NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
505916 |
1wes   |
11352 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wes
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 28
_Distance_constraint_stats_list.Viol_count 197
_Distance_constraint_stats_list.Viol_total 11.612
_Distance_constraint_stats_list.Viol_max 0.018
_Distance_constraint_stats_list.Viol_rms 0.0023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0029
_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 19 CYS 0.043 0.006 15 0 "[ . 1 . 2]"
1 21 CYS 0.182 0.018 15 0 "[ . 1 . 2]"
1 32 CYS 0.082 0.010 6 0 "[ . 1 . 2]"
1 37 CYS 0.055 0.005 20 0 "[ . 1 . 2]"
1 43 HIS 0.060 0.006 19 0 "[ . 1 . 2]"
1 46 CYS 0.150 0.013 19 0 "[ . 1 . 2]"
1 59 CYS 0.064 0.013 6 0 "[ . 1 . 2]"
1 62 CYS 0.103 0.011 6 0 "[ . 1 . 2]"
2 1 ZN 0.247 0.018 15 0 "[ . 1 . 2]"
3 1 ZN 0.175 0.013 6 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 19 CYS SG 2 1 ZN ZN . 2.330 2.370 2.337 2.325 2.371 0.005 4 0 "[ . 1 . 2]" 1
2 1 21 CYS SG 2 1 ZN ZN . 2.330 2.370 2.326 2.312 2.332 0.018 15 0 "[ . 1 . 2]" 1
3 1 46 CYS SG 2 1 ZN ZN . 2.330 2.370 2.327 2.317 2.333 0.013 19 0 "[ . 1 . 2]" 1
4 1 43 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.333 2.327 2.372 0.003 19 0 "[ . 1 . 2]" 1
5 1 19 CYS CB 2 1 ZN ZN . 3.250 3.510 3.281 3.244 3.450 0.006 15 0 "[ . 1 . 2]" 1
6 1 21 CYS CB 2 1 ZN ZN . 3.250 3.510 3.503 3.445 3.526 0.016 15 0 "[ . 1 . 2]" 1
7 1 43 HIS CG 2 1 ZN ZN . 3.250 3.510 3.369 3.263 3.485 . 0 0 "[ . 1 . 2]" 1
8 1 46 CYS CB 2 1 ZN ZN . 3.250 3.510 3.410 3.330 3.510 . 0 0 "[ . 1 . 2]" 1
9 1 19 CYS SG 1 21 CYS SG . 3.200 4.000 3.710 3.461 3.889 . 0 0 "[ . 1 . 2]" 1
10 1 19 CYS SG 1 43 HIS ND1 . 3.200 4.000 3.299 3.198 3.629 0.002 4 0 "[ . 1 . 2]" 1
11 1 19 CYS SG 1 46 CYS SG . 3.200 4.000 3.856 3.628 4.001 0.001 18 0 "[ . 1 . 2]" 1
12 1 21 CYS SG 1 43 HIS ND1 . 3.200 4.000 3.758 3.565 4.000 . 0 0 "[ . 1 . 2]" 1
13 1 21 CYS SG 1 46 CYS SG . 3.200 4.000 4.001 3.975 4.012 0.012 15 0 "[ . 1 . 2]" 1
14 1 43 HIS ND1 1 46 CYS SG . 3.200 4.000 4.001 3.993 4.006 0.006 19 0 "[ . 1 . 2]" 1
15 1 32 CYS SG 3 1 ZN ZN . 2.330 2.370 2.340 2.328 2.374 0.004 15 0 "[ . 1 . 2]" 1
16 1 37 CYS SG 3 1 ZN ZN . 2.330 2.370 2.361 2.328 2.374 0.004 19 0 "[ . 1 . 2]" 1
17 1 59 CYS SG 3 1 ZN ZN . 2.330 2.370 2.331 2.317 2.361 0.013 6 0 "[ . 1 . 2]" 1
18 1 62 CYS SG 3 1 ZN ZN . 2.330 2.370 2.334 2.319 2.369 0.011 6 0 "[ . 1 . 2]" 1
19 1 32 CYS CB 3 1 ZN ZN . 3.250 3.510 3.324 3.242 3.466 0.008 6 0 "[ . 1 . 2]" 1
20 1 37 CYS CB 3 1 ZN ZN . 3.250 3.510 3.261 3.245 3.482 0.005 20 0 "[ . 1 . 2]" 1
21 1 59 CYS CB 3 1 ZN ZN . 3.250 3.510 3.370 3.246 3.521 0.011 6 0 "[ . 1 . 2]" 1
22 1 62 CYS CB 3 1 ZN ZN . 3.250 3.510 3.421 3.251 3.515 0.005 6 0 "[ . 1 . 2]" 1
23 1 32 CYS SG 1 37 CYS SG . 3.200 4.000 3.840 3.562 4.001 0.001 1 0 "[ . 1 . 2]" 1
24 1 32 CYS SG 1 59 CYS SG . 3.200 4.000 3.882 3.705 4.001 0.001 4 0 "[ . 1 . 2]" 1
25 1 32 CYS SG 1 62 CYS SG . 3.200 4.000 3.993 3.799 4.010 0.010 6 0 "[ . 1 . 2]" 1
26 1 37 CYS SG 1 59 CYS SG . 3.200 4.000 3.923 3.749 4.001 0.001 16 0 "[ . 1 . 2]" 1
27 1 37 CYS SG 1 62 CYS SG . 3.200 4.000 3.808 3.588 4.003 0.003 3 0 "[ . 1 . 2]" 1
28 1 59 CYS SG 1 62 CYS SG . 3.200 4.000 3.411 3.201 3.680 . 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 1021
_Distance_constraint_stats_list.Viol_count 406
_Distance_constraint_stats_list.Viol_total 215.015
_Distance_constraint_stats_list.Viol_max 0.223
_Distance_constraint_stats_list.Viol_rms 0.0066
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0265
_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 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.105 0.070 12 0 "[ . 1 . 2]"
1 11 ILE 0.106 0.070 12 0 "[ . 1 . 2]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASN 0.162 0.081 2 0 "[ . 1 . 2]"
1 15 GLU 0.034 0.017 14 0 "[ . 1 . 2]"
1 16 PRO 0.020 0.009 4 0 "[ . 1 . 2]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TYR 0.076 0.015 19 0 "[ . 1 . 2]"
1 19 CYS 0.142 0.077 15 0 "[ . 1 . 2]"
1 20 LEU 0.026 0.010 17 0 "[ . 1 . 2]"
1 21 CYS 0.033 0.010 1 0 "[ . 1 . 2]"
1 22 ASN 0.106 0.077 15 0 "[ . 1 . 2]"
1 23 GLN 0.182 0.026 3 0 "[ . 1 . 2]"
1 24 VAL 0.271 0.029 14 0 "[ . 1 . 2]"
1 25 SER 0.109 0.021 14 0 "[ . 1 . 2]"
1 26 TYR 1.222 0.153 16 0 "[ . 1 . 2]"
1 27 GLY 0.668 0.153 16 0 "[ . 1 . 2]"
1 28 GLU 1.311 0.223 9 0 "[ . 1 . 2]"
1 29 MET 0.829 0.093 15 0 "[ . 1 . 2]"
1 30 ILE 0.836 0.082 11 0 "[ . 1 . 2]"
1 31 GLY 0.081 0.027 4 0 "[ . 1 . 2]"
1 32 CYS 0.099 0.030 13 0 "[ . 1 . 2]"
1 33 ASP 0.445 0.162 13 0 "[ . 1 . 2]"
1 34 ASN 0.082 0.036 13 0 "[ . 1 . 2]"
1 35 GLU 0.046 0.036 13 0 "[ . 1 . 2]"
1 36 GLN 0.050 0.028 9 0 "[ . 1 . 2]"
1 37 CYS 0.286 0.051 19 0 "[ . 1 . 2]"
1 38 PRO 0.226 0.047 19 0 "[ . 1 . 2]"
1 39 ILE 0.240 0.047 19 0 "[ . 1 . 2]"
1 40 GLU 0.268 0.051 19 0 "[ . 1 . 2]"
1 41 TRP 0.089 0.015 19 0 "[ . 1 . 2]"
1 42 PHE 0.542 0.083 15 0 "[ . 1 . 2]"
1 43 HIS 0.083 0.014 3 0 "[ . 1 . 2]"
1 44 PHE 1.214 0.128 18 0 "[ . 1 . 2]"
1 45 SER 0.013 0.013 1 0 "[ . 1 . 2]"
1 46 CYS 0.050 0.012 4 0 "[ . 1 . 2]"
1 47 VAL 0.019 0.010 15 0 "[ . 1 . 2]"
1 48 SER 0.001 0.001 18 0 "[ . 1 . 2]"
1 49 LEU 0.168 0.038 16 0 "[ . 1 . 2]"
1 50 THR 0.097 0.046 19 0 "[ . 1 . 2]"
1 51 TYR 0.058 0.046 19 0 "[ . 1 . 2]"
1 52 LYS 0.774 0.188 20 0 "[ . 1 . 2]"
1 53 PRO 0.575 0.188 20 0 "[ . 1 . 2]"
1 54 LYS 0.399 0.180 5 0 "[ . 1 . 2]"
1 55 GLY 0.161 0.050 9 0 "[ . 1 . 2]"
1 56 LYS 0.251 0.041 18 0 "[ . 1 . 2]"
1 57 TRP 0.267 0.091 13 0 "[ . 1 . 2]"
1 58 TYR 0.603 0.045 14 0 "[ . 1 . 2]"
1 59 CYS 0.239 0.046 16 0 "[ . 1 . 2]"
1 60 PRO 0.077 0.039 14 0 "[ . 1 . 2]"
1 61 LYS 1.603 0.201 10 0 "[ . 1 . 2]"
1 62 CYS 0.657 0.091 18 0 "[ . 1 . 2]"
1 63 ARG 0.728 0.174 6 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLY 0.864 0.147 18 0 "[ . 1 . 2]"
1 68 PRO 0.864 0.147 18 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 34 ASN HA 1 35 GLU H . . 3.210 2.184 2.140 2.331 . 0 0 "[ . 1 . 2]" 2
2 1 35 GLU H 1 35 GLU QG . . 4.020 2.915 1.886 4.031 0.011 13 0 "[ . 1 . 2]" 2
3 1 35 GLU H 1 35 GLU QB . . 3.400 2.326 2.126 2.616 . 0 0 "[ . 1 . 2]" 2
4 1 58 TYR HA 1 59 CYS H . . 3.260 2.146 2.137 2.185 . 0 0 "[ . 1 . 2]" 2
5 1 58 TYR HB3 1 59 CYS H . . 4.070 3.441 3.098 3.623 . 0 0 "[ . 1 . 2]" 2
6 1 59 CYS H 1 59 CYS HB2 . . 3.680 3.541 3.484 3.575 . 0 0 "[ . 1 . 2]" 2
7 1 59 CYS H 1 59 CYS HB3 . . 3.520 2.269 2.175 2.382 . 0 0 "[ . 1 . 2]" 2
8 1 20 LEU H 1 21 CYS H . . 3.520 2.638 2.519 2.775 . 0 0 "[ . 1 . 2]" 2
9 1 20 LEU H 1 42 PHE QD . . 4.050 2.391 1.887 2.957 . 0 0 "[ . 1 . 2]" 2
10 1 20 LEU H 1 20 LEU HG . . 3.540 2.025 1.895 2.245 . 0 0 "[ . 1 . 2]" 2
11 1 20 LEU H 1 20 LEU HB2 . . 4.050 2.620 2.505 2.691 . 0 0 "[ . 1 . 2]" 2
12 1 20 LEU H 1 20 LEU HB3 . . 4.050 3.584 3.574 3.597 . 0 0 "[ . 1 . 2]" 2
13 1 20 LEU H 1 20 LEU MD1 . . 4.330 3.147 3.064 3.333 . 0 0 "[ . 1 . 2]" 2
14 1 33 ASP H 1 58 TYR HA . . 4.650 3.011 2.262 4.691 0.041 13 0 "[ . 1 . 2]" 2
15 1 34 ASN HB3 1 37 CYS H . . 3.470 3.229 2.922 3.385 . 0 0 "[ . 1 . 2]" 2
16 1 37 CYS H 1 37 CYS HB2 . . 3.350 2.190 2.164 2.278 . 0 0 "[ . 1 . 2]" 2
17 1 37 CYS H 1 37 CYS HB3 . . 3.260 2.991 2.857 3.058 . 0 0 "[ . 1 . 2]" 2
18 1 56 LYS HB3 1 57 TRP H . . 4.220 3.435 2.166 4.173 . 0 0 "[ . 1 . 2]" 2
19 1 57 TRP H 1 57 TRP HB3 . . 3.840 2.751 2.637 3.037 . 0 0 "[ . 1 . 2]" 2
20 1 31 GLY HA2 1 32 CYS H . . 3.410 2.173 2.142 2.223 . 0 0 "[ . 1 . 2]" 2
21 1 32 CYS H 1 32 CYS HB3 . . 3.300 2.548 2.434 2.733 . 0 0 "[ . 1 . 2]" 2
22 1 44 PHE H 1 45 SER H . . 4.070 2.725 2.532 2.953 . 0 0 "[ . 1 . 2]" 2
23 1 44 PHE H 1 44 PHE QE . . 5.490 4.592 4.312 4.964 . 0 0 "[ . 1 . 2]" 2
24 1 44 PHE H 1 44 PHE QD . . 3.620 2.262 1.995 2.645 . 0 0 "[ . 1 . 2]" 2
25 1 43 HIS HA 1 44 PHE H . . 3.190 2.388 2.182 2.550 . 0 0 "[ . 1 . 2]" 2
26 1 43 HIS HB3 1 44 PHE H . . 3.590 2.523 2.172 3.117 . 0 0 "[ . 1 . 2]" 2
27 1 43 HIS HB2 1 44 PHE H . . 4.280 3.560 3.231 4.035 . 0 0 "[ . 1 . 2]" 2
28 1 44 PHE H 1 44 PHE HB2 . . 3.740 2.262 2.178 2.328 . 0 0 "[ . 1 . 2]" 2
29 1 44 PHE H 1 44 PHE HB3 . . 3.740 3.541 3.472 3.588 . 0 0 "[ . 1 . 2]" 2
30 1 39 ILE H 1 40 GLU H . . 3.200 2.310 2.198 2.453 . 0 0 "[ . 1 . 2]" 2
31 1 38 PRO HD3 1 39 ILE H . . 4.000 3.991 3.904 4.047 0.047 19 0 "[ . 1 . 2]" 2
32 1 38 PRO HG2 1 39 ILE H . . 3.920 3.189 2.875 3.359 . 0 0 "[ . 1 . 2]" 2
33 1 39 ILE H 1 39 ILE HB . . 3.460 2.591 2.521 2.711 . 0 0 "[ . 1 . 2]" 2
34 1 39 ILE H 1 39 ILE HG13 . . 4.080 2.578 2.369 2.740 . 0 0 "[ . 1 . 2]" 2
35 1 28 GLU HA 1 29 MET H . . 2.840 2.177 2.146 2.203 . 0 0 "[ . 1 . 2]" 2
36 1 29 MET H 1 29 MET HG3 . . 3.810 3.550 2.915 3.762 . 0 0 "[ . 1 . 2]" 2
37 1 29 MET H 1 29 MET HB3 . . 3.870 3.740 3.643 3.859 . 0 0 "[ . 1 . 2]" 2
38 1 29 MET H 1 29 MET HB2 . . 3.580 2.674 2.581 2.787 . 0 0 "[ . 1 . 2]" 2
39 1 28 GLU HB3 1 29 MET H . . 4.380 3.491 3.037 4.200 . 0 0 "[ . 1 . 2]" 2
40 1 58 TYR H 1 58 TYR QD . . 3.970 2.780 2.283 3.327 . 0 0 "[ . 1 . 2]" 2
41 1 57 TRP HA 1 58 TYR H . . 2.940 2.147 2.140 2.182 . 0 0 "[ . 1 . 2]" 2
42 1 57 TRP HB2 1 58 TYR H . . 4.450 4.302 4.086 4.412 . 0 0 "[ . 1 . 2]" 2
43 1 58 TYR H 1 58 TYR HB3 . . 3.970 3.659 3.593 3.771 . 0 0 "[ . 1 . 2]" 2
44 1 58 TYR H 1 58 TYR HB2 . . 3.660 2.450 2.373 2.633 . 0 0 "[ . 1 . 2]" 2
45 1 43 HIS H 1 43 HIS HE1 . . 5.450 4.914 4.515 5.194 . 0 0 "[ . 1 . 2]" 2
46 1 43 HIS H 1 47 VAL H . . 5.500 4.733 4.471 5.016 . 0 0 "[ . 1 . 2]" 2
47 1 43 HIS H 1 43 HIS HB3 . . 3.840 3.618 3.597 3.644 . 0 0 "[ . 1 . 2]" 2
48 1 43 HIS H 1 43 HIS HB2 . . 3.900 2.562 2.498 2.620 . 0 0 "[ . 1 . 2]" 2
49 1 42 PHE HB3 1 43 HIS H . . 3.580 2.706 2.413 2.915 . 0 0 "[ . 1 . 2]" 2
50 1 42 PHE HB2 1 43 HIS H . . 4.410 3.734 3.354 3.944 . 0 0 "[ . 1 . 2]" 2
51 1 19 CYS HB2 1 43 HIS H . . 4.050 3.068 2.757 3.421 . 0 0 "[ . 1 . 2]" 2
52 1 62 CYS H 1 62 CYS HB2 . . 3.570 2.401 2.338 2.499 . 0 0 "[ . 1 . 2]" 2
53 1 61 LYS HB2 1 62 CYS H . . 3.650 3.335 2.977 3.741 0.091 18 0 "[ . 1 . 2]" 2
54 1 61 LYS HB3 1 62 CYS H . . 3.650 3.391 3.012 3.663 0.013 4 0 "[ . 1 . 2]" 2
55 1 12 ASP QB 1 15 GLU H . . 4.460 3.440 2.798 4.434 . 0 0 "[ . 1 . 2]" 2
56 1 14 ASN HB2 1 15 GLU H . . 4.780 3.367 2.108 4.611 . 0 0 "[ . 1 . 2]" 2
57 1 15 GLU H 1 15 GLU QG . . 4.070 3.559 2.458 4.068 . 0 0 "[ . 1 . 2]" 2
58 1 15 GLU H 1 15 GLU QB . . 3.180 2.310 2.135 2.645 . 0 0 "[ . 1 . 2]" 2
59 1 27 GLY HA2 1 28 GLU H . . 3.270 2.971 2.680 3.278 0.008 6 0 "[ . 1 . 2]" 2
60 1 27 GLY HA3 1 28 GLU H . . 3.270 2.256 2.137 2.452 . 0 0 "[ . 1 . 2]" 2
61 1 28 GLU H 1 28 GLU HG2 . . 4.140 3.372 1.875 4.142 0.002 8 0 "[ . 1 . 2]" 2
62 1 28 GLU H 1 28 GLU HG3 . . 4.140 3.658 2.926 4.092 . 0 0 "[ . 1 . 2]" 2
63 1 28 GLU H 1 28 GLU HB2 . . 3.860 2.703 2.172 3.718 . 0 0 "[ . 1 . 2]" 2
64 1 27 GLY H 1 28 GLU H . . 4.890 4.501 4.066 4.648 . 0 0 "[ . 1 . 2]" 2
