NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
505888 |
1wen   |
11354 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wen
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 290
_Distance_constraint_stats_list.Viol_total 61.281
_Distance_constraint_stats_list.Viol_max 0.056
_Distance_constraint_stats_list.Viol_rms 0.0089
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0106
_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 0.437 0.027 8 0 "[ . 1 . 2]"
1 21 CYS 0.868 0.046 19 0 "[ . 1 . 2]"
1 32 CYS 0.206 0.016 14 0 "[ . 1 . 2]"
1 37 CYS 0.197 0.013 9 0 "[ . 1 . 2]"
1 43 HIS 0.508 0.029 13 0 "[ . 1 . 2]"
1 46 CYS 1.268 0.056 13 0 "[ . 1 . 2]"
1 59 CYS 0.217 0.015 10 0 "[ . 1 . 2]"
1 62 CYS 0.148 0.016 14 0 "[ . 1 . 2]"
2 1 ZN 1.836 0.056 13 0 "[ . 1 . 2]"
3 1 ZN 0.444 0.015 10 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 2.371 2.323 2.384 0.014 16 0 "[ . 1 . 2]" 1
2 1 21 CYS SG 2 1 ZN ZN . 2.330 2.370 2.310 2.284 2.330 0.046 19 0 "[ . 1 . 2]" 1
3 1 46 CYS SG 2 1 ZN ZN . 2.330 2.370 2.302 2.274 2.326 0.056 13 0 "[ . 1 . 2]" 1
4 1 43 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.318 2.303 2.333 0.027 13 0 "[ . 1 . 2]" 1
5 1 19 CYS CB 2 1 ZN ZN . 3.250 3.510 3.235 3.223 3.249 0.027 8 0 "[ . 1 . 2]" 1
6 1 21 CYS CB 2 1 ZN ZN . 3.250 3.510 3.459 3.282 3.528 0.018 13 0 "[ . 1 . 2]" 1
7 1 43 HIS CG 2 1 ZN ZN . 3.250 3.510 3.382 3.245 3.498 0.005 4 0 "[ . 1 . 2]" 1
8 1 46 CYS CB 2 1 ZN ZN . 3.250 3.510 3.469 3.240 3.523 0.013 12 0 "[ . 1 . 2]" 1
9 1 19 CYS SG 1 21 CYS SG . 3.200 4.000 3.417 3.219 4.004 0.004 4 0 "[ . 1 . 2]" 1
10 1 19 CYS SG 1 43 HIS ND1 . 3.200 4.000 3.437 3.211 3.666 . 0 0 "[ . 1 . 2]" 1
11 1 19 CYS SG 1 46 CYS SG . 3.200 4.000 3.591 3.291 4.005 0.005 4 0 "[ . 1 . 2]" 1
12 1 21 CYS SG 1 43 HIS ND1 . 3.200 4.000 3.886 3.617 4.007 0.007 4 0 "[ . 1 . 2]" 1
13 1 21 CYS SG 1 46 CYS SG . 3.200 4.000 3.939 3.202 4.038 0.038 19 0 "[ . 1 . 2]" 1
14 1 43 HIS ND1 1 46 CYS SG . 3.200 4.000 4.011 3.983 4.029 0.029 13 0 "[ . 1 . 2]" 1
15 1 32 CYS SG 3 1 ZN ZN . 2.330 2.370 2.330 2.320 2.371 0.010 14 0 "[ . 1 . 2]" 1
16 1 37 CYS SG 3 1 ZN ZN . 2.330 2.370 2.348 2.318 2.376 0.012 14 0 "[ . 1 . 2]" 1
17 1 59 CYS SG 3 1 ZN ZN . 2.330 2.370 2.324 2.315 2.330 0.015 10 0 "[ . 1 . 2]" 1
18 1 62 CYS SG 3 1 ZN ZN . 2.330 2.370 2.328 2.321 2.339 0.009 14 0 "[ . 1 . 2]" 1
19 1 32 CYS CB 3 1 ZN ZN . 3.250 3.510 3.265 3.238 3.359 0.012 8 0 "[ . 1 . 2]" 1
20 1 37 CYS CB 3 1 ZN ZN . 3.250 3.510 3.246 3.237 3.263 0.013 9 0 "[ . 1 . 2]" 1
21 1 59 CYS CB 3 1 ZN ZN . 3.250 3.510 3.327 3.245 3.518 0.008 18 0 "[ . 1 . 2]" 1
22 1 62 CYS CB 3 1 ZN ZN . 3.250 3.510 3.426 3.307 3.511 0.001 3 0 "[ . 1 . 2]" 1
23 1 32 CYS SG 1 37 CYS SG . 3.200 4.000 3.910 3.714 4.006 0.006 3 0 "[ . 1 . 2]" 1
24 1 32 CYS SG 1 59 CYS SG . 3.200 4.000 3.971 3.869 4.005 0.005 1 0 "[ . 1 . 2]" 1
25 1 32 CYS SG 1 62 CYS SG . 3.200 4.000 4.001 3.948 4.016 0.016 14 0 "[ . 1 . 2]" 1
26 1 37 CYS SG 1 59 CYS SG . 3.200 4.000 3.989 3.928 4.009 0.009 14 0 "[ . 1 . 2]" 1
27 1 37 CYS SG 1 62 CYS SG . 3.200 4.000 3.505 3.210 3.790 . 0 0 "[ . 1 . 2]" 1
28 1 59 CYS SG 1 62 CYS SG . 3.200 4.000 3.259 3.196 3.446 0.004 9 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 1042
_Distance_constraint_stats_list.Viol_count 570
_Distance_constraint_stats_list.Viol_total 237.938
_Distance_constraint_stats_list.Viol_max 0.211
_Distance_constraint_stats_list.Viol_rms 0.0057
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0209
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.413 0.196 15 0 "[ . 1 . 2]"
1 11 VAL 0.628 0.196 15 0 "[ . 1 . 2]"
1 12 ASP 0.227 0.070 16 0 "[ . 1 . 2]"
1 13 PRO 0.153 0.113 15 0 "[ . 1 . 2]"
1 14 ASN 0.215 0.113 15 0 "[ . 1 . 2]"
1 15 GLU 0.159 0.055 15 0 "[ . 1 . 2]"
1 16 PRO 0.197 0.031 3 0 "[ . 1 . 2]"
1 17 THR 0.422 0.061 6 0 "[ . 1 . 2]"
1 18 TYR 1.072 0.061 6 0 "[ . 1 . 2]"
1 19 CYS 0.254 0.037 7 0 "[ . 1 . 2]"
1 20 LEU 0.507 0.075 14 0 "[ . 1 . 2]"
1 21 CYS 0.464 0.075 14 0 "[ . 1 . 2]"
1 22 HIS 0.030 0.010 20 0 "[ . 1 . 2]"
1 23 GLN 0.401 0.046 17 0 "[ . 1 . 2]"
1 24 VAL 0.183 0.025 20 0 "[ . 1 . 2]"
1 25 SER 0.157 0.025 20 0 "[ . 1 . 2]"
1 26 TYR 0.318 0.114 16 0 "[ . 1 . 2]"
1 27 GLY 0.164 0.114 16 0 "[ . 1 . 2]"
1 28 GLU 0.098 0.024 10 0 "[ . 1 . 2]"
1 29 MET 2.516 0.131 19 0 "[ . 1 . 2]"
1 30 ILE 2.955 0.131 19 0 "[ . 1 . 2]"
1 31 GLY 0.186 0.039 14 0 "[ . 1 . 2]"
1 32 CYS 0.001 0.001 13 0 "[ . 1 . 2]"
1 33 ASP 0.153 0.039 14 0 "[ . 1 . 2]"
1 34 ASN 0.394 0.043 9 0 "[ . 1 . 2]"
1 35 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASP 0.217 0.057 9 0 "[ . 1 . 2]"
1 37 CYS 0.516 0.057 9 0 "[ . 1 . 2]"
1 38 SER 0.001 0.001 18 0 "[ . 1 . 2]"
1 39 ILE 0.090 0.027 9 0 "[ . 1 . 2]"
1 40 GLU 0.399 0.090 7 0 "[ . 1 . 2]"
1 41 TRP 0.516 0.054 10 0 "[ . 1 . 2]"
1 42 PHE 0.095 0.021 8 0 "[ . 1 . 2]"
1 43 HIS 0.149 0.041 17 0 "[ . 1 . 2]"
1 44 PHE 1.037 0.061 20 0 "[ . 1 . 2]"
1 45 ALA 0.096 0.046 9 0 "[ . 1 . 2]"
1 46 CYS 0.050 0.024 5 0 "[ . 1 . 2]"
1 47 VAL 0.136 0.033 8 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LEU 0.418 0.046 9 0 "[ . 1 . 2]"
1 50 THR 0.205 0.061 20 0 "[ . 1 . 2]"
1 51 THR 0.033 0.014 7 0 "[ . 1 . 2]"
1 52 LYS 0.197 0.058 9 0 "[ . 1 . 2]"
1 53 PRO 0.062 0.016 15 0 "[ . 1 . 2]"
1 54 ARG 0.895 0.086 20 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LYS 0.213 0.063 4 0 "[ . 1 . 2]"
1 57 TRP 0.163 0.026 12 0 "[ . 1 . 2]"
1 58 PHE 0.445 0.024 4 0 "[ . 1 . 2]"
1 59 CYS 0.511 0.039 18 0 "[ . 1 . 2]"
1 60 PRO 0.203 0.024 3 0 "[ . 1 . 2]"
1 61 ARG 0.590 0.187 18 0 "[ . 1 . 2]"
1 62 CYS 0.600 0.149 18 0 "[ . 1 . 2]"
1 63 SER 0.667 0.168 19 0 "[ . 1 . 2]"
1 64 GLN 0.571 0.211 17 0 "[ . 1 . 2]"
1 65 GLU 0.110 0.067 12 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLY 0.028 0.028 3 0 "[ . 1 . 2]"
1 68 PRO 0.028 0.028 3 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 33 ASP H 1 34 ASN H . . 2.820 2.549 2.150 2.837 0.017 3 0 "[ . 1 . 2]" 2
2 1 32 CYS HA 1 33 ASP H . . 3.380 2.236 2.151 2.361 . 0 0 "[ . 1 . 2]" 2
3 1 20 LEU H 1 21 CYS H . . 3.220 2.701 2.586 2.818 . 0 0 "[ . 1 . 2]" 2
4 1 20 LEU H 1 20 LEU HB3 . . 3.690 3.583 3.575 3.588 . 0 0 "[ . 1 . 2]" 2
5 1 20 LEU H 1 20 LEU MD1 . . 4.150 1.860 1.795 1.966 . 0 0 "[ . 1 . 2]" 2
6 1 12 ASP H 1 12 ASP HB2 . . 4.050 3.251 2.283 3.855 . 0 0 "[ . 1 . 2]" 2
7 1 56 LYS HA 1 57 TRP H . . 3.010 2.266 2.147 2.501 . 0 0 "[ . 1 . 2]" 2
8 1 57 TRP H 1 57 TRP HB2 . . 4.070 3.281 2.943 3.481 . 0 0 "[ . 1 . 2]" 2
9 1 57 TRP H 1 57 TRP HB3 . . 4.070 2.751 2.561 3.040 . 0 0 "[ . 1 . 2]" 2
10 1 56 LYS HB3 1 57 TRP H . . 4.240 3.346 2.224 4.239 . 0 0 "[ . 1 . 2]" 2
11 1 44 PHE QE 1 52 LYS H . . 3.960 2.656 2.217 3.119 . 0 0 "[ . 1 . 2]" 2
12 1 51 THR HA 1 52 LYS H . . 3.190 2.369 2.208 2.525 . 0 0 "[ . 1 . 2]" 2
13 1 51 THR HB 1 52 LYS H . . 3.760 2.999 2.112 3.770 0.010 9 0 "[ . 1 . 2]" 2
14 1 52 LYS H 1 52 LYS HB2 . . 3.200 2.279 2.168 2.487 . 0 0 "[ . 1 . 2]" 2
15 1 51 THR MG 1 52 LYS H . . 4.220 3.060 1.822 3.813 . 0 0 "[ . 1 . 2]" 2
16 1 31 GLY HA2 1 32 CYS H . . 3.380 2.178 2.138 2.233 . 0 0 "[ . 1 . 2]" 2
17 1 32 CYS H 1 32 CYS HB2 . . 3.380 2.336 2.296 2.419 . 0 0 "[ . 1 . 2]" 2
18 1 12 ASP H 1 12 ASP HB3 . . 4.050 3.847 3.554 4.020 . 0 0 "[ . 1 . 2]" 2
19 1 39 ILE H 1 40 GLU H . . 3.340 2.789 2.675 2.885 . 0 0 "[ . 1 . 2]" 2
20 1 39 ILE H 1 39 ILE HB . . 3.450 2.516 2.401 2.653 . 0 0 "[ . 1 . 2]" 2
21 1 38 SER H 1 39 ILE H . . 2.930 2.485 2.159 2.777 . 0 0 "[ . 1 . 2]" 2
22 1 33 ASP H 1 59 CYS H . . 4.590 4.110 3.796 4.392 . 0 0 "[ . 1 . 2]" 2
23 1 58 PHE HA 1 59 CYS H . . 3.180 2.146 2.138 2.169 . 0 0 "[ . 1 . 2]" 2
24 1 59 CYS H 1 62 CYS HB2 . . 4.160 3.694 3.607 3.770 . 0 0 "[ . 1 . 2]" 2
25 1 58 PHE HB3 1 59 CYS H . . 4.000 3.525 3.345 3.789 . 0 0 "[ . 1 . 2]" 2
26 1 59 CYS H 1 59 CYS HB2 . . 3.700 3.558 3.541 3.587 . 0 0 "[ . 1 . 2]" 2
27 1 59 CYS H 1 59 CYS HB3 . . 3.470 2.303 2.256 2.371 . 0 0 "[ . 1 . 2]" 2
28 1 36 ASP H 1 37 CYS H . . 3.380 2.429 2.105 2.599 . 0 0 "[ . 1 . 2]" 2
29 1 37 CYS H 1 37 CYS HB2 . . 3.250 2.226 2.182 2.278 . 0 0 "[ . 1 . 2]" 2
30 1 37 CYS H 1 37 CYS HB3 . . 3.210 2.951 2.866 3.029 . 0 0 "[ . 1 . 2]" 2
31 1 34 ASN HB2 1 37 CYS H . . 4.400 4.193 4.112 4.260 . 0 0 "[ . 1 . 2]" 2
32 1 29 MET HA 1 44 PHE H . . 4.100 3.170 2.986 3.368 . 0 0 "[ . 1 . 2]" 2
33 1 43 HIS HA 1 44 PHE H . . 3.240 2.188 2.144 2.265 . 0 0 "[ . 1 . 2]" 2
34 1 43 HIS HB3 1 44 PHE H . . 4.090 3.114 2.811 3.382 . 0 0 "[ . 1 . 2]" 2
35 1 44 PHE H 1 44 PHE HB3 . . 3.830 3.563 3.546 3.593 . 0 0 "[ . 1 . 2]" 2
36 1 44 PHE H 1 44 PHE HB2 . . 3.560 2.319 2.283 2.387 . 0 0 "[ . 1 . 2]" 2
37 1 62 CYS H 1 62 CYS HB3 . . 3.770 3.627 3.552 3.662 . 0 0 "[ . 1 . 2]" 2
38 1 62 CYS H 1 62 CYS HB2 . . 3.340 2.401 2.273 2.460 . 0 0 "[ . 1 . 2]" 2
39 1 61 ARG HB3 1 62 CYS H . . 4.090 3.856 3.092 4.111 0.021 20 0 "[ . 1 . 2]" 2
40 1 29 MET H 1 29 MET HG2 . . 4.080 3.982 3.830 4.094 0.014 10 0 "[ . 1 . 2]" 2
41 1 29 MET H 1 29 MET HB2 . . 3.980 2.756 2.669 2.861 . 0 0 "[ . 1 . 2]" 2
42 1 29 MET H 1 29 MET HB3 . . 3.980 3.840 3.793 3.887 . 0 0 "[ . 1 . 2]" 2
43 1 28 GLU HB3 1 29 MET H . . 4.490 3.159 3.028 3.340 . 0 0 "[ . 1 . 2]" 2
44 1 57 TRP HA 1 58 PHE H . . 2.860 2.162 2.140 2.289 . 0 0 "[ . 1 . 2]" 2
45 1 58 PHE H 1 58 PHE HB3 . . 3.850 3.725 3.663 3.868 0.018 20 0 "[ . 1 . 2]" 2
46 1 58 PHE H 1 58 PHE HB2 . . 3.530 2.580 2.455 2.799 . 0 0 "[ . 1 . 2]" 2
47 1 34 ASN H 1 34 ASN HB2 . . 3.330 2.336 2.126 2.883 . 0 0 "[ . 1 . 2]" 2
48 1 34 ASN H 1 34 ASN HB3 . . 3.400 2.861 2.660 3.063 . 0 0 "[ . 1 . 2]" 2
49 1 38 SER H 1 38 SER QB . . 3.420 2.371 2.194 2.801 . 0 0 "[ . 1 . 2]" 2
50 1 37 CYS HA 1 38 SER H . . 3.040 2.167 2.139 2.287 . 0 0 "[ . 1 . 2]" 2
51 1 42 PHE H 1 43 HIS H . . 4.450 4.397 4.319 4.420 . 0 0 "[ . 1 . 2]" 2
52 1 42 PHE HA 1 43 HIS H . . 3.190 2.485 2.215 2.598 . 0 0 "[ . 1 . 2]" 2
53 1 43 HIS H 1 43 HIS HB2 . . 3.600 2.593 2.493 2.659 . 0 0 "[ . 1 . 2]" 2
54 1 43 HIS H 1 43 HIS HB3 . . 3.790 3.691 3.605 3.737 . 0 0 "[ . 1 . 2]" 2
55 1 42 PHE HB3 1 43 HIS H . . 3.550 2.311 2.063 2.969 . 0 0 "[ . 1 . 2]" 2
56 1 43 HIS H 1 47 VAL MG1 . . 4.260 3.253 2.791 4.011 . 0 0 "[ . 1 . 2]" 2
57 1 14 ASN HB2 1 15 GLU H . . 4.570 2.913 2.073 4.191 . 0 0 "[ . 1 . 2]" 2
58 1 15 GLU H 1 15 GLU QG . . 3.890 3.246 2.383 3.886 . 0 0 "[ . 1 . 2]" 2
59 1 15 GLU H 1 15 GLU HB2 . . 3.060 2.403 2.179 2.741 . 0 0 "[ . 1 . 2]" 2
60 1 27 GLY HA2 1 28 GLU H . . 3.010 2.648 2.515 2.988 . 0 0 "[ . 1 . 2]" 2
61 1 27 GLY HA3 1 28 GLU H . . 3.010 2.490 2.223 2.612 . 0 0 "[ . 1 . 2]" 2
62 1 28 GLU H 1 28 GLU HG2 . . 4.100 3.336 2.272 4.073 . 0 0 "[ . 1 . 2]" 2
63 1 28 GLU H 1 28 GLU HG3 . . 4.100 3.422 2.480 4.073 . 0 0 "[ . 1 . 2]" 2
64 1 28 GLU H 1 28 GLU HB2 . . 4.010 2.352 2.233 2.512 . 0 0 "[ . 1 . 2]" 2
65 1 28 GLU H 1 28 GLU HB3 . . 4.010 3.567 3.523 3.626 . 0 0 "[ . 1 . 2]" 2
66 1 29 MET HA 1 30 ILE H . . 3.190 2.421 2.325 2.470 . 0 0 "[ . 1 . 2]" 2
67 1 29 MET HB2 1 30 ILE H . . 3.880 3.563 3.398 3.801 . 0 0 "[ . 1 . 2]" 2
