 0 0 "[ . 1 . 2]" 2
99 1 27 LYS H 1 27 LYS HG2 . . 4.600 4.444 4.234 4.624 0.024 17 0 "[ . 1 . 2]" 2
100 1 27 LYS H 1 27 LYS HG3 . . 4.600 4.450 4.213 4.624 0.024 5 0 "[ . 1 . 2]" 2
101 1 43 HIS H 1 46 ASP H . . 4.650 4.298 4.166 4.645 . 0 0 "[ . 1 . 2]" 2
102 1 43 HIS H 1 43 HIS HD2 . . 4.870 4.690 4.505 4.848 . 0 0 "[ . 1 . 2]" 2
103 1 43 HIS H 1 43 HIS QB . . 2.740 2.228 2.134 2.327 . 0 0 "[ . 1 . 2]" 2
104 1 43 HIS H 1 46 ASP HB2 . . 3.710 3.534 3.109 3.765 0.055 10 0 "[ . 1 . 2]" 2
105 1 42 ARG HB2 1 43 HIS H . . 4.390 4.198 4.091 4.309 . 0 0 "[ . 1 . 2]" 2
106 1 42 ARG HB3 1 43 HIS H . . 3.570 2.995 2.816 3.194 . 0 0 "[ . 1 . 2]" 2
107 1 47 HIS HD2 1 50 SER H . . 4.830 4.451 3.760 4.832 0.002 3 0 "[ . 1 . 2]" 2
108 1 49 CYS HA 1 50 SER H . . 3.110 2.185 2.139 2.290 . 0 0 "[ . 1 . 2]" 2
109 1 49 CYS QB 1 50 SER H . . 4.460 3.671 3.394 3.888 . 0 0 "[ . 1 . 2]" 2
110 1 13 ASN HA 1 14 LYS H . . 3.040 2.403 2.152 2.652 . 0 0 "[ . 1 . 2]" 2
111 1 13 ASN HB2 1 14 LYS H . . 4.430 3.148 2.167 4.250 . 0 0 "[ . 1 . 2]" 2
112 1 13 ASN HB3 1 14 LYS H . . 4.430 2.884 2.224 3.751 . 0 0 "[ . 1 . 2]" 2
113 1 14 LYS H 1 14 LYS QB . . 3.150 2.551 2.262 3.068 . 0 0 "[ . 1 . 2]" 2
114 1 9 LYS HA 1 10 ILE H . . 2.810 2.247 2.146 2.508 . 0 0 "[ . 1 . 2]" 2
115 1 10 ILE H 1 10 ILE HB . . 3.690 3.157 2.546 3.717 0.027 12 0 "[ . 1 . 2]" 2
116 1 10 ILE H 1 10 ILE HG12 . . 3.800 2.647 1.894 3.805 0.005 2 0 "[ . 1 . 2]" 2
117 1 10 ILE H 1 10 ILE HG13 . . 3.800 2.821 1.841 3.526 . 0 0 "[ . 1 . 2]" 2
118 1 10 ILE H 1 10 ILE MG . . 4.070 3.114 2.073 3.818 . 0 0 "[ . 1 . 2]" 2
119 1 10 ILE H 1 10 ILE MD . . 4.510 3.301 1.842 3.942 . 0 0 "[ . 1 . 2]" 2
120 1 32 ARG H 1 33 CYS H . . 2.890 2.406 2.284 2.511 . 0 0 "[ . 1 . 2]" 2
121 1 30 CYS HA 1 32 ARG H . . 4.180 4.077 3.978 4.226 0.046 19 0 "[ . 1 . 2]" 2
122 1 30 CYS HB3 1 32 ARG H . . 4.340 3.177 2.978 3.388 . 0 0 "[ . 1 . 2]" 2
123 1 30 CYS HB2 1 32 ARG H . . 4.630 4.359 4.267 4.558 . 0 0 "[ . 1 . 2]" 2
124 1 31 GLU HG2 1 32 ARG H . . 4.770 3.205 2.541 4.586 . 0 0 "[ . 1 . 2]" 2
125 1 32 ARG H 1 32 ARG HB2 . . 3.000 2.424 2.311 2.610 . 0 0 "[ . 1 . 2]" 2
126 1 32 ARG H 1 32 ARG HG3 . . 4.090 2.810 2.347 3.039 . 0 0 "[ . 1 . 2]" 2
127 1 32 ARG H 1 32 ARG HG2 . . 4.090 3.896 3.229 4.151 0.061 17 0 "[ . 1 . 2]" 2
128 1 24 GLU HB3 1 25 MET H . . 4.460 3.260 2.777 3.616 . 0 0 "[ . 1 . 2]" 2
129 1 34 SER H 1 35 ARG H . . 3.180 2.692 2.561 2.789 . 0 0 "[ . 1 . 2]" 2
130 1 35 ARG H 1 37 PHE HZ . . 4.550 4.436 4.236 4.557 0.007 4 0 "[ . 1 . 2]" 2
131 1 33 CYS HA 1 35 ARG H . . 5.500 5.038 4.853 5.220 . 0 0 "[ . 1 . 2]" 2
132 1 35 ARG H 1 36 ASN HA . . 5.500 5.068 4.972 5.188 . 0 0 "[ . 1 . 2]" 2
133 1 34 SER HA 1 35 ARG H . . 3.370 2.719 2.630 2.824 . 0 0 "[ . 1 . 2]" 2
134 1 30 CYS HB3 1 35 ARG H . . 3.350 2.193 2.018 2.392 . 0 0 "[ . 1 . 2]" 2
135 1 33 CYS HB2 1 35 ARG H . . 4.310 4.084 3.755 4.304 . 0 0 "[ . 1 . 2]" 2
136 1 35 ARG H 1 35 ARG HB2 . . 3.080 2.518 2.436 2.600 . 0 0 "[ . 1 . 2]" 2
137 1 35 ARG H 1 35 ARG HG3 . . 3.490 3.290 3.082 3.409 . 0 0 "[ . 1 . 2]" 2
138 1 35 ARG H 1 35 ARG HG2 . . 4.280 4.063 3.910 4.254 . 0 0 "[ . 1 . 2]" 2
139 1 35 ARG H 1 35 ARG HB3 . . 3.900 3.696 3.653 3.734 . 0 0 "[ . 1 . 2]" 2
140 1 29 THR MG 1 35 ARG H . . 4.030 2.720 2.484 2.902 . 0 0 "[ . 1 . 2]" 2
141 1 24 GLU H 1 24 GLU HB2 . . 4.040 2.276 2.183 2.497 . 0 0 "[ . 1 . 2]" 2
142 1 23 ARG QB 1 24 GLU H . . 4.070 3.688 3.390 3.884 . 0 0 "[ . 1 . 2]" 2
143 1 51 GLY H 1 52 GLU H . . 4.150 3.259 2.451 4.100 . 0 0 "[ . 1 . 2]" 2
144 1 51 GLY QA 1 52 GLU H . . 3.090 2.318 2.111 2.741 . 0 0 "[ . 1 . 2]" 2
145 1 52 GLU H 1 52 GLU QG . . 4.130 3.155 1.956 4.083 . 0 0 "[ . 1 . 2]" 2
146 1 52 GLU H 1 52 GLU HB2 . . 3.860 2.806 2.213 3.764 . 0 0 "[ . 1 . 2]" 2
147 1 52 GLU H 1 52 GLU HB3 . . 3.860 3.121 2.399 3.886 0.026 11 0 "[ . 1 . 2]" 2
148 1 39 ILE H 1 40 LYS H . . 3.270 2.947 2.592 3.030 . 0 0 "[ . 1 . 2]" 2
149 1 38 CYS HA 1 40 LYS H . . 4.480 4.200 4.128 4.334 . 0 0 "[ . 1 . 2]" 2
150 1 38 CYS HB2 1 40 LYS H . . 3.710 3.086 3.008 3.235 . 0 0 "[ . 1 . 2]" 2
151 1 40 LYS H 1 40 LYS QE . . 4.210 2.932 2.553 3.215 . 0 0 "[ . 1 . 2]" 2
152 1 39 ILE HB 1 40 LYS H . . 3.490 2.754 2.629 3.026 . 0 0 "[ . 1 . 2]" 2
153 1 40 LYS H 1 40 LYS HB2 . . 2.930 2.203 2.178 2.277 . 0 0 "[ . 1 . 2]" 2
154 1 40 LYS H 1 40 LYS HG3 . . 4.280 3.660 3.469 3.781 . 0 0 "[ . 1 . 2]" 2
155 1 39 ILE MG 1 40 LYS H . . 3.270 3.216 3.116 3.296 0.026 12 0 "[ . 1 . 2]" 2
156 1 42 ARG H 1 43 HIS H . . 3.400 2.514 2.351 2.611 . 0 0 "[ . 1 . 2]" 2
157 1 40 LYS H 1 42 ARG H . . 4.000 3.799 3.696 3.935 . 0 0 "[ . 1 . 2]" 2
158 1 41 HIS H 1 42 ARG H . . 2.840 2.481 2.376 2.576 . 0 0 "[ . 1 . 2]" 2
159 1 40 LYS HA 1 42 ARG H . . 4.510 3.978 3.939 4.020 . 0 0 "[ . 1 . 2]" 2
160 1 39 ILE HA 1 42 ARG H . . 3.700 3.403 3.341 3.508 . 0 0 "[ . 1 . 2]" 2
161 1 41 HIS HB3 1 42 ARG H . . 5.100 4.436 4.412 4.478 . 0 0 "[ . 1 . 2]" 2
162 1 41 HIS HB2 1 42 ARG H . . 4.030 3.929 3.843 4.002 . 0 0 "[ . 1 . 2]" 2
163 1 42 ARG H 1 43 HIS QB . . 4.480 4.283 4.120 4.412 . 0 0 "[ . 1 . 2]" 2
164 1 37 PHE HB2 1 42 ARG H . . 4.500 4.435 4.346 4.494 . 0 0 "[ . 1 . 2]" 2
165 1 42 ARG H 1 42 ARG HB2 . . 3.050 2.961 2.906 3.050 . 0 0 "[ . 1 . 2]" 2
166 1 42 ARG H 1 42 ARG HB3 . . 2.930 2.193 2.169 2.214 . 0 0 "[ . 1 . 2]" 2
167 1 42 ARG H 1 42 ARG HG2 . . 4.530 4.477 4.408 4.527 . 0 0 "[ . 1 . 2]" 2
168 1 28 LEU MD1 1 42 ARG H . . 4.930 4.851 4.768 4.946 0.016 17 0 "[ . 1 . 2]" 2
169 1 12 THR HB 1 13 ASN H . . 4.480 2.976 2.071 4.004 . 0 0 "[ . 1 . 2]" 2
170 1 37 PHE HA 1 38 CYS H . . 2.970 2.485 2.419 2.566 . 0 0 "[ . 1 . 2]" 2
171 1 15 CYS HA 1 38 CYS H . . 3.990 3.793 3.617 3.962 . 0 0 "[ . 1 . 2]" 2
172 1 38 CYS H 1 38 CYS HB2 . . 3.730 3.674 3.651 3.697 . 0 0 "[ . 1 . 2]" 2
173 1 37 PHE HB3 1 38 CYS H . . 3.100 2.282 2.129 2.424 . 0 0 "[ . 1 . 2]" 2
174 1 15 CYS HB2 1 38 CYS H . . 3.420 3.063 2.758 3.357 . 0 0 "[ . 1 . 2]" 2
175 1 38 CYS H 1 38 CYS HB3 . . 3.280 2.745 2.669 2.824 . 0 0 "[ . 1 . 2]" 2
176 1 37 PHE HB2 1 38 CYS H . . 3.660 3.402 3.266 3.505 . 0 0 "[ . 1 . 2]" 2
177 1 17 ARG HA 1 18 ALA H . . 3.030 2.227 2.142 2.314 . 0 0 "[ . 1 . 2]" 2
178 1 18 ALA H 1 18 ALA MB . . 3.050 2.118 2.026 2.212 . 0 0 "[ . 1 . 2]" 2
179 1 25 MET H 1 26 MET H . . 3.800 2.715 2.452 2.969 . 0 0 "[ . 1 . 2]" 2
180 1 26 MET H 1 27 LYS H . . 4.750 4.543 4.467 4.587 . 0 0 "[ . 1 . 2]" 2
181 1 26 MET H 1 26 MET HG3 . . 3.820 3.389 2.825 3.789 . 0 0 "[ . 1 . 2]" 2
182 1 26 MET H 1 26 MET HG2 . . 3.820 2.281 2.000 2.727 . 0 0 "[ . 1 . 2]" 2
183 1 24 GLU HB3 1 26 MET H . . 3.340 2.844 2.752 3.019 . 0 0 "[ . 1 . 2]" 2
184 1 26 MET H 1 26 MET HB3 . . 3.060 2.756 2.635 2.887 . 0 0 "[ . 1 . 2]" 2
185 1 29 THR H 1 30 CYS H . . 4.680 4.486 4.425 4.595 . 0 0 "[ . 1 . 2]" 2
186 1 28 LEU H 1 29 THR H . . 4.330 3.979 3.763 4.262 . 0 0 "[ . 1 . 2]" 2
187 1 28 LEU HA 1 29 THR H . . 2.600 2.191 2.138 2.260 . 0 0 "[ . 1 . 2]" 2
188 1 29 THR H 1 29 THR HB . . 2.950 2.641 2.553 2.778 . 0 0 "[ . 1 . 2]" 2
189 1 28 LEU HB2 1 29 THR H . . 4.540 4.431 4.324 4.493 . 0 0 "[ . 1 . 2]" 2
190 1 35 ARG H 1 36 ASN H . . 4.650 4.483 4.443 4.528 . 0 0 "[ . 1 . 2]" 2
191 1 36 ASN H 1 36 ASN HD21 . . 4.770 4.641 4.212 4.756 . 0 0 "[ . 1 . 2]" 2
192 1 35 ARG HA 1 36 ASN H . . 2.800 2.310 2.280 2.380 . 0 0 "[ . 1 . 2]" 2
193 1 29 THR H 1 42 ARG HD3 . . 5.500 4.564 4.184 5.108 . 0 0 "[ . 1 . 2]" 2
194 1 16 GLU HG3 1 36 ASN H . . 3.240 2.751 2.452 2.972 . 0 0 "[ . 1 . 2]" 2