65 1 28 GLU H 1 28 GLU HB3 . . 3.860 3.320 2.490 3.668 . 0 0 "[ . 1 . 2]" 2
66 1 30 ILE H 1 44 PHE QE . . 4.640 3.209 2.717 3.678 . 0 0 "[ . 1 . 2]" 2
67 1 29 MET HB3 1 30 ILE H . . 3.960 2.793 2.326 3.173 . 0 0 "[ . 1 . 2]" 2
68 1 33 ASP H 1 34 ASN H . . 3.010 2.912 2.517 3.025 0.015 15 0 "[ . 1 . 2]" 2
69 1 34 ASN H 1 34 ASN HB3 . . 3.480 2.634 2.564 2.769 . 0 0 "[ . 1 . 2]" 2
70 1 45 SER H 1 46 CYS H . . 3.630 2.882 2.806 2.959 . 0 0 "[ . 1 . 2]" 2
71 1 43 HIS HB3 1 46 CYS H . . 3.650 3.339 3.163 3.464 . 0 0 "[ . 1 . 2]" 2
72 1 46 CYS H 1 46 CYS HB2 . . 3.080 2.237 2.177 2.284 . 0 0 "[ . 1 . 2]" 2
73 1 46 CYS H 1 46 CYS HB3 . . 3.540 3.524 3.487 3.550 0.010 20 0 "[ . 1 . 2]" 2
74 1 43 HIS HB2 1 46 CYS H . . 3.600 2.772 2.553 2.892 . 0 0 "[ . 1 . 2]" 2
75 1 34 ASN H 1 34 ASN HB2 . . 3.510 2.532 2.321 3.077 . 0 0 "[ . 1 . 2]" 2
76 1 53 PRO HA 1 54 LYS H . . 3.320 2.192 2.150 2.559 . 0 0 "[ . 1 . 2]" 2
77 1 53 PRO HB3 1 54 LYS H . . 4.420 4.000 3.278 4.303 . 0 0 "[ . 1 . 2]" 2
78 1 54 LYS H 1 54 LYS HB2 . . 3.760 2.590 2.199 3.720 . 0 0 "[ . 1 . 2]" 2
79 1 54 LYS H 1 54 LYS HB3 . . 3.760 3.079 2.295 3.596 . 0 0 "[ . 1 . 2]" 2
80 1 11 ILE H 1 12 ASP H . . 4.540 4.356 4.082 4.535 . 0 0 "[ . 1 . 2]" 2
81 1 10 ALA HA 1 11 ILE H . . 2.940 2.310 2.142 2.886 . 0 0 "[ . 1 . 2]" 2
82 1 11 ILE H 1 11 ILE HB . . 3.420 2.537 2.449 2.677 . 0 0 "[ . 1 . 2]" 2
83 1 11 ILE H 1 11 ILE HG12 . . 4.060 3.732 2.689 4.061 0.001 5 0 "[ . 1 . 2]" 2
84 1 10 ALA MB 1 11 ILE H . . 3.630 3.178 2.385 3.700 0.070 12 0 "[ . 1 . 2]" 2
85 1 11 ILE H 1 11 ILE HG13 . . 4.060 2.681 1.901 4.009 . 0 0 "[ . 1 . 2]" 2
86 1 11 ILE H 1 11 ILE MD . . 5.050 2.820 1.831 3.782 . 0 0 "[ . 1 . 2]" 2
87 1 55 GLY HA2 1 56 LYS H . . 3.410 3.156 2.332 3.451 0.041 18 0 "[ . 1 . 2]" 2
88 1 56 LYS H 1 56 LYS QD . . 4.280 3.567 1.808 4.258 . 0 0 "[ . 1 . 2]" 2
89 1 56 LYS H 1 56 LYS QG . . 3.270 2.608 1.849 3.284 0.014 10 0 "[ . 1 . 2]" 2
90 1 25 SER QB 1 26 TYR H . . 3.710 3.414 2.853 3.731 0.021 14 0 "[ . 1 . 2]" 2
91 1 26 TYR H 1 29 MET ME . . 4.410 3.916 3.369 4.356 . 0 0 "[ . 1 . 2]" 2
92 1 26 TYR H 1 26 TYR QD . . 3.370 3.124 2.647 3.379 0.009 2 0 "[ . 1 . 2]" 2
93 1 25 SER HA 1 26 TYR H . . 3.100 2.173 2.138 2.255 . 0 0 "[ . 1 . 2]" 2
94 1 40 GLU H 1 41 TRP H . . 4.770 2.923 2.837 2.993 . 0 0 "[ . 1 . 2]" 2
95 1 18 TYR QD 1 41 TRP H . . 4.550 4.515 4.392 4.565 0.015 19 0 "[ . 1 . 2]" 2
96 1 41 TRP H 1 41 TRP HB3 . . 4.010 3.957 3.924 3.975 . 0 0 "[ . 1 . 2]" 2
97 1 41 TRP H 1 41 TRP HB2 . . 3.460 2.978 2.911 3.002 . 0 0 "[ . 1 . 2]" 2
98 1 40 GLU HB3 1 41 TRP H . . 4.520 4.308 4.111 4.410 . 0 0 "[ . 1 . 2]" 2
99 1 47 VAL H 1 49 LEU H . . 4.230 3.877 3.663 4.024 . 0 0 "[ . 1 . 2]" 2
100 1 45 SER HA 1 49 LEU H . . 3.950 3.252 2.989 3.652 . 0 0 "[ . 1 . 2]" 2
101 1 48 SER HA 1 49 LEU H . . 3.260 2.638 2.615 2.707 . 0 0 "[ . 1 . 2]" 2
102 1 44 PHE HA 1 49 LEU H . . 3.510 3.454 3.253 3.525 0.015 15 0 "[ . 1 . 2]" 2
103 1 49 LEU H 1 49 LEU HG . . 3.760 3.615 3.551 3.667 . 0 0 "[ . 1 . 2]" 2
104 1 49 LEU H 1 49 LEU HB2 . . 3.260 2.369 2.265 2.438 . 0 0 "[ . 1 . 2]" 2
105 1 49 LEU H 1 49 LEU HB3 . . 3.640 3.530 3.447 3.601 . 0 0 "[ . 1 . 2]" 2
106 1 50 THR H 1 51 TYR H . . 3.730 2.160 1.916 2.740 . 0 0 "[ . 1 . 2]" 2
107 1 51 TYR H 1 51 TYR QD . . 4.240 3.159 2.565 3.497 . 0 0 "[ . 1 . 2]" 2
108 1 49 LEU HA 1 51 TYR H . . 4.160 3.938 3.655 4.109 . 0 0 "[ . 1 . 2]" 2
109 1 50 THR HB 1 51 TYR H . . 3.970 3.028 2.636 4.016 0.046 19 0 "[ . 1 . 2]" 2
110 1 51 TYR H 1 51 TYR HB2 . . 4.140 3.901 3.790 4.007 . 0 0 "[ . 1 . 2]" 2
111 1 51 TYR H 1 51 TYR HB3 . . 4.140 3.538 3.312 3.749 . 0 0 "[ . 1 . 2]" 2
112 1 49 LEU HB3 1 51 TYR H . . 4.310 3.419 2.221 3.620 . 0 0 "[ . 1 . 2]" 2
113 1 49 LEU MD2 1 51 TYR H . . 4.460 3.109 2.799 3.646 . 0 0 "[ . 1 . 2]" 2
114 1 18 TYR H 1 18 TYR QD . . 4.100 2.495 1.984 2.893 . 0 0 "[ . 1 . 2]" 2
115 1 18 TYR H 1 19 CYS H . . 4.410 2.367 2.150 2.565 . 0 0 "[ . 1 . 2]" 2
116 1 17 THR HA 1 18 TYR H . . 2.990 2.242 2.146 2.370 . 0 0 "[ . 1 . 2]" 2
117 1 17 THR HB 1 18 TYR H . . 3.520 2.878 2.478 3.335 . 0 0 "[ . 1 . 2]" 2
118 1 18 TYR H 1 18 TYR HB3 . . 4.160 3.780 3.693 3.843 . 0 0 "[ . 1 . 2]" 2
119 1 18 TYR H 1 18 TYR HB2 . . 3.730 2.655 2.508 2.759 . 0 0 "[ . 1 . 2]" 2
120 1 18 TYR H 1 29 MET ME . . 4.480 4.159 3.851 4.485 0.005 13 0 "[ . 1 . 2]" 2
121 1 17 THR MG 1 18 TYR H . . 4.190 3.912 3.749 4.047 . 0 0 "[ . 1 . 2]" 2
122 1 61 LYS H 1 63 ARG H . . 4.190 3.852 3.525 4.206 0.016 16 0 "[ . 1 . 2]" 2
123 1 60 PRO HD2 1 61 LYS H . . 4.430 2.936 2.703 3.021 . 0 0 "[ . 1 . 2]" 2
124 1 59 CYS HB2 1 61 LYS H . . 3.440 2.957 2.848 3.129 . 0 0 "[ . 1 . 2]" 2
125 1 61 LYS H 1 61 LYS HB3 . . 3.500 3.289 2.906 3.503 0.003 9 0 "[ . 1 . 2]" 2
126 1 59 CYS HB3 1 61 LYS H . . 4.460 4.086 4.058 4.219 . 0 0 "[ . 1 . 2]" 2
127 1 61 LYS H 1 61 LYS QG . . 3.750 3.465 3.203 3.951 0.201 10 0 "[ . 1 . 2]" 2
128 1 14 ASN H 1 15 GLU H . . 3.570 2.886 2.290 3.459 . 0 0 "[ . 1 . 2]" 2
129 1 12 ASP QB 1 14 ASN H . . 3.890 2.786 2.370 3.791 . 0 0 "[ . 1 . 2]" 2
130 1 62 CYS HB2 1 63 ARG H . . 4.040 2.574 2.316 2.876 . 0 0 "[ . 1 . 2]" 2
131 1 63 ARG H 1 63 ARG HB2 . . 3.700 3.567 3.135 3.626 . 0 0 "[ . 1 . 2]" 2
132 1 63 ARG H 1 63 ARG HB3 . . 3.700 2.445 2.125 2.738 . 0 0 "[ . 1 . 2]" 2
133 1 63 ARG H 1 63 ARG QG . . 3.460 2.399 1.869 3.634 0.174 6 0 "[ . 1 . 2]" 2
134 1 30 ILE H 1 42 PHE H . . 4.240 2.741 2.343 3.207 . 0 0 "[ . 1 . 2]" 2
135 1 42 PHE H 1 42 PHE QD . . 3.810 2.910 2.485 3.221 . 0 0 "[ . 1 . 2]" 2
136 1 41 TRP HB3 1 42 PHE H . . 4.250 3.572 3.466 3.709 . 0 0 "[ . 1 . 2]" 2
137 1 3 SER QB 1 4 GLY H . . 4.390 2.922 2.138 4.058 . 0 0 "[ . 1 . 2]" 2
138 1 30 ILE HA 1 31 GLY H . . 3.160 2.328 2.274 2.402 . 0 0 "[ . 1 . 2]" 2
139 1 30 ILE HB 1 31 GLY H . . 3.500 2.639 2.485 2.762 . 0 0 "[ . 1 . 2]" 2
140 1 30 ILE HG12 1 31 GLY H . . 3.670 3.462 3.140 3.697 0.027 4 0 "[ . 1 . 2]" 2
141 1 30 ILE HG13 1 31 GLY H . . 4.590 4.466 4.094 4.595 0.005 14 0 "[ . 1 . 2]" 2
142 1 21 CYS H 1 23 GLN H . . 4.570 4.328 4.131 4.443 . 0 0 "[ . 1 . 2]" 2
143 1 22 ASN HA 1 23 GLN H . . 3.330 2.642 2.616 2.721 . 0 0 "[ . 1 . 2]" 2
144 1 17 THR HB 1 23 GLN H . . 4.120 2.997 2.631 3.243 . 0 0 "[ . 1 . 2]" 2
145 1 19 CYS HB2 1 23 GLN H . . 4.230 4.098 3.934 4.233 0.003 19 0 "[ . 1 . 2]" 2
146 1 23 GLN H 1 43 HIS HE1 . . 3.810 3.565 3.250 3.814 0.004 12 0 "[ . 1 . 2]" 2
147 1 19 CYS HB3 1 23 GLN H . . 3.950 2.754 2.494 2.952 . 0 0 "[ . 1 . 2]" 2
148 1 23 GLN H 1 23 GLN HG2 . . 3.440 3.365 3.249 3.439 . 0 0 "[ . 1 . 2]" 2
149 1 18 TYR HB3 1 19 CYS H . . 3.380 3.219 2.981 3.369 . 0 0 "[ . 1 . 2]" 2
150 1 19 CYS H 1 39 ILE MG . . 4.020 3.655 3.457 3.949 . 0 0 "[ . 1 . 2]" 2
151 1 18 TYR QE 1 25 SER H . . 4.650 4.223 3.935 4.596 . 0 0 "[ . 1 . 2]" 2
152 1 24 VAL HA 1 25 SER H . . 3.450 2.236 2.149 2.468 . 0 0 "[ . 1 . 2]" 2
153 1 35 GLU H 1 36 GLN H . . 3.790 2.888 2.306 3.194 . 0 0 "[ . 1 . 2]" 2
154 1 34 ASN HA 1 36 GLN H . . 4.530 4.081 3.479 4.338 . 0 0 "[ . 1 . 2]" 2
155 1 36 GLN H 1 36 GLN QG . . 4.060 3.058 1.983 4.071 0.011 3 0 "[ . 1 . 2]" 2
156 1 35 GLU QB 1 36 GLN H . . 3.810 2.456 2.130 3.523 . 0 0 "[ . 1 . 2]" 2
157 1 36 GLN H 1 36 GLN HB3 . . 3.940 3.206 2.517 3.621 . 0 0 "[ . 1 . 2]" 2
158 1 19 CYS HB3 1 21 CYS H . . 3.350 3.052 2.756 3.258 . 0 0 "[ . 1 . 2]" 2
159 1 19 CYS HA 1 21 CYS H . . 4.930 4.296 4.123 4.486 . 0 0 "[ . 1 . 2]" 2
160 1 21 CYS H 1 21 CYS HB2 . . 3.630 3.596 3.588 3.616 . 0 0 "[ . 1 . 2]" 2
161 1 21 CYS H 1 21 CYS HB3 . . 3.580 2.578 2.513 2.684 . 0 0 "[ . 1 . 2]" 2
162 1 19 CYS HB2 1 21 CYS H . . 4.600 4.451 4.276 4.600 . 0 0 "[ . 1 . 2]" 2
163 1 20 LEU HB2 1 21 CYS H . . 4.140 2.700 2.534 2.891 . 0 0 "[ . 1 . 2]" 2
164 1 20 LEU HB3 1 21 CYS H . . 4.140 3.850 3.690 3.979 . 0 0 "[ . 1 . 2]" 2
165 1 23 GLN HA 1 24 VAL H . . 3.230 2.381 2.304 2.578 . 0 0 "[ . 1 . 2]" 2
166 1 45 SER HA 1 48 SER H . . 4.180 3.873 3.660 4.058 . 0 0 "[ . 1 . 2]" 2
167 1 46 CYS HA 1 48 SER H . . 4.590 3.636 3.575 3.721 . 0 0 "[ . 1 . 2]" 2
168 1 48 SER H 1 48 SER HA . . 2.870 2.289 2.276 2.318 . 0 0 "[ . 1 . 2]" 2
169 1 67 GLY H 1 68 PRO QG . . 4.270 3.820 3.512 4.279 0.009 14 0 "[ . 1 . 2]" 2
170 1 54 LYS HB2 1 55 GLY H . . 4.560 3.857 2.133 4.516 . 0 0 "[ . 1 . 2]" 2
171 1 54 LYS HB3 1 55 GLY H . . 4.560 3.565 2.338 4.396 . 0 0 "[ . 1 . 2]" 2
172 1 54 LYS H 1 55 GLY H . . 4.810 4.430 3.119 4.654 . 0 0 "[ . 1 . 2]" 2
173 1 45 SER H 1 45 SER HB2 . . 3.720 2.390 2.206 2.658 . 0 0 "[ . 1 . 2]" 2
174 1 45 SER H 1 45 SER HB3 . . 3.720 3.090 2.432 3.611 . 0 0 "[ . 1 . 2]" 2
175 1 43 HIS HB3 1 45 SER H . . 4.060 3.598 3.358 3.794 . 0 0 "[ . 1 . 2]" 2
176 1 43 HIS HB2 1 45 SER H . . 4.500 4.353 4.073 4.513 0.013 1 0 "[ . 1 . 2]" 2
177 1 44 PHE HB2 1 45 SER H . . 3.750 2.363 2.233 2.541 . 0 0 "[ . 1 . 2]" 2
178 1 44 PHE HB3 1 45 SER H . . 3.750 2.935 2.803 3.228 . 0 0 "[ . 1 . 2]" 2
179 1 26 TYR QD 1 27 GLY H . . 4.560 2.673 2.206 3.167 . 0 0 "[ . 1 . 2]" 2
180 1 26 TYR HA 1 27 GLY H . . 3.420 2.771 2.235 3.573 0.153 16 0 "[ . 1 . 2]" 2
181 1 26 TYR HB2 1 27 GLY H . . 4.370 2.809 2.139 3.848 . 0 0 "[ . 1 . 2]" 2
182 1 26 TYR HB3 1 27 GLY H . . 4.370 3.892 3.562 4.185 . 0 0 "[ . 1 . 2]" 2
183 1 16 PRO HB2 1 17 THR H . . 4.030 2.367 2.029 2.645 . 0 0 "[ . 1 . 2]" 2
184 1 63 ARG HB3 1 64 GLY H . . 4.620 4.083 3.152 4.581 . 0 0 "[ . 1 . 2]" 2
185 1 63 ARG QG 1 64 GLY H . . 4.800 2.671 2.001 3.725 . 0 0 "[ . 1 . 2]" 2
186 1 44 PHE HA 1 47 VAL H . . 3.740 3.464 3.331 3.566 . 0 0 "[ . 1 . 2]" 2
187 1 46 CYS HB2 1 47 VAL H . . 3.720 2.616 2.524 2.767 . 0 0 "[ . 1 . 2]" 2
188 1 46 CYS HB3 1 47 VAL H . . 3.810 3.188 3.033 3.337 . 0 0 "[ . 1 . 2]" 2
189 1 47 VAL H 1 47 VAL MG1 . . 3.460 2.445 2.324 2.633 . 0 0 "[ . 1 . 2]" 2
190 1 47 VAL H 1 47 VAL MG2 . . 3.170 1.941 1.861 2.169 . 0 0 "[ . 1 . 2]" 2
191 1 6 SER QB 1 7 GLY H . . 5.500 3.143 2.136 4.047 . 0 0 "[ . 1 . 2]" 2
192 1 9 PHE H 1 9 PHE QD . . 5.010 2.964 1.952 4.442 . 0 0 "[ . 1 . 2]" 2
193 1 56 LYS H 1 57 TRP H . . 4.660 4.437 4.252 4.617 . 0 0 "[ . 1 . 2]" 2
194 1 9 PHE HB2 1 10 ALA H . . 4.990 4.097 2.754 4.637 . 0 0 "[ . 1 . 2]" 2
195 1 13 PRO QD 1 15 GLU H . . 5.390 4.720 3.451 5.321 . 0 0 "[ . 1 . 2]" 2
196 1 17 THR H 1 18 TYR H . . 4.640 4.407 4.265 4.513 . 0 0 "[ . 1 . 2]" 2
197 1 19 CYS H 1 21 CYS H . . 5.500 5.437 5.211 5.510 0.010 1 0 "[ . 1 . 2]" 2
198 1 19 CYS H 1 42 PHE QD . . 5.500 4.923 4.570 5.463 . 0 0 "[ . 1 . 2]" 2
199 1 19 CYS H 1 42 PHE HA . . 4.630 3.854 3.353 4.160 . 0 0 "[ . 1 . 2]" 2
200 1 20 LEU H 1 21 CYS HB3 . . 5.500 5.030 4.927 5.182 . 0 0 "[ . 1 . 2]" 2
201 1 20 LEU H 1 42 PHE HB3 . . 5.500 4.101 3.273 4.756 . 0 0 "[ . 1 . 2]" 2
202 1 19 CYS H 1 20 LEU H . . 4.860 4.646 4.633 4.650 . 0 0 "[ . 1 . 2]" 2