68 1 29 MET HB3 1 30 ILE H . . 3.880 2.408 2.281 2.649 . 0 0 "[ . 1 . 2]" 2
69 1 30 ILE H 1 30 ILE HB . . 4.140 3.896 3.824 3.942 . 0 0 "[ . 1 . 2]" 2
70 1 8 ASP HA 1 9 MET H . . 3.420 2.229 2.140 2.539 . 0 0 "[ . 1 . 2]" 2
71 1 9 MET H 1 9 MET HB2 . . 3.760 2.969 2.145 3.738 . 0 0 "[ . 1 . 2]" 2
72 1 9 MET H 1 9 MET HB3 . . 3.760 3.091 2.316 3.754 . 0 0 "[ . 1 . 2]" 2
73 1 53 PRO HA 1 54 ARG H . . 3.160 2.221 2.151 2.368 . 0 0 "[ . 1 . 2]" 2
74 1 54 ARG H 1 54 ARG HB2 . . 3.980 2.426 2.177 3.509 . 0 0 "[ . 1 . 2]" 2
75 1 54 ARG H 1 54 ARG HB3 . . 3.980 3.138 2.475 3.592 . 0 0 "[ . 1 . 2]" 2
76 1 11 VAL H 1 12 ASP H . . 4.680 4.557 4.347 4.642 . 0 0 "[ . 1 . 2]" 2
77 1 10 PRO HA 1 11 VAL H . . 3.100 2.496 2.153 3.258 0.158 20 0 "[ . 1 . 2]" 2
78 1 11 VAL H 1 11 VAL HB . . 3.950 3.612 2.850 3.832 . 0 0 "[ . 1 . 2]" 2
79 1 7 GLY QA 1 8 ASP H . . 3.230 2.239 2.109 2.684 . 0 0 "[ . 1 . 2]" 2
80 1 41 TRP H 1 41 TRP HB3 . . 4.050 3.921 3.873 3.951 . 0 0 "[ . 1 . 2]" 2
81 1 41 TRP H 1 41 TRP HB2 . . 3.520 2.981 2.947 3.000 . 0 0 "[ . 1 . 2]" 2
82 1 65 GLU H 1 65 GLU HB2 . . 3.880 2.711 2.171 3.679 . 0 0 "[ . 1 . 2]" 2
83 1 63 SER H 1 64 GLN H . . 3.630 2.804 2.557 3.044 . 0 0 "[ . 1 . 2]" 2
84 1 64 GLN H 1 65 GLU H . . 3.750 3.247 2.647 3.735 . 0 0 "[ . 1 . 2]" 2
85 1 64 GLN H 1 64 GLN HG2 . . 5.420 3.807 2.069 5.210 . 0 0 "[ . 1 . 2]" 2
86 1 64 GLN H 1 64 GLN HG3 . . 5.420 3.628 1.876 4.931 . 0 0 "[ . 1 . 2]" 2
87 1 64 GLN H 1 64 GLN HB2 . . 3.740 2.901 2.179 3.691 . 0 0 "[ . 1 . 2]" 2
88 1 64 GLN H 1 64 GLN HB3 . . 3.740 2.997 2.399 3.951 0.211 17 0 "[ . 1 . 2]" 2
89 1 65 GLU H 1 65 GLU HB3 . . 3.880 2.891 2.422 3.688 . 0 0 "[ . 1 . 2]" 2
90 1 65 GLU H 1 65 GLU HG2 . . 5.210 4.163 2.077 4.919 . 0 0 "[ . 1 . 2]" 2
91 1 65 GLU H 1 65 GLU HG3 . . 5.210 4.259 2.959 4.691 . 0 0 "[ . 1 . 2]" 2
92 1 25 SER HA 1 26 TYR H . . 2.980 2.166 2.139 2.242 . 0 0 "[ . 1 . 2]" 2
93 1 25 SER QB 1 26 TYR H . . 3.990 3.795 3.218 3.967 . 0 0 "[ . 1 . 2]" 2
94 1 26 TYR H 1 29 MET ME . . 4.020 3.873 3.405 4.051 0.031 10 0 "[ . 1 . 2]" 2
95 1 39 ILE HB 1 40 GLU H . . 3.770 2.145 2.017 2.364 . 0 0 "[ . 1 . 2]" 2
96 1 49 LEU H 1 49 LEU MD2 . . 4.370 4.153 4.066 4.278 . 0 0 "[ . 1 . 2]" 2
97 1 48 GLY H 1 49 LEU H . . 3.560 3.114 2.139 3.381 . 0 0 "[ . 1 . 2]" 2
98 1 45 ALA HA 1 49 LEU H . . 4.120 3.484 3.112 4.166 0.046 9 0 "[ . 1 . 2]" 2
99 1 44 PHE HA 1 49 LEU H . . 3.600 3.403 2.856 3.631 0.031 19 0 "[ . 1 . 2]" 2
100 1 49 LEU H 1 49 LEU HG . . 3.670 3.541 3.013 3.686 0.016 19 0 "[ . 1 . 2]" 2
101 1 47 VAL MG2 1 49 LEU H . . 3.450 2.944 1.875 3.357 . 0 0 "[ . 1 . 2]" 2
102 1 49 LEU H 1 49 LEU HB2 . . 3.630 2.360 2.176 2.441 . 0 0 "[ . 1 . 2]" 2
103 1 49 LEU H 1 49 LEU HB3 . . 3.670 3.537 3.473 3.579 . 0 0 "[ . 1 . 2]" 2
104 1 22 HIS H 1 22 HIS HA . . 2.890 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 2
105 1 22 HIS H 1 23 GLN H . . 3.490 2.762 2.660 2.801 . 0 0 "[ . 1 . 2]" 2
106 1 19 CYS HB3 1 22 HIS H . . 4.260 3.562 3.356 3.867 . 0 0 "[ . 1 . 2]" 2
107 1 18 TYR H 1 23 GLN H . . 4.220 3.789 3.303 4.096 . 0 0 "[ . 1 . 2]" 2
108 1 18 TYR H 1 19 CYS H . . 4.480 2.511 2.247 2.623 . 0 0 "[ . 1 . 2]" 2
109 1 17 THR MG 1 18 TYR H . . 3.940 3.756 3.587 3.918 . 0 0 "[ . 1 . 2]" 2
110 1 60 PRO HD2 1 61 ARG H . . 4.270 3.107 2.944 3.289 . 0 0 "[ . 1 . 2]" 2
111 1 18 TYR H 1 18 TYR HB2 . . 3.170 2.647 2.560 2.730 . 0 0 "[ . 1 . 2]" 2
112 1 61 ARG H 1 61 ARG HB3 . . 3.910 3.584 2.278 3.733 . 0 0 "[ . 1 . 2]" 2
113 1 59 CYS HB3 1 61 ARG H . . 4.650 4.072 4.057 4.109 . 0 0 "[ . 1 . 2]" 2
114 1 61 ARG H 1 61 ARG HG2 . . 4.100 3.855 2.818 4.126 0.026 4 0 "[ . 1 . 2]" 2
115 1 61 ARG H 1 61 ARG HG3 . . 4.100 3.098 2.491 4.287 0.187 18 0 "[ . 1 . 2]" 2
116 1 14 ASN H 1 15 GLU H . . 3.390 2.894 2.488 3.143 . 0 0 "[ . 1 . 2]" 2
117 1 13 PRO QD 1 14 ASN H . . 3.830 2.724 2.602 2.960 . 0 0 "[ . 1 . 2]" 2
118 1 12 ASP HB2 1 14 ASN H . . 4.540 3.157 2.265 4.452 . 0 0 "[ . 1 . 2]" 2
119 1 13 PRO QG 1 14 ASN H . . 3.770 2.652 1.848 3.292 . 0 0 "[ . 1 . 2]" 2
120 1 30 ILE H 1 42 PHE H . . 3.930 2.563 2.444 2.754 . 0 0 "[ . 1 . 2]" 2
121 1 41 TRP HB3 1 42 PHE H . . 3.740 3.454 3.219 3.658 . 0 0 "[ . 1 . 2]" 2
122 1 34 ASN HD21 1 37 CYS H . . 3.780 2.817 2.168 3.525 . 0 0 "[ . 1 . 2]" 2
123 1 41 TRP HA 1 42 PHE H . . 3.130 2.144 2.140 2.165 . 0 0 "[ . 1 . 2]" 2
124 1 42 PHE H 1 42 PHE HB3 . . 4.100 3.904 3.876 3.921 . 0 0 "[ . 1 . 2]" 2
125 1 34 ASN HB3 1 34 ASN HD21 . . 3.510 2.258 2.128 2.529 . 0 0 "[ . 1 . 2]" 2
126 1 30 ILE MD 1 42 PHE H . . 4.130 2.203 1.866 2.759 . 0 0 "[ . 1 . 2]" 2
127 1 22 HIS HA 1 23 GLN H . . 3.380 2.649 2.615 2.828 . 0 0 "[ . 1 . 2]" 2
128 1 23 GLN H 1 23 GLN HB3 . . 4.090 3.663 3.602 3.748 . 0 0 "[ . 1 . 2]" 2
129 1 23 GLN H 1 23 GLN HB2 . . 3.580 2.473 2.392 2.589 . 0 0 "[ . 1 . 2]" 2
130 1 45 ALA H 1 46 CYS H . . 3.570 2.933 2.674 3.110 . 0 0 "[ . 1 . 2]" 2
131 1 43 HIS HB2 1 46 CYS H . . 3.370 2.640 2.348 2.941 . 0 0 "[ . 1 . 2]" 2
132 1 43 HIS HB3 1 46 CYS H . . 3.730 3.293 3.030 3.485 . 0 0 "[ . 1 . 2]" 2
133 1 46 CYS H 1 46 CYS HB2 . . 3.160 2.251 2.173 2.406 . 0 0 "[ . 1 . 2]" 2
134 1 46 CYS H 1 46 CYS HB3 . . 3.680 3.529 3.485 3.592 . 0 0 "[ . 1 . 2]" 2
135 1 45 ALA MB 1 46 CYS H . . 3.710 2.465 2.271 2.737 . 0 0 "[ . 1 . 2]" 2
136 1 46 CYS H 1 47 VAL MG2 . . 4.200 3.980 3.752 4.224 0.024 16 0 "[ . 1 . 2]" 2
137 1 44 PHE H 1 45 ALA H . . 4.090 3.091 2.772 3.323 . 0 0 "[ . 1 . 2]" 2
138 1 43 HIS HB3 1 45 ALA H . . 4.250 3.614 2.922 3.954 . 0 0 "[ . 1 . 2]" 2
139 1 44 PHE HB3 1 45 ALA H . . 3.650 2.881 2.625 3.402 . 0 0 "[ . 1 . 2]" 2
140 1 44 PHE HB2 1 45 ALA H . . 3.690 2.401 2.271 2.815 . 0 0 "[ . 1 . 2]" 2
141 1 30 ILE HG12 1 31 GLY H . . 3.500 3.090 2.841 3.403 . 0 0 "[ . 1 . 2]" 2
142 1 18 TYR HB3 1 19 CYS H . . 3.350 3.142 2.951 3.362 0.012 15 0 "[ . 1 . 2]" 2
143 1 19 CYS H 1 19 CYS HB2 . . 4.000 2.540 2.352 2.664 . 0 0 "[ . 1 . 2]" 2
144 1 18 TYR HB2 1 19 CYS H . . 3.660 1.993 1.899 2.227 . 0 0 "[ . 1 . 2]" 2
145 1 18 TYR QD 1 25 SER H . . 4.280 4.175 3.761 4.286 0.006 7 0 "[ . 1 . 2]" 2
146 1 24 VAL HA 1 25 SER H . . 3.260 2.416 2.330 2.563 . 0 0 "[ . 1 . 2]" 2
147 1 24 VAL HB 1 25 SER H . . 3.160 2.412 2.184 2.594 . 0 0 "[ . 1 . 2]" 2
148 1 24 VAL MG2 1 25 SER H . . 3.620 3.148 2.691 3.433 . 0 0 "[ . 1 . 2]" 2
149 1 35 PRO HD3 1 36 ASP H . . 4.220 3.867 3.837 3.981 . 0 0 "[ . 1 . 2]" 2
150 1 51 THR H 1 51 THR MG . . 4.210 3.343 2.401 4.055 . 0 0 "[ . 1 . 2]" 2
151 1 63 SER H 1 63 SER HB2 . . 3.290 2.517 2.176 2.749 . 0 0 "[ . 1 . 2]" 2
152 1 63 SER H 1 63 SER HB3 . . 3.290 2.640 2.341 3.458 0.168 19 0 "[ . 1 . 2]" 2
153 1 62 CYS HB2 1 63 SER H . . 4.020 2.563 2.332 2.868 . 0 0 "[ . 1 . 2]" 2
154 1 20 LEU HG 1 21 CYS H . . 4.760 4.748 4.617 4.835 0.075 14 0 "[ . 1 . 2]" 2
155 1 19 CYS HB3 1 21 CYS H . . 3.930 3.539 2.993 3.854 . 0 0 "[ . 1 . 2]" 2
156 1 21 CYS H 1 21 CYS HB2 . . 3.700 3.478 2.493 3.592 . 0 0 "[ . 1 . 2]" 2
157 1 21 CYS H 1 21 CYS HB3 . . 3.700 2.572 2.333 3.592 . 0 0 "[ . 1 . 2]" 2
158 1 20 LEU MD1 1 21 CYS H . . 4.290 3.479 3.166 3.746 . 0 0 "[ . 1 . 2]" 2
159 1 23 GLN HA 1 24 VAL H . . 3.250 2.462 2.401 2.640 . 0 0 "[ . 1 . 2]" 2
160 1 23 GLN HB3 1 24 VAL H . . 3.160 2.311 1.947 2.439 . 0 0 "[ . 1 . 2]" 2
161 1 23 GLN HB2 1 24 VAL H . . 3.770 3.666 3.290 3.782 0.012 10 0 "[ . 1 . 2]" 2
162 1 24 VAL H 1 24 VAL MG2 . . 2.830 2.129 2.032 2.320 . 0 0 "[ . 1 . 2]" 2
163 1 54 ARG HA 1 55 GLY H . . 3.280 2.320 2.153 2.589 . 0 0 "[ . 1 . 2]" 2
164 1 26 TYR HA 1 27 GLY H . . 3.310 2.444 2.200 3.424 0.114 16 0 "[ . 1 . 2]" 2
165 1 26 TYR HB2 1 27 GLY H . . 4.250 2.684 2.323 3.990 . 0 0 "[ . 1 . 2]" 2
166 1 26 TYR HB3 1 27 GLY H . . 4.250 3.977 3.772 4.256 0.006 11 0 "[ . 1 . 2]" 2
167 1 16 PRO HA 1 17 THR H . . 2.820 2.225 2.151 2.423 . 0 0 "[ . 1 . 2]" 2
168 1 16 PRO HB3 1 17 THR H . . 4.170 3.785 3.423 4.176 0.006 18 0 "[ . 1 . 2]" 2
169 1 17 THR H 1 17 THR MG . . 3.680 2.965 2.635 3.326 . 0 0 "[ . 1 . 2]" 2
170 1 47 VAL H 1 47 VAL MG1 . . 3.790 2.502 2.303 2.721 . 0 0 "[ . 1 . 2]" 2
171 1 46 CYS HB2 1 47 VAL H . . 3.830 2.635 2.390 2.821 . 0 0 "[ . 1 . 2]" 2
172 1 6 SER QB 1 7 GLY H . . 5.500 3.210 2.210 3.884 . 0 0 "[ . 1 . 2]" 2
173 1 8 ASP HB3 1 9 MET H . . 4.720 3.941 2.293 4.653 . 0 0 "[ . 1 . 2]" 2
174 1 8 ASP HB2 1 9 MET H . . 4.720 4.100 3.531 4.564 . 0 0 "[ . 1 . 2]" 2
175 1 11 VAL HB 1 12 ASP H . . 4.400 2.469 2.063 4.074 . 0 0 "[ . 1 . 2]" 2
176 1 15 GLU H 1 16 PRO HD2 . . 5.120 4.705 4.368 4.837 . 0 0 "[ . 1 . 2]" 2
177 1 15 GLU H 1 16 PRO HD3 . . 5.120 4.623 3.771 5.068 . 0 0 "[ . 1 . 2]" 2
178 1 17 THR H 1 18 TYR H . . 4.520 4.439 4.224 4.581 0.061 6 0 "[ . 1 . 2]" 2
179 1 19 CYS H 1 22 HIS H . . 5.040 4.802 4.609 5.005 . 0 0 "[ . 1 . 2]" 2
180 1 19 CYS HB2 1 20 LEU H . . 4.640 3.756 3.651 3.915 . 0 0 "[ . 1 . 2]" 2
181 1 19 CYS HB2 1 21 CYS H . . 4.670 4.507 4.286 4.621 . 0 0 "[ . 1 . 2]" 2
182 1 19 CYS HA 1 21 CYS H . . 4.700 4.375 4.153 4.529 . 0 0 "[ . 1 . 2]" 2
183 1 20 LEU H 1 22 HIS H . . 4.680 4.027 3.962 4.254 . 0 0 "[ . 1 . 2]" 2
184 1 17 THR MG 1 23 GLN H . . 4.380 3.072 2.862 3.341 . 0 0 "[ . 1 . 2]" 2
185 1 24 VAL H 1 25 SER H . . 4.890 4.586 4.527 4.621 . 0 0 "[ . 1 . 2]" 2
186 1 26 TYR H 1 27 GLY H . . 5.200 4.243 1.783 4.453 . 0 0 "[ . 1 . 2]" 2
187 1 25 SER H 1 26 TYR H . . 5.000 4.381 4.143 4.563 . 0 0 "[ . 1 . 2]" 2
188 1 26 TYR QD 1 27 GLY H . . 4.300 2.542 2.235 3.102 . 0 0 "[ . 1 . 2]" 2
189 1 26 TYR QD 1 28 GLU H . . 4.940 4.855 4.350 4.945 0.005 5 0 "[ . 1 . 2]" 2
190 1 27 GLY H 1 28 GLU H . . 4.710 4.583 4.229 4.642 . 0 0 "[ . 1 . 2]" 2
191 1 28 GLU HB2 1 29 MET H . . 4.490 4.211 4.118 4.362 . 0 0 "[ . 1 . 2]" 2
192 1 29 MET H 1 30 ILE H . . 4.980 4.436 4.421 4.458 . 0 0 "[ . 1 . 2]" 2
193 1 30 ILE H 1 42 PHE HB2 . . 4.950 4.197 4.049 4.382 . 0 0 "[ . 1 . 2]" 2
194 1 30 ILE H 1 44 PHE QE . . 4.700 3.760 3.554 4.129 . 0 0 "[ . 1 . 2]" 2
195 1 30 ILE H 1 31 GLY H . . 5.360 4.446 4.421 4.484 . 0 0 "[ . 1 . 2]" 2
196 1 30 ILE H 1 44 PHE H . . 5.280 5.144 4.895 5.287 0.007 2 0 "[ . 1 . 2]" 2
197 1 32 CYS H 1 42 PHE QE . . 4.330 3.970 3.487 4.331 0.001 13 0 "[ . 1 . 2]" 2
198 1 32 CYS H 1 42 PHE QD . . 4.910 3.906 3.635 4.191 . 0 0 "[ . 1 . 2]" 2
199 1 33 ASP H 1 58 PHE HA . . 4.290 3.098 2.632 3.517 . 0 0 "[ . 1 . 2]" 2
200 1 33 ASP HB3 1 34 ASN H . . 5.110 3.240 2.551 4.405 . 0 0 "[ . 1 . 2]" 2
201 1 32 CYS HB3 1 34 ASN H . . 4.490 3.768 2.906 4.078 . 0 0 "[ . 1 . 2]" 2
202 1 32 CYS HA 1 34 ASN H . . 4.430 4.089 3.917 4.294 . 0 0 "[ . 1 . 2]" 2
203 1 34 ASN H 1 37 CYS H . . 5.450 5.082 4.503 5.346 . 0 0 "[ . 1 . 2]" 2
204 1 36 ASP H 1 37 CYS HB2 . . 5.370 4.374 4.013 4.580 . 0 0 "[ . 1 . 2]" 2
205 1 36 ASP HB3 1 37 CYS H . . 4.990 3.161 2.585 4.025 . 0 0 "[ . 1 . 2]" 2
206 1 35 PRO HA 1 37 CYS H . . 4.530 4.394 4.115 4.526 . 0 0 "[ . 1 . 2]" 2
207 1 37 CYS H 1 38 SER H . . 4.800 4.507 4.379 4.637 . 0 0 "[ . 1 . 2]" 2
208 1 37 CYS HB3 1 38 SER H . . 4.740 3.993 3.610 4.226 . 0 0 "[ . 1 . 2]" 2
209 1 37 CYS HB2 1 38 SER H . . 4.540 4.381 4.083 4.541 0.001 18 0 "[ . 1 . 2]" 2
