NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506233 |
1wyh   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wyh
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 27
_Distance_constraint_stats_list.Viol_count 355
_Distance_constraint_stats_list.Viol_total 151.508
_Distance_constraint_stats_list.Viol_max 0.061
_Distance_constraint_stats_list.Viol_rms 0.0154
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0140
_Distance_constraint_stats_list.Viol_average_violations_only 0.0213
_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 8 CYS 0.468 0.026 8 0 "[ . 1 . 2]"
1 11 CYS 1.447 0.047 15 0 "[ . 1 . 2]"
1 30 HIS 0.427 0.018 4 0 "[ . 1 . 2]"
1 33 CYS 1.299 0.047 15 0 "[ . 1 . 2]"
1 36 CYS 0.806 0.042 20 0 "[ . 1 . 2]"
1 39 CYS 0.897 0.032 20 0 "[ . 1 . 2]"
1 57 CYS 2.565 0.061 9 0 "[ . 1 . 2]"
1 60 CYS 1.221 0.037 14 0 "[ . 1 . 2]"
2 1 ZN 2.339 0.047 15 0 "[ . 1 . 2]"
3 1 ZN 3.681 0.061 9 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 8 CYS SG 2 1 ZN ZN . 2.330 2.370 2.376 2.370 2.383 0.013 8 0 "[ . 1 . 2]" 1
2 1 11 CYS SG 2 1 ZN ZN . 2.330 2.370 2.297 2.283 2.307 0.047 15 0 "[ . 1 . 2]" 1
3 1 30 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.321 2.315 2.329 0.015 18 0 "[ . 1 . 2]" 1
4 1 33 CYS SG 2 1 ZN ZN . 2.330 2.370 2.298 2.283 2.307 0.047 15 0 "[ . 1 . 2]" 1
5 1 8 CYS CB 2 1 ZN ZN . 3.250 3.510 3.232 3.224 3.243 0.026 8 0 "[ . 1 . 2]" 1
6 1 11 CYS CB 2 1 ZN ZN . 3.250 3.510 3.529 3.520 3.539 0.029 16 0 "[ . 1 . 2]" 1
7 1 33 CYS CB 2 1 ZN ZN . 3.250 3.510 3.454 3.330 3.510 . 18 0 "[ . 1 . 2]" 1
8 1 8 CYS SG 1 11 CYS SG . 3.200 4.000 3.590 3.387 3.715 . 0 0 "[ . 1 . 2]" 1
9 1 11 CYS SG 1 30 HIS ND1 . 3.200 4.000 3.815 3.652 3.905 . 0 0 "[ . 1 . 2]" 1
10 1 30 HIS ND1 1 33 CYS SG . 3.200 4.000 4.012 4.007 4.018 0.018 4 0 "[ . 1 . 2]" 1
11 1 8 CYS SG 1 33 CYS SG . 3.200 4.000 3.682 3.556 3.912 . 0 0 "[ . 1 . 2]" 1
12 1 8 CYS SG 1 30 HIS ND1 . 3.200 4.000 3.254 3.201 3.349 . 0 0 "[ . 1 . 2]" 1
13 1 11 CYS SG 1 33 CYS SG . 3.200 4.000 4.021 4.012 4.027 0.027 15 0 "[ . 1 . 2]" 1
14 1 36 CYS SG 3 1 ZN ZN . 2.330 2.370 2.376 2.370 2.385 0.015 2 0 "[ . 1 . 2]" 1
15 1 39 CYS SG 3 1 ZN ZN . 2.330 2.370 2.310 2.298 2.324 0.032 20 0 "[ . 1 . 2]" 1
16 1 57 CYS SG 3 1 ZN ZN . 2.330 2.370 2.276 2.269 2.284 0.061 9 0 "[ . 1 . 2]" 1
17 1 60 CYS SG 3 1 ZN ZN . 2.330 2.370 2.327 2.318 2.346 0.012 17 0 "[ . 1 . 2]" 1
18 1 36 CYS CB 3 1 ZN ZN . 3.250 3.510 3.216 3.208 3.224 0.042 20 0 "[ . 1 . 2]" 1
19 1 39 CYS CB 3 1 ZN ZN . 3.250 3.510 3.518 3.510 3.525 0.015 17 0 "[ . 1 . 2]" 1
20 1 57 CYS CB 3 1 ZN ZN . 3.250 3.510 3.556 3.551 3.561 0.051 12 0 "[ . 1 . 2]" 1
21 1 60 CYS CB 3 1 ZN ZN . 3.250 3.510 3.239 3.234 3.244 0.016 3 0 "[ . 1 . 2]" 1
22 1 36 CYS SG 1 39 CYS SG . 3.200 4.000 3.915 3.866 3.949 . 0 0 "[ . 1 . 2]" 1
23 1 39 CYS SG 1 57 CYS SG . 3.200 4.000 3.925 3.881 3.985 . 0 0 "[ . 1 . 2]" 1
24 1 57 CYS SG 1 60 CYS SG . 3.200 4.000 3.172 3.163 3.179 0.037 14 0 "[ . 1 . 2]" 1
25 1 36 CYS SG 1 60 CYS SG . 3.200 4.000 3.517 3.467 3.579 . 0 0 "[ . 1 . 2]" 1
26 1 36 CYS SG 1 57 CYS SG . 3.200 4.000 3.980 3.960 3.997 . 0 0 "[ . 1 . 2]" 1
27 1 39 CYS SG 1 60 CYS SG . 3.200 4.000 4.017 4.008 4.025 0.025 20 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 1629
_Distance_constraint_stats_list.Viol_count 1738
_Distance_constraint_stats_list.Viol_total 932.829
_Distance_constraint_stats_list.Viol_max 0.325
_Distance_constraint_stats_list.Viol_rms 0.0087
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0268
_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 0.726 0.325 16 0 "[ . 1 . 2]"
1 7 GLY 1.179 0.325 16 0 "[ . 1 . 2]"
1 8 CYS 3.502 0.128 9 0 "[ . 1 . 2]"
1 9 SER 0.648 0.062 6 0 "[ . 1 . 2]"
1 10 ALA 0.884 0.062 6 0 "[ . 1 . 2]"
1 11 CYS 0.313 0.036 12 0 "[ . 1 . 2]"
1 12 GLY 1.022 0.059 10 0 "[ . 1 . 2]"
1 13 GLU 1.123 0.045 16 0 "[ . 1 . 2]"
1 14 THR 0.540 0.069 19 0 "[ . 1 . 2]"
1 15 VAL 0.726 0.097 7 0 "[ . 1 . 2]"
1 16 MET 1.225 0.163 11 0 "[ . 1 . 2]"
1 17 PRO 0.486 0.163 11 0 "[ . 1 . 2]"
1 19 SER 0.069 0.022 8 0 "[ . 1 . 2]"
1 20 ARG 0.699 0.187 15 0 "[ . 1 . 2]"
1 21 LYS 2.647 0.106 15 0 "[ . 1 . 2]"
1 22 LEU 5.031 0.106 15 0 "[ . 1 . 2]"
1 23 GLU 0.441 0.030 7 0 "[ . 1 . 2]"
1 24 TYR 0.678 0.060 13 0 "[ . 1 . 2]"
1 25 GLY 0.227 0.110 13 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 0.940 0.110 13 0 "[ . 1 . 2]"
1 28 THR 1.041 0.051 17 0 "[ . 1 . 2]"
1 29 TRP 6.059 0.128 9 0 "[ . 1 . 2]"
1 30 HIS 0.231 0.047 8 0 "[ . 1 . 2]"
1 31 GLU 1.405 0.061 17 0 "[ . 1 . 2]"
1 32 HIS 0.025 0.018 14 0 "[ . 1 . 2]"
1 33 CYS 2.356 0.101 17 0 "[ . 1 . 2]"
1 34 PHE 2.295 0.069 16 0 "[ . 1 . 2]"
1 35 LEU 1.973 0.044 14 0 "[ . 1 . 2]"
1 36 CYS 3.515 0.061 9 0 "[ . 1 . 2]"
1 37 SER 0.580 0.050 6 0 "[ . 1 . 2]"
1 38 GLY 0.833 0.055 20 0 "[ . 1 . 2]"
1 39 CYS 0.635 0.063 20 0 "[ . 1 . 2]"
1 40 GLU 1.304 0.052 20 0 "[ . 1 . 2]"
1 41 GLN 0.304 0.027 12 0 "[ . 1 . 2]"
1 42 PRO 0.191 0.024 9 0 "[ . 1 . 2]"
1 43 LEU 3.061 0.124 9 0 "[ . 1 . 2]"
1 44 GLY 0.482 0.033 14 0 "[ . 1 . 2]"
1 45 SER 0.090 0.033 14 0 "[ . 1 . 2]"
1 46 ARG 1.527 0.124 9 0 "[ . 1 . 2]"
1 47 SER 0.964 0.061 14 0 "[ . 1 . 2]"
1 48 PHE 3.597 0.104 5 0 "[ . 1 . 2]"
1 49 VAL 7.095 0.130 10 0 "[ . 1 . 2]"
1 50 PRO 0.237 0.037 11 0 "[ . 1 . 2]"
1 51 ASP 0.222 0.028 19 0 "[ . 1 . 2]"
1 52 LYS 0.122 0.025 17 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ALA 0.156 0.025 17 0 "[ . 1 . 2]"
1 55 HIS 0.824 0.068 10 0 "[ . 1 . 2]"
1 56 TYR 7.759 0.104 5 0 "[ . 1 . 2]"
1 57 CYS 3.237 0.080 18 0 "[ . 1 . 2]"
1 58 VAL 9.657 0.130 10 0 "[ . 1 . 2]"
1 59 PRO 0.433 0.040 3 0 "[ . 1 . 2]"
1 60 CYS 1.024 0.055 20 0 "[ . 1 . 2]"
1 61 TYR 2.826 0.081 12 0 "[ . 1 . 2]"
1 62 GLU 1.388 0.079 12 0 "[ . 1 . 2]"
1 63 ASN 0.145 0.046 7 0 "[ . 1 . 2]"
1 64 LYS 0.321 0.024 18 0 "[ . 1 . 2]"
1 65 PHE 0.231 0.016 7 0 "[ . 1 . 2]"
1 66 ALA 0.011 0.010 17 0 "[ . 1 . 2]"
1 67 SER 0.001 0.001 6 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 SER H 1 28 THR H . . 3.830 3.804 3.701 3.844 0.014 1 0 "[ . 1 . 2]" 2
2 1 9 SER H 1 29 TRP HA . . 3.290 2.898 2.777 3.027 . 0 0 "[ . 1 . 2]" 2
3 1 8 CYS HA 1 9 SER H . . 2.420 2.198 2.168 2.241 . 0 0 "[ . 1 . 2]" 2
4 1 8 CYS HB3 1 9 SER H . . 4.200 3.960 3.829 4.064 . 0 0 "[ . 1 . 2]" 2
5 1 9 SER H 1 9 SER HB2 . . 3.200 2.764 2.508 3.017 . 0 0 "[ . 1 . 2]" 2
6 1 9 SER H 1 9 SER HB3 . . 3.200 2.529 2.325 2.764 . 0 0 "[ . 1 . 2]" 2
7 1 9 SER H 1 10 ALA MB . . 4.400 3.909 3.849 3.949 . 0 0 "[ . 1 . 2]" 2
8 1 34 PHE QD 1 35 LEU H . . 4.110 4.122 4.100 4.148 0.038 3 0 "[ . 1 . 2]" 2
9 1 34 PHE HA 1 35 LEU H . . 2.520 2.202 2.192 2.226 . 0 0 "[ . 1 . 2]" 2
10 1 35 LEU H 1 35 LEU HB2 . . 3.080 2.723 2.665 2.795 . 0 0 "[ . 1 . 2]" 2
11 1 35 LEU H 1 35 LEU HG . . 3.040 2.658 2.544 2.730 . 0 0 "[ . 1 . 2]" 2
12 1 56 TYR QD 1 57 CYS H . . 3.990 3.912 3.891 3.942 . 0 0 "[ . 1 . 2]" 2
13 1 56 TYR HA 1 57 CYS H . . 2.680 2.161 2.154 2.167 . 0 0 "[ . 1 . 2]" 2
14 1 57 CYS H 1 60 CYS HB2 . . 3.000 2.005 1.976 2.042 . 0 0 "[ . 1 . 2]" 2
15 1 57 CYS H 1 57 CYS HB3 . . 3.140 2.729 2.725 2.733 . 0 0 "[ . 1 . 2]" 2
16 1 57 CYS H 1 60 CYS HB3 . . 3.560 3.154 3.110 3.208 . 0 0 "[ . 1 . 2]" 2
17 1 36 CYS HB2 1 57 CYS H . . 3.310 3.316 3.299 3.330 0.020 2 0 "[ . 1 . 2]" 2
18 1 43 LEU MD1 1 57 CYS H . . 4.020 3.283 3.131 3.440 . 0 0 "[ . 1 . 2]" 2
19 1 31 GLU QG 1 44 GLY H . . 4.630 4.406 4.181 4.643 0.013 16 0 "[ . 1 . 2]" 2
20 1 44 GLY H 1 45 SER H . . 4.070 2.891 2.644 3.216 . 0 0 "[ . 1 . 2]" 2
21 1 34 PHE QD 1 44 GLY H . . 4.160 3.382 3.228 3.623 . 0 0 "[ . 1 . 2]" 2
22 1 42 PRO HA 1 44 GLY H . . 3.850 3.122 3.085 3.177 . 0 0 "[ . 1 . 2]" 2
23 1 44 GLY H 1 44 GLY HA3 . . 2.820 2.306 2.294 2.331 . 0 0 "[ . 1 . 2]" 2
24 1 34 PHE HB3 1 44 GLY H . . 4.460 3.660 3.571 3.824 . 0 0 "[ . 1 . 2]" 2
25 1 42 PRO HB2 1 44 GLY H . . 4.190 3.126 3.061 3.186 . 0 0 "[ . 1 . 2]" 2
26 1 42 PRO HB3 1 44 GLY H . . 4.340 4.175 4.141 4.207 . 0 0 "[ . 1 . 2]" 2
27 1 43 LEU HG 1 44 GLY H . . 4.650 4.540 4.451 4.640 . 0 0 "[ . 1 . 2]" 2
28 1 43 LEU HB2 1 44 GLY H . . 3.810 3.640 3.574 3.791 . 0 0 "[ . 1 . 2]" 2
29 1 22 LEU MD1 1 44 GLY H . . 3.830 3.628 3.533 3.725 . 0 0 "[ . 1 . 2]" 2
30 1 22 LEU H 1 31 GLU H . . 4.300 4.299 4.222 4.332 0.032 6 0 "[ . 1 . 2]" 2
31 1 31 GLU H 1 32 HIS H . . 4.030 2.760 2.741 2.778 . 0 0 "[ . 1 . 2]" 2
32 1 30 HIS HD2 1 31 GLU H . . 4.340 3.660 3.550 3.776 . 0 0 "[ . 1 . 2]" 2
33 1 21 LYS HA 1 31 GLU H . . 3.060 2.464 2.172 2.672 . 0 0 "[ . 1 . 2]" 2
34 1 30 HIS HA 1 31 GLU H . . 2.680 2.245 2.231 2.261 . 0 0 "[ . 1 . 2]" 2
35 1 30 HIS HB2 1 31 GLU H . . 4.360 4.111 4.065 4.158 . 0 0 "[ . 1 . 2]" 2
36 1 30 HIS HB3 1 31 GLU H . . 3.400 2.908 2.847 2.963 . 0 0 "[ . 1 . 2]" 2
37 1 31 GLU H 1 31 GLU HB3 . . 3.010 2.884 2.808 3.016 0.006 11 0 "[ . 1 . 2]" 2
38 1 31 GLU H 1 31 GLU HB2 . . 2.820 2.221 2.138 2.273 . 0 0 "[ . 1 . 2]" 2
39 1 21 LYS QB 1 31 GLU H . . 4.060 3.929 3.690 4.054 . 0 0 "[ . 1 . 2]" 2
40 1 43 LEU H 1 44 GLY H . . 2.990 2.639 2.569 2.700 . 0 0 "[ . 1 . 2]" 2
41 1 34 PHE QD 1 43 LEU H . . 4.060 3.581 3.484 3.678 . 0 0 "[ . 1 . 2]" 2
42 1 35 LEU HA 1 43 LEU H . . 2.670 2.334 2.277 2.377 . 0 0 "[ . 1 . 2]" 2
43 1 42 PRO HA 1 43 LEU H . . 2.830 2.278 2.253 2.309 . 0 0 "[ . 1 . 2]" 2
44 1 43 LEU H 1 43 LEU HG . . 3.010 2.119 2.004 2.237 . 0 0 "[ . 1 . 2]" 2
45 1 43 LEU H 1 43 LEU HB2 . . 2.870 2.627 2.564 2.670 . 0 0 "[ . 1 . 2]" 2
46 1 35 LEU HB3 1 43 LEU H . . 4.560 4.457 4.387 4.539 . 0 0 "[ . 1 . 2]" 2
47 1 43 LEU H 1 43 LEU MD2 . . 3.320 3.091 2.997 3.172 . 0 0 "[ . 1 . 2]" 2
48 1 43 LEU H 1 43 LEU MD1 . . 3.750 3.634 3.515 3.739 . 0 0 "[ . 1 . 2]" 2
49 1 29 TRP H 1 30 HIS H . . 4.600 4.450 4.418 4.464 . 0 0 "[ . 1 . 2]" 2
50 1 29 TRP H 1 29 TRP HE3 . . 2.930 2.611 2.469 2.716 . 0 0 "[ . 1 . 2]" 2
51 1 29 TRP H 1 29 TRP HZ3 . . 4.810 4.684 4.540 4.790 . 0 0 "[ . 1 . 2]" 2
52 1 23 GLU HA 1 29 TRP H . . 3.720 3.346 3.242 3.473 . 0 0 "[ . 1 . 2]" 2
53 1 28 THR HA 1 29 TRP H . . 2.580 2.155 2.148 2.167 . 0 0 "[ . 1 . 2]" 2
54 1 28 THR HB 1 29 TRP H . . 4.170 4.181 4.137 4.220 0.050 12 0 "[ . 1 . 2]" 2
55 1 29 TRP H 1 29 TRP HB2 . . 3.070 2.654 2.636 2.676 . 0 0 "[ . 1 . 2]" 2
56 1 23 GLU HG2 1 29 TRP H . . 4.340 3.857 3.635 4.054 . 0 0 "[ . 1 . 2]" 2
57 1 22 LEU HB2 1 29 TRP H . . 3.830 3.304 3.180 3.389 . 0 0 "[ . 1 . 2]" 2
58 1 28 THR MG 1 29 TRP H . . 2.920 2.417 2.236 2.643 . 0 0 "[ . 1 . 2]" 2
59 1 52 LYS H 1 52 LYS QB . . 3.840 2.828 2.242 3.285 . 0 0 "[ . 1 . 2]" 2
60 1 52 LYS H 1 52 LYS HG2 . . 4.080 3.464 2.632 4.091 0.011 17 0 "[ . 1 . 2]" 2
61 1 52 LYS H 1 52 LYS HG3 . . 4.080 2.922 2.192 4.084 0.004 8 0 "[ . 1 . 2]" 2
62 1 20 ARG HA 1 21 LYS H . . 2.400 2.152 2.139 2.236 . 0 0 "[ . 1 . 2]" 2
63 1 20 ARG QB 1 21 LYS H . . 3.590 3.425 3.101 3.598 0.008 6 0 "[ . 1 . 2]" 2
64 1 21 LYS H 1 21 LYS QB . . 3.290 3.129 3.027 3.250 . 0 0 "[ . 1 . 2]" 2
65 1 21 LYS H 1 21 LYS HG2 . . 3.020 2.764 2.588 3.028 0.008 2 0 "[ . 1 . 2]" 2
66 1 21 LYS H 1 21 LYS HG3 . . 3.450 2.982 2.436 3.415 . 0 0 "[ . 1 . 2]" 2
67 1 21 LYS H 1 21 LYS QD . . 4.710 4.472 4.369 4.623 . 0 0 "[ . 1 . 2]" 2
68 1 8 CYS H 1 9 SER H . . 4.850 4.600 4.572 4.626 . 0 0 "[ . 1 . 2]" 2
69 1 8 CYS H 1 15 VAL H . . 3.760 2.637 2.499 2.863 . 0 0 "[ . 1 . 2]" 2
70 1 8 CYS H 1 13 GLU H . . 4.190 4.125 3.577 4.227 0.037 7 0 "[ . 1 . 2]" 2
71 1 8 CYS H 1 30 HIS HE1 . . 3.860 3.724 3.608 3.878 0.018 17 0 "[ . 1 . 2]" 2
72 1 7 GLY HA2 1 8 CYS H . . 2.550 2.320 2.251 2.380 . 0 0 "[ . 1 . 2]" 2
73 1 8 CYS H 1 8 CYS HB3 . . 2.660 2.619 2.564 2.660 0.000 7 0 "[ . 1 . 2]" 2
74 1 8 CYS H 1 8 CYS HB2 . . 2.750 2.450 2.400 2.528 . 0 0 "[ . 1 . 2]" 2
75 1 53 GLY H 1 54 ALA H . . 3.330 2.891 2.854 2.935 . 0 0 "[ . 1 . 2]" 2
76 1 51 ASP H 1 54 ALA H . . 3.830 3.386 3.268 3.489 . 0 0 "[ . 1 . 2]" 2
77 1 54 ALA H 1 56 TYR QE . . 4.850 4.689 4.458 4.846 . 0 0 "[ . 1 . 2]" 2
78 1 53 GLY HA2 1 54 ALA H . . 3.560 3.227 2.960 3.446 . 0 0 "[ . 1 . 2]" 2
79 1 52 LYS HA 1 54 ALA H . . 4.310 4.030 3.891 4.140 . 0 0 "[ . 1 . 2]" 2
80 1 53 GLY HA3 1 54 ALA H . . 3.560 3.255 3.049 3.491 . 0 0 "[ . 1 . 2]" 2
81 1 51 ASP HB3 1 54 ALA H . . 4.320 3.873 3.450 4.243 . 0 0 "[ . 1 . 2]" 2
82 1 52 LYS QB 1 54 ALA H . . 4.210 3.684 3.187 4.235 0.025 17 0 "[ . 1 . 2]" 2
83 1 54 ALA H 1 54 ALA MB . . 2.670 2.404 2.086 2.663 . 0 0 "[ . 1 . 2]" 2
84 1 22 LEU H 1 29 TRP H . . 3.230 3.164 3.046 3.248 0.018 2 0 "[ . 1 . 2]" 2
85 1 22 LEU H 1 23 GLU H . . 4.540 4.420 4.398 4.452 . 0 0 "[ . 1 . 2]" 2
86 1 21 LYS HA 1 22 LEU H . . 2.700 2.558 2.496 2.608 . 0 0 "[ . 1 . 2]" 2
87 1 22 LEU H 1 30 HIS HA . . 4.130 3.582 3.468 3.670 . 0 0 "[ . 1 . 2]" 2
88 1 22 LEU H 1 31 GLU HA . . 4.900 4.849 4.756 4.900 0.000 10 0 "[ . 1 . 2]" 2
89 1 22 LEU H 1 29 TRP HB3 . . 5.500 5.359 5.269 5.455 . 0 0 "[ . 1 . 2]" 2