203 1 20 LEU H 1 22 ASN H . . 4.730 4.002 3.915 4.148 . 0 0 "[ . 1 . 2]" 2
204 1 20 LEU MD1 1 21 CYS H . . 4.450 4.175 4.012 4.376 . 0 0 "[ . 1 . 2]" 2
205 1 21 CYS H 1 22 ASN H . . 3.390 2.666 2.636 2.698 . 0 0 "[ . 1 . 2]" 2
206 1 22 ASN H 1 23 GLN HG2 . . 5.050 4.715 4.524 4.855 . 0 0 "[ . 1 . 2]" 2
207 1 17 THR MG 1 23 GLN H . . 4.390 3.643 3.291 3.897 . 0 0 "[ . 1 . 2]" 2
208 1 17 THR HA 1 23 GLN H . . 4.940 4.284 4.080 4.571 . 0 0 "[ . 1 . 2]" 2
209 1 22 ASN H 1 23 GLN H . . 3.420 2.813 2.562 3.004 . 0 0 "[ . 1 . 2]" 2
210 1 18 TYR H 1 23 GLN H . . 4.350 3.697 3.361 4.175 . 0 0 "[ . 1 . 2]" 2
211 1 17 THR HB 1 24 VAL H . . 5.500 5.215 4.766 5.466 . 0 0 "[ . 1 . 2]" 2
212 1 17 THR HA 1 24 VAL H . . 5.150 4.698 4.284 4.963 . 0 0 "[ . 1 . 2]" 2
213 1 24 VAL H 1 43 HIS HE1 . . 5.290 4.730 4.188 5.041 . 0 0 "[ . 1 . 2]" 2
214 1 24 VAL H 1 25 SER H . . 5.400 4.592 4.532 4.636 . 0 0 "[ . 1 . 2]" 2
215 1 18 TYR H 1 25 SER H . . 5.050 4.781 4.222 5.055 0.005 11 0 "[ . 1 . 2]" 2
216 1 18 TYR HB2 1 25 SER H . . 5.500 5.074 4.516 5.434 . 0 0 "[ . 1 . 2]" 2
217 1 26 TYR H 1 29 MET HG2 . . 4.640 4.520 4.270 4.733 0.093 15 0 "[ . 1 . 2]" 2
218 1 26 TYR H 1 27 GLY H . . 4.950 3.644 1.799 4.430 . 0 0 "[ . 1 . 2]" 2
219 1 25 SER H 1 26 TYR H . . 4.770 4.550 4.379 4.632 . 0 0 "[ . 1 . 2]" 2
220 1 28 GLU HB2 1 29 MET H . . 4.380 3.920 3.019 4.394 0.014 14 0 "[ . 1 . 2]" 2
221 1 29 MET H 1 44 PHE QE . . 4.700 3.065 2.774 3.535 . 0 0 "[ . 1 . 2]" 2
222 1 29 MET H 1 30 ILE H . . 4.950 4.391 4.313 4.446 . 0 0 "[ . 1 . 2]" 2
223 1 30 ILE H 1 43 HIS HA . . 5.150 4.327 3.886 4.880 . 0 0 "[ . 1 . 2]" 2
224 1 30 ILE H 1 44 PHE QD . . 4.830 3.887 3.598 4.196 . 0 0 "[ . 1 . 2]" 2
225 1 30 ILE H 1 41 TRP HE3 . . 4.690 4.010 3.477 4.437 . 0 0 "[ . 1 . 2]" 2
226 1 30 ILE MG 1 31 GLY H . . 4.200 3.928 3.843 4.016 . 0 0 "[ . 1 . 2]" 2
227 1 30 ILE H 1 31 GLY H . . 5.140 4.504 4.400 4.546 . 0 0 "[ . 1 . 2]" 2
228 1 32 CYS H 1 42 PHE QD . . 4.940 3.376 3.009 3.881 . 0 0 "[ . 1 . 2]" 2
229 1 32 CYS H 1 33 ASP H . . 5.310 4.372 2.728 4.609 . 0 0 "[ . 1 . 2]" 2
230 1 33 ASP H 1 58 TYR QD . . 5.330 4.311 3.447 5.191 . 0 0 "[ . 1 . 2]" 2
231 1 34 ASN H 1 34 ASN HD21 . . 5.030 4.737 4.605 4.832 . 0 0 "[ . 1 . 2]" 2
232 1 34 ASN H 1 35 GLU H . . 5.120 4.307 4.025 4.503 . 0 0 "[ . 1 . 2]" 2
233 1 34 ASN HB2 1 35 GLU H . . 4.970 4.469 3.879 4.570 . 0 0 "[ . 1 . 2]" 2
234 1 34 ASN HD22 1 36 GLN H . . 4.710 3.962 2.872 4.333 . 0 0 "[ . 1 . 2]" 2
235 1 34 ASN HD21 1 36 GLN H . . 4.910 4.539 3.868 4.918 0.008 15 0 "[ . 1 . 2]" 2
236 1 36 GLN HB2 1 37 CYS H . . 4.740 3.272 2.567 4.100 . 0 0 "[ . 1 . 2]" 2
237 1 36 GLN QG 1 37 CYS H . . 5.080 4.040 2.238 4.657 . 0 0 "[ . 1 . 2]" 2
238 1 36 GLN HB3 1 37 CYS H . . 4.740 3.206 2.387 4.093 . 0 0 "[ . 1 . 2]" 2
239 1 34 ASN HD22 1 37 CYS H . . 5.210 3.038 2.369 3.755 . 0 0 "[ . 1 . 2]" 2
240 1 34 ASN H 1 37 CYS H . . 5.500 5.252 4.811 5.453 . 0 0 "[ . 1 . 2]" 2
241 1 34 ASN HD21 1 37 CYS H . . 5.080 2.572 2.120 3.272 . 0 0 "[ . 1 . 2]" 2
242 1 35 GLU H 1 37 CYS H . . 4.880 4.224 3.782 4.507 . 0 0 "[ . 1 . 2]" 2
243 1 37 CYS H 1 40 GLU H . . 5.500 5.493 5.393 5.551 0.051 19 0 "[ . 1 . 2]" 2
244 1 39 ILE H 1 39 ILE HG12 . . 4.400 3.861 3.712 4.041 . 0 0 "[ . 1 . 2]" 2
245 1 39 ILE H 1 42 PHE HZ . . 4.850 4.451 4.050 4.723 . 0 0 "[ . 1 . 2]" 2
246 1 40 GLU H 1 42 PHE HZ . . 5.060 3.758 3.322 4.212 . 0 0 "[ . 1 . 2]" 2
247 1 39 ILE HB 1 41 TRP H . . 5.130 3.111 2.992 3.274 . 0 0 "[ . 1 . 2]" 2
248 1 30 ILE MD 1 42 PHE H . . 4.330 2.538 1.999 3.417 . 0 0 "[ . 1 . 2]" 2
249 1 41 TRP HB2 1 42 PHE H . . 4.640 4.385 4.330 4.430 . 0 0 "[ . 1 . 2]" 2
250 1 29 MET ME 1 43 HIS H . . 4.280 3.006 2.498 3.357 . 0 0 "[ . 1 . 2]" 2
251 1 42 PHE QD 1 43 HIS H . . 4.650 4.039 3.761 4.329 . 0 0 "[ . 1 . 2]" 2
252 1 29 MET HG3 1 44 PHE H . . 5.260 4.640 4.261 5.262 0.002 14 0 "[ . 1 . 2]" 2
253 1 30 ILE H 1 44 PHE H . . 5.500 5.459 5.195 5.520 0.020 5 0 "[ . 1 . 2]" 2
254 1 45 SER H 1 49 LEU HB2 . . 5.100 4.731 4.521 5.035 . 0 0 "[ . 1 . 2]" 2
255 1 44 PHE QD 1 45 SER H . . 4.980 4.248 4.167 4.362 . 0 0 "[ . 1 . 2]" 2
256 1 43 HIS HA 1 46 CYS H . . 5.130 4.865 4.605 5.110 . 0 0 "[ . 1 . 2]" 2
257 1 46 CYS H 1 48 SER H . . 4.260 4.044 3.825 4.168 . 0 0 "[ . 1 . 2]" 2
258 1 44 PHE H 1 46 CYS H . . 5.500 3.893 3.696 4.255 . 0 0 "[ . 1 . 2]" 2
259 1 43 HIS H 1 46 CYS H . . 4.960 4.847 4.633 4.972 0.012 4 0 "[ . 1 . 2]" 2
260 1 47 VAL H 1 48 SER H . . 3.200 2.851 2.725 2.972 . 0 0 "[ . 1 . 2]" 2
261 1 45 SER H 1 47 VAL H . . 5.230 4.481 4.349 4.629 . 0 0 "[ . 1 . 2]" 2
262 1 47 VAL MG1 1 48 SER H . . 4.560 4.300 4.250 4.349 . 0 0 "[ . 1 . 2]" 2
263 1 49 LEU H 1 49 LEU MD1 . . 4.790 4.179 4.027 4.299 . 0 0 "[ . 1 . 2]" 2
264 1 48 SER H 1 49 LEU H . . 3.560 2.990 2.832 3.162 . 0 0 "[ . 1 . 2]" 2
265 1 49 LEU H 1 50 THR H . . 5.490 4.331 2.351 4.506 . 0 0 "[ . 1 . 2]" 2
266 1 45 SER H 1 49 LEU H . . 5.500 4.291 4.153 4.650 . 0 0 "[ . 1 . 2]" 2
267 1 51 TYR H 1 52 LYS H . . 5.500 4.339 4.258 4.395 . 0 0 "[ . 1 . 2]" 2
268 1 44 PHE QE 1 52 LYS H . . 4.690 2.407 2.191 2.944 . 0 0 "[ . 1 . 2]" 2
269 1 53 PRO HB2 1 54 LYS H . . 4.420 3.513 2.242 3.956 . 0 0 "[ . 1 . 2]" 2
270 1 57 TRP H 1 58 TYR H . . 4.850 4.200 3.950 4.369 . 0 0 "[ . 1 . 2]" 2
271 1 33 ASP H 1 57 TRP H . . 4.770 3.604 3.191 4.772 0.002 13 0 "[ . 1 . 2]" 2
272 1 57 TRP HB3 1 58 TYR H . . 4.780 4.254 4.056 4.393 . 0 0 "[ . 1 . 2]" 2
273 1 32 CYS HB2 1 59 CYS H . . 4.020 2.741 2.401 3.225 . 0 0 "[ . 1 . 2]" 2
274 1 59 CYS H 1 62 CYS HB2 . . 4.310 3.841 3.583 3.947 . 0 0 "[ . 1 . 2]" 2
275 1 32 CYS HA 1 59 CYS H . . 4.830 3.004 2.401 3.266 . 0 0 "[ . 1 . 2]" 2
276 1 58 TYR H 1 59 CYS H . . 4.860 4.343 4.279 4.468 . 0 0 "[ . 1 . 2]" 2
277 1 59 CYS HA 1 61 LYS H . . 4.990 3.877 3.838 4.030 . 0 0 "[ . 1 . 2]" 2
278 1 61 LYS QG 1 62 CYS H . . 5.040 4.456 4.379 4.517 . 0 0 "[ . 1 . 2]" 2
279 1 61 LYS H 1 62 CYS H . . 3.150 2.209 2.123 2.472 . 0 0 "[ . 1 . 2]" 2
280 1 58 TYR HB2 1 63 ARG H . . 4.800 4.444 4.150 4.633 . 0 0 "[ . 1 . 2]" 2
281 1 58 TYR HB3 1 63 ARG H . . 4.420 3.424 3.086 3.731 . 0 0 "[ . 1 . 2]" 2
282 1 62 CYS HB3 1 63 ARG H . . 4.050 3.492 3.191 3.832 . 0 0 "[ . 1 . 2]" 2
283 1 63 ARG H 1 64 GLY H . . 3.950 2.729 2.436 2.913 . 0 0 "[ . 1 . 2]" 2
284 1 62 CYS H 1 63 ARG H . . 3.090 2.305 2.183 2.421 . 0 0 "[ . 1 . 2]" 2
285 1 63 ARG HB2 1 64 GLY H . . 4.620 4.170 3.914 4.505 . 0 0 "[ . 1 . 2]" 2
286 1 66 SER QB 1 67 GLY H . . 4.700 3.159 2.265 3.748 . 0 0 "[ . 1 . 2]" 2
287 1 40 GLU HB3 1 41 TRP HE1 . . 5.210 4.225 3.562 4.639 . 0 0 "[ . 1 . 2]" 2
288 1 40 GLU HB2 1 41 TRP HE1 . . 5.210 4.463 4.016 5.217 0.007 7 0 "[ . 1 . 2]" 2
289 1 49 LEU MD1 1 57 TRP HE1 . . 4.420 2.514 2.076 3.184 . 0 0 "[ . 1 . 2]" 2
290 1 20 LEU H 1 42 PHE QE . . 4.440 3.507 2.989 4.245 . 0 0 "[ . 1 . 2]" 2
291 1 30 ILE MG 1 53 PRO HG2 . . 4.040 3.837 3.242 4.038 . 0 0 "[ . 1 . 2]" 2
292 1 30 ILE HG13 1 30 ILE MG . . 3.340 2.415 2.303 2.680 . 0 0 "[ . 1 . 2]" 2
293 1 30 ILE MD 1 30 ILE MG . . 3.390 1.883 1.780 1.944 . 0 0 "[ . 1 . 2]" 2
294 1 30 ILE HG12 1 30 ILE MG . . 3.320 3.184 3.130 3.201 . 0 0 "[ . 1 . 2]" 2
295 1 30 ILE MG 1 49 LEU MD1 . . 3.700 2.251 2.029 2.552 . 0 0 "[ . 1 . 2]" 2
296 1 30 ILE H 1 30 ILE MD . . 3.320 1.775 1.690 1.870 . 0 0 "[ . 1 . 2]" 2
297 1 30 ILE MD 1 42 PHE HB2 . . 3.450 2.093 1.835 2.522 . 0 0 "[ . 1 . 2]" 2
298 1 30 ILE MD 1 49 LEU MD1 . . 3.470 2.556 1.770 3.077 . 0 0 "[ . 1 . 2]" 2
299 1 30 ILE HB 1 30 ILE MD . . 3.300 3.210 3.154 3.230 . 0 0 "[ . 1 . 2]" 2
300 1 30 ILE MD 1 47 VAL MG2 . . 3.450 2.404 1.926 2.805 . 0 0 "[ . 1 . 2]" 2
301 1 19 CYS H 1 29 MET ME . . 3.640 2.844 2.558 3.130 . 0 0 "[ . 1 . 2]" 2
302 1 25 SER HA 1 29 MET ME . . 3.440 2.878 2.388 3.231 . 0 0 "[ . 1 . 2]" 2
303 1 19 CYS HA 1 29 MET ME . . 4.010 3.696 3.481 3.899 . 0 0 "[ . 1 . 2]" 2
304 1 18 TYR HB3 1 29 MET ME . . 3.770 3.561 3.250 3.750 . 0 0 "[ . 1 . 2]" 2
305 1 29 MET ME 1 41 TRP HB3 . . 3.380 2.165 1.928 2.852 . 0 0 "[ . 1 . 2]" 2
306 1 19 CYS HB2 1 29 MET ME . . 3.610 2.491 2.319 2.915 . 0 0 "[ . 1 . 2]" 2
307 1 29 MET ME 1 29 MET HG2 . . 3.270 2.165 2.006 2.339 . 0 0 "[ . 1 . 2]" 2
308 1 29 MET ME 1 29 MET HG3 . . 3.360 3.225 3.122 3.339 . 0 0 "[ . 1 . 2]" 2
309 1 18 TYR HB2 1 29 MET ME . . 3.390 2.569 2.353 2.717 . 0 0 "[ . 1 . 2]" 2
310 1 29 MET HB3 1 29 MET ME . . 3.200 2.859 2.379 3.199 . 0 0 "[ . 1 . 2]" 2
311 1 29 MET HB2 1 29 MET ME . . 4.110 3.741 3.320 4.018 . 0 0 "[ . 1 . 2]" 2
312 1 29 MET ME 1 43 HIS HD2 . . 3.760 2.683 2.150 3.476 . 0 0 "[ . 1 . 2]" 2
313 1 39 ILE MD 1 42 PHE HZ . . 3.760 2.174 1.867 2.555 . 0 0 "[ . 1 . 2]" 2
314 1 20 LEU HA 1 39 ILE MD . . 4.190 3.909 3.319 4.199 0.009 20 0 "[ . 1 . 2]" 2
315 1 39 ILE HB 1 39 ILE MD . . 3.250 2.328 2.197 2.432 . 0 0 "[ . 1 . 2]" 2
316 1 55 GLY HA3 1 56 LYS H . . 3.410 2.253 2.135 2.822 . 0 0 "[ . 1 . 2]" 2
317 1 20 LEU HB3 1 20 LEU MD2 . . 3.520 2.110 2.010 2.259 . 0 0 "[ . 1 . 2]" 2
318 1 52 LYS QE 1 52 LYS HG2 . . 3.710 2.507 2.211 3.498 . 0 0 "[ . 1 . 2]" 2
319 1 52 LYS QE 1 52 LYS HG3 . . 3.710 2.717 2.244 3.438 . 0 0 "[ . 1 . 2]" 2
320 1 30 ILE HB 1 30 ILE HG12 . . 2.720 2.507 2.405 2.672 . 0 0 "[ . 1 . 2]" 2
321 1 20 LEU MD2 1 61 LYS QE . . 4.000 2.860 1.787 3.977 . 0 0 "[ . 1 . 2]" 2
322 1 33 ASP H 1 33 ASP HB2 . . 3.750 2.402 2.185 3.484 . 0 0 "[ . 1 . 2]" 2
323 1 33 ASP H 1 33 ASP HB3 . . 3.750 2.983 2.440 3.912 0.162 13 0 "[ . 1 . 2]" 2
324 1 39 ILE HB 1 42 PHE HZ . . 3.320 2.284 1.993 2.716 . 0 0 "[ . 1 . 2]" 2
325 1 39 ILE HB 1 40 GLU H . . 3.840 2.288 2.076 2.421 . 0 0 "[ . 1 . 2]" 2
326 1 14 ASN HB3 1 15 GLU H . . 4.780 3.568 2.165 4.668 . 0 0 "[ . 1 . 2]" 2
327 1 15 GLU HA 1 15 GLU QG . . 3.810 2.393 2.152 2.767 . 0 0 "[ . 1 . 2]" 2
328 1 36 GLN HA 1 36 GLN QG . . 3.310 2.485 2.210 3.338 0.028 9 0 "[ . 1 . 2]" 2
329 1 24 VAL HB 1 25 SER H . . 3.290 2.881 2.239 3.277 . 0 0 "[ . 1 . 2]" 2
330 1 44 PHE QE 1 52 LYS QB . . 4.010 3.544 3.123 3.995 . 0 0 "[ . 1 . 2]" 2
331 1 52 LYS H 1 52 LYS QB . . 3.450 2.191 2.111 2.344 . 0 0 "[ . 1 . 2]" 2
332 1 32 CYS H 1 32 CYS HB2 . . 3.610 2.556 2.396 2.693 . 0 0 "[ . 1 . 2]" 2
333 1 61 LYS H 1 61 LYS HB2 . . 3.500 2.267 2.211 2.423 . 0 0 "[ . 1 . 2]" 2
334 1 25 SER H 1 25 SER QB . . 3.240 2.286 2.203 2.646 . 0 0 "[ . 1 . 2]" 2
335 1 18 TYR QD 1 25 SER QB . . 3.890 3.752 3.149 3.899 0.009 15 0 "[ . 1 . 2]" 2
336 1 18 TYR QE 1 25 SER QB . . 4.380 4.140 3.738 4.384 0.004 15 0 "[ . 1 . 2]" 2
337 1 25 SER QB 1 29 MET ME . . 3.610 3.111 2.586 3.513 . 0 0 "[ . 1 . 2]" 2
338 1 62 CYS H 1 62 CYS HB3 . . 3.870 3.624 3.595 3.652 . 0 0 "[ . 1 . 2]" 2
339 1 57 TRP HB2 1 57 TRP HD1 . . 3.840 2.656 2.617 2.685 . 0 0 "[ . 1 . 2]" 2
340 1 47 VAL HB 1 57 TRP HZ2 . . 3.430 2.175 2.002 2.691 . 0 0 "[ . 1 . 2]" 2
341 1 16 PRO HA 1 17 THR H . . 2.850 2.504 2.387 2.657 . 0 0 "[ . 1 . 2]" 2