210 1 38 SER H 1 40 GLU H . . 4.870 4.338 3.769 4.705 . 0 0 "[ . 1 . 2]" 2
211 1 39 ILE H 1 39 ILE MD . . 4.250 3.393 3.189 3.578 . 0 0 "[ . 1 . 2]" 2
212 1 37 CYS HA 1 39 ILE H . . 4.410 4.034 3.845 4.238 . 0 0 "[ . 1 . 2]" 2
213 1 39 ILE H 1 40 GLU HA . . 5.080 4.979 4.858 5.064 . 0 0 "[ . 1 . 2]" 2
214 1 39 ILE H 1 41 TRP H . . 5.210 5.049 4.899 5.184 . 0 0 "[ . 1 . 2]" 2
215 1 32 CYS HB2 1 40 GLU H . . 5.110 3.985 3.802 4.126 . 0 0 "[ . 1 . 2]" 2
216 1 32 CYS HB3 1 40 GLU H . . 5.500 3.953 3.725 4.191 . 0 0 "[ . 1 . 2]" 2
217 1 40 GLU H 1 42 PHE QE . . 4.510 3.024 2.680 3.436 . 0 0 "[ . 1 . 2]" 2
218 1 32 CYS HB3 1 41 TRP H . . 5.090 4.906 4.726 5.086 . 0 0 "[ . 1 . 2]" 2
219 1 40 GLU H 1 41 TRP H . . 4.440 2.769 2.557 2.979 . 0 0 "[ . 1 . 2]" 2
220 1 41 TRP HE3 1 42 PHE H . . 4.070 3.302 3.139 3.546 . 0 0 "[ . 1 . 2]" 2
221 1 43 HIS H 1 47 VAL MG2 . . 5.060 3.956 3.606 4.309 . 0 0 "[ . 1 . 2]" 2
222 1 42 PHE HB2 1 43 HIS H . . 4.250 3.386 3.162 3.938 . 0 0 "[ . 1 . 2]" 2
223 1 43 HIS H 1 43 HIS HE1 . . 5.430 4.933 4.290 5.239 . 0 0 "[ . 1 . 2]" 2
224 1 43 HIS H 1 47 VAL H . . 5.500 4.100 3.660 4.651 . 0 0 "[ . 1 . 2]" 2
225 1 42 PHE QD 1 43 HIS H . . 4.400 3.919 3.692 4.289 . 0 0 "[ . 1 . 2]" 2
226 1 43 HIS H 1 44 PHE H . . 5.400 4.497 4.372 4.591 . 0 0 "[ . 1 . 2]" 2
227 1 44 PHE H 1 47 VAL MG2 . . 4.510 3.783 3.555 3.986 . 0 0 "[ . 1 . 2]" 2
228 1 44 PHE H 1 44 PHE QE . . 4.370 4.301 4.201 4.377 0.007 1 0 "[ . 1 . 2]" 2
229 1 45 ALA H 1 47 VAL MG2 . . 5.000 4.321 3.934 4.548 . 0 0 "[ . 1 . 2]" 2
230 1 44 PHE QD 1 45 ALA H . . 5.370 4.267 4.221 4.389 . 0 0 "[ . 1 . 2]" 2
231 1 46 CYS H 1 47 VAL MG1 . . 4.830 4.592 4.277 4.822 . 0 0 "[ . 1 . 2]" 2
232 1 43 HIS HA 1 46 CYS H . . 5.170 4.643 4.392 4.806 . 0 0 "[ . 1 . 2]" 2
233 1 43 HIS H 1 46 CYS H . . 4.750 4.438 4.058 4.670 . 0 0 "[ . 1 . 2]" 2
234 1 44 PHE H 1 46 CYS H . . 5.120 4.358 3.991 4.667 . 0 0 "[ . 1 . 2]" 2
235 1 44 PHE HA 1 47 VAL H . . 3.970 3.619 3.258 3.960 . 0 0 "[ . 1 . 2]" 2
236 1 49 LEU H 1 49 LEU MD1 . . 4.290 4.169 3.605 4.318 0.028 8 0 "[ . 1 . 2]" 2
237 1 44 PHE HB3 1 49 LEU H . . 4.630 3.449 3.147 3.713 . 0 0 "[ . 1 . 2]" 2
238 1 49 LEU HB3 1 51 THR H . . 4.340 3.536 2.335 3.775 . 0 0 "[ . 1 . 2]" 2
239 1 49 LEU MD2 1 51 THR H . . 4.380 3.324 2.985 3.821 . 0 0 "[ . 1 . 2]" 2
240 1 49 LEU HB2 1 51 THR H . . 5.180 4.992 3.540 5.194 0.014 7 0 "[ . 1 . 2]" 2
241 1 50 THR HB 1 51 THR H . . 4.610 3.472 2.552 4.455 . 0 0 "[ . 1 . 2]" 2
242 1 50 THR H 1 51 THR H . . 4.190 2.729 2.313 2.911 . 0 0 "[ . 1 . 2]" 2
243 1 54 ARG H 1 55 GLY H . . 4.680 4.533 3.962 4.646 . 0 0 "[ . 1 . 2]" 2
244 1 33 ASP HB2 1 57 TRP H . . 4.470 3.184 2.191 4.435 . 0 0 "[ . 1 . 2]" 2
245 1 57 TRP H 1 58 PHE H . . 4.640 4.198 3.947 4.463 . 0 0 "[ . 1 . 2]" 2
246 1 56 LYS H 1 57 TRP H . . 5.080 4.474 4.204 4.598 . 0 0 "[ . 1 . 2]" 2
247 1 33 ASP H 1 57 TRP H . . 4.890 3.958 3.214 4.694 . 0 0 "[ . 1 . 2]" 2
248 1 57 TRP HB3 1 58 PHE H . . 4.580 4.247 3.903 4.414 . 0 0 "[ . 1 . 2]" 2
249 1 58 PHE H 1 59 CYS H . . 4.940 4.292 4.180 4.396 . 0 0 "[ . 1 . 2]" 2
250 1 59 CYS H 1 62 CYS HB3 . . 5.250 5.251 5.175 5.289 0.039 18 0 "[ . 1 . 2]" 2
251 1 58 PHE QD 1 59 CYS H . . 5.370 4.264 3.979 4.575 . 0 0 "[ . 1 . 2]" 2
252 1 58 PHE HB3 1 63 SER H . . 4.320 3.358 3.076 3.654 . 0 0 "[ . 1 . 2]" 2
253 1 58 PHE HB2 1 63 SER H . . 4.440 4.120 3.867 4.286 . 0 0 "[ . 1 . 2]" 2
254 1 62 CYS HB3 1 63 SER H . . 4.440 3.477 3.144 3.810 . 0 0 "[ . 1 . 2]" 2
255 1 62 CYS H 1 63 SER H . . 3.250 2.293 2.099 2.537 . 0 0 "[ . 1 . 2]" 2
256 1 63 SER HB3 1 64 GLN H . . 4.370 3.124 2.134 4.280 . 0 0 "[ . 1 . 2]" 2
257 1 63 SER HB2 1 64 GLN H . . 4.370 4.084 3.551 4.484 0.114 14 0 "[ . 1 . 2]" 2
258 1 63 SER HA 1 65 GLU H . . 4.940 3.976 3.401 4.801 . 0 0 "[ . 1 . 2]" 2
259 1 65 GLU HB3 1 66 SER H . . 5.020 3.883 2.497 4.620 . 0 0 "[ . 1 . 2]" 2
260 1 65 GLU HB2 1 66 SER H . . 5.020 4.114 2.647 4.616 . 0 0 "[ . 1 . 2]" 2
261 1 20 LEU H 1 39 ILE MG . . 4.930 4.672 4.042 4.927 . 0 0 "[ . 1 . 2]" 2
262 1 20 LEU H 1 61 ARG QD . . 5.130 4.645 4.151 5.136 0.006 19 0 "[ . 1 . 2]" 2
263 1 19 CYS H 1 20 LEU H . . 4.700 4.648 4.642 4.651 . 0 0 "[ . 1 . 2]" 2
264 1 51 THR H 1 52 LYS H . . 5.500 4.386 4.322 4.424 . 0 0 "[ . 1 . 2]" 2
265 1 44 PHE QD 1 52 LYS H . . 5.500 4.526 4.115 4.964 . 0 0 "[ . 1 . 2]" 2
266 1 52 LYS H 1 53 PRO HD2 . . 5.220 4.720 4.655 4.792 . 0 0 "[ . 1 . 2]" 2
267 1 26 TYR H 1 29 MET HG2 . . 4.470 4.286 4.076 4.496 0.026 16 0 "[ . 1 . 2]" 2
268 1 26 TYR H 1 29 MET HG3 . . 4.700 3.835 3.222 4.458 . 0 0 "[ . 1 . 2]" 2
269 1 45 ALA MB 1 49 LEU H . . 5.460 4.844 4.576 5.325 . 0 0 "[ . 1 . 2]" 2
270 1 44 PHE HB2 1 49 LEU H . . 5.330 4.886 4.660 5.092 . 0 0 "[ . 1 . 2]" 2
271 1 44 PHE QD 1 49 LEU H . . 5.500 4.542 4.293 4.958 . 0 0 "[ . 1 . 2]" 2
272 1 45 ALA H 1 49 LEU H . . 5.500 4.432 4.169 4.812 . 0 0 "[ . 1 . 2]" 2
273 1 15 GLU H 1 24 VAL MG1 . . 5.040 3.956 2.333 5.024 . 0 0 "[ . 1 . 2]" 2
274 1 30 ILE H 1 43 HIS HA . . 4.610 4.466 4.191 4.622 0.012 7 0 "[ . 1 . 2]" 2
275 1 29 MET HG2 1 30 ILE H . . 4.710 4.096 3.919 4.332 . 0 0 "[ . 1 . 2]" 2
276 1 33 ASP HB2 1 34 ASN H . . 5.110 3.646 2.673 4.507 . 0 0 "[ . 1 . 2]" 2
277 1 34 ASN HD21 1 36 ASP H . . 5.500 3.886 2.980 4.683 . 0 0 "[ . 1 . 2]" 2
278 1 39 ILE MD 1 40 GLU H . . 5.500 4.062 3.904 4.316 . 0 0 "[ . 1 . 2]" 2
279 1 30 ILE MD 1 43 HIS H . . 5.490 4.295 4.063 4.678 . 0 0 "[ . 1 . 2]" 2
280 1 47 VAL H 1 49 LEU H . . 4.270 4.165 3.828 4.303 0.033 8 0 "[ . 1 . 2]" 2
281 1 45 ALA H 1 47 VAL H . . 5.240 4.426 4.133 4.586 . 0 0 "[ . 1 . 2]" 2
282 1 26 TYR QD 1 27 GLY HA3 . . 4.590 2.424 2.308 2.548 . 0 0 "[ . 1 . 2]" 2
283 1 23 GLN HB3 1 43 HIS HE1 . . 4.140 3.504 2.990 4.139 . 0 0 "[ . 1 . 2]" 2
284 1 23 GLN HG3 1 43 HIS HE1 . . 4.750 4.201 3.973 4.726 . 0 0 "[ . 1 . 2]" 2
285 1 23 GLN HB2 1 43 HIS HE1 . . 3.350 2.260 2.000 2.803 . 0 0 "[ . 1 . 2]" 2
286 1 55 GLY HA3 1 56 LYS H . . 3.500 2.256 2.135 2.706 . 0 0 "[ . 1 . 2]" 2
287 1 55 GLY HA2 1 56 LYS H . . 3.500 3.154 2.427 3.498 . 0 0 "[ . 1 . 2]" 2
288 1 49 LEU HB2 1 49 LEU MD2 . . 3.330 3.179 3.159 3.194 . 0 0 "[ . 1 . 2]" 2
289 1 49 LEU HB3 1 49 LEU MD2 . . 2.750 2.324 2.174 2.401 . 0 0 "[ . 1 . 2]" 2
290 1 18 TYR HB2 1 29 MET ME . . 4.120 2.670 2.465 2.828 . 0 0 "[ . 1 . 2]" 2
291 1 54 ARG HB2 1 54 ARG QD . . 3.320 2.614 2.097 3.398 0.078 16 0 "[ . 1 . 2]" 2
292 1 54 ARG HB3 1 54 ARG QD . . 3.320 2.698 2.207 3.272 . 0 0 "[ . 1 . 2]" 2
293 1 61 ARG HB2 1 61 ARG QD . . 3.710 2.634 2.222 3.525 . 0 0 "[ . 1 . 2]" 2
294 1 61 ARG HB3 1 61 ARG QD . . 3.710 2.768 2.459 3.105 . 0 0 "[ . 1 . 2]" 2
295 1 42 PHE HB3 1 47 VAL MG2 . . 4.100 3.588 3.239 3.959 . 0 0 "[ . 1 . 2]" 2
296 1 42 PHE H 1 42 PHE HB2 . . 3.940 2.870 2.819 2.912 . 0 0 "[ . 1 . 2]" 2
297 1 42 PHE HB2 1 47 VAL MG2 . . 4.270 3.244 2.985 3.767 . 0 0 "[ . 1 . 2]" 2
298 1 30 ILE HB 1 31 GLY H . . 4.410 2.426 2.280 2.583 . 0 0 "[ . 1 . 2]" 2
299 1 30 ILE HB 1 44 PHE QE . . 4.220 4.214 4.139 4.263 0.043 1 0 "[ . 1 . 2]" 2
300 1 30 ILE HB 1 30 ILE HG12 . . 2.580 2.505 2.406 2.618 0.038 19 0 "[ . 1 . 2]" 2
301 1 30 ILE HB 1 30 ILE MD . . 3.320 3.217 3.191 3.230 . 0 0 "[ . 1 . 2]" 2
302 1 30 ILE HB 1 49 LEU MD1 . . 4.340 4.234 3.931 4.346 0.006 8 0 "[ . 1 . 2]" 2
303 1 20 LEU HB3 1 21 CYS H . . 4.070 3.709 3.500 3.935 . 0 0 "[ . 1 . 2]" 2
304 1 20 LEU H 1 20 LEU HB2 . . 4.030 2.565 2.434 2.702 . 0 0 "[ . 1 . 2]" 2
305 1 20 LEU HB2 1 21 CYS H . . 4.420 2.595 2.415 2.834 . 0 0 "[ . 1 . 2]" 2
306 1 20 LEU HB2 1 20 LEU MD1 . . 3.310 2.040 1.999 2.103 . 0 0 "[ . 1 . 2]" 2
307 1 52 LYS QE 1 52 LYS HG2 . . 3.790 2.713 2.098 3.464 . 0 0 "[ . 1 . 2]" 2
308 1 52 LYS QE 1 52 LYS HG3 . . 3.790 2.535 2.047 3.281 . 0 0 "[ . 1 . 2]" 2
309 1 30 ILE MG 1 52 LYS QE . . 4.820 4.152 3.513 4.814 . 0 0 "[ . 1 . 2]" 2
310 1 56 LYS QE 1 56 LYS HG2 . . 3.900 2.773 2.086 3.423 . 0 0 "[ . 1 . 2]" 2
311 1 56 LYS QE 1 56 LYS HG3 . . 3.900 2.668 2.101 3.432 . 0 0 "[ . 1 . 2]" 2
312 1 26 TYR HA 1 26 TYR QD . . 4.380 3.607 3.553 3.695 . 0 0 "[ . 1 . 2]" 2
313 1 26 TYR QD 1 27 GLY HA2 . . 4.590 3.334 3.166 3.678 . 0 0 "[ . 1 . 2]" 2
314 1 24 VAL MG2 1 26 TYR QD . . 3.540 2.826 2.005 3.212 . 0 0 "[ . 1 . 2]" 2
315 1 12 ASP HB3 1 14 ASN H . . 4.540 3.133 2.191 4.285 . 0 0 "[ . 1 . 2]" 2
316 1 58 PHE HB3 1 63 SER HA . . 4.390 4.049 3.796 4.275 . 0 0 "[ . 1 . 2]" 2
317 1 58 PHE HB2 1 59 CYS H . . 4.640 4.305 4.174 4.409 . 0 0 "[ . 1 . 2]" 2
318 1 58 PHE HB2 1 63 SER HA . . 4.480 4.399 4.111 4.504 0.024 4 0 "[ . 1 . 2]" 2
319 1 36 ASP H 1 36 ASP HB2 . . 3.770 2.550 2.202 3.564 . 0 0 "[ . 1 . 2]" 2
320 1 34 ASN HD22 1 36 ASP HB2 . . 4.580 3.148 2.002 4.386 . 0 0 "[ . 1 . 2]" 2
321 1 36 ASP H 1 36 ASP HB3 . . 3.770 2.989 2.400 3.625 . 0 0 "[ . 1 . 2]" 2
322 1 34 ASN HD22 1 36 ASP HB3 . . 4.580 3.039 1.991 4.543 . 0 0 "[ . 1 . 2]" 2
323 1 33 ASP H 1 33 ASP HB2 . . 3.750 2.576 2.240 3.526 . 0 0 "[ . 1 . 2]" 2
324 1 33 ASP HB2 1 58 PHE QD . . 5.080 4.069 2.727 4.900 . 0 0 "[ . 1 . 2]" 2
325 1 33 ASP HB3 1 58 PHE QD . . 5.080 3.765 2.930 4.865 . 0 0 "[ . 1 . 2]" 2
326 1 33 ASP HB3 1 57 TRP H . . 4.470 4.054 2.864 4.482 0.012 12 0 "[ . 1 . 2]" 2
327 1 33 ASP H 1 33 ASP HB3 . . 3.750 2.946 2.267 3.677 . 0 0 "[ . 1 . 2]" 2
328 1 39 ILE HB 1 41 TRP H . . 3.510 3.132 2.784 3.347 . 0 0 "[ . 1 . 2]" 2
329 1 39 ILE HB 1 39 ILE MD . . 3.680 2.288 2.134 2.405 . 0 0 "[ . 1 . 2]" 2
330 1 39 ILE HB 1 42 PHE QE . . 4.070 3.306 2.793 3.701 . 0 0 "[ . 1 . 2]" 2
331 1 14 ASN HB3 1 15 GLU H . . 4.570 3.322 2.169 4.313 . 0 0 "[ . 1 . 2]" 2
332 1 34 ASN HB2 1 58 PHE QD . . 4.130 2.686 2.331 3.042 . 0 0 "[ . 1 . 2]" 2
333 1 34 ASN HB3 1 58 PHE QD . . 4.390 4.283 3.986 4.407 0.017 7 0 "[ . 1 . 2]" 2
334 1 44 PHE HB3 1 49 LEU HB2 . . 4.000 2.932 2.418 3.462 . 0 0 "[ . 1 . 2]" 2
335 1 23 GLN HG2 1 24 VAL H . . 4.640 4.284 3.922 4.481 . 0 0 "[ . 1 . 2]" 2
336 1 23 GLN H 1 23 GLN HG2 . . 4.310 3.409 3.226 3.679 . 0 0 "[ . 1 . 2]" 2
337 1 23 GLN HA 1 23 GLN HG2 . . 4.030 2.476 2.288 2.605 . 0 0 "[ . 1 . 2]" 2
338 1 23 GLN H 1 23 GLN HG3 . . 4.180 3.884 3.133 4.159 . 0 0 "[ . 1 . 2]" 2
339 1 23 GLN HG3 1 24 VAL H . . 4.980 4.736 4.537 4.974 . 0 0 "[ . 1 . 2]" 2
340 1 23 GLN HA 1 23 GLN HG3 . . 4.120 3.613 3.336 3.712 . 0 0 "[ . 1 . 2]" 2
341 1 56 LYS HB2 1 57 TRP H . . 4.240 3.506 2.499 4.199 . 0 0 "[ . 1 . 2]" 2
342 1 18 TYR QD 1 41 TRP HB3 . . 3.800 3.565 3.073 3.811 0.011 20 0 "[ . 1 . 2]" 2
343 1 41 TRP HB3 1 41 TRP HE3 . . 3.630 2.741 2.642 2.796 . 0 0 "[ . 1 . 2]" 2
344 1 41 TRP HB3 1 41 TRP HD1 . . 3.790 3.729 3.700 3.781 . 0 0 "[ . 1 . 2]" 2
345 1 24 VAL H 1 24 VAL HB . . 4.180 3.651 3.610 3.692 . 0 0 "[ . 1 . 2]" 2
346 1 15 GLU QG 1 24 VAL HB . . 3.950 3.405 2.485 3.956 0.006 14 0 "[ . 1 . 2]" 2
347 1 23 GLN HB3 1 24 VAL MG2 . . 4.100 3.466 3.206 3.760 . 0 0 "[ . 1 . 2]" 2
348 1 9 MET ME 1 9 MET HG3 . . 3.750 2.667 2.022 3.238 . 0 0 "[ . 1 . 2]" 2
349 1 9 MET ME 1 9 MET HG2 . . 3.750 2.504 2.005 3.371 . 0 0 "[ . 1 . 2]" 2