90 1 22 LEU H 1 29 TRP HB2 . . 4.540 4.446 4.361 4.522 . 0 0 "[ . 1 . 2]" 2
91 1 22 LEU H 1 31 GLU HB2 . . 5.500 5.224 5.091 5.291 . 0 0 "[ . 1 . 2]" 2
92 1 21 LYS QB 1 22 LEU H . . 2.680 2.148 2.056 2.298 . 0 0 "[ . 1 . 2]" 2
93 1 21 LYS QD 1 22 LEU H . . 4.110 3.627 3.299 4.003 . 0 0 "[ . 1 . 2]" 2
94 1 22 LEU H 1 22 LEU HB2 . . 2.870 2.577 2.481 2.631 . 0 0 "[ . 1 . 2]" 2
95 1 22 LEU H 1 28 THR MG . . 3.780 2.986 2.740 3.138 . 0 0 "[ . 1 . 2]" 2
96 1 22 LEU H 1 22 LEU MD2 . . 4.150 4.055 4.022 4.079 . 0 0 "[ . 1 . 2]" 2
97 1 65 PHE HA 1 66 ALA H . . 3.300 3.092 3.063 3.158 . 0 0 "[ . 1 . 2]" 2
98 1 65 PHE HB3 1 66 ALA H . . 4.450 4.279 4.229 4.304 . 0 0 "[ . 1 . 2]" 2
99 1 65 PHE HB2 1 66 ALA H . . 3.980 3.909 3.800 3.955 . 0 0 "[ . 1 . 2]" 2
100 1 66 ALA H 1 66 ALA MB . . 2.860 2.356 2.165 2.870 0.010 17 0 "[ . 1 . 2]" 2
101 1 34 PHE H 1 34 PHE QD . . 4.180 4.112 4.091 4.140 . 0 0 "[ . 1 . 2]" 2
102 1 32 HIS HA 1 34 PHE H . . 4.610 4.518 4.461 4.628 0.018 14 0 "[ . 1 . 2]" 2
103 1 33 CYS HA 1 34 PHE H . . 3.560 3.524 3.516 3.536 . 0 0 "[ . 1 . 2]" 2
104 1 31 GLU HA 1 34 PHE H . . 4.100 4.006 3.961 4.053 . 0 0 "[ . 1 . 2]" 2
105 1 33 CYS HB3 1 34 PHE H . . 3.670 3.475 3.380 3.572 . 0 0 "[ . 1 . 2]" 2
106 1 29 TRP HB3 1 34 PHE H . . 3.860 2.948 2.826 3.070 . 0 0 "[ . 1 . 2]" 2
107 1 33 CYS HB2 1 34 PHE H . . 3.570 2.792 2.740 2.838 . 0 0 "[ . 1 . 2]" 2
108 1 34 PHE H 1 34 PHE HB3 . . 2.840 2.710 2.676 2.741 . 0 0 "[ . 1 . 2]" 2
109 1 29 TRP HB2 1 34 PHE H . . 4.300 3.834 3.743 3.899 . 0 0 "[ . 1 . 2]" 2
110 1 34 PHE H 1 34 PHE HB2 . . 2.880 2.373 2.347 2.410 . 0 0 "[ . 1 . 2]" 2
111 1 34 PHE H 1 35 LEU HG . . 4.260 4.217 4.159 4.261 0.001 7 0 "[ . 1 . 2]" 2
112 1 22 LEU MD1 1 34 PHE H . . 4.810 4.229 4.165 4.315 . 0 0 "[ . 1 . 2]" 2
113 1 19 SER HA 1 20 ARG H . . 3.250 2.251 2.145 2.468 . 0 0 "[ . 1 . 2]" 2
114 1 19 SER QB 1 20 ARG H . . 3.750 3.097 2.272 3.604 . 0 0 "[ . 1 . 2]" 2
115 1 20 ARG H 1 20 ARG QB . . 3.300 2.302 2.174 2.636 . 0 0 "[ . 1 . 2]" 2
116 1 10 ALA H 1 29 TRP HD1 . . 3.270 2.789 2.726 2.883 . 0 0 "[ . 1 . 2]" 2
117 1 10 ALA H 1 29 TRP HA . . 4.070 3.709 3.596 3.832 . 0 0 "[ . 1 . 2]" 2
118 1 8 CYS HA 1 10 ALA H . . 3.760 3.669 3.562 3.776 0.016 8 0 "[ . 1 . 2]" 2
119 1 8 CYS HB3 1 10 ALA H . . 3.790 3.654 3.578 3.770 . 0 0 "[ . 1 . 2]" 2
120 1 8 CYS HB2 1 10 ALA H . . 4.510 4.419 4.343 4.486 . 0 0 "[ . 1 . 2]" 2
121 1 10 ALA H 1 10 ALA MB . . 2.650 2.276 2.203 2.303 . 0 0 "[ . 1 . 2]" 2
122 1 61 TYR H 1 63 ASN H . . 4.160 3.408 3.349 3.454 . 0 0 "[ . 1 . 2]" 2
123 1 56 TYR QD 1 61 TYR H . . 5.310 5.206 5.155 5.238 . 0 0 "[ . 1 . 2]" 2
124 1 61 TYR H 1 61 TYR QD . . 4.450 4.231 4.200 4.246 . 0 0 "[ . 1 . 2]" 2
125 1 58 VAL HA 1 61 TYR H . . 4.090 4.052 4.030 4.065 . 0 0 "[ . 1 . 2]" 2
126 1 60 CYS HB2 1 61 TYR H . . 3.460 3.237 3.209 3.276 . 0 0 "[ . 1 . 2]" 2
127 1 61 TYR H 1 61 TYR HB3 . . 2.880 2.473 2.442 2.504 . 0 0 "[ . 1 . 2]" 2
128 1 61 TYR H 1 61 TYR HB2 . . 2.940 2.819 2.780 2.864 . 0 0 "[ . 1 . 2]" 2
129 1 56 TYR HB2 1 61 TYR H . . 4.240 4.094 3.996 4.149 . 0 0 "[ . 1 . 2]" 2
130 1 49 VAL MG2 1 61 TYR H . . 4.360 4.058 3.999 4.165 . 0 0 "[ . 1 . 2]" 2
131 1 35 LEU HA 1 36 CYS H . . 2.580 2.564 2.541 2.586 0.006 3 0 "[ . 1 . 2]" 2
132 1 36 CYS H 1 40 GLU HA . . 3.870 2.880 2.787 2.954 . 0 0 "[ . 1 . 2]" 2
133 1 36 CYS H 1 36 CYS HB3 . . 2.810 2.379 2.360 2.393 . 0 0 "[ . 1 . 2]" 2
134 1 36 CYS H 1 36 CYS HB2 . . 2.860 2.877 2.850 2.896 0.036 1 0 "[ . 1 . 2]" 2
135 1 35 LEU HB2 1 36 CYS H . . 3.680 3.113 2.989 3.186 . 0 0 "[ . 1 . 2]" 2
136 1 36 CYS H 1 43 LEU HG . . 3.310 3.118 2.998 3.200 . 0 0 "[ . 1 . 2]" 2
137 1 35 LEU HB3 1 36 CYS H . . 3.190 2.178 2.130 2.216 . 0 0 "[ . 1 . 2]" 2
138 1 36 CYS H 1 43 LEU MD1 . . 3.920 3.681 3.579 3.850 . 0 0 "[ . 1 . 2]" 2
139 1 36 CYS H 1 41 GLN QB . . 4.250 3.756 3.675 3.805 . 0 0 "[ . 1 . 2]" 2
140 1 48 PHE QD 1 49 VAL H . . 3.750 2.588 2.518 2.641 . 0 0 "[ . 1 . 2]" 2
141 1 48 PHE HB3 1 49 VAL H . . 3.700 3.606 3.583 3.628 . 0 0 "[ . 1 . 2]" 2
142 1 48 PHE HB2 1 49 VAL H . . 3.130 2.085 2.057 2.114 . 0 0 "[ . 1 . 2]" 2
143 1 49 VAL H 1 49 VAL HB . . 3.250 2.948 2.883 3.007 . 0 0 "[ . 1 . 2]" 2
144 1 24 TYR H 1 29 TRP HE3 . . 3.880 3.200 3.095 3.326 . 0 0 "[ . 1 . 2]" 2
145 1 24 TYR H 1 24 TYR QD . . 3.760 3.426 3.367 3.505 . 0 0 "[ . 1 . 2]" 2
146 1 24 TYR H 1 29 TRP HZ3 . . 2.980 1.922 1.885 2.150 . 0 0 "[ . 1 . 2]" 2
147 1 23 GLU HA 1 24 TYR H . . 2.400 2.140 2.139 2.141 . 0 0 "[ . 1 . 2]" 2
148 1 24 TYR H 1 28 THR HA . . 3.720 3.595 3.493 3.761 0.041 11 0 "[ . 1 . 2]" 2
149 1 24 TYR H 1 24 TYR HB2 . . 3.370 2.594 2.580 2.608 . 0 0 "[ . 1 . 2]" 2
150 1 24 TYR H 1 24 TYR HB3 . . 3.730 3.665 3.648 3.679 . 0 0 "[ . 1 . 2]" 2
151 1 23 GLU HG2 1 24 TYR H . . 4.730 4.555 4.223 4.727 . 0 0 "[ . 1 . 2]" 2
152 1 23 GLU HB3 1 24 TYR H . . 3.760 3.555 3.531 3.580 . 0 0 "[ . 1 . 2]" 2
153 1 23 GLU HB2 1 24 TYR H . . 4.480 4.293 4.202 4.426 . 0 0 "[ . 1 . 2]" 2
154 1 22 LEU HA 1 23 GLU H . . 2.500 2.291 2.270 2.321 . 0 0 "[ . 1 . 2]" 2
155 1 23 GLU H 1 23 GLU HG2 . . 4.220 3.969 3.677 4.121 . 0 0 "[ . 1 . 2]" 2
156 1 23 GLU H 1 23 GLU HB3 . . 3.970 3.933 3.846 3.961 . 0 0 "[ . 1 . 2]" 2
157 1 23 GLU H 1 23 GLU HB2 . . 3.070 2.930 2.809 3.021 . 0 0 "[ . 1 . 2]" 2
158 1 22 LEU HB3 1 23 GLU H . . 3.390 2.815 2.731 2.880 . 0 0 "[ . 1 . 2]" 2
159 1 22 LEU MD2 1 23 GLU H . . 3.580 2.451 2.373 2.489 . 0 0 "[ . 1 . 2]" 2
160 1 13 GLU H 1 30 HIS HE1 . . 4.140 3.917 3.646 4.053 . 0 0 "[ . 1 . 2]" 2
161 1 11 CYS HA 1 13 GLU H . . 4.690 4.476 4.406 4.643 . 0 0 "[ . 1 . 2]" 2
162 1 8 CYS HB3 1 13 GLU H . . 3.110 2.661 2.104 2.808 . 0 0 "[ . 1 . 2]" 2
163 1 13 GLU H 1 13 GLU HG2 . . 2.850 2.564 2.498 2.762 . 0 0 "[ . 1 . 2]" 2
164 1 13 GLU H 1 13 GLU HB2 . . 2.810 2.352 2.308 2.376 . 0 0 "[ . 1 . 2]" 2
165 1 49 VAL H 1 56 TYR H . . 3.590 3.204 3.069 3.331 . 0 0 "[ . 1 . 2]" 2
166 1 56 TYR H 1 56 TYR QD . . 3.390 3.162 3.081 3.215 . 0 0 "[ . 1 . 2]" 2
167 1 48 PHE QD 1 56 TYR H . . 4.160 3.349 3.242 3.470 . 0 0 "[ . 1 . 2]" 2
168 1 56 TYR H 1 61 TYR QD . . 4.740 4.503 4.227 4.625 . 0 0 "[ . 1 . 2]" 2
169 1 50 PRO HA 1 56 TYR H . . 3.980 3.685 3.434 3.915 . 0 0 "[ . 1 . 2]" 2
170 1 55 HIS HA 1 56 TYR H . . 2.900 2.154 2.153 2.157 . 0 0 "[ . 1 . 2]" 2
171 1 56 TYR H 1 56 TYR HB3 . . 3.850 3.728 3.717 3.743 . 0 0 "[ . 1 . 2]" 2
172 1 56 TYR H 1 61 TYR HB2 . . 4.380 4.250 4.132 4.335 . 0 0 "[ . 1 . 2]" 2
173 1 56 TYR H 1 56 TYR HB2 . . 3.110 2.567 2.548 2.591 . 0 0 "[ . 1 . 2]" 2
174 1 48 PHE HB2 1 56 TYR H . . 4.170 3.791 3.680 3.873 . 0 0 "[ . 1 . 2]" 2
175 1 55 HIS HB3 1 56 TYR H . . 3.790 3.726 3.700 3.751 . 0 0 "[ . 1 . 2]" 2
176 1 55 HIS HB2 1 56 TYR H . . 4.430 4.272 4.218 4.337 . 0 0 "[ . 1 . 2]" 2
177 1 49 VAL HB 1 56 TYR H . . 4.090 4.076 3.973 4.169 0.079 9 0 "[ . 1 . 2]" 2
178 1 51 ASP H 1 55 HIS HA . . 4.380 3.241 2.850 3.594 . 0 0 "[ . 1 . 2]" 2
179 1 38 GLY H 1 39 CYS H . . 2.820 2.132 2.077 2.178 . 0 0 "[ . 1 . 2]" 2
180 1 39 CYS H 1 41 GLN H . . 3.870 3.502 3.430 3.549 . 0 0 "[ . 1 . 2]" 2
181 1 39 CYS H 1 40 GLU H . . 2.650 2.045 1.998 2.096 . 0 0 "[ . 1 . 2]" 2
182 1 39 CYS H 1 56 TYR QD . . 4.860 4.606 4.577 4.634 . 0 0 "[ . 1 . 2]" 2
183 1 38 GLY HA3 1 39 CYS H . . 2.930 2.687 2.657 2.721 . 0 0 "[ . 1 . 2]" 2
184 1 36 CYS HB3 1 39 CYS H . . 3.130 2.753 2.716 2.792 . 0 0 "[ . 1 . 2]" 2
185 1 39 CYS H 1 60 CYS HB3 . . 4.900 4.852 4.805 4.894 . 0 0 "[ . 1 . 2]" 2
186 1 39 CYS H 1 39 CYS HB3 . . 3.210 3.085 3.060 3.107 . 0 0 "[ . 1 . 2]" 2
187 1 39 CYS H 1 41 GLN QB . . 4.740 4.514 4.421 4.660 . 0 0 "[ . 1 . 2]" 2
188 1 48 PHE HA 1 58 VAL H . . 3.900 2.612 2.417 2.794 . 0 0 "[ . 1 . 2]" 2
189 1 58 VAL H 1 59 PRO HD2 . . 3.130 2.341 2.270 2.397 . 0 0 "[ . 1 . 2]" 2
190 1 58 VAL H 1 58 VAL HA . . 2.810 2.678 2.655 2.706 . 0 0 "[ . 1 . 2]" 2
191 1 58 VAL H 1 58 VAL HB . . 2.750 2.385 2.343 2.418 . 0 0 "[ . 1 . 2]" 2
192 1 46 ARG QB 1 58 VAL H . . 5.500 5.275 4.998 5.415 . 0 0 "[ . 1 . 2]" 2
193 1 58 VAL H 1 59 PRO HG3 . . 5.500 4.934 4.857 4.999 . 0 0 "[ . 1 . 2]" 2
194 1 58 VAL H 1 58 VAL MG2 . . 2.800 2.618 2.579 2.647 . 0 0 "[ . 1 . 2]" 2
195 1 57 CYS HB2 1 58 VAL H . . 3.050 2.309 2.190 2.428 . 0 0 "[ . 1 . 2]" 2
196 1 45 SER H 1 46 ARG H . . 3.410 2.152 1.822 2.715 . 0 0 "[ . 1 . 2]" 2
197 1 44 GLY HA2 1 46 ARG H . . 5.060 4.762 4.312 5.009 . 0 0 "[ . 1 . 2]" 2
198 1 46 ARG H 1 46 ARG QB . . 3.090 2.783 2.673 2.974 . 0 0 "[ . 1 . 2]" 2
199 1 46 ARG H 1 46 ARG HG2 . . 3.430 2.454 1.884 3.347 . 0 0 "[ . 1 . 2]" 2
200 1 46 ARG H 1 46 ARG HG3 . . 3.430 2.725 1.978 2.965 . 0 0 "[ . 1 . 2]" 2
201 1 26 GLY H 1 27 GLN H . . 3.540 2.516 1.755 2.936 . 0 0 "[ . 1 . 2]" 2
202 1 24 TYR H 1 27 GLN H . . 3.880 3.743 3.506 3.842 . 0 0 "[ . 1 . 2]" 2
203 1 27 GLN H 1 28 THR H . . 4.670 4.530 4.428 4.595 . 0 0 "[ . 1 . 2]" 2
204 1 27 GLN H 1 29 TRP HZ3 . . 4.130 4.004 3.685 4.155 0.025 15 0 "[ . 1 . 2]" 2
205 1 23 GLU HA 1 27 GLN H . . 5.080 5.000 4.723 5.108 0.028 9 0 "[ . 1 . 2]" 2
206 1 27 GLN H 1 27 GLN HB2 . . 2.880 2.274 2.166 2.627 . 0 0 "[ . 1 . 2]" 2
207 1 27 GLN H 1 27 GLN HB3 . . 3.780 3.539 3.476 3.745 . 0 0 "[ . 1 . 2]" 2
208 1 29 TRP HD1 1 30 HIS H . . 4.410 4.219 4.136 4.376 . 0 0 "[ . 1 . 2]" 2
209 1 29 TRP HA 1 30 HIS H . . 2.580 2.265 2.213 2.301 . 0 0 "[ . 1 . 2]" 2
210 1 8 CYS HA 1 30 HIS H . . 4.320 4.200 3.973 4.308 . 0 0 "[ . 1 . 2]" 2
211 1 30 HIS H 1 30 HIS HB2 . . 2.880 2.264 2.231 2.300 . 0 0 "[ . 1 . 2]" 2
212 1 29 TRP HB3 1 30 HIS H . . 3.020 2.804 2.697 2.979 . 0 0 "[ . 1 . 2]" 2
213 1 30 HIS H 1 30 HIS HB3 . . 3.590 3.543 3.525 3.561 . 0 0 "[ . 1 . 2]" 2
214 1 30 HIS H 1 33 CYS HB2 . . 3.130 1.944 1.882 2.147 . 0 0 "[ . 1 . 2]" 2
215 1 29 TRP HB2 1 30 HIS H . . 4.020 3.907 3.801 4.011 . 0 0 "[ . 1 . 2]" 2
216 1 10 ALA MB 1 30 HIS H . . 4.290 3.778 3.682 3.863 . 0 0 "[ . 1 . 2]" 2
217 1 57 CYS H 1 60 CYS H . . 4.180 3.784 3.753 3.826 . 0 0 "[ . 1 . 2]" 2
218 1 59 PRO HD2 1 60 CYS H . . 3.380 2.795 2.780 2.808 . 0 0 "[ . 1 . 2]" 2
219 1 59 PRO HD3 1 60 CYS H . . 4.020 3.891 3.884 3.896 . 0 0 "[ . 1 . 2]" 2
220 1 60 CYS H 1 60 CYS HB2 . . 2.740 2.279 2.256 2.300 . 0 0 "[ . 1 . 2]" 2
221 1 60 CYS H 1 60 CYS HB3 . . 3.680 3.544 3.534 3.553 . 0 0 "[ . 1 . 2]" 2
222 1 59 PRO HB3 1 60 CYS H . . 4.120 3.845 3.832 3.861 . 0 0 "[ . 1 . 2]" 2
223 1 59 PRO HB2 1 60 CYS H . . 3.240 2.820 2.797 2.848 . 0 0 "[ . 1 . 2]" 2
224 1 64 LYS H 1 64 LYS HA . . 2.890 2.823 2.804 2.855 . 0 0 "[ . 1 . 2]" 2
225 1 61 TYR HA 1 64 LYS H . . 3.640 3.551 3.484 3.638 . 0 0 "[ . 1 . 2]" 2
226 1 63 ASN HB2 1 64 LYS H . . 3.930 3.433 2.525 3.943 0.013 15 0 "[ . 1 . 2]" 2
227 1 64 LYS H 1 64 LYS HB3 . . 2.790 2.293 2.205 2.399 . 0 0 "[ . 1 . 2]" 2
228 1 64 LYS H 1 64 LYS HB2 . . 3.680 3.273 2.795 3.584 . 0 0 "[ . 1 . 2]" 2
229 1 62 GLU H 1 64 LYS H . . 4.680 4.427 4.282 4.500 . 0 0 "[ . 1 . 2]" 2
230 1 36 CYS H 1 41 GLN H . . 3.490 2.432 2.362 2.493 . 0 0 "[ . 1 . 2]" 2
231 1 40 GLU HA 1 41 GLN H . . 3.350 2.833 2.808 2.854 . 0 0 "[ . 1 . 2]" 2
232 1 41 GLN H 1 42 PRO HD2 . . 4.840 4.832 4.825 4.836 . 0 0 "[ . 1 . 2]" 2
233 1 36 CYS HB3 1 41 GLN H . . 2.860 1.932 1.890 1.974 . 0 0 "[ . 1 . 2]" 2
234 1 36 CYS HB2 1 41 GLN H . . 3.350 3.328 3.259 3.370 0.020 13 0 "[ . 1 . 2]" 2
235 1 41 GLN H 1 41 GLN QG . . 3.130 2.981 2.763 3.110 . 0 0 "[ . 1 . 2]" 2
236 1 40 GLU QB 1 41 GLN H . . 3.980 3.831 3.821 3.844 . 0 0 "[ . 1 . 2]" 2
237 1 41 GLN H 1 41 GLN QB . . 2.690 2.282 2.221 2.379 . 0 0 "[ . 1 . 2]" 2
238 1 35 LEU HB3 1 41 GLN H . . 4.080 3.538 3.460 3.613 . 0 0 "[ . 1 . 2]" 2
239 1 41 GLN H 1 43 LEU MD2 . . 4.220 3.824 3.759 3.901 . 0 0 "[ . 1 . 2]" 2
240 1 33 CYS H 1 34 PHE HB2 . . 4.480 4.435 4.367 4.505 0.025 12 0 "[ . 1 . 2]" 2
241 1 30 HIS H 1 33 CYS H . . 3.850 3.559 3.507 3.724 . 0 0 "[ . 1 . 2]" 2
242 1 32 HIS H 1 33 CYS H . . 3.660 1.993 1.982 2.003 . 0 0 "[ . 1 . 2]" 2
243 1 32 HIS HA 1 33 CYS H . . 3.520 3.385 3.365 3.402 . 0 0 "[ . 1 . 2]" 2
244 1 31 GLU HA 1 33 CYS H . . 4.400 4.169 4.108 4.218 . 0 0 "[ . 1 . 2]" 2
245 1 30 HIS HB2 1 33 CYS H . . 2.810 2.586 2.548 2.641 . 0 0 "[ . 1 . 2]" 2
246 1 32 HIS HB3 1 33 CYS H . . 4.320 4.135 3.949 4.285 . 0 0 "[ . 1 . 2]" 2
247 1 33 CYS H 1 33 CYS HB2 . . 2.870 2.286 2.266 2.321 . 0 0 "[ . 1 . 2]" 2
248 1 10 ALA MB 1 33 CYS H . . 5.070 4.831 4.767 4.910 . 0 0 "[ . 1 . 2]" 2
249 1 33 CYS H 1 35 LEU MD2 . . 5.050 4.859 4.735 5.019 . 0 0 "[ . 1 . 2]" 2
250 1 13 GLU H 1 14 THR H . . 4.670 4.576 4.503 4.602 . 0 0 "[ . 1 . 2]" 2
251 1 13 GLU HA 1 14 THR H . . 2.680 2.594 2.536 2.655 . 0 0 "[ . 1 . 2]" 2
252 1 14 THR H 1 14 THR HB . . 2.700 2.516 2.453 2.567 . 0 0 "[ . 1 . 2]" 2
253 1 13 GLU HG3 1 14 THR H . . 4.590 4.529 4.462 4.606 0.016 8 0 "[ . 1 . 2]" 2