342 1 39 ILE HA 1 39 ILE HG13 . . 3.640 2.950 2.838 2.998 . 0 0 "[ . 1 . 2]" 2
343 1 39 ILE HA 1 39 ILE HG12 . . 3.410 2.635 2.516 2.742 . 0 0 "[ . 1 . 2]" 2
344 1 39 ILE HA 1 39 ILE MG . . 3.330 2.373 2.255 2.438 . 0 0 "[ . 1 . 2]" 2
345 1 40 GLU HA 1 40 GLU HG2 . . 3.760 2.453 2.156 3.638 . 0 0 "[ . 1 . 2]" 2
346 1 40 GLU HA 1 40 GLU HG3 . . 3.760 2.949 2.404 3.724 . 0 0 "[ . 1 . 2]" 2
347 1 50 THR HA 1 50 THR MG . . 3.310 2.323 2.181 2.455 . 0 0 "[ . 1 . 2]" 2
348 1 40 GLU HB2 1 41 TRP H . . 4.520 4.291 4.198 4.517 . 0 0 "[ . 1 . 2]" 2
349 1 24 VAL HA 1 24 VAL MG1 . . 3.160 2.303 2.160 2.444 . 0 0 "[ . 1 . 2]" 2
350 1 48 SER H 1 48 SER HB3 . . 4.170 3.658 3.450 4.035 . 0 0 "[ . 1 . 2]" 2
351 1 54 LYS HA 1 54 LYS QD . . 3.760 3.220 1.993 3.940 0.180 5 0 "[ . 1 . 2]" 2
352 1 44 PHE HA 1 44 PHE QD . . 3.490 2.778 2.669 2.950 . 0 0 "[ . 1 . 2]" 2
353 1 44 PHE HA 1 47 VAL MG2 . . 3.390 2.037 1.892 2.209 . 0 0 "[ . 1 . 2]" 2
354 1 44 PHE HA 1 49 LEU HB2 . . 3.650 2.068 1.998 2.196 . 0 0 "[ . 1 . 2]" 2
355 1 30 ILE HA 1 30 ILE HG12 . . 4.020 3.605 3.507 3.684 . 0 0 "[ . 1 . 2]" 2
356 1 30 ILE HG12 1 31 GLY HA2 . . 4.430 3.863 3.610 4.019 . 0 0 "[ . 1 . 2]" 2
357 1 11 ILE HA 1 11 ILE MG . . 3.630 2.396 2.301 2.478 . 0 0 "[ . 1 . 2]" 2
358 1 11 ILE HA 1 12 ASP H . . 3.100 2.160 2.139 2.254 . 0 0 "[ . 1 . 2]" 2
359 1 30 ILE HA 1 30 ILE HG13 . . 4.240 4.228 4.155 4.253 0.013 15 0 "[ . 1 . 2]" 2
360 1 32 CYS HA 1 33 ASP H . . 3.430 2.205 2.138 3.173 . 0 0 "[ . 1 . 2]" 2
361 1 32 CYS HA 1 57 TRP HE3 . . 3.590 2.204 2.021 2.459 . 0 0 "[ . 1 . 2]" 2
362 1 36 GLN H 1 36 GLN HB2 . . 3.940 2.475 2.171 3.594 . 0 0 "[ . 1 . 2]" 2
363 1 20 LEU HG 1 42 PHE QD . . 3.630 2.362 2.003 2.664 . 0 0 "[ . 1 . 2]" 2
364 1 17 THR HA 1 24 VAL HA . . 3.300 3.122 2.803 3.297 . 0 0 "[ . 1 . 2]" 2
365 1 17 THR HA 1 17 THR MG . . 3.070 2.383 2.293 2.450 . 0 0 "[ . 1 . 2]" 2
366 1 37 CYS HA 1 38 PRO HD2 . . 3.070 1.940 1.912 1.969 . 0 0 "[ . 1 . 2]" 2
367 1 37 CYS HA 1 38 PRO HD3 . . 3.070 2.388 2.330 2.495 . 0 0 "[ . 1 . 2]" 2
368 1 35 GLU HA 1 35 GLU QG . . 3.530 2.572 2.176 3.439 . 0 0 "[ . 1 . 2]" 2
369 1 61 LYS HA 1 61 LYS QD . . 4.010 3.749 2.370 4.045 0.035 17 0 "[ . 1 . 2]" 2
370 1 61 LYS HA 1 61 LYS QG . . 3.480 2.218 2.104 2.390 . 0 0 "[ . 1 . 2]" 2
371 1 59 CYS HA 1 60 PRO HD2 . . 3.570 2.419 2.394 2.457 . 0 0 "[ . 1 . 2]" 2
372 1 20 LEU HB2 1 20 LEU MD1 . . 3.180 2.135 2.004 2.213 . 0 0 "[ . 1 . 2]" 2
373 1 20 LEU HB3 1 20 LEU MD1 . . 3.180 2.621 2.551 2.689 . 0 0 "[ . 1 . 2]" 2
374 1 60 PRO HA 1 63 ARG QG . . 3.870 2.027 1.819 3.336 . 0 0 "[ . 1 . 2]" 2
375 1 18 TYR HA 1 18 TYR QD . . 3.380 3.127 2.901 3.221 . 0 0 "[ . 1 . 2]" 2
376 1 20 LEU HA 1 20 LEU MD2 . . 3.130 2.518 2.283 2.652 . 0 0 "[ . 1 . 2]" 2
377 1 63 ARG HA 1 63 ARG QG . . 3.710 3.345 2.838 3.460 . 0 0 "[ . 1 . 2]" 2
378 1 52 LYS HA 1 52 LYS HG3 . . 4.180 3.330 2.752 3.651 . 0 0 "[ . 1 . 2]" 2
379 1 28 GLU HA 1 28 GLU HG3 . . 4.010 3.265 2.285 4.233 0.223 9 0 "[ . 1 . 2]" 2
380 1 41 TRP HA 1 42 PHE H . . 3.240 2.143 2.139 2.155 . 0 0 "[ . 1 . 2]" 2
381 1 41 TRP HA 1 41 TRP HE3 . . 3.790 2.322 2.210 2.491 . 0 0 "[ . 1 . 2]" 2
382 1 56 LYS HA 1 57 TRP H . . 3.020 2.246 2.147 2.528 . 0 0 "[ . 1 . 2]" 2
383 1 56 LYS HA 1 56 LYS QG . . 3.740 2.962 2.328 3.430 . 0 0 "[ . 1 . 2]" 2
384 1 20 LEU MD2 1 39 ILE MD . . 3.800 3.108 2.820 3.392 . 0 0 "[ . 1 . 2]" 2
385 1 20 LEU HB2 1 20 LEU MD2 . . 3.520 3.131 3.112 3.161 . 0 0 "[ . 1 . 2]" 2
386 1 49 LEU HA 1 49 LEU MD2 . . 3.290 2.018 1.891 2.167 . 0 0 "[ . 1 . 2]" 2
387 1 49 LEU HB2 1 49 LEU MD2 . . 3.460 3.182 3.174 3.194 . 0 0 "[ . 1 . 2]" 2
388 1 44 PHE QE 1 52 LYS HA . . 3.950 2.761 2.386 3.090 . 0 0 "[ . 1 . 2]" 2
389 1 42 PHE QD 1 47 VAL MG1 . . 3.700 3.543 3.377 3.709 0.009 4 0 "[ . 1 . 2]" 2
390 1 47 VAL MG1 1 57 TRP HH2 . . 3.710 2.329 2.150 2.641 . 0 0 "[ . 1 . 2]" 2
391 1 47 VAL HA 1 47 VAL MG1 . . 3.240 2.337 2.197 2.432 . 0 0 "[ . 1 . 2]" 2
392 1 47 VAL MG1 1 60 PRO HD3 . . 3.550 2.687 2.315 3.233 . 0 0 "[ . 1 . 2]" 2
393 1 42 PHE HB3 1 47 VAL MG1 . . 3.400 2.435 2.163 2.702 . 0 0 "[ . 1 . 2]" 2
394 1 20 LEU MD1 1 47 VAL MG1 . . 3.790 3.090 2.419 3.584 . 0 0 "[ . 1 . 2]" 2
395 1 47 VAL MG1 1 57 TRP HZ2 . . 3.690 2.255 1.988 2.955 . 0 0 "[ . 1 . 2]" 2
396 1 17 THR HB 1 22 ASN HA . . 3.750 2.103 1.983 2.314 . 0 0 "[ . 1 . 2]" 2
397 1 17 THR H 1 17 THR MG . . 3.790 2.852 2.605 3.011 . 0 0 "[ . 1 . 2]" 2
398 1 17 THR MG 1 23 GLN HA . . 3.880 2.725 2.163 3.226 . 0 0 "[ . 1 . 2]" 2
399 1 17 THR MG 1 22 ASN HA . . 3.850 3.282 2.980 3.473 . 0 0 "[ . 1 . 2]" 2
400 1 24 VAL H 1 24 VAL MG1 . . 3.180 2.323 2.139 2.655 . 0 0 "[ . 1 . 2]" 2
401 1 15 GLU QB 1 24 VAL MG1 . . 3.580 2.059 1.778 3.419 . 0 0 "[ . 1 . 2]" 2
402 1 29 MET HA 1 30 ILE H . . 3.180 2.292 2.184 2.462 . 0 0 "[ . 1 . 2]" 2
403 1 29 MET HA 1 43 HIS HA . . 3.780 2.810 2.510 3.132 . 0 0 "[ . 1 . 2]" 2
404 1 12 ASP HA 1 13 PRO QD . . 2.720 1.959 1.853 2.080 . 0 0 "[ . 1 . 2]" 2
405 1 15 GLU HA 1 16 PRO HD2 . . 2.980 2.112 1.912 2.383 . 0 0 "[ . 1 . 2]" 2
406 1 15 GLU HA 1 16 PRO HD3 . . 2.980 2.281 2.251 2.472 . 0 0 "[ . 1 . 2]" 2
407 1 15 GLU QG 1 16 PRO HD3 . . 4.260 3.819 3.186 4.268 0.008 5 0 "[ . 1 . 2]" 2
408 1 52 LYS HA 1 53 PRO HD2 . . 2.940 1.951 1.917 2.032 . 0 0 "[ . 1 . 2]" 2
409 1 52 LYS QD 1 53 PRO HD2 . . 3.480 2.378 1.959 3.037 . 0 0 "[ . 1 . 2]" 2
410 1 49 LEU MD2 1 53 PRO HD2 . . 3.940 3.739 3.459 3.978 0.038 16 0 "[ . 1 . 2]" 2
411 1 30 ILE MG 1 53 PRO HD2 . . 3.680 2.625 2.397 2.901 . 0 0 "[ . 1 . 2]" 2
412 1 49 LEU MD1 1 53 PRO HD2 . . 3.990 3.307 3.095 3.468 . 0 0 "[ . 1 . 2]" 2
413 1 52 LYS HA 1 53 PRO HD3 . . 3.080 2.370 2.286 2.447 . 0 0 "[ . 1 . 2]" 2
414 1 30 ILE MG 1 53 PRO HD3 . . 3.390 3.207 2.787 3.389 . 0 0 "[ . 1 . 2]" 2
415 1 39 ILE MG 1 42 PHE HZ . . 3.730 2.792 2.476 3.191 . 0 0 "[ . 1 . 2]" 2
416 1 19 CYS HA 1 39 ILE MG . . 3.440 3.165 2.959 3.375 . 0 0 "[ . 1 . 2]" 2
417 1 39 ILE MG 1 41 TRP H . . 3.810 1.979 1.862 2.162 . 0 0 "[ . 1 . 2]" 2
418 1 18 TYR QD 1 39 ILE MG . . 3.220 2.802 2.409 3.022 . 0 0 "[ . 1 . 2]" 2
419 1 39 ILE HG12 1 39 ILE MG . . 3.150 2.257 2.142 2.400 . 0 0 "[ . 1 . 2]" 2
420 1 39 ILE MD 1 39 ILE MG . . 3.030 2.129 1.943 2.346 . 0 0 "[ . 1 . 2]" 2
421 1 59 CYS HB2 1 60 PRO HD2 . . 3.150 1.948 1.898 1.989 . 0 0 "[ . 1 . 2]" 2
422 1 59 CYS HB3 1 60 PRO HD2 . . 3.570 3.519 3.434 3.569 . 0 0 "[ . 1 . 2]" 2
423 1 24 VAL H 1 24 VAL MG2 . . 3.120 2.087 1.950 2.268 . 0 0 "[ . 1 . 2]" 2
424 1 47 VAL MG2 1 49 LEU HG . . 3.300 1.998 1.947 2.091 . 0 0 "[ . 1 . 2]" 2
425 1 47 VAL MG2 1 49 LEU HB3 . . 4.330 3.373 3.260 3.554 . 0 0 "[ . 1 . 2]" 2
426 1 47 VAL MG2 1 49 LEU MD2 . . 4.610 3.430 3.361 3.518 . 0 0 "[ . 1 . 2]" 2
427 1 47 VAL MG2 1 57 TRP HZ2 . . 3.490 2.741 2.290 3.275 . 0 0 "[ . 1 . 2]" 2
428 1 24 VAL MG2 1 26 TYR HB2 . . 4.900 4.575 4.202 4.929 0.029 14 0 "[ . 1 . 2]" 2
429 1 24 VAL MG2 1 26 TYR HB3 . . 4.900 3.210 2.685 3.483 . 0 0 "[ . 1 . 2]" 2
430 1 9 PHE HB3 1 10 ALA H . . 4.990 3.722 2.333 4.467 . 0 0 "[ . 1 . 2]" 2
431 1 11 ILE HB 1 12 ASP H . . 4.690 4.341 4.186 4.478 . 0 0 "[ . 1 . 2]" 2
432 1 11 ILE MG 1 12 ASP H . . 4.380 2.902 2.390 3.346 . 0 0 "[ . 1 . 2]" 2
433 1 11 ILE H 1 11 ILE MG . . 4.710 3.778 3.753 3.844 . 0 0 "[ . 1 . 2]" 2
434 1 11 ILE HA 1 11 ILE MD . . 4.490 3.564 1.965 3.888 . 0 0 "[ . 1 . 2]" 2
435 1 12 ASP QB 1 13 PRO QG . . 4.930 4.074 3.594 4.795 . 0 0 "[ . 1 . 2]" 2
436 1 11 ILE MG 1 13 PRO HA . . 5.410 4.339 3.779 5.142 . 0 0 "[ . 1 . 2]" 2
437 1 13 PRO HA 1 15 GLU H . . 5.260 4.414 3.524 4.962 . 0 0 "[ . 1 . 2]" 2
438 1 13 PRO QD 1 14 ASN H . . 3.900 2.772 2.607 3.103 . 0 0 "[ . 1 . 2]" 2
439 1 11 ILE MG 1 13 PRO QD . . 5.000 4.088 3.062 4.962 . 0 0 "[ . 1 . 2]" 2
440 1 12 ASP QB 1 13 PRO QD . . 4.210 2.607 1.974 3.387 . 0 0 "[ . 1 . 2]" 2
441 1 13 PRO QG 1 14 ASN H . . 4.570 2.757 1.895 3.485 . 0 0 "[ . 1 . 2]" 2
442 1 38 PRO HG3 1 39 ILE H . . 4.900 4.497 4.258 4.627 . 0 0 "[ . 1 . 2]" 2
443 1 38 PRO HG3 1 39 ILE HG13 . . 4.490 4.251 4.068 4.350 . 0 0 "[ . 1 . 2]" 2
444 1 12 ASP QB 1 15 GLU QB . . 5.020 3.766 2.190 4.855 . 0 0 "[ . 1 . 2]" 2
445 1 14 ASN H 1 15 GLU QB . . 5.500 4.526 3.910 4.917 . 0 0 "[ . 1 . 2]" 2
446 1 15 GLU QG 1 24 VAL MG1 . . 3.750 2.970 1.799 3.767 0.017 14 0 "[ . 1 . 2]" 2
447 1 15 GLU QG 1 16 PRO HD2 . . 4.260 2.671 1.816 3.542 . 0 0 "[ . 1 . 2]" 2
448 1 16 PRO HA 1 17 THR MG . . 4.100 3.360 3.263 3.530 . 0 0 "[ . 1 . 2]" 2
449 1 43 HIS HB2 1 46 CYS HA . . 5.310 4.635 4.485 4.789 . 0 0 "[ . 1 . 2]" 2
450 1 16 PRO HB3 1 17 THR H . . 4.030 3.337 3.192 3.470 . 0 0 "[ . 1 . 2]" 2
451 1 15 GLU HA 1 16 PRO HG2 . . 4.490 4.281 4.117 4.499 0.009 4 0 "[ . 1 . 2]" 2
452 1 16 PRO HG3 1 18 TYR QE . . 4.500 3.788 3.303 4.493 . 0 0 "[ . 1 . 2]" 2
453 1 15 GLU HA 1 16 PRO HG3 . . 4.490 4.347 4.314 4.461 . 0 0 "[ . 1 . 2]" 2
454 1 17 THR HA 1 18 TYR QD . . 4.090 2.969 2.607 3.566 . 0 0 "[ . 1 . 2]" 2
455 1 17 THR HA 1 25 SER H . . 5.060 4.508 4.005 5.048 . 0 0 "[ . 1 . 2]" 2
456 1 17 THR HB 1 23 GLN HA . . 4.250 3.880 3.513 4.142 . 0 0 "[ . 1 . 2]" 2
457 1 17 THR HB 1 22 ASN H . . 4.950 4.138 3.934 4.283 . 0 0 "[ . 1 . 2]" 2
458 1 17 THR HB 1 18 TYR HA . . 5.320 4.588 4.416 4.761 . 0 0 "[ . 1 . 2]" 2
459 1 18 TYR HB3 1 19 CYS HA . . 4.440 4.288 4.198 4.359 . 0 0 "[ . 1 . 2]" 2
460 1 19 CYS HA 1 42 PHE HA . . 3.770 2.633 2.215 2.971 . 0 0 "[ . 1 . 2]" 2
461 1 18 TYR HA 1 19 CYS HA . . 4.930 4.866 4.812 4.892 . 0 0 "[ . 1 . 2]" 2
462 1 19 CYS HA 1 42 PHE QD . . 3.960 2.367 2.001 3.096 . 0 0 "[ . 1 . 2]" 2
463 1 19 CYS HA 1 43 HIS H . . 5.040 3.941 3.548 4.212 . 0 0 "[ . 1 . 2]" 2
464 1 19 CYS HB3 1 42 PHE HA . . 4.970 4.326 4.061 4.584 . 0 0 "[ . 1 . 2]" 2
465 1 19 CYS HB3 1 43 HIS H . . 5.500 4.256 4.042 4.452 . 0 0 "[ . 1 . 2]" 2
466 1 19 CYS HB2 1 39 ILE MG . . 4.970 4.810 4.598 4.980 0.010 4 0 "[ . 1 . 2]" 2
467 1 18 TYR HB2 1 19 CYS HB2 . . 4.380 4.027 3.910 4.107 . 0 0 "[ . 1 . 2]" 2
468 1 19 CYS H 1 19 CYS HB2 . . 4.100 2.296 2.219 2.373 . 0 0 "[ . 1 . 2]" 2
469 1 19 CYS HB2 1 43 HIS HE1 . . 4.540 3.199 2.892 3.615 . 0 0 "[ . 1 . 2]" 2
470 1 19 CYS HB2 1 42 PHE QD . . 5.390 4.342 3.970 4.837 . 0 0 "[ . 1 . 2]" 2
471 1 19 CYS HB2 1 22 ASN H . . 5.080 4.896 4.698 5.157 0.077 15 0 "[ . 1 . 2]" 2
472 1 19 CYS HB2 1 20 LEU H . . 5.210 3.920 3.863 4.001 . 0 0 "[ . 1 . 2]" 2
473 1 20 LEU HA 1 39 ILE MG . . 5.500 4.968 4.444 5.341 . 0 0 "[ . 1 . 2]" 2
474 1 20 LEU HA 1 20 LEU HG . . 3.930 2.966 2.827 3.073 . 0 0 "[ . 1 . 2]" 2
475 1 20 LEU HG 1 39 ILE MG . . 5.380 4.698 4.217 5.083 . 0 0 "[ . 1 . 2]" 2
476 1 20 LEU HG 1 42 PHE QE . . 3.660 2.512 2.008 3.129 . 0 0 "[ . 1 . 2]" 2
477 1 20 LEU MD1 1 60 PRO HB2 . . 5.200 3.866 3.491 4.470 . 0 0 "[ . 1 . 2]" 2