350 1 32 CYS HB3 1 37 CYS HB3 . . 4.110 2.940 2.703 3.237 . 0 0 "[ . 1 . 2]" 2
351 1 60 PRO HB2 1 61 ARG H . . 4.660 4.016 3.900 4.120 . 0 0 "[ . 1 . 2]" 2
352 1 16 PRO HB2 1 17 THR H . . 4.170 3.190 2.555 3.785 . 0 0 "[ . 1 . 2]" 2
353 1 29 MET HG2 1 43 HIS HB3 . . 4.740 4.047 3.738 4.427 . 0 0 "[ . 1 . 2]" 2
354 1 60 PRO HB3 1 61 ARG H . . 4.660 4.532 4.468 4.588 . 0 0 "[ . 1 . 2]" 2
355 1 29 MET H 1 29 MET HG3 . . 4.160 3.131 2.912 3.298 . 0 0 "[ . 1 . 2]" 2
356 1 29 MET HG3 1 43 HIS HA . . 4.440 3.844 3.436 4.322 . 0 0 "[ . 1 . 2]" 2
357 1 29 MET HG2 1 43 HIS HA . . 4.080 2.392 2.017 2.789 . 0 0 "[ . 1 . 2]" 2
358 1 29 MET ME 1 29 MET HG2 . . 4.000 2.381 2.253 2.474 . 0 0 "[ . 1 . 2]" 2
359 1 30 ILE MG 1 57 TRP HB2 . . 5.250 5.015 4.730 5.244 . 0 0 "[ . 1 . 2]" 2
360 1 43 HIS HB3 1 46 CYS HB2 . . 4.030 3.646 3.506 3.890 . 0 0 "[ . 1 . 2]" 2
361 1 37 CYS HB2 1 40 GLU HA . . 4.680 4.498 4.225 4.705 0.025 13 0 "[ . 1 . 2]" 2
362 1 34 ASN HB2 1 37 CYS HB2 . . 3.660 3.572 3.401 3.671 0.011 14 0 "[ . 1 . 2]" 2
363 1 32 CYS HB3 1 37 CYS HB2 . . 3.640 3.408 3.022 3.601 . 0 0 "[ . 1 . 2]" 2
364 1 34 ASN HB3 1 37 CYS HB2 . . 2.850 1.993 1.943 2.043 . 0 0 "[ . 1 . 2]" 2
365 1 37 CYS HB3 1 40 GLU H . . 4.200 3.431 3.043 3.743 . 0 0 "[ . 1 . 2]" 2
366 1 34 ASN HB2 1 37 CYS HB3 . . 5.040 5.014 4.759 5.066 0.026 13 0 "[ . 1 . 2]" 2
367 1 37 CYS HB3 1 40 GLU HA . . 3.660 3.394 3.117 3.689 0.029 20 0 "[ . 1 . 2]" 2
368 1 34 ASN HB3 1 37 CYS HB3 . . 3.510 3.423 3.287 3.539 0.029 15 0 "[ . 1 . 2]" 2
369 1 42 PHE HZ 1 59 CYS HB2 . . 4.300 3.239 2.842 3.671 . 0 0 "[ . 1 . 2]" 2
370 1 42 PHE QE 1 59 CYS HB3 . . 4.050 2.624 2.243 2.990 . 0 0 "[ . 1 . 2]" 2
371 1 32 CYS HB2 1 59 CYS HB3 . . 3.650 2.769 2.636 3.175 . 0 0 "[ . 1 . 2]" 2
372 1 43 HIS H 1 46 CYS HB2 . . 4.630 2.794 2.543 3.058 . 0 0 "[ . 1 . 2]" 2
373 1 43 HIS HB2 1 46 CYS HB2 . . 3.850 2.048 1.975 2.402 . 0 0 "[ . 1 . 2]" 2
374 1 20 LEU MD1 1 46 CYS HB2 . . 5.230 4.927 4.653 5.254 0.024 5 0 "[ . 1 . 2]" 2
375 1 46 CYS HB3 1 47 VAL H . . 4.170 3.172 2.955 3.479 . 0 0 "[ . 1 . 2]" 2
376 1 43 HIS HB2 1 46 CYS HB3 . . 4.220 3.666 3.550 3.801 . 0 0 "[ . 1 . 2]" 2
377 1 20 LEU MD1 1 46 CYS HB3 . . 4.220 3.821 3.502 4.193 . 0 0 "[ . 1 . 2]" 2
378 1 46 CYS HB3 1 47 VAL MG1 . . 4.080 3.276 2.981 3.677 . 0 0 "[ . 1 . 2]" 2
379 1 61 ARG H 1 61 ARG HB2 . . 3.910 2.498 2.312 3.334 . 0 0 "[ . 1 . 2]" 2
380 1 61 ARG HB2 1 62 CYS H . . 4.090 3.132 2.912 4.239 0.149 18 0 "[ . 1 . 2]" 2
381 1 34 ASN HD21 1 62 CYS HB3 . . 4.240 3.182 2.589 3.574 . 0 0 "[ . 1 . 2]" 2
382 1 58 PHE QD 1 62 CYS HB3 . . 4.320 4.142 3.413 4.324 0.004 17 0 "[ . 1 . 2]" 2
383 1 58 PHE HB3 1 62 CYS HB3 . . 3.900 3.821 3.622 3.910 0.010 1 0 "[ . 1 . 2]" 2
384 1 58 PHE HB2 1 62 CYS HB2 . . 4.650 4.570 4.438 4.659 0.009 14 0 "[ . 1 . 2]" 2
385 1 58 PHE HB3 1 62 CYS HB2 . . 3.740 2.996 2.866 3.111 . 0 0 "[ . 1 . 2]" 2
386 1 19 CYS HB2 1 43 HIS H . . 4.030 2.940 2.491 3.406 . 0 0 "[ . 1 . 2]" 2
387 1 19 CYS HB2 1 43 HIS HE1 . . 4.600 3.020 2.499 3.676 . 0 0 "[ . 1 . 2]" 2
388 1 19 CYS HB2 1 42 PHE HA . . 3.500 2.358 1.993 2.773 . 0 0 "[ . 1 . 2]" 2
389 1 15 GLU HB3 1 24 VAL MG1 . . 4.400 2.215 1.914 3.143 . 0 0 "[ . 1 . 2]" 2
390 1 15 GLU HB2 1 24 VAL MG1 . . 4.560 2.399 1.867 3.386 . 0 0 "[ . 1 . 2]" 2
391 1 29 MET H 1 41 TRP HZ3 . . 4.430 4.354 4.089 4.432 0.002 18 0 "[ . 1 . 2]" 2
392 1 52 LYS HB2 1 52 LYS QD . . 2.880 2.425 2.164 2.702 . 0 0 "[ . 1 . 2]" 2
393 1 52 LYS HB3 1 52 LYS QD . . 3.110 2.449 2.254 2.780 . 0 0 "[ . 1 . 2]" 2
394 1 56 LYS QD 1 58 PHE QE . . 4.370 2.873 1.853 3.785 . 0 0 "[ . 1 . 2]" 2
395 1 56 LYS HA 1 56 LYS QD . . 4.380 3.995 2.451 4.382 0.002 10 0 "[ . 1 . 2]" 2
396 1 30 ILE HG12 1 30 ILE MG . . 3.590 3.191 3.164 3.201 . 0 0 "[ . 1 . 2]" 2
397 1 30 ILE HG13 1 31 GLY H . . 4.200 4.112 3.854 4.239 0.039 14 0 "[ . 1 . 2]" 2
398 1 30 ILE HG13 1 49 LEU MD1 . . 5.330 3.226 2.941 3.451 . 0 0 "[ . 1 . 2]" 2
399 1 20 LEU MD1 1 60 PRO QG . . 3.720 3.181 2.404 3.587 . 0 0 "[ . 1 . 2]" 2
400 1 20 LEU H 1 20 LEU HG . . 3.450 2.855 2.580 3.113 . 0 0 "[ . 1 . 2]" 2
401 1 20 LEU HG 1 42 PHE QD . . 4.410 4.158 3.883 4.350 . 0 0 "[ . 1 . 2]" 2
402 1 20 LEU HG 1 42 PHE QE . . 3.750 2.984 2.859 3.142 . 0 0 "[ . 1 . 2]" 2
403 1 52 LYS HA 1 53 PRO HG2 . . 4.560 4.186 4.120 4.243 . 0 0 "[ . 1 . 2]" 2
404 1 52 LYS HA 1 53 PRO HG3 . . 4.560 4.322 4.316 4.362 . 0 0 "[ . 1 . 2]" 2
405 1 49 LEU MD2 1 53 PRO HG3 . . 4.230 2.530 2.068 2.978 . 0 0 "[ . 1 . 2]" 2
406 1 30 ILE MG 1 53 PRO HG3 . . 3.990 3.325 2.656 3.733 . 0 0 "[ . 1 . 2]" 2
407 1 54 ARG HA 1 54 ARG HG2 . . 3.560 2.934 2.173 3.643 0.083 20 0 "[ . 1 . 2]" 2
408 1 35 PRO QG 1 36 ASP H . . 4.190 2.615 2.337 3.110 . 0 0 "[ . 1 . 2]" 2
409 1 61 ARG HA 1 61 ARG HG3 . . 3.760 3.091 2.832 3.752 . 0 0 "[ . 1 . 2]" 2
410 1 26 TYR H 1 43 HIS HD2 . . 3.620 3.127 2.577 3.403 . 0 0 "[ . 1 . 2]" 2
411 1 43 HIS HA 1 43 HIS HD2 . . 4.260 2.929 2.722 3.229 . 0 0 "[ . 1 . 2]" 2
412 1 43 HIS HB3 1 43 HIS HD2 . . 3.810 2.993 2.859 3.092 . 0 0 "[ . 1 . 2]" 2
413 1 47 VAL MG2 1 49 LEU MD1 . . 3.270 1.888 1.755 2.207 . 0 0 "[ . 1 . 2]" 2
414 1 49 LEU HB3 1 49 LEU MD1 . . 3.230 2.352 2.219 2.574 . 0 0 "[ . 1 . 2]" 2
415 1 17 THR HB 1 18 TYR H . . 3.570 3.090 2.546 3.409 . 0 0 "[ . 1 . 2]" 2
416 1 20 LEU H 1 20 LEU MD2 . . 4.400 3.910 3.808 4.006 . 0 0 "[ . 1 . 2]" 2
417 1 20 LEU MD2 1 42 PHE QD . . 4.670 4.539 4.335 4.669 . 0 0 "[ . 1 . 2]" 2
418 1 20 LEU MD2 1 42 PHE QE . . 4.420 3.653 3.436 3.864 . 0 0 "[ . 1 . 2]" 2
419 1 20 LEU MD2 1 61 ARG QD . . 3.630 1.974 1.815 2.335 . 0 0 "[ . 1 . 2]" 2
420 1 20 LEU HB3 1 20 LEU MD2 . . 3.240 2.072 1.955 2.225 . 0 0 "[ . 1 . 2]" 2
421 1 20 LEU HB2 1 20 LEU MD2 . . 3.340 2.652 2.538 2.734 . 0 0 "[ . 1 . 2]" 2
422 1 49 LEU MD1 1 57 TRP HZ2 . . 4.290 3.133 2.371 3.583 . 0 0 "[ . 1 . 2]" 2
423 1 44 PHE HA 1 49 LEU MD1 . . 3.950 2.726 2.280 3.373 . 0 0 "[ . 1 . 2]" 2
424 1 49 LEU MD1 1 53 PRO HD3 . . 3.950 2.315 1.986 2.928 . 0 0 "[ . 1 . 2]" 2
425 1 49 LEU MD1 1 53 PRO HD2 . . 4.360 3.142 2.855 3.604 . 0 0 "[ . 1 . 2]" 2
426 1 49 LEU MD1 1 53 PRO HG2 . . 4.020 3.606 3.265 3.886 . 0 0 "[ . 1 . 2]" 2
427 1 49 LEU MD1 1 53 PRO HG3 . . 4.020 2.287 1.975 2.911 . 0 0 "[ . 1 . 2]" 2
428 1 30 ILE MG 1 49 LEU MD1 . . 3.790 2.262 2.048 2.408 . 0 0 "[ . 1 . 2]" 2
429 1 30 ILE MD 1 49 LEU MD1 . . 3.890 2.726 2.006 3.112 . 0 0 "[ . 1 . 2]" 2
430 1 56 LYS HA 1 56 LYS HG3 . . 4.070 3.486 2.802 4.133 0.063 4 0 "[ . 1 . 2]" 2
431 1 30 ILE MG 1 52 LYS HG3 . . 4.670 3.350 2.802 3.720 . 0 0 "[ . 1 . 2]" 2
432 1 20 LEU MD1 1 39 ILE MG . . 4.910 4.398 3.796 4.736 . 0 0 "[ . 1 . 2]" 2
433 1 20 LEU MD1 1 42 PHE QE . . 3.710 1.995 1.880 2.194 . 0 0 "[ . 1 . 2]" 2
434 1 20 LEU HA 1 20 LEU MD1 . . 3.600 3.442 3.311 3.535 . 0 0 "[ . 1 . 2]" 2
435 1 20 LEU MD1 1 61 ARG QD . . 4.180 2.644 1.949 3.371 . 0 0 "[ . 1 . 2]" 2
436 1 20 LEU MD1 1 39 ILE MD . . 4.020 3.744 3.396 4.025 0.005 4 0 "[ . 1 . 2]" 2
437 1 20 LEU MD1 1 47 VAL MG1 . . 4.100 3.519 3.208 3.937 . 0 0 "[ . 1 . 2]" 2
438 1 47 VAL MG1 1 60 PRO HD3 . . 3.880 2.733 2.373 3.135 . 0 0 "[ . 1 . 2]" 2
439 1 42 PHE HB3 1 47 VAL MG1 . . 3.360 2.141 1.939 2.525 . 0 0 "[ . 1 . 2]" 2
440 1 47 VAL MG1 1 59 CYS HB2 . . 4.360 3.933 3.406 4.154 . 0 0 "[ . 1 . 2]" 2
441 1 30 ILE MD 1 47 VAL MG1 . . 4.660 3.027 2.449 3.521 . 0 0 "[ . 1 . 2]" 2
442 1 47 VAL HA 1 47 VAL MG1 . . 3.380 2.291 2.167 2.419 . 0 0 "[ . 1 . 2]" 2
443 1 46 CYS HB2 1 47 VAL MG1 . . 3.790 3.386 3.185 3.640 . 0 0 "[ . 1 . 2]" 2
444 1 42 PHE HB2 1 47 VAL MG1 . . 3.310 2.391 2.090 2.731 . 0 0 "[ . 1 . 2]" 2
445 1 47 VAL MG1 1 60 PRO QG . . 3.730 2.489 1.971 2.923 . 0 0 "[ . 1 . 2]" 2
446 1 49 LEU MD2 1 57 TRP HE1 . . 3.880 2.850 2.122 3.626 . 0 0 "[ . 1 . 2]" 2
447 1 49 LEU HA 1 49 LEU MD2 . . 3.290 2.048 1.926 2.299 . 0 0 "[ . 1 . 2]" 2
448 1 49 LEU MD2 1 52 LYS HA . . 4.540 4.120 3.767 4.549 0.009 16 0 "[ . 1 . 2]" 2
449 1 49 LEU MD2 1 53 PRO HD2 . . 4.680 3.783 3.535 4.068 . 0 0 "[ . 1 . 2]" 2
450 1 49 LEU MD2 1 53 PRO HG2 . . 4.230 3.972 3.615 4.246 0.016 15 0 "[ . 1 . 2]" 2
451 1 47 VAL MG2 1 49 LEU MD2 . . 4.580 3.473 3.305 3.641 . 0 0 "[ . 1 . 2]" 2
452 1 30 ILE MD 1 49 LEU MD2 . . 5.330 4.901 4.263 5.245 . 0 0 "[ . 1 . 2]" 2
453 1 59 CYS HA 1 60 PRO HD2 . . 3.520 2.413 2.402 2.431 . 0 0 "[ . 1 . 2]" 2
454 1 59 CYS HA 1 60 PRO QG . . 4.120 4.009 4.002 4.021 . 0 0 "[ . 1 . 2]" 2
455 1 47 VAL MG1 1 59 CYS HA . . 4.510 3.788 3.493 4.169 . 0 0 "[ . 1 . 2]" 2
456 1 18 TYR HA 1 18 TYR QD . . 3.450 2.994 2.244 3.232 . 0 0 "[ . 1 . 2]" 2
457 1 20 LEU HA 1 22 HIS H . . 4.910 3.450 3.345 3.537 . 0 0 "[ . 1 . 2]" 2
458 1 20 LEU HA 1 20 LEU MD2 . . 4.000 3.554 3.486 3.641 . 0 0 "[ . 1 . 2]" 2
459 1 20 LEU HA 1 20 LEU HG . . 4.140 2.526 2.416 2.602 . 0 0 "[ . 1 . 2]" 2
460 1 56 LYS HA 1 56 LYS HG2 . . 4.070 3.009 2.295 3.791 . 0 0 "[ . 1 . 2]" 2
461 1 28 GLU HA 1 29 MET H . . 2.860 2.177 2.153 2.210 . 0 0 "[ . 1 . 2]" 2
462 1 28 GLU HA 1 28 GLU HG2 . . 4.010 3.090 2.326 3.717 . 0 0 "[ . 1 . 2]" 2
463 1 28 GLU HA 1 28 GLU HG3 . . 4.010 3.026 2.394 3.774 . 0 0 "[ . 1 . 2]" 2
464 1 54 ARG HA 1 54 ARG HG3 . . 3.560 2.880 2.167 3.646 0.086 20 0 "[ . 1 . 2]" 2
465 1 41 TRP HA 1 42 PHE QD . . 4.090 3.183 2.963 3.323 . 0 0 "[ . 1 . 2]" 2
466 1 41 TRP HA 1 41 TRP HE3 . . 3.780 2.811 2.673 3.124 . 0 0 "[ . 1 . 2]" 2
467 1 45 ALA HA 1 48 GLY H . . 4.550 3.883 3.427 4.416 . 0 0 "[ . 1 . 2]" 2
468 1 52 LYS HA 1 52 LYS HG2 . . 4.130 2.920 2.490 3.205 . 0 0 "[ . 1 . 2]" 2
469 1 52 LYS HA 1 52 LYS HG3 . . 4.130 2.423 2.226 2.724 . 0 0 "[ . 1 . 2]" 2
470 1 52 LYS HA 1 53 PRO HD3 . . 3.000 2.322 2.272 2.459 . 0 0 "[ . 1 . 2]" 2
471 1 52 LYS HA 1 53 PRO HD2 . . 3.170 1.991 1.915 2.063 . 0 0 "[ . 1 . 2]" 2
472 1 52 LYS HA 1 52 LYS QD . . 4.540 3.981 3.733 4.138 . 0 0 "[ . 1 . 2]" 2
473 1 49 LEU MD1 1 52 LYS HA . . 5.460 3.800 3.518 4.579 . 0 0 "[ . 1 . 2]" 2
474 1 29 MET HA 1 43 HIS HA . . 3.760 2.731 2.476 3.051 . 0 0 "[ . 1 . 2]" 2
475 1 29 MET HA 1 29 MET HG3 . . 3.820 3.203 3.071 3.313 . 0 0 "[ . 1 . 2]" 2
476 1 29 MET HA 1 29 MET HG2 . . 3.740 2.496 2.395 2.634 . 0 0 "[ . 1 . 2]" 2
477 1 29 MET HA 1 30 ILE MD . . 4.400 3.139 2.870 3.391 . 0 0 "[ . 1 . 2]" 2
478 1 35 PRO HD2 1 36 ASP H . . 4.220 2.695 2.646 2.912 . 0 0 "[ . 1 . 2]" 2
479 1 34 ASN HA 1 58 PHE QE . . 4.110 3.564 3.211 4.045 . 0 0 "[ . 1 . 2]" 2
480 1 34 ASN HA 1 35 PRO HD2 . . 3.490 1.999 1.969 2.063 . 0 0 "[ . 1 . 2]" 2
481 1 34 ASN HA 1 35 PRO HD3 . . 3.490 2.308 2.270 2.334 . 0 0 "[ . 1 . 2]" 2
482 1 12 ASP HA 1 13 PRO QD . . 2.860 2.096 2.008 2.172 . 0 0 "[ . 1 . 2]" 2
483 1 12 ASP HB2 1 13 PRO QD . . 4.600 3.072 1.987 3.787 . 0 0 "[ . 1 . 2]" 2
484 1 15 GLU HA 1 16 PRO HD3 . . 3.120 2.356 2.251 2.610 . 0 0 "[ . 1 . 2]" 2
485 1 15 GLU QG 1 16 PRO HD3 . . 4.540 4.164 3.310 4.562 0.022 19 0 "[ . 1 . 2]" 2
486 1 15 GLU HA 1 16 PRO HD2 . . 3.120 2.154 1.914 2.505 . 0 0 "[ . 1 . 2]" 2
487 1 15 GLU QG 1 16 PRO HD2 . . 4.540 3.242 2.390 3.766 . 0 0 "[ . 1 . 2]" 2