195 1 36 ASN H 1 36 ASN HB3 . . 3.480 2.697 2.504 2.854 . 0 0 "[ . 1 . 2]" 2
196 1 35 ARG HG2 1 36 ASN H . . 3.980 3.857 3.719 3.954 . 0 0 "[ . 1 . 2]" 2
197 1 16 GLU HB2 1 36 ASN H . . 4.180 3.887 3.681 4.104 . 0 0 "[ . 1 . 2]" 2
198 1 35 ARG HB3 1 36 ASN H . . 3.060 2.678 2.498 2.757 . 0 0 "[ . 1 . 2]" 2
199 1 28 LEU H 1 37 PHE H . . 3.910 3.656 3.531 3.767 . 0 0 "[ . 1 . 2]" 2
200 1 37 PHE H 1 37 PHE HD2 . . 4.670 3.839 3.691 3.951 . 0 0 "[ . 1 . 2]" 2
201 1 36 ASN HA 1 37 PHE H . . 2.720 2.226 2.200 2.243 . 0 0 "[ . 1 . 2]" 2
202 1 37 PHE H 1 37 PHE HB3 . . 4.040 3.984 3.965 3.999 . 0 0 "[ . 1 . 2]" 2
203 1 37 PHE H 1 37 PHE HB2 . . 3.360 3.014 2.977 3.046 . 0 0 "[ . 1 . 2]" 2
204 1 30 CYS H 1 37 PHE H . . 5.170 4.836 4.707 4.973 . 0 0 "[ . 1 . 2]" 2
205 1 38 CYS HA 1 39 ILE H . . 3.080 2.316 2.264 2.617 . 0 0 "[ . 1 . 2]" 2
206 1 38 CYS HB2 1 39 ILE H . . 2.930 2.692 2.083 2.806 . 0 0 "[ . 1 . 2]" 2
207 1 38 CYS HB3 1 39 ILE H . . 4.170 3.958 3.603 4.017 . 0 0 "[ . 1 . 2]" 2
208 1 24 GLU HG2 1 39 ILE H . . 4.360 2.910 2.221 3.593 . 0 0 "[ . 1 . 2]" 2
209 1 24 GLU HB2 1 39 ILE H . . 4.980 4.483 4.143 4.907 . 0 0 "[ . 1 . 2]" 2
210 1 39 ILE H 1 42 ARG HB2 . . 5.210 4.050 3.910 4.450 . 0 0 "[ . 1 . 2]" 2
211 1 39 ILE H 1 39 ILE HB . . 2.950 2.522 2.302 2.590 . 0 0 "[ . 1 . 2]" 2
212 1 39 ILE H 1 39 ILE HG13 . . 3.490 2.221 2.084 2.615 . 0 0 "[ . 1 . 2]" 2
213 1 39 ILE H 1 39 ILE HG12 . . 3.880 3.520 3.382 3.875 . 0 0 "[ . 1 . 2]" 2
214 1 45 LEU H 1 46 ASP H . . 4.180 2.077 1.862 2.355 . 0 0 "[ . 1 . 2]" 2
215 1 43 HIS QB 1 46 ASP H . . 4.550 2.620 2.111 3.144 . 0 0 "[ . 1 . 2]" 2
216 1 30 CYS HA 1 31 GLU H . . 2.880 2.452 2.410 2.498 . 0 0 "[ . 1 . 2]" 2
217 1 30 CYS HB2 1 31 GLU H . . 4.520 3.868 3.840 3.918 . 0 0 "[ . 1 . 2]" 2
218 1 31 GLU H 1 31 GLU HB3 . . 3.730 2.749 2.325 2.963 . 0 0 "[ . 1 . 2]" 2
219 1 31 GLU H 1 31 GLU HB2 . . 3.730 3.631 3.124 3.741 0.011 8 0 "[ . 1 . 2]" 2
220 1 40 LYS QD 1 41 HIS H . . 5.090 4.441 4.237 4.564 . 0 0 "[ . 1 . 2]" 2
221 1 38 CYS H 1 41 HIS H . . 4.230 3.300 3.189 3.412 . 0 0 "[ . 1 . 2]" 2
222 1 41 HIS H 1 42 ARG HA . . 4.600 4.523 4.431 4.583 . 0 0 "[ . 1 . 2]" 2
223 1 39 ILE HA 1 41 HIS H . . 4.780 4.466 4.288 4.600 . 0 0 "[ . 1 . 2]" 2
224 1 41 HIS H 1 41 HIS HB3 . . 3.720 3.712 3.692 3.737 0.017 10 0 "[ . 1 . 2]" 2
225 1 41 HIS H 1 42 ARG HB2 . . 5.080 4.643 4.556 4.719 . 0 0 "[ . 1 . 2]" 2
226 1 41 HIS H 1 42 ARG HB3 . . 4.480 4.363 4.262 4.430 . 0 0 "[ . 1 . 2]" 2
227 1 40 LYS HB2 1 41 HIS H . . 3.690 2.779 2.666 2.950 . 0 0 "[ . 1 . 2]" 2
228 1 40 LYS HB3 1 41 HIS H . . 3.650 3.305 3.190 3.476 . 0 0 "[ . 1 . 2]" 2
229 1 39 ILE MG 1 41 HIS H . . 4.880 4.874 4.814 4.911 0.031 1 0 "[ . 1 . 2]" 2
230 1 33 CYS H 1 35 ARG H . . 4.350 4.164 4.063 4.268 . 0 0 "[ . 1 . 2]" 2
231 1 33 CYS H 1 34 SER HA . . 4.770 4.525 4.449 4.583 . 0 0 "[ . 1 . 2]" 2
232 1 30 CYS HB3 1 33 CYS H . . 3.600 2.712 2.583 2.804 . 0 0 "[ . 1 . 2]" 2
233 1 33 CYS H 1 33 CYS HB2 . . 3.930 3.621 3.597 3.649 . 0 0 "[ . 1 . 2]" 2
234 1 33 CYS H 1 33 CYS HB3 . . 3.450 2.854 2.780 2.883 . 0 0 "[ . 1 . 2]" 2
235 1 32 ARG HB2 1 33 CYS H . . 3.260 2.321 2.228 2.444 . 0 0 "[ . 1 . 2]" 2
236 1 32 ARG HB3 1 33 CYS H . . 3.560 3.247 3.089 3.501 . 0 0 "[ . 1 . 2]" 2
237 1 41 HIS H 1 41 HIS HB2 . . 3.130 2.554 2.516 2.612 . 0 0 "[ . 1 . 2]" 2
238 1 10 ILE H 1 11 PHE H . . 4.610 3.004 2.142 3.645 . 0 0 "[ . 1 . 2]" 2
239 1 40 LYS H 1 41 HIS H . . 2.840 2.632 2.451 2.718 . 0 0 "[ . 1 . 2]" 2
240 1 28 LEU HG 1 29 THR H . . 5.200 4.952 4.860 5.004 . 0 0 "[ . 1 . 2]" 2
241 1 31 GLU H 1 32 ARG H . . 3.290 2.056 1.994 2.112 . 0 0 "[ . 1 . 2]" 2
242 1 11 PHE H 1 11 PHE QD . . 4.950 2.669 1.900 3.762 . 0 0 "[ . 1 . 2]" 2
243 1 11 PHE H 1 12 THR H . . 5.500 2.910 2.044 4.604 . 0 0 "[ . 1 . 2]" 2
244 1 13 ASN HD21 1 26 MET HA . . 4.740 4.004 3.563 4.683 . 0 0 "[ . 1 . 2]" 2
245 1 13 ASN HD21 1 24 GLU HB2 . . 5.500 3.998 3.389 5.510 0.010 10 0 "[ . 1 . 2]" 2
246 1 13 ASN HD22 1 24 GLU HB2 . . 5.500 4.845 2.132 5.509 0.009 9 0 "[ . 1 . 2]" 2
247 1 24 GLU HB2 1 36 ASN HD22 . . 5.500 4.681 4.000 5.512 0.012 17 0 "[ . 1 . 2]" 2
248 1 13 ASN H 1 13 ASN HD21 . . 5.030 2.405 1.834 3.211 . 0 0 "[ . 1 . 2]" 2
249 1 14 LYS H 1 15 CYS H . . 4.550 4.387 4.174 4.527 . 0 0 "[ . 1 . 2]" 2
250 1 13 ASN H 1 14 LYS H . . 4.700 4.506 4.105 4.645 . 0 0 "[ . 1 . 2]" 2
251 1 15 CYS H 1 37 PHE HA . . 5.290 4.872 4.647 5.091 . 0 0 "[ . 1 . 2]" 2
252 1 15 CYS H 1 38 CYS H . . 5.500 5.445 5.291 5.521 0.021 10 0 "[ . 1 . 2]" 2
253 1 16 GLU H 1 37 PHE H . . 4.700 4.450 4.229 4.669 . 0 0 "[ . 1 . 2]" 2
254 1 16 GLU H 1 37 PHE HE1 . . 5.090 3.643 3.397 3.843 . 0 0 "[ . 1 . 2]" 2
255 1 17 ARG H 1 20 CYS H . . 5.330 5.101 4.788 5.343 0.013 14 0 "[ . 1 . 2]" 2
256 1 17 ARG H 1 38 CYS H . . 5.080 5.027 4.541 5.101 0.021 20 0 "[ . 1 . 2]" 2
257 1 17 ARG HB3 1 18 ALA H . . 5.020 3.905 3.486 4.448 . 0 0 "[ . 1 . 2]" 2
258 1 21 ARG H 1 22 GLN H . . 3.960 2.670 2.325 3.036 . 0 0 "[ . 1 . 2]" 2
259 1 22 GLN H 1 22 GLN HB3 . . 3.600 3.509 3.460 3.583 . 0 0 "[ . 1 . 2]" 2
260 1 22 GLN H 1 22 GLN HB2 . . 3.010 2.215 2.146 2.324 . 0 0 "[ . 1 . 2]" 2
261 1 22 GLN H 1 38 CYS HB3 . . 4.840 4.331 3.975 4.706 . 0 0 "[ . 1 . 2]" 2
262 1 15 CYS HB3 1 22 GLN H . . 3.930 2.934 2.247 3.582 . 0 0 "[ . 1 . 2]" 2
263 1 27 LYS H 1 27 LYS QE . . 5.500 4.756 3.858 5.514 0.014 5 0 "[ . 1 . 2]" 2
264 1 23 ARG H 1 38 CYS HB3 . . 5.500 5.051 4.551 5.503 0.003 11 0 "[ . 1 . 2]" 2
265 1 24 GLU H 1 24 GLU HB3 . . 4.150 3.539 3.484 3.681 . 0 0 "[ . 1 . 2]" 2
266 1 26 MET H 1 28 LEU MD1 . . 4.610 4.344 4.087 4.607 . 0 0 "[ . 1 . 2]" 2
267 1 27 LYS H 1 28 LEU MD1 . . 5.500 5.481 5.394 5.504 0.004 9 0 "[ . 1 . 2]" 2
268 1 27 LYS H 1 28 LEU MD2 . . 5.500 5.270 4.947 5.499 . 0 0 "[ . 1 . 2]" 2
269 1 24 GLU HB2 1 28 LEU H . . 4.780 4.710 4.195 4.813 0.033 10 0 "[ . 1 . 2]" 2
270 1 28 LEU H 1 28 LEU HB2 . . 3.370 2.609 2.504 2.700 . 0 0 "[ . 1 . 2]" 2
271 1 30 CYS H 1 31 GLU H . . 4.790 4.623 4.590 4.634 . 0 0 "[ . 1 . 2]" 2
272 1 30 CYS HB3 1 31 GLU H . . 4.900 3.279 3.122 3.394 . 0 0 "[ . 1 . 2]" 2
273 1 32 ARG H 1 32 ARG HD2 . . 5.330 4.630 3.511 5.234 . 0 0 "[ . 1 . 2]" 2
274 1 32 ARG H 1 51 GLY QA . . 5.470 5.222 4.929 5.443 . 0 0 "[ . 1 . 2]" 2
275 1 33 CYS H 1 51 GLY QA . . 4.780 3.646 3.261 3.951 . 0 0 "[ . 1 . 2]" 2
276 1 30 CYS HA 1 33 CYS H . . 5.160 5.125 5.017 5.172 0.012 10 0 "[ . 1 . 2]" 2
277 1 30 CYS H 1 33 CYS H . . 5.500 5.464 5.354 5.549 0.049 19 0 "[ . 1 . 2]" 2
278 1 31 GLU H 1 33 CYS H . . 4.750 4.026 3.894 4.140 . 0 0 "[ . 1 . 2]" 2
279 1 35 ARG H 1 37 PHE HE2 . . 4.720 2.735 2.506 3.002 . 0 0 "[ . 1 . 2]" 2
280 1 36 ASN H 1 37 PHE HZ . . 5.360 5.130 4.951 5.250 . 0 0 "[ . 1 . 2]" 2
281 1 37 PHE H 1 38 CYS H . . 4.760 4.378 4.372 4.386 . 0 0 "[ . 1 . 2]" 2
282 1 28 LEU HB2 1 37 PHE H . . 3.740 3.128 2.881 3.359 . 0 0 "[ . 1 . 2]" 2
283 1 37 PHE H 1 42 ARG HD2 . . 5.420 5.007 4.769 5.211 . 0 0 "[ . 1 . 2]" 2
284 1 38 CYS H 1 42 ARG HA . . 4.760 4.431 4.324 4.542 . 0 0 "[ . 1 . 2]" 2
285 1 39 ILE H 1 41 HIS H . . 4.730 4.391 4.143 4.516 . 0 0 "[ . 1 . 2]" 2
286 1 38 CYS H 1 39 ILE H . . 4.860 4.560 4.486 4.585 . 0 0 "[ . 1 . 2]" 2
287 1 41 HIS H 1 43 HIS H . . 4.970 4.716 4.576 4.859 . 0 0 "[ . 1 . 2]" 2
288 1 37 PHE HB2 1 41 HIS H . . 5.300 5.056 4.946 5.125 . 0 0 "[ . 1 . 2]" 2
289 1 38 CYS HB3 1 41 HIS H . . 5.260 4.396 4.326 4.460 . 0 0 "[ . 1 . 2]" 2