478 1 20 LEU MD1 1 60 PRO HD2 . . 3.910 3.291 2.736 3.875 . 0 0 "[ . 1 . 2]" 2
479 1 20 LEU MD1 1 46 CYS HB3 . . 3.970 3.686 3.231 3.965 . 0 0 "[ . 1 . 2]" 2
480 1 20 LEU HA 1 20 LEU MD1 . . 4.390 3.965 3.924 3.986 . 0 0 "[ . 1 . 2]" 2
481 1 20 LEU MD1 1 42 PHE QE . . 4.540 3.722 3.375 4.284 . 0 0 "[ . 1 . 2]" 2
482 1 20 LEU MD1 1 42 PHE QD . . 4.150 3.284 2.905 3.546 . 0 0 "[ . 1 . 2]" 2
483 1 20 LEU MD2 1 39 ILE MG . . 4.840 4.438 4.181 4.789 . 0 0 "[ . 1 . 2]" 2
484 1 20 LEU MD2 1 61 LYS QG . . 3.990 2.124 1.675 2.687 . 0 0 "[ . 1 . 2]" 2
485 1 20 LEU MD2 1 61 LYS QD . . 4.140 2.503 1.787 3.815 . 0 0 "[ . 1 . 2]" 2
486 1 20 LEU MD2 1 42 PHE QE . . 3.740 2.408 2.008 2.777 . 0 0 "[ . 1 . 2]" 2
487 1 20 LEU MD2 1 42 PHE QD . . 4.290 3.653 2.944 3.963 . 0 0 "[ . 1 . 2]" 2
488 1 20 LEU H 1 20 LEU MD2 . . 4.850 3.499 3.342 3.708 . 0 0 "[ . 1 . 2]" 2
489 1 20 LEU MD2 1 42 PHE HZ . . 5.070 3.928 3.384 4.402 . 0 0 "[ . 1 . 2]" 2
490 1 20 LEU MD2 1 60 PRO HD2 . . 4.900 4.118 3.030 4.801 . 0 0 "[ . 1 . 2]" 2
491 1 21 CYS HB2 1 23 GLN HG2 . . 3.920 3.383 3.259 3.594 . 0 0 "[ . 1 . 2]" 2
492 1 21 CYS HB2 1 23 GLN HG3 . . 3.980 3.505 3.272 3.723 . 0 0 "[ . 1 . 2]" 2
493 1 18 TYR H 1 22 ASN HA . . 5.100 4.042 3.640 4.661 . 0 0 "[ . 1 . 2]" 2
494 1 23 GLN HG3 1 24 VAL MG2 . . 5.500 5.366 5.250 5.526 0.026 3 0 "[ . 1 . 2]" 2
495 1 21 CYS HB3 1 23 GLN HG3 . . 4.880 4.759 4.550 4.884 0.004 18 0 "[ . 1 . 2]" 2
496 1 21 CYS HB3 1 23 GLN HG2 . . 4.940 4.849 4.604 4.948 0.008 16 0 "[ . 1 . 2]" 2
497 1 23 GLN HA 1 23 GLN HG3 . . 4.100 3.688 3.658 3.711 . 0 0 "[ . 1 . 2]" 2
498 1 23 GLN HA 1 23 GLN HG2 . . 3.930 2.673 2.590 2.747 . 0 0 "[ . 1 . 2]" 2
499 1 23 GLN H 1 23 GLN HG3 . . 4.450 4.284 4.178 4.334 . 0 0 "[ . 1 . 2]" 2
500 1 23 GLN HG2 1 24 VAL H . . 4.550 4.520 4.402 4.567 0.017 15 0 "[ . 1 . 2]" 2
501 1 23 GLN HG3 1 24 VAL H . . 4.810 4.743 4.416 4.827 0.017 19 0 "[ . 1 . 2]" 2
502 1 24 VAL HA 1 25 SER QB . . 4.770 4.218 4.102 4.366 . 0 0 "[ . 1 . 2]" 2
503 1 24 VAL HB 1 25 SER QB . . 4.690 4.481 4.173 4.700 0.010 18 0 "[ . 1 . 2]" 2
504 1 24 VAL H 1 24 VAL HB . . 4.100 3.629 3.601 3.720 . 0 0 "[ . 1 . 2]" 2
505 1 23 GLN HA 1 24 VAL MG1 . . 4.480 3.696 3.497 3.959 . 0 0 "[ . 1 . 2]" 2
506 1 24 VAL MG1 1 25 SER H . . 4.030 3.833 3.608 4.005 . 0 0 "[ . 1 . 2]" 2
507 1 24 VAL MG2 1 25 SER QB . . 5.070 4.832 4.511 5.040 . 0 0 "[ . 1 . 2]" 2
508 1 23 GLN HA 1 24 VAL MG2 . . 4.550 4.076 3.956 4.230 . 0 0 "[ . 1 . 2]" 2
509 1 24 VAL MG2 1 25 SER H . . 4.100 3.753 3.296 4.002 . 0 0 "[ . 1 . 2]" 2
510 1 25 SER HA 1 26 TYR QD . . 4.850 3.905 3.313 4.526 . 0 0 "[ . 1 . 2]" 2
511 1 25 SER QB 1 26 TYR HA . . 5.340 4.483 4.030 4.691 . 0 0 "[ . 1 . 2]" 2
512 1 26 TYR HA 1 27 GLY HA2 . . 5.500 4.542 4.448 4.653 . 0 0 "[ . 1 . 2]" 2
513 1 64 GLY QA 1 65 ASP HA . . 5.500 3.995 3.930 4.112 . 0 0 "[ . 1 . 2]" 2
514 1 26 TYR HA 1 27 GLY HA3 . . 5.500 4.800 4.490 5.346 . 0 0 "[ . 1 . 2]" 2
515 1 28 GLU HA 1 28 GLU HG2 . . 4.010 3.203 2.176 3.714 . 0 0 "[ . 1 . 2]" 2
516 1 28 GLU HA 1 29 MET HG3 . . 4.580 4.266 3.587 4.583 0.003 5 0 "[ . 1 . 2]" 2
517 1 28 GLU HB2 1 44 PHE QE . . 4.890 3.762 3.094 4.151 . 0 0 "[ . 1 . 2]" 2
518 1 28 GLU HG2 1 44 PHE QE . . 5.500 4.350 3.445 5.075 . 0 0 "[ . 1 . 2]" 2
519 1 28 GLU HG2 1 44 PHE HZ . . 5.500 4.962 3.888 5.568 0.068 6 0 "[ . 1 . 2]" 2
520 1 28 GLU HG3 1 44 PHE QE . . 5.500 4.335 3.188 5.034 . 0 0 "[ . 1 . 2]" 2
521 1 28 GLU HG3 1 44 PHE HZ . . 5.500 4.817 3.860 5.515 0.015 4 0 "[ . 1 . 2]" 2
522 1 29 MET HA 1 30 ILE MD . . 4.280 3.106 2.830 3.379 . 0 0 "[ . 1 . 2]" 2
523 1 29 MET HA 1 29 MET ME . . 4.390 4.020 3.769 4.238 . 0 0 "[ . 1 . 2]" 2
524 1 29 MET HA 1 29 MET HG2 . . 3.590 2.444 2.284 2.763 . 0 0 "[ . 1 . 2]" 2
525 1 28 GLU HA 1 29 MET HA . . 4.650 4.416 4.398 4.429 . 0 0 "[ . 1 . 2]" 2
526 1 29 MET HA 1 44 PHE QD . . 4.210 2.515 2.264 2.718 . 0 0 "[ . 1 . 2]" 2
527 1 29 MET HA 1 44 PHE QE . . 4.460 2.599 2.303 3.256 . 0 0 "[ . 1 . 2]" 2
528 1 29 MET HA 1 44 PHE H . . 4.150 3.846 3.354 4.132 . 0 0 "[ . 1 . 2]" 2
529 1 29 MET HB2 1 30 ILE H . . 4.340 4.010 3.462 4.282 . 0 0 "[ . 1 . 2]" 2
530 1 29 MET HB3 1 41 TRP HB3 . . 4.970 3.763 3.282 4.117 . 0 0 "[ . 1 . 2]" 2
531 1 29 MET HB2 1 41 TRP HB3 . . 5.500 4.779 3.577 5.287 . 0 0 "[ . 1 . 2]" 2
532 1 25 SER QB 1 29 MET HG2 . . 5.430 4.946 4.543 5.241 . 0 0 "[ . 1 . 2]" 2
533 1 29 MET HG2 1 43 HIS HB2 . . 5.500 4.726 4.540 4.913 . 0 0 "[ . 1 . 2]" 2
534 1 25 SER QB 1 29 MET HG3 . . 4.740 4.498 3.941 4.742 0.002 15 0 "[ . 1 . 2]" 2
535 1 25 SER HA 1 29 MET HG2 . . 5.310 4.669 4.224 5.107 . 0 0 "[ . 1 . 2]" 2
536 1 29 MET HG2 1 43 HIS HB3 . . 5.500 4.264 4.097 4.467 . 0 0 "[ . 1 . 2]" 2
537 1 25 SER HA 1 29 MET HG3 . . 5.150 4.304 3.492 4.705 . 0 0 "[ . 1 . 2]" 2
538 1 29 MET HG3 1 43 HIS HB3 . . 5.500 4.614 4.234 5.179 . 0 0 "[ . 1 . 2]" 2
539 1 29 MET HG3 1 42 PHE HA . . 5.500 5.500 5.413 5.583 0.083 15 0 "[ . 1 . 2]" 2
540 1 29 MET HG2 1 42 PHE HA . . 5.060 3.829 3.725 3.959 . 0 0 "[ . 1 . 2]" 2
541 1 29 MET HG2 1 43 HIS HA . . 4.280 2.184 2.022 2.401 . 0 0 "[ . 1 . 2]" 2
542 1 29 MET HG3 1 43 HIS HA . . 4.120 3.014 2.709 3.458 . 0 0 "[ . 1 . 2]" 2
543 1 29 MET HA 1 29 MET HG3 . . 3.910 2.867 2.746 3.046 . 0 0 "[ . 1 . 2]" 2
544 1 29 MET HG2 1 43 HIS HD2 . . 4.520 2.366 2.075 2.715 . 0 0 "[ . 1 . 2]" 2
545 1 26 TYR H 1 29 MET HG3 . . 5.060 3.534 3.001 4.366 . 0 0 "[ . 1 . 2]" 2
546 1 29 MET H 1 29 MET HG2 . . 4.550 4.409 4.081 4.550 0.000 6 0 "[ . 1 . 2]" 2
547 1 29 MET HG2 1 30 ILE H . . 5.060 3.719 3.434 4.251 . 0 0 "[ . 1 . 2]" 2
548 1 29 MET HG3 1 30 ILE H . . 4.970 4.717 4.519 4.930 . 0 0 "[ . 1 . 2]" 2
549 1 30 ILE HB 1 49 LEU MD1 . . 4.590 4.181 3.944 4.494 . 0 0 "[ . 1 . 2]" 2
550 1 30 ILE H 1 30 ILE HB . . 4.140 3.798 3.739 3.914 . 0 0 "[ . 1 . 2]" 2
551 1 30 ILE HG13 1 49 LEU MD1 . . 5.330 3.035 2.817 3.684 . 0 0 "[ . 1 . 2]" 2
552 1 30 ILE HG12 1 44 PHE QE . . 5.500 5.424 5.093 5.582 0.082 11 0 "[ . 1 . 2]" 2
553 1 30 ILE HG12 1 57 TRP HZ2 . . 5.500 5.070 4.542 5.428 . 0 0 "[ . 1 . 2]" 2
554 1 30 ILE H 1 30 ILE HG12 . . 5.370 3.245 2.781 3.543 . 0 0 "[ . 1 . 2]" 2
555 1 30 ILE MG 1 52 LYS HA . . 4.050 3.160 2.835 3.633 . 0 0 "[ . 1 . 2]" 2
556 1 30 ILE MG 1 44 PHE QE . . 4.000 1.934 1.804 2.047 . 0 0 "[ . 1 . 2]" 2
557 1 30 ILE MG 1 44 PHE HZ . . 4.550 2.416 2.292 2.560 . 0 0 "[ . 1 . 2]" 2
558 1 30 ILE MG 1 57 TRP HB2 . . 4.810 4.734 4.598 4.825 0.015 17 0 "[ . 1 . 2]" 2
559 1 30 ILE MG 1 47 VAL MG2 . . 5.330 3.588 3.326 3.957 . 0 0 "[ . 1 . 2]" 2
560 1 30 ILE MG 1 49 LEU HB2 . . 5.500 4.416 4.177 4.753 . 0 0 "[ . 1 . 2]" 2
561 1 30 ILE HA 1 30 ILE MD . . 3.890 3.546 3.427 3.763 . 0 0 "[ . 1 . 2]" 2
562 1 30 ILE MD 1 57 TRP HH2 . . 4.500 2.737 2.405 3.122 . 0 0 "[ . 1 . 2]" 2
563 1 30 ILE MD 1 44 PHE QE . . 4.230 3.324 2.854 3.591 . 0 0 "[ . 1 . 2]" 2
564 1 30 ILE MD 1 57 TRP HZ2 . . 4.580 3.276 2.939 3.695 . 0 0 "[ . 1 . 2]" 2
565 1 30 ILE MD 1 42 PHE QD . . 4.340 2.988 2.451 3.728 . 0 0 "[ . 1 . 2]" 2
566 1 30 ILE MD 1 31 GLY H . . 4.840 4.401 4.095 4.738 . 0 0 "[ . 1 . 2]" 2
567 1 30 ILE MD 1 32 CYS H . . 5.390 4.542 3.858 5.288 . 0 0 "[ . 1 . 2]" 2
568 1 31 GLY HA3 1 41 TRP HA . . 5.120 4.686 4.098 5.094 . 0 0 "[ . 1 . 2]" 2
569 1 31 GLY HA3 1 41 TRP HE3 . . 5.250 4.772 4.432 5.109 . 0 0 "[ . 1 . 2]" 2
570 1 32 CYS HA 1 59 CYS HB3 . . 5.390 3.881 3.490 4.131 . 0 0 "[ . 1 . 2]" 2
571 1 32 CYS HA 1 58 TYR HA . . 4.830 3.105 2.159 3.552 . 0 0 "[ . 1 . 2]" 2
572 1 32 CYS HA 1 57 TRP HZ3 . . 4.140 2.877 2.419 3.240 . 0 0 "[ . 1 . 2]" 2
573 1 32 CYS HB3 1 59 CYS HB3 . . 4.310 3.700 3.424 4.090 . 0 0 "[ . 1 . 2]" 2
574 1 32 CYS HB2 1 59 CYS HB2 . . 4.670 3.831 3.530 4.194 . 0 0 "[ . 1 . 2]" 2
575 1 32 CYS HB3 1 37 CYS HB3 . . 4.270 2.892 2.589 3.124 . 0 0 "[ . 1 . 2]" 2
576 1 32 CYS HB2 1 40 GLU HA . . 4.150 3.085 2.844 3.585 . 0 0 "[ . 1 . 2]" 2
577 1 32 CYS HB2 1 37 CYS HB2 . . 4.740 4.512 4.194 4.718 . 0 0 "[ . 1 . 2]" 2
578 1 32 CYS HB3 1 57 TRP HZ3 . . 4.700 4.225 3.734 4.703 0.003 18 0 "[ . 1 . 2]" 2
579 1 32 CYS HB3 1 42 PHE QD . . 4.670 4.565 4.302 4.694 0.024 13 0 "[ . 1 . 2]" 2
580 1 32 CYS HB2 1 42 PHE QD . . 4.770 3.460 3.007 4.027 . 0 0 "[ . 1 . 2]" 2
581 1 32 CYS HB2 1 40 GLU H . . 5.260 4.185 3.882 4.550 . 0 0 "[ . 1 . 2]" 2
582 1 32 CYS HB3 1 40 GLU H . . 4.940 3.343 3.077 3.690 . 0 0 "[ . 1 . 2]" 2
583 1 34 ASN HB3 1 37 CYS HB2 . . 3.980 2.273 1.979 2.452 . 0 0 "[ . 1 . 2]" 2
584 1 34 ASN HB2 1 37 CYS HB2 . . 4.240 4.013 3.508 4.208 . 0 0 "[ . 1 . 2]" 2
585 1 17 THR HA 1 23 GLN HA . . 5.090 4.550 4.138 4.876 . 0 0 "[ . 1 . 2]" 2
586 1 34 ASN HA 1 35 GLU HA . . 5.490 4.441 4.345 4.484 . 0 0 "[ . 1 . 2]" 2
587 1 34 ASN HD22 1 37 CYS HA . . 4.250 4.130 3.903 4.251 0.001 9 0 "[ . 1 . 2]" 2
588 1 37 CYS HA 1 39 ILE H . . 5.020 3.423 3.315 3.524 . 0 0 "[ . 1 . 2]" 2
589 1 34 ASN HD21 1 37 CYS HA . . 4.110 3.318 3.048 3.436 . 0 0 "[ . 1 . 2]" 2
590 1 34 ASN HA 1 35 GLU QB . . 4.820 4.224 4.065 4.546 . 0 0 "[ . 1 . 2]" 2
591 1 35 GLU QB 1 37 CYS H . . 4.680 4.511 4.324 4.716 0.036 13 0 "[ . 1 . 2]" 2
592 1 35 GLU QG 1 36 GLN H . . 4.930 3.720 1.866 4.280 . 0 0 "[ . 1 . 2]" 2
593 1 34 ASN HD22 1 36 GLN HB2 . . 4.550 2.785 1.954 4.229 . 0 0 "[ . 1 . 2]" 2
594 1 34 ASN HD22 1 36 GLN HB3 . . 4.550 2.802 1.898 4.386 . 0 0 "[ . 1 . 2]" 2
595 1 32 CYS HB3 1 37 CYS HB2 . . 3.950 3.345 3.114 3.558 . 0 0 "[ . 1 . 2]" 2
596 1 37 CYS HB2 1 40 GLU H . . 4.480 4.068 3.924 4.173 . 0 0 "[ . 1 . 2]" 2
597 1 37 CYS HB3 1 40 GLU HG3 . . 4.730 2.471 1.990 4.572 . 0 0 "[ . 1 . 2]" 2
598 1 37 CYS HB3 1 40 GLU HG2 . . 4.730 3.046 1.990 4.743 0.013 13 0 "[ . 1 . 2]" 2
599 1 37 CYS HB3 1 39 ILE H . . 5.280 3.280 3.033 3.478 . 0 0 "[ . 1 . 2]" 2
600 1 34 ASN H 1 37 CYS HB3 . . 5.500 5.040 3.916 5.371 . 0 0 "[ . 1 . 2]" 2
601 1 34 ASN HD21 1 37 CYS HB3 . . 5.260 4.078 3.564 4.695 . 0 0 "[ . 1 . 2]" 2
602 1 37 CYS HB3 1 40 GLU H . . 4.240 2.613 2.454 2.769 . 0 0 "[ . 1 . 2]" 2
603 1 37 CYS HA 1 38 PRO HG3 . . 4.480 4.335 4.316 4.379 . 0 0 "[ . 1 . 2]" 2
604 1 38 PRO HD2 1 39 ILE H . . 4.000 2.929 2.761 3.036 . 0 0 "[ . 1 . 2]" 2
605 1 34 ASN HD21 1 38 PRO HD2 . . 5.500 5.011 4.797 5.214 . 0 0 "[ . 1 . 2]" 2
606 1 34 ASN HD21 1 38 PRO HD3 . . 5.500 5.318 5.100 5.486 . 0 0 "[ . 1 . 2]" 2
607 1 38 PRO HG2 1 39 ILE HG13 . . 3.930 2.483 2.305 2.580 . 0 0 "[ . 1 . 2]" 2
608 1 37 CYS HA 1 38 PRO HG2 . . 4.890 4.143 4.116 4.169 . 0 0 "[ . 1 . 2]" 2
609 1 38 PRO HG2 1 39 ILE HA . . 5.390 4.620 4.485 4.710 . 0 0 "[ . 1 . 2]" 2
610 1 38 PRO HB2 1 39 ILE HG13 . . 3.940 3.683 3.334 3.879 . 0 0 "[ . 1 . 2]" 2
611 1 39 ILE HG13 1 42 PHE HZ . . 4.970 4.041 3.628 4.396 . 0 0 "[ . 1 . 2]" 2
612 1 39 ILE HG13 1 40 GLU H . . 5.050 4.090 3.968 4.207 . 0 0 "[ . 1 . 2]" 2
613 1 38 PRO HG2 1 39 ILE HG12 . . 4.170 3.950 3.785 4.152 . 0 0 "[ . 1 . 2]" 2