488 1 30 ILE MG 1 53 PRO HD3 . . 3.820 3.435 2.914 3.754 . 0 0 "[ . 1 . 2]" 2
489 1 49 LEU MD2 1 53 PRO HD3 . . 4.080 2.339 2.152 2.635 . 0 0 "[ . 1 . 2]" 2
490 1 52 LYS HG2 1 53 PRO HD2 . . 3.990 2.812 2.070 3.284 . 0 0 "[ . 1 . 2]" 2
491 1 52 LYS HG3 1 53 PRO HD2 . . 3.990 2.694 2.272 3.272 . 0 0 "[ . 1 . 2]" 2
492 1 57 TRP HH2 1 60 PRO HD3 . . 4.510 3.349 2.949 3.740 . 0 0 "[ . 1 . 2]" 2
493 1 59 CYS HB2 1 60 PRO HD3 . . 3.360 3.362 3.327 3.384 0.024 3 0 "[ . 1 . 2]" 2
494 1 59 CYS HB2 1 60 PRO HD2 . . 3.270 1.943 1.906 1.968 . 0 0 "[ . 1 . 2]" 2
495 1 59 CYS HB3 1 60 PRO HD2 . . 3.610 3.488 3.401 3.521 . 0 0 "[ . 1 . 2]" 2
496 1 20 LEU MD1 1 60 PRO HD2 . . 4.590 4.139 3.723 4.454 . 0 0 "[ . 1 . 2]" 2
497 1 47 VAL MG1 1 60 PRO HD2 . . 4.090 2.843 2.362 3.090 . 0 0 "[ . 1 . 2]" 2
498 1 67 GLY HA2 1 68 PRO QD . . 3.300 2.354 1.856 3.177 . 0 0 "[ . 1 . 2]" 2
499 1 67 GLY HA3 1 68 PRO QD . . 3.300 2.469 1.852 3.328 0.028 3 0 "[ . 1 . 2]" 2
500 1 11 VAL HA 1 12 ASP HB3 . . 5.500 5.304 4.808 5.570 0.070 16 0 "[ . 1 . 2]" 2
501 1 11 VAL HA 1 12 ASP HB2 . . 5.500 4.701 3.990 5.513 0.013 9 0 "[ . 1 . 2]" 2
502 1 11 VAL HA 1 12 ASP HA . . 5.500 4.554 4.420 4.633 . 0 0 "[ . 1 . 2]" 2
503 1 10 PRO HA 1 11 VAL MG1 . . 4.860 3.938 3.418 4.786 . 0 0 "[ . 1 . 2]" 2
504 1 10 PRO HA 1 11 VAL MG2 . . 4.860 4.118 3.603 5.056 0.196 15 0 "[ . 1 . 2]" 2
505 1 12 ASP HB3 1 13 PRO QD . . 4.600 2.350 1.980 2.989 . 0 0 "[ . 1 . 2]" 2
506 1 13 PRO QG 1 14 ASN HB3 . . 5.500 5.116 3.580 5.613 0.113 15 0 "[ . 1 . 2]" 2
507 1 14 ASN HB3 1 15 GLU HB2 . . 5.500 4.991 3.620 5.504 0.004 14 0 "[ . 1 . 2]" 2
508 1 13 PRO QG 1 14 ASN HB2 . . 5.500 4.794 3.961 5.484 . 0 0 "[ . 1 . 2]" 2
509 1 14 ASN HB2 1 15 GLU HB2 . . 5.500 4.500 3.531 5.428 . 0 0 "[ . 1 . 2]" 2
510 1 16 PRO HA 1 17 THR MG . . 4.410 3.885 3.603 4.116 . 0 0 "[ . 1 . 2]" 2
511 1 16 PRO HB2 1 18 TYR QE . . 4.390 2.962 2.671 3.132 . 0 0 "[ . 1 . 2]" 2
512 1 17 THR HA 1 17 THR MG . . 3.040 2.295 2.233 2.412 . 0 0 "[ . 1 . 2]" 2
513 1 17 THR HA 1 18 TYR HB2 . . 4.830 4.623 4.549 4.728 . 0 0 "[ . 1 . 2]" 2
514 1 17 THR HA 1 18 TYR HA . . 4.860 4.398 4.385 4.444 . 0 0 "[ . 1 . 2]" 2
515 1 17 THR HA 1 23 GLN HA . . 5.290 4.661 4.273 4.926 . 0 0 "[ . 1 . 2]" 2
516 1 17 THR HA 1 19 CYS H . . 5.420 4.615 4.353 4.862 . 0 0 "[ . 1 . 2]" 2
517 1 17 THR HA 1 18 TYR H . . 3.010 2.190 2.143 2.341 . 0 0 "[ . 1 . 2]" 2
518 1 17 THR HA 1 25 SER H . . 5.500 4.805 4.503 5.438 . 0 0 "[ . 1 . 2]" 2
519 1 17 THR HB 1 22 HIS HA . . 3.780 2.074 1.978 2.353 . 0 0 "[ . 1 . 2]" 2
520 1 17 THR HB 1 18 TYR HA . . 5.020 4.479 4.350 4.650 . 0 0 "[ . 1 . 2]" 2
521 1 17 THR HB 1 23 GLN HA . . 5.430 4.434 3.910 4.721 . 0 0 "[ . 1 . 2]" 2
522 1 17 THR HB 1 22 HIS H . . 4.710 4.113 3.829 4.313 . 0 0 "[ . 1 . 2]" 2
523 1 17 THR HB 1 23 GLN H . . 4.040 3.278 2.868 3.494 . 0 0 "[ . 1 . 2]" 2
524 1 17 THR MG 1 23 GLN HA . . 3.780 2.511 2.346 2.684 . 0 0 "[ . 1 . 2]" 2
525 1 18 TYR HA 1 39 ILE MG . . 4.430 2.542 2.041 3.080 . 0 0 "[ . 1 . 2]" 2
526 1 18 TYR HA 1 39 ILE HA . . 5.500 4.145 3.561 4.495 . 0 0 "[ . 1 . 2]" 2
527 1 18 TYR HB3 1 19 CYS HB2 . . 5.160 5.107 4.674 5.197 0.037 7 0 "[ . 1 . 2]" 2
528 1 18 TYR HB3 1 41 TRP HB2 . . 4.100 2.232 2.004 2.661 . 0 0 "[ . 1 . 2]" 2
529 1 18 TYR HB3 1 41 TRP H . . 5.090 3.926 3.573 4.126 . 0 0 "[ . 1 . 2]" 2
530 1 18 TYR HB2 1 39 ILE MG . . 5.070 3.216 3.046 3.641 . 0 0 "[ . 1 . 2]" 2
531 1 18 TYR HB2 1 19 CYS HB2 . . 4.210 4.095 3.847 4.225 0.015 3 0 "[ . 1 . 2]" 2
532 1 18 TYR HB2 1 19 CYS HA . . 4.450 4.116 4.028 4.231 . 0 0 "[ . 1 . 2]" 2
533 1 18 TYR QD 1 41 TRP HB2 . . 3.660 2.669 1.997 3.500 . 0 0 "[ . 1 . 2]" 2
534 1 18 TYR QD 1 25 SER QB . . 4.170 4.039 3.461 4.176 0.006 20 0 "[ . 1 . 2]" 2
535 1 17 THR HA 1 18 TYR QD . . 4.470 3.293 2.583 4.419 . 0 0 "[ . 1 . 2]" 2
536 1 18 TYR QD 1 39 ILE HA . . 4.650 3.417 3.034 3.977 . 0 0 "[ . 1 . 2]" 2
537 1 18 TYR QD 1 24 VAL HA . . 4.700 4.204 3.672 4.721 0.021 6 0 "[ . 1 . 2]" 2
538 1 18 TYR H 1 18 TYR QD . . 4.000 2.524 2.011 3.581 . 0 0 "[ . 1 . 2]" 2
539 1 19 CYS HA 1 20 LEU HG . . 4.860 4.440 4.256 4.721 . 0 0 "[ . 1 . 2]" 2
540 1 18 TYR HB3 1 19 CYS HA . . 4.420 4.309 4.237 4.394 . 0 0 "[ . 1 . 2]" 2
541 1 19 CYS HA 1 42 PHE HB3 . . 4.500 4.033 3.701 4.273 . 0 0 "[ . 1 . 2]" 2
542 1 19 CYS HA 1 42 PHE HA . . 3.700 2.925 2.789 3.083 . 0 0 "[ . 1 . 2]" 2
543 1 18 TYR HA 1 19 CYS HA . . 4.880 4.835 4.740 4.870 . 0 0 "[ . 1 . 2]" 2
544 1 19 CYS HA 1 42 PHE QD . . 3.810 2.940 2.584 3.240 . 0 0 "[ . 1 . 2]" 2
545 1 19 CYS HA 1 43 HIS H . . 4.860 4.416 4.189 4.696 . 0 0 "[ . 1 . 2]" 2
546 1 19 CYS HB3 1 42 PHE HA . . 4.560 4.064 3.697 4.442 . 0 0 "[ . 1 . 2]" 2
547 1 19 CYS HB3 1 43 HIS H . . 5.440 4.386 3.678 4.851 . 0 0 "[ . 1 . 2]" 2
548 1 19 CYS HB2 1 39 ILE MG . . 5.270 4.687 4.350 4.921 . 0 0 "[ . 1 . 2]" 2
549 1 19 CYS HB2 1 42 PHE QD . . 4.360 4.056 3.605 4.359 . 0 0 "[ . 1 . 2]" 2
550 1 20 LEU HA 1 39 ILE MG . . 5.500 5.235 4.609 5.519 0.019 19 0 "[ . 1 . 2]" 2
551 1 20 LEU HB2 1 42 PHE QE . . 5.210 5.031 4.815 5.216 0.006 12 0 "[ . 1 . 2]" 2
552 1 20 LEU HB3 1 42 PHE QE . . 5.500 5.439 5.338 5.517 0.017 10 0 "[ . 1 . 2]" 2
553 1 20 LEU HB3 1 61 ARG QD . . 4.990 4.405 4.026 4.886 . 0 0 "[ . 1 . 2]" 2
554 1 20 LEU HB2 1 46 CYS HB3 . . 5.500 5.089 4.718 5.450 . 0 0 "[ . 1 . 2]" 2
555 1 20 LEU HB2 1 61 ARG QD . . 5.500 4.764 4.434 5.255 . 0 0 "[ . 1 . 2]" 2
556 1 20 LEU HG 1 39 ILE MG . . 5.500 5.079 4.494 5.385 . 0 0 "[ . 1 . 2]" 2
557 1 20 LEU HG 1 61 ARG QD . . 4.450 2.381 1.983 2.877 . 0 0 "[ . 1 . 2]" 2
558 1 17 THR MG 1 22 HIS HA . . 4.880 3.008 2.811 3.294 . 0 0 "[ . 1 . 2]" 2
559 1 18 TYR H 1 22 HIS HA . . 4.930 4.240 3.930 4.586 . 0 0 "[ . 1 . 2]" 2
560 1 17 THR MG 1 22 HIS HB3 . . 5.500 2.956 2.564 3.251 . 0 0 "[ . 1 . 2]" 2
561 1 22 HIS HB3 1 23 GLN H . . 5.500 4.385 4.342 4.418 . 0 0 "[ . 1 . 2]" 2
562 1 17 THR MG 1 23 GLN HG2 . . 4.500 4.368 4.264 4.476 . 0 0 "[ . 1 . 2]" 2
563 1 17 THR MG 1 23 GLN HG3 . . 5.500 5.420 5.041 5.531 0.031 10 0 "[ . 1 . 2]" 2
564 1 24 VAL HA 1 24 VAL MG1 . . 3.610 2.429 2.316 2.540 . 0 0 "[ . 1 . 2]" 2
565 1 17 THR HA 1 24 VAL HA . . 3.970 3.071 2.584 3.227 . 0 0 "[ . 1 . 2]" 2
566 1 24 VAL HB 1 25 SER HA . . 4.970 4.870 4.800 4.966 . 0 0 "[ . 1 . 2]" 2
567 1 17 THR HA 1 24 VAL HB . . 5.460 5.297 4.502 5.484 0.024 19 0 "[ . 1 . 2]" 2
568 1 15 GLU QG 1 24 VAL MG1 . . 3.970 2.957 2.067 3.802 . 0 0 "[ . 1 . 2]" 2
569 1 24 VAL H 1 24 VAL MG1 . . 3.130 2.213 1.876 2.454 . 0 0 "[ . 1 . 2]" 2
570 1 24 VAL MG1 1 25 SER H . . 4.190 3.803 3.739 3.892 . 0 0 "[ . 1 . 2]" 2
571 1 15 GLU QG 1 24 VAL MG2 . . 4.330 3.823 3.150 4.336 0.006 16 0 "[ . 1 . 2]" 2
572 1 15 GLU HB3 1 24 VAL MG2 . . 4.730 4.042 3.492 4.711 . 0 0 "[ . 1 . 2]" 2
573 1 24 VAL MG2 1 26 TYR HB2 . . 4.630 4.143 3.803 4.631 0.001 16 0 "[ . 1 . 2]" 2
574 1 23 GLN HA 1 24 VAL MG2 . . 4.690 4.290 4.131 4.484 . 0 0 "[ . 1 . 2]" 2
575 1 24 VAL MG2 1 26 TYR QE . . 4.940 4.473 3.702 4.941 0.001 3 0 "[ . 1 . 2]" 2
576 1 25 SER HA 1 29 MET ME . . 3.650 3.364 2.769 3.645 . 0 0 "[ . 1 . 2]" 2
577 1 18 TYR QE 1 25 SER HA . . 4.750 4.723 4.573 4.768 0.018 12 0 "[ . 1 . 2]" 2
578 1 25 SER HA 1 43 HIS HD2 . . 5.300 4.444 3.820 4.907 . 0 0 "[ . 1 . 2]" 2
579 1 18 TYR QD 1 25 SER HA . . 4.500 4.151 3.834 4.298 . 0 0 "[ . 1 . 2]" 2
580 1 24 VAL MG2 1 25 SER QB . . 4.080 4.053 3.951 4.087 0.007 7 0 "[ . 1 . 2]" 2
581 1 24 VAL HB 1 25 SER QB . . 4.200 4.035 3.926 4.225 0.025 20 0 "[ . 1 . 2]" 2
582 1 25 SER H 1 25 SER QB . . 3.260 2.237 2.160 2.302 . 0 0 "[ . 1 . 2]" 2
583 1 34 ASN HD21 1 37 CYS HA . . 4.320 3.738 3.265 4.251 . 0 0 "[ . 1 . 2]" 2
584 1 24 VAL MG2 1 26 TYR HB3 . . 4.630 2.782 2.343 3.167 . 0 0 "[ . 1 . 2]" 2
585 1 26 TYR H 1 26 TYR QD . . 5.200 3.394 2.982 3.687 . 0 0 "[ . 1 . 2]" 2
586 1 28 GLU HA 1 44 PHE QE . . 5.100 4.522 4.309 4.787 . 0 0 "[ . 1 . 2]" 2
587 1 28 GLU HB2 1 44 PHE QE . . 4.350 4.173 3.974 4.372 0.022 19 0 "[ . 1 . 2]" 2
588 1 29 MET HA 1 30 ILE HB . . 5.500 5.596 5.570 5.631 0.131 19 0 "[ . 1 . 2]" 2
589 1 28 GLU HA 1 29 MET HA . . 4.780 4.413 4.401 4.425 . 0 0 "[ . 1 . 2]" 2
590 1 29 MET HA 1 44 PHE HA . . 5.220 4.824 4.603 5.032 . 0 0 "[ . 1 . 2]" 2
591 1 29 MET HA 1 30 ILE HA . . 4.480 4.466 4.414 4.504 0.024 3 0 "[ . 1 . 2]" 2
592 1 29 MET HA 1 44 PHE QE . . 4.550 3.142 2.920 3.476 . 0 0 "[ . 1 . 2]" 2
593 1 29 MET HA 1 42 PHE H . . 5.080 4.079 3.879 4.360 . 0 0 "[ . 1 . 2]" 2
594 1 28 GLU HA 1 29 MET HG3 . . 4.490 3.813 3.602 4.046 . 0 0 "[ . 1 . 2]" 2
595 1 28 GLU HA 1 29 MET HG2 . . 5.340 4.908 4.648 5.104 . 0 0 "[ . 1 . 2]" 2
596 1 29 MET HG2 1 43 HIS HB2 . . 5.500 4.873 4.561 5.269 . 0 0 "[ . 1 . 2]" 2
597 1 29 MET HG3 1 30 ILE H . . 5.160 4.900 4.803 5.059 . 0 0 "[ . 1 . 2]" 2
598 1 30 ILE HG13 1 57 TRP HZ3 . . 5.030 3.082 2.757 3.347 . 0 0 "[ . 1 . 2]" 2
599 1 30 ILE HG13 1 57 TRP HZ2 . . 4.720 4.183 3.908 4.381 . 0 0 "[ . 1 . 2]" 2
600 1 30 ILE H 1 30 ILE HG13 . . 5.290 4.089 3.953 4.196 . 0 0 "[ . 1 . 2]" 2
601 1 30 ILE HG12 1 44 PHE QE . . 5.500 5.469 5.276 5.534 0.034 14 0 "[ . 1 . 2]" 2
602 1 30 ILE HG12 1 57 TRP HZ2 . . 5.500 5.265 4.820 5.516 0.016 10 0 "[ . 1 . 2]" 2
603 1 30 ILE H 1 30 ILE HG12 . . 5.250 3.362 2.949 3.600 . 0 0 "[ . 1 . 2]" 2
604 1 30 ILE MD 1 30 ILE MG . . 3.120 1.913 1.865 1.979 . 0 0 "[ . 1 . 2]" 2
605 1 30 ILE HG13 1 30 ILE MG . . 3.400 2.412 2.312 2.586 . 0 0 "[ . 1 . 2]" 2
606 1 30 ILE MG 1 53 PRO HG2 . . 3.990 3.598 3.101 3.897 . 0 0 "[ . 1 . 2]" 2
607 1 30 ILE MG 1 57 TRP HB3 . . 5.250 4.657 4.449 4.839 . 0 0 "[ . 1 . 2]" 2
608 1 30 ILE MG 1 53 PRO HD2 . . 3.170 2.893 2.508 3.125 . 0 0 "[ . 1 . 2]" 2
609 1 30 ILE MG 1 52 LYS HA . . 3.950 3.791 3.412 3.971 0.021 6 0 "[ . 1 . 2]" 2
610 1 30 ILE MG 1 44 PHE QE . . 3.700 1.777 1.760 1.832 . 0 0 "[ . 1 . 2]" 2
611 1 30 ILE MG 1 57 TRP HE3 . . 4.700 4.640 4.480 4.726 0.026 12 0 "[ . 1 . 2]" 2
612 1 30 ILE MG 1 31 GLY H . . 3.980 3.871 3.783 3.944 . 0 0 "[ . 1 . 2]" 2
613 1 30 ILE MD 1 42 PHE HB2 . . 3.240 2.059 1.945 2.231 . 0 0 "[ . 1 . 2]" 2
614 1 30 ILE MD 1 42 PHE HB3 . . 3.710 3.516 3.421 3.683 . 0 0 "[ . 1 . 2]" 2
615 1 30 ILE MD 1 57 TRP HZ3 . . 3.970 2.785 2.495 3.201 . 0 0 "[ . 1 . 2]" 2
616 1 30 ILE MD 1 44 PHE QD . . 3.890 3.582 3.353 3.762 . 0 0 "[ . 1 . 2]" 2
617 1 30 ILE MD 1 44 PHE QE . . 4.080 3.616 3.418 3.741 . 0 0 "[ . 1 . 2]" 2
618 1 30 ILE MD 1 57 TRP HZ2 . . 4.320 3.365 3.156 3.537 . 0 0 "[ . 1 . 2]" 2
619 1 30 ILE MD 1 42 PHE QD . . 3.910 2.636 2.318 3.038 . 0 0 "[ . 1 . 2]" 2
620 1 30 ILE MD 1 31 GLY H . . 4.520 4.199 3.968 4.525 0.005 19 0 "[ . 1 . 2]" 2
621 1 30 ILE H 1 30 ILE MD . . 3.210 1.839 1.785 1.874 . 0 0 "[ . 1 . 2]" 2
622 1 31 GLY HA3 1 41 TRP HA . . 4.990 4.802 4.604 5.010 0.020 13 0 "[ . 1 . 2]" 2
623 1 31 GLY HA3 1 41 TRP HZ3 . . 5.440 5.294 5.054 5.451 0.011 8 0 "[ . 1 . 2]" 2
624 1 31 GLY HA3 1 41 TRP HE3 . . 5.500 5.395 5.199 5.487 . 0 0 "[ . 1 . 2]" 2
625 1 32 CYS HB2 1 42 PHE QD . . 4.560 3.860 3.670 4.090 . 0 0 "[ . 1 . 2]" 2
626 1 32 CYS HB2 1 41 TRP H . . 4.990 4.184 4.072 4.368 . 0 0 "[ . 1 . 2]" 2