254 1 13 GLU HB3 1 14 THR H . . 2.870 2.023 1.909 2.135 . 0 0 "[ . 1 . 2]" 2
255 1 13 GLU HB2 1 14 THR H . . 3.590 3.433 3.302 3.537 . 0 0 "[ . 1 . 2]" 2
256 1 14 THR H 1 14 THR MG . . 4.000 3.800 3.768 3.827 . 0 0 "[ . 1 . 2]" 2
257 1 47 SER H 1 48 PHE H . . 4.730 4.587 4.534 4.621 . 0 0 "[ . 1 . 2]" 2
258 1 47 SER HA 1 48 PHE H . . 2.580 2.334 2.162 2.472 . 0 0 "[ . 1 . 2]" 2
259 1 47 SER HB2 1 48 PHE H . . 4.000 3.748 3.085 4.024 0.024 3 0 "[ . 1 . 2]" 2
260 1 48 PHE H 1 48 PHE HB3 . . 3.840 3.380 3.284 3.451 . 0 0 "[ . 1 . 2]" 2
261 1 48 PHE H 1 58 VAL MG2 . . 4.170 4.171 3.980 4.233 0.063 17 0 "[ . 1 . 2]" 2
262 1 48 PHE H 1 48 PHE QD . . 3.230 2.812 2.558 3.034 . 0 0 "[ . 1 . 2]" 2
263 1 61 TYR HB3 1 62 GLU H . . 3.080 2.339 2.269 2.421 . 0 0 "[ . 1 . 2]" 2
264 1 61 TYR HB2 1 62 GLU H . . 3.940 3.753 3.717 3.816 . 0 0 "[ . 1 . 2]" 2
265 1 62 GLU H 1 62 GLU HG3 . . 3.130 2.432 2.366 2.533 . 0 0 "[ . 1 . 2]" 2
266 1 62 GLU H 1 62 GLU HG2 . . 3.400 3.291 3.167 3.388 . 0 0 "[ . 1 . 2]" 2
267 1 62 GLU H 1 62 GLU HB2 . . 2.910 2.425 2.384 2.458 . 0 0 "[ . 1 . 2]" 2
268 1 62 GLU H 1 62 GLU HB3 . . 3.640 3.583 3.576 3.588 . 0 0 "[ . 1 . 2]" 2
269 1 37 SER HA 1 40 GLU H . . 4.750 4.258 4.236 4.286 . 0 0 "[ . 1 . 2]" 2
270 1 38 GLY HA3 1 40 GLU H . . 5.100 4.242 4.209 4.281 . 0 0 "[ . 1 . 2]" 2
271 1 40 GLU H 1 40 GLU HA . . 2.470 2.275 2.274 2.275 . 0 0 "[ . 1 . 2]" 2
272 1 36 CYS HB3 1 40 GLU H . . 3.150 2.694 2.620 2.741 . 0 0 "[ . 1 . 2]" 2
273 1 36 CYS HB2 1 40 GLU H . . 4.420 4.399 4.337 4.444 0.024 17 0 "[ . 1 . 2]" 2
274 1 40 GLU H 1 40 GLU QB . . 3.400 3.229 3.181 3.277 . 0 0 "[ . 1 . 2]" 2
275 1 35 LEU HB3 1 40 GLU H . . 4.740 4.650 4.573 4.721 . 0 0 "[ . 1 . 2]" 2
276 1 65 PHE H 1 65 PHE QD . . 3.280 2.639 2.250 2.947 . 0 0 "[ . 1 . 2]" 2
277 1 62 GLU HA 1 65 PHE H . . 3.990 3.648 3.529 3.727 . 0 0 "[ . 1 . 2]" 2
278 1 61 TYR HA 1 65 PHE H . . 4.270 4.147 4.042 4.256 . 0 0 "[ . 1 . 2]" 2
279 1 65 PHE H 1 65 PHE HB2 . . 2.900 2.299 2.250 2.346 . 0 0 "[ . 1 . 2]" 2
280 1 64 LYS HB2 1 65 PHE H . . 4.130 4.088 4.012 4.137 0.007 13 0 "[ . 1 . 2]" 2
281 1 27 GLN HA 1 28 THR H . . 2.700 2.561 2.495 2.636 . 0 0 "[ . 1 . 2]" 2
282 1 27 GLN HB3 1 28 THR H . . 2.880 2.124 1.968 2.288 . 0 0 "[ . 1 . 2]" 2
283 1 28 THR H 1 28 THR MG . . 4.090 3.922 3.882 3.953 . 0 0 "[ . 1 . 2]" 2
284 1 17 PRO HA 1 19 SER H . . 4.020 3.662 3.384 4.029 0.009 15 0 "[ . 1 . 2]" 2
285 1 19 SER H 1 19 SER QB . . 3.060 2.621 2.210 2.929 . 0 0 "[ . 1 . 2]" 2
286 1 55 HIS H 1 55 HIS HB3 . . 4.020 3.700 3.678 3.740 . 0 0 "[ . 1 . 2]" 2
287 1 54 ALA HA 1 55 HIS H . . 2.840 2.159 2.145 2.197 . 0 0 "[ . 1 . 2]" 2
288 1 55 HIS H 1 55 HIS HB2 . . 3.540 2.704 2.595 2.795 . 0 0 "[ . 1 . 2]" 2
289 1 45 SER H 1 45 SER HB3 . . 4.080 3.117 2.583 3.785 . 0 0 "[ . 1 . 2]" 2
290 1 11 CYS H 1 29 TRP HD1 . . 5.030 4.822 4.597 4.888 . 0 0 "[ . 1 . 2]" 2
291 1 11 CYS H 1 12 GLY HA2 . . 4.590 4.493 4.336 4.555 . 0 0 "[ . 1 . 2]" 2
292 1 8 CYS HB3 1 11 CYS H . . 3.110 3.094 2.940 3.128 0.018 2 0 "[ . 1 . 2]" 2
293 1 8 CYS HB2 1 11 CYS H . . 4.430 4.314 4.186 4.358 . 0 0 "[ . 1 . 2]" 2
294 1 10 ALA H 1 11 CYS H . . 2.730 2.598 2.349 2.680 . 0 0 "[ . 1 . 2]" 2
295 1 11 CYS H 1 13 GLU H . . 3.940 3.895 3.632 3.957 0.017 8 0 "[ . 1 . 2]" 2
296 1 11 CYS H 1 11 CYS HB3 . . 3.160 2.875 2.842 2.977 . 0 0 "[ . 1 . 2]" 2
297 1 10 ALA MB 1 11 CYS H . . 2.660 2.152 2.065 2.433 . 0 0 "[ . 1 . 2]" 2
298 1 62 GLU H 1 63 ASN H . . 2.950 2.606 2.545 2.643 . 0 0 "[ . 1 . 2]" 2
299 1 63 ASN H 1 63 ASN HA . . 2.900 2.880 2.853 2.905 0.005 15 0 "[ . 1 . 2]" 2
300 1 59 PRO HA 1 63 ASN H . . 4.220 3.741 3.663 3.913 . 0 0 "[ . 1 . 2]" 2
301 1 60 CYS HA 1 63 ASN H . . 3.950 3.926 3.865 3.967 0.017 13 0 "[ . 1 . 2]" 2
302 1 62 GLU HA 1 63 ASN H . . 3.530 3.440 3.397 3.468 . 0 0 "[ . 1 . 2]" 2
303 1 63 ASN H 1 65 PHE HB2 . . 5.500 5.050 4.888 5.223 . 0 0 "[ . 1 . 2]" 2
304 1 62 GLU HB2 1 63 ASN H . . 3.270 3.071 2.971 3.209 . 0 0 "[ . 1 . 2]" 2
305 1 46 ARG HA 1 47 SER H . . 2.740 2.375 2.286 2.471 . 0 0 "[ . 1 . 2]" 2
306 1 47 SER H 1 47 SER HB3 . . 3.800 3.422 2.867 3.644 . 0 0 "[ . 1 . 2]" 2
307 1 46 ARG QB 1 47 SER H . . 3.040 2.499 2.323 2.676 . 0 0 "[ . 1 . 2]" 2
308 1 46 ARG HG2 1 47 SER H . . 5.040 4.737 4.438 5.033 . 0 0 "[ . 1 . 2]" 2
309 1 46 ARG HG3 1 47 SER H . . 5.040 4.524 3.861 5.091 0.051 8 0 "[ . 1 . 2]" 2
310 1 66 ALA H 1 67 SER H . . 4.570 3.956 2.367 4.571 0.001 6 0 "[ . 1 . 2]" 2
311 1 67 SER H 1 67 SER QB . . 3.870 2.571 2.224 3.213 . 0 0 "[ . 1 . 2]" 2
312 1 66 ALA MB 1 67 SER H . . 4.180 2.832 2.097 3.710 . 0 0 "[ . 1 . 2]" 2
313 1 37 SER H 1 38 GLY H . . 3.140 2.823 2.775 2.872 . 0 0 "[ . 1 . 2]" 2
314 1 38 GLY H 1 40 GLU H . . 3.820 2.532 2.522 2.542 . 0 0 "[ . 1 . 2]" 2
315 1 38 GLY H 1 56 TYR QE . . 4.040 4.019 3.969 4.064 0.024 7 0 "[ . 1 . 2]" 2
316 1 38 GLY H 1 56 TYR HA . . 4.260 4.272 4.249 4.285 0.025 4 0 "[ . 1 . 2]" 2
317 1 38 GLY H 1 38 GLY HA3 . . 2.680 2.551 2.545 2.555 . 0 0 "[ . 1 . 2]" 2
318 1 36 CYS HB3 1 38 GLY H . . 4.100 3.140 3.117 3.172 . 0 0 "[ . 1 . 2]" 2
319 1 36 CYS HB2 1 38 GLY H . . 4.530 4.134 4.122 4.151 . 0 0 "[ . 1 . 2]" 2
320 1 41 GLN HE22 1 41 GLN QG . . 3.690 3.265 3.221 3.298 . 0 0 "[ . 1 . 2]" 2
321 1 10 ALA H 1 12 GLY H . . 3.690 3.403 3.273 3.526 . 0 0 "[ . 1 . 2]" 2
322 1 12 GLY H 1 13 GLU H . . 3.060 2.410 2.207 2.508 . 0 0 "[ . 1 . 2]" 2
323 1 12 GLY H 1 12 GLY HA2 . . 2.630 2.412 2.384 2.430 . 0 0 "[ . 1 . 2]" 2
324 1 8 CYS HB3 1 12 GLY H . . 3.080 2.196 2.109 2.350 . 0 0 "[ . 1 . 2]" 2
325 1 11 CYS HB3 1 12 GLY H . . 4.270 4.050 4.020 4.091 . 0 0 "[ . 1 . 2]" 2
326 1 15 VAL HA 1 16 MET H . . 2.730 2.154 2.141 2.201 . 0 0 "[ . 1 . 2]" 2
327 1 16 MET H 1 16 MET HG2 . . 3.750 2.897 2.432 3.592 . 0 0 "[ . 1 . 2]" 2
328 1 16 MET H 1 16 MET HG3 . . 3.750 3.427 2.515 3.805 0.055 7 0 "[ . 1 . 2]" 2
329 1 16 MET H 1 16 MET HB2 . . 3.190 2.385 2.283 2.489 . 0 0 "[ . 1 . 2]" 2
330 1 15 VAL MG1 1 16 MET H . . 4.280 2.783 2.419 3.121 . 0 0 "[ . 1 . 2]" 2
331 1 15 VAL MG2 1 16 MET H . . 4.280 4.205 4.132 4.308 0.028 20 0 "[ . 1 . 2]" 2
332 1 32 HIS H 1 32 HIS HB2 . . 3.960 3.737 3.710 3.751 . 0 0 "[ . 1 . 2]" 2
333 1 7 GLY HA2 1 15 VAL H . . 2.500 1.917 1.879 1.986 . 0 0 "[ . 1 . 2]" 2
334 1 7 GLY HA3 1 15 VAL H . . 4.010 3.606 3.531 3.716 . 0 0 "[ . 1 . 2]" 2
335 1 15 VAL H 1 15 VAL HB . . 2.820 2.608 2.524 2.718 . 0 0 "[ . 1 . 2]" 2
336 1 14 THR MG 1 15 VAL H . . 3.120 3.068 2.887 3.148 0.028 5 0 "[ . 1 . 2]" 2
337 1 15 VAL H 1 15 VAL MG1 . . 3.780 3.769 3.757 3.777 . 0 0 "[ . 1 . 2]" 2
338 1 15 VAL H 1 15 VAL MG2 . . 3.780 2.038 1.882 2.262 . 0 0 "[ . 1 . 2]" 2
339 1 10 ALA H 1 29 TRP HE1 . . 4.060 4.048 3.904 4.085 0.025 4 0 "[ . 1 . 2]" 2
340 1 29 TRP HE1 1 55 HIS HE1 . . 4.330 3.989 3.694 4.224 . 0 0 "[ . 1 . 2]" 2
341 1 29 TRP HE1 1 34 PHE QD . . 5.000 4.816 4.697 4.905 . 0 0 "[ . 1 . 2]" 2
342 1 9 SER HB3 1 29 TRP HE1 . . 3.950 2.125 1.941 2.328 . 0 0 "[ . 1 . 2]" 2
343 1 6 SER HA 1 7 GLY H . . 3.230 2.389 2.142 3.555 0.325 16 0 "[ . 1 . 2]" 2
344 1 6 SER QB 1 7 GLY H . . 4.080 3.199 1.881 3.915 . 0 0 "[ . 1 . 2]" 2
345 1 37 SER H 1 55 HIS H . . 3.830 3.426 3.277 3.570 . 0 0 "[ . 1 . 2]" 2
346 1 37 SER H 1 56 TYR HA . . 3.350 3.174 3.102 3.244 . 0 0 "[ . 1 . 2]" 2
347 1 36 CYS HA 1 37 SER H . . 2.480 2.244 2.219 2.271 . 0 0 "[ . 1 . 2]" 2
348 1 37 SER H 1 37 SER HB2 . . 3.620 2.367 2.209 2.427 . 0 0 "[ . 1 . 2]" 2
349 1 37 SER H 1 37 SER HB3 . . 3.620 3.159 2.863 3.618 . 0 0 "[ . 1 . 2]" 2
350 1 37 SER H 1 43 LEU MD1 . . 3.890 3.779 3.669 3.909 0.019 2 0 "[ . 1 . 2]" 2
351 1 64 LYS HA 1 66 ALA H . . 3.880 3.620 3.528 3.716 . 0 0 "[ . 1 . 2]" 2
352 1 58 VAL H 1 58 VAL MG1 . . 3.800 3.734 3.712 3.750 . 0 0 "[ . 1 . 2]" 2
353 1 27 GLN H 1 29 TRP HH2 . . 4.350 3.702 3.382 3.902 . 0 0 "[ . 1 . 2]" 2
354 1 11 CYS H 1 12 GLY HA3 . . 5.040 4.890 4.756 4.942 . 0 0 "[ . 1 . 2]" 2
355 1 8 CYS HA 1 11 CYS H . . 5.190 4.979 4.720 5.132 . 0 0 "[ . 1 . 2]" 2
356 1 10 ALA HA 1 12 GLY H . . 5.290 4.873 4.781 4.968 . 0 0 "[ . 1 . 2]" 2
357 1 12 GLY H 1 13 GLU HA . . 5.100 4.985 4.902 5.054 . 0 0 "[ . 1 . 2]" 2
358 1 12 GLY H 1 13 GLU HG2 . . 4.920 4.819 4.597 4.929 0.009 11 0 "[ . 1 . 2]" 2
359 1 9 SER H 1 29 TRP HE1 . . 4.890 4.111 4.008 4.201 . 0 0 "[ . 1 . 2]" 2
360 1 10 ALA HA 1 29 TRP HE1 . . 4.180 4.035 3.723 4.184 0.004 11 0 "[ . 1 . 2]" 2
361 1 27 GLN HB3 1 29 TRP HE1 . . 4.520 4.446 4.367 4.516 . 0 0 "[ . 1 . 2]" 2
362 1 29 TRP HB3 1 29 TRP HE1 . . 4.980 4.789 4.781 4.796 . 0 0 "[ . 1 . 2]" 2
363 1 29 TRP HE1 1 34 PHE QE . . 5.500 5.506 5.448 5.528 0.028 17 0 "[ . 1 . 2]" 2
364 1 31 GLU HB3 1 32 HIS H . . 4.380 3.275 3.235 3.344 . 0 0 "[ . 1 . 2]" 2
365 1 31 GLU HB2 1 32 HIS H . . 4.930 3.998 3.902 4.060 . 0 0 "[ . 1 . 2]" 2
366 1 8 CYS H 1 15 VAL HB . . 4.840 4.313 4.122 4.432 . 0 0 "[ . 1 . 2]" 2
367 1 8 CYS H 1 13 GLU HA . . 4.950 4.694 4.554 4.756 . 0 0 "[ . 1 . 2]" 2
368 1 8 CYS H 1 29 TRP HA . . 5.500 5.601 5.564 5.628 0.128 9 0 "[ . 1 . 2]" 2
369 1 8 CYS H 1 28 THR MG . . 5.040 4.694 4.579 4.893 . 0 0 "[ . 1 . 2]" 2
370 1 8 CYS H 1 14 THR MG . . 5.220 4.847 4.727 5.063 . 0 0 "[ . 1 . 2]" 2
371 1 9 SER H 1 28 THR MG . . 4.840 4.682 4.497 4.849 0.009 10 0 "[ . 1 . 2]" 2
372 1 9 SER H 1 27 GLN HB3 . . 4.720 4.628 4.440 4.751 0.031 15 0 "[ . 1 . 2]" 2
373 1 9 SER H 1 10 ALA HA . . 5.070 4.853 4.822 4.884 . 0 0 "[ . 1 . 2]" 2
374 1 9 SER H 1 29 TRP HD1 . . 4.530 3.418 3.335 3.485 . 0 0 "[ . 1 . 2]" 2
375 1 10 ALA H 1 11 CYS HA . . 5.260 5.127 4.970 5.179 . 0 0 "[ . 1 . 2]" 2
376 1 11 CYS H 1 30 HIS HE1 . . 5.500 5.420 5.279 5.510 0.010 13 0 "[ . 1 . 2]" 2
377 1 9 SER H 1 11 CYS H . . 4.600 4.518 4.396 4.608 0.008 14 0 "[ . 1 . 2]" 2
378 1 10 ALA MB 1 13 GLU H . . 5.500 5.510 5.429 5.545 0.045 16 0 "[ . 1 . 2]" 2
379 1 11 CYS HB3 1 13 GLU H . . 4.390 4.304 4.268 4.426 0.036 12 0 "[ . 1 . 2]" 2
380 1 7 GLY HA3 1 14 THR H . . 5.500 5.516 5.490 5.569 0.069 19 0 "[ . 1 . 2]" 2
381 1 14 THR H 1 30 HIS HE1 . . 4.460 4.012 3.844 4.186 . 0 0 "[ . 1 . 2]" 2
382 1 8 CYS H 1 14 THR H . . 4.860 4.496 4.364 4.606 . 0 0 "[ . 1 . 2]" 2
383 1 15 VAL H 1 16 MET H . . 4.720 4.414 4.256 4.525 . 0 0 "[ . 1 . 2]" 2
384 1 15 VAL H 1 16 MET HA . . 5.500 5.349 5.258 5.426 . 0 0 "[ . 1 . 2]" 2
385 1 6 SER QB 1 15 VAL H . . 4.650 4.584 4.334 4.673 0.023 19 0 "[ . 1 . 2]" 2
386 1 15 VAL H 1 28 THR MG . . 4.560 4.163 3.997 4.339 . 0 0 "[ . 1 . 2]" 2
387 1 16 MET H 1 17 PRO HD2 . . 4.910 4.802 4.779 4.823 . 0 0 "[ . 1 . 2]" 2
388 1 15 VAL HB 1 16 MET H . . 4.670 4.283 4.115 4.408 . 0 0 "[ . 1 . 2]" 2
389 1 14 THR MG 1 16 MET H . . 4.530 4.226 3.807 4.445 . 0 0 "[ . 1 . 2]" 2
390 1 19 SER H 1 20 ARG H . . 5.010 4.379 4.147 4.625 . 0 0 "[ . 1 . 2]" 2
391 1 20 ARG H 1 20 ARG HG3 . . 4.440 3.481 2.311 4.405 . 0 0 "[ . 1 . 2]" 2
392 1 21 LYS H 1 21 LYS QE . . 4.930 4.684 4.322 4.941 0.011 10 0 "[ . 1 . 2]" 2
393 1 21 LYS H 1 31 GLU QG . . 4.790 4.604 4.303 4.806 0.016 8 0 "[ . 1 . 2]" 2
394 1 22 LEU H 1 29 TRP HE3 . . 5.320 5.168 5.094 5.236 . 0 0 "[ . 1 . 2]" 2
395 1 21 LYS H 1 22 LEU H . . 4.860 4.394 4.375 4.418 . 0 0 "[ . 1 . 2]" 2
396 1 21 LYS QE 1 22 LEU H . . 5.420 4.870 3.217 5.427 0.007 15 0 "[ . 1 . 2]" 2
397 1 22 LEU H 1 23 GLU HG2 . . 4.820 4.366 4.055 4.695 . 0 0 "[ . 1 . 2]" 2
398 1 15 VAL MG1 1 22 LEU H . . 5.260 3.523 3.358 3.676 . 0 0 "[ . 1 . 2]" 2
399 1 22 LEU H 1 23 GLU HA . . 5.090 4.923 4.894 4.994 . 0 0 "[ . 1 . 2]" 2
400 1 22 LEU H 1 29 TRP HA . . 5.140 4.844 4.771 4.907 . 0 0 "[ . 1 . 2]" 2
401 1 23 GLU H 1 28 THR HA . . 4.970 4.604 4.469 4.803 . 0 0 "[ . 1 . 2]" 2
402 1 24 TYR H 1 29 TRP H . . 4.920 4.622 4.551 4.753 . 0 0 "[ . 1 . 2]" 2
403 1 24 TYR H 1 27 GLN HA . . 5.500 5.148 4.955 5.388 . 0 0 "[ . 1 . 2]" 2
404 1 24 TYR H 1 27 GLN HB3 . . 5.050 4.534 4.101 4.973 . 0 0 "[ . 1 . 2]" 2
405 1 22 LEU MD2 1 24 TYR H . . 5.500 5.517 5.485 5.552 0.052 13 0 "[ . 1 . 2]" 2
406 1 24 TYR H 1 28 THR MG . . 5.430 5.263 5.143 5.413 . 0 0 "[ . 1 . 2]" 2
407 1 28 THR H 1 29 TRP H . . 4.350 4.208 4.177 4.245 . 0 0 "[ . 1 . 2]" 2
408 1 27 GLN HB2 1 28 THR H . . 3.800 3.590 3.470 3.736 . 0 0 "[ . 1 . 2]" 2
409 1 27 GLN HG3 1 28 THR H . . 4.490 4.230 3.969 4.528 0.038 4 0 "[ . 1 . 2]" 2
410 1 27 GLN HG2 1 28 THR H . . 4.490 4.029 3.200 4.526 0.036 16 0 "[ . 1 . 2]" 2
411 1 23 GLU HA 1 28 THR H . . 4.980 4.628 4.445 4.932 . 0 0 "[ . 1 . 2]" 2
412 1 28 THR H 1 29 TRP HZ3 . . 5.130 4.874 4.801 4.956 . 0 0 "[ . 1 . 2]" 2
413 1 15 VAL MG2 1 29 TRP H . . 4.990 4.292 4.143 4.586 . 0 0 "[ . 1 . 2]" 2
414 1 22 LEU MD1 1 29 TRP H . . 5.010 4.844 4.765 4.940 . 0 0 "[ . 1 . 2]" 2
415 1 8 CYS HA 1 29 TRP H . . 4.830 4.800 4.744 4.856 0.026 14 0 "[ . 1 . 2]" 2
416 1 15 VAL MG1 1 30 HIS H . . 4.760 4.583 4.304 4.750 . 0 0 "[ . 1 . 2]" 2