614 1 38 PRO HB2 1 39 ILE HG12 . . 4.660 4.538 4.225 4.658 . 0 0 "[ . 1 . 2]" 2
615 1 39 ILE HG12 1 40 GLU H . . 5.500 4.865 4.754 4.950 . 0 0 "[ . 1 . 2]" 2
616 1 39 ILE HG12 1 42 PHE HZ . . 5.130 4.502 3.896 4.841 . 0 0 "[ . 1 . 2]" 2
617 1 18 TYR HB2 1 39 ILE MG . . 4.360 3.211 3.041 3.510 . 0 0 "[ . 1 . 2]" 2
618 1 39 ILE MG 1 41 TRP HB2 . . 4.750 2.536 2.326 2.930 . 0 0 "[ . 1 . 2]" 2
619 1 18 TYR HB3 1 39 ILE MG . . 4.440 1.891 1.791 2.053 . 0 0 "[ . 1 . 2]" 2
620 1 18 TYR HA 1 39 ILE MG . . 4.420 2.504 1.984 2.975 . 0 0 "[ . 1 . 2]" 2
621 1 39 ILE MG 1 42 PHE QD . . 4.340 3.335 3.012 3.525 . 0 0 "[ . 1 . 2]" 2
622 1 39 ILE H 1 39 ILE MG . . 4.350 3.828 3.798 3.879 . 0 0 "[ . 1 . 2]" 2
623 1 39 ILE MG 1 40 GLU H . . 4.310 3.256 3.067 3.414 . 0 0 "[ . 1 . 2]" 2
624 1 20 LEU H 1 39 ILE MG . . 5.400 4.575 4.201 4.863 . 0 0 "[ . 1 . 2]" 2
625 1 38 PRO HG2 1 39 ILE MD . . 3.760 3.554 3.221 3.737 . 0 0 "[ . 1 . 2]" 2
626 1 19 CYS HA 1 39 ILE MD . . 5.500 4.193 3.822 4.509 . 0 0 "[ . 1 . 2]" 2
627 1 39 ILE HA 1 39 ILE MD . . 3.950 3.875 3.822 3.921 . 0 0 "[ . 1 . 2]" 2
628 1 39 ILE H 1 39 ILE MD . . 4.490 3.752 3.595 3.930 . 0 0 "[ . 1 . 2]" 2
629 1 37 CYS HB3 1 40 GLU HA . . 3.920 3.261 3.100 3.473 . 0 0 "[ . 1 . 2]" 2
630 1 32 CYS HB3 1 40 GLU HA . . 3.800 2.131 1.999 2.396 . 0 0 "[ . 1 . 2]" 2
631 1 32 CYS H 1 40 GLU HA . . 4.450 2.265 1.957 2.701 . 0 0 "[ . 1 . 2]" 2
632 1 39 ILE H 1 40 GLU HA . . 4.700 4.543 4.421 4.686 . 0 0 "[ . 1 . 2]" 2
633 1 40 GLU H 1 40 GLU HG2 . . 5.020 3.714 2.461 5.031 0.011 15 0 "[ . 1 . 2]" 2
634 1 40 GLU H 1 40 GLU HG3 . . 5.020 3.351 2.754 4.461 . 0 0 "[ . 1 . 2]" 2
635 1 30 ILE MD 1 41 TRP HA . . 5.380 4.044 3.327 4.985 . 0 0 "[ . 1 . 2]" 2
636 1 41 TRP HA 1 42 PHE HB2 . . 4.800 4.715 4.586 4.802 0.002 14 0 "[ . 1 . 2]" 2
637 1 31 GLY HA2 1 41 TRP HA . . 3.680 3.158 2.633 3.483 . 0 0 "[ . 1 . 2]" 2
638 1 41 TRP HA 1 42 PHE QD . . 4.060 3.567 3.140 3.911 . 0 0 "[ . 1 . 2]" 2
639 1 32 CYS H 1 41 TRP HA . . 4.480 4.086 3.799 4.428 . 0 0 "[ . 1 . 2]" 2
640 1 41 TRP HA 1 41 TRP HD1 . . 4.800 4.511 4.394 4.564 . 0 0 "[ . 1 . 2]" 2
641 1 41 TRP HA 1 41 TRP HZ3 . . 5.200 4.524 4.438 4.634 . 0 0 "[ . 1 . 2]" 2
642 1 29 MET ME 1 41 TRP HB2 . . 4.010 3.204 2.896 3.863 . 0 0 "[ . 1 . 2]" 2
643 1 18 TYR HB3 1 41 TRP HB3 . . 4.690 3.389 3.115 3.600 . 0 0 "[ . 1 . 2]" 2
644 1 30 ILE MD 1 42 PHE HB3 . . 3.790 3.413 3.113 3.739 . 0 0 "[ . 1 . 2]" 2
645 1 42 PHE HB2 1 47 VAL MG2 . . 4.200 3.624 3.192 4.020 . 0 0 "[ . 1 . 2]" 2
646 1 42 PHE HB2 1 47 VAL MG1 . . 3.930 2.635 2.208 2.899 . 0 0 "[ . 1 . 2]" 2
647 1 42 PHE H 1 42 PHE HB2 . . 3.970 2.895 2.833 2.965 . 0 0 "[ . 1 . 2]" 2
648 1 30 ILE H 1 42 PHE HB2 . . 5.000 3.966 3.733 4.160 . 0 0 "[ . 1 . 2]" 2
649 1 43 HIS HB3 1 46 CYS HB2 . . 3.910 3.671 3.496 3.876 . 0 0 "[ . 1 . 2]" 2
650 1 43 HIS HB2 1 46 CYS HB2 . . 4.160 2.107 1.987 2.281 . 0 0 "[ . 1 . 2]" 2
651 1 42 PHE HA 1 43 HIS HB2 . . 4.920 4.843 4.775 4.934 0.014 3 0 "[ . 1 . 2]" 2
652 1 44 PHE HA 1 49 LEU MD1 . . 4.160 2.750 2.403 3.071 . 0 0 "[ . 1 . 2]" 2
653 1 30 ILE MD 1 44 PHE HA . . 4.260 3.700 3.293 4.036 . 0 0 "[ . 1 . 2]" 2
654 1 44 PHE HA 1 49 LEU HB3 . . 3.870 3.281 3.152 3.446 . 0 0 "[ . 1 . 2]" 2
655 1 44 PHE HA 1 49 LEU HG . . 4.330 4.174 3.971 4.344 0.014 4 0 "[ . 1 . 2]" 2
656 1 44 PHE HA 1 44 PHE QE . . 4.780 4.464 4.400 4.523 . 0 0 "[ . 1 . 2]" 2
657 1 44 PHE HB2 1 49 LEU HB2 . . 4.380 4.172 3.993 4.392 0.012 19 0 "[ . 1 . 2]" 2
658 1 46 CYS HB2 1 47 VAL MG1 . . 4.230 3.316 3.149 3.483 . 0 0 "[ . 1 . 2]" 2
659 1 20 LEU MD1 1 46 CYS HB2 . . 5.210 4.920 4.529 5.155 . 0 0 "[ . 1 . 2]" 2
660 1 43 HIS HB2 1 46 CYS HB3 . . 4.470 3.728 3.607 3.914 . 0 0 "[ . 1 . 2]" 2
661 1 43 HIS H 1 46 CYS HB2 . . 4.580 3.299 3.034 3.455 . 0 0 "[ . 1 . 2]" 2
662 1 43 HIS H 1 46 CYS HB3 . . 4.810 4.345 4.049 4.618 . 0 0 "[ . 1 . 2]" 2
663 1 47 VAL HB 1 49 LEU MD1 . . 5.300 3.308 3.015 3.769 . 0 0 "[ . 1 . 2]" 2
664 1 30 ILE HG13 1 57 TRP HB2 . . 5.500 4.545 4.201 5.091 . 0 0 "[ . 1 . 2]" 2
665 1 53 PRO HG2 1 57 TRP HB2 . . 4.550 2.333 2.032 2.952 . 0 0 "[ . 1 . 2]" 2
666 1 57 TRP H 1 57 TRP HB2 . . 4.020 3.179 2.978 3.491 . 0 0 "[ . 1 . 2]" 2
667 1 47 VAL HB 1 57 TRP HE1 . . 4.670 3.696 3.254 4.612 . 0 0 "[ . 1 . 2]" 2
668 1 30 ILE MD 1 47 VAL MG1 . . 4.740 2.787 2.450 3.242 . 0 0 "[ . 1 . 2]" 2
669 1 47 VAL MG1 1 59 CYS HB3 . . 5.500 5.057 4.531 5.394 . 0 0 "[ . 1 . 2]" 2
670 1 47 VAL MG1 1 60 PRO HG3 . . 4.220 2.759 2.134 3.270 . 0 0 "[ . 1 . 2]" 2
671 1 47 VAL MG1 1 60 PRO HG2 . . 4.220 3.771 3.297 4.230 0.010 15 0 "[ . 1 . 2]" 2
672 1 47 VAL MG1 1 57 TRP HZ3 . . 5.260 4.370 4.108 4.564 . 0 0 "[ . 1 . 2]" 2
673 1 42 PHE HB3 1 47 VAL MG2 . . 4.270 3.936 3.499 4.221 . 0 0 "[ . 1 . 2]" 2
674 1 46 CYS HB2 1 47 VAL MG2 . . 4.890 3.948 3.846 4.155 . 0 0 "[ . 1 . 2]" 2
675 1 47 VAL MG2 1 48 SER H . . 4.240 3.414 3.181 3.540 . 0 0 "[ . 1 . 2]" 2
676 1 47 VAL MG2 1 49 LEU H . . 4.300 2.902 2.722 3.034 . 0 0 "[ . 1 . 2]" 2
677 1 47 VAL MG2 1 57 TRP HE1 . . 5.500 3.529 3.004 4.195 . 0 0 "[ . 1 . 2]" 2
678 1 48 SER H 1 48 SER HB2 . . 4.170 3.100 2.882 3.599 . 0 0 "[ . 1 . 2]" 2
679 1 49 LEU HB2 1 51 TYR H . . 5.230 5.051 3.595 5.235 0.005 12 0 "[ . 1 . 2]" 2
680 1 49 LEU HB3 1 49 LEU MD1 . . 3.460 2.389 2.248 2.528 . 0 0 "[ . 1 . 2]" 2
681 1 49 LEU HB2 1 49 LEU MD1 . . 3.260 2.245 2.108 2.390 . 0 0 "[ . 1 . 2]" 2
682 1 49 LEU MD1 1 53 PRO HG2 . . 4.310 3.832 3.558 4.143 . 0 0 "[ . 1 . 2]" 2
683 1 49 LEU MD1 1 52 LYS HA . . 4.680 3.986 3.597 4.274 . 0 0 "[ . 1 . 2]" 2
684 1 49 LEU MD1 1 57 TRP HZ2 . . 5.120 3.029 2.576 3.583 . 0 0 "[ . 1 . 2]" 2
685 1 49 LEU MD2 1 53 PRO HG3 . . 4.380 2.595 2.200 3.082 . 0 0 "[ . 1 . 2]" 2
686 1 49 LEU MD2 1 53 PRO HG2 . . 4.380 4.017 3.631 4.339 . 0 0 "[ . 1 . 2]" 2
687 1 30 ILE MG 1 49 LEU MD2 . . 4.070 3.884 3.655 4.077 0.007 11 0 "[ . 1 . 2]" 2
688 1 44 PHE QE 1 49 LEU MD2 . . 5.000 4.207 3.761 4.782 . 0 0 "[ . 1 . 2]" 2
689 1 49 LEU H 1 49 LEU MD2 . . 5.040 4.208 4.124 4.292 . 0 0 "[ . 1 . 2]" 2
690 1 49 LEU MD2 1 57 TRP HE1 . . 4.140 3.155 2.631 3.701 . 0 0 "[ . 1 . 2]" 2
691 1 44 PHE QE 1 50 THR HA . . 5.500 5.426 5.061 5.513 0.013 17 0 "[ . 1 . 2]" 2
692 1 50 THR HB 1 51 TYR QD . . 4.390 2.708 2.006 3.452 . 0 0 "[ . 1 . 2]" 2
693 1 50 THR MG 1 51 TYR QE . . 4.700 3.589 2.503 4.681 . 0 0 "[ . 1 . 2]" 2
694 1 50 THR MG 1 51 TYR H . . 5.500 3.781 3.550 4.177 . 0 0 "[ . 1 . 2]" 2
695 1 17 THR MG 1 24 VAL H . . 4.850 3.674 3.133 4.185 . 0 0 "[ . 1 . 2]" 2
696 1 51 TYR HB3 1 52 LYS H . . 4.000 3.770 3.602 3.951 . 0 0 "[ . 1 . 2]" 2
697 1 51 TYR HB2 1 52 LYS H . . 4.000 2.678 2.425 2.979 . 0 0 "[ . 1 . 2]" 2
698 1 49 LEU MD2 1 52 LYS HA . . 4.480 4.178 3.924 4.354 . 0 0 "[ . 1 . 2]" 2
699 1 52 LYS HA 1 52 LYS HG2 . . 4.180 2.844 2.201 3.822 . 0 0 "[ . 1 . 2]" 2
700 1 30 ILE MG 1 52 LYS QB . . 5.500 4.239 3.675 4.739 . 0 0 "[ . 1 . 2]" 2
701 1 52 LYS QB 1 52 LYS QE . . 4.530 3.438 1.964 3.848 . 0 0 "[ . 1 . 2]" 2
702 1 52 LYS QB 1 53 PRO HD3 . . 4.460 4.389 4.128 4.466 0.006 12 0 "[ . 1 . 2]" 2
703 1 52 LYS QB 1 53 PRO HD2 . . 4.520 3.701 3.101 3.907 . 0 0 "[ . 1 . 2]" 2
704 1 51 TYR HA 1 52 LYS QB . . 4.460 4.226 4.056 4.376 . 0 0 "[ . 1 . 2]" 2
705 1 44 PHE HZ 1 52 LYS HG2 . . 5.020 3.291 1.963 5.027 0.007 7 0 "[ . 1 . 2]" 2
706 1 30 ILE MG 1 52 LYS QD . . 4.490 3.049 1.869 4.174 . 0 0 "[ . 1 . 2]" 2
707 1 52 LYS HA 1 52 LYS QD . . 4.580 2.424 1.979 3.140 . 0 0 "[ . 1 . 2]" 2
708 1 52 LYS H 1 52 LYS QD . . 5.270 4.185 3.680 4.472 . 0 0 "[ . 1 . 2]" 2
709 1 30 ILE MG 1 52 LYS QE . . 4.400 2.861 1.943 3.449 . 0 0 "[ . 1 . 2]" 2
710 1 30 ILE HG13 1 52 LYS QE . . 5.500 5.247 4.646 5.555 0.055 17 0 "[ . 1 . 2]" 2
711 1 44 PHE HZ 1 52 LYS QE . . 5.500 3.917 2.072 4.733 . 0 0 "[ . 1 . 2]" 2
712 1 51 TYR QE 1 53 PRO HA . . 4.640 3.872 3.163 4.621 . 0 0 "[ . 1 . 2]" 2
713 1 38 PRO HB2 1 39 ILE MD . . 5.500 4.947 4.543 5.140 . 0 0 "[ . 1 . 2]" 2
714 1 53 PRO HG3 1 57 TRP HB2 . . 4.550 2.908 2.180 3.637 . 0 0 "[ . 1 . 2]" 2
715 1 49 LEU MD1 1 53 PRO HG3 . . 4.310 2.567 2.215 2.878 . 0 0 "[ . 1 . 2]" 2
716 1 30 ILE MG 1 53 PRO HG3 . . 4.040 3.634 2.869 3.951 . 0 0 "[ . 1 . 2]" 2
717 1 44 PHE QE 1 53 PRO HD2 . . 5.120 4.148 3.800 4.454 . 0 0 "[ . 1 . 2]" 2
718 1 44 PHE HZ 1 53 PRO HD2 . . 5.370 3.840 3.046 4.206 . 0 0 "[ . 1 . 2]" 2
719 1 49 LEU MD2 1 53 PRO HD3 . . 4.410 2.251 1.984 2.484 . 0 0 "[ . 1 . 2]" 2
720 1 49 LEU MD1 1 53 PRO HD3 . . 4.320 2.479 2.068 2.787 . 0 0 "[ . 1 . 2]" 2
721 1 44 PHE QE 1 53 PRO HD3 . . 4.880 3.746 3.286 4.050 . 0 0 "[ . 1 . 2]" 2
722 1 44 PHE HZ 1 53 PRO HD3 . . 5.500 4.278 3.413 4.677 . 0 0 "[ . 1 . 2]" 2
723 1 56 LYS HA 1 56 LYS QD . . 4.350 3.773 2.168 4.358 0.008 12 0 "[ . 1 . 2]" 2
724 1 54 LYS HA 1 55 GLY HA2 . . 5.090 4.461 4.319 4.592 . 0 0 "[ . 1 . 2]" 2
725 1 55 GLY HA2 1 56 LYS HA . . 5.440 4.501 4.287 4.655 . 0 0 "[ . 1 . 2]" 2
726 1 54 LYS HA 1 55 GLY HA3 . . 5.090 4.513 4.392 4.844 . 0 0 "[ . 1 . 2]" 2
727 1 55 GLY HA3 1 56 LYS HA . . 5.440 4.451 4.318 4.798 . 0 0 "[ . 1 . 2]" 2
728 1 56 LYS HB2 1 57 TRP H . . 4.220 3.451 2.688 4.238 0.018 5 0 "[ . 1 . 2]" 2
729 1 56 LYS QG 1 57 TRP H . . 4.730 4.096 3.669 4.609 . 0 0 "[ . 1 . 2]" 2
730 1 57 TRP HA 1 58 TYR HB2 . . 4.980 4.435 4.306 4.546 . 0 0 "[ . 1 . 2]" 2
731 1 30 ILE MG 1 57 TRP HB3 . . 4.470 4.426 4.297 4.491 0.021 13 0 "[ . 1 . 2]" 2
732 1 58 TYR HB3 1 62 CYS HB3 . . 4.540 3.913 3.530 4.305 . 0 0 "[ . 1 . 2]" 2
733 1 58 TYR HB3 1 63 ARG HA . . 4.290 4.183 3.857 4.317 0.027 17 0 "[ . 1 . 2]" 2
734 1 58 TYR HB2 1 59 CYS H . . 4.660 4.357 4.175 4.453 . 0 0 "[ . 1 . 2]" 2
735 1 58 TYR HB2 1 63 ARG HB3 . . 4.460 2.914 2.656 3.734 . 0 0 "[ . 1 . 2]" 2
736 1 58 TYR HB2 1 63 ARG HB2 . . 4.460 4.115 2.949 4.458 . 0 0 "[ . 1 . 2]" 2
737 1 58 TYR HB2 1 62 CYS HB2 . . 5.080 4.699 4.370 4.990 . 0 0 "[ . 1 . 2]" 2
738 1 58 TYR HB2 1 63 ARG HA . . 4.630 4.624 4.283 4.669 0.039 20 0 "[ . 1 . 2]" 2
739 1 47 VAL MG1 1 59 CYS HB2 . . 4.850 4.207 3.706 4.599 . 0 0 "[ . 1 . 2]" 2
740 1 57 TRP HZ3 1 59 CYS HB2 . . 4.980 3.729 3.341 4.187 . 0 0 "[ . 1 . 2]" 2
741 1 57 TRP HZ2 1 59 CYS HB2 . . 5.500 4.953 4.266 5.473 . 0 0 "[ . 1 . 2]" 2
742 1 42 PHE HZ 1 59 CYS HB2 . . 4.370 3.530 2.985 3.940 . 0 0 "[ . 1 . 2]" 2
743 1 32 CYS HB2 1 59 CYS HB3 . . 3.550 2.150 1.988 2.565 . 0 0 "[ . 1 . 2]" 2
744 1 58 TYR HA 1 59 CYS HB3 . . 4.980 4.370 4.280 4.439 . 0 0 "[ . 1 . 2]" 2
745 1 42 PHE QE 1 59 CYS HB3 . . 4.060 2.646 2.193 3.222 . 0 0 "[ . 1 . 2]" 2
746 1 42 PHE HZ 1 59 CYS HB3 . . 4.440 3.715 3.230 4.124 . 0 0 "[ . 1 . 2]" 2
747 1 60 PRO HA 1 63 ARG H . . 4.520 3.726 3.527 3.942 . 0 0 "[ . 1 . 2]" 2
748 1 20 LEU MD1 1 60 PRO HB3 . . 5.200 4.539 3.977 5.085 . 0 0 "[ . 1 . 2]" 2
749 1 20 LEU MD1 1 60 PRO HD3 . . 4.620 4.128 3.453 4.630 0.010 17 0 "[ . 1 . 2]" 2