290 1 40 LYS QE 1 41 HIS H . . 5.500 4.295 4.030 4.532 . 0 0 "[ . 1 . 2]" 2
291 1 40 LYS HB3 1 42 ARG H . . 5.130 5.056 4.960 5.160 0.030 12 0 "[ . 1 . 2]" 2
292 1 42 ARG H 1 46 ASP HB2 . . 4.940 4.614 4.152 4.853 . 0 0 "[ . 1 . 2]" 2
293 1 38 CYS H 1 42 ARG H . . 4.940 4.472 4.295 4.636 . 0 0 "[ . 1 . 2]" 2
294 1 43 HIS H 1 44 PRO HD2 . . 5.090 4.828 4.794 4.842 . 0 0 "[ . 1 . 2]" 2
295 1 45 LEU H 1 47 HIS H . . 4.890 3.779 3.448 3.932 . 0 0 "[ . 1 . 2]" 2
296 1 47 HIS H 1 47 HIS HD2 . . 5.030 4.510 4.409 4.776 . 0 0 "[ . 1 . 2]" 2
297 1 33 CYS HB3 1 50 SER H . . 4.720 2.882 2.257 3.547 . 0 0 "[ . 1 . 2]" 2
298 1 33 CYS HB2 1 50 SER H . . 5.070 4.082 3.405 4.934 . 0 0 "[ . 1 . 2]" 2
299 1 49 CYS H 1 50 SER H . . 5.080 4.518 4.274 4.642 . 0 0 "[ . 1 . 2]" 2
300 1 33 CYS HB3 1 52 GLU H . . 5.070 4.040 2.867 4.798 . 0 0 "[ . 1 . 2]" 2
301 1 52 GLU QG 1 53 GLY H . . 5.060 3.719 2.246 4.501 . 0 0 "[ . 1 . 2]" 2
302 1 52 GLU HB3 1 53 GLY H . . 4.750 3.630 2.088 4.495 . 0 0 "[ . 1 . 2]" 2
303 1 47 HIS H 1 47 HIS HD1 . . 4.480 3.757 2.629 4.213 . 0 0 "[ . 1 . 2]" 2
304 1 47 HIS HD2 1 49 CYS QB . . 4.090 3.334 3.003 3.857 . 0 0 "[ . 1 . 2]" 2
305 1 47 HIS HD2 1 49 CYS H . . 4.720 3.313 2.794 4.128 . 0 0 "[ . 1 . 2]" 2
306 1 41 HIS HD2 1 46 ASP HB2 . . 4.520 3.762 3.437 4.112 . 0 0 "[ . 1 . 2]" 2
307 1 43 HIS HA 1 43 HIS HD2 . . 4.430 3.238 2.545 3.414 . 0 0 "[ . 1 . 2]" 2
308 1 43 HIS QB 1 43 HIS HD2 . . 3.610 2.775 2.720 3.024 . 0 0 "[ . 1 . 2]" 2
309 1 37 PHE HA 1 37 PHE HD1 . . 4.630 2.541 2.433 2.675 . 0 0 "[ . 1 . 2]" 2
310 1 37 PHE HA 1 37 PHE HD2 . . 4.570 4.403 4.342 4.456 . 0 0 "[ . 1 . 2]" 2
311 1 15 CYS HB2 1 37 PHE HA . . 4.380 3.384 3.180 3.661 . 0 0 "[ . 1 . 2]" 2
312 1 20 CYS HA 1 41 HIS HE1 . . 4.440 3.965 3.270 4.398 . 0 0 "[ . 1 . 2]" 2
313 1 20 CYS HB2 1 41 HIS HE1 . . 4.070 2.429 1.993 2.865 . 0 0 "[ . 1 . 2]" 2
314 1 40 LYS HB2 1 41 HIS HE1 . . 5.400 5.247 5.065 5.398 . 0 0 "[ . 1 . 2]" 2
315 1 43 HIS HE1 1 45 LEU H . . 4.560 4.447 4.257 4.563 0.003 6 0 "[ . 1 . 2]" 2
316 1 43 HIS HE1 1 44 PRO HD2 . . 4.670 3.479 3.396 3.972 . 0 0 "[ . 1 . 2]" 2
317 1 43 HIS HE1 1 45 LEU HG . . 3.050 2.798 2.128 3.064 0.014 5 0 "[ . 1 . 2]" 2
318 1 43 HIS HE1 1 45 LEU MD1 . . 3.210 2.133 1.909 3.279 0.069 10 0 "[ . 1 . 2]" 2
319 1 30 CYS HA 1 47 HIS HE1 . . 4.940 4.328 4.200 4.609 . 0 0 "[ . 1 . 2]" 2
320 1 43 HIS HA 1 47 HIS HE1 . . 5.330 4.436 4.175 4.599 . 0 0 "[ . 1 . 2]" 2
321 1 44 PRO HD3 1 47 HIS HE1 . . 4.080 3.827 3.463 4.099 0.019 11 0 "[ . 1 . 2]" 2
322 1 30 CYS HB3 1 47 HIS HE1 . . 4.710 4.423 4.278 4.609 . 0 0 "[ . 1 . 2]" 2
323 1 30 CYS HB2 1 47 HIS HE1 . . 3.370 3.298 3.128 3.383 0.013 11 0 "[ . 1 . 2]" 2
324 1 44 PRO HA 1 47 HIS HE1 . . 3.450 2.406 1.992 2.596 . 0 0 "[ . 1 . 2]" 2
325 1 47 HIS HE1 1 49 CYS QB . . 4.410 3.726 3.002 4.200 . 0 0 "[ . 1 . 2]" 2
326 1 17 ARG HA 1 18 ALA MB . . 4.340 3.975 3.898 4.057 . 0 0 "[ . 1 . 2]" 2
327 1 39 ILE H 1 39 ILE MG . . 3.870 3.771 3.685 3.786 . 0 0 "[ . 1 . 2]" 2
328 1 39 ILE MG 1 40 LYS HA . . 3.730 3.129 3.049 3.197 . 0 0 "[ . 1 . 2]" 2
329 1 37 PHE HB3 1 42 ARG H . . 4.470 4.248 4.110 4.334 . 0 0 "[ . 1 . 2]" 2
330 1 10 ILE HG12 1 10 ILE MG . . 3.340 2.419 2.021 3.195 . 0 0 "[ . 1 . 2]" 2
331 1 18 ALA MB 1 19 GLY HA2 . . 4.770 4.407 3.689 4.612 . 0 0 "[ . 1 . 2]" 2
332 1 33 CYS HA 1 51 GLY QA . . 4.390 2.430 1.801 3.234 . 0 0 "[ . 1 . 2]" 2
333 1 33 CYS HB3 1 51 GLY QA . . 4.170 2.970 2.375 3.405 . 0 0 "[ . 1 . 2]" 2
334 1 32 ARG HB2 1 51 GLY QA . . 4.180 3.791 3.491 4.181 0.001 10 0 "[ . 1 . 2]" 2
335 1 32 ARG HB3 1 51 GLY QA . . 3.820 2.818 2.452 3.297 . 0 0 "[ . 1 . 2]" 2
336 1 51 GLY QA 1 52 GLU QG . . 5.500 4.659 3.497 5.492 . 0 0 "[ . 1 . 2]" 2
337 1 35 ARG QD 1 36 ASN H . . 4.720 4.386 4.143 4.649 . 0 0 "[ . 1 . 2]" 2
338 1 35 ARG H 1 35 ARG QD . . 4.630 4.541 4.140 4.718 0.088 14 0 "[ . 1 . 2]" 2
339 1 35 ARG QD 1 37 PHE HZ . . 3.900 2.508 2.285 2.834 . 0 0 "[ . 1 . 2]" 2
340 1 35 ARG HA 1 35 ARG QD . . 4.070 3.867 3.723 4.035 . 0 0 "[ . 1 . 2]" 2
341 1 16 GLU HG3 1 35 ARG QD . . 4.880 4.590 4.372 4.835 . 0 0 "[ . 1 . 2]" 2
342 1 35 ARG HB2 1 35 ARG QD . . 3.330 2.564 2.378 2.894 . 0 0 "[ . 1 . 2]" 2
343 1 16 GLU HB2 1 35 ARG QD . . 4.000 3.549 3.242 3.902 . 0 0 "[ . 1 . 2]" 2
344 1 35 ARG HB3 1 35 ARG QD . . 3.400 2.262 2.127 2.397 . 0 0 "[ . 1 . 2]" 2
345 1 32 ARG HB2 1 32 ARG HD2 . . 4.110 3.196 2.240 3.697 . 0 0 "[ . 1 . 2]" 2
346 1 32 ARG HD2 1 44 PRO HG3 . . 5.280 3.585 2.459 4.484 . 0 0 "[ . 1 . 2]" 2
347 1 32 ARG HB2 1 32 ARG HD3 . . 4.110 2.661 2.192 3.897 . 0 0 "[ . 1 . 2]" 2
348 1 21 ARG HA 1 21 ARG QD . . 4.380 3.577 2.059 4.368 . 0 0 "[ . 1 . 2]" 2
349 1 21 ARG HB2 1 21 ARG QD . . 3.700 2.696 2.069 3.469 . 0 0 "[ . 1 . 2]" 2
350 1 42 ARG HA 1 42 ARG HD3 . . 3.860 3.708 3.573 3.831 . 0 0 "[ . 1 . 2]" 2
351 1 28 LEU HB2 1 42 ARG HD3 . . 4.590 3.712 3.435 3.836 . 0 0 "[ . 1 . 2]" 2
352 1 28 LEU MD2 1 42 ARG HD3 . . 3.680 2.267 2.031 2.506 . 0 0 "[ . 1 . 2]" 2
353 1 42 ARG HA 1 42 ARG HD2 . . 4.140 2.323 2.192 2.595 . 0 0 "[ . 1 . 2]" 2
354 1 28 LEU HB2 1 42 ARG HD2 . . 4.450 4.162 3.806 4.433 . 0 0 "[ . 1 . 2]" 2
355 1 42 ARG HB2 1 42 ARG HD2 . . 3.930 2.599 2.511 2.695 . 0 0 "[ . 1 . 2]" 2
356 1 28 LEU HB3 1 42 ARG HD2 . . 3.800 2.829 2.579 3.030 . 0 0 "[ . 1 . 2]" 2
357 1 28 LEU MD2 1 42 ARG HD2 . . 3.920 3.719 3.518 3.895 . 0 0 "[ . 1 . 2]" 2
358 1 17 ARG HA 1 17 ARG HD2 . . 4.270 3.193 1.991 4.267 . 0 0 "[ . 1 . 2]" 2
359 1 43 HIS H 1 46 ASP HB3 . . 5.250 4.985 4.434 5.254 0.004 10 0 "[ . 1 . 2]" 2
360 1 46 ASP H 1 46 ASP HB3 . . 3.970 3.615 3.538 3.777 . 0 0 "[ . 1 . 2]" 2
361 1 46 ASP H 1 46 ASP HB2 . . 3.610 2.393 2.259 2.646 . 0 0 "[ . 1 . 2]" 2
362 1 43 HIS QB 1 46 ASP HB2 . . 4.000 2.997 2.643 3.335 . 0 0 "[ . 1 . 2]" 2
363 1 14 LYS HA 1 14 LYS QE . . 5.430 4.732 4.115 5.428 . 0 0 "[ . 1 . 2]" 2
364 1 14 LYS QE 1 14 LYS HG2 . . 3.870 2.550 2.110 3.459 . 0 0 "[ . 1 . 2]" 2
365 1 28 LEU HB2 1 28 LEU MD1 . . 3.260 2.131 1.981 2.215 . 0 0 "[ . 1 . 2]" 2
366 1 28 LEU HB3 1 29 THR H . . 4.610 3.810 3.512 4.011 . 0 0 "[ . 1 . 2]" 2
367 1 12 THR HB 1 23 ARG QB . . 3.480 2.757 1.998 3.403 . 0 0 "[ . 1 . 2]" 2
368 1 28 LEU HA 1 29 THR HB . . 4.960 4.804 4.622 4.925 . 0 0 "[ . 1 . 2]" 2
369 1 29 THR HB 1 34 SER HA . . 4.430 4.330 4.102 4.448 0.018 17 0 "[ . 1 . 2]" 2
370 1 39 ILE H 1 39 ILE MD . . 4.090 3.572 3.520 3.718 . 0 0 "[ . 1 . 2]" 2
371 1 39 ILE HA 1 39 ILE MD . . 3.870 3.793 3.770 3.814 . 0 0 "[ . 1 . 2]" 2
372 1 39 ILE HB 1 39 ILE MD . . 3.210 2.396 2.288 2.459 . 0 0 "[ . 1 . 2]" 2
373 1 27 LYS QE 1 27 LYS HG2 . . 3.670 2.638 2.070 3.502 . 0 0 "[ . 1 . 2]" 2
374 1 27 LYS QE 1 27 LYS HG3 . . 3.670 3.006 2.126 3.475 . 0 0 "[ . 1 . 2]" 2
375 1 39 ILE MG 1 40 LYS QE . . 4.660 4.653 4.573 4.687 0.027 20 0 "[ . 1 . 2]" 2
376 1 27 LYS HB3 1 27 LYS QE . . 4.460 2.779 2.010 4.160 . 0 0 "[ . 1 . 2]" 2
377 1 36 ASN H 1 36 ASN HB2 . . 3.480 2.423 2.285 2.614 . 0 0 "[ . 1 . 2]" 2
378 1 29 THR HB 1 30 CYS H . . 4.160 3.985 3.722 4.128 . 0 0 "[ . 1 . 2]" 2
379 1 45 LEU H 1 45 LEU HB2 . . 3.920 2.425 2.329 2.735 . 0 0 "[ . 1 . 2]" 2
380 1 45 LEU HB2 1 45 LEU MD1 . . 3.150 2.301 2.159 3.079 . 0 0 "[ . 1 . 2]" 2
381 1 45 LEU HB2 1 46 ASP H . . 4.720 3.061 2.765 3.856 . 0 0 "[ . 1 . 2]" 2
382 1 45 LEU H 1 45 LEU HB3 . . 3.920 3.642 3.584 3.771 . 0 0 "[ . 1 . 2]" 2
383 1 45 LEU HB3 1 45 LEU MD1 . . 3.150 2.389 1.980 2.514 . 0 0 "[ . 1 . 2]" 2