417 1 28 THR MG 1 30 HIS H . . 4.730 4.562 4.436 4.728 . 0 0 "[ . 1 . 2]" 2
418 1 21 LYS QB 1 30 HIS H . . 5.350 5.259 5.082 5.369 0.019 9 0 "[ . 1 . 2]" 2
419 1 21 LYS HA 1 30 HIS H . . 5.500 5.419 5.221 5.547 0.047 8 0 "[ . 1 . 2]" 2
420 1 30 HIS H 1 30 HIS HD2 . . 4.940 4.814 4.749 4.891 . 0 0 "[ . 1 . 2]" 2
421 1 11 CYS H 1 30 HIS H . . 5.270 5.138 5.047 5.250 . 0 0 "[ . 1 . 2]" 2
422 1 31 GLU H 1 33 CYS H . . 4.570 4.034 4.023 4.044 . 0 0 "[ . 1 . 2]" 2
423 1 22 LEU HB2 1 31 GLU H . . 5.500 4.873 4.841 4.943 . 0 0 "[ . 1 . 2]" 2
424 1 22 LEU HG 1 31 GLU H . . 5.500 5.023 4.886 5.083 . 0 0 "[ . 1 . 2]" 2
425 1 29 TRP HB2 1 33 CYS H . . 5.500 5.552 5.502 5.601 0.101 17 0 "[ . 1 . 2]" 2
426 1 33 CYS H 1 34 PHE HA . . 5.040 4.938 4.882 4.978 . 0 0 "[ . 1 . 2]" 2
427 1 30 HIS H 1 34 PHE H . . 4.650 3.702 3.589 3.883 . 0 0 "[ . 1 . 2]" 2
428 1 10 ALA MB 1 34 PHE H . . 4.910 4.620 4.549 4.694 . 0 0 "[ . 1 . 2]" 2
429 1 32 HIS H 1 34 PHE H . . 4.860 3.749 3.704 3.797 . 0 0 "[ . 1 . 2]" 2
430 1 34 PHE H 1 35 LEU H . . 4.380 4.245 4.193 4.271 . 0 0 "[ . 1 . 2]" 2
431 1 35 LEU H 1 43 LEU MD1 . . 5.250 4.990 4.693 5.245 . 0 0 "[ . 1 . 2]" 2
432 1 34 PHE HB3 1 35 LEU H . . 4.560 4.359 4.335 4.394 . 0 0 "[ . 1 . 2]" 2
433 1 29 TRP HD1 1 35 LEU H . . 5.500 5.520 5.499 5.535 0.035 18 0 "[ . 1 . 2]" 2
434 1 35 LEU H 1 36 CYS H . . 4.500 4.446 4.430 4.463 . 0 0 "[ . 1 . 2]" 2
435 1 37 SER H 1 57 CYS H . . 4.880 4.733 4.659 4.826 . 0 0 "[ . 1 . 2]" 2
436 1 36 CYS H 1 37 SER H . . 4.610 4.577 4.564 4.589 . 0 0 "[ . 1 . 2]" 2
437 1 37 SER H 1 56 TYR QE . . 4.570 4.158 4.047 4.300 . 0 0 "[ . 1 . 2]" 2
438 1 36 CYS HB3 1 37 SER H . . 4.370 4.018 3.950 4.086 . 0 0 "[ . 1 . 2]" 2
439 1 37 SER H 1 55 HIS HB2 . . 4.610 3.460 3.397 3.547 . 0 0 "[ . 1 . 2]" 2
440 1 37 SER H 1 56 TYR HB3 . . 5.310 5.274 5.182 5.335 0.025 11 0 "[ . 1 . 2]" 2
441 1 38 GLY H 1 39 CYS HB3 . . 5.480 5.169 5.121 5.202 . 0 0 "[ . 1 . 2]" 2
442 1 37 SER H 1 39 CYS H . . 4.780 4.649 4.565 4.709 . 0 0 "[ . 1 . 2]" 2
443 1 39 CYS H 1 56 TYR HA . . 5.370 5.140 5.121 5.164 . 0 0 "[ . 1 . 2]" 2
444 1 40 GLU H 1 43 LEU MD2 . . 5.500 5.516 5.465 5.552 0.052 20 0 "[ . 1 . 2]" 2
445 1 35 LEU HB2 1 40 GLU H . . 5.310 5.306 5.134 5.345 0.035 13 0 "[ . 1 . 2]" 2
446 1 38 GLY HA2 1 40 GLU H . . 4.580 4.433 4.386 4.467 . 0 0 "[ . 1 . 2]" 2
447 1 36 CYS H 1 40 GLU H . . 4.090 3.716 3.665 3.751 . 0 0 "[ . 1 . 2]" 2
448 1 37 SER H 1 40 GLU H . . 4.880 4.734 4.691 4.762 . 0 0 "[ . 1 . 2]" 2
449 1 35 LEU HA 1 41 GLN H . . 4.700 4.557 4.486 4.627 . 0 0 "[ . 1 . 2]" 2
450 1 36 CYS HA 1 41 GLN H . . 4.780 4.537 4.496 4.569 . 0 0 "[ . 1 . 2]" 2
451 1 41 GLN H 1 43 LEU HG . . 5.030 4.581 4.532 4.640 . 0 0 "[ . 1 . 2]" 2
452 1 39 CYS HA 1 41 GLN H . . 4.900 4.782 4.736 4.823 . 0 0 "[ . 1 . 2]" 2
453 1 35 LEU HB2 1 41 GLN H . . 4.950 4.918 4.704 4.977 0.027 12 0 "[ . 1 . 2]" 2
454 1 36 CYS HB2 1 43 LEU H . . 5.030 4.691 4.615 4.772 . 0 0 "[ . 1 . 2]" 2
455 1 34 PHE HB3 1 43 LEU H . . 4.390 4.331 4.236 4.407 0.017 19 0 "[ . 1 . 2]" 2
456 1 44 GLY H 1 46 ARG H . . 4.760 4.163 4.003 4.296 . 0 0 "[ . 1 . 2]" 2
457 1 44 GLY H 1 45 SER HA . . 5.500 5.396 5.260 5.533 0.033 14 0 "[ . 1 . 2]" 2
458 1 43 LEU MD1 1 44 GLY H . . 5.370 5.241 5.156 5.364 . 0 0 "[ . 1 . 2]" 2
459 1 45 SER H 1 46 ARG QB . . 5.060 4.392 4.164 4.688 . 0 0 "[ . 1 . 2]" 2
460 1 43 LEU MD2 1 46 ARG H . . 4.680 4.288 4.076 4.538 . 0 0 "[ . 1 . 2]" 2
461 1 43 LEU HB3 1 46 ARG H . . 4.810 4.240 3.671 4.566 . 0 0 "[ . 1 . 2]" 2
462 1 46 ARG H 1 46 ARG HD2 . . 5.360 4.621 4.099 5.208 . 0 0 "[ . 1 . 2]" 2
463 1 46 ARG H 1 46 ARG HD3 . . 5.360 4.685 4.310 5.189 . 0 0 "[ . 1 . 2]" 2
464 1 43 LEU HA 1 46 ARG H . . 4.380 2.897 2.706 3.156 . 0 0 "[ . 1 . 2]" 2
465 1 47 SER H 1 58 VAL MG2 . . 4.700 4.331 4.211 4.471 . 0 0 "[ . 1 . 2]" 2
466 1 48 PHE H 1 49 VAL MG2 . . 4.510 4.036 3.874 4.230 . 0 0 "[ . 1 . 2]" 2
467 1 48 PHE H 1 49 VAL H . . 4.520 4.362 4.357 4.369 . 0 0 "[ . 1 . 2]" 2
468 1 49 VAL H 1 50 PRO HD2 . . 5.030 4.638 4.600 4.669 . 0 0 "[ . 1 . 2]" 2
469 1 49 VAL H 1 58 VAL HA . . 5.460 4.874 4.771 4.962 . 0 0 "[ . 1 . 2]" 2
470 1 49 VAL H 1 58 VAL MG2 . . 5.210 5.248 5.165 5.314 0.104 8 0 "[ . 1 . 2]" 2
471 1 43 LEU MD1 1 49 VAL H . . 4.720 3.852 3.697 3.965 . 0 0 "[ . 1 . 2]" 2
472 1 49 VAL H 1 61 TYR HB2 . . 4.750 3.611 3.492 3.695 . 0 0 "[ . 1 . 2]" 2
473 1 51 ASP H 1 56 TYR QE . . 4.950 4.956 4.921 4.978 0.028 19 0 "[ . 1 . 2]" 2
474 1 51 ASP H 1 52 LYS H . . 4.790 4.175 3.885 4.453 . 0 0 "[ . 1 . 2]" 2
475 1 51 ASP HB2 1 52 LYS H . . 4.740 4.124 3.666 4.523 . 0 0 "[ . 1 . 2]" 2
476 1 52 LYS H 1 53 GLY H . . 4.560 3.511 2.882 4.283 . 0 0 "[ . 1 . 2]" 2
477 1 50 PRO HA 1 54 ALA H . . 5.340 5.030 4.800 5.258 . 0 0 "[ . 1 . 2]" 2
478 1 52 LYS H 1 54 ALA H . . 4.980 4.159 4.060 4.271 . 0 0 "[ . 1 . 2]" 2
479 1 55 HIS H 1 56 TYR H . . 4.440 4.258 4.210 4.279 . 0 0 "[ . 1 . 2]" 2
480 1 43 LEU MD1 1 56 TYR H . . 4.720 4.001 3.884 4.098 . 0 0 "[ . 1 . 2]" 2
481 1 49 VAL MG1 1 56 TYR H . . 5.120 4.993 4.927 5.072 . 0 0 "[ . 1 . 2]" 2
482 1 49 VAL MG2 1 56 TYR H . . 5.150 4.860 4.845 4.903 . 0 0 "[ . 1 . 2]" 2
483 1 56 TYR H 1 57 CYS H . . 4.840 4.415 4.400 4.436 . 0 0 "[ . 1 . 2]" 2
484 1 43 LEU HG 1 57 CYS H . . 5.500 5.445 5.302 5.521 0.021 12 0 "[ . 1 . 2]" 2
485 1 43 LEU MD1 1 58 VAL H . . 5.310 5.078 4.867 5.282 . 0 0 "[ . 1 . 2]" 2
486 1 57 CYS H 1 58 VAL H . . 4.710 4.617 4.601 4.631 . 0 0 "[ . 1 . 2]" 2
487 1 58 VAL H 1 61 TYR H . . 4.910 4.876 4.848 4.907 . 0 0 "[ . 1 . 2]" 2
488 1 56 TYR HA 1 60 CYS H . . 5.370 5.293 5.238 5.347 . 0 0 "[ . 1 . 2]" 2
489 1 56 TYR QD 1 60 CYS H . . 5.500 5.521 5.498 5.538 0.038 15 0 "[ . 1 . 2]" 2
490 1 60 CYS H 1 63 ASN H . . 5.100 4.810 4.763 4.895 . 0 0 "[ . 1 . 2]" 2
491 1 60 CYS H 1 61 TYR HB3 . . 5.020 4.985 4.938 5.021 0.001 3 0 "[ . 1 . 2]" 2
492 1 58 VAL MG1 1 60 CYS H . . 4.840 4.756 4.735 4.775 . 0 0 "[ . 1 . 2]" 2
493 1 59 PRO HG2 1 61 TYR H . . 4.760 4.418 4.400 4.438 . 0 0 "[ . 1 . 2]" 2
494 1 49 VAL HB 1 61 TYR H . . 5.230 5.113 5.047 5.190 . 0 0 "[ . 1 . 2]" 2
495 1 58 VAL MG1 1 61 TYR H . . 4.840 4.611 4.592 4.624 . 0 0 "[ . 1 . 2]" 2
496 1 59 PRO HA 1 61 TYR H . . 4.490 3.771 3.740 3.803 . 0 0 "[ . 1 . 2]" 2
497 1 56 TYR HA 1 61 TYR H . . 5.500 5.226 5.146 5.301 . 0 0 "[ . 1 . 2]" 2
498 1 57 CYS H 1 61 TYR H . . 4.560 4.488 4.428 4.543 . 0 0 "[ . 1 . 2]" 2
499 1 49 VAL MG2 1 62 GLU H . . 4.810 4.158 4.042 4.363 . 0 0 "[ . 1 . 2]" 2
500 1 58 VAL MG1 1 62 GLU H . . 4.160 3.994 3.963 4.031 . 0 0 "[ . 1 . 2]" 2
501 1 61 TYR HA 1 63 ASN H . . 4.430 4.002 3.900 4.111 . 0 0 "[ . 1 . 2]" 2
502 1 61 TYR HB3 1 63 ASN H . . 5.020 4.577 4.486 4.650 . 0 0 "[ . 1 . 2]" 2
503 1 61 TYR HB2 1 63 ASN H . . 5.500 5.406 5.311 5.496 . 0 0 "[ . 1 . 2]" 2
504 1 63 ASN H 1 64 LYS HB3 . . 4.730 4.549 4.374 4.707 . 0 0 "[ . 1 . 2]" 2
505 1 64 LYS H 1 65 PHE HB2 . . 4.800 4.672 4.495 4.778 . 0 0 "[ . 1 . 2]" 2
506 1 64 LYS H 1 65 PHE QD . . 5.040 4.143 3.913 4.350 . 0 0 "[ . 1 . 2]" 2
507 1 60 CYS HB3 1 64 LYS H . . 5.500 5.378 5.252 5.517 0.017 3 0 "[ . 1 . 2]" 2
508 1 64 LYS HG3 1 65 PHE H . . 4.450 3.361 2.458 4.457 0.007 9 0 "[ . 1 . 2]" 2
509 1 62 GLU H 1 65 PHE H . . 5.200 4.879 4.819 4.918 . 0 0 "[ . 1 . 2]" 2
510 1 65 PHE QD 1 66 ALA H . . 5.120 4.788 4.553 4.931 . 0 0 "[ . 1 . 2]" 2
511 1 67 SER QB 1 68 GLY H . . 4.720 3.352 2.409 4.066 . 0 0 "[ . 1 . 2]" 2
512 1 23 GLU H 1 24 TYR QD . . 4.910 3.027 2.909 3.195 . 0 0 "[ . 1 . 2]" 2
513 1 23 GLU H 1 24 TYR HB2 . . 5.110 4.882 4.832 4.919 . 0 0 "[ . 1 . 2]" 2
514 1 23 GLU H 1 28 THR MG . . 5.020 4.769 4.707 4.895 . 0 0 "[ . 1 . 2]" 2
515 1 24 TYR HB3 1 27 GLN H . . 5.500 5.456 5.294 5.560 0.060 13 0 "[ . 1 . 2]" 2
516 1 24 TYR HB2 1 27 GLN H . . 5.410 5.293 5.039 5.403 . 0 0 "[ . 1 . 2]" 2
517 1 27 GLN H 1 28 THR HA . . 5.500 5.278 4.825 5.453 . 0 0 "[ . 1 . 2]" 2
518 1 8 CYS HA 1 28 THR H . . 4.710 4.341 4.272 4.421 . 0 0 "[ . 1 . 2]" 2
519 1 9 SER HA 1 28 THR H . . 5.290 5.140 4.957 5.298 0.008 10 0 "[ . 1 . 2]" 2
520 1 15 VAL MG1 1 29 TRP H . . 4.990 4.705 4.484 4.966 . 0 0 "[ . 1 . 2]" 2
521 1 22 LEU HA 1 29 TRP H . . 4.970 4.601 4.530 4.722 . 0 0 "[ . 1 . 2]" 2
522 1 15 VAL MG2 1 31 GLU H . . 5.480 5.153 4.931 5.375 . 0 0 "[ . 1 . 2]" 2
523 1 15 VAL MG1 1 31 GLU H . . 5.480 4.416 4.191 4.600 . 0 0 "[ . 1 . 2]" 2
524 1 30 HIS HB2 1 32 HIS H . . 4.800 3.230 3.142 3.296 . 0 0 "[ . 1 . 2]" 2
525 1 30 HIS HB3 1 33 CYS H . . 3.270 2.902 2.806 3.026 . 0 0 "[ . 1 . 2]" 2
526 1 34 PHE H 1 35 LEU MD1 . . 5.330 5.298 5.207 5.341 0.011 5 0 "[ . 1 . 2]" 2
527 1 30 HIS HB3 1 34 PHE H . . 4.880 4.719 4.636 4.786 . 0 0 "[ . 1 . 2]" 2
528 1 16 MET H 1 16 MET HB3 . . 3.730 3.601 3.557 3.639 . 0 0 "[ . 1 . 2]" 2
529 1 55 HIS H 1 55 HIS HD2 . . 4.740 4.404 4.117 4.679 . 0 0 "[ . 1 . 2]" 2
530 1 55 HIS H 1 56 TYR QE . . 5.160 5.043 4.940 5.139 . 0 0 "[ . 1 . 2]" 2
531 1 62 GLU HB2 1 64 LYS H . . 5.500 5.460 5.373 5.511 0.011 4 0 "[ . 1 . 2]" 2
532 1 10 ALA H 1 33 CYS HB3 . . 4.260 4.022 3.896 4.146 . 0 0 "[ . 1 . 2]" 2
533 1 29 TRP HA 1 29 TRP HE1 . . 5.110 5.056 5.018 5.109 . 0 0 "[ . 1 . 2]" 2
534 1 8 CYS H 1 12 GLY HA3 . . 5.500 5.542 5.515 5.559 0.059 10 0 "[ . 1 . 2]" 2
535 1 8 CYS H 1 13 GLU HB3 . . 4.770 4.700 4.599 4.784 0.014 1 0 "[ . 1 . 2]" 2
536 1 9 SER H 1 28 THR HB . . 4.720 4.570 4.401 4.717 . 0 0 "[ . 1 . 2]" 2
537 1 8 CYS HA 1 12 GLY H . . 4.660 4.551 4.483 4.599 . 0 0 "[ . 1 . 2]" 2
538 1 19 SER QB 1 21 LYS H . . 5.460 5.320 5.002 5.482 0.022 8 0 "[ . 1 . 2]" 2
539 1 22 LEU H 1 23 GLU HG3 . . 4.990 4.098 3.819 4.361 . 0 0 "[ . 1 . 2]" 2
540 1 31 GLU H 1 32 HIS HB3 . . 5.250 5.057 4.854 5.250 . 0 0 "[ . 1 . 2]" 2
541 1 34 PHE H 1 44 GLY H . . 5.500 5.507 5.468 5.532 0.032 2 0 "[ . 1 . 2]" 2
542 1 33 CYS HA 1 35 LEU H . . 5.130 4.929 4.807 4.990 . 0 0 "[ . 1 . 2]" 2
543 1 36 CYS H 1 41 GLN QG . . 5.310 5.075 4.888 5.178 . 0 0 "[ . 1 . 2]" 2
544 1 36 CYS H 1 43 LEU H . . 4.050 3.939 3.874 4.010 . 0 0 "[ . 1 . 2]" 2
545 1 38 GLY H 1 60 CYS HB2 . . 5.390 5.338 5.283 5.369 . 0 0 "[ . 1 . 2]" 2
546 1 39 CYS H 1 40 GLU QB . . 4.870 4.800 4.709 4.868 . 0 0 "[ . 1 . 2]" 2
547 1 39 CYS HB3 1 40 GLU H . . 4.440 4.383 4.363 4.400 . 0 0 "[ . 1 . 2]" 2
548 1 40 GLU H 1 41 GLN QG . . 4.890 4.520 4.222 4.706 . 0 0 "[ . 1 . 2]" 2
549 1 39 CYS HB2 1 41 GLN H . . 4.170 4.164 4.107 4.187 0.017 6 0 "[ . 1 . 2]" 2
550 1 39 CYS HB3 1 41 GLN H . . 4.990 4.892 4.840 4.942 . 0 0 "[ . 1 . 2]" 2
551 1 43 LEU H 1 44 GLY HA2 . . 4.920 4.858 4.760 4.952 0.032 1 0 "[ . 1 . 2]" 2
552 1 43 LEU H 1 44 GLY HA3 . . 4.980 4.877 4.771 4.979 . 0 0 "[ . 1 . 2]" 2
553 1 46 ARG H 1 47 SER H . . 4.760 4.545 4.461 4.634 . 0 0 "[ . 1 . 2]" 2
554 1 49 VAL H 1 50 PRO HD3 . . 4.800 4.251 4.175 4.315 . 0 0 "[ . 1 . 2]" 2
555 1 51 ASP HB3 1 52 LYS H . . 4.800 3.518 2.755 4.204 . 0 0 "[ . 1 . 2]" 2
556 1 51 ASP HB2 1 54 ALA H . . 5.420 5.129 4.807 5.421 0.001 20 0 "[ . 1 . 2]" 2
557 1 57 CYS HA 1 58 VAL H . . 2.850 2.457 2.403 2.512 . 0 0 "[ . 1 . 2]" 2
558 1 61 TYR H 1 62 GLU HG3 . . 4.540 4.440 4.347 4.519 . 0 0 "[ . 1 . 2]" 2
559 1 61 TYR H 1 62 GLU HB2 . . 4.460 4.405 4.350 4.449 . 0 0 "[ . 1 . 2]" 2
560 1 59 PRO HB2 1 61 TYR H . . 5.070 4.707 4.686 4.743 . 0 0 "[ . 1 . 2]" 2
561 1 64 LYS HB3 1 65 PHE H . . 3.950 3.425 2.723 3.927 . 0 0 "[ . 1 . 2]" 2
562 1 15 VAL MG2 1 22 LEU H . . 5.260 4.442 4.324 4.580 . 0 0 "[ . 1 . 2]" 2
563 1 28 THR H 1 29 TRP HZ2 . . 5.470 5.105 5.053 5.166 . 0 0 "[ . 1 . 2]" 2
564 1 23 GLU H 1 29 TRP H . . 5.190 4.575 4.480 4.690 . 0 0 "[ . 1 . 2]" 2
565 1 39 CYS H 1 57 CYS H . . 5.100 4.989 4.949 5.025 . 0 0 "[ . 1 . 2]" 2
566 1 35 LEU H 1 43 LEU H . . 5.020 4.753 4.711 4.797 . 0 0 "[ . 1 . 2]" 2
567 1 36 CYS HB3 1 43 LEU H . . 5.500 5.443 5.371 5.507 0.007 13 0 "[ . 1 . 2]" 2
568 1 35 LEU HB2 1 43 LEU H . . 5.430 5.333 5.281 5.378 . 0 0 "[ . 1 . 2]" 2
569 1 47 SER H 1 48 PHE QD . . 5.380 4.960 4.759 5.106 . 0 0 "[ . 1 . 2]" 2
570 1 46 ARG H 1 48 PHE QD . . 5.500 5.087 4.247 5.518 0.018 9 0 "[ . 1 . 2]" 2
571 1 36 CYS HA 1 55 HIS H . . 4.640 4.361 4.215 4.474 . 0 0 "[ . 1 . 2]" 2
572 1 54 ALA MB 1 56 TYR H . . 5.150 4.450 4.321 4.495 . 0 0 "[ . 1 . 2]" 2
573 1 49 VAL HA 1 56 TYR H . . 5.120 5.081 5.001 5.167 0.047 11 0 "[ . 1 . 2]" 2
574 1 49 VAL H 1 58 VAL H . . 5.240 4.737 4.590 4.859 . 0 0 "[ . 1 . 2]" 2
575 1 48 PHE HB3 1 58 VAL H . . 4.910 4.273 4.084 4.455 . 0 0 "[ . 1 . 2]" 2
576 1 65 PHE H 1 66 ALA MB . . 4.510 3.921 3.741 4.152 . 0 0 "[ . 1 . 2]" 2
577 1 64 LYS HB2 1 66 ALA H . . 5.500 5.310 5.127 5.430 . 0 0 "[ . 1 . 2]" 2
578 1 28 THR H 1 29 TRP HE1 . . 5.500 5.455 5.369 5.517 0.017 16 0 "[ . 1 . 2]" 2
579 1 12 GLY H 1 13 GLU HG3 . . 5.500 5.488 5.328 5.535 0.035 13 0 "[ . 1 . 2]" 2
580 1 21 LYS H 1 22 LEU MD2 . . 4.730 4.658 4.579 4.738 0.008 4 0 "[ . 1 . 2]" 2