750 1 47 VAL HB 1 60 PRO HD3 . . 4.930 3.598 2.862 4.082 . 0 0 "[ . 1 . 2]" 2
751 1 57 TRP HH2 1 60 PRO HD3 . . 4.610 3.019 2.520 3.450 . 0 0 "[ . 1 . 2]" 2
752 1 57 TRP HZ2 1 60 PRO HD3 . . 4.310 2.796 2.377 3.092 . 0 0 "[ . 1 . 2]" 2
753 1 60 PRO HD3 1 61 LYS H . . 4.970 3.994 3.871 4.039 . 0 0 "[ . 1 . 2]" 2
754 1 47 VAL MG1 1 60 PRO HD2 . . 4.100 3.115 2.602 3.554 . 0 0 "[ . 1 . 2]" 2
755 1 57 TRP HZ2 1 60 PRO HD2 . . 4.870 4.032 3.443 4.485 . 0 0 "[ . 1 . 2]" 2
756 1 42 PHE HZ 1 60 PRO HD2 . . 5.420 5.029 4.481 5.459 0.039 14 0 "[ . 1 . 2]" 2
757 1 54 LYS H 1 54 LYS QD . . 4.900 3.665 1.852 4.435 . 0 0 "[ . 1 . 2]" 2
758 1 61 LYS H 1 61 LYS QD . . 5.490 4.565 4.010 4.862 . 0 0 "[ . 1 . 2]" 2
759 1 39 ILE MD 1 61 LYS QD . . 4.190 3.111 2.216 4.134 . 0 0 "[ . 1 . 2]" 2
760 1 39 ILE MD 1 61 LYS QE . . 5.230 3.514 2.169 5.244 0.014 5 0 "[ . 1 . 2]" 2
761 1 34 ASN HD21 1 62 CYS HA . . 5.480 5.205 5.013 5.470 . 0 0 "[ . 1 . 2]" 2
762 1 61 LYS H 1 62 CYS HA . . 5.260 4.919 4.847 5.138 . 0 0 "[ . 1 . 2]" 2
763 1 34 ASN HD22 1 62 CYS HB3 . . 4.680 4.530 4.259 4.680 0.000 15 0 "[ . 1 . 2]" 2
764 1 59 CYS H 1 62 CYS HB3 . . 5.460 5.408 5.182 5.506 0.046 16 0 "[ . 1 . 2]" 2
765 1 34 ASN HD21 1 62 CYS HB3 . . 4.140 3.914 3.779 4.021 . 0 0 "[ . 1 . 2]" 2
766 1 59 CYS HB2 1 62 CYS HB2 . . 5.500 5.269 5.089 5.444 . 0 0 "[ . 1 . 2]" 2
767 1 58 TYR HB3 1 62 CYS HB2 . . 4.040 3.012 2.804 3.265 . 0 0 "[ . 1 . 2]" 2
768 1 58 TYR HA 1 62 CYS HB2 . . 4.770 4.400 4.219 4.673 . 0 0 "[ . 1 . 2]" 2
769 1 61 LYS H 1 62 CYS HB2 . . 5.500 4.352 4.186 4.629 . 0 0 "[ . 1 . 2]" 2
770 1 34 ASN HD21 1 62 CYS HB2 . . 4.690 4.503 4.320 4.622 . 0 0 "[ . 1 . 2]" 2
771 1 62 CYS HB3 1 63 ARG HA . . 5.160 4.298 4.144 4.529 . 0 0 "[ . 1 . 2]" 2
772 1 58 TYR QD 1 63 ARG HA . . 5.280 5.128 4.716 5.325 0.045 14 0 "[ . 1 . 2]" 2
773 1 18 TYR HB3 1 41 TRP HB2 . . 4.210 2.139 2.006 2.447 . 0 0 "[ . 1 . 2]" 2
774 1 67 GLY QA 1 68 PRO QG . . 5.160 3.950 3.760 4.106 . 0 0 "[ . 1 . 2]" 2
775 1 29 MET ME 1 42 PHE HA . . 3.760 2.332 2.065 2.636 . 0 0 "[ . 1 . 2]" 2
776 1 29 MET ME 1 43 HIS HA . . 4.180 3.456 2.992 3.920 . 0 0 "[ . 1 . 2]" 2
777 1 29 MET ME 1 41 TRP HA . . 4.870 3.364 2.927 4.077 . 0 0 "[ . 1 . 2]" 2
778 1 29 MET ME 1 43 HIS HE1 . . 4.860 3.936 3.238 4.467 . 0 0 "[ . 1 . 2]" 2
779 1 29 MET ME 1 42 PHE H . . 4.160 2.787 2.465 3.274 . 0 0 "[ . 1 . 2]" 2
780 1 29 MET ME 1 30 ILE H . . 4.580 4.274 3.870 4.583 0.003 12 0 "[ . 1 . 2]" 2
781 1 44 PHE HB3 1 49 LEU HB2 . . 4.380 2.857 2.646 3.045 . 0 0 "[ . 1 . 2]" 2
782 1 44 PHE QD 1 49 LEU MD1 . . 4.550 3.497 3.314 3.676 . 0 0 "[ . 1 . 2]" 2
783 1 30 ILE MD 1 44 PHE QD . . 4.140 3.418 3.070 3.685 . 0 0 "[ . 1 . 2]" 2
784 1 30 ILE MG 1 44 PHE QD . . 4.590 3.148 2.958 3.447 . 0 0 "[ . 1 . 2]" 2
785 1 44 PHE QD 1 49 LEU HB3 . . 4.080 2.477 2.037 3.105 . 0 0 "[ . 1 . 2]" 2
786 1 44 PHE QD 1 49 LEU HB2 . . 4.080 3.438 3.039 3.747 . 0 0 "[ . 1 . 2]" 2
787 1 44 PHE QD 1 50 THR HA . . 4.330 3.622 3.028 3.877 . 0 0 "[ . 1 . 2]" 2
788 1 43 HIS HA 1 44 PHE QD . . 4.870 3.102 2.817 3.420 . 0 0 "[ . 1 . 2]" 2
789 1 44 PHE QE 1 49 LEU MD1 . . 4.780 3.673 3.251 3.989 . 0 0 "[ . 1 . 2]" 2
790 1 28 GLU HB3 1 44 PHE QE . . 4.890 3.365 2.619 4.831 . 0 0 "[ . 1 . 2]" 2
791 1 44 PHE QE 1 52 LYS QE . . 5.330 4.545 2.609 5.237 . 0 0 "[ . 1 . 2]" 2
792 1 28 GLU HA 1 44 PHE QE . . 4.750 4.248 3.913 4.609 . 0 0 "[ . 1 . 2]" 2
793 1 44 PHE QE 1 50 THR H . . 5.500 5.090 4.593 5.319 . 0 0 "[ . 1 . 2]" 2
794 1 30 ILE HB 1 44 PHE HZ . . 5.000 4.912 4.687 5.037 0.037 16 0 "[ . 1 . 2]" 2
795 1 44 PHE HZ 1 52 LYS HG3 . . 5.020 4.172 3.069 5.017 . 0 0 "[ . 1 . 2]" 2
796 1 44 PHE HZ 1 52 LYS QD . . 4.600 3.490 2.128 4.600 0.000 3 0 "[ . 1 . 2]" 2
797 1 44 PHE HZ 1 52 LYS QB . . 3.750 3.259 2.713 3.831 0.081 16 0 "[ . 1 . 2]" 2
798 1 44 PHE HZ 1 52 LYS HA . . 3.880 2.732 2.208 3.012 . 0 0 "[ . 1 . 2]" 2
799 1 44 PHE HZ 1 52 LYS H . . 4.810 3.609 3.172 4.825 0.015 19 0 "[ . 1 . 2]" 2
800 1 42 PHE HZ 1 61 LYS H . . 5.500 5.203 4.707 5.509 0.009 3 0 "[ . 1 . 2]" 2
801 1 18 TYR HB2 1 41 TRP HB2 . . 4.300 2.921 2.624 3.315 . 0 0 "[ . 1 . 2]" 2
802 1 18 TYR HB2 1 19 CYS HA . . 5.190 4.158 4.075 4.249 . 0 0 "[ . 1 . 2]" 2
803 1 18 TYR HB2 1 25 SER QB . . 5.420 4.399 3.894 4.920 . 0 0 "[ . 1 . 2]" 2
804 1 18 TYR HB2 1 19 CYS H . . 3.690 2.130 1.959 2.320 . 0 0 "[ . 1 . 2]" 2
805 1 18 TYR QD 1 29 MET ME . . 4.650 3.846 3.280 4.128 . 0 0 "[ . 1 . 2]" 2
806 1 18 TYR QD 1 39 ILE HG12 . . 5.030 4.433 3.992 4.832 . 0 0 "[ . 1 . 2]" 2
807 1 18 TYR QD 1 41 TRP HB2 . . 3.750 2.693 2.482 2.980 . 0 0 "[ . 1 . 2]" 2
808 1 18 TYR QD 1 41 TRP HB3 . . 4.250 3.982 3.769 4.148 . 0 0 "[ . 1 . 2]" 2
809 1 18 TYR QD 1 39 ILE HA . . 4.130 2.729 2.355 3.075 . 0 0 "[ . 1 . 2]" 2
810 1 18 TYR QD 1 24 VAL HA . . 4.210 3.874 3.302 4.205 . 0 0 "[ . 1 . 2]" 2
811 1 18 TYR QD 1 25 SER H . . 4.220 3.593 3.190 4.026 . 0 0 "[ . 1 . 2]" 2
812 1 18 TYR QE 1 24 VAL MG1 . . 5.500 5.241 4.545 5.502 0.002 11 0 "[ . 1 . 2]" 2
813 1 18 TYR QE 1 29 MET ME . . 5.500 5.308 4.874 5.502 0.002 18 0 "[ . 1 . 2]" 2
814 1 16 PRO HG2 1 18 TYR QE . . 4.500 2.343 1.998 2.962 . 0 0 "[ . 1 . 2]" 2
815 1 18 TYR QE 1 41 TRP HB2 . . 4.580 4.434 4.257 4.581 0.001 11 0 "[ . 1 . 2]" 2
816 1 50 THR HB 1 51 TYR QE . . 4.700 3.407 2.615 4.464 . 0 0 "[ . 1 . 2]" 2
817 1 18 TYR HA 1 18 TYR QE . . 5.170 4.740 4.652 4.808 . 0 0 "[ . 1 . 2]" 2
818 1 24 VAL MG2 1 26 TYR QD . . 3.720 3.308 2.124 3.728 0.008 14 0 "[ . 1 . 2]" 2
819 1 26 TYR QD 1 27 GLY HA3 . . 4.010 2.820 2.367 3.383 . 0 0 "[ . 1 . 2]" 2
820 1 26 TYR QD 1 27 GLY HA2 . . 4.010 3.602 3.289 4.012 0.002 17 0 "[ . 1 . 2]" 2
821 1 26 TYR HA 1 26 TYR QD . . 4.190 3.682 3.610 3.730 . 0 0 "[ . 1 . 2]" 2
822 1 24 VAL MG2 1 26 TYR QE . . 5.500 4.779 2.917 5.490 . 0 0 "[ . 1 . 2]" 2
823 1 56 LYS HB3 1 58 TYR QE . . 4.360 3.326 2.190 4.366 0.006 14 0 "[ . 1 . 2]" 2
824 1 56 LYS QG 1 58 TYR QE . . 4.720 3.430 1.961 4.689 . 0 0 "[ . 1 . 2]" 2
825 1 56 LYS QD 1 58 TYR QE . . 4.540 3.181 1.981 4.369 . 0 0 "[ . 1 . 2]" 2
826 1 56 LYS HB2 1 58 TYR QE . . 4.360 2.964 2.164 4.289 . 0 0 "[ . 1 . 2]" 2
827 1 23 GLN HB3 1 26 TYR QE . . 4.790 3.587 2.049 4.287 . 0 0 "[ . 1 . 2]" 2
828 1 23 GLN HB2 1 26 TYR QE . . 4.790 3.801 2.894 4.522 . 0 0 "[ . 1 . 2]" 2
829 1 34 ASN HB2 1 58 TYR QE . . 4.150 2.537 2.144 2.977 . 0 0 "[ . 1 . 2]" 2
830 1 56 LYS QE 1 58 TYR QE . . 5.500 3.898 2.043 5.475 . 0 0 "[ . 1 . 2]" 2
831 1 34 ASN HB3 1 58 TYR QE . . 4.720 4.175 3.705 4.689 . 0 0 "[ . 1 . 2]" 2
832 1 26 TYR QE 1 43 HIS HB3 . . 4.890 3.931 3.087 4.720 . 0 0 "[ . 1 . 2]" 2
833 1 34 ASN HA 1 58 TYR QE . . 3.870 2.951 2.394 3.737 . 0 0 "[ . 1 . 2]" 2
834 1 34 ASN H 1 58 TYR QE . . 4.440 3.460 2.734 4.179 . 0 0 "[ . 1 . 2]" 2
835 1 50 THR MG 1 51 TYR QD . . 4.750 2.756 1.930 4.480 . 0 0 "[ . 1 . 2]" 2
836 1 51 TYR QD 1 53 PRO HA . . 4.740 3.696 3.219 4.298 . 0 0 "[ . 1 . 2]" 2
837 1 51 TYR HA 1 51 TYR QD . . 3.900 3.714 3.682 3.738 . 0 0 "[ . 1 . 2]" 2
838 1 51 TYR QD 1 52 LYS H . . 5.060 3.839 3.403 4.238 . 0 0 "[ . 1 . 2]" 2
839 1 58 TYR QD 1 62 CYS HB2 . . 4.060 3.411 2.830 3.903 . 0 0 "[ . 1 . 2]" 2
840 1 34 ASN HB2 1 58 TYR QD . . 3.670 2.248 1.996 2.701 . 0 0 "[ . 1 . 2]" 2
841 1 58 TYR QD 1 62 CYS HB3 . . 4.340 3.515 2.912 4.086 . 0 0 "[ . 1 . 2]" 2
842 1 34 ASN HB3 1 58 TYR QD . . 3.960 3.584 3.165 3.929 . 0 0 "[ . 1 . 2]" 2
843 1 57 TRP HA 1 58 TYR QD . . 4.630 3.643 3.194 4.549 . 0 0 "[ . 1 . 2]" 2
844 1 58 TYR HA 1 58 TYR QD . . 3.820 2.980 2.414 3.117 . 0 0 "[ . 1 . 2]" 2
845 1 34 ASN H 1 58 TYR QD . . 3.950 3.237 2.563 3.970 0.020 13 0 "[ . 1 . 2]" 2
846 1 58 TYR QD 1 59 CYS H . . 4.440 4.187 3.794 4.454 0.014 18 0 "[ . 1 . 2]" 2
847 1 41 TRP HB2 1 41 TRP HD1 . . 3.440 2.549 2.547 2.557 . 0 0 "[ . 1 . 2]" 2
848 1 41 TRP H 1 41 TRP HD1 . . 4.340 4.322 4.269 4.350 0.010 5 0 "[ . 1 . 2]" 2
849 1 29 MET ME 1 41 TRP HE3 . . 4.920 3.685 3.233 4.213 . 0 0 "[ . 1 . 2]" 2
850 1 29 MET HB2 1 41 TRP HE3 . . 4.130 3.353 2.202 3.879 . 0 0 "[ . 1 . 2]" 2
851 1 29 MET HB3 1 41 TRP HE3 . . 3.850 2.468 2.229 2.779 . 0 0 "[ . 1 . 2]" 2
852 1 41 TRP HB3 1 41 TRP HE3 . . 3.690 2.927 2.861 2.982 . 0 0 "[ . 1 . 2]" 2
853 1 31 GLY H 1 41 TRP HE3 . . 5.090 4.912 4.717 5.072 . 0 0 "[ . 1 . 2]" 2
854 1 41 TRP HE3 1 42 PHE H . . 4.440 3.401 3.279 3.546 . 0 0 "[ . 1 . 2]" 2
855 1 29 MET HB3 1 41 TRP HZ3 . . 4.830 3.897 3.531 4.572 . 0 0 "[ . 1 . 2]" 2
856 1 31 GLY HA3 1 41 TRP HZ3 . . 4.790 4.495 3.993 4.775 . 0 0 "[ . 1 . 2]" 2
857 1 31 GLY H 1 41 TRP HZ3 . . 4.480 4.385 4.157 4.485 0.005 5 0 "[ . 1 . 2]" 2
858 1 49 LEU MD1 1 57 TRP HD1 . . 5.080 3.469 3.252 3.916 . 0 0 "[ . 1 . 2]" 2
859 1 30 ILE MG 1 57 TRP HD1 . . 5.320 5.044 4.790 5.325 0.005 20 0 "[ . 1 . 2]" 2
860 1 49 LEU MD2 1 57 TRP HD1 . . 4.460 3.401 2.901 3.950 . 0 0 "[ . 1 . 2]" 2
861 1 53 PRO HG3 1 57 TRP HD1 . . 4.010 2.424 2.028 2.979 . 0 0 "[ . 1 . 2]" 2
862 1 53 PRO HG2 1 57 TRP HD1 . . 4.010 3.406 2.584 4.011 0.001 19 0 "[ . 1 . 2]" 2
863 1 30 ILE MD 1 57 TRP HE3 . . 4.720 3.932 3.518 4.330 . 0 0 "[ . 1 . 2]" 2
864 1 30 ILE MG 1 57 TRP HE3 . . 4.840 4.688 4.506 4.863 0.023 13 0 "[ . 1 . 2]" 2
865 1 30 ILE HG13 1 57 TRP HE3 . . 4.210 2.909 2.701 3.257 . 0 0 "[ . 1 . 2]" 2
866 1 30 ILE HG12 1 57 TRP HE3 . . 4.810 2.864 2.469 3.522 . 0 0 "[ . 1 . 2]" 2
867 1 57 TRP HB3 1 57 TRP HE3 . . 3.500 2.588 2.545 2.656 . 0 0 "[ . 1 . 2]" 2
868 1 31 GLY H 1 57 TRP HE3 . . 5.500 4.738 4.091 5.210 . 0 0 "[ . 1 . 2]" 2
869 1 32 CYS H 1 57 TRP HE3 . . 5.500 3.895 3.517 4.119 . 0 0 "[ . 1 . 2]" 2
870 1 33 ASP H 1 57 TRP HE3 . . 4.110 3.369 2.983 4.201 0.091 13 0 "[ . 1 . 2]" 2
871 1 57 TRP H 1 57 TRP HE3 . . 5.170 4.414 4.154 4.555 . 0 0 "[ . 1 . 2]" 2
872 1 57 TRP HZ2 1 59 CYS HA . . 4.450 3.317 2.642 3.680 . 0 0 "[ . 1 . 2]" 2
873 1 30 ILE MD 1 57 TRP HZ3 . . 4.240 3.101 2.507 3.547 . 0 0 "[ . 1 . 2]" 2
874 1 57 TRP HZ3 1 59 CYS HB3 . . 4.460 2.785 2.556 3.119 . 0 0 "[ . 1 . 2]" 2
875 1 32 CYS HB2 1 57 TRP HZ3 . . 3.970 2.678 2.340 3.115 . 0 0 "[ . 1 . 2]" 2
876 1 57 TRP HZ3 1 59 CYS HA . . 5.030 3.154 2.649 3.666 . 0 0 "[ . 1 . 2]" 2
877 1 42 PHE QD 1 57 TRP HZ3 . . 3.770 2.562 2.147 3.082 . 0 0 "[ . 1 . 2]" 2
878 1 32 CYS H 1 57 TRP HZ3 . . 4.760 3.227 2.806 3.809 . 0 0 "[ . 1 . 2]" 2
879 1 47 VAL MG2 1 57 TRP HH2 . . 4.140 3.737 3.337 4.114 . 0 0 "[ . 1 . 2]" 2
880 1 57 TRP HH2 1 59 CYS HB3 . . 4.360 3.463 2.877 3.871 . 0 0 "[ . 1 . 2]" 2
881 1 57 TRP HH2 1 59 CYS HB2 . . 4.240 3.144 2.657 3.421 . 0 0 "[ . 1 . 2]" 2
882 1 47 VAL HB 1 57 TRP HH2 . . 4.420 4.043 3.587 4.355 . 0 0 "[ . 1 . 2]" 2
883 1 42 PHE HB2 1 57 TRP HH2 . . 4.250 2.705 2.278 3.364 . 0 0 "[ . 1 . 2]" 2
884 1 42 PHE HB3 1 57 TRP HH2 . . 4.600 3.639 3.078 4.252 . 0 0 "[ . 1 . 2]" 2
885 1 57 TRP HH2 1 60 PRO HD2 . . 4.840 3.047 2.836 3.381 . 0 0 "[ . 1 . 2]" 2