627 1 32 CYS HB2 1 33 ASP H . . 4.930 4.128 3.945 4.291 . 0 0 "[ . 1 . 2]" 2
628 1 32 CYS HB3 1 33 ASP H . . 5.170 3.844 3.529 4.120 . 0 0 "[ . 1 . 2]" 2
629 1 32 CYS HB2 1 59 CYS HB2 . . 4.870 4.419 4.262 4.825 . 0 0 "[ . 1 . 2]" 2
630 1 32 CYS HA 1 57 TRP HZ3 . . 4.490 2.924 2.537 3.355 . 0 0 "[ . 1 . 2]" 2
631 1 34 ASN HA 1 35 PRO QG . . 4.380 3.788 3.776 3.814 . 0 0 "[ . 1 . 2]" 2
632 1 34 ASN HA 1 36 ASP H . . 4.830 3.658 3.515 3.779 . 0 0 "[ . 1 . 2]" 2
633 1 36 ASP HB2 1 37 CYS H . . 4.990 3.431 2.602 4.230 . 0 0 "[ . 1 . 2]" 2
634 1 37 CYS HB3 1 40 GLU HG3 . . 4.910 3.689 3.348 4.543 . 0 0 "[ . 1 . 2]" 2
635 1 34 ASN H 1 37 CYS HB3 . . 5.090 4.901 4.068 5.112 0.022 9 0 "[ . 1 . 2]" 2
636 1 37 CYS HB3 1 39 ILE H . . 4.500 4.480 4.421 4.527 0.027 9 0 "[ . 1 . 2]" 2
637 1 34 ASN H 1 37 CYS HB2 . . 4.520 4.158 3.524 4.394 . 0 0 "[ . 1 . 2]" 2
638 1 34 ASN HD21 1 37 CYS HB2 . . 4.120 2.966 2.445 3.268 . 0 0 "[ . 1 . 2]" 2
639 1 37 CYS HB3 1 40 GLU HG2 . . 4.910 3.383 1.988 4.904 . 0 0 "[ . 1 . 2]" 2
640 1 36 ASP H 1 37 CYS HB3 . . 5.040 5.018 4.795 5.097 0.057 9 0 "[ . 1 . 2]" 2
641 1 39 ILE HA 1 39 ILE MG . . 3.310 2.385 2.262 2.461 . 0 0 "[ . 1 . 2]" 2
642 1 39 ILE HA 1 39 ILE HG13 . . 3.460 2.852 2.686 2.997 . 0 0 "[ . 1 . 2]" 2
643 1 39 ILE HA 1 39 ILE HG12 . . 3.460 2.675 2.557 2.793 . 0 0 "[ . 1 . 2]" 2
644 1 39 ILE HA 1 41 TRP H . . 4.940 4.354 4.049 4.618 . 0 0 "[ . 1 . 2]" 2
645 1 18 TYR HB3 1 39 ILE MG . . 4.410 1.938 1.825 2.389 . 0 0 "[ . 1 . 2]" 2
646 1 19 CYS HA 1 39 ILE MG . . 3.520 3.134 2.652 3.399 . 0 0 "[ . 1 . 2]" 2
647 1 18 TYR QD 1 39 ILE MG . . 3.240 2.861 2.432 3.243 0.003 6 0 "[ . 1 . 2]" 2
648 1 39 ILE MG 1 42 PHE QE . . 3.680 3.139 2.822 3.557 . 0 0 "[ . 1 . 2]" 2
649 1 39 ILE MG 1 42 PHE QD . . 4.130 3.627 3.340 3.945 . 0 0 "[ . 1 . 2]" 2
650 1 39 ILE MG 1 41 TRP H . . 3.300 1.964 1.825 2.273 . 0 0 "[ . 1 . 2]" 2
651 1 39 ILE H 1 39 ILE MG . . 4.290 3.764 3.740 3.778 . 0 0 "[ . 1 . 2]" 2
652 1 39 ILE MG 1 40 GLU H . . 4.400 3.037 2.834 3.335 . 0 0 "[ . 1 . 2]" 2
653 1 39 ILE MD 1 39 ILE MG . . 2.940 2.207 1.966 2.460 . 0 0 "[ . 1 . 2]" 2
654 1 20 LEU HG 1 39 ILE MD . . 4.250 3.459 3.003 3.773 . 0 0 "[ . 1 . 2]" 2
655 1 39 ILE MD 1 61 ARG QD . . 3.950 2.987 2.373 3.922 . 0 0 "[ . 1 . 2]" 2
656 1 39 ILE HA 1 39 ILE MD . . 4.000 3.874 3.834 3.925 . 0 0 "[ . 1 . 2]" 2
657 1 20 LEU HA 1 39 ILE MD . . 4.190 3.842 3.565 4.174 . 0 0 "[ . 1 . 2]" 2
658 1 39 ILE MD 1 42 PHE QE . . 3.650 2.922 2.325 3.482 . 0 0 "[ . 1 . 2]" 2
659 1 39 ILE MD 1 42 PHE HZ . . 3.690 2.747 2.113 3.452 . 0 0 "[ . 1 . 2]" 2
660 1 40 GLU HA 1 40 GLU HG3 . . 3.820 3.218 2.389 3.910 0.090 7 0 "[ . 1 . 2]" 2
661 1 40 GLU HA 1 40 GLU HG2 . . 3.820 2.964 2.320 3.652 . 0 0 "[ . 1 . 2]" 2
662 1 32 CYS HB2 1 40 GLU HA . . 3.830 2.354 2.070 2.660 . 0 0 "[ . 1 . 2]" 2
663 1 32 CYS HB3 1 40 GLU HA . . 4.180 2.234 2.027 2.448 . 0 0 "[ . 1 . 2]" 2
664 1 40 GLU HA 1 42 PHE QE . . 4.440 2.917 2.678 3.257 . 0 0 "[ . 1 . 2]" 2
665 1 32 CYS H 1 40 GLU HA . . 4.170 2.638 2.422 2.995 . 0 0 "[ . 1 . 2]" 2
666 1 40 GLU H 1 40 GLU HG2 . . 5.110 3.625 2.316 4.989 . 0 0 "[ . 1 . 2]" 2
667 1 40 GLU H 1 40 GLU HG3 . . 5.110 3.943 3.242 5.063 . 0 0 "[ . 1 . 2]" 2
668 1 31 GLY HA2 1 41 TRP HA . . 3.570 3.176 2.968 3.378 . 0 0 "[ . 1 . 2]" 2
669 1 32 CYS H 1 41 TRP HA . . 4.630 3.807 3.417 3.993 . 0 0 "[ . 1 . 2]" 2
670 1 30 ILE H 1 41 TRP HA . . 5.350 3.694 3.517 3.973 . 0 0 "[ . 1 . 2]" 2
671 1 18 TYR HB2 1 41 TRP HB2 . . 4.070 3.180 2.703 3.486 . 0 0 "[ . 1 . 2]" 2
672 1 41 TRP HB2 1 42 PHE H . . 4.660 4.393 4.243 4.494 . 0 0 "[ . 1 . 2]" 2
673 1 43 HIS HB2 1 44 PHE H . . 4.770 4.021 3.814 4.197 . 0 0 "[ . 1 . 2]" 2
674 1 43 HIS HB2 1 45 ALA H . . 4.640 4.306 3.664 4.648 0.008 7 0 "[ . 1 . 2]" 2
675 1 43 HIS HB3 1 45 ALA MB . . 5.110 3.714 3.233 3.919 . 0 0 "[ . 1 . 2]" 2
676 1 30 ILE MD 1 44 PHE HA . . 4.280 4.000 3.581 4.303 0.023 11 0 "[ . 1 . 2]" 2
677 1 44 PHE HA 1 49 LEU HB3 . . 3.940 3.457 3.225 3.943 0.003 17 0 "[ . 1 . 2]" 2
678 1 44 PHE HA 1 47 VAL MG2 . . 3.250 2.106 1.896 2.315 . 0 0 "[ . 1 . 2]" 2
679 1 44 PHE HA 1 49 LEU HB2 . . 3.600 2.084 1.970 2.390 . 0 0 "[ . 1 . 2]" 2
680 1 44 PHE HA 1 44 PHE QE . . 4.550 4.441 4.381 4.493 . 0 0 "[ . 1 . 2]" 2
681 1 44 PHE HB2 1 45 ALA MB . . 5.040 4.018 3.914 4.190 . 0 0 "[ . 1 . 2]" 2
682 1 43 HIS HA 1 44 PHE HB2 . . 5.260 4.442 4.357 4.537 . 0 0 "[ . 1 . 2]" 2
683 1 44 PHE HB3 1 45 ALA MB . . 4.950 4.282 4.152 4.487 . 0 0 "[ . 1 . 2]" 2
684 1 45 ALA MB 1 46 CYS HB2 . . 5.300 4.299 4.184 4.561 . 0 0 "[ . 1 . 2]" 2
685 1 43 HIS HB2 1 45 ALA MB . . 4.460 4.009 3.631 4.218 . 0 0 "[ . 1 . 2]" 2
686 1 45 ALA H 1 45 ALA MB . . 3.110 2.149 2.037 2.248 . 0 0 "[ . 1 . 2]" 2
687 1 43 HIS H 1 46 CYS HB3 . . 4.650 3.806 3.565 4.202 . 0 0 "[ . 1 . 2]" 2
688 1 47 VAL HB 1 49 LEU MD1 . . 5.500 3.512 3.058 3.966 . 0 0 "[ . 1 . 2]" 2
689 1 30 ILE MD 1 47 VAL HB . . 5.500 4.437 3.567 4.874 . 0 0 "[ . 1 . 2]" 2
690 1 47 VAL HB 1 60 PRO QG . . 4.590 3.479 3.020 3.996 . 0 0 "[ . 1 . 2]" 2
691 1 47 VAL HB 1 57 TRP HH2 . . 4.730 4.265 3.824 4.721 . 0 0 "[ . 1 . 2]" 2
692 1 47 VAL HB 1 57 TRP HE1 . . 4.730 3.951 3.401 4.489 . 0 0 "[ . 1 . 2]" 2
693 1 47 VAL MG1 1 57 TRP HE1 . . 5.030 4.692 4.254 5.042 0.012 12 0 "[ . 1 . 2]" 2
694 1 30 ILE MD 1 47 VAL MG2 . . 3.290 2.699 2.140 3.293 0.003 9 0 "[ . 1 . 2]" 2
695 1 47 VAL MG2 1 49 LEU HG . . 3.190 2.060 1.927 2.453 . 0 0 "[ . 1 . 2]" 2
696 1 47 VAL MG2 1 57 TRP HH2 . . 4.150 3.793 3.493 4.146 . 0 0 "[ . 1 . 2]" 2
697 1 47 VAL MG2 1 57 TRP HZ2 . . 3.260 2.804 2.386 3.274 0.014 1 0 "[ . 1 . 2]" 2
698 1 47 VAL H 1 47 VAL MG2 . . 3.040 1.986 1.867 2.172 . 0 0 "[ . 1 . 2]" 2
699 1 47 VAL MG2 1 48 GLY H . . 4.010 3.285 1.895 3.647 . 0 0 "[ . 1 . 2]" 2
700 1 47 VAL MG2 1 57 TRP HE1 . . 4.580 3.772 3.463 4.102 . 0 0 "[ . 1 . 2]" 2
701 1 44 PHE HB2 1 49 LEU HB2 . . 4.750 4.196 3.751 4.677 . 0 0 "[ . 1 . 2]" 2
702 1 44 PHE HB3 1 49 LEU HB3 . . 4.400 3.473 3.078 4.275 . 0 0 "[ . 1 . 2]" 2
703 1 44 PHE QD 1 49 LEU HB3 . . 4.690 2.761 2.202 3.715 . 0 0 "[ . 1 . 2]" 2
704 1 44 PHE QE 1 49 LEU HB3 . . 5.250 3.586 3.199 4.391 . 0 0 "[ . 1 . 2]" 2
705 1 30 ILE MG 1 49 LEU MD2 . . 4.150 4.045 3.827 4.175 0.025 14 0 "[ . 1 . 2]" 2
706 1 44 PHE QE 1 49 LEU MD2 . . 5.350 4.458 4.068 5.147 . 0 0 "[ . 1 . 2]" 2
707 1 49 LEU MD2 1 57 TRP HZ2 . . 5.500 4.640 3.976 5.344 . 0 0 "[ . 1 . 2]" 2
708 1 44 PHE QE 1 51 THR HB . . 5.500 4.953 4.334 5.494 . 0 0 "[ . 1 . 2]" 2
709 1 30 ILE MG 1 52 LYS HG2 . . 4.670 4.327 3.708 4.659 . 0 0 "[ . 1 . 2]" 2
710 1 44 PHE HZ 1 52 LYS HG2 . . 4.720 3.759 2.797 4.116 . 0 0 "[ . 1 . 2]" 2
711 1 52 LYS HG3 1 53 PRO HD3 . . 4.800 4.133 3.809 4.614 . 0 0 "[ . 1 . 2]" 2
712 1 52 LYS HG2 1 53 PRO HD3 . . 4.800 4.308 3.672 4.684 . 0 0 "[ . 1 . 2]" 2
713 1 30 ILE MG 1 52 LYS QD . . 5.150 4.683 3.559 5.154 0.004 16 0 "[ . 1 . 2]" 2
714 1 44 PHE QE 1 52 LYS QE . . 5.340 4.607 3.413 5.362 0.022 18 0 "[ . 1 . 2]" 2
715 1 44 PHE HZ 1 52 LYS QE . . 5.500 3.797 2.102 4.630 . 0 0 "[ . 1 . 2]" 2
716 1 44 PHE QE 1 53 PRO HD2 . . 5.250 3.750 3.447 4.156 . 0 0 "[ . 1 . 2]" 2
717 1 44 PHE QE 1 53 PRO HD3 . . 4.660 3.700 3.251 4.306 . 0 0 "[ . 1 . 2]" 2
718 1 44 PHE HZ 1 53 PRO HD3 . . 5.070 3.975 3.505 4.543 . 0 0 "[ . 1 . 2]" 2
719 1 56 LYS HB3 1 58 PHE QE . . 4.530 3.900 2.105 4.521 . 0 0 "[ . 1 . 2]" 2
720 1 56 LYS HB2 1 58 PHE QE . . 4.530 3.665 3.035 4.299 . 0 0 "[ . 1 . 2]" 2
721 1 56 LYS HB2 1 58 PHE HZ . . 5.030 4.169 3.229 5.032 0.002 12 0 "[ . 1 . 2]" 2
722 1 56 LYS H 1 56 LYS QD . . 4.870 4.174 1.855 4.823 . 0 0 "[ . 1 . 2]" 2
723 1 56 LYS QD 1 57 TRP H . . 5.280 4.724 3.442 5.270 . 0 0 "[ . 1 . 2]" 2
724 1 56 LYS QE 1 58 PHE QE . . 4.780 3.703 2.045 4.712 . 0 0 "[ . 1 . 2]" 2
725 1 56 LYS QE 1 58 PHE HZ . . 4.750 3.669 1.813 4.589 . 0 0 "[ . 1 . 2]" 2
726 1 57 TRP HB2 1 58 PHE H . . 4.580 4.217 3.874 4.376 . 0 0 "[ . 1 . 2]" 2
727 1 32 CYS HA 1 58 PHE HA . . 4.840 3.563 3.124 4.013 . 0 0 "[ . 1 . 2]" 2
728 1 58 PHE HB2 1 62 CYS HB3 . . 5.500 5.463 5.251 5.523 0.023 20 0 "[ . 1 . 2]" 2
729 1 58 PHE HB2 1 63 SER HB3 . . 4.230 3.984 3.452 4.234 0.004 13 0 "[ . 1 . 2]" 2
730 1 58 PHE HB3 1 63 SER HB3 . . 4.400 4.346 4.095 4.423 0.023 10 0 "[ . 1 . 2]" 2
731 1 57 TRP HZ3 1 59 CYS HB2 . . 4.840 3.929 3.487 4.458 . 0 0 "[ . 1 . 2]" 2
732 1 59 CYS HB2 1 61 ARG H . . 4.780 2.978 2.848 3.129 . 0 0 "[ . 1 . 2]" 2
733 1 47 VAL MG1 1 59 CYS HB3 . . 4.970 4.809 4.258 4.992 0.022 14 0 "[ . 1 . 2]" 2
734 1 58 PHE HA 1 59 CYS HB3 . . 4.770 4.412 4.376 4.510 . 0 0 "[ . 1 . 2]" 2
735 1 32 CYS HA 1 59 CYS HB3 . . 5.500 4.146 3.873 4.376 . 0 0 "[ . 1 . 2]" 2
736 1 60 PRO HA 1 63 SER H . . 4.160 3.909 3.691 4.128 . 0 0 "[ . 1 . 2]" 2
737 1 60 PRO HA 1 62 CYS H . . 5.380 4.137 4.018 4.312 . 0 0 "[ . 1 . 2]" 2
738 1 42 PHE HB2 1 60 PRO HD2 . . 5.250 4.742 4.484 5.001 . 0 0 "[ . 1 . 2]" 2
739 1 47 VAL HB 1 60 PRO HD2 . . 5.500 4.418 3.821 4.728 . 0 0 "[ . 1 . 2]" 2
740 1 42 PHE QE 1 60 PRO HD2 . . 4.580 4.054 3.602 4.527 . 0 0 "[ . 1 . 2]" 2
741 1 47 VAL HB 1 60 PRO HD3 . . 4.430 3.287 2.940 3.567 . 0 0 "[ . 1 . 2]" 2
742 1 20 LEU MD1 1 60 PRO HD3 . . 5.500 5.235 4.694 5.522 0.022 10 0 "[ . 1 . 2]" 2
743 1 60 PRO HD3 1 61 ARG H . . 5.010 4.085 4.000 4.183 . 0 0 "[ . 1 . 2]" 2
744 1 61 ARG HA 1 61 ARG HG2 . . 3.760 2.572 2.278 3.815 0.055 18 0 "[ . 1 . 2]" 2
745 1 61 ARG HA 1 61 ARG QD . . 4.340 3.941 2.343 4.318 . 0 0 "[ . 1 . 2]" 2
746 1 34 ASN HD21 1 62 CYS HA . . 4.840 4.585 4.128 4.853 0.013 8 0 "[ . 1 . 2]" 2
747 1 58 PHE HA 1 62 CYS HB2 . . 4.890 4.156 3.888 4.311 . 0 0 "[ . 1 . 2]" 2
748 1 58 PHE QD 1 62 CYS HB2 . . 4.400 3.994 3.428 4.210 . 0 0 "[ . 1 . 2]" 2
749 1 34 ASN HD21 1 62 CYS HB2 . . 4.670 4.297 3.760 4.665 . 0 0 "[ . 1 . 2]" 2
750 1 34 ASN HD22 1 62 CYS HB3 . . 4.550 3.993 3.440 4.571 0.021 10 0 "[ . 1 . 2]" 2
751 1 58 PHE HA 1 62 CYS HB3 . . 5.480 5.299 4.940 5.499 0.019 9 0 "[ . 1 . 2]" 2
752 1 62 CYS HB2 1 63 SER HA . . 5.000 4.408 4.260 4.562 . 0 0 "[ . 1 . 2]" 2
753 1 58 PHE HB2 1 63 SER HB2 . . 4.230 2.536 2.091 2.892 . 0 0 "[ . 1 . 2]" 2
754 1 58 PHE HB3 1 63 SER HB2 . . 4.400 2.901 2.397 3.301 . 0 0 "[ . 1 . 2]" 2
755 1 41 TRP HB3 1 41 TRP HZ3 . . 5.500 5.091 5.011 5.137 . 0 0 "[ . 1 . 2]" 2
756 1 29 MET HB3 1 41 TRP HE3 . . 3.820 2.056 1.994 2.222 . 0 0 "[ . 1 . 2]" 2
757 1 29 MET HB2 1 41 TRP HE3 . . 3.820 2.845 2.483 3.126 . 0 0 "[ . 1 . 2]" 2
758 1 18 TYR QE 1 29 MET ME . . 5.000 4.672 3.814 4.960 . 0 0 "[ . 1 . 2]" 2
759 1 16 PRO HB3 1 18 TYR QE . . 4.390 4.381 4.234 4.417 0.027 6 0 "[ . 1 . 2]" 2
760 1 18 TYR QE 1 41 TRP HB2 . . 4.820 4.326 3.987 4.824 0.004 11 0 "[ . 1 . 2]" 2
761 1 18 TYR QE 1 41 TRP HB3 . . 5.090 4.876 4.577 5.066 . 0 0 "[ . 1 . 2]" 2
762 1 18 TYR QE 1 25 SER QB . . 3.660 3.262 2.839 3.506 . 0 0 "[ . 1 . 2]" 2
763 1 18 TYR QE 1 25 SER H . . 4.170 3.869 3.241 4.048 . 0 0 "[ . 1 . 2]" 2
764 1 18 TYR QE 1 41 TRP HE1 . . 5.500 4.835 3.837 5.515 0.015 16 0 "[ . 1 . 2]" 2