581 1 31 GLU HB3 1 33 CYS H . . 5.270 5.110 5.090 5.149 . 0 0 "[ . 1 . 2]" 2
582 1 29 TRP HA 1 33 CYS H . . 5.500 5.558 5.524 5.599 0.099 19 0 "[ . 1 . 2]" 2
583 1 39 CYS H 1 60 CYS HB2 . . 5.050 5.018 4.976 5.072 0.022 13 0 "[ . 1 . 2]" 2
584 1 34 PHE QE 1 43 LEU H . . 5.150 4.916 4.770 5.012 . 0 0 "[ . 1 . 2]" 2
585 1 61 TYR QD 1 64 LYS H . . 5.500 5.468 5.375 5.524 0.024 18 0 "[ . 1 . 2]" 2
586 1 60 CYS HA 1 63 ASN HD21 . . 5.220 3.445 2.619 4.931 . 0 0 "[ . 1 . 2]" 2
587 1 63 ASN HA 1 63 ASN HD21 . . 4.910 4.266 3.119 4.515 . 0 0 "[ . 1 . 2]" 2
588 1 60 CYS HA 1 63 ASN HD22 . . 5.220 4.844 4.036 5.212 . 0 0 "[ . 1 . 2]" 2
589 1 63 ASN HA 1 63 ASN HD22 . . 4.910 4.636 3.802 4.956 0.046 7 0 "[ . 1 . 2]" 2
590 1 40 GLU QB 1 41 GLN HE21 . . 5.190 3.858 3.458 4.244 . 0 0 "[ . 1 . 2]" 2
591 1 41 GLN HA 1 41 GLN HE21 . . 4.830 2.737 2.261 3.589 . 0 0 "[ . 1 . 2]" 2
592 1 41 GLN QB 1 41 GLN HE22 . . 4.990 4.286 4.120 4.446 . 0 0 "[ . 1 . 2]" 2
593 1 41 GLN HA 1 41 GLN HE22 . . 4.830 3.167 2.863 3.636 . 0 0 "[ . 1 . 2]" 2
594 1 40 GLU QB 1 41 GLN HE22 . . 5.190 4.830 4.391 5.145 . 0 0 "[ . 1 . 2]" 2
595 1 9 SER HB2 1 27 GLN HE21 . . 5.090 3.069 1.890 4.797 . 0 0 "[ . 1 . 2]" 2
596 1 9 SER HB3 1 27 GLN HE21 . . 5.090 4.101 3.048 5.072 . 0 0 "[ . 1 . 2]" 2
597 1 64 LYS HG2 1 65 PHE H . . 4.450 2.896 2.549 3.381 . 0 0 "[ . 1 . 2]" 2
598 1 45 SER H 1 45 SER HB2 . . 4.080 3.248 2.570 3.827 . 0 0 "[ . 1 . 2]" 2
599 1 48 PHE HB2 1 58 VAL H . . 5.040 4.521 4.355 4.675 . 0 0 "[ . 1 . 2]" 2
600 1 59 PRO HG2 1 60 CYS H . . 3.630 1.858 1.842 1.879 . 0 0 "[ . 1 . 2]" 2
601 1 29 TRP H 1 29 TRP HD1 . . 5.270 5.228 5.200 5.256 . 0 0 "[ . 1 . 2]" 2
602 1 29 TRP HD1 1 34 PHE HA . . 4.190 4.130 4.061 4.190 . 0 0 "[ . 1 . 2]" 2
603 1 29 TRP HD1 1 34 PHE HB2 . . 5.090 4.962 4.796 5.099 0.009 13 0 "[ . 1 . 2]" 2
604 1 29 TRP HA 1 29 TRP HD1 . . 4.040 3.211 3.149 3.295 . 0 0 "[ . 1 . 2]" 2
605 1 29 TRP HD1 1 34 PHE QD . . 4.390 4.054 3.973 4.097 . 0 0 "[ . 1 . 2]" 2
606 1 29 TRP HD1 1 33 CYS HB3 . . 3.580 3.339 3.212 3.590 0.010 11 0 "[ . 1 . 2]" 2
607 1 29 TRP HB3 1 29 TRP HD1 . . 3.400 2.662 2.638 2.682 . 0 0 "[ . 1 . 2]" 2
608 1 29 TRP HD1 1 33 CYS HB2 . . 4.460 4.275 4.198 4.412 . 0 0 "[ . 1 . 2]" 2
609 1 29 TRP HB2 1 29 TRP HD1 . . 3.860 3.811 3.792 3.825 . 0 0 "[ . 1 . 2]" 2
610 1 49 VAL H 1 49 VAL MG1 . . 4.220 3.968 3.944 3.992 . 0 0 "[ . 1 . 2]" 2
611 1 49 VAL MG1 1 56 TYR QD . . 5.310 5.215 5.122 5.281 . 0 0 "[ . 1 . 2]" 2
612 1 49 VAL HA 1 49 VAL MG1 . . 2.890 2.169 2.091 2.308 . 0 0 "[ . 1 . 2]" 2
613 1 49 VAL MG1 1 50 PRO HD2 . . 3.120 2.225 2.116 2.440 . 0 0 "[ . 1 . 2]" 2
614 1 49 VAL MG1 1 61 TYR HB3 . . 4.670 4.106 4.008 4.223 . 0 0 "[ . 1 . 2]" 2
615 1 49 VAL MG1 1 61 TYR HB2 . . 4.390 3.815 3.769 3.879 . 0 0 "[ . 1 . 2]" 2
616 1 49 VAL MG1 1 51 ASP HB2 . . 4.080 3.914 3.757 3.984 . 0 0 "[ . 1 . 2]" 2
617 1 49 VAL MG1 1 50 PRO HG2 . . 4.150 3.641 3.532 3.785 . 0 0 "[ . 1 . 2]" 2
618 1 49 VAL MG1 1 50 PRO HG3 . . 4.630 4.560 4.495 4.653 0.023 7 0 "[ . 1 . 2]" 2
619 1 48 PHE HA 1 49 VAL H . . 2.970 2.625 2.614 2.630 . 0 0 "[ . 1 . 2]" 2
620 1 48 PHE HA 1 48 PHE QD . . 3.790 3.723 3.719 3.727 . 0 0 "[ . 1 . 2]" 2
621 1 47 SER HA 1 48 PHE HA . . 4.880 4.514 4.420 4.582 . 0 0 "[ . 1 . 2]" 2
622 1 48 PHE HA 1 49 VAL HA . . 5.220 4.507 4.482 4.534 . 0 0 "[ . 1 . 2]" 2
623 1 48 PHE HA 1 57 CYS HB2 . . 4.850 4.021 3.915 4.166 . 0 0 "[ . 1 . 2]" 2
624 1 48 PHE HA 1 57 CYS HB3 . . 5.030 4.246 4.173 4.377 . 0 0 "[ . 1 . 2]" 2
625 1 48 PHE HA 1 61 TYR HB2 . . 5.500 4.892 4.743 5.018 . 0 0 "[ . 1 . 2]" 2
626 1 48 PHE HA 1 48 PHE HB3 . . 2.940 2.496 2.479 2.513 . 0 0 "[ . 1 . 2]" 2
627 1 48 PHE HA 1 48 PHE HB2 . . 2.960 2.414 2.398 2.431 . 0 0 "[ . 1 . 2]" 2
628 1 48 PHE HA 1 49 VAL HB . . 4.930 4.895 4.846 4.925 . 0 0 "[ . 1 . 2]" 2
629 1 43 LEU MD2 1 48 PHE HA . . 4.100 4.012 3.926 4.104 0.004 7 0 "[ . 1 . 2]" 2
630 1 48 PHE HA 1 49 VAL MG2 . . 3.760 3.109 2.997 3.168 . 0 0 "[ . 1 . 2]" 2
631 1 43 LEU MD1 1 48 PHE HA . . 4.220 3.841 3.603 4.104 . 0 0 "[ . 1 . 2]" 2
632 1 62 GLU HA 1 63 ASN HA . . 5.300 4.707 4.660 4.752 . 0 0 "[ . 1 . 2]" 2
633 1 63 ASN HA 1 64 LYS HA . . 5.500 4.767 4.726 4.791 . 0 0 "[ . 1 . 2]" 2
634 1 62 GLU HB3 1 63 ASN HA . . 4.840 4.479 4.428 4.542 . 0 0 "[ . 1 . 2]" 2
635 1 43 LEU HA 1 44 GLY HA3 . . 5.190 5.057 4.975 5.124 . 0 0 "[ . 1 . 2]" 2
636 1 49 VAL H 1 49 VAL MG2 . . 3.210 2.737 2.623 2.807 . 0 0 "[ . 1 . 2]" 2
637 1 49 VAL MG2 1 58 VAL H . . 4.420 4.071 3.990 4.133 . 0 0 "[ . 1 . 2]" 2
638 1 49 VAL MG2 1 61 TYR QD . . 3.400 2.367 2.103 2.685 . 0 0 "[ . 1 . 2]" 2
639 1 49 VAL HA 1 49 VAL MG2 . . 2.960 2.497 2.462 2.550 . 0 0 "[ . 1 . 2]" 2
640 1 49 VAL MG2 1 58 VAL HA . . 3.160 2.708 2.668 2.757 . 0 0 "[ . 1 . 2]" 2
641 1 49 VAL MG2 1 61 TYR HB3 . . 3.570 2.204 2.041 2.352 . 0 0 "[ . 1 . 2]" 2
642 1 49 VAL MG2 1 61 TYR HB2 . . 3.630 2.389 2.324 2.497 . 0 0 "[ . 1 . 2]" 2
643 1 49 VAL MG2 1 56 TYR HB2 . . 4.440 4.360 4.323 4.388 . 0 0 "[ . 1 . 2]" 2
644 1 48 PHE HB2 1 49 VAL MG2 . . 4.600 4.191 4.116 4.246 . 0 0 "[ . 1 . 2]" 2
645 1 49 VAL MG2 1 58 VAL HB . . 5.480 5.109 5.070 5.140 . 0 0 "[ . 1 . 2]" 2
646 1 49 VAL MG2 1 62 GLU HG2 . . 5.500 4.715 4.479 4.916 . 0 0 "[ . 1 . 2]" 2
647 1 24 TYR H 1 29 TRP HH2 . . 4.910 3.999 3.917 4.274 . 0 0 "[ . 1 . 2]" 2
648 1 29 TRP HH2 1 34 PHE QE . . 4.780 4.334 4.214 4.535 . 0 0 "[ . 1 . 2]" 2
649 1 24 TYR HB2 1 29 TRP HH2 . . 4.460 3.817 3.722 3.967 . 0 0 "[ . 1 . 2]" 2
650 1 24 TYR HB3 1 29 TRP HH2 . . 4.470 4.315 4.236 4.492 0.022 11 0 "[ . 1 . 2]" 2
651 1 27 GLN HG2 1 29 TRP HH2 . . 4.880 4.275 3.810 4.874 . 0 0 "[ . 1 . 2]" 2
652 1 27 GLN HG3 1 29 TRP HH2 . . 4.880 3.822 3.240 4.609 . 0 0 "[ . 1 . 2]" 2
653 1 27 GLN HB2 1 29 TRP HH2 . . 3.570 2.088 1.994 2.185 . 0 0 "[ . 1 . 2]" 2
654 1 27 GLN HB3 1 29 TRP HH2 . . 3.990 3.188 2.845 3.472 . 0 0 "[ . 1 . 2]" 2
655 1 42 PRO HA 1 43 LEU HA . . 4.610 4.497 4.478 4.517 . 0 0 "[ . 1 . 2]" 2
656 1 43 LEU HA 1 48 PHE HB3 . . 4.720 4.489 4.363 4.572 . 0 0 "[ . 1 . 2]" 2
657 1 43 LEU HA 1 46 ARG QB . . 3.980 3.072 2.017 4.035 0.055 20 0 "[ . 1 . 2]" 2
658 1 43 LEU HA 1 46 ARG HG2 . . 4.230 3.011 1.986 4.236 0.006 4 0 "[ . 1 . 2]" 2
659 1 43 LEU HA 1 46 ARG HG3 . . 4.230 2.166 1.955 2.727 . 0 0 "[ . 1 . 2]" 2
660 1 43 LEU HA 1 43 LEU HG . . 3.560 3.309 3.276 3.357 . 0 0 "[ . 1 . 2]" 2
661 1 43 LEU HA 1 43 LEU MD1 . . 4.060 3.901 3.857 3.942 . 0 0 "[ . 1 . 2]" 2
662 1 22 LEU MD2 1 23 GLU HA . . 5.130 4.839 4.823 4.853 . 0 0 "[ . 1 . 2]" 2
663 1 23 GLU HA 1 29 TRP HZ3 . . 4.110 3.549 3.436 3.726 . 0 0 "[ . 1 . 2]" 2
664 1 23 GLU HA 1 28 THR HA . . 3.120 2.192 2.040 2.349 . 0 0 "[ . 1 . 2]" 2
665 1 23 GLU HA 1 23 GLU HG2 . . 3.430 2.519 2.265 2.666 . 0 0 "[ . 1 . 2]" 2
666 1 21 LYS HA 1 22 LEU MD2 . . 4.850 4.851 4.809 4.882 0.032 7 0 "[ . 1 . 2]" 2
667 1 27 GLN HA 1 28 THR HA . . 4.760 4.526 4.512 4.541 . 0 0 "[ . 1 . 2]" 2
668 1 27 GLN HA 1 27 GLN HG3 . . 3.720 3.227 2.403 3.668 . 0 0 "[ . 1 . 2]" 2
669 1 15 VAL MG2 1 30 HIS HA . . 3.960 3.297 3.078 3.581 . 0 0 "[ . 1 . 2]" 2
670 1 15 VAL HA 1 15 VAL MG2 . . 2.970 2.457 2.369 2.517 . 0 0 "[ . 1 . 2]" 2
671 1 15 VAL MG2 1 21 LYS QB . . 4.030 3.470 3.293 3.592 . 0 0 "[ . 1 . 2]" 2
672 1 15 VAL MG2 1 21 LYS QD . . 4.480 3.922 3.754 4.090 . 0 0 "[ . 1 . 2]" 2
673 1 15 VAL MG2 1 28 THR MG . . 3.150 2.148 1.936 2.486 . 0 0 "[ . 1 . 2]" 2
674 1 63 ASN HA 1 66 ALA MB . . 3.650 2.467 2.056 3.601 . 0 0 "[ . 1 . 2]" 2
675 1 66 ALA MB 1 67 SER QB . . 5.500 4.176 3.233 4.921 . 0 0 "[ . 1 . 2]" 2
676 1 27 GLN HB2 1 29 TRP HZ3 . . 3.700 3.184 3.011 3.402 . 0 0 "[ . 1 . 2]" 2
677 1 35 LEU HA 1 42 PRO HB2 . . 5.210 5.166 5.080 5.215 0.005 19 0 "[ . 1 . 2]" 2
678 1 35 LEU HA 1 36 CYS HB2 . . 4.770 4.631 4.616 4.651 . 0 0 "[ . 1 . 2]" 2
679 1 35 LEU HA 1 35 LEU MD2 . . 3.110 2.504 2.368 2.579 . 0 0 "[ . 1 . 2]" 2
680 1 16 MET ME 1 17 PRO HD3 . . 5.280 3.438 2.118 4.595 . 0 0 "[ . 1 . 2]" 2
681 1 16 MET ME 1 17 PRO HD2 . . 3.580 3.055 2.029 3.580 0.000 9 0 "[ . 1 . 2]" 2
682 1 14 THR MG 1 16 MET ME . . 3.820 2.600 1.831 3.625 . 0 0 "[ . 1 . 2]" 2
683 1 49 VAL MG2 1 50 PRO HD2 . . 4.130 3.976 3.928 4.035 . 0 0 "[ . 1 . 2]" 2
684 1 48 PHE QD 1 50 PRO HD3 . . 3.850 3.341 3.042 3.558 . 0 0 "[ . 1 . 2]" 2
685 1 49 VAL HB 1 50 PRO HD3 . . 5.070 5.009 4.988 5.024 . 0 0 "[ . 1 . 2]" 2
686 1 49 VAL MG2 1 50 PRO HD3 . . 4.660 4.478 4.447 4.509 . 0 0 "[ . 1 . 2]" 2
687 1 49 VAL MG1 1 50 PRO HD3 . . 3.710 3.612 3.541 3.719 0.009 18 0 "[ . 1 . 2]" 2
688 1 29 TRP HE3 1 34 PHE QD . . 4.700 2.999 2.832 3.296 . 0 0 "[ . 1 . 2]" 2
689 1 23 GLU HA 1 29 TRP HE3 . . 4.050 3.297 3.222 3.427 . 0 0 "[ . 1 . 2]" 2
690 1 28 THR HA 1 29 TRP HE3 . . 3.570 3.256 3.052 3.415 . 0 0 "[ . 1 . 2]" 2
691 1 24 TYR HB2 1 29 TRP HE3 . . 4.790 3.599 3.507 3.737 . 0 0 "[ . 1 . 2]" 2
692 1 24 TYR HB3 1 29 TRP HE3 . . 5.470 5.312 5.215 5.451 . 0 0 "[ . 1 . 2]" 2
693 1 29 TRP HB2 1 29 TRP HE3 . . 3.580 2.578 2.549 2.618 . 0 0 "[ . 1 . 2]" 2
694 1 29 TRP HE3 1 34 PHE HB2 . . 4.770 4.309 4.182 4.407 . 0 0 "[ . 1 . 2]" 2
695 1 22 LEU HB2 1 29 TRP HE3 . . 4.020 3.985 3.880 4.035 0.015 18 0 "[ . 1 . 2]" 2
696 1 16 MET HA 1 17 PRO HD3 . . 2.650 2.289 2.264 2.307 . 0 0 "[ . 1 . 2]" 2
697 1 14 THR MG 1 17 PRO HD3 . . 5.300 5.025 4.638 5.273 . 0 0 "[ . 1 . 2]" 2
698 1 41 GLN H 1 42 PRO HD3 . . 5.020 4.981 4.962 5.006 . 0 0 "[ . 1 . 2]" 2
699 1 41 GLN HA 1 42 PRO HD3 . . 2.640 2.263 2.256 2.274 . 0 0 "[ . 1 . 2]" 2
700 1 41 GLN QG 1 42 PRO HD3 . . 4.620 4.578 4.506 4.634 0.014 6 0 "[ . 1 . 2]" 2
701 1 16 MET HA 1 17 PRO HD2 . . 2.780 2.368 2.278 2.418 . 0 0 "[ . 1 . 2]" 2
702 1 41 GLN HA 1 42 PRO HD2 . . 2.980 2.279 2.247 2.325 . 0 0 "[ . 1 . 2]" 2
703 1 16 MET HG3 1 17 PRO HD2 . . 4.680 4.341 4.133 4.632 . 0 0 "[ . 1 . 2]" 2
704 1 41 GLN QG 1 42 PRO HD2 . . 3.910 3.638 3.499 3.814 . 0 0 "[ . 1 . 2]" 2
705 1 35 LEU MD2 1 42 PRO HD2 . . 4.170 3.950 3.832 4.024 . 0 0 "[ . 1 . 2]" 2
706 1 37 SER HB3 1 54 ALA HA . . 4.890 4.064 3.926 4.228 . 0 0 "[ . 1 . 2]" 2
707 1 32 HIS HA 1 32 HIS HD2 . . 4.780 4.416 4.294 4.560 . 0 0 "[ . 1 . 2]" 2
708 1 32 HIS HD2 1 33 CYS HA . . 4.570 3.485 3.325 3.911 . 0 0 "[ . 1 . 2]" 2
709 1 32 HIS HB3 1 32 HIS HD2 . . 3.930 3.916 3.879 3.933 0.003 8 0 "[ . 1 . 2]" 2
710 1 58 VAL HB 1 59 PRO HD2 . . 3.240 2.583 2.560 2.597 . 0 0 "[ . 1 . 2]" 2
711 1 58 VAL MG1 1 59 PRO HD2 . . 4.000 3.415 3.387 3.445 . 0 0 "[ . 1 . 2]" 2
712 1 58 VAL H 1 59 PRO HD3 . . 3.540 3.301 3.228 3.363 . 0 0 "[ . 1 . 2]" 2
713 1 57 CYS HB2 1 59 PRO HD3 . . 3.710 3.407 3.379 3.432 . 0 0 "[ . 1 . 2]" 2
714 1 57 CYS HB3 1 59 PRO HD3 . . 5.120 5.135 5.117 5.160 0.040 3 0 "[ . 1 . 2]" 2
715 1 58 VAL HB 1 59 PRO HD3 . . 2.630 1.927 1.910 1.939 . 0 0 "[ . 1 . 2]" 2
716 1 16 MET H 1 30 HIS HD2 . . 4.830 4.691 4.317 4.842 0.012 13 0 "[ . 1 . 2]" 2
717 1 30 HIS HA 1 30 HIS HD2 . . 3.540 2.816 2.728 2.930 . 0 0 "[ . 1 . 2]" 2
718 1 15 VAL HA 1 30 HIS HD2 . . 3.940 3.722 3.561 3.955 0.015 11 0 "[ . 1 . 2]" 2
719 1 30 HIS HB3 1 30 HIS HD2 . . 3.500 2.994 2.942 3.037 . 0 0 "[ . 1 . 2]" 2
720 1 15 VAL MG1 1 30 HIS HD2 . . 3.850 2.856 2.476 3.480 . 0 0 "[ . 1 . 2]" 2
721 1 15 VAL MG2 1 30 HIS HD2 . . 3.850 3.241 2.818 3.454 . 0 0 "[ . 1 . 2]" 2
722 1 24 TYR QE 1 34 PHE QE . . 4.460 4.152 4.021 4.313 . 0 0 "[ . 1 . 2]" 2
723 1 24 TYR QE 1 50 PRO HD2 . . 5.500 4.957 4.516 5.413 . 0 0 "[ . 1 . 2]" 2
724 1 24 TYR QE 1 50 PRO HG3 . . 4.280 3.377 2.700 3.840 . 0 0 "[ . 1 . 2]" 2
725 1 22 LEU HB3 1 24 TYR QE . . 4.100 3.990 3.888 4.035 . 0 0 "[ . 1 . 2]" 2
726 1 22 LEU MD2 1 24 TYR QE . . 3.900 2.461 2.348 2.570 . 0 0 "[ . 1 . 2]" 2
727 1 56 TYR QD 1 61 TYR QE . . 4.910 4.689 4.422 4.875 . 0 0 "[ . 1 . 2]" 2
728 1 61 TYR QE 1 62 GLU HA . . 4.890 4.714 4.464 4.845 . 0 0 "[ . 1 . 2]" 2
729 1 61 TYR QE 1 65 PHE HB3 . . 5.400 5.139 4.917 5.242 . 0 0 "[ . 1 . 2]" 2
730 1 51 ASP HB2 1 61 TYR QE . . 3.450 3.030 2.778 3.214 . 0 0 "[ . 1 . 2]" 2
731 1 61 TYR QE 1 62 GLU HG2 . . 5.000 4.309 4.010 4.566 . 0 0 "[ . 1 . 2]" 2
732 1 49 VAL HB 1 61 TYR QE . . 4.530 3.673 3.559 3.787 . 0 0 "[ . 1 . 2]" 2
733 1 49 VAL MG2 1 61 TYR QE . . 3.960 3.276 3.066 3.469 . 0 0 "[ . 1 . 2]" 2
734 1 49 VAL MG1 1 61 TYR QE . . 3.350 2.476 2.360 2.606 . 0 0 "[ . 1 . 2]" 2
735 1 56 TYR H 1 56 TYR QE . . 4.920 4.909 4.855 4.945 0.025 16 0 "[ . 1 . 2]" 2
736 1 38 GLY HA2 1 56 TYR QE . . 3.690 3.192 3.060 3.274 . 0 0 "[ . 1 . 2]" 2
737 1 38 GLY HA3 1 56 TYR QE . . 3.700 3.394 3.266 3.463 . 0 0 "[ . 1 . 2]" 2
738 1 37 SER HB2 1 56 TYR QE . . 3.870 3.575 2.923 3.920 0.050 6 0 "[ . 1 . 2]" 2
739 1 56 TYR QE 1 60 CYS HB3 . . 4.550 4.307 4.287 4.328 . 0 0 "[ . 1 . 2]" 2
740 1 37 SER HB3 1 56 TYR QE . . 3.870 2.661 2.290 3.312 . 0 0 "[ . 1 . 2]" 2