384 1 10 ILE HA 1 10 ILE MD . . 4.180 3.595 1.969 4.170 . 0 0 "[ . 1 . 2]" 2
385 1 13 ASN HB3 1 36 ASN HD21 . . 4.680 3.777 2.773 4.686 0.006 11 0 "[ . 1 . 2]" 2
386 1 9 LYS QB 1 11 PHE HB2 . . 4.570 3.162 2.622 4.646 0.076 18 0 "[ . 1 . 2]" 2
387 1 9 LYS QB 1 11 PHE HB3 . . 4.570 4.116 2.849 4.600 0.030 9 0 "[ . 1 . 2]" 2
388 1 10 ILE HB 1 10 ILE MD . . 3.280 2.431 2.130 3.226 . 0 0 "[ . 1 . 2]" 2
389 1 16 GLU HG2 1 36 ASN H . . 4.600 4.247 3.837 4.440 . 0 0 "[ . 1 . 2]" 2
390 1 44 PRO HA 1 49 CYS H . . 5.030 4.331 3.575 5.005 . 0 0 "[ . 1 . 2]" 2
391 1 44 PRO HA 1 49 CYS HA . . 5.240 4.665 4.152 5.091 . 0 0 "[ . 1 . 2]" 2
392 1 44 PRO HA 1 49 CYS QB . . 3.220 2.542 2.009 2.847 . 0 0 "[ . 1 . 2]" 2
393 1 24 GLU HG2 1 38 CYS HA . . 3.780 2.819 1.986 3.479 . 0 0 "[ . 1 . 2]" 2
394 1 24 GLU HG2 1 38 CYS HB2 . . 4.490 2.941 2.369 3.542 . 0 0 "[ . 1 . 2]" 2
395 1 24 GLU HG2 1 38 CYS HB3 . . 4.730 3.699 3.159 4.148 . 0 0 "[ . 1 . 2]" 2
396 1 24 GLU HG2 1 39 ILE HG13 . . 4.750 3.792 2.972 4.524 . 0 0 "[ . 1 . 2]" 2
397 1 24 GLU HG2 1 28 LEU MD1 . . 4.050 3.252 1.980 3.977 . 0 0 "[ . 1 . 2]" 2
398 1 24 GLU HG3 1 39 ILE H . . 4.360 2.392 1.897 3.110 . 0 0 "[ . 1 . 2]" 2
399 1 24 GLU HG3 1 38 CYS HA . . 3.780 2.550 1.992 3.679 . 0 0 "[ . 1 . 2]" 2
400 1 31 GLU HG3 1 32 ARG HG3 . . 4.950 2.862 1.998 4.911 . 0 0 "[ . 1 . 2]" 2
401 1 24 GLU HG3 1 39 ILE HG13 . . 4.750 2.966 2.485 3.400 . 0 0 "[ . 1 . 2]" 2
402 1 24 GLU HG3 1 28 LEU MD1 . . 4.050 2.412 1.956 3.183 . 0 0 "[ . 1 . 2]" 2
403 1 31 GLU HA 1 31 GLU HG3 . . 4.120 3.656 2.694 4.175 0.055 16 0 "[ . 1 . 2]" 2
404 1 31 GLU HG3 1 32 ARG HG2 . . 4.950 3.832 2.261 4.943 . 0 0 "[ . 1 . 2]" 2
405 1 39 ILE HA 1 42 ARG HB2 . . 3.950 2.514 2.433 2.657 . 0 0 "[ . 1 . 2]" 2
406 1 39 ILE HA 1 42 ARG HB3 . . 3.060 2.260 2.194 2.466 . 0 0 "[ . 1 . 2]" 2
407 1 39 ILE HA 1 39 ILE HG13 . . 3.610 2.790 2.672 2.896 . 0 0 "[ . 1 . 2]" 2
408 1 39 ILE HA 1 39 ILE HG12 . . 3.590 2.478 2.415 2.515 . 0 0 "[ . 1 . 2]" 2
409 1 39 ILE HA 1 39 ILE MG . . 3.040 2.537 2.507 2.591 . 0 0 "[ . 1 . 2]" 2
410 1 47 HIS HD2 1 49 CYS HA . . 3.320 2.538 2.152 2.913 . 0 0 "[ . 1 . 2]" 2
411 1 22 GLN HG2 1 40 LYS QE . . 4.430 2.832 2.317 3.089 . 0 0 "[ . 1 . 2]" 2
412 1 22 GLN HG2 1 38 CYS HB2 . . 4.860 3.934 3.501 4.807 . 0 0 "[ . 1 . 2]" 2
413 1 22 GLN H 1 22 GLN HG3 . . 4.180 4.145 4.079 4.207 0.027 16 0 "[ . 1 . 2]" 2
414 1 22 GLN HG3 1 40 LYS QE . . 4.430 2.486 1.847 3.160 . 0 0 "[ . 1 . 2]" 2
415 1 26 MET H 1 26 MET HB2 . . 4.060 3.686 3.648 3.751 . 0 0 "[ . 1 . 2]" 2
416 1 26 MET HB2 1 28 LEU MD2 . . 4.680 4.499 4.282 4.681 0.001 2 0 "[ . 1 . 2]" 2
417 1 26 MET HB3 1 27 LYS H . . 4.470 3.946 3.608 4.273 . 0 0 "[ . 1 . 2]" 2
418 1 14 LYS QB 1 14 LYS QE . . 4.470 3.044 1.986 3.789 . 0 0 "[ . 1 . 2]" 2
419 1 29 THR MG 1 34 SER HB2 . . 4.490 3.895 2.859 4.417 . 0 0 "[ . 1 . 2]" 2
420 1 29 THR MG 1 34 SER HB3 . . 4.490 3.351 2.725 4.025 . 0 0 "[ . 1 . 2]" 2
421 1 17 ARG HB2 1 41 HIS HB3 . . 4.510 3.198 2.848 3.361 . 0 0 "[ . 1 . 2]" 2
422 1 38 CYS H 1 41 HIS HB3 . . 4.620 4.215 4.005 4.429 . 0 0 "[ . 1 . 2]" 2
423 1 41 HIS HB2 1 47 HIS HB3 . . 4.600 3.911 3.488 4.092 . 0 0 "[ . 1 . 2]" 2
424 1 33 CYS HB2 1 51 GLY QA . . 4.630 4.018 3.006 4.605 . 0 0 "[ . 1 . 2]" 2
425 1 33 CYS HB2 1 35 ARG HG3 . . 4.250 2.607 2.389 2.890 . 0 0 "[ . 1 . 2]" 2
426 1 33 CYS HB2 1 35 ARG HG2 . . 4.700 4.327 4.096 4.590 . 0 0 "[ . 1 . 2]" 2
427 1 38 CYS H 1 41 HIS HB2 . . 4.510 2.610 2.430 2.775 . 0 0 "[ . 1 . 2]" 2
428 1 32 ARG HB3 1 33 CYS HB3 . . 5.150 4.451 4.167 4.728 . 0 0 "[ . 1 . 2]" 2
429 1 33 CYS HB3 1 35 ARG HG3 . . 5.460 4.304 4.074 4.603 . 0 0 "[ . 1 . 2]" 2
430 1 25 MET HB2 1 26 MET H . . 4.570 3.064 2.650 3.850 . 0 0 "[ . 1 . 2]" 2
431 1 25 MET HB3 1 26 MET H . . 4.570 3.455 2.594 4.106 . 0 0 "[ . 1 . 2]" 2
432 1 27 LYS HB3 1 28 LEU H . . 4.700 4.141 3.824 4.416 . 0 0 "[ . 1 . 2]" 2
433 1 27 LYS HB2 1 28 LEU H . . 4.700 4.297 4.064 4.514 . 0 0 "[ . 1 . 2]" 2
434 1 27 LYS H 1 27 LYS HB2 . . 3.920 2.601 2.177 3.009 . 0 0 "[ . 1 . 2]" 2
435 1 27 LYS HB2 1 27 LYS QE . . 4.460 3.037 2.027 4.193 . 0 0 "[ . 1 . 2]" 2
436 1 12 THR HA 1 12 THR MG . . 3.140 2.273 2.170 2.396 . 0 0 "[ . 1 . 2]" 2
437 1 44 PRO HB2 1 45 LEU H . . 4.630 4.004 3.866 4.090 . 0 0 "[ . 1 . 2]" 2
438 1 44 PRO HB2 1 49 CYS QB . . 3.500 2.989 2.459 3.280 . 0 0 "[ . 1 . 2]" 2
439 1 35 ARG HB2 1 36 ASN H . . 3.960 3.927 3.814 3.978 0.018 9 0 "[ . 1 . 2]" 2
440 1 35 ARG HB2 1 37 PHE HZ . . 4.060 2.133 1.999 2.263 . 0 0 "[ . 1 . 2]" 2
441 1 44 PRO HB3 1 45 LEU H . . 4.630 4.526 4.449 4.572 . 0 0 "[ . 1 . 2]" 2
442 1 44 PRO HB3 1 49 CYS QB . . 3.500 3.095 2.330 3.379 . 0 0 "[ . 1 . 2]" 2
443 1 40 LYS HB2 1 40 LYS QD . . 3.740 2.559 2.493 2.673 . 0 0 "[ . 1 . 2]" 2
444 1 39 ILE MG 1 40 LYS HB2 . . 4.780 4.696 4.615 4.768 . 0 0 "[ . 1 . 2]" 2
445 1 40 LYS H 1 40 LYS HB3 . . 3.540 3.503 3.487 3.544 0.004 17 0 "[ . 1 . 2]" 2
446 1 40 LYS HB3 1 40 LYS QD . . 3.730 3.472 3.450 3.501 . 0 0 "[ . 1 . 2]" 2
447 1 35 ARG HB3 1 37 PHE HZ . . 4.290 2.698 2.581 2.788 . 0 0 "[ . 1 . 2]" 2
448 1 16 GLU HG3 1 35 ARG HB3 . . 4.490 3.580 3.296 3.812 . 0 0 "[ . 1 . 2]" 2
449 1 24 GLU HB3 1 38 CYS HA . . 4.570 4.367 3.959 4.579 0.009 16 0 "[ . 1 . 2]" 2
450 1 24 GLU HB3 1 28 LEU MD1 . . 4.640 2.703 2.489 3.027 . 0 0 "[ . 1 . 2]" 2
451 1 24 GLU HB2 1 26 MET H . . 4.490 4.330 3.931 4.488 . 0 0 "[ . 1 . 2]" 2
452 1 24 GLU HB2 1 38 CYS HA . . 4.310 3.437 3.081 3.969 . 0 0 "[ . 1 . 2]" 2
453 1 24 GLU HB2 1 28 LEU MD1 . . 4.650 3.093 2.626 3.535 . 0 0 "[ . 1 . 2]" 2
454 1 14 LYS HA 1 23 ARG QB . . 4.840 4.632 4.266 4.857 0.017 17 0 "[ . 1 . 2]" 2
455 1 10 ILE HA 1 10 ILE HG12 . . 3.970 3.444 2.655 4.193 0.223 18 0 "[ . 1 . 2]" 2
456 1 10 ILE HA 1 10 ILE HG13 . . 3.970 3.379 2.410 3.853 . 0 0 "[ . 1 . 2]" 2
457 1 10 ILE HA 1 10 ILE MG . . 3.080 2.326 2.109 2.447 . 0 0 "[ . 1 . 2]" 2
458 1 30 CYS HB3 1 37 PHE HE2 . . 4.420 3.049 2.817 3.189 . 0 0 "[ . 1 . 2]" 2
459 1 30 CYS HB3 1 37 PHE HZ . . 5.360 5.211 4.952 5.354 . 0 0 "[ . 1 . 2]" 2
460 1 15 CYS HB3 1 38 CYS H . . 4.400 4.285 4.104 4.422 0.022 14 0 "[ . 1 . 2]" 2
461 1 14 LYS HA 1 15 CYS HB3 . . 4.850 4.684 4.535 4.904 0.054 10 0 "[ . 1 . 2]" 2
462 1 15 CYS HB3 1 38 CYS HB3 . . 4.100 3.764 3.500 4.050 . 0 0 "[ . 1 . 2]" 2
463 1 15 CYS HB3 1 20 CYS HB3 . . 4.260 3.039 2.365 3.342 . 0 0 "[ . 1 . 2]" 2
464 1 30 CYS HB2 1 33 CYS H . . 4.160 4.055 3.951 4.125 . 0 0 "[ . 1 . 2]" 2
465 1 30 CYS HB2 1 35 ARG H . . 3.470 2.807 2.531 2.990 . 0 0 "[ . 1 . 2]" 2
466 1 30 CYS HB2 1 37 PHE HD2 . . 4.810 2.520 2.431 2.675 . 0 0 "[ . 1 . 2]" 2
467 1 30 CYS HB2 1 37 PHE HE2 . . 4.960 2.127 2.003 2.305 . 0 0 "[ . 1 . 2]" 2
468 1 30 CYS HB2 1 37 PHE HZ . . 4.770 4.546 4.440 4.758 . 0 0 "[ . 1 . 2]" 2
469 1 30 CYS HB2 1 35 ARG HB2 . . 4.650 3.756 3.486 3.956 . 0 0 "[ . 1 . 2]" 2
470 1 15 CYS HB2 1 20 CYS HB3 . . 4.730 4.422 3.824 4.702 . 0 0 "[ . 1 . 2]" 2
471 1 26 MET HG3 1 28 LEU HG . . 4.440 2.432 2.013 3.521 . 0 0 "[ . 1 . 2]" 2
472 1 26 MET HG3 1 28 LEU MD1 . . 3.920 3.081 2.708 3.806 . 0 0 "[ . 1 . 2]" 2
473 1 26 MET HG2 1 28 LEU HG . . 4.440 3.387 2.486 3.909 . 0 0 "[ . 1 . 2]" 2
474 1 26 MET HG2 1 28 LEU MD1 . . 3.920 3.126 2.593 3.554 . 0 0 "[ . 1 . 2]" 2
475 1 32 ARG H 1 32 ARG HB3 . . 3.800 3.634 3.573 3.709 . 0 0 "[ . 1 . 2]" 2
476 1 15 CYS HA 1 37 PHE HA . . 3.240 2.243 2.033 2.406 . 0 0 "[ . 1 . 2]" 2
477 1 15 CYS HA 1 38 CYS HB3 . . 4.650 4.316 4.183 4.460 . 0 0 "[ . 1 . 2]" 2