765 1 18 TYR HA 1 18 TYR QE . . 5.500 4.726 4.458 4.841 . 0 0 "[ . 1 . 2]" 2
766 1 17 THR HA 1 18 TYR QE . . 5.500 4.445 3.855 5.150 . 0 0 "[ . 1 . 2]" 2
767 1 18 TYR QE 1 39 ILE HA . . 5.500 5.110 4.736 5.503 0.003 4 0 "[ . 1 . 2]" 2
768 1 26 TYR QE 1 45 ALA MB . . 5.080 4.252 3.662 4.680 . 0 0 "[ . 1 . 2]" 2
769 1 23 GLN HB2 1 26 TYR QE . . 4.110 2.581 2.020 2.910 . 0 0 "[ . 1 . 2]" 2
770 1 23 GLN HB3 1 26 TYR QE . . 3.930 2.333 2.002 2.587 . 0 0 "[ . 1 . 2]" 2
771 1 23 GLN HG2 1 26 TYR QE . . 4.360 4.161 3.874 4.364 0.004 17 0 "[ . 1 . 2]" 2
772 1 26 TYR QE 1 43 HIS HB3 . . 5.100 3.846 3.214 4.634 . 0 0 "[ . 1 . 2]" 2
773 1 26 TYR QE 1 43 HIS HB2 . . 5.500 4.683 4.092 5.399 . 0 0 "[ . 1 . 2]" 2
774 1 26 TYR QE 1 43 HIS HE1 . . 4.870 3.385 2.710 4.010 . 0 0 "[ . 1 . 2]" 2
775 1 44 PHE QE 1 49 LEU MD1 . . 5.330 3.507 3.021 4.150 . 0 0 "[ . 1 . 2]" 2
776 1 28 GLU HB3 1 44 PHE QE . . 4.350 3.043 2.866 3.217 . 0 0 "[ . 1 . 2]" 2
777 1 44 PHE QE 1 49 LEU HB2 . . 5.180 4.604 4.244 5.116 . 0 0 "[ . 1 . 2]" 2
778 1 44 PHE QE 1 52 LYS HB2 . . 3.990 3.086 2.775 3.339 . 0 0 "[ . 1 . 2]" 2
779 1 44 PHE QE 1 52 LYS QD . . 5.500 4.500 3.755 4.796 . 0 0 "[ . 1 . 2]" 2
780 1 44 PHE QE 1 52 LYS HA . . 3.810 2.337 2.032 2.997 . 0 0 "[ . 1 . 2]" 2
781 1 44 PHE QE 1 51 THR HA . . 3.770 3.107 2.532 3.544 . 0 0 "[ . 1 . 2]" 2
782 1 30 ILE HA 1 44 PHE QE . . 4.410 3.690 3.552 3.882 . 0 0 "[ . 1 . 2]" 2
783 1 29 MET H 1 44 PHE QE . . 4.700 3.343 3.044 3.710 . 0 0 "[ . 1 . 2]" 2
784 1 44 PHE QD 1 49 LEU MD1 . . 4.300 3.399 2.939 3.894 . 0 0 "[ . 1 . 2]" 2
785 1 30 ILE MG 1 44 PHE QD . . 5.500 2.834 2.700 2.942 . 0 0 "[ . 1 . 2]" 2
786 1 28 GLU HB3 1 44 PHE QD . . 4.180 3.031 2.752 3.384 . 0 0 "[ . 1 . 2]" 2
787 1 28 GLU HB2 1 44 PHE QD . . 4.180 3.259 2.997 3.612 . 0 0 "[ . 1 . 2]" 2
788 1 44 PHE QD 1 49 LEU HB2 . . 4.480 3.340 2.966 3.935 . 0 0 "[ . 1 . 2]" 2
789 1 44 PHE HA 1 44 PHE QD . . 3.390 2.756 2.575 2.890 . 0 0 "[ . 1 . 2]" 2
790 1 44 PHE QD 1 50 THR HA . . 4.630 4.439 2.480 4.691 0.061 20 0 "[ . 1 . 2]" 2
791 1 44 PHE QD 1 51 THR HA . . 4.390 3.581 3.109 4.056 . 0 0 "[ . 1 . 2]" 2
792 1 43 HIS HA 1 44 PHE QD . . 4.950 3.367 3.208 3.503 . 0 0 "[ . 1 . 2]" 2
793 1 29 MET HA 1 44 PHE QD . . 4.170 2.535 2.376 2.793 . 0 0 "[ . 1 . 2]" 2
794 1 44 PHE H 1 44 PHE QD . . 3.630 1.950 1.862 2.058 . 0 0 "[ . 1 . 2]" 2
795 1 30 ILE H 1 44 PHE QD . . 4.750 4.173 3.954 4.362 . 0 0 "[ . 1 . 2]" 2
796 1 42 PHE QD 1 47 VAL MG1 . . 3.480 3.070 2.752 3.266 . 0 0 "[ . 1 . 2]" 2
797 1 20 LEU MD1 1 42 PHE QD . . 4.140 1.977 1.916 2.086 . 0 0 "[ . 1 . 2]" 2
798 1 42 PHE QD 1 59 CYS HB3 . . 4.630 3.572 3.283 3.753 . 0 0 "[ . 1 . 2]" 2
799 1 42 PHE QD 1 59 CYS HB2 . . 3.800 3.713 3.528 3.821 0.021 8 0 "[ . 1 . 2]" 2
800 1 42 PHE HA 1 42 PHE QD . . 4.190 3.156 3.104 3.199 . 0 0 "[ . 1 . 2]" 2
801 1 42 PHE H 1 42 PHE QD . . 3.660 2.692 2.511 2.858 . 0 0 "[ . 1 . 2]" 2
802 1 20 LEU H 1 42 PHE QD . . 3.980 3.027 2.808 3.233 . 0 0 "[ . 1 . 2]" 2
803 1 33 ASP HB3 1 58 PHE QE . . 4.990 2.920 2.075 4.417 . 0 0 "[ . 1 . 2]" 2
804 1 33 ASP HB2 1 58 PHE QE . . 4.990 3.595 2.282 4.414 . 0 0 "[ . 1 . 2]" 2
805 1 34 ASN HB3 1 58 PHE QE . . 5.500 5.206 4.824 5.479 . 0 0 "[ . 1 . 2]" 2
806 1 34 ASN H 1 58 PHE QE . . 4.730 3.610 2.905 4.645 . 0 0 "[ . 1 . 2]" 2
807 1 34 ASN H 1 58 PHE QD . . 4.130 3.040 2.373 4.044 . 0 0 "[ . 1 . 2]" 2
808 1 33 ASP H 1 58 PHE QD . . 4.310 3.708 3.016 4.222 . 0 0 "[ . 1 . 2]" 2
809 1 56 LYS HB3 1 58 PHE HZ . . 5.030 4.118 3.379 4.881 . 0 0 "[ . 1 . 2]" 2
810 1 56 LYS QD 1 58 PHE HZ . . 3.890 2.735 1.955 3.890 . 0 0 "[ . 1 . 2]" 2
811 1 30 ILE MG 1 44 PHE HZ . . 5.030 2.628 2.484 2.795 . 0 0 "[ . 1 . 2]" 2
812 1 30 ILE HB 1 44 PHE HZ . . 5.130 5.010 4.832 5.152 0.022 19 0 "[ . 1 . 2]" 2
813 1 44 PHE HZ 1 52 LYS HG3 . . 4.720 2.166 1.978 2.396 . 0 0 "[ . 1 . 2]" 2
814 1 44 PHE HZ 1 52 LYS QD . . 4.010 3.744 2.800 4.068 0.058 9 0 "[ . 1 . 2]" 2
815 1 44 PHE HZ 1 52 LYS HB2 . . 3.590 3.187 2.799 3.595 0.005 10 0 "[ . 1 . 2]" 2
816 1 44 PHE HZ 1 52 LYS HA . . 3.710 2.557 2.221 2.908 . 0 0 "[ . 1 . 2]" 2
817 1 44 PHE HZ 1 52 LYS H . . 4.660 4.258 3.789 4.666 0.006 6 0 "[ . 1 . 2]" 2
818 1 39 ILE MG 1 42 PHE HZ . . 4.060 3.361 2.880 3.849 . 0 0 "[ . 1 . 2]" 2
819 1 39 ILE HB 1 42 PHE HZ . . 3.390 2.888 2.421 3.287 . 0 0 "[ . 1 . 2]" 2
820 1 40 GLU H 1 42 PHE HZ . . 5.290 3.783 3.460 4.292 . 0 0 "[ . 1 . 2]" 2
821 1 44 PHE HZ 1 53 PRO HD2 . . 5.160 3.171 2.665 3.684 . 0 0 "[ . 1 . 2]" 2
822 1 29 MET ME 1 41 TRP HD1 . . 5.500 5.225 5.068 5.498 . 0 0 "[ . 1 . 2]" 2
823 1 41 TRP HB2 1 41 TRP HD1 . . 3.620 2.585 2.569 2.624 . 0 0 "[ . 1 . 2]" 2
824 1 40 GLU HA 1 41 TRP HD1 . . 5.410 4.964 4.734 5.089 . 0 0 "[ . 1 . 2]" 2
825 1 41 TRP HA 1 41 TRP HD1 . . 4.770 4.216 4.012 4.295 . 0 0 "[ . 1 . 2]" 2
826 1 41 TRP H 1 41 TRP HD1 . . 4.320 4.246 3.978 4.349 0.029 14 0 "[ . 1 . 2]" 2
827 1 29 MET ME 1 41 TRP HE3 . . 4.690 2.626 2.137 3.138 . 0 0 "[ . 1 . 2]" 2
828 1 30 ILE HA 1 41 TRP HE3 . . 5.030 4.484 4.260 4.620 . 0 0 "[ . 1 . 2]" 2
829 1 31 GLY HA2 1 41 TRP HE3 . . 5.380 4.446 4.331 4.518 . 0 0 "[ . 1 . 2]" 2
830 1 29 MET H 1 41 TRP HE3 . . 5.500 5.332 5.145 5.514 0.014 12 0 "[ . 1 . 2]" 2
831 1 31 GLY H 1 41 TRP HE3 . . 5.500 5.418 5.289 5.509 0.009 5 0 "[ . 1 . 2]" 2
832 1 30 ILE H 1 41 TRP HE3 . . 4.620 3.218 3.028 3.524 . 0 0 "[ . 1 . 2]" 2
833 1 31 GLY H 1 41 TRP HH2 . . 5.500 5.450 5.207 5.516 0.016 7 0 "[ . 1 . 2]" 2
834 1 49 LEU MD1 1 57 TRP HD1 . . 5.500 3.637 3.007 4.267 . 0 0 "[ . 1 . 2]" 2
835 1 30 ILE MG 1 57 TRP HD1 . . 5.500 5.290 4.885 5.501 0.001 14 0 "[ . 1 . 2]" 2
836 1 49 LEU MD2 1 57 TRP HD1 . . 4.220 3.205 2.595 3.746 . 0 0 "[ . 1 . 2]" 2
837 1 53 PRO HB3 1 57 TRP HD1 . . 4.950 2.892 2.337 4.120 . 0 0 "[ . 1 . 2]" 2
838 1 53 PRO HB2 1 57 TRP HD1 . . 4.950 3.104 2.500 4.022 . 0 0 "[ . 1 . 2]" 2
839 1 57 TRP HA 1 57 TRP HD1 . . 3.870 3.194 2.952 3.294 . 0 0 "[ . 1 . 2]" 2
840 1 30 ILE MD 1 57 TRP HE3 . . 4.540 3.914 3.574 4.202 . 0 0 "[ . 1 . 2]" 2
841 1 30 ILE HG13 1 57 TRP HE3 . . 4.020 2.822 2.661 3.058 . 0 0 "[ . 1 . 2]" 2
842 1 30 ILE HG12 1 57 TRP HE3 . . 4.480 3.009 2.371 3.483 . 0 0 "[ . 1 . 2]" 2
843 1 57 TRP HB3 1 57 TRP HE3 . . 4.150 2.560 2.465 2.604 . 0 0 "[ . 1 . 2]" 2
844 1 57 TRP HB2 1 57 TRP HE3 . . 4.150 4.104 4.019 4.133 . 0 0 "[ . 1 . 2]" 2
845 1 32 CYS HA 1 57 TRP HE3 . . 3.190 2.312 2.113 2.521 . 0 0 "[ . 1 . 2]" 2
846 1 33 ASP H 1 57 TRP HE3 . . 4.120 3.762 3.394 4.102 . 0 0 "[ . 1 . 2]" 2
847 1 57 TRP H 1 57 TRP HE3 . . 4.940 4.333 4.129 4.605 . 0 0 "[ . 1 . 2]" 2
848 1 47 VAL MG1 1 57 TRP HZ2 . . 3.510 2.398 2.036 2.703 . 0 0 "[ . 1 . 2]" 2
849 1 57 TRP HZ2 1 60 PRO QG . . 4.790 4.063 3.837 4.382 . 0 0 "[ . 1 . 2]" 2
850 1 57 TRP HZ2 1 59 CYS HB2 . . 5.110 4.466 4.048 4.894 . 0 0 "[ . 1 . 2]" 2
851 1 57 TRP HZ2 1 59 CYS HB3 . . 5.350 4.856 4.362 5.349 . 0 0 "[ . 1 . 2]" 2
852 1 47 VAL HB 1 57 TRP HZ2 . . 3.200 2.466 2.059 2.823 . 0 0 "[ . 1 . 2]" 2
853 1 57 TRP HZ2 1 60 PRO HD2 . . 4.380 3.579 3.255 3.947 . 0 0 "[ . 1 . 2]" 2
854 1 57 TRP HZ2 1 59 CYS HA . . 3.930 2.902 2.389 3.320 . 0 0 "[ . 1 . 2]" 2
855 1 57 TRP HZ2 1 60 PRO HD3 . . 4.090 2.528 2.183 2.974 . 0 0 "[ . 1 . 2]" 2
856 1 47 VAL MG1 1 57 TRP HZ3 . . 5.420 4.641 4.117 5.128 . 0 0 "[ . 1 . 2]" 2
857 1 57 TRP HZ3 1 59 CYS HB3 . . 4.350 2.774 2.377 3.161 . 0 0 "[ . 1 . 2]" 2
858 1 42 PHE HB2 1 57 TRP HZ3 . . 4.850 4.147 3.651 4.560 . 0 0 "[ . 1 . 2]" 2
859 1 32 CYS HB2 1 57 TRP HZ3 . . 3.690 2.852 2.493 3.159 . 0 0 "[ . 1 . 2]" 2
860 1 57 TRP HZ3 1 59 CYS HA . . 4.950 3.519 3.101 3.953 . 0 0 "[ . 1 . 2]" 2
861 1 42 PHE QD 1 57 TRP HZ3 . . 3.600 2.840 2.244 3.334 . 0 0 "[ . 1 . 2]" 2
862 1 42 PHE QE 1 57 TRP HZ3 . . 4.330 3.590 3.131 3.997 . 0 0 "[ . 1 . 2]" 2
863 1 32 CYS H 1 57 TRP HZ3 . . 4.570 3.137 2.634 3.428 . 0 0 "[ . 1 . 2]" 2
864 1 33 ASP H 1 57 TRP HZ3 . . 5.480 5.002 4.718 5.471 . 0 0 "[ . 1 . 2]" 2
865 1 30 ILE MD 1 57 TRP HH2 . . 4.260 2.382 2.163 2.570 . 0 0 "[ . 1 . 2]" 2
866 1 47 VAL MG1 1 57 TRP HH2 . . 3.620 2.534 2.018 3.083 . 0 0 "[ . 1 . 2]" 2
867 1 57 TRP HH2 1 59 CYS HB3 . . 4.080 3.038 2.489 3.438 . 0 0 "[ . 1 . 2]" 2
868 1 57 TRP HH2 1 59 CYS HB2 . . 4.010 2.945 2.689 3.185 . 0 0 "[ . 1 . 2]" 2
869 1 42 PHE HB2 1 57 TRP HH2 . . 3.970 2.730 2.295 2.939 . 0 0 "[ . 1 . 2]" 2
870 1 57 TRP HH2 1 60 PRO HD2 . . 4.170 3.086 2.787 3.453 . 0 0 "[ . 1 . 2]" 2
871 1 57 TRP HH2 1 59 CYS HA . . 3.690 2.554 2.358 2.913 . 0 0 "[ . 1 . 2]" 2
872 1 42 PHE QD 1 57 TRP HH2 . . 4.220 2.857 2.385 3.121 . 0 0 "[ . 1 . 2]" 2
873 1 17 THR MG 1 23 GLN HB2 . . 4.590 4.449 4.329 4.602 0.012 16 0 "[ . 1 . 2]" 2
874 1 34 ASN HB2 1 62 CYS HB3 . . 4.490 3.531 3.061 3.924 . 0 0 "[ . 1 . 2]" 2
875 1 29 MET HB3 1 29 MET ME . . 3.420 2.158 1.978 2.372 . 0 0 "[ . 1 . 2]" 2
876 1 29 MET HB2 1 29 MET ME . . 3.420 3.359 3.152 3.428 0.008 14 0 "[ . 1 . 2]" 2
877 1 29 MET ME 1 29 MET HG3 . . 3.530 3.370 3.338 3.398 . 0 0 "[ . 1 . 2]" 2
878 1 19 CYS HB2 1 29 MET ME . . 3.750 3.145 2.852 3.497 . 0 0 "[ . 1 . 2]" 2
879 1 29 MET ME 1 41 TRP HB2 . . 3.760 3.462 3.254 3.680 . 0 0 "[ . 1 . 2]" 2
880 1 29 MET ME 1 41 TRP HB3 . . 3.350 2.106 1.941 2.392 . 0 0 "[ . 1 . 2]" 2
881 1 18 TYR HB3 1 29 MET ME . . 3.730 3.702 3.356 3.784 0.054 8 0 "[ . 1 . 2]" 2
882 1 29 MET ME 1 43 HIS HA . . 3.860 3.508 3.240 3.781 . 0 0 "[ . 1 . 2]" 2
883 1 29 MET ME 1 41 TRP HA . . 4.550 3.458 3.151 3.824 . 0 0 "[ . 1 . 2]" 2
884 1 29 MET HA 1 29 MET ME . . 4.080 3.650 3.482 3.826 . 0 0 "[ . 1 . 2]" 2
885 1 29 MET ME 1 43 HIS HD2 . . 3.780 2.994 2.450 3.483 . 0 0 "[ . 1 . 2]" 2
886 1 18 TYR QD 1 29 MET ME . . 3.650 3.323 2.088 3.673 0.023 5 0 "[ . 1 . 2]" 2
887 1 19 CYS H 1 29 MET ME . . 4.060 3.190 2.992 3.400 . 0 0 "[ . 1 . 2]" 2
888 1 18 TYR H 1 29 MET ME . . 4.880 4.290 3.968 4.492 . 0 0 "[ . 1 . 2]" 2
889 1 29 MET ME 1 42 PHE H . . 4.140 2.811 2.529 3.169 . 0 0 "[ . 1 . 2]" 2
890 1 29 MET ME 1 43 HIS H . . 4.520 3.683 2.909 4.047 . 0 0 "[ . 1 . 2]" 2
891 1 29 MET ME 1 30 ILE H . . 4.640 3.664 3.360 4.017 . 0 0 "[ . 1 . 2]" 2
892 1 29 MET ME 1 43 HIS HE1 . . 3.950 3.738 3.380 3.959 0.009 5 0 "[ . 1 . 2]" 2
893 1 18 TYR HB2 1 43 HIS HE1 . . 5.230 5.067 4.824 5.244 0.014 1 0 "[ . 1 . 2]" 2
894 1 19 CYS HA 1 43 HIS HE1 . . 5.500 5.005 4.660 5.494 . 0 0 "[ . 1 . 2]" 2
895 1 25 SER HA 1 43 HIS HE1 . . 5.500 5.163 4.841 5.397 . 0 0 "[ . 1 . 2]" 2
896 1 19 CYS HB3 1 43 HIS HE1 . . 3.750 2.202 1.985 2.540 . 0 0 "[ . 1 . 2]" 2
897 1 23 GLN HA 1 43 HIS HE1 . . 5.340 4.847 4.537 5.381 0.041 17 0 "[ . 1 . 2]" 2
898 1 26 TYR QD 1 43 HIS HE1 . . 5.040 4.259 3.681 4.786 . 0 0 "[ . 1 . 2]" 2
899 1 23 GLN H 1 43 HIS HE1 . . 3.930 3.199 2.794 3.549 . 0 0 "[ . 1 . 2]" 2
900 1 29 MET HG2 1 43 HIS HD2 . . 4.190 2.244 1.996 2.724 . 0 0 "[ . 1 . 2]" 2
901 1 29 MET HG3 1 43 HIS HD2 . . 4.340 2.965 2.487 3.639 . 0 0 "[ . 1 . 2]" 2
902 1 26 TYR QE 1 43 HIS HD2 . . 4.850 4.245 3.415 4.755 . 0 0 "[ . 1 . 2]" 2
903 1 43 HIS HD2 1 44 PHE H . . 5.240 4.564 4.283 4.797 . 0 0 "[ . 1 . 2]" 2