741 1 54 ALA MB 1 56 TYR QE . . 2.960 2.053 1.939 2.282 . 0 0 "[ . 1 . 2]" 2
742 1 56 TYR QE 1 64 LYS HD3 . . 4.260 3.613 3.145 3.936 . 0 0 "[ . 1 . 2]" 2
743 1 34 PHE QD 1 44 GLY HA3 . . 4.700 4.132 3.939 4.320 . 0 0 "[ . 1 . 2]" 2
744 1 31 GLU QG 1 44 GLY HA3 . . 4.080 2.460 2.286 2.675 . 0 0 "[ . 1 . 2]" 2
745 1 44 GLY HA3 1 46 ARG H . . 5.180 4.818 4.343 5.185 0.005 2 0 "[ . 1 . 2]" 2
746 1 22 LEU MD1 1 44 GLY HA3 . . 3.870 3.165 2.988 3.329 . 0 0 "[ . 1 . 2]" 2
747 1 34 PHE QD 1 44 GLY HA2 . . 4.500 3.006 2.836 3.202 . 0 0 "[ . 1 . 2]" 2
748 1 31 GLU QG 1 44 GLY HA2 . . 4.050 3.546 3.232 3.801 . 0 0 "[ . 1 . 2]" 2
749 1 8 CYS HB3 1 12 GLY HA2 . . 4.670 3.634 3.520 3.740 . 0 0 "[ . 1 . 2]" 2
750 1 38 GLY HA2 1 60 CYS HB3 . . 5.190 4.952 4.897 5.003 . 0 0 "[ . 1 . 2]" 2
751 1 38 GLY HA3 1 60 CYS HB2 . . 4.450 4.466 4.429 4.505 0.055 20 0 "[ . 1 . 2]" 2
752 1 35 LEU HB2 1 40 GLU QB . . 4.800 4.478 4.318 4.629 . 0 0 "[ . 1 . 2]" 2
753 1 35 LEU H 1 35 LEU HB3 . . 4.110 3.782 3.746 3.808 . 0 0 "[ . 1 . 2]" 2
754 1 35 LEU HB3 1 40 GLU QB . . 4.410 3.830 3.665 3.931 . 0 0 "[ . 1 . 2]" 2
755 1 35 LEU HB3 1 35 LEU MD2 . . 3.430 2.116 2.067 2.217 . 0 0 "[ . 1 . 2]" 2
756 1 22 LEU HB2 1 23 GLU H . . 4.120 4.091 4.039 4.130 0.010 14 0 "[ . 1 . 2]" 2
757 1 22 LEU HB2 1 24 TYR QE . . 5.500 5.467 5.365 5.520 0.020 11 0 "[ . 1 . 2]" 2
758 1 22 LEU HB3 1 29 TRP H . . 4.700 3.501 3.419 3.586 . 0 0 "[ . 1 . 2]" 2
759 1 22 LEU H 1 22 LEU HB3 . . 3.810 3.624 3.581 3.656 . 0 0 "[ . 1 . 2]" 2
760 1 22 LEU HB3 1 31 GLU HA . . 5.500 5.505 5.356 5.547 0.047 17 0 "[ . 1 . 2]" 2
761 1 22 LEU HB3 1 44 GLY HA2 . . 5.500 4.954 4.730 5.157 . 0 0 "[ . 1 . 2]" 2
762 1 22 LEU HB3 1 29 TRP HB3 . . 5.480 5.059 4.977 5.163 . 0 0 "[ . 1 . 2]" 2
763 1 22 LEU HB3 1 29 TRP HB2 . . 3.940 3.413 3.336 3.500 . 0 0 "[ . 1 . 2]" 2
764 1 22 LEU HB3 1 34 PHE HB2 . . 4.700 3.706 3.636 3.801 . 0 0 "[ . 1 . 2]" 2
765 1 22 LEU HB3 1 22 LEU MD1 . . 3.480 2.162 2.128 2.201 . 0 0 "[ . 1 . 2]" 2
766 1 7 GLY HA2 1 8 CYS HB2 . . 4.660 4.474 4.441 4.500 . 0 0 "[ . 1 . 2]" 2
767 1 7 GLY HA2 1 14 THR MG . . 4.510 3.356 3.177 3.627 . 0 0 "[ . 1 . 2]" 2
768 1 7 GLY HA3 1 8 CYS H . . 3.560 2.842 2.764 2.941 . 0 0 "[ . 1 . 2]" 2
769 1 7 GLY HA3 1 14 THR MG . . 4.740 4.243 3.994 4.515 . 0 0 "[ . 1 . 2]" 2
770 1 29 TRP HZ2 1 55 HIS HE1 . . 3.990 3.471 3.148 3.806 . 0 0 "[ . 1 . 2]" 2
771 1 27 GLN HB2 1 29 TRP HZ2 . . 4.410 3.233 2.999 3.407 . 0 0 "[ . 1 . 2]" 2
772 1 27 GLN HB3 1 29 TRP HZ2 . . 4.650 3.219 3.068 3.329 . 0 0 "[ . 1 . 2]" 2
773 1 29 TRP HZ2 1 34 PHE QE . . 4.910 4.884 4.814 4.923 0.013 16 0 "[ . 1 . 2]" 2
774 1 51 ASP H 1 51 ASP HB3 . . 3.730 3.018 2.754 3.249 . 0 0 "[ . 1 . 2]" 2
775 1 51 ASP HB3 1 56 TYR QE . . 3.380 2.838 2.695 2.971 . 0 0 "[ . 1 . 2]" 2
776 1 51 ASP HB3 1 61 TYR QE . . 4.640 4.466 4.167 4.661 0.021 10 0 "[ . 1 . 2]" 2
777 1 49 VAL MG1 1 51 ASP HB3 . . 5.500 5.409 5.297 5.477 . 0 0 "[ . 1 . 2]" 2
778 1 51 ASP H 1 51 ASP HB2 . . 3.830 2.929 2.582 3.287 . 0 0 "[ . 1 . 2]" 2
779 1 51 ASP HB2 1 56 TYR QE . . 4.350 4.081 3.836 4.342 . 0 0 "[ . 1 . 2]" 2
780 1 56 TYR HB3 1 57 CYS H . . 3.750 3.211 3.175 3.257 . 0 0 "[ . 1 . 2]" 2
781 1 56 TYR HB3 1 61 TYR H . . 3.660 3.332 3.264 3.386 . 0 0 "[ . 1 . 2]" 2
782 1 56 TYR HB3 1 61 TYR QD . . 4.380 4.180 4.066 4.268 . 0 0 "[ . 1 . 2]" 2
783 1 56 TYR HB3 1 61 TYR HB3 . . 4.520 4.490 4.453 4.529 0.009 2 0 "[ . 1 . 2]" 2
784 1 56 TYR HB3 1 60 CYS HB3 . . 3.270 1.973 1.963 1.985 . 0 0 "[ . 1 . 2]" 2
785 1 49 VAL MG2 1 56 TYR HB3 . . 5.200 5.054 5.000 5.092 . 0 0 "[ . 1 . 2]" 2
786 1 56 TYR HB2 1 57 CYS H . . 4.240 4.161 4.134 4.191 . 0 0 "[ . 1 . 2]" 2
787 1 49 VAL H 1 56 TYR HB2 . . 4.490 4.048 3.952 4.128 . 0 0 "[ . 1 . 2]" 2
788 1 55 HIS HA 1 56 TYR HB2 . . 4.850 4.643 4.633 4.651 . 0 0 "[ . 1 . 2]" 2
789 1 56 TYR HB2 1 61 TYR HB3 . . 4.370 4.221 4.155 4.272 . 0 0 "[ . 1 . 2]" 2
790 1 56 TYR HB2 1 61 TYR HB2 . . 3.270 2.541 2.481 2.588 . 0 0 "[ . 1 . 2]" 2
791 1 49 VAL MG1 1 56 TYR HB2 . . 4.860 4.859 4.783 4.919 0.059 14 0 "[ . 1 . 2]" 2
792 1 48 PHE HB2 1 56 TYR HB3 . . 5.500 5.569 5.532 5.604 0.104 5 0 "[ . 1 . 2]" 2
793 1 43 LEU HB3 1 44 GLY H . . 4.540 4.408 4.362 4.466 . 0 0 "[ . 1 . 2]" 2
794 1 43 LEU H 1 43 LEU HB3 . . 3.650 3.607 3.595 3.621 . 0 0 "[ . 1 . 2]" 2
795 1 34 PHE QD 1 43 LEU HB3 . . 4.090 3.830 3.753 3.891 . 0 0 "[ . 1 . 2]" 2
796 1 35 LEU HA 1 43 LEU HB3 . . 5.500 5.474 5.378 5.524 0.024 2 0 "[ . 1 . 2]" 2
797 1 43 LEU HB2 1 48 PHE QD . . 4.940 3.757 3.593 4.043 . 0 0 "[ . 1 . 2]" 2
798 1 43 LEU HB2 1 48 PHE HB3 . . 4.630 3.969 3.854 4.092 . 0 0 "[ . 1 . 2]" 2
799 1 20 ARG HA 1 20 ARG HD2 . . 4.300 3.686 2.421 4.312 0.012 15 0 "[ . 1 . 2]" 2
800 1 20 ARG QB 1 20 ARG HD2 . . 3.410 3.056 2.057 3.430 0.020 8 0 "[ . 1 . 2]" 2
801 1 20 ARG HA 1 20 ARG HD3 . . 4.300 3.418 2.049 4.327 0.027 4 0 "[ . 1 . 2]" 2
802 1 20 ARG QB 1 20 ARG HD3 . . 3.410 2.467 2.045 3.388 . 0 0 "[ . 1 . 2]" 2
803 1 48 PHE HB3 1 56 TYR H . . 5.500 5.498 5.384 5.566 0.066 2 0 "[ . 1 . 2]" 2
804 1 47 SER HA 1 48 PHE HB3 . . 4.840 4.325 4.256 4.440 . 0 0 "[ . 1 . 2]" 2
805 1 48 PHE HB3 1 55 HIS HB3 . . 4.830 4.790 4.620 4.898 0.068 10 0 "[ . 1 . 2]" 2
806 1 43 LEU HG 1 48 PHE HB3 . . 4.580 4.412 4.292 4.526 . 0 0 "[ . 1 . 2]" 2
807 1 43 LEU HB3 1 48 PHE HB3 . . 4.170 2.612 2.486 2.712 . 0 0 "[ . 1 . 2]" 2
808 1 43 LEU MD2 1 48 PHE HB3 . . 3.490 2.466 2.243 2.658 . 0 0 "[ . 1 . 2]" 2
809 1 48 PHE HB2 1 49 VAL HA . . 4.920 4.548 4.503 4.589 . 0 0 "[ . 1 . 2]" 2
810 1 48 PHE HB2 1 55 HIS HB3 . . 4.510 3.885 3.702 4.000 . 0 0 "[ . 1 . 2]" 2
811 1 48 PHE HB2 1 55 HIS HB2 . . 5.330 5.021 4.774 5.262 . 0 0 "[ . 1 . 2]" 2
812 1 43 LEU HB3 1 48 PHE HB2 . . 4.620 3.989 3.866 4.069 . 0 0 "[ . 1 . 2]" 2
813 1 21 LYS QE 1 23 GLU HG3 . . 4.210 2.980 1.848 3.778 . 0 0 "[ . 1 . 2]" 2
814 1 15 VAL HB 1 21 LYS QE . . 5.500 5.097 4.296 5.491 . 0 0 "[ . 1 . 2]" 2
815 1 21 LYS QE 1 23 GLU HB2 . . 5.500 4.681 3.634 5.498 . 0 0 "[ . 1 . 2]" 2
816 1 21 LYS QB 1 21 LYS QE . . 3.760 3.513 2.515 3.675 . 0 0 "[ . 1 . 2]" 2
817 1 21 LYS QE 1 21 LYS HG2 . . 3.290 2.560 2.260 3.373 0.083 17 0 "[ . 1 . 2]" 2
818 1 21 LYS QE 1 21 LYS HG3 . . 3.260 2.453 2.205 2.977 . 0 0 "[ . 1 . 2]" 2
819 1 52 LYS QB 1 52 LYS QE . . 3.710 3.140 2.055 3.723 0.013 17 0 "[ . 1 . 2]" 2
820 1 52 LYS QE 1 52 LYS HG2 . . 3.640 2.759 2.202 3.511 . 0 0 "[ . 1 . 2]" 2
821 1 52 LYS QE 1 52 LYS HG3 . . 3.640 2.575 2.112 3.456 . 0 0 "[ . 1 . 2]" 2
822 1 64 LYS HE2 1 65 PHE QE . . 5.290 3.447 2.410 4.627 . 0 0 "[ . 1 . 2]" 2
823 1 56 TYR QE 1 64 LYS HE2 . . 4.840 3.672 2.195 4.674 . 0 0 "[ . 1 . 2]" 2
824 1 56 TYR QE 1 64 LYS HE3 . . 4.840 4.080 3.037 4.778 . 0 0 "[ . 1 . 2]" 2
825 1 24 TYR HB2 1 29 TRP HZ3 . . 3.600 2.068 1.986 2.217 . 0 0 "[ . 1 . 2]" 2
826 1 24 TYR HB2 1 48 PHE HZ . . 4.420 4.182 3.783 4.386 . 0 0 "[ . 1 . 2]" 2
827 1 23 GLU HA 1 24 TYR HB2 . . 4.950 4.334 4.314 4.351 . 0 0 "[ . 1 . 2]" 2
828 1 22 LEU MD1 1 24 TYR HB2 . . 5.050 4.956 4.899 4.999 . 0 0 "[ . 1 . 2]" 2
829 1 24 TYR HB3 1 29 TRP HZ3 . . 3.520 3.360 3.277 3.528 0.008 13 0 "[ . 1 . 2]" 2
830 1 24 TYR HB3 1 48 PHE HZ . . 4.710 4.493 4.060 4.707 . 0 0 "[ . 1 . 2]" 2
831 1 63 ASN HB3 1 64 LYS H . . 3.930 2.878 2.423 3.481 . 0 0 "[ . 1 . 2]" 2
832 1 62 GLU HA 1 65 PHE HB2 . . 4.560 3.043 2.896 3.203 . 0 0 "[ . 1 . 2]" 2
833 1 61 TYR QE 1 65 PHE HB2 . . 4.570 4.527 4.386 4.585 0.015 7 0 "[ . 1 . 2]" 2
834 1 61 TYR HA 1 65 PHE HB2 . . 4.880 4.805 4.585 4.886 0.006 10 0 "[ . 1 . 2]" 2
835 1 61 TYR HB3 1 62 GLU HG2 . . 4.950 4.284 4.079 4.391 . 0 0 "[ . 1 . 2]" 2
836 1 58 VAL MG1 1 61 TYR HB3 . . 4.560 4.449 4.424 4.484 . 0 0 "[ . 1 . 2]" 2
837 1 56 TYR QD 1 61 TYR HB2 . . 4.530 4.304 4.259 4.351 . 0 0 "[ . 1 . 2]" 2
838 1 58 VAL HA 1 61 TYR HB2 . . 4.220 4.220 4.187 4.239 0.019 18 0 "[ . 1 . 2]" 2
839 1 56 TYR HB3 1 61 TYR HB2 . . 3.650 3.212 3.180 3.246 . 0 0 "[ . 1 . 2]" 2
840 1 33 CYS H 1 34 PHE HB3 . . 4.810 4.676 4.604 4.758 . 0 0 "[ . 1 . 2]" 2
841 1 34 PHE HB3 1 44 GLY HA2 . . 4.830 3.351 3.028 3.762 . 0 0 "[ . 1 . 2]" 2
842 1 29 TRP HB3 1 34 PHE HB3 . . 4.310 4.141 4.026 4.311 0.001 19 0 "[ . 1 . 2]" 2
843 1 29 TRP HB2 1 34 PHE HB3 . . 4.050 3.863 3.743 3.966 . 0 0 "[ . 1 . 2]" 2
844 1 22 LEU HB2 1 34 PHE HB3 . . 4.720 3.680 3.571 3.765 . 0 0 "[ . 1 . 2]" 2
845 1 34 PHE HB2 1 35 LEU H . . 4.570 4.576 4.561 4.586 0.016 7 0 "[ . 1 . 2]" 2
846 1 31 GLU HA 1 34 PHE HB2 . . 4.350 4.229 4.102 4.366 0.016 7 0 "[ . 1 . 2]" 2
847 1 22 LEU HB2 1 34 PHE HB2 . . 4.510 2.860 2.797 2.922 . 0 0 "[ . 1 . 2]" 2
848 1 61 TYR HB3 1 62 GLU HG3 . . 4.600 3.448 3.360 3.567 . 0 0 "[ . 1 . 2]" 2
849 1 62 GLU HG2 1 63 ASN H . . 5.250 5.013 4.963 5.059 . 0 0 "[ . 1 . 2]" 2
850 1 59 PRO HA 1 62 GLU HG2 . . 5.500 5.418 5.230 5.497 . 0 0 "[ . 1 . 2]" 2
851 1 58 VAL MG1 1 62 GLU HG2 . . 4.300 4.258 4.177 4.304 0.004 4 0 "[ . 1 . 2]" 2
852 1 40 GLU HA 1 40 GLU HG3 . . 3.610 2.590 2.232 2.893 . 0 0 "[ . 1 . 2]" 2
853 1 22 LEU HG 1 31 GLU QG . . 4.150 3.716 3.607 3.853 . 0 0 "[ . 1 . 2]" 2
854 1 22 LEU MD1 1 31 GLU QG . . 4.540 4.203 4.130 4.289 . 0 0 "[ . 1 . 2]" 2
855 1 31 GLU H 1 31 GLU QG . . 3.960 3.854 3.801 3.986 0.026 11 0 "[ . 1 . 2]" 2
856 1 31 GLU HB2 1 31 GLU QG . . 2.740 2.240 2.142 2.472 . 0 0 "[ . 1 . 2]" 2
857 1 21 LYS QE 1 23 GLU HG2 . . 4.620 3.847 2.822 4.504 . 0 0 "[ . 1 . 2]" 2
858 1 23 GLU HG2 1 28 THR HA . . 3.960 2.571 2.186 2.925 . 0 0 "[ . 1 . 2]" 2
859 1 23 GLU HG3 1 24 TYR H . . 5.500 5.303 5.185 5.404 . 0 0 "[ . 1 . 2]" 2
860 1 23 GLU H 1 23 GLU HG3 . . 3.930 3.260 3.073 3.718 . 0 0 "[ . 1 . 2]" 2
861 1 23 GLU HA 1 23 GLU HG3 . . 3.750 3.290 3.148 3.467 . 0 0 "[ . 1 . 2]" 2
862 1 23 GLU HG3 1 28 THR HA . . 4.460 4.008 3.665 4.490 0.030 7 0 "[ . 1 . 2]" 2
863 1 22 LEU HA 1 23 GLU HG3 . . 4.950 3.621 3.415 4.110 . 0 0 "[ . 1 . 2]" 2
864 1 13 GLU H 1 13 GLU HG3 . . 3.520 3.441 3.392 3.539 0.019 3 0 "[ . 1 . 2]" 2
865 1 13 GLU HA 1 13 GLU HG3 . . 3.700 3.687 3.666 3.701 0.001 16 0 "[ . 1 . 2]" 2
866 1 13 GLU HG2 1 14 THR H . . 4.440 4.333 4.289 4.363 . 0 0 "[ . 1 . 2]" 2
867 1 13 GLU HG2 1 30 HIS HE1 . . 5.020 4.637 4.588 4.758 . 0 0 "[ . 1 . 2]" 2
868 1 13 GLU HA 1 13 GLU HG2 . . 3.300 2.538 2.489 2.566 . 0 0 "[ . 1 . 2]" 2
869 1 28 THR H 1 28 THR HB . . 2.950 2.858 2.821 2.898 . 0 0 "[ . 1 . 2]" 2
870 1 23 GLU HA 1 28 THR HB . . 5.100 4.986 4.865 5.085 . 0 0 "[ . 1 . 2]" 2
871 1 27 GLN HA 1 28 THR HB . . 4.780 4.526 4.442 4.619 . 0 0 "[ . 1 . 2]" 2
872 1 8 CYS HA 1 28 THR HB . . 4.190 3.577 3.433 3.696 . 0 0 "[ . 1 . 2]" 2
873 1 6 SER QB 1 28 THR HB . . 4.200 3.638 2.541 4.029 . 0 0 "[ . 1 . 2]" 2
874 1 23 GLU HG2 1 28 THR HB . . 4.690 3.904 3.737 4.263 . 0 0 "[ . 1 . 2]" 2
875 1 15 VAL HB 1 28 THR HB . . 4.690 3.902 3.692 4.356 . 0 0 "[ . 1 . 2]" 2
876 1 21 LYS QD 1 28 THR HB . . 4.830 4.794 4.581 4.873 0.043 17 0 "[ . 1 . 2]" 2
877 1 27 GLN HB3 1 28 THR HB . . 5.110 4.962 4.807 5.108 . 0 0 "[ . 1 . 2]" 2
878 1 15 VAL MG1 1 28 THR HB . . 4.810 4.416 4.220 4.818 0.008 8 0 "[ . 1 . 2]" 2
879 1 15 VAL MG2 1 28 THR HB . . 4.810 3.266 3.063 3.401 . 0 0 "[ . 1 . 2]" 2
880 1 21 LYS QB 1 29 TRP H . . 4.480 4.457 4.228 4.523 0.043 10 0 "[ . 1 . 2]" 2
881 1 21 LYS QB 1 30 HIS HA . . 4.150 3.326 3.068 3.472 . 0 0 "[ . 1 . 2]" 2
882 1 20 ARG HA 1 21 LYS QB . . 4.550 4.401 4.180 4.571 0.021 17 0 "[ . 1 . 2]" 2
883 1 15 VAL HA 1 21 LYS QB . . 5.250 4.517 4.364 4.663 . 0 0 "[ . 1 . 2]" 2
884 1 49 VAL HB 1 56 TYR QD . . 4.710 4.707 4.656 4.732 0.022 7 0 "[ . 1 . 2]" 2
885 1 49 VAL HB 1 50 PRO HD2 . . 4.340 4.284 4.224 4.318 . 0 0 "[ . 1 . 2]" 2
886 1 49 VAL HB 1 61 TYR HA . . 4.430 4.276 4.181 4.376 . 0 0 "[ . 1 . 2]" 2
887 1 49 VAL HB 1 56 TYR HB3 . . 5.010 4.978 4.912 5.020 0.010 3 0 "[ . 1 . 2]" 2
888 1 49 VAL HB 1 61 TYR HB3 . . 4.130 3.317 3.232 3.421 . 0 0 "[ . 1 . 2]" 2
889 1 49 VAL HB 1 61 TYR HB2 . . 3.720 2.349 2.279 2.425 . 0 0 "[ . 1 . 2]" 2
890 1 49 VAL HB 1 56 TYR HB2 . . 3.620 3.604 3.548 3.642 0.022 14 0 "[ . 1 . 2]" 2
891 1 49 VAL HB 1 51 ASP HB2 . . 4.780 4.390 4.185 4.635 . 0 0 "[ . 1 . 2]" 2
892 1 27 GLN HA 1 27 GLN HG2 . . 3.720 2.737 2.423 3.002 . 0 0 "[ . 1 . 2]" 2
893 1 13 GLU HA 1 14 THR HB . . 4.880 4.817 4.747 4.883 0.003 3 0 "[ . 1 . 2]" 2
894 1 13 GLU HB3 1 14 THR HB . . 4.680 4.390 4.275 4.504 . 0 0 "[ . 1 . 2]" 2
895 1 14 THR HB 1 16 MET ME . . 4.780 4.226 3.580 4.808 0.028 5 0 "[ . 1 . 2]" 2
896 1 58 VAL HA 1 61 TYR QD . . 4.400 4.165 4.067 4.245 . 0 0 "[ . 1 . 2]" 2
897 1 48 PHE HA 1 58 VAL HA . . 4.700 3.686 3.599 3.771 . 0 0 "[ . 1 . 2]" 2
898 1 57 CYS HB2 1 58 VAL HA . . 4.930 4.695 4.638 4.755 . 0 0 "[ . 1 . 2]" 2
899 1 58 VAL HA 1 61 TYR HB3 . . 3.180 3.198 3.179 3.220 0.040 2 0 "[ . 1 . 2]" 2
900 1 58 VAL HA 1 62 GLU HG3 . . 4.390 3.727 3.629 3.828 . 0 0 "[ . 1 . 2]" 2