478 1 15 CYS HA 1 16 GLU HG3 . . 4.260 4.022 3.776 4.281 0.021 10 0 "[ . 1 . 2]" 2
479 1 15 CYS HA 1 16 GLU HB2 . . 4.640 4.587 4.483 4.643 0.003 20 0 "[ . 1 . 2]" 2
480 1 37 PHE HB3 1 42 ARG HA . . 3.450 3.213 3.114 3.343 . 0 0 "[ . 1 . 2]" 2
481 1 37 PHE HB2 1 42 ARG HA . . 3.150 2.287 2.217 2.368 . 0 0 "[ . 1 . 2]" 2
482 1 17 ARG H 1 20 CYS HB2 . . 4.910 4.495 4.180 4.864 . 0 0 "[ . 1 . 2]" 2
483 1 20 CYS HB2 1 21 ARG H . . 5.250 4.191 3.387 4.557 . 0 0 "[ . 1 . 2]" 2
484 1 17 ARG HB3 1 20 CYS HB2 . . 3.800 2.378 1.993 2.835 . 0 0 "[ . 1 . 2]" 2
485 1 17 ARG HB2 1 20 CYS HB2 . . 4.410 3.989 3.437 4.269 . 0 0 "[ . 1 . 2]" 2
486 1 20 CYS HB3 1 41 HIS HE1 . . 4.060 3.818 3.517 4.039 . 0 0 "[ . 1 . 2]" 2
487 1 17 ARG HB3 1 20 CYS HB3 . . 3.710 2.207 1.996 2.557 . 0 0 "[ . 1 . 2]" 2
488 1 17 ARG HB2 1 20 CYS HB3 . . 4.310 3.736 3.396 4.153 . 0 0 "[ . 1 . 2]" 2
489 1 17 ARG HB3 1 41 HIS HB3 . . 4.600 4.361 4.054 4.599 . 0 0 "[ . 1 . 2]" 2
490 1 17 ARG HB2 1 41 HIS HB2 . . 4.630 3.207 2.855 3.519 . 0 0 "[ . 1 . 2]" 2
491 1 15 CYS HB3 1 17 ARG HB2 . . 4.870 4.615 4.291 4.873 0.003 7 0 "[ . 1 . 2]" 2
492 1 15 CYS HB2 1 38 CYS HB2 . . 4.280 4.043 3.869 4.224 . 0 0 "[ . 1 . 2]" 2
493 1 22 GLN HG3 1 38 CYS HB2 . . 4.860 3.390 2.353 4.506 . 0 0 "[ . 1 . 2]" 2
494 1 24 GLU HG3 1 38 CYS HB2 . . 4.490 3.340 2.912 3.756 . 0 0 "[ . 1 . 2]" 2
495 1 22 GLN HB3 1 38 CYS HB2 . . 4.120 2.715 2.322 3.235 . 0 0 "[ . 1 . 2]" 2
496 1 15 CYS HB2 1 38 CYS HB3 . . 3.420 2.288 2.116 2.472 . 0 0 "[ . 1 . 2]" 2
497 1 22 GLN HB3 1 38 CYS HB3 . . 3.940 2.513 2.069 2.990 . 0 0 "[ . 1 . 2]" 2
498 1 38 CYS HB3 1 40 LYS H . . 4.670 4.427 4.240 4.512 . 0 0 "[ . 1 . 2]" 2
499 1 24 GLU HG3 1 38 CYS HB3 . . 4.730 4.148 3.632 4.756 0.026 7 0 "[ . 1 . 2]" 2
500 1 49 CYS H 1 49 CYS QB . . 3.610 2.281 2.219 2.406 . 0 0 "[ . 1 . 2]" 2
501 1 21 ARG HB3 1 21 ARG QD . . 3.700 2.521 2.085 3.262 . 0 0 "[ . 1 . 2]" 2
502 1 31 GLU HA 1 34 SER H . . 4.560 4.141 3.998 4.217 . 0 0 "[ . 1 . 2]" 2
503 1 31 GLU HA 1 31 GLU HG2 . . 4.120 3.757 3.567 3.966 . 0 0 "[ . 1 . 2]" 2
504 1 29 THR MG 1 31 GLU HA . . 4.750 4.545 4.260 4.704 . 0 0 "[ . 1 . 2]" 2
505 1 40 LYS HA 1 40 LYS HG2 . . 3.660 3.494 3.462 3.531 . 0 0 "[ . 1 . 2]" 2
506 1 40 LYS HA 1 40 LYS HG3 . . 3.660 2.194 2.163 2.233 . 0 0 "[ . 1 . 2]" 2
507 1 22 GLN HB2 1 38 CYS HB2 . . 4.410 3.276 3.066 3.560 . 0 0 "[ . 1 . 2]" 2
508 1 22 GLN HB2 1 38 CYS HB3 . . 4.130 2.334 2.032 2.821 . 0 0 "[ . 1 . 2]" 2
509 1 28 LEU HB2 1 42 ARG HB2 . . 4.710 3.737 3.558 3.798 . 0 0 "[ . 1 . 2]" 2
510 1 28 LEU MD1 1 42 ARG HB3 . . 4.290 3.868 3.692 3.985 . 0 0 "[ . 1 . 2]" 2
511 1 32 ARG HA 1 32 ARG HD2 . . 4.830 4.679 3.840 4.840 0.010 5 0 "[ . 1 . 2]" 2
512 1 32 ARG HA 1 32 ARG HD3 . . 4.830 4.548 4.447 4.802 . 0 0 "[ . 1 . 2]" 2
513 1 32 ARG HA 1 32 ARG HG2 . . 3.690 2.555 2.316 2.883 . 0 0 "[ . 1 . 2]" 2
514 1 16 GLU HA 1 16 GLU HG3 . . 3.540 3.384 3.267 3.466 . 0 0 "[ . 1 . 2]" 2
515 1 16 GLU HA 1 16 GLU HG2 . . 3.120 2.382 2.277 2.449 . 0 0 "[ . 1 . 2]" 2
516 1 39 ILE HG12 1 42 ARG HB3 . . 4.490 4.396 4.312 4.498 0.008 10 0 "[ . 1 . 2]" 2
517 1 40 LYS H 1 40 LYS QD . . 4.250 2.228 1.955 2.393 . 0 0 "[ . 1 . 2]" 2
518 1 27 LYS HA 1 27 LYS QD . . 4.390 3.880 2.462 4.265 . 0 0 "[ . 1 . 2]" 2
519 1 40 LYS HA 1 40 LYS QD . . 4.170 3.040 2.870 3.160 . 0 0 "[ . 1 . 2]" 2
520 1 22 GLN HA 1 23 ARG QB . . 4.710 4.228 4.046 4.405 . 0 0 "[ . 1 . 2]" 2
521 1 16 GLU H 1 16 GLU HB3 . . 3.810 3.657 3.573 3.727 . 0 0 "[ . 1 . 2]" 2
522 1 16 GLU HB3 1 35 ARG QD . . 4.200 3.284 3.061 3.622 . 0 0 "[ . 1 . 2]" 2
523 1 16 GLU HB3 1 35 ARG HB3 . . 4.230 3.701 3.519 3.935 . 0 0 "[ . 1 . 2]" 2
524 1 16 GLU HB2 1 35 ARG HB2 . . 4.320 4.223 4.040 4.331 0.011 10 0 "[ . 1 . 2]" 2
525 1 16 GLU HB2 1 35 ARG HB3 . . 4.110 2.951 2.729 3.158 . 0 0 "[ . 1 . 2]" 2
526 1 17 ARG HA 1 17 ARG HD3 . . 4.270 3.560 3.171 4.137 . 0 0 "[ . 1 . 2]" 2
527 1 25 MET HA 1 25 MET HG2 . . 4.030 3.062 2.257 4.155 0.125 16 0 "[ . 1 . 2]" 2
528 1 25 MET HA 1 25 MET HG3 . . 4.030 3.022 2.307 3.829 . 0 0 "[ . 1 . 2]" 2
529 1 41 HIS HB3 1 47 HIS HB2 . . 4.310 2.866 2.573 3.299 . 0 0 "[ . 1 . 2]" 2
530 1 41 HIS HB2 1 47 HIS HB2 . . 4.620 4.503 4.294 4.651 0.031 17 0 "[ . 1 . 2]" 2
531 1 41 HIS HB3 1 47 HIS HB3 . . 4.130 2.230 1.979 2.432 . 0 0 "[ . 1 . 2]" 2
532 1 51 GLY QA 1 52 GLU HA . . 4.710 4.120 3.934 4.407 . 0 0 "[ . 1 . 2]" 2
533 1 52 GLU HA 1 52 GLU QG . . 3.530 2.698 2.185 3.445 . 0 0 "[ . 1 . 2]" 2
534 1 27 LYS HA 1 28 LEU H . . 2.940 2.154 2.141 2.184 . 0 0 "[ . 1 . 2]" 2
535 1 27 LYS HA 1 36 ASN HD22 . . 5.500 3.478 2.560 4.262 . 0 0 "[ . 1 . 2]" 2
536 1 13 ASN HB3 1 27 LYS HA . . 4.950 3.772 2.224 4.640 . 0 0 "[ . 1 . 2]" 2
537 1 27 LYS HA 1 27 LYS HG2 . . 3.820 3.125 2.287 3.625 . 0 0 "[ . 1 . 2]" 2
538 1 27 LYS HA 1 27 LYS HG3 . . 3.820 2.559 2.255 3.497 . 0 0 "[ . 1 . 2]" 2
539 1 43 HIS HA 1 44 PRO HG3 . . 4.500 4.380 4.371 4.385 . 0 0 "[ . 1 . 2]" 2
540 1 32 ARG HD3 1 44 PRO HG3 . . 5.280 4.071 3.122 4.820 . 0 0 "[ . 1 . 2]" 2
541 1 43 HIS HA 1 44 PRO HG2 . . 4.500 4.373 4.358 4.383 . 0 0 "[ . 1 . 2]" 2
542 1 32 ARG HD2 1 44 PRO HG2 . . 5.280 4.416 3.423 5.273 . 0 0 "[ . 1 . 2]" 2
543 1 32 ARG HD3 1 44 PRO HG2 . . 5.280 4.808 3.815 5.270 . 0 0 "[ . 1 . 2]" 2
544 1 14 LYS HA 1 14 LYS HG2 . . 4.180 3.143 2.391 4.215 0.035 10 0 "[ . 1 . 2]" 2
545 1 45 LEU H 1 45 LEU HG . . 3.570 3.058 2.606 3.487 . 0 0 "[ . 1 . 2]" 2
546 1 45 LEU HA 1 45 LEU HG . . 3.860 3.019 2.880 3.812 . 0 0 "[ . 1 . 2]" 2
547 1 21 ARG HA 1 21 ARG HG3 . . 3.930 3.468 2.161 3.906 . 0 0 "[ . 1 . 2]" 2
548 1 31 GLU HG2 1 32 ARG HG3 . . 4.950 3.023 1.991 4.016 . 0 0 "[ . 1 . 2]" 2
549 1 32 ARG HA 1 32 ARG HG3 . . 3.690 2.979 2.548 3.523 . 0 0 "[ . 1 . 2]" 2
550 1 21 ARG HA 1 21 ARG HG2 . . 3.930 3.225 2.253 3.888 . 0 0 "[ . 1 . 2]" 2
551 1 31 GLU HG2 1 32 ARG HG2 . . 4.950 4.315 3.296 4.976 0.026 19 0 "[ . 1 . 2]" 2
552 1 17 ARG H 1 17 ARG HG3 . . 4.680 4.479 4.282 4.678 . 0 0 "[ . 1 . 2]" 2
553 1 17 ARG HA 1 17 ARG HG3 . . 4.200 3.107 2.725 3.543 . 0 0 "[ . 1 . 2]" 2
554 1 17 ARG HA 1 17 ARG HG2 . . 4.200 3.153 2.158 3.864 . 0 0 "[ . 1 . 2]" 2
555 1 35 ARG HA 1 35 ARG HG3 . . 3.750 3.105 2.845 3.250 . 0 0 "[ . 1 . 2]" 2
556 1 35 ARG HA 1 35 ARG HG2 . . 3.490 2.360 2.281 2.564 . 0 0 "[ . 1 . 2]" 2
557 1 39 ILE HA 1 42 ARG HG3 . . 4.720 4.448 4.324 4.727 0.007 12 0 "[ . 1 . 2]" 2
558 1 42 ARG H 1 42 ARG HG3 . . 4.530 4.096 4.019 4.136 . 0 0 "[ . 1 . 2]" 2
559 1 28 LEU MD2 1 42 ARG HG3 . . 4.530 4.293 3.821 4.527 . 0 0 "[ . 1 . 2]" 2
560 1 39 ILE HA 1 42 ARG HG2 . . 4.720 3.423 3.310 3.677 . 0 0 "[ . 1 . 2]" 2
561 1 28 LEU MD2 1 42 ARG HG2 . . 4.530 2.928 2.342 3.382 . 0 0 "[ . 1 . 2]" 2
562 1 28 LEU MD1 1 39 ILE H . . 4.190 2.591 2.284 3.208 . 0 0 "[ . 1 . 2]" 2
563 1 28 LEU HA 1 28 LEU MD1 . . 4.390 3.911 3.891 3.945 . 0 0 "[ . 1 . 2]" 2
564 1 28 LEU MD1 1 42 ARG HB2 . . 3.900 2.767 2.662 2.858 . 0 0 "[ . 1 . 2]" 2
565 1 28 LEU MD1 1 38 CYS HA . . 4.430 2.763 2.498 2.951 . 0 0 "[ . 1 . 2]" 2
566 1 28 LEU MD1 1 39 ILE HA . . 3.400 2.730 2.524 2.920 . 0 0 "[ . 1 . 2]" 2
567 1 28 LEU MD1 1 42 ARG HD2 . . 4.430 4.286 3.934 4.431 0.001 1 0 "[ . 1 . 2]" 2
568 1 26 MET ME 1 28 LEU MD1 . . 4.040 3.091 2.022 3.867 . 0 0 "[ . 1 . 2]" 2
569 1 45 LEU H 1 45 LEU MD1 . . 4.420 3.944 3.740 4.100 . 0 0 "[ . 1 . 2]" 2
570 1 45 LEU HA 1 45 LEU MD1 . . 3.900 3.799 2.710 3.902 0.002 13 0 "[ . 1 . 2]" 2
571 1 40 LYS H 1 40 LYS HG2 . . 4.280 4.185 4.082 4.290 0.010 10 0 "[ . 1 . 2]" 2