904 1 22 HIS HA 1 22 HIS HD2 . . 4.830 4.537 4.404 4.654 . 0 0 "[ . 1 . 2]" 2
905 1 57 TRP HE3 1 58 PHE HA . . 5.490 3.888 3.584 4.496 . 0 0 "[ . 1 . 2]" 2
906 1 32 CYS H 1 57 TRP HE3 . . 5.210 3.981 3.580 4.293 . 0 0 "[ . 1 . 2]" 2
907 1 29 MET HB3 1 41 TRP HZ3 . . 4.820 3.158 2.773 3.495 . 0 0 "[ . 1 . 2]" 2
908 1 29 MET HB2 1 41 TRP HZ3 . . 4.820 2.517 2.150 2.789 . 0 0 "[ . 1 . 2]" 2
909 1 41 TRP HA 1 41 TRP HZ3 . . 5.260 4.890 4.775 5.153 . 0 0 "[ . 1 . 2]" 2
910 1 31 GLY HA3 1 41 TRP HH2 . . 5.260 4.966 4.784 5.171 . 0 0 "[ . 1 . 2]" 2
911 1 28 GLU HG3 1 44 PHE QD . . 5.500 4.788 3.746 5.480 . 0 0 "[ . 1 . 2]" 2
912 1 28 GLU HG2 1 44 PHE QD . . 5.500 4.782 3.876 5.455 . 0 0 "[ . 1 . 2]" 2
913 1 44 PHE QD 1 52 LYS HB2 . . 5.500 5.327 5.031 5.516 0.016 1 0 "[ . 1 . 2]" 2
914 1 58 PHE HA 1 58 PHE QD . . 4.480 2.745 2.444 3.176 . 0 0 "[ . 1 . 2]" 2
915 1 22 HIS HE1 1 39 ILE MD . . 5.500 5.301 4.664 5.508 0.008 13 0 "[ . 1 . 2]" 2
916 1 22 HIS H 1 22 HIS HD2 . . 5.200 4.389 4.121 4.725 . 0 0 "[ . 1 . 2]" 2
917 1 21 CYS HA 1 22 HIS HD2 . . 5.450 4.257 3.802 4.846 . 0 0 "[ . 1 . 2]" 2
918 1 20 LEU HA 1 22 HIS HD2 . . 5.500 5.131 4.720 5.510 0.010 20 0 "[ . 1 . 2]" 2
919 1 20 LEU HA 1 22 HIS HE1 . . 5.500 4.831 4.275 5.505 0.005 7 0 "[ . 1 . 2]" 2
920 1 22 HIS HB2 1 23 GLN H . . 5.500 4.378 4.231 4.446 . 0 0 "[ . 1 . 2]" 2
921 1 17 THR MG 1 22 HIS HB2 . . 5.500 4.116 3.822 4.359 . 0 0 "[ . 1 . 2]" 2
922 1 8 ASP QB 1 9 MET H . . 4.070 3.515 2.269 4.052 . 0 0 "[ . 1 . 2]" 2
923 1 9 MET H 1 9 MET QG . . 4.750 3.074 1.897 4.139 . 0 0 "[ . 1 . 2]" 2
924 1 11 VAL H 1 11 VAL QG . . 3.860 1.972 1.809 2.672 . 0 0 "[ . 1 . 2]" 2
925 1 11 VAL HA 1 12 ASP QB . . 4.820 4.285 3.901 4.613 . 0 0 "[ . 1 . 2]" 2
926 1 11 VAL QG 1 12 ASP H . . 4.690 3.057 1.989 3.695 . 0 0 "[ . 1 . 2]" 2
927 1 12 ASP H 1 12 ASP QB . . 3.390 3.046 2.257 3.394 0.004 9 0 "[ . 1 . 2]" 2
928 1 12 ASP QB 1 13 PRO QG . . 3.850 3.617 3.415 3.848 . 0 0 "[ . 1 . 2]" 2
929 1 12 ASP QB 1 13 PRO QD . . 3.990 2.130 1.935 2.467 . 0 0 "[ . 1 . 2]" 2
930 1 12 ASP QB 1 14 ASN H . . 3.760 2.453 2.172 3.430 . 0 0 "[ . 1 . 2]" 2
931 1 14 ASN H 1 14 ASN QB . . 3.260 2.444 2.169 2.979 . 0 0 "[ . 1 . 2]" 2
932 1 14 ASN QB 1 15 GLU H . . 3.730 2.585 2.057 3.785 0.055 15 0 "[ . 1 . 2]" 2
933 1 14 ASN QB 1 15 GLU QG . . 4.540 3.677 2.858 4.345 . 0 0 "[ . 1 . 2]" 2
934 1 15 GLU H 1 16 PRO QD . . 4.450 4.140 3.560 4.363 . 0 0 "[ . 1 . 2]" 2
935 1 15 GLU HA 1 16 PRO QG . . 4.540 3.878 3.765 4.068 . 0 0 "[ . 1 . 2]" 2
936 1 15 GLU HB3 1 16 PRO QD . . 3.790 2.888 1.988 3.821 0.031 3 0 "[ . 1 . 2]" 2
937 1 15 GLU QG 1 16 PRO QD . . 3.820 3.132 2.338 3.592 . 0 0 "[ . 1 . 2]" 2
938 1 16 PRO QB 1 17 THR H . . 3.660 3.028 2.488 3.517 . 0 0 "[ . 1 . 2]" 2
939 1 16 PRO QB 1 17 THR MG . . 5.340 4.727 4.482 4.883 . 0 0 "[ . 1 . 2]" 2
940 1 16 PRO QB 1 18 TYR QD . . 4.940 4.084 3.869 4.231 . 0 0 "[ . 1 . 2]" 2
941 1 16 PRO QB 1 18 TYR QE . . 3.640 2.916 2.644 3.069 . 0 0 "[ . 1 . 2]" 2
942 1 16 PRO QG 1 18 TYR QE . . 3.690 2.547 1.990 3.338 . 0 0 "[ . 1 . 2]" 2
943 1 17 THR HB 1 22 HIS QB . . 4.420 3.386 2.998 4.027 . 0 0 "[ . 1 . 2]" 2
944 1 17 THR MG 1 22 HIS QB . . 4.660 2.891 2.531 3.166 . 0 0 "[ . 1 . 2]" 2
945 1 20 LEU H 1 21 CYS QB . . 4.930 4.794 4.697 4.875 . 0 0 "[ . 1 . 2]" 2
946 1 20 LEU MD1 1 21 CYS QB . . 5.270 4.901 4.580 5.197 . 0 0 "[ . 1 . 2]" 2
947 1 20 LEU MD1 1 60 PRO QB . . 5.220 4.694 3.862 5.114 . 0 0 "[ . 1 . 2]" 2
948 1 21 CYS QB 1 23 GLN HG2 . . 3.640 3.480 3.242 3.686 0.046 17 0 "[ . 1 . 2]" 2
949 1 21 CYS QB 1 23 GLN HG3 . . 3.750 3.093 2.280 3.448 . 0 0 "[ . 1 . 2]" 2
950 1 23 GLN HB3 1 23 GLN QE . . 4.510 3.123 2.003 3.927 . 0 0 "[ . 1 . 2]" 2
951 1 26 TYR QB 1 27 GLY H . . 3.610 2.634 2.302 3.653 0.043 16 0 "[ . 1 . 2]" 2
952 1 26 TYR QB 1 43 HIS HD2 . . 5.340 4.950 4.235 5.289 . 0 0 "[ . 1 . 2]" 2
953 1 26 TYR QD 1 27 GLY QA . . 3.770 2.367 2.272 2.492 . 0 0 "[ . 1 . 2]" 2
954 1 28 GLU H 1 28 GLU QB . . 3.180 2.321 2.210 2.466 . 0 0 "[ . 1 . 2]" 2
955 1 28 GLU HA 1 28 GLU QG . . 3.410 2.577 2.249 3.064 . 0 0 "[ . 1 . 2]" 2
956 1 28 GLU QB 1 29 MET H . . 3.750 3.074 2.961 3.239 . 0 0 "[ . 1 . 2]" 2
957 1 28 GLU QB 1 44 PHE HB2 . . 3.940 2.549 2.161 3.112 . 0 0 "[ . 1 . 2]" 2
958 1 28 GLU QB 1 44 PHE HB3 . . 5.030 3.734 3.386 4.252 . 0 0 "[ . 1 . 2]" 2
959 1 28 GLU QB 1 44 PHE HZ . . 4.370 3.644 3.380 3.898 . 0 0 "[ . 1 . 2]" 2
960 1 28 GLU QG 1 44 PHE QE . . 4.360 4.196 3.792 4.384 0.024 10 0 "[ . 1 . 2]" 2
961 1 29 MET H 1 29 MET QB . . 3.300 2.698 2.619 2.792 . 0 0 "[ . 1 . 2]" 2
962 1 29 MET QB 1 30 ILE H . . 3.380 2.370 2.256 2.590 . 0 0 "[ . 1 . 2]" 2
963 1 29 MET QB 1 41 TRP HE3 . . 3.330 2.004 1.917 2.113 . 0 0 "[ . 1 . 2]" 2
964 1 29 MET QB 1 44 PHE QD . . 5.340 4.548 4.400 4.760 . 0 0 "[ . 1 . 2]" 2
965 1 29 MET QB 1 44 PHE QE . . 5.220 4.426 4.212 4.717 . 0 0 "[ . 1 . 2]" 2
966 1 30 ILE MG 1 52 LYS QG . . 3.960 3.230 2.752 3.562 . 0 0 "[ . 1 . 2]" 2
967 1 30 ILE MG 1 53 PRO QB . . 5.340 4.741 4.216 5.009 . 0 0 "[ . 1 . 2]" 2
968 1 30 ILE MG 1 53 PRO QG . . 3.330 3.060 2.513 3.338 0.008 18 0 "[ . 1 . 2]" 2
969 1 30 ILE MG 1 57 TRP QB . . 4.430 4.287 4.122 4.448 0.018 14 0 "[ . 1 . 2]" 2
970 1 30 ILE HG13 1 57 TRP QB . . 4.780 3.706 3.453 3.995 . 0 0 "[ . 1 . 2]" 2
971 1 32 CYS HB3 1 40 GLU QB . . 4.340 3.005 2.263 3.488 . 0 0 "[ . 1 . 2]" 2
972 1 33 ASP H 1 33 ASP QB . . 3.160 2.333 2.214 2.814 . 0 0 "[ . 1 . 2]" 2
973 1 33 ASP QB 1 34 ASN H . . 4.440 2.864 2.506 3.822 . 0 0 "[ . 1 . 2]" 2
974 1 33 ASP QB 1 56 LYS QB . . 3.550 3.045 1.963 3.562 0.012 19 0 "[ . 1 . 2]" 2
975 1 33 ASP QB 1 56 LYS QG . . 4.760 4.004 2.447 4.742 . 0 0 "[ . 1 . 2]" 2
976 1 33 ASP QB 1 56 LYS QD . . 4.230 3.806 2.271 4.269 0.039 14 0 "[ . 1 . 2]" 2
977 1 33 ASP QB 1 57 TRP H . . 3.890 2.997 2.175 3.811 . 0 0 "[ . 1 . 2]" 2
978 1 33 ASP QB 1 58 PHE QD . . 4.470 3.222 2.679 4.013 . 0 0 "[ . 1 . 2]" 2
979 1 33 ASP QB 1 58 PHE QE . . 4.250 2.622 2.065 3.165 . 0 0 "[ . 1 . 2]" 2
980 1 33 ASP QB 1 58 PHE HZ . . 4.790 3.583 3.007 4.185 . 0 0 "[ . 1 . 2]" 2
981 1 34 ASN HA 1 35 PRO QD . . 2.940 1.884 1.870 1.915 . 0 0 "[ . 1 . 2]" 2
982 1 34 ASN HD21 1 36 ASP QB . . 4.240 3.097 2.247 4.267 0.027 9 0 "[ . 1 . 2]" 2
983 1 34 ASN HD22 1 36 ASP QB . . 3.930 2.453 1.975 3.973 0.043 9 0 "[ . 1 . 2]" 2
984 1 35 PRO QB 1 36 ASP H . . 3.820 3.373 3.194 3.645 . 0 0 "[ . 1 . 2]" 2
985 1 35 PRO QD 1 36 ASP H . . 3.650 2.647 2.602 2.843 . 0 0 "[ . 1 . 2]" 2
986 1 36 ASP H 1 36 ASP QB . . 3.280 2.343 2.180 2.707 . 0 0 "[ . 1 . 2]" 2
987 1 36 ASP QB 1 37 CYS H . . 4.170 2.722 2.542 3.298 . 0 0 "[ . 1 . 2]" 2
988 1 37 CYS HB2 1 40 GLU QG . . 4.770 4.175 3.590 4.767 . 0 0 "[ . 1 . 2]" 2
989 1 37 CYS HB3 1 40 GLU QB . . 4.730 2.925 1.996 4.036 . 0 0 "[ . 1 . 2]" 2
990 1 37 CYS HB3 1 40 GLU QG . . 4.130 2.775 1.980 3.567 . 0 0 "[ . 1 . 2]" 2
991 1 39 ILE H 1 39 ILE QG . . 3.350 2.169 1.881 2.436 . 0 0 "[ . 1 . 2]" 2
992 1 39 ILE HB 1 39 ILE QG . . 2.580 2.430 2.388 2.476 . 0 0 "[ . 1 . 2]" 2
993 1 39 ILE QG 1 39 ILE MG . . 3.110 2.180 2.020 2.334 . 0 0 "[ . 1 . 2]" 2
994 1 39 ILE MG 1 40 GLU QB . . 5.340 4.315 4.054 4.877 . 0 0 "[ . 1 . 2]" 2
995 1 39 ILE MD 1 61 ARG QG . . 5.300 4.318 2.803 5.091 . 0 0 "[ . 1 . 2]" 2
996 1 40 GLU QB 1 41 TRP H . . 4.160 3.890 3.786 4.006 . 0 0 "[ . 1 . 2]" 2
997 1 40 GLU QB 1 41 TRP HD1 . . 3.570 3.059 2.628 3.624 0.054 10 0 "[ . 1 . 2]" 2
998 1 40 GLU QB 1 41 TRP HE1 . . 4.980 3.905 3.416 4.277 . 0 0 "[ . 1 . 2]" 2
999 1 40 GLU QG 1 41 TRP H . . 5.340 4.279 3.883 4.546 . 0 0 "[ . 1 . 2]" 2
1000 1 40 GLU QG 1 41 TRP HD1 . . 4.180 3.979 2.226 4.219 0.039 12 0 "[ . 1 . 2]" 2
1001 1 44 PHE HZ 1 52 LYS QG . . 3.910 2.152 1.952 2.377 . 0 0 "[ . 1 . 2]" 2
1002 1 49 LEU MD2 1 53 PRO QB . . 4.780 2.591 2.092 2.995 . 0 0 "[ . 1 . 2]" 2
1003 1 49 LEU MD2 1 53 PRO QG . . 3.530 2.501 2.056 2.922 . 0 0 "[ . 1 . 2]" 2
1004 1 52 LYS H 1 52 LYS QG . . 4.490 3.886 3.769 4.004 . 0 0 "[ . 1 . 2]" 2
1005 1 52 LYS HA 1 52 LYS QG . . 3.550 2.290 2.179 2.415 . 0 0 "[ . 1 . 2]" 2
1006 1 52 LYS HA 1 53 PRO QG . . 3.990 3.786 3.768 3.815 . 0 0 "[ . 1 . 2]" 2
1007 1 52 LYS HB3 1 52 LYS QG . . 2.590 2.323 2.226 2.452 . 0 0 "[ . 1 . 2]" 2
1008 1 52 LYS QG 1 53 PRO HD2 . . 3.320 2.391 2.041 2.920 . 0 0 "[ . 1 . 2]" 2
1009 1 52 LYS QG 1 53 PRO HD3 . . 4.130 3.723 3.504 4.141 0.011 16 0 "[ . 1 . 2]" 2
1010 1 53 PRO QB 1 54 ARG H . . 4.010 3.376 2.614 3.851 . 0 0 "[ . 1 . 2]" 2
1011 1 53 PRO QB 1 57 TRP QB . . 4.310 2.486 1.998 3.289 . 0 0 "[ . 1 . 2]" 2
1012 1 53 PRO QB 1 57 TRP HD1 . . 4.150 2.641 2.175 3.625 . 0 0 "[ . 1 . 2]" 2
1013 1 53 PRO QG 1 57 TRP QB . . 3.490 2.413 2.042 2.728 . 0 0 "[ . 1 . 2]" 2
1014 1 53 PRO QG 1 57 TRP HD1 . . 3.530 2.712 2.112 3.288 . 0 0 "[ . 1 . 2]" 2
1015 1 54 ARG H 1 54 ARG QB . . 3.380 2.286 2.156 2.803 . 0 0 "[ . 1 . 2]" 2
1016 1 54 ARG H 1 54 ARG QG . . 4.500 3.385 1.865 4.143 . 0 0 "[ . 1 . 2]" 2
1017 1 54 ARG QB 1 54 ARG QG . . 2.310 2.047 2.007 2.087 . 0 0 "[ . 1 . 2]" 2
1018 1 54 ARG QG 1 55 GLY H . . 5.110 3.162 1.880 4.442 . 0 0 "[ . 1 . 2]" 2
1019 1 56 LYS H 1 56 LYS QB . . 3.170 2.661 2.325 3.201 0.031 16 0 "[ . 1 . 2]" 2
1020 1 56 LYS H 1 56 LYS QG . . 3.500 2.574 1.879 3.353 . 0 0 "[ . 1 . 2]" 2
1021 1 56 LYS HA 1 56 LYS QG . . 3.500 2.800 2.242 3.344 . 0 0 "[ . 1 . 2]" 2
1022 1 56 LYS QB 1 57 TRP H . . 3.410 2.805 2.197 3.220 . 0 0 "[ . 1 . 2]" 2
1023 1 56 LYS QB 1 58 PHE QE . . 3.940 3.247 2.069 3.883 . 0 0 "[ . 1 . 2]" 2
1024 1 56 LYS QB 1 58 PHE HZ . . 4.260 3.522 3.158 4.140 . 0 0 "[ . 1 . 2]" 2
1025 1 56 LYS QG 1 57 TRP H . . 4.380 3.899 2.773 4.383 0.003 17 0 "[ . 1 . 2]" 2
1026 1 57 TRP H 1 57 TRP QB . . 3.510 2.617 2.412 2.859 . 0 0 "[ . 1 . 2]" 2
1027 1 57 TRP QB 1 57 TRP HE3 . . 3.580 2.535 2.443 2.578 . 0 0 "[ . 1 . 2]" 2
1028 1 60 PRO HA 1 63 SER QB . . 3.660 3.257 2.996 3.605 . 0 0 "[ . 1 . 2]" 2
1029 1 60 PRO QB 1 61 ARG H . . 3.890 3.760 3.669 3.841 . 0 0 "[ . 1 . 2]" 2
1030 1 61 ARG H 1 61 ARG QB . . 3.210 2.409 2.242 2.604 . 0 0 "[ . 1 . 2]" 2
1031 1 61 ARG H 1 61 ARG QG . . 3.540 2.900 2.456 3.615 0.075 18 0 "[ . 1 . 2]" 2
1032 1 61 ARG HA 1 61 ARG QG . . 3.190 2.417 2.210 2.818 . 0 0 "[ . 1 . 2]" 2
1033 1 61 ARG QB 1 61 ARG QD . . 3.220 2.335 2.120 2.646 . 0 0 "[ . 1 . 2]" 2
1034 1 61 ARG QB 1 62 CYS H . . 3.210 2.966 2.834 3.032 . 0 0 "[ . 1 . 2]" 2
1035 1 61 ARG QB 1 62 CYS HA . . 4.630 4.071 4.002 4.609 . 0 0 "[ . 1 . 2]" 2
1036 1 63 SER QB 1 64 GLN H . . 3.780 2.986 2.118 3.820 0.040 14 0 "[ . 1 . 2]" 2
1037 1 64 GLN H 1 64 GLN QB . . 3.160 2.504 2.158 2.972 . 0 0 "[ . 1 . 2]" 2
1038 1 64 GLN H 1 64 GLN QG . . 4.620 3.194 1.861 4.505 . 0 0 "[ . 1 . 2]" 2
1039 1 64 GLN QB 1 65 GLU H . . 3.950 3.610 2.130 4.017 0.067 12 0 "[ . 1 . 2]" 2
1040 1 65 GLU H 1 65 GLU QB . . 3.280 2.404 2.120 2.891 . 0 0 "[ . 1 . 2]" 2
1041 1 65 GLU H 1 65 GLU QG . . 4.450 3.692 2.039 4.267 . 0 0 "[ . 1 . 2]" 2
1042 1 65 GLU QB 1 66 SER H . . 4.420 3.510 2.459 4.051 . 0 0 "[ . 1 . 2]" 2
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