901 1 49 VAL HB 1 58 VAL HA . . 4.960 5.063 5.022 5.090 0.130 10 0 "[ . 1 . 2]" 2
902 1 41 GLN HA 1 41 GLN QG . . 3.230 2.853 2.772 2.951 . 0 0 "[ . 1 . 2]" 2
903 1 29 TRP H 1 29 TRP HB3 . . 3.840 3.787 3.778 3.797 . 0 0 "[ . 1 . 2]" 2
904 1 9 SER H 1 29 TRP HB3 . . 4.810 4.695 4.550 4.806 . 0 0 "[ . 1 . 2]" 2
905 1 29 TRP HB3 1 34 PHE QD . . 4.310 2.891 2.786 3.012 . 0 0 "[ . 1 . 2]" 2
906 1 29 TRP HB3 1 34 PHE HA . . 4.400 2.937 2.851 3.026 . 0 0 "[ . 1 . 2]" 2
907 1 29 TRP HB3 1 33 CYS HB2 . . 3.910 3.100 3.052 3.172 . 0 0 "[ . 1 . 2]" 2
908 1 29 TRP HB3 1 34 PHE HB2 . . 3.570 2.520 2.395 2.695 . 0 0 "[ . 1 . 2]" 2
909 1 22 LEU HB2 1 29 TRP HB3 . . 4.320 4.235 4.174 4.290 . 0 0 "[ . 1 . 2]" 2
910 1 22 LEU MD1 1 29 TRP HB3 . . 4.760 4.732 4.665 4.775 0.015 11 0 "[ . 1 . 2]" 2
911 1 29 TRP HB2 1 34 PHE QD . . 4.230 2.153 1.999 2.436 . 0 0 "[ . 1 . 2]" 2
912 1 28 THR HA 1 29 TRP HB2 . . 4.760 4.541 4.519 4.562 . 0 0 "[ . 1 . 2]" 2
913 1 29 TRP HB2 1 33 CYS HB3 . . 5.260 5.003 4.919 5.124 . 0 0 "[ . 1 . 2]" 2
914 1 29 TRP HB2 1 33 CYS HB2 . . 4.780 4.640 4.579 4.724 . 0 0 "[ . 1 . 2]" 2
915 1 29 TRP HB2 1 34 PHE HB2 . . 3.630 2.146 2.020 2.254 . 0 0 "[ . 1 . 2]" 2
916 1 22 LEU HB2 1 29 TRP HB2 . . 3.680 2.985 2.930 3.012 . 0 0 "[ . 1 . 2]" 2
917 1 15 VAL H 1 30 HIS HE1 . . 5.340 4.115 3.962 4.299 . 0 0 "[ . 1 . 2]" 2
918 1 13 GLU HA 1 30 HIS HE1 . . 4.870 4.614 4.527 4.698 . 0 0 "[ . 1 . 2]" 2
919 1 15 VAL HA 1 30 HIS HE1 . . 4.600 3.727 3.554 3.910 . 0 0 "[ . 1 . 2]" 2
920 1 8 CYS HB3 1 30 HIS HE1 . . 3.460 3.203 3.005 3.387 . 0 0 "[ . 1 . 2]" 2
921 1 13 GLU HG3 1 30 HIS HE1 . . 4.070 3.863 3.735 4.018 . 0 0 "[ . 1 . 2]" 2
922 1 13 GLU HB3 1 30 HIS HE1 . . 3.140 2.776 2.625 2.911 . 0 0 "[ . 1 . 2]" 2
923 1 13 GLU HB2 1 30 HIS HE1 . . 2.780 2.014 1.982 2.119 . 0 0 "[ . 1 . 2]" 2
924 1 30 HIS HB2 1 32 HIS HE1 . . 4.170 3.524 3.232 3.831 . 0 0 "[ . 1 . 2]" 2
925 1 30 HIS HB3 1 32 HIS HE1 . . 3.760 2.915 2.712 3.369 . 0 0 "[ . 1 . 2]" 2
926 1 39 CYS H 1 39 CYS HB2 . . 3.860 3.711 3.694 3.727 . 0 0 "[ . 1 . 2]" 2
927 1 39 CYS HA 1 39 CYS HB2 . . 2.970 2.501 2.493 2.509 . 0 0 "[ . 1 . 2]" 2
928 1 39 CYS HB2 1 41 GLN QB . . 4.780 4.073 3.964 4.153 . 0 0 "[ . 1 . 2]" 2
929 1 39 CYS HB2 1 40 GLU H . . 4.730 4.218 4.195 4.247 . 0 0 "[ . 1 . 2]" 2
930 1 39 CYS HA 1 39 CYS HB3 . . 3.010 2.408 2.401 2.415 . 0 0 "[ . 1 . 2]" 2
931 1 38 GLY HA3 1 39 CYS HB3 . . 4.960 4.490 4.464 4.516 . 0 0 "[ . 1 . 2]" 2
932 1 50 PRO HB2 1 55 HIS HD2 . . 4.780 4.203 3.759 4.624 . 0 0 "[ . 1 . 2]" 2
933 1 50 PRO HB2 1 51 ASP H . . 4.470 3.602 3.173 4.019 . 0 0 "[ . 1 . 2]" 2
934 1 50 PRO HB3 1 51 ASP H . . 4.470 4.058 3.768 4.353 . 0 0 "[ . 1 . 2]" 2
935 1 50 PRO HB3 1 55 HIS HD2 . . 4.780 2.948 2.580 3.247 . 0 0 "[ . 1 . 2]" 2
936 1 23 GLU HB3 1 28 THR MG . . 4.540 4.204 4.040 4.474 . 0 0 "[ . 1 . 2]" 2
937 1 23 GLU HB3 1 28 THR HA . . 4.620 3.835 3.595 4.279 . 0 0 "[ . 1 . 2]" 2
938 1 22 LEU HA 1 23 GLU HB2 . . 4.720 4.515 4.257 4.688 . 0 0 "[ . 1 . 2]" 2
939 1 23 GLU HB2 1 28 THR HA . . 5.180 4.733 4.563 5.016 . 0 0 "[ . 1 . 2]" 2
940 1 23 GLU HB2 1 28 THR MG . . 4.710 4.581 4.333 4.725 0.015 11 0 "[ . 1 . 2]" 2
941 1 64 LYS HB3 1 64 LYS HE2 . . 5.210 4.513 3.420 4.828 . 0 0 "[ . 1 . 2]" 2
942 1 64 LYS HB3 1 64 LYS HE3 . . 5.210 4.266 3.479 4.750 . 0 0 "[ . 1 . 2]" 2
943 1 64 LYS HB2 1 65 PHE QD . . 4.790 4.428 4.155 4.774 . 0 0 "[ . 1 . 2]" 2
944 1 61 TYR HA 1 64 LYS HB2 . . 5.090 4.710 4.175 5.044 . 0 0 "[ . 1 . 2]" 2
945 1 64 LYS HB2 1 64 LYS HE2 . . 5.320 3.874 1.990 4.762 . 0 0 "[ . 1 . 2]" 2
946 1 64 LYS HB2 1 64 LYS HE3 . . 5.320 3.565 2.102 4.799 . 0 0 "[ . 1 . 2]" 2
947 1 29 TRP HH2 1 55 HIS HE1 . . 4.760 4.275 3.601 4.694 . 0 0 "[ . 1 . 2]" 2
948 1 16 MET HA 1 16 MET HG2 . . 3.970 2.606 2.256 3.098 . 0 0 "[ . 1 . 2]" 2
949 1 16 MET HG2 1 17 PRO HD2 . . 4.680 3.931 3.213 4.491 . 0 0 "[ . 1 . 2]" 2
950 1 14 THR MG 1 16 MET HG2 . . 4.210 2.954 2.662 3.250 . 0 0 "[ . 1 . 2]" 2
951 1 16 MET HA 1 16 MET HG3 . . 3.970 3.624 3.283 3.776 . 0 0 "[ . 1 . 2]" 2
952 1 14 THR MG 1 16 MET HG3 . . 4.210 4.101 3.734 4.215 0.005 7 0 "[ . 1 . 2]" 2
953 1 42 PRO HB2 1 43 LEU H . . 4.150 4.111 4.071 4.155 0.005 19 0 "[ . 1 . 2]" 2
954 1 42 PRO HB3 1 43 LEU H . . 4.530 4.427 4.394 4.463 . 0 0 "[ . 1 . 2]" 2
955 1 30 HIS H 1 33 CYS HB3 . . 3.820 3.190 3.110 3.415 . 0 0 "[ . 1 . 2]" 2
956 1 33 CYS H 1 33 CYS HB3 . . 3.590 3.558 3.544 3.583 . 0 0 "[ . 1 . 2]" 2
957 1 33 CYS HB2 1 34 PHE HB2 . . 4.790 4.414 4.388 4.441 . 0 0 "[ . 1 . 2]" 2
958 1 59 PRO HA 1 62 GLU H . . 3.700 3.428 3.351 3.500 . 0 0 "[ . 1 . 2]" 2
959 1 59 PRO HA 1 62 GLU HG3 . . 4.350 4.018 3.772 4.137 . 0 0 "[ . 1 . 2]" 2
960 1 58 VAL MG1 1 59 PRO HA . . 3.870 3.038 3.023 3.063 . 0 0 "[ . 1 . 2]" 2
961 1 11 CYS H 1 11 CYS HB2 . . 3.700 3.651 3.631 3.690 . 0 0 "[ . 1 . 2]" 2
962 1 11 CYS HB2 1 12 GLY H . . 4.710 3.823 3.726 3.915 . 0 0 "[ . 1 . 2]" 2
963 1 11 CYS HA 1 11 CYS HB2 . . 2.840 2.483 2.472 2.498 . 0 0 "[ . 1 . 2]" 2
964 1 11 CYS HB2 1 13 GLU HG3 . . 4.300 3.772 3.601 3.881 . 0 0 "[ . 1 . 2]" 2
965 1 11 CYS HB2 1 13 GLU HG2 . . 4.330 3.473 3.319 3.578 . 0 0 "[ . 1 . 2]" 2
966 1 11 CYS HB2 1 13 GLU H . . 4.470 3.340 3.229 3.654 . 0 0 "[ . 1 . 2]" 2
967 1 11 CYS HB3 1 13 GLU HG2 . . 5.030 4.897 4.721 5.019 . 0 0 "[ . 1 . 2]" 2
968 1 11 CYS HA 1 11 CYS HB3 . . 2.910 2.424 2.409 2.435 . 0 0 "[ . 1 . 2]" 2
969 1 11 CYS HB3 1 13 GLU HG3 . . 4.780 4.729 4.563 4.791 0.011 20 0 "[ . 1 . 2]" 2
970 1 8 CYS HB3 1 29 TRP HA . . 5.050 4.867 4.761 4.933 . 0 0 "[ . 1 . 2]" 2
971 1 7 GLY HA2 1 8 CYS HB3 . . 5.500 4.937 4.868 5.000 . 0 0 "[ . 1 . 2]" 2
972 1 8 CYS HB3 1 9 SER HA . . 5.500 4.906 4.854 4.952 . 0 0 "[ . 1 . 2]" 2
973 1 8 CYS HB2 1 9 SER H . . 4.180 4.170 4.100 4.231 0.051 12 0 "[ . 1 . 2]" 2
974 1 8 CYS HB2 1 12 GLY H . . 4.080 3.933 3.850 4.057 . 0 0 "[ . 1 . 2]" 2
975 1 8 CYS HB2 1 30 HIS HE1 . . 3.530 2.381 2.214 2.543 . 0 0 "[ . 1 . 2]" 2
976 1 8 CYS HB2 1 29 TRP HA . . 4.280 4.117 4.049 4.204 . 0 0 "[ . 1 . 2]" 2
977 1 60 CYS HA 1 64 LYS H . . 4.390 4.057 3.892 4.260 . 0 0 "[ . 1 . 2]" 2
978 1 56 TYR QD 1 60 CYS HA . . 4.680 4.531 4.482 4.574 . 0 0 "[ . 1 . 2]" 2
979 1 59 PRO HB2 1 60 CYS HA . . 4.660 3.906 3.900 3.915 . 0 0 "[ . 1 . 2]" 2
980 1 13 GLU H 1 13 GLU HB3 . . 3.620 3.568 3.556 3.574 . 0 0 "[ . 1 . 2]" 2
981 1 8 CYS HB3 1 13 GLU HB3 . . 4.760 4.600 4.474 4.771 0.011 8 0 "[ . 1 . 2]" 2
982 1 36 CYS HB3 1 57 CYS H . . 4.300 4.344 4.326 4.354 0.054 2 0 "[ . 1 . 2]" 2
983 1 35 LEU HA 1 36 CYS HB3 . . 5.040 4.788 4.759 4.812 . 0 0 "[ . 1 . 2]" 2
984 1 36 CYS HB3 1 40 GLU HA . . 4.050 3.532 3.455 3.606 . 0 0 "[ . 1 . 2]" 2
985 1 36 CYS HB3 1 41 GLN QG . . 4.730 4.183 4.030 4.277 . 0 0 "[ . 1 . 2]" 2
986 1 36 CYS HB3 1 41 GLN QB . . 4.140 2.990 2.873 3.112 . 0 0 "[ . 1 . 2]" 2
987 1 36 CYS HB3 1 43 LEU HG . . 4.390 3.953 3.891 4.048 . 0 0 "[ . 1 . 2]" 2
988 1 35 LEU HB3 1 36 CYS HB3 . . 4.600 4.328 4.284 4.382 . 0 0 "[ . 1 . 2]" 2
989 1 36 CYS HB3 1 43 LEU MD2 . . 3.640 3.160 3.105 3.233 . 0 0 "[ . 1 . 2]" 2
990 1 36 CYS HB3 1 43 LEU MD1 . . 4.320 3.676 3.508 3.875 . 0 0 "[ . 1 . 2]" 2
991 1 30 HIS HB3 1 32 HIS H . . 4.690 2.294 2.249 2.342 . 0 0 "[ . 1 . 2]" 2
992 1 36 CYS HB2 1 37 SER H . . 4.320 3.921 3.887 3.957 . 0 0 "[ . 1 . 2]" 2
993 1 36 CYS HB2 1 39 CYS H . . 4.310 4.114 4.097 4.139 . 0 0 "[ . 1 . 2]" 2
994 1 36 CYS HB2 1 56 TYR HA . . 4.560 3.875 3.831 3.906 . 0 0 "[ . 1 . 2]" 2
995 1 36 CYS HB2 1 57 CYS HB3 . . 3.790 3.408 3.338 3.463 . 0 0 "[ . 1 . 2]" 2
996 1 35 LEU HB3 1 36 CYS HB2 . . 5.080 5.042 4.992 5.084 0.004 11 0 "[ . 1 . 2]" 2
997 1 36 CYS HB2 1 43 LEU MD1 . . 3.850 2.218 1.981 2.457 . 0 0 "[ . 1 . 2]" 2
998 1 16 MET HB3 1 17 PRO HD3 . . 3.820 3.558 3.412 3.747 . 0 0 "[ . 1 . 2]" 2
999 1 16 MET HB3 1 17 PRO HD2 . . 3.430 2.127 1.963 2.354 . 0 0 "[ . 1 . 2]" 2
1000 1 16 MET HB2 1 17 PRO HD2 . . 3.880 3.696 3.531 3.867 . 0 0 "[ . 1 . 2]" 2
1001 1 52 LYS QB 1 53 GLY H . . 3.900 3.789 3.655 3.885 . 0 0 "[ . 1 . 2]" 2
1002 1 31 GLU HB3 1 32 HIS HA . . 4.630 4.369 4.295 4.419 . 0 0 "[ . 1 . 2]" 2
1003 1 21 LYS HA 1 31 GLU HB2 . . 4.270 3.065 2.876 3.195 . 0 0 "[ . 1 . 2]" 2
1004 1 19 SER QB 1 30 HIS HD2 . . 4.810 4.469 4.170 4.748 . 0 0 "[ . 1 . 2]" 2
1005 1 19 SER QB 1 20 ARG QB . . 4.760 4.301 3.845 4.721 . 0 0 "[ . 1 . 2]" 2
1006 1 19 SER QB 1 21 LYS QB . . 4.690 4.072 3.794 4.546 . 0 0 "[ . 1 . 2]" 2
1007 1 56 TYR QD 1 60 CYS HB2 . . 3.680 3.536 3.508 3.566 . 0 0 "[ . 1 . 2]" 2
1008 1 38 GLY H 1 60 CYS HB3 . . 4.760 4.735 4.656 4.785 0.025 14 0 "[ . 1 . 2]" 2
1009 1 60 CYS HB3 1 61 TYR H . . 3.870 3.817 3.791 3.845 . 0 0 "[ . 1 . 2]" 2
1010 1 21 LYS QD 1 23 GLU HG3 . . 4.340 3.190 2.814 3.766 . 0 0 "[ . 1 . 2]" 2
1011 1 21 LYS HA 1 21 LYS QD . . 4.470 4.240 4.194 4.371 . 0 0 "[ . 1 . 2]" 2
1012 1 21 LYS QD 1 23 GLU HG2 . . 4.550 3.443 3.037 4.503 . 0 0 "[ . 1 . 2]" 2
1013 1 15 VAL HB 1 21 LYS QD . . 4.180 3.379 2.966 3.567 . 0 0 "[ . 1 . 2]" 2
1014 1 17 PRO HA 1 21 LYS QE . . 4.630 3.087 2.132 4.640 0.010 17 0 "[ . 1 . 2]" 2
1015 1 17 PRO HA 1 21 LYS QD . . 4.540 3.257 2.572 3.804 . 0 0 "[ . 1 . 2]" 2
1016 1 14 THR HA 1 15 VAL H . . 2.670 2.182 2.157 2.202 . 0 0 "[ . 1 . 2]" 2
1017 1 8 CYS H 1 14 THR HA . . 3.890 3.097 2.944 3.321 . 0 0 "[ . 1 . 2]" 2
1018 1 7 GLY HA3 1 14 THR HA . . 3.630 3.034 2.949 3.158 . 0 0 "[ . 1 . 2]" 2
1019 1 14 THR HA 1 15 VAL HB . . 4.800 4.707 4.623 4.821 0.021 8 0 "[ . 1 . 2]" 2
1020 1 57 CYS HB2 1 59 PRO HD2 . . 3.340 1.931 1.907 1.955 . 0 0 "[ . 1 . 2]" 2
1021 1 57 CYS HB2 1 59 PRO HG2 . . 4.430 3.313 3.233 3.374 . 0 0 "[ . 1 . 2]" 2
1022 1 57 CYS HB2 1 58 VAL MG2 . . 4.710 4.361 4.304 4.439 . 0 0 "[ . 1 . 2]" 2
1023 1 43 LEU HG 1 57 CYS HB3 . . 4.840 4.635 4.533 4.688 . 0 0 "[ . 1 . 2]" 2
1024 1 57 CYS HB3 1 59 PRO HG2 . . 4.710 4.335 4.282 4.372 . 0 0 "[ . 1 . 2]" 2
1025 1 57 CYS HB3 1 58 VAL H . . 3.750 3.581 3.523 3.641 . 0 0 "[ . 1 . 2]" 2
1026 1 57 CYS HB3 1 59 PRO HD2 . . 3.730 3.554 3.540 3.574 . 0 0 "[ . 1 . 2]" 2
1027 1 62 GLU HB3 1 63 ASN H . . 4.070 3.928 3.840 4.039 . 0 0 "[ . 1 . 2]" 2
1028 1 59 PRO HA 1 62 GLU HB3 . . 4.690 4.501 4.439 4.586 . 0 0 "[ . 1 . 2]" 2
1029 1 58 VAL MG1 1 62 GLU HB3 . . 5.100 4.742 4.664 4.836 . 0 0 "[ . 1 . 2]" 2
1030 1 6 SER QB 1 15 VAL HB . . 4.460 3.617 3.342 3.892 . 0 0 "[ . 1 . 2]" 2
1031 1 52 LYS HA 1 52 LYS HD3 . . 4.690 4.187 2.412 4.673 . 0 0 "[ . 1 . 2]" 2
1032 1 35 LEU HB2 1 42 PRO HA . . 5.050 4.924 4.861 4.971 . 0 0 "[ . 1 . 2]" 2
1033 1 64 LYS H 1 64 LYS HD2 . . 4.980 4.558 4.086 4.968 . 0 0 "[ . 1 . 2]" 2
1034 1 64 LYS HD2 1 65 PHE QD . . 4.980 4.224 3.969 4.897 . 0 0 "[ . 1 . 2]" 2
1035 1 64 LYS HD2 1 65 PHE QE . . 5.260 3.954 3.714 4.638 . 0 0 "[ . 1 . 2]" 2
1036 1 56 TYR QE 1 64 LYS HD2 . . 4.440 3.321 3.127 3.613 . 0 0 "[ . 1 . 2]" 2
1037 1 64 LYS H 1 64 LYS HD3 . . 5.090 4.809 4.496 5.019 . 0 0 "[ . 1 . 2]" 2
1038 1 36 CYS H 1 42 PRO HA . . 4.390 4.380 4.342 4.414 0.024 20 0 "[ . 1 . 2]" 2
1039 1 42 PRO HA 1 43 LEU HG . . 4.150 4.074 4.005 4.157 0.007 20 0 "[ . 1 . 2]" 2
1040 1 42 PRO HA 1 43 LEU HB2 . . 4.960 4.827 4.760 4.874 . 0 0 "[ . 1 . 2]" 2
1041 1 35 LEU HB3 1 42 PRO HA . . 4.190 3.816 3.691 3.910 . 0 0 "[ . 1 . 2]" 2
1042 1 47 SER H 1 47 SER HB2 . . 3.800 2.536 2.181 3.596 . 0 0 "[ . 1 . 2]" 2
1043 1 47 SER HB2 1 48 PHE QD . . 5.500 5.443 5.174 5.519 0.019 11 0 "[ . 1 . 2]" 2
1044 1 47 SER HB2 1 58 VAL HB . . 5.500 4.737 4.055 5.553 0.053 8 0 "[ . 1 . 2]" 2
1045 1 47 SER HB2 1 58 VAL MG2 . . 3.700 2.660 2.066 3.437 . 0 0 "[ . 1 . 2]" 2
1046 1 47 SER HB3 1 48 PHE H . . 4.000 2.860 2.336 4.016 0.016 18 0 "[ . 1 . 2]" 2
1047 1 47 SER HB3 1 48 PHE QD . . 5.500 5.002 4.712 5.524 0.024 12 0 "[ . 1 . 2]" 2
1048 1 47 SER HB3 1 58 VAL HB . . 5.500 5.351 4.063 5.561 0.061 14 0 "[ . 1 . 2]" 2
1049 1 47 SER HB3 1 58 VAL MG2 . . 3.700 3.007 2.130 3.342 . 0 0 "[ . 1 . 2]" 2
1050 1 9 SER HB2 1 10 ALA H . . 4.500 4.232 4.040 4.391 . 0 0 "[ . 1 . 2]" 2
1051 1 9 SER HB2 1 29 TRP HZ2 . . 4.280 4.257 4.173 4.297 0.017 8 0 "[ . 1 . 2]" 2
1052 1 9 SER HB2 1 27 GLN HE22 . . 5.090 3.511 2.404 5.038 . 0 0 "[ . 1 . 2]" 2
1053 1 9 SER HB2 1 29 TRP HD1 . . 4.990 4.789 4.530 4.995 0.005 3 0 "[ . 1 . 2]" 2
1054 1 9 SER HB2 1 10 ALA MB . . 5.500 5.441 5.246 5.562 0.062 6 0 "[ . 1 . 2]" 2
1055 1 9 SER HB2 1 27 GLN HB3 . . 4.260 3.002 2.732 3.269 . 0 0 "[ . 1 . 2]" 2
1056 1 9 SER HB2 1 29 TRP HE1 . . 3.950 3.752 3.606 3.912 . 0 0 "[ . 1 . 2]" 2
1057 1 9 SER HB3 1 29 TRP HD1 . . 4.990 3.228 3.168 3.366 . 0 0 "[ . 1 . 2]" 2
1058 1 9 SER HB3 1 10 ALA H . . 4.500 3.335 3.237 3.490 . 0 0 "[ . 1 . 2]" 2
1059 1 9 SER HB3 1 29 TRP HZ2 . . 4.280 3.507 3.336 3.584 . 0 0 "[ . 1 . 2]" 2
1060 1 9 SER HB3 1 27 GLN HB3 . . 4.260 3.430 3.089 3.744 . 0 0 "[ . 1 . 2]" 2