572 1 14 LYS QE 1 14 LYS HG3 . . 3.870 2.701 2.166 3.427 . 0 0 "[ . 1 . 2]" 2
573 1 14 LYS HA 1 14 LYS HG3 . . 4.180 3.241 2.741 4.204 0.024 17 0 "[ . 1 . 2]" 2
574 1 14 LYS HG2 1 15 CYS H . . 4.680 3.361 1.888 4.690 0.010 9 0 "[ . 1 . 2]" 2
575 1 28 LEU MD2 1 29 THR H . . 4.230 4.036 3.847 4.224 . 0 0 "[ . 1 . 2]" 2
576 1 28 LEU HA 1 28 LEU MD2 . . 3.090 2.388 2.266 2.590 . 0 0 "[ . 1 . 2]" 2
577 1 28 LEU MD2 1 39 ILE HA . . 4.380 3.808 3.400 4.195 . 0 0 "[ . 1 . 2]" 2
578 1 26 MET HG3 1 28 LEU MD2 . . 3.940 2.945 2.693 3.307 . 0 0 "[ . 1 . 2]" 2
579 1 26 MET HG2 1 28 LEU MD2 . . 3.940 3.784 3.228 3.942 0.002 13 0 "[ . 1 . 2]" 2
580 1 28 LEU HB2 1 28 LEU MD2 . . 3.570 3.140 3.116 3.159 . 0 0 "[ . 1 . 2]" 2
581 1 26 MET ME 1 28 LEU MD2 . . 3.740 2.559 1.741 3.650 . 0 0 "[ . 1 . 2]" 2
582 1 28 LEU MD2 1 42 ARG HB2 . . 3.660 3.382 2.955 3.640 . 0 0 "[ . 1 . 2]" 2
583 1 28 LEU MD2 1 42 ARG HB3 . . 4.480 4.253 3.807 4.486 0.006 11 0 "[ . 1 . 2]" 2
584 1 45 LEU H 1 45 LEU MD2 . . 4.350 3.805 1.839 4.024 . 0 0 "[ . 1 . 2]" 2
585 1 43 HIS HE1 1 45 LEU MD2 . . 4.480 4.025 2.505 4.373 . 0 0 "[ . 1 . 2]" 2
586 1 45 LEU HA 1 45 LEU MD2 . . 2.740 2.089 1.939 2.235 . 0 0 "[ . 1 . 2]" 2
587 1 54 HIS HA 1 55 PRO HD3 . . 3.740 2.295 2.252 2.415 . 0 0 "[ . 1 . 2]" 2
588 1 54 HIS HA 1 55 PRO HD2 . . 3.740 2.177 1.924 2.408 . 0 0 "[ . 1 . 2]" 2
589 1 29 THR H 1 29 THR MG . . 4.210 3.843 3.801 3.894 . 0 0 "[ . 1 . 2]" 2
590 1 29 THR MG 1 36 ASN H . . 4.470 3.595 3.244 3.804 . 0 0 "[ . 1 . 2]" 2
591 1 29 THR MG 1 34 SER H . . 4.000 3.782 3.652 3.977 . 0 0 "[ . 1 . 2]" 2
592 1 29 THR MG 1 36 ASN HA . . 4.340 3.468 3.093 3.809 . 0 0 "[ . 1 . 2]" 2
593 1 29 THR MG 1 34 SER HA . . 3.050 2.071 1.934 2.315 . 0 0 "[ . 1 . 2]" 2
594 1 56 THR HA 1 56 THR MG . . 3.720 2.547 2.199 3.205 . 0 0 "[ . 1 . 2]" 2
595 1 12 THR MG 1 25 MET HA . . 3.680 2.440 1.860 3.015 . 0 0 "[ . 1 . 2]" 2
596 1 12 THR MG 1 23 ARG QB . . 3.800 3.267 2.153 3.779 . 0 0 "[ . 1 . 2]" 2
597 1 12 THR MG 1 25 MET HG3 . . 4.730 3.846 2.393 4.734 0.004 20 0 "[ . 1 . 2]" 2
598 1 43 HIS QB 1 44 PRO HD3 . . 4.270 4.163 4.143 4.185 . 0 0 "[ . 1 . 2]" 2
599 1 43 HIS HA 1 44 PRO HD3 . . 3.090 2.255 2.253 2.256 . 0 0 "[ . 1 . 2]" 2
600 1 43 HIS HA 1 44 PRO HD2 . . 3.600 2.227 2.209 2.240 . 0 0 "[ . 1 . 2]" 2
601 1 43 HIS QB 1 44 PRO HD2 . . 4.580 3.262 3.222 3.303 . 0 0 "[ . 1 . 2]" 2
602 1 28 LEU HB3 1 28 LEU MD2 . . 3.220 2.184 2.020 2.252 . 0 0 "[ . 1 . 2]" 2
603 1 9 LYS QB 1 11 PHE QD . . 4.720 2.407 2.013 2.919 . 0 0 "[ . 1 . 2]" 2
604 1 9 LYS QB 1 11 PHE QE . . 4.680 4.019 2.583 4.645 . 0 0 "[ . 1 . 2]" 2
605 1 28 LEU MD1 1 39 ILE HG13 . . 3.140 2.135 1.961 2.548 . 0 0 "[ . 1 . 2]" 2
606 1 28 LEU MD1 1 39 ILE HB . . 4.280 3.992 3.771 4.293 0.013 12 0 "[ . 1 . 2]" 2
607 1 28 LEU HB3 1 28 LEU MD1 . . 3.440 2.603 2.522 2.686 . 0 0 "[ . 1 . 2]" 2
608 1 39 ILE HG13 1 39 ILE MG . . 3.450 3.200 3.197 3.203 . 0 0 "[ . 1 . 2]" 2
609 1 39 ILE MG 1 40 LYS QD . . 3.880 3.153 3.040 3.246 . 0 0 "[ . 1 . 2]" 2
610 1 39 ILE HG12 1 39 ILE MG . . 3.050 2.334 2.301 2.385 . 0 0 "[ . 1 . 2]" 2
611 1 44 PRO HA 1 47 HIS HD2 . . 4.910 4.321 4.050 4.869 . 0 0 "[ . 1 . 2]" 2
612 1 41 HIS HD2 1 46 ASP HB3 . . 3.790 2.586 2.238 3.259 . 0 0 "[ . 1 . 2]" 2
613 1 40 LYS HB3 1 41 HIS HD2 . . 4.810 3.519 2.928 3.787 . 0 0 "[ . 1 . 2]" 2
614 1 9 LYS HA 1 9 LYS HG2 . . 3.940 3.034 2.218 3.625 . 0 0 "[ . 1 . 2]" 2
615 1 9 LYS HA 1 9 LYS HG3 . . 3.940 2.920 2.201 3.872 . 0 0 "[ . 1 . 2]" 2
616 1 10 ILE HG13 1 10 ILE MG . . 3.340 2.941 2.279 3.199 . 0 0 "[ . 1 . 2]" 2
617 1 28 LEU MD1 1 39 ILE HG12 . . 3.960 2.608 2.349 3.033 . 0 0 "[ . 1 . 2]" 2
618 1 16 GLU HB3 1 37 PHE HZ . . 5.250 4.342 4.117 4.553 . 0 0 "[ . 1 . 2]" 2
619 1 16 GLU HB2 1 37 PHE HZ . . 5.020 3.513 3.363 3.684 . 0 0 "[ . 1 . 2]" 2
620 1 16 GLU HB2 1 17 ARG H . . 4.990 3.947 3.231 4.125 . 0 0 "[ . 1 . 2]" 2
621 1 16 GLU HB3 1 36 ASN H . . 5.120 4.791 4.638 5.072 . 0 0 "[ . 1 . 2]" 2
622 1 24 GLU HG3 1 26 MET H . . 5.500 5.114 4.845 5.241 . 0 0 "[ . 1 . 2]" 2
623 1 24 GLU HG2 1 26 MET H . . 5.500 5.450 5.305 5.504 0.004 11 0 "[ . 1 . 2]" 2
624 1 33 CYS HB3 1 35 ARG H . . 5.210 4.981 4.768 5.215 0.005 7 0 "[ . 1 . 2]" 2
625 1 38 CYS HA 1 39 ILE HB . . 4.880 4.767 4.708 4.899 0.019 10 0 "[ . 1 . 2]" 2
626 1 40 LYS QE 1 41 HIS HE1 . . 5.500 5.493 5.446 5.516 0.016 14 0 "[ . 1 . 2]" 2
627 1 17 ARG HB3 1 41 HIS HE1 . . 4.930 3.506 2.918 3.901 . 0 0 "[ . 1 . 2]" 2
628 1 17 ARG HB2 1 41 HIS HE1 . . 4.590 4.512 4.216 4.611 0.021 17 0 "[ . 1 . 2]" 2
629 1 40 LYS HB3 1 41 HIS HE1 . . 5.190 4.921 4.682 5.098 . 0 0 "[ . 1 . 2]" 2
630 1 37 PHE HD2 1 42 ARG HA . . 4.860 3.602 3.495 3.716 . 0 0 "[ . 1 . 2]" 2
631 1 37 PHE H 1 42 ARG HA . . 4.880 4.786 4.630 4.882 0.002 1 0 "[ . 1 . 2]" 2
632 1 43 HIS QB 1 45 LEU H . . 4.880 2.455 2.416 2.548 . 0 0 "[ . 1 . 2]" 2
633 1 43 HIS HD2 1 44 PRO HD2 . . 5.000 3.550 2.699 3.700 . 0 0 "[ . 1 . 2]" 2
634 1 43 HIS HD2 1 44 PRO HD3 . . 5.150 4.557 3.500 4.795 . 0 0 "[ . 1 . 2]" 2
635 1 45 LEU HB3 1 46 ASP H . . 4.720 3.843 3.645 4.483 . 0 0 "[ . 1 . 2]" 2
636 1 17 ARG HB2 1 47 HIS HB3 . . 5.140 4.720 4.051 5.074 . 0 0 "[ . 1 . 2]" 2
637 1 38 CYS HB2 1 39 ILE HB . . 4.750 4.145 3.937 4.231 . 0 0 "[ . 1 . 2]" 2
638 1 38 CYS HB2 1 39 ILE MG . . 5.500 5.295 5.106 5.389 . 0 0 "[ . 1 . 2]" 2
639 1 38 CYS HB2 1 39 ILE MD . . 5.500 5.224 5.021 5.359 . 0 0 "[ . 1 . 2]" 2
640 1 39 ILE HA 1 42 ARG HD2 . . 5.190 5.007 4.847 5.206 0.016 10 0 "[ . 1 . 2]" 2
641 1 39 ILE HA 1 42 ARG HD3 . . 4.810 4.611 4.364 4.811 0.001 13 0 "[ . 1 . 2]" 2
642 1 31 GLU HG3 1 32 ARG H . . 4.770 3.402 2.632 4.470 . 0 0 "[ . 1 . 2]" 2
643 1 9 LYS HA 1 10 ILE MG . . 5.500 4.563 3.448 5.501 0.001 20 0 "[ . 1 . 2]" 2
644 1 9 LYS HA 1 10 ILE MD . . 5.500 4.772 2.863 5.500 0.000 8 0 "[ . 1 . 2]" 2
645 1 9 LYS QB 1 10 ILE H . . 5.310 3.086 2.208 3.762 . 0 0 "[ . 1 . 2]" 2
646 1 9 LYS QB 1 12 THR H . . 5.500 4.056 2.804 5.509 0.009 9 0 "[ . 1 . 2]" 2
647 1 11 PHE HB2 1 12 THR MG . . 4.980 3.963 2.887 5.009 0.029 5 0 "[ . 1 . 2]" 2
648 1 11 PHE HB3 1 12 THR MG . . 4.980 3.933 2.562 5.000 0.020 5 0 "[ . 1 . 2]" 2
649 1 12 THR MG 1 25 MET HG2 . . 4.730 3.916 2.876 4.699 . 0 0 "[ . 1 . 2]" 2
650 1 13 ASN HB2 1 27 LYS HA . . 4.950 3.559 2.928 4.187 . 0 0 "[ . 1 . 2]" 2
651 1 15 CYS HA 1 16 GLU HG2 . . 4.880 4.567 4.306 4.886 0.006 10 0 "[ . 1 . 2]" 2
652 1 15 CYS HA 1 37 PHE HB2 . . 5.340 5.208 4.982 5.357 0.017 15 0 "[ . 1 . 2]" 2
653 1 15 CYS HA 1 37 PHE HB3 . . 4.910 4.598 4.404 4.763 . 0 0 "[ . 1 . 2]" 2
654 1 15 CYS HB3 1 37 PHE HA . . 4.930 4.235 4.106 4.385 . 0 0 "[ . 1 . 2]" 2
655 1 14 LYS QE 1 16 GLU HA . . 4.820 4.030 3.242 4.830 0.010 7 0 "[ . 1 . 2]" 2
656 1 14 LYS QD 1 16 GLU HA . . 5.500 4.929 3.115 5.522 0.022 19 0 "[ . 1 . 2]" 2
657 1 16 GLU HG2 1 35 ARG HB3 . . 4.920 4.741 4.393 4.930 0.010 19 0 "[ . 1 . 2]" 2
658 1 17 ARG HB3 1 37 PHE HE1 . . 5.500 5.224 4.782 5.452 . 0 0 "[ . 1 . 2]" 2
659 1 17 ARG HB2 1 37 PHE HE1 . . 4.970 3.880 3.507 4.145 . 0 0 "[ . 1 . 2]" 2
660 1 17 ARG HD2 1 18 ALA MB . . 5.500 4.532 3.711 5.505 0.005 19 0 "[ . 1 . 2]" 2
661 1 17 ARG HD3 1 18 ALA MB . . 5.500 4.412 2.895 5.530 0.030 7 0 "[ . 1 . 2]" 2
662 1 18 ALA MB 1 19 GLY HA3 . . 4.770 3.865 3.760 4.060 . 0 0 "[ . 1 . 2]" 2
663 1 20 CYS HB3 1 21 ARG H . . 5.500 3.724 1.905 4.289 . 0 0 "[ . 1 . 2]" 2
664 1 15 CYS H 1 22 GLN HB2 . . 5.500 4.202 3.708 4.763 . 0 0 "[ . 1 . 2]" 2