886 1 57 TRP HH2 1 59 CYS HA . . 3.850 2.469 2.229 2.833 . 0 0 "[ . 1 . 2]" 2
887 1 42 PHE QD 1 57 TRP HH2 . . 4.440 3.159 2.539 3.531 . 0 0 "[ . 1 . 2]" 2
888 1 29 MET HG3 1 43 HIS HD2 . . 4.370 2.352 2.044 3.019 . 0 0 "[ . 1 . 2]" 2
889 1 43 HIS HB3 1 43 HIS HD2 . . 3.940 3.204 3.001 3.381 . 0 0 "[ . 1 . 2]" 2
890 1 25 SER HA 1 43 HIS HD2 . . 3.960 3.555 3.056 3.873 . 0 0 "[ . 1 . 2]" 2
891 1 43 HIS HA 1 43 HIS HD2 . . 4.070 2.647 2.474 2.918 . 0 0 "[ . 1 . 2]" 2
892 1 43 HIS HD2 1 44 PHE H . . 5.110 4.486 4.391 4.606 . 0 0 "[ . 1 . 2]" 2
893 1 23 GLN HB3 1 43 HIS HE1 . . 3.330 2.944 2.718 3.343 0.013 19 0 "[ . 1 . 2]" 2
894 1 23 GLN HB2 1 43 HIS HE1 . . 3.330 2.071 1.992 2.452 . 0 0 "[ . 1 . 2]" 2
895 1 19 CYS HB3 1 43 HIS HE1 . . 3.730 2.981 2.656 3.315 . 0 0 "[ . 1 . 2]" 2
896 1 26 TYR QE 1 43 HIS HE1 . . 5.500 2.961 2.538 3.963 . 0 0 "[ . 1 . 2]" 2
897 1 26 TYR QD 1 43 HIS HE1 . . 4.910 3.702 3.117 4.722 . 0 0 "[ . 1 . 2]" 2
898 1 8 GLU HA 1 8 GLU QG . . 3.680 2.767 2.152 3.464 . 0 0 "[ . 1 . 2]" 2
899 1 8 GLU QB 1 8 GLU QG . . 2.290 2.039 1.969 2.086 . 0 0 "[ . 1 . 2]" 2
900 1 9 PHE H 1 9 PHE QB . . 3.580 2.633 2.123 3.376 . 0 0 "[ . 1 . 2]" 2
901 1 9 PHE QB 1 10 ALA H . . 4.360 3.391 2.309 3.939 . 0 0 "[ . 1 . 2]" 2
902 1 11 ILE H 1 11 ILE QG . . 3.490 2.561 1.891 3.096 . 0 0 "[ . 1 . 2]" 2
903 1 14 ASN H 1 14 ASN QB . . 3.370 2.580 2.185 3.451 0.081 2 0 "[ . 1 . 2]" 2
904 1 14 ASN HA 1 14 ASN QD . . 4.480 3.164 2.067 4.029 . 0 0 "[ . 1 . 2]" 2
905 1 14 ASN QB 1 15 GLU H . . 4.010 2.917 2.082 4.010 . 0 0 "[ . 1 . 2]" 2
906 1 15 GLU H 1 16 PRO QD . . 4.540 4.247 3.916 4.377 . 0 0 "[ . 1 . 2]" 2
907 1 15 GLU HA 1 16 PRO QB . . 5.230 4.543 4.533 4.609 . 0 0 "[ . 1 . 2]" 2
908 1 15 GLU QG 1 16 PRO QD . . 3.610 2.610 1.806 3.379 . 0 0 "[ . 1 . 2]" 2
909 1 16 PRO QB 1 17 THR H . . 3.510 2.318 2.007 2.567 . 0 0 "[ . 1 . 2]" 2
910 1 16 PRO QB 1 17 THR MG . . 5.340 4.235 4.085 4.409 . 0 0 "[ . 1 . 2]" 2
911 1 16 PRO QB 1 18 TYR QD . . 5.320 4.255 3.726 4.617 . 0 0 "[ . 1 . 2]" 2
912 1 16 PRO QB 1 18 TYR QE . . 3.890 3.335 2.276 3.881 . 0 0 "[ . 1 . 2]" 2
913 1 16 PRO QG 1 17 THR H . . 4.200 3.985 3.715 4.188 . 0 0 "[ . 1 . 2]" 2
914 1 16 PRO QG 1 18 TYR QE . . 3.780 2.317 1.989 2.906 . 0 0 "[ . 1 . 2]" 2
915 1 16 PRO QD 1 18 TYR QE . . 4.710 3.940 3.109 4.714 0.004 8 0 "[ . 1 . 2]" 2
916 1 16 PRO QD 1 24 VAL MG1 . . 4.690 4.140 3.321 4.668 . 0 0 "[ . 1 . 2]" 2
917 1 17 THR HB 1 22 ASN QB . . 4.510 3.384 2.983 3.907 . 0 0 "[ . 1 . 2]" 2
918 1 17 THR MG 1 22 ASN QB . . 4.360 2.983 2.527 3.675 . 0 0 "[ . 1 . 2]" 2
919 1 20 LEU H 1 20 LEU QB . . 3.450 2.558 2.460 2.617 . 0 0 "[ . 1 . 2]" 2
920 1 20 LEU QB 1 20 LEU MD2 . . 2.990 2.078 1.987 2.213 . 0 0 "[ . 1 . 2]" 2
921 1 20 LEU QB 1 21 CYS H . . 3.530 2.649 2.492 2.826 . 0 0 "[ . 1 . 2]" 2
922 1 20 LEU MD1 1 60 PRO QB . . 4.380 3.660 3.279 4.196 . 0 0 "[ . 1 . 2]" 2
923 1 20 LEU MD1 1 60 PRO QG . . 3.510 2.163 1.850 2.714 . 0 0 "[ . 1 . 2]" 2
924 1 23 GLN H 1 23 GLN QB . . 3.480 2.479 2.400 2.528 . 0 0 "[ . 1 . 2]" 2
925 1 23 GLN QB 1 24 VAL H . . 2.990 2.477 2.053 2.693 . 0 0 "[ . 1 . 2]" 2
926 1 23 GLN QB 1 24 VAL MG2 . . 4.770 3.328 3.095 3.581 . 0 0 "[ . 1 . 2]" 2
927 1 23 GLN QB 1 26 TYR QE . . 3.990 3.246 2.023 3.904 . 0 0 "[ . 1 . 2]" 2
928 1 23 GLN QE 1 24 VAL H . . 5.340 4.409 3.093 4.945 . 0 0 "[ . 1 . 2]" 2
929 1 24 VAL MG2 1 26 TYR QB . . 4.310 3.149 2.656 3.400 . 0 0 "[ . 1 . 2]" 2
930 1 26 TYR HA 1 27 GLY QA . . 4.630 4.141 3.981 4.381 . 0 0 "[ . 1 . 2]" 2
931 1 26 TYR QB 1 27 GLY H . . 3.710 2.711 2.123 3.506 . 0 0 "[ . 1 . 2]" 2
932 1 26 TYR QB 1 43 HIS HD2 . . 5.340 5.201 5.015 5.348 0.008 4 0 "[ . 1 . 2]" 2
933 1 27 GLY QA 1 28 GLU H . . 2.710 2.178 2.111 2.271 . 0 0 "[ . 1 . 2]" 2
934 1 27 GLY QA 1 28 GLU QB . . 4.400 4.047 3.944 4.188 . 0 0 "[ . 1 . 2]" 2
935 1 28 GLU H 1 28 GLU QB . . 3.180 2.395 2.151 2.915 . 0 0 "[ . 1 . 2]" 2
936 1 28 GLU H 1 28 GLU QG . . 3.590 3.004 1.866 3.530 . 0 0 "[ . 1 . 2]" 2
937 1 28 GLU HA 1 28 GLU QG . . 3.480 2.680 2.135 3.446 . 0 0 "[ . 1 . 2]" 2
938 1 28 GLU QB 1 29 MET H . . 3.740 3.093 2.946 3.297 . 0 0 "[ . 1 . 2]" 2
939 1 28 GLU QB 1 44 PHE QB . . 4.270 3.453 2.563 4.398 0.128 18 0 "[ . 1 . 2]" 2
940 1 28 GLU QB 1 44 PHE QD . . 3.990 3.161 2.676 3.789 . 0 0 "[ . 1 . 2]" 2
941 1 28 GLU QB 1 44 PHE QE . . 4.090 2.871 2.590 3.286 . 0 0 "[ . 1 . 2]" 2
942 1 28 GLU QB 1 44 PHE HZ . . 4.390 3.361 2.904 3.941 . 0 0 "[ . 1 . 2]" 2
943 1 28 GLU QG 1 44 PHE QE . . 4.790 3.803 3.124 4.387 . 0 0 "[ . 1 . 2]" 2
944 1 30 ILE MG 1 52 LYS QG . . 4.730 3.368 2.243 4.274 . 0 0 "[ . 1 . 2]" 2
945 1 30 ILE MG 1 53 PRO QB . . 5.340 4.872 4.338 5.072 . 0 0 "[ . 1 . 2]" 2
946 1 30 ILE MG 1 53 PRO QG . . 3.520 3.312 2.687 3.527 0.007 1 0 "[ . 1 . 2]" 2
947 1 30 ILE HG13 1 53 PRO QG . . 4.550 4.079 3.413 4.438 . 0 0 "[ . 1 . 2]" 2
948 1 32 CYS HA 1 33 ASP QB . . 4.270 4.093 4.014 4.300 0.030 13 0 "[ . 1 . 2]" 2
949 1 33 ASP H 1 33 ASP QB . . 3.210 2.279 2.136 3.256 0.046 13 0 "[ . 1 . 2]" 2
950 1 33 ASP QB 1 56 LYS HA . . 5.280 3.668 3.262 4.442 . 0 0 "[ . 1 . 2]" 2
951 1 33 ASP QB 1 56 LYS QB . . 3.470 2.810 2.108 3.430 . 0 0 "[ . 1 . 2]" 2
952 1 33 ASP QB 1 56 LYS QG . . 4.960 4.155 3.389 4.968 0.008 2 0 "[ . 1 . 2]" 2
953 1 33 ASP QB 1 56 LYS QD . . 4.990 4.355 3.179 5.013 0.023 20 0 "[ . 1 . 2]" 2
954 1 33 ASP QB 1 57 TRP H . . 3.390 2.637 2.132 3.411 0.021 4 0 "[ . 1 . 2]" 2
955 1 33 ASP QB 1 57 TRP HA . . 5.340 4.526 4.151 5.094 . 0 0 "[ . 1 . 2]" 2
956 1 33 ASP QB 1 58 TYR QD . . 4.440 3.192 2.897 3.814 . 0 0 "[ . 1 . 2]" 2
957 1 33 ASP QB 1 58 TYR QE . . 3.770 2.796 2.580 3.245 . 0 0 "[ . 1 . 2]" 2
958 1 34 ASN HD21 1 36 GLN QB . . 4.890 3.281 2.953 4.753 . 0 0 "[ . 1 . 2]" 2
959 1 34 ASN HD21 1 38 PRO QD . . 4.720 4.587 4.394 4.756 0.036 13 0 "[ . 1 . 2]" 2
960 1 34 ASN HD22 1 36 GLN QB . . 3.940 2.171 1.886 3.833 . 0 0 "[ . 1 . 2]" 2
961 1 36 GLN H 1 36 GLN QB . . 3.290 2.335 2.127 2.589 . 0 0 "[ . 1 . 2]" 2
962 1 37 CYS H 1 38 PRO QD . . 4.400 4.026 3.867 4.175 . 0 0 "[ . 1 . 2]" 2
963 1 37 CYS HB3 1 40 GLU QB . . 5.240 3.537 2.252 4.103 . 0 0 "[ . 1 . 2]" 2
964 1 37 CYS HB3 1 40 GLU QG . . 4.100 2.245 1.910 4.144 0.044 15 0 "[ . 1 . 2]" 2
965 1 38 PRO QD 1 39 ILE HG13 . . 4.990 3.518 3.298 3.798 . 0 0 "[ . 1 . 2]" 2
966 1 38 PRO QD 1 39 ILE MD . . 5.350 4.032 3.866 4.306 . 0 0 "[ . 1 . 2]" 2
967 1 39 ILE H 1 40 GLU QB . . 5.340 4.114 3.709 4.390 . 0 0 "[ . 1 . 2]" 2
968 1 39 ILE MD 1 61 LYS QB . . 5.340 3.848 3.407 4.422 . 0 0 "[ . 1 . 2]" 2
969 1 40 GLU H 1 40 GLU QG . . 4.340 3.041 2.436 4.176 . 0 0 "[ . 1 . 2]" 2
970 1 40 GLU HA 1 40 GLU QG . . 3.150 2.267 2.120 2.556 . 0 0 "[ . 1 . 2]" 2
971 1 40 GLU QB 1 41 TRP H . . 3.890 3.824 3.791 3.850 . 0 0 "[ . 1 . 2]" 2
972 1 40 GLU QB 1 41 TRP HD1 . . 3.960 3.669 3.442 3.925 . 0 0 "[ . 1 . 2]" 2
973 1 40 GLU QB 1 41 TRP HE1 . . 4.400 3.786 3.503 3.975 . 0 0 "[ . 1 . 2]" 2
974 1 40 GLU QG 1 41 TRP H . . 5.090 4.556 4.418 4.682 . 0 0 "[ . 1 . 2]" 2
975 1 44 PHE H 1 44 PHE QB . . 3.200 2.237 2.157 2.301 . 0 0 "[ . 1 . 2]" 2
976 1 44 PHE QB 1 47 VAL MG2 . . 4.370 3.701 3.610 3.788 . 0 0 "[ . 1 . 2]" 2
977 1 44 PHE QB 1 49 LEU H . . 4.530 3.341 3.211 3.509 . 0 0 "[ . 1 . 2]" 2
978 1 44 PHE QB 1 49 LEU HB2 . . 3.770 2.810 2.610 2.992 . 0 0 "[ . 1 . 2]" 2
979 1 44 PHE QB 1 49 LEU HB3 . . 4.430 2.981 2.728 3.259 . 0 0 "[ . 1 . 2]" 2
980 1 45 SER H 1 45 SER QB . . 3.210 2.283 2.147 2.524 . 0 0 "[ . 1 . 2]" 2
981 1 45 SER QB 1 46 CYS H . . 3.220 2.606 2.478 2.775 . 0 0 "[ . 1 . 2]" 2
982 1 47 VAL MG1 1 60 PRO QB . . 5.340 4.192 3.682 4.683 . 0 0 "[ . 1 . 2]" 2
983 1 47 VAL MG1 1 60 PRO QG . . 3.540 2.692 2.109 3.167 . 0 0 "[ . 1 . 2]" 2
984 1 48 SER H 1 48 SER QB . . 3.490 2.940 2.769 3.354 . 0 0 "[ . 1 . 2]" 2
985 1 48 SER HA 1 48 SER QB . . 2.420 2.383 2.320 2.421 0.001 18 0 "[ . 1 . 2]" 2
986 1 49 LEU MD2 1 53 PRO QB . . 5.090 2.776 2.320 3.253 . 0 0 "[ . 1 . 2]" 2
987 1 49 LEU MD2 1 53 PRO QG . . 3.590 2.564 2.182 3.020 . 0 0 "[ . 1 . 2]" 2
988 1 51 TYR QB 1 52 LYS QB . . 4.970 3.892 3.714 4.222 . 0 0 "[ . 1 . 2]" 2
989 1 52 LYS HA 1 52 LYS QG . . 3.540 2.481 2.180 2.905 . 0 0 "[ . 1 . 2]" 2
990 1 52 LYS HA 1 53 PRO QG . . 4.280 3.773 3.766 3.801 . 0 0 "[ . 1 . 2]" 2
991 1 52 LYS QG 1 53 PRO HD2 . . 4.650 3.077 2.533 3.802 . 0 0 "[ . 1 . 2]" 2
992 1 52 LYS QG 1 53 PRO HD3 . . 4.360 4.268 3.907 4.548 0.188 20 0 "[ . 1 . 2]" 2
993 1 53 PRO QB 1 54 LYS H . . 3.620 3.291 2.206 3.656 0.036 12 0 "[ . 1 . 2]" 2
994 1 53 PRO QB 1 57 TRP HB2 . . 4.240 3.194 2.416 3.765 . 0 0 "[ . 1 . 2]" 2
995 1 53 PRO QB 1 57 TRP HD1 . . 4.500 3.048 2.029 3.837 . 0 0 "[ . 1 . 2]" 2
996 1 53 PRO QG 1 57 TRP HB2 . . 3.860 2.224 1.903 2.741 . 0 0 "[ . 1 . 2]" 2
997 1 53 PRO QG 1 57 TRP HB3 . . 4.370 3.225 2.788 3.681 . 0 0 "[ . 1 . 2]" 2
998 1 54 LYS H 1 54 LYS QB . . 3.250 2.307 2.155 2.745 . 0 0 "[ . 1 . 2]" 2
999 1 54 LYS H 1 54 LYS QG . . 4.240 3.162 2.026 4.052 . 0 0 "[ . 1 . 2]" 2
1000 1 54 LYS HA 1 54 LYS QG . . 3.490 2.611 2.127 3.435 . 0 0 "[ . 1 . 2]" 2
1001 1 54 LYS HA 1 55 GLY QA . . 4.470 3.992 3.903 4.091 . 0 0 "[ . 1 . 2]" 2
1002 1 54 LYS QB 1 54 LYS QD . . 2.620 2.214 2.009 2.569 . 0 0 "[ . 1 . 2]" 2
1003 1 54 LYS QB 1 55 GLY H . . 3.830 3.123 2.119 3.880 0.050 9 0 "[ . 1 . 2]" 2
1004 1 54 LYS QG 1 55 GLY H . . 4.720 3.559 1.992 4.560 . 0 0 "[ . 1 . 2]" 2
1005 1 55 GLY QA 1 56 LYS H . . 2.710 2.161 2.108 2.257 . 0 0 "[ . 1 . 2]" 2
1006 1 55 GLY QA 1 56 LYS HA . . 4.750 3.979 3.931 4.034 . 0 0 "[ . 1 . 2]" 2
1007 1 56 LYS H 1 56 LYS QB . . 3.120 2.755 2.410 3.153 0.033 6 0 "[ . 1 . 2]" 2
1008 1 56 LYS QB 1 56 LYS QD . . 3.030 2.151 2.038 2.440 . 0 0 "[ . 1 . 2]" 2
1009 1 56 LYS QB 1 57 TRP H . . 3.480 2.851 2.144 3.214 . 0 0 "[ . 1 . 2]" 2
1010 1 58 TYR HB2 1 63 ARG QB . . 3.870 2.823 2.616 3.144 . 0 0 "[ . 1 . 2]" 2
1011 1 58 TYR HB3 1 63 ARG QB . . 4.120 2.893 2.475 3.475 . 0 0 "[ . 1 . 2]" 2
1012 1 60 PRO HA 1 63 ARG QD . . 3.650 2.843 2.381 3.660 0.010 6 0 "[ . 1 . 2]" 2
1013 1 61 LYS H 1 61 LYS QB . . 3.050 2.221 2.159 2.311 . 0 0 "[ . 1 . 2]" 2
1014 1 61 LYS QB 1 61 LYS QD . . 2.780 2.136 1.993 2.304 . 0 0 "[ . 1 . 2]" 2
1015 1 61 LYS QB 1 62 CYS HA . . 4.650 3.999 3.948 4.037 . 0 0 "[ . 1 . 2]" 2
1016 1 62 CYS H 1 63 ARG QB . . 5.290 4.410 3.957 4.543 . 0 0 "[ . 1 . 2]" 2
1017 1 63 ARG H 1 63 ARG QB . . 2.940 2.404 2.093 2.660 . 0 0 "[ . 1 . 2]" 2
1018 1 63 ARG H 1 63 ARG QD . . 5.340 4.084 3.686 4.409 . 0 0 "[ . 1 . 2]" 2
1019 1 63 ARG QB 1 63 ARG QD . . 3.100 2.244 2.046 2.556 . 0 0 "[ . 1 . 2]" 2
1020 1 67 GLY H 1 68 PRO QB . . 4.660 4.555 4.150 4.807 0.147 18 0 "[ . 1 . 2]" 2
1021 1 67 GLY QA 1 68 PRO QD . . 2.990 2.178 1.960 2.337 . 0 0 "[ . 1 . 2]" 2
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