665 1 22 GLN HB2 1 23 ARG H . . 5.500 4.079 3.816 4.422 . 0 0 "[ . 1 . 2]" 2
666 1 22 GLN HG2 1 40 LYS QD . . 5.100 4.896 4.272 5.154 0.054 19 0 "[ . 1 . 2]" 2
667 1 22 GLN HG3 1 40 LYS QD . . 5.100 4.401 3.799 5.106 0.006 13 0 "[ . 1 . 2]" 2
668 1 23 ARG H 1 23 ARG HG3 . . 4.710 3.513 2.743 4.118 . 0 0 "[ . 1 . 2]" 2
669 1 13 ASN HD21 1 25 MET HA . . 5.150 4.465 3.454 5.081 . 0 0 "[ . 1 . 2]" 2
670 1 24 GLU HB2 1 27 LYS HA . . 5.250 4.827 4.446 5.237 . 0 0 "[ . 1 . 2]" 2
671 1 26 MET HB2 1 27 LYS HA . . 5.500 4.908 4.624 5.233 . 0 0 "[ . 1 . 2]" 2
672 1 27 LYS HA 1 28 LEU HB2 . . 4.750 4.518 4.464 4.659 . 0 0 "[ . 1 . 2]" 2
673 1 26 MET HA 1 27 LYS HB2 . . 5.500 4.424 4.213 4.700 . 0 0 "[ . 1 . 2]" 2
674 1 26 MET HA 1 27 LYS HB3 . . 5.500 4.851 4.522 5.162 . 0 0 "[ . 1 . 2]" 2
675 1 27 LYS H 1 27 LYS QD . . 5.060 4.515 3.771 4.814 . 0 0 "[ . 1 . 2]" 2
676 1 28 LEU HB3 1 42 ARG HB2 . . 4.780 3.051 2.781 3.377 . 0 0 "[ . 1 . 2]" 2
677 1 28 LEU HB3 1 42 ARG HD3 . . 4.770 2.024 1.979 2.116 . 0 0 "[ . 1 . 2]" 2
678 1 28 LEU HB2 1 42 ARG HB3 . . 5.490 5.461 5.273 5.522 0.032 12 0 "[ . 1 . 2]" 2
679 1 28 LEU H 1 28 LEU MD2 . . 4.800 4.217 4.034 4.316 . 0 0 "[ . 1 . 2]" 2
680 1 29 THR MG 1 35 ARG HA . . 4.800 2.833 2.623 2.943 . 0 0 "[ . 1 . 2]" 2
681 1 29 THR MG 1 30 CYS HA . . 5.000 4.140 3.955 4.237 . 0 0 "[ . 1 . 2]" 2
682 1 30 CYS HA 1 35 ARG H . . 5.500 4.439 4.280 4.706 . 0 0 "[ . 1 . 2]" 2
683 1 29 THR MG 1 30 CYS HB3 . . 4.920 3.673 3.514 3.792 . 0 0 "[ . 1 . 2]" 2
684 1 30 CYS HB3 1 35 ARG HB2 . . 4.910 3.927 3.784 4.088 . 0 0 "[ . 1 . 2]" 2
685 1 30 CYS HB3 1 34 SER HA . . 4.860 3.150 2.957 3.342 . 0 0 "[ . 1 . 2]" 2
686 1 32 ARG HG3 1 33 CYS H . . 4.930 4.314 3.993 4.480 . 0 0 "[ . 1 . 2]" 2
687 1 32 ARG HG2 1 33 CYS H . . 4.930 4.864 4.583 4.963 0.033 17 0 "[ . 1 . 2]" 2
688 1 32 ARG H 1 32 ARG HD3 . . 5.330 4.556 4.056 5.115 . 0 0 "[ . 1 . 2]" 2
689 1 33 CYS HB2 1 35 ARG HB2 . . 4.950 3.579 3.374 3.838 . 0 0 "[ . 1 . 2]" 2
690 1 32 ARG HB2 1 33 CYS HB3 . . 5.370 4.152 3.869 4.285 . 0 0 "[ . 1 . 2]" 2
691 1 33 CYS HB3 1 35 ARG HB2 . . 5.500 4.716 4.596 4.789 . 0 0 "[ . 1 . 2]" 2
692 1 34 SER HB3 1 35 ARG H . . 5.240 4.396 4.220 4.614 . 0 0 "[ . 1 . 2]" 2
693 1 34 SER HB2 1 35 ARG H . . 5.240 4.431 4.193 4.636 . 0 0 "[ . 1 . 2]" 2
694 1 35 ARG HG3 1 36 ASN H . . 5.050 4.893 4.697 5.006 . 0 0 "[ . 1 . 2]" 2
695 1 16 GLU HG2 1 36 ASN HB2 . . 4.940 4.691 4.247 4.947 0.007 14 0 "[ . 1 . 2]" 2
696 1 16 GLU HG2 1 36 ASN HB3 . . 4.940 3.333 3.106 3.620 . 0 0 "[ . 1 . 2]" 2
697 1 16 GLU HB2 1 37 PHE HA . . 5.140 4.231 4.024 4.443 . 0 0 "[ . 1 . 2]" 2
698 1 16 GLU HG3 1 37 PHE HA . . 4.930 4.402 4.140 4.620 . 0 0 "[ . 1 . 2]" 2
699 1 37 PHE HA 1 42 ARG HA . . 5.370 5.072 4.962 5.157 . 0 0 "[ . 1 . 2]" 2
700 1 36 ASN HA 1 37 PHE HA . . 5.500 4.465 4.448 4.477 . 0 0 "[ . 1 . 2]" 2
701 1 37 PHE HA 1 38 CYS HA . . 5.500 4.355 4.338 4.373 . 0 0 "[ . 1 . 2]" 2
702 1 37 PHE HB3 1 41 HIS H . . 4.800 4.048 3.911 4.147 . 0 0 "[ . 1 . 2]" 2
703 1 37 PHE HB2 1 42 ARG HB3 . . 5.050 5.009 4.933 5.086 0.036 12 0 "[ . 1 . 2]" 2
704 1 30 CYS HB2 1 37 PHE HB2 . . 5.500 4.689 4.595 4.851 . 0 0 "[ . 1 . 2]" 2
705 1 37 PHE HB2 1 42 ARG HD2 . . 5.500 3.642 3.486 3.918 . 0 0 "[ . 1 . 2]" 2
706 1 38 CYS HA 1 39 ILE HG13 . . 5.230 4.150 4.054 4.285 . 0 0 "[ . 1 . 2]" 2
707 1 38 CYS HB2 1 39 ILE HG13 . . 5.500 4.724 4.529 4.879 . 0 0 "[ . 1 . 2]" 2
708 1 38 CYS HB2 1 40 LYS QD . . 5.500 4.090 3.654 4.355 . 0 0 "[ . 1 . 2]" 2
709 1 38 CYS HA 1 39 ILE HA . . 4.950 4.298 4.295 4.312 . 0 0 "[ . 1 . 2]" 2
710 1 39 ILE HB 1 40 LYS HA . . 5.060 4.463 4.379 4.629 . 0 0 "[ . 1 . 2]" 2
711 1 39 ILE HG12 1 40 LYS H . . 5.270 5.093 5.033 5.215 . 0 0 "[ . 1 . 2]" 2
712 1 40 LYS HA 1 42 ARG HB3 . . 5.500 5.019 4.937 5.074 . 0 0 "[ . 1 . 2]" 2
713 1 37 PHE HB2 1 41 HIS HB3 . . 4.920 4.650 4.376 4.916 . 0 0 "[ . 1 . 2]" 2
714 1 37 PHE HB2 1 41 HIS HB2 . . 5.020 4.135 3.953 4.239 . 0 0 "[ . 1 . 2]" 2
715 1 28 LEU MD1 1 42 ARG HA . . 5.050 4.492 4.300 4.608 . 0 0 "[ . 1 . 2]" 2
716 1 28 LEU MD2 1 42 ARG HA . . 5.500 4.995 4.641 5.289 . 0 0 "[ . 1 . 2]" 2
717 1 37 PHE HB3 1 42 ARG HB2 . . 5.020 4.689 4.620 4.795 . 0 0 "[ . 1 . 2]" 2
718 1 37 PHE HB3 1 42 ARG HB3 . . 5.500 5.512 5.498 5.536 0.036 15 0 "[ . 1 . 2]" 2
719 1 42 ARG HD2 1 43 HIS HA . . 5.150 4.797 4.513 5.129 . 0 0 "[ . 1 . 2]" 2
720 1 42 ARG H 1 42 ARG HD2 . . 5.090 4.660 4.545 4.868 . 0 0 "[ . 1 . 2]" 2
721 1 29 THR HA 1 36 ASN HA . . 5.000 2.313 2.188 2.501 . 0 0 "[ . 1 . 2]" 2
722 1 17 ARG HB2 1 47 HIS HB2 . . 4.620 4.029 3.762 4.284 . 0 0 "[ . 1 . 2]" 2
723 1 17 ARG HD2 1 47 HIS HB3 . . 5.500 4.653 3.188 5.510 0.010 15 0 "[ . 1 . 2]" 2
724 1 17 ARG HD3 1 47 HIS HB3 . . 5.500 4.459 2.497 5.529 0.029 15 0 "[ . 1 . 2]" 2
725 1 8 ARG HA 1 8 ARG QG . . 3.700 2.636 2.146 3.426 . 0 0 "[ . 1 . 2]" 2
726 1 8 ARG HA 1 8 ARG QD . . 4.410 3.750 2.225 4.438 0.028 10 0 "[ . 1 . 2]" 2
727 1 8 ARG QB 1 8 ARG QD . . 3.300 2.216 2.055 2.638 . 0 0 "[ . 1 . 2]" 2
728 1 9 LYS HA 1 9 LYS QG . . 3.440 2.432 2.173 3.327 . 0 0 "[ . 1 . 2]" 2
729 1 9 LYS HA 1 9 LYS QD . . 4.780 3.208 2.005 4.431 . 0 0 "[ . 1 . 2]" 2
730 1 9 LYS HA 1 10 ILE QG . . 4.620 3.764 3.340 4.225 . 0 0 "[ . 1 . 2]" 2
731 1 9 LYS QB 1 11 PHE QB . . 3.870 2.819 2.597 3.100 . 0 0 "[ . 1 . 2]" 2
732 1 9 LYS QE 1 9 LYS QG . . 3.400 2.233 2.031 2.707 . 0 0 "[ . 1 . 2]" 2
733 1 10 ILE HA 1 10 ILE QG . . 3.380 2.983 2.372 3.354 . 0 0 "[ . 1 . 2]" 2
734 1 10 ILE QG 1 10 ILE MG . . 2.920 2.206 1.970 2.421 . 0 0 "[ . 1 . 2]" 2
735 1 11 PHE H 1 11 PHE QB . . 3.620 2.462 2.195 2.794 . 0 0 "[ . 1 . 2]" 2
736 1 12 THR MG 1 25 MET QB . . 4.230 3.745 2.437 4.198 . 0 0 "[ . 1 . 2]" 2
737 1 12 THR MG 1 25 MET QG . . 4.030 3.247 2.372 4.039 0.009 10 0 "[ . 1 . 2]" 2
738 1 13 ASN H 1 13 ASN QD . . 4.240 2.337 1.813 3.107 . 0 0 "[ . 1 . 2]" 2
739 1 13 ASN QB 1 13 ASN QD . . 3.070 2.187 2.070 2.356 . 0 0 "[ . 1 . 2]" 2
740 1 13 ASN QB 1 14 LYS H . . 3.740 2.512 2.137 3.501 . 0 0 "[ . 1 . 2]" 2
741 1 13 ASN QB 1 24 GLU HB2 . . 4.760 3.907 2.978 4.763 0.003 20 0 "[ . 1 . 2]" 2
742 1 13 ASN QB 1 27 LYS HA . . 4.240 3.204 2.187 3.744 . 0 0 "[ . 1 . 2]" 2
743 1 13 ASN QB 1 36 ASN HD21 . . 4.040 3.242 2.710 3.860 . 0 0 "[ . 1 . 2]" 2
744 1 13 ASN QB 1 36 ASN HD22 . . 3.070 2.115 1.806 2.556 . 0 0 "[ . 1 . 2]" 2
745 1 13 ASN QD 1 24 GLU HB2 . . 4.770 3.588 2.118 4.287 . 0 0 "[ . 1 . 2]" 2
746 1 13 ASN QD 1 25 MET HA . . 4.540 4.041 3.222 4.522 . 0 0 "[ . 1 . 2]" 2
747 1 13 ASN QD 1 26 MET H . . 4.370 3.700 3.207 4.210 . 0 0 "[ . 1 . 2]" 2
748 1 13 ASN QD 1 26 MET HA . . 4.020 3.097 2.549 3.694 . 0 0 "[ . 1 . 2]" 2
749 1 13 ASN QD 1 27 LYS H . . 4.490 3.089 2.492 3.753 . 0 0 "[ . 1 . 2]" 2
750 1 13 ASN QD 1 27 LYS HA . . 4.780 2.486 2.158 2.949 . 0 0 "[ . 1 . 2]" 2
751 1 13 ASN QD 1 27 LYS QD . . 4.960 4.453 2.069 4.974 0.014 19 0 "[ . 1 . 2]" 2
752 1 14 LYS H 1 14 LYS QG . . 4.490 3.604 1.953 4.172 . 0 0 "[ . 1 . 2]" 2
753 1 14 LYS HA 1 14 LYS QG . . 3.530 2.798 2.333 3.423 . 0 0 "[ . 1 . 2]" 2
754 1 14 LYS HA 1 23 ARG QG . . 3.620 3.278 2.564 3.621 0.001 20 0 "[ . 1 . 2]" 2
755 1 14 LYS HA 1 23 ARG QD . . 5.340 4.696 2.039 5.346 0.006 16 0 "[ . 1 . 2]" 2
756 1 14 LYS QG 1 15 CYS H . . 4.040 3.014 1.879 4.015 . 0 0 "[ . 1 . 2]" 2
757 1 15 CYS H 1 23 ARG QG . . 5.240 4.430 3.908 4.847 . 0 0 "[ . 1 . 2]" 2
758 1 17 ARG HA 1 17 ARG QG . . 3.690 2.534 2.136 2.990 . 0 0 "[ . 1 . 2]" 2
759 1 17 ARG HA 1 17 ARG QD . . 3.750 2.834 1.980 3.464 . 0 0 "[ . 1 . 2]" 2
760 1 17 ARG QG 1 18 ALA H . . 4.400 2.644 2.031 3.759 . 0 0 "[ . 1 . 2]" 2
761 1 17 ARG QG 1 20 CYS HB2 . . 5.000 3.157 1.941 4.173 . 0 0 "[ . 1 . 2]" 2
762 1 17 ARG QG 1 20 CYS HB3 . . 4.840 3.803 2.879 4.696 . 0 0 "[ . 1 . 2]" 2
763 1 17 ARG QG 1 41 HIS HB3 . . 4.590 3.196 2.085 4.186 . 0 0 "[ . 1 . 2]" 2
764 1 17 ARG QG 1 41 HIS HD2 . . 4.480 4.175 3.723 4.503 0.023 5 0 "[ . 1 . 2]" 2
765 1 17 ARG QG 1 47 HIS HB2 . . 4.640 3.553 2.106 4.651 0.011 6 0 "[ . 1 . 2]" 2
766 1 17 ARG QD 1 18 ALA H . . 4.340 2.957 2.006 4.244 . 0 0 "[ . 1 . 2]" 2
767 1 17 ARG QD 1 41 HIS HD2 . . 4.930 4.374 3.698 4.873 . 0 0 "[ . 1 . 2]" 2
768 1 17 ARG QD 1 47 HIS HB2 . . 4.610 3.058 2.078 4.221 . 0 0 "[ . 1 . 2]" 2
769 1 18 ALA MB 1 19 GLY QA . . 4.190 3.620 3.356 3.738 . 0 0 "[ . 1 . 2]" 2
770 1 20 CYS HA 1 21 ARG QB . . 5.340 4.375 4.073 5.036 . 0 0 "[ . 1 . 2]" 2
771 1 20 CYS HA 1 21 ARG QG . . 5.340 4.048 3.592 5.058 . 0 0 "[ . 1 . 2]" 2
772 1 21 ARG HA 1 21 ARG QG . . 3.410 2.867 2.140 3.345 . 0 0 "[ . 1 . 2]" 2
773 1 21 ARG QB 1 21 ARG QD . . 3.140 2.173 2.019 2.640 . 0 0 "[ . 1 . 2]" 2
774 1 21 ARG QB 1 22 GLN H . . 4.410 3.920 3.780 4.053 . 0 0 "[ . 1 . 2]" 2
775 1 21 ARG QG 1 22 GLN H . . 4.790 4.246 3.661 4.763 . 0 0 "[ . 1 . 2]" 2
776 1 22 GLN H 1 22 GLN QG . . 3.510 3.189 2.858 3.517 0.007 13 0 "[ . 1 . 2]" 2
777 1 22 GLN HA 1 22 GLN QG . . 3.540 2.729 2.615 2.843 . 0 0 "[ . 1 . 2]" 2
778 1 22 GLN HA 1 23 ARG QG . . 5.160 4.045 3.483 4.963 . 0 0 "[ . 1 . 2]" 2
779 1 22 GLN QG 1 23 ARG H . . 4.140 3.917 3.506 4.138 . 0 0 "[ . 1 . 2]" 2
780 1 22 GLN QG 1 38 CYS HB2 . . 4.000 3.017 2.333 3.602 . 0 0 "[ . 1 . 2]" 2
781 1 22 GLN QG 1 38 CYS HB3 . . 4.150 3.331 2.865 3.778 . 0 0 "[ . 1 . 2]" 2
782 1 22 GLN QG 1 40 LYS HB3 . . 5.200 4.817 4.371 5.095 . 0 0 "[ . 1 . 2]" 2
783 1 22 GLN QG 1 40 LYS QD . . 4.490 4.010 3.687 4.387 . 0 0 "[ . 1 . 2]" 2
784 1 23 ARG H 1 23 ARG QG . . 3.940 3.307 2.700 3.878 . 0 0 "[ . 1 . 2]" 2
785 1 23 ARG H 1 23 ARG QD . . 5.000 4.106 2.500 4.969 . 0 0 "[ . 1 . 2]" 2
786 1 23 ARG QB 1 23 ARG QD . . 3.140 2.207 2.028 2.609 . 0 0 "[ . 1 . 2]" 2
787 1 24 GLU H 1 24 GLU QG . . 4.410 3.121 2.632 3.644 . 0 0 "[ . 1 . 2]" 2
788 1 24 GLU QG 1 26 MET H . . 4.760 4.687 4.508 4.767 0.007 9 0 "[ . 1 . 2]" 2
789 1 24 GLU QG 1 38 CYS HB2 . . 3.880 2.748 2.307 3.201 . 0 0 "[ . 1 . 2]" 2
790 1 24 GLU QG 1 38 CYS HB3 . . 3.960 3.443 3.028 3.789 . 0 0 "[ . 1 . 2]" 2
791 1 24 GLU QG 1 39 ILE H . . 3.530 2.176 1.866 2.560 . 0 0 "[ . 1 . 2]" 2
792 1 25 MET H 1 25 MET QB . . 3.670 2.365 2.137 2.609 . 0 0 "[ . 1 . 2]" 2
793 1 25 MET H 1 25 MET QG . . 4.530 2.813 1.875 3.936 . 0 0 "[ . 1 . 2]" 2
794 1 25 MET HA 1 25 MET QG . . 3.500 2.547 2.203 3.361 . 0 0 "[ . 1 . 2]" 2
795 1 26 MET H 1 26 MET QG . . 3.150 2.237 1.989 2.668 . 0 0 "[ . 1 . 2]" 2
796 1 26 MET HA 1 27 LYS QB . . 4.700 4.079 4.035 4.129 . 0 0 "[ . 1 . 2]" 2
797 1 26 MET QG 1 28 LEU H . . 4.900 4.442 3.867 4.870 . 0 0 "[ . 1 . 2]" 2
798 1 26 MET QG 1 28 LEU HG . . 3.720 2.290 1.986 2.568 . 0 0 "[ . 1 . 2]" 2
799 1 26 MET QG 1 28 LEU MD2 . . 3.320 2.838 2.614 3.101 . 0 0 "[ . 1 . 2]" 2
800 1 27 LYS H 1 27 LYS QB . . 3.240 2.250 2.122 2.331 . 0 0 "[ . 1 . 2]" 2
801 1 27 LYS H 1 27 LYS QG . . 3.960 3.950 3.894 4.011 0.051 4 0 "[ . 1 . 2]" 2
802 1 27 LYS QB 1 27 LYS QE . . 3.720 2.398 1.981 3.389 . 0 0 "[ . 1 . 2]" 2
803 1 27 LYS QB 1 28 LEU H . . 3.960 3.740 3.591 3.863 . 0 0 "[ . 1 . 2]" 2
804 1 27 LYS QG 1 28 LEU H . . 3.720 2.858 2.523 3.223 . 0 0 "[ . 1 . 2]" 2
805 1 28 LEU HB3 1 42 ARG QG . . 4.490 3.674 3.463 4.001 . 0 0 "[ . 1 . 2]" 2
806 1 28 LEU MD2 1 42 ARG QG . . 3.760 2.880 2.322 3.289 . 0 0 "[ . 1 . 2]" 2
807 1 29 THR MG 1 36 ASN QB . . 4.380 4.081 3.574 4.309 . 0 0 "[ . 1 . 2]" 2
808 1 31 GLU H 1 31 GLU QB . . 3.270 2.670 2.265 2.849 . 0 0 "[ . 1 . 2]" 2
809 1 31 GLU H 1 31 GLU QG . . 3.820 2.580 1.960 3.860 0.040 19 0 "[ . 1 . 2]" 2
810 1 31 GLU HA 1 31 GLU QG . . 3.500 3.254 2.628 3.380 . 0 0 "[ . 1 . 2]" 2
811 1 31 GLU QG 1 32 ARG H . . 3.900 2.790 2.470 3.732 . 0 0 "[ . 1 . 2]" 2
812 1 31 GLU QG 1 32 ARG QG . . 3.580 2.290 1.965 3.168 . 0 0 "[ . 1 . 2]" 2
813 1 31 GLU QG 1 32 ARG QD . . 4.890 3.904 3.384 4.845 . 0 0 "[ . 1 . 2]" 2
814 1 32 ARG H 1 32 ARG QG . . 3.210 2.745 2.325 2.945 . 0 0 "[ . 1 . 2]" 2
815 1 32 ARG H 1 32 ARG QD . . 4.550 4.011 3.352 4.527 . 0 0 "[ . 1 . 2]" 2
816 1 32 ARG HA 1 32 ARG QD . . 4.210 4.096 3.670 4.197 . 0 0 "[ . 1 . 2]" 2
817 1 32 ARG HB2 1 32 ARG QD . . 3.320 2.386 2.168 3.177 . 0 0 "[ . 1 . 2]" 2
818 1 32 ARG HB3 1 32 ARG QD . . 3.530 2.633 2.278 2.946 . 0 0 "[ . 1 . 2]" 2
819 1 32 ARG QG 1 51 GLY QA . . 5.040 4.511 4.013 5.021 . 0 0 "[ . 1 . 2]" 2
820 1 32 ARG QD 1 44 PRO QB . . 3.940 2.508 1.920 3.341 . 0 0 "[ . 1 . 2]" 2
821 1 32 ARG QD 1 44 PRO QG . . 3.630 3.107 2.386 3.658 0.028 17 0 "[ . 1 . 2]" 2
822 1 35 ARG HA 1 36 ASN QB . . 4.230 4.106 4.074 4.138 . 0 0 "[ . 1 . 2]" 2
823 1 36 ASN H 1 36 ASN QB . . 3.040 2.246 2.197 2.291 . 0 0 "[ . 1 . 2]" 2
824 1 36 ASN QB 1 36 ASN HD21 . . 2.950 2.288 2.091 2.465 . 0 0 "[ . 1 . 2]" 2
825 1 36 ASN QB 1 37 PHE H . . 3.760 3.516 3.416 3.610 . 0 0 "[ . 1 . 2]" 2
826 1 39 ILE HA 1 42 ARG QG . . 4.070 3.317 3.210 3.551 . 0 0 "[ . 1 . 2]" 2
827 1 40 LYS H 1 40 LYS QG . . 3.570 3.440 3.289 3.533 . 0 0 "[ . 1 . 2]" 2
828 1 40 LYS QG 1 41 HIS H . . 4.960 4.496 4.437 4.577 . 0 0 "[ . 1 . 2]" 2
829 1 40 LYS QG 1 41 HIS HD2 . . 5.340 5.117 4.633 5.346 0.006 7 0 "[ . 1 . 2]" 2
830 1 42 ARG H 1 42 ARG QG . . 3.880 3.792 3.742 3.829 . 0 0 "[ . 1 . 2]" 2
831 1 42 ARG HA 1 42 ARG QG . . 3.740 3.172 3.072 3.233 . 0 0 "[ . 1 . 2]" 2
832 1 42 ARG QG 1 43 HIS H . . 3.750 3.216 3.037 3.452 . 0 0 "[ . 1 . 2]" 2
833 1 42 ARG QG 1 43 HIS HA . . 4.920 3.167 3.012 3.391 . 0 0 "[ . 1 . 2]" 2
834 1 43 HIS QB 1 44 PRO QG . . 5.350 4.517 4.472 4.559 . 0 0 "[ . 1 . 2]" 2
835 1 43 HIS HE1 1 44 PRO QG . . 4.900 3.518 3.367 4.188 . 0 0 "[ . 1 . 2]" 2
836 1 43 HIS HE1 1 45 LEU QB . . 4.130 3.628 3.244 3.781 . 0 0 "[ . 1 . 2]" 2
837 1 44 PRO QB 1 45 LEU H . . 3.900 3.751 3.642 3.817 . 0 0 "[ . 1 . 2]" 2
838 1 44 PRO QB 1 45 LEU MD2 . . 4.340 3.982 2.907 4.352 0.012 5 0 "[ . 1 . 2]" 2
839 1 44 PRO QB 1 49 CYS QB . . 3.030 2.703 2.128 2.942 . 0 0 "[ . 1 . 2]" 2
840 1 44 PRO QG 1 45 LEU H . . 4.640 3.347 3.102 3.509 . 0 0 "[ . 1 . 2]" 2
841 1 44 PRO QG 1 47 HIS HE1 . . 4.990 4.632 4.410 4.804 . 0 0 "[ . 1 . 2]" 2
842 1 45 LEU H 1 45 LEU QB . . 3.300 2.391 2.301 2.674 . 0 0 "[ . 1 . 2]" 2
843 1 45 LEU QB 1 45 LEU MD1 . . 2.730 2.060 1.958 2.096 . 0 0 "[ . 1 . 2]" 2
844 1 45 LEU QB 1 45 LEU MD2 . . 2.970 2.265 2.178 2.527 . 0 0 "[ . 1 . 2]" 2
845 1 45 LEU QB 1 46 ASP H . . 4.090 2.944 2.697 3.644 . 0 0 "[ . 1 . 2]" 2
846 1 50 SER H 1 50 SER QB . . 3.710 2.471 2.288 3.070 . 0 0 "[ . 1 . 2]" 2
847 1 52 GLU H 1 52 GLU QB . . 3.230 2.519 2.160 3.239 0.009 2 0 "[ . 1 . 2]" 2
848 1 52 GLU HA 1 53 GLY QA . . 5.140 4.103 3.891 4.532 . 0 0 "[ . 1 . 2]" 2
849 1 52 GLU QB 1 53 GLY H . . 4.170 3.160 2.070 3.928 . 0 0 "[ . 1 . 2]" 2
850 1 52 GLU QG 1 53 GLY QA . . 5.340 4.361 3.272 5.343 0.003 11 0 "[ . 1 . 2]" 2
851 1 54 HIS HA 1 55 PRO QD . . 3.260 1.974 1.852 2.094 . 0 0 "[ . 1 . 2]" 2
852 1 54 HIS QB 1 55 PRO QD . . 3.470 2.584 1.970 3.433 . 0 0 "[ . 1 . 2]" 2
853 1 59 GLY QA 1 60 PRO QD . . 3.120 1.977 1.847 2.176 . 0 0 "[ . 1 . 2]" 2
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