1061 1 59 PRO HG2 1 60 CYS HB2 . . 5.500 3.643 3.614 3.667 . 0 0 "[ . 1 . 2]" 2
1062 1 59 PRO HG3 1 60 CYS H . . 4.750 3.495 3.482 3.512 . 0 0 "[ . 1 . 2]" 2
1063 1 24 TYR QD 1 48 PHE HZ . . 4.030 3.149 2.938 3.238 . 0 0 "[ . 1 . 2]" 2
1064 1 24 TYR QD 1 34 PHE QE . . 4.500 3.898 3.743 4.147 . 0 0 "[ . 1 . 2]" 2
1065 1 24 TYR HA 1 24 TYR QD . . 3.310 3.024 2.962 3.049 . 0 0 "[ . 1 . 2]" 2
1066 1 22 LEU HB3 1 24 TYR QD . . 4.620 3.120 3.068 3.162 . 0 0 "[ . 1 . 2]" 2
1067 1 22 LEU MD2 1 24 TYR QD . . 4.970 3.231 3.139 3.338 . 0 0 "[ . 1 . 2]" 2
1068 1 41 GLN QB 1 42 PRO HD3 . . 3.850 3.679 3.551 3.742 . 0 0 "[ . 1 . 2]" 2
1069 1 41 GLN QB 1 42 PRO HD2 . . 3.140 2.407 2.226 2.502 . 0 0 "[ . 1 . 2]" 2
1070 1 36 CYS HB2 1 41 GLN QB . . 4.630 3.428 3.307 3.539 . 0 0 "[ . 1 . 2]" 2
1071 1 41 GLN QB 1 43 LEU MD2 . . 4.570 2.708 2.570 2.845 . 0 0 "[ . 1 . 2]" 2
1072 1 37 SER HB2 1 38 GLY H . . 4.680 4.252 4.015 4.404 . 0 0 "[ . 1 . 2]" 2
1073 1 37 SER HB2 1 56 TYR QD . . 4.760 4.140 3.586 4.513 . 0 0 "[ . 1 . 2]" 2
1074 1 37 SER HB3 1 56 TYR QD . . 4.760 3.929 3.450 4.721 . 0 0 "[ . 1 . 2]" 2
1075 1 55 HIS HA 1 56 TYR QD . . 4.430 4.410 4.315 4.471 0.041 18 0 "[ . 1 . 2]" 2
1076 1 61 TYR QD 1 62 GLU H . . 3.750 3.319 3.104 3.436 . 0 0 "[ . 1 . 2]" 2
1077 1 56 TYR QD 1 61 TYR QD . . 3.350 3.171 2.956 3.320 . 0 0 "[ . 1 . 2]" 2
1078 1 56 TYR HB2 1 61 TYR QD . . 3.540 2.886 2.681 2.988 . 0 0 "[ . 1 . 2]" 2
1079 1 61 TYR QD 1 62 GLU HG3 . . 3.850 3.171 3.054 3.403 . 0 0 "[ . 1 . 2]" 2
1080 1 61 TYR QD 1 62 GLU HG2 . . 3.820 3.119 2.805 3.370 . 0 0 "[ . 1 . 2]" 2
1081 1 61 TYR QD 1 62 GLU HB2 . . 5.150 4.872 4.685 4.981 . 0 0 "[ . 1 . 2]" 2
1082 1 49 VAL HB 1 61 TYR QD . . 3.680 2.672 2.466 2.800 . 0 0 "[ . 1 . 2]" 2
1083 1 49 VAL MG1 1 61 TYR QD . . 3.590 2.893 2.824 3.015 . 0 0 "[ . 1 . 2]" 2
1084 1 56 TYR QD 1 61 TYR HA . . 4.400 3.895 3.770 4.004 . 0 0 "[ . 1 . 2]" 2
1085 1 61 TYR HA 1 61 TYR QD . . 3.100 2.540 2.456 2.720 . 0 0 "[ . 1 . 2]" 2
1086 1 61 TYR HA 1 61 TYR QE . . 4.640 4.561 4.514 4.652 0.012 18 0 "[ . 1 . 2]" 2
1087 1 56 TYR HB3 1 61 TYR HA . . 3.820 3.028 2.951 3.091 . 0 0 "[ . 1 . 2]" 2
1088 1 56 TYR HB2 1 61 TYR HA . . 3.960 2.898 2.740 2.986 . 0 0 "[ . 1 . 2]" 2
1089 1 61 TYR HA 1 64 LYS HB3 . . 4.020 3.440 2.793 3.939 . 0 0 "[ . 1 . 2]" 2
1090 1 61 TYR HA 1 64 LYS HD3 . . 4.070 3.423 2.541 4.082 0.012 2 0 "[ . 1 . 2]" 2
1091 1 49 VAL MG2 1 61 TYR HA . . 4.930 4.404 4.317 4.517 . 0 0 "[ . 1 . 2]" 2
1092 1 41 GLN HA 1 42 PRO HG3 . . 4.460 4.404 4.388 4.428 . 0 0 "[ . 1 . 2]" 2
1093 1 35 LEU MD2 1 42 PRO HG3 . . 4.060 3.873 3.769 3.931 . 0 0 "[ . 1 . 2]" 2
1094 1 38 GLY H 1 56 TYR QD . . 3.630 3.567 3.522 3.624 . 0 0 "[ . 1 . 2]" 2
1095 1 37 SER H 1 56 TYR QD . . 4.160 3.584 3.429 3.743 . 0 0 "[ . 1 . 2]" 2
1096 1 51 ASP H 1 56 TYR QD . . 4.710 4.192 3.881 4.485 . 0 0 "[ . 1 . 2]" 2
1097 1 38 GLY HA2 1 56 TYR QD . . 4.240 3.892 3.808 3.949 . 0 0 "[ . 1 . 2]" 2
1098 1 38 GLY HA3 1 56 TYR QD . . 3.790 2.862 2.749 2.934 . 0 0 "[ . 1 . 2]" 2
1099 1 56 TYR QD 1 60 CYS HB3 . . 3.250 2.165 2.122 2.198 . 0 0 "[ . 1 . 2]" 2
1100 1 51 ASP HB3 1 56 TYR QD . . 3.720 2.839 2.652 3.010 . 0 0 "[ . 1 . 2]" 2
1101 1 51 ASP HB2 1 56 TYR QD . . 4.080 2.934 2.526 3.291 . 0 0 "[ . 1 . 2]" 2
1102 1 35 LEU MD2 1 40 GLU QB . . 4.720 4.065 3.772 4.223 . 0 0 "[ . 1 . 2]" 2
1103 1 20 ARG H 1 20 ARG HG2 . . 4.440 3.638 2.524 4.627 0.187 15 0 "[ . 1 . 2]" 2
1104 1 20 ARG HA 1 20 ARG HG2 . . 3.760 3.158 2.239 3.821 0.061 8 0 "[ . 1 . 2]" 2
1105 1 22 LEU H 1 22 LEU HG . . 3.910 3.873 3.772 3.912 0.002 11 0 "[ . 1 . 2]" 2
1106 1 22 LEU HG 1 23 GLU H . . 4.750 4.706 4.657 4.739 . 0 0 "[ . 1 . 2]" 2
1107 1 22 LEU HG 1 34 PHE QD . . 4.550 4.286 4.178 4.334 . 0 0 "[ . 1 . 2]" 2
1108 1 22 LEU HA 1 22 LEU HG . . 3.790 2.994 2.974 3.017 . 0 0 "[ . 1 . 2]" 2
1109 1 22 LEU HG 1 44 GLY HA2 . . 4.540 2.840 2.628 3.051 . 0 0 "[ . 1 . 2]" 2
1110 1 22 LEU HG 1 34 PHE HB3 . . 4.800 3.962 3.861 4.030 . 0 0 "[ . 1 . 2]" 2
1111 1 22 LEU HG 1 29 TRP HB2 . . 5.270 5.132 5.063 5.175 . 0 0 "[ . 1 . 2]" 2
1112 1 22 LEU HG 1 31 GLU HB2 . . 4.820 4.700 4.558 4.820 . 0 0 "[ . 1 . 2]" 2
1113 1 65 PHE HA 1 65 PHE QD . . 3.380 2.994 2.812 3.100 . 0 0 "[ . 1 . 2]" 2
1114 1 62 GLU HA 1 65 PHE QD . . 4.690 4.426 4.068 4.701 0.011 14 0 "[ . 1 . 2]" 2
1115 1 61 TYR HA 1 65 PHE QD . . 3.690 3.267 2.926 3.493 . 0 0 "[ . 1 . 2]" 2
1116 1 64 LYS HB3 1 65 PHE QD . . 4.660 3.749 2.589 4.621 . 0 0 "[ . 1 . 2]" 2
1117 1 64 LYS HD3 1 65 PHE QD . . 3.870 2.930 2.702 3.548 . 0 0 "[ . 1 . 2]" 2
1118 1 48 PHE QD 1 55 HIS HD2 . . 4.190 3.909 3.651 4.145 . 0 0 "[ . 1 . 2]" 2
1119 1 48 PHE QD 1 55 HIS HB2 . . 4.340 4.332 4.241 4.369 0.029 3 0 "[ . 1 . 2]" 2
1120 1 37 SER HA 1 54 ALA MB . . 5.170 4.898 4.682 5.090 . 0 0 "[ . 1 . 2]" 2
1121 1 50 PRO HA 1 51 ASP HB3 . . 5.210 4.934 4.726 5.039 . 0 0 "[ . 1 . 2]" 2
1122 1 28 THR HA 1 29 TRP HZ3 . . 4.770 4.202 3.926 4.404 . 0 0 "[ . 1 . 2]" 2
1123 1 15 VAL HA 1 16 MET HB2 . . 4.740 4.498 4.381 4.619 . 0 0 "[ . 1 . 2]" 2
1124 1 14 THR MG 1 15 VAL HA . . 4.390 4.221 4.056 4.364 . 0 0 "[ . 1 . 2]" 2
1125 1 15 VAL HA 1 16 MET HA . . 4.690 4.409 4.385 4.463 . 0 0 "[ . 1 . 2]" 2
1126 1 15 VAL HA 1 16 MET HG3 . . 5.490 5.163 4.200 5.587 0.097 7 0 "[ . 1 . 2]" 2
1127 1 48 PHE QE 1 50 PRO HG2 . . 5.420 5.018 4.792 5.184 . 0 0 "[ . 1 . 2]" 2
1128 1 48 PHE QE 1 50 PRO HG3 . . 4.220 3.926 3.608 4.151 . 0 0 "[ . 1 . 2]" 2
1129 1 49 VAL HA 1 50 PRO HG3 . . 4.330 4.325 4.319 4.330 0.000 7 0 "[ . 1 . 2]" 2
1130 1 46 ARG HA 1 46 ARG HG2 . . 3.900 3.223 2.592 3.785 . 0 0 "[ . 1 . 2]" 2
1131 1 46 ARG HA 1 46 ARG HG3 . . 3.900 3.690 3.484 3.789 . 0 0 "[ . 1 . 2]" 2
1132 1 35 LEU HA 1 35 LEU HG . . 3.920 3.075 3.018 3.149 . 0 0 "[ . 1 . 2]" 2
1133 1 34 PHE QD 1 43 LEU HG . . 4.740 4.314 4.253 4.384 . 0 0 "[ . 1 . 2]" 2
1134 1 35 LEU HA 1 43 LEU HG . . 3.640 2.946 2.858 3.054 . 0 0 "[ . 1 . 2]" 2
1135 1 36 CYS HB2 1 43 LEU HG . . 3.820 2.782 2.671 2.869 . 0 0 "[ . 1 . 2]" 2
1136 1 50 PRO HA 1 51 ASP H . . 3.020 2.196 2.167 2.225 . 0 0 "[ . 1 . 2]" 2
1137 1 48 PHE QD 1 50 PRO HA . . 4.440 3.468 3.391 3.571 . 0 0 "[ . 1 . 2]" 2
1138 1 50 PRO HA 1 55 HIS HD2 . . 4.180 2.996 2.207 3.528 . 0 0 "[ . 1 . 2]" 2
1139 1 50 PRO HA 1 55 HIS HA . . 3.350 2.630 2.433 2.814 . 0 0 "[ . 1 . 2]" 2
1140 1 50 PRO HA 1 51 ASP HB2 . . 4.870 4.372 4.199 4.572 . 0 0 "[ . 1 . 2]" 2
1141 1 48 PHE QE 1 55 HIS HD2 . . 4.530 2.537 2.123 2.912 . 0 0 "[ . 1 . 2]" 2
1142 1 34 PHE QE 1 48 PHE QE . . 4.720 2.704 2.558 2.977 . 0 0 "[ . 1 . 2]" 2
1143 1 65 PHE HA 1 65 PHE QE . . 4.670 4.541 4.482 4.606 . 0 0 "[ . 1 . 2]" 2
1144 1 64 LYS HE3 1 65 PHE QE . . 5.290 3.508 2.703 4.183 . 0 0 "[ . 1 . 2]" 2
1145 1 64 LYS HB3 1 65 PHE QE . . 5.500 4.830 3.817 5.516 0.016 7 0 "[ . 1 . 2]" 2
1146 1 64 LYS HD3 1 65 PHE QE . . 3.900 2.253 2.001 2.905 . 0 0 "[ . 1 . 2]" 2
1147 1 65 PHE H 1 65 PHE QE . . 5.010 4.859 4.565 5.019 0.009 13 0 "[ . 1 . 2]" 2
1148 1 61 TYR HA 1 65 PHE QE . . 4.350 4.178 3.872 4.362 0.012 20 0 "[ . 1 . 2]" 2
1149 1 31 GLU HA 1 44 GLY H . . 5.500 4.741 4.542 4.869 . 0 0 "[ . 1 . 2]" 2
1150 1 30 HIS HA 1 31 GLU HA . . 4.520 4.306 4.303 4.310 . 0 0 "[ . 1 . 2]" 2
1151 1 31 GLU HA 1 31 GLU HB2 . . 2.950 2.614 2.580 2.685 . 0 0 "[ . 1 . 2]" 2
1152 1 22 LEU HG 1 31 GLU HA . . 3.520 3.279 3.042 3.362 . 0 0 "[ . 1 . 2]" 2
1153 1 22 LEU MD1 1 31 GLU HA . . 3.700 3.617 3.533 3.649 . 0 0 "[ . 1 . 2]" 2
1154 1 21 LYS HA 1 31 GLU HA . . 4.160 3.876 3.691 4.044 . 0 0 "[ . 1 . 2]" 2
1155 1 31 GLU HA 1 34 PHE HB3 . . 3.960 3.759 3.718 3.805 . 0 0 "[ . 1 . 2]" 2
1156 1 31 GLU HA 1 31 GLU QG . . 2.930 2.292 2.193 2.340 . 0 0 "[ . 1 . 2]" 2
1157 1 34 PHE QD 1 48 PHE QD . . 5.350 4.896 4.745 5.120 . 0 0 "[ . 1 . 2]" 2
1158 1 22 LEU HB2 1 34 PHE QD . . 4.350 3.991 3.904 4.083 . 0 0 "[ . 1 . 2]" 2
1159 1 34 PHE QD 1 43 LEU HB2 . . 3.590 2.353 2.312 2.392 . 0 0 "[ . 1 . 2]" 2
1160 1 33 CYS HA 1 35 LEU HG . . 3.790 3.446 3.409 3.507 . 0 0 "[ . 1 . 2]" 2
1161 1 33 CYS HA 1 35 LEU MD1 . . 3.940 3.475 3.348 3.540 . 0 0 "[ . 1 . 2]" 2
1162 1 33 CYS HA 1 35 LEU MD2 . . 4.100 4.044 3.875 4.120 0.020 15 0 "[ . 1 . 2]" 2
1163 1 22 LEU MD1 1 31 GLU H . . 5.500 5.528 5.492 5.561 0.061 17 0 "[ . 1 . 2]" 2
1164 1 22 LEU MD1 1 23 GLU H . . 4.440 4.133 4.041 4.185 . 0 0 "[ . 1 . 2]" 2
1165 1 22 LEU MD1 1 29 TRP HE3 . . 4.390 4.187 4.112 4.237 . 0 0 "[ . 1 . 2]" 2
1166 1 22 LEU MD1 1 48 PHE QE . . 4.090 3.362 3.155 3.710 . 0 0 "[ . 1 . 2]" 2
1167 1 22 LEU MD1 1 24 TYR QE . . 4.100 3.109 3.025 3.201 . 0 0 "[ . 1 . 2]" 2
1168 1 22 LEU MD1 1 34 PHE QD . . 3.560 1.974 1.870 2.049 . 0 0 "[ . 1 . 2]" 2
1169 1 22 LEU MD1 1 34 PHE QE . . 4.170 2.795 2.751 2.831 . 0 0 "[ . 1 . 2]" 2
1170 1 22 LEU HA 1 22 LEU MD1 . . 3.940 3.722 3.712 3.732 . 0 0 "[ . 1 . 2]" 2
1171 1 22 LEU MD1 1 44 GLY HA2 . . 3.220 1.902 1.811 2.015 . 0 0 "[ . 1 . 2]" 2
1172 1 22 LEU MD1 1 34 PHE HB3 . . 3.550 2.036 1.973 2.126 . 0 0 "[ . 1 . 2]" 2
1173 1 22 LEU MD1 1 29 TRP HB2 . . 4.260 3.745 3.685 3.800 . 0 0 "[ . 1 . 2]" 2
1174 1 22 LEU MD1 1 34 PHE HB2 . . 3.370 2.666 2.576 2.762 . 0 0 "[ . 1 . 2]" 2
1175 1 22 LEU HB2 1 22 LEU MD1 . . 3.250 2.526 2.508 2.548 . 0 0 "[ . 1 . 2]" 2
1176 1 29 TRP HZ3 1 34 PHE QE . . 4.680 3.523 3.293 3.924 . 0 0 "[ . 1 . 2]" 2
1177 1 34 PHE QE 1 48 PHE QD . . 4.890 3.385 3.203 3.544 . 0 0 "[ . 1 . 2]" 2
1178 1 24 TYR HB3 1 34 PHE QE . . 5.330 4.568 4.397 4.875 . 0 0 "[ . 1 . 2]" 2
1179 1 34 PHE QE 1 43 LEU HG . . 4.680 4.625 4.452 4.697 0.017 12 0 "[ . 1 . 2]" 2
1180 1 34 PHE QE 1 43 LEU HB3 . . 4.200 3.311 3.197 3.492 . 0 0 "[ . 1 . 2]" 2
1181 1 35 LEU MD1 1 36 CYS H . . 4.600 4.300 4.224 4.374 . 0 0 "[ . 1 . 2]" 2
1182 1 35 LEU MD1 1 40 GLU H . . 5.500 5.517 5.465 5.544 0.044 14 0 "[ . 1 . 2]" 2
1183 1 35 LEU H 1 35 LEU MD1 . . 4.120 3.671 3.502 3.820 . 0 0 "[ . 1 . 2]" 2
1184 1 35 LEU HA 1 35 LEU MD1 . . 4.040 3.974 3.964 4.003 . 0 0 "[ . 1 . 2]" 2
1185 1 35 LEU MD1 1 40 GLU HA . . 3.740 3.509 3.456 3.539 . 0 0 "[ . 1 . 2]" 2
1186 1 35 LEU MD1 1 40 GLU QB . . 3.420 3.256 3.118 3.433 0.013 2 0 "[ . 1 . 2]" 2
1187 1 35 LEU MD1 1 42 PRO HB3 . . 5.320 4.932 4.782 5.079 . 0 0 "[ . 1 . 2]" 2
1188 1 43 LEU MD1 1 48 PHE QD . . 3.930 2.884 2.723 3.040 . 0 0 "[ . 1 . 2]" 2
1189 1 43 LEU MD1 1 55 HIS HD2 . . 5.060 4.806 4.641 5.045 . 0 0 "[ . 1 . 2]" 2
1190 1 34 PHE QD 1 43 LEU MD1 . . 4.040 3.861 3.760 4.008 . 0 0 "[ . 1 . 2]" 2
1191 1 34 PHE QE 1 43 LEU MD1 . . 3.810 2.955 2.793 3.156 . 0 0 "[ . 1 . 2]" 2
1192 1 35 LEU HA 1 43 LEU MD1 . . 4.350 4.052 3.850 4.257 . 0 0 "[ . 1 . 2]" 2
1193 1 36 CYS HA 1 43 LEU MD1 . . 3.100 2.142 2.003 2.347 . 0 0 "[ . 1 . 2]" 2
1194 1 43 LEU MD1 1 57 CYS HB2 . . 5.110 4.550 4.347 4.810 . 0 0 "[ . 1 . 2]" 2
1195 1 43 LEU MD1 1 60 CYS HB2 . . 5.500 5.001 4.881 5.131 . 0 0 "[ . 1 . 2]" 2
1196 1 43 LEU MD1 1 57 CYS HB3 . . 3.900 3.291 3.070 3.556 . 0 0 "[ . 1 . 2]" 2
1197 1 43 LEU MD1 1 48 PHE HB3 . . 3.320 2.047 1.964 2.267 . 0 0 "[ . 1 . 2]" 2
1198 1 43 LEU MD1 1 48 PHE HB2 . . 3.510 2.120 1.997 2.323 . 0 0 "[ . 1 . 2]" 2
1199 1 43 LEU MD1 1 55 HIS HB3 . . 3.670 2.459 2.336 2.597 . 0 0 "[ . 1 . 2]" 2
1200 1 43 LEU MD1 1 55 HIS HB2 . . 3.530 2.646 2.465 2.870 . 0 0 "[ . 1 . 2]" 2
1201 1 43 LEU MD1 1 46 ARG QB . . 5.500 5.082 4.459 5.624 0.124 9 0 "[ . 1 . 2]" 2
1202 1 43 LEU HB3 1 43 LEU MD1 . . 3.250 2.377 2.269 2.457 . 0 0 "[ . 1 . 2]" 2
1203 1 43 LEU HB2 1 43 LEU MD1 . . 3.430 2.290 2.213 2.382 . 0 0 "[ . 1 . 2]" 2
1204 1 35 LEU HB3 1 43 LEU MD1 . . 5.500 5.266 5.152 5.413 . 0 0 "[ . 1 . 2]" 2
1205 1 21 LYS HA 1 30 HIS HA . . 3.800 2.863 2.644 3.022 . 0 0 "[ . 1 . 2]" 2
1206 1 30 HIS HA 1 31 GLU HB2 . . 4.490 4.369 4.294 4.402 . 0 0 "[ . 1 . 2]" 2
1207 1 36 CYS HA 1 57 CYS H . . 4.450 4.495 4.480 4.511 0.061 9 0 "[ . 1 . 2]" 2
1208 1 36 CYS HA 1 38 GLY H . . 4.240 3.853 3.814 3.891 . 0 0 "[ . 1 . 2]" 2
1209 1 36 CYS HA 1 43 LEU HG . . 4.140 3.381 3.262 3.510 . 0 0 "[ . 1 . 2]" 2
1210 1 36 CYS HA 1 43 LEU MD2 . . 3.780 3.798 3.763 3.828 0.048 4 0 "[ . 1 . 2]" 2
1211 1 64 LYS HA 1 64 LYS HG2 . . 4.100 3.673 3.289 3.930 . 0 0 "[ . 1 . 2]" 2
1212 1 64 LYS HE2 1 65 PHE HZ . . 5.490 4.513 3.261 5.498 0.008 13 0 "[ . 1 . 2]" 2
1213 1 64 LYS HD3 1 65 PHE HZ . . 4.790 4.431 4.008 4.795 0.005 10 0 "[ . 1 . 2]" 2
1214 1 49 VAL HA 1 50 PRO HD3 . . 2.790 2.363 2.337 2.381 . 0 0 "[ . 1 . 2]" 2
1215 1 49 VAL HA 1 50 PRO HG2 . . 4.430 4.151 4.142 4.166 . 0 0 "[ . 1 . 2]" 2
1216 1 49 VAL HA 1 50 PRO HD2 . . 2.760 1.947 1.937 1.966 . 0 0 "[ . 1 . 2]" 2
1217 1 47 SER HA 1 48 PHE QD . . 3.890 3.078 2.920 3.248 . 0 0 "[ . 1 . 2]" 2
1218 1 48 PHE QD 1 49 VAL HA . . 4.420 3.692 3.516 3.835 . 0 0 "[ . 1 . 2]" 2
1219 1 61 TYR QD 1 62 GLU HA . . 3.750 3.657 3.382 3.766 0.016 4 0 "[ . 1 . 2]" 2
1220 1 61 TYR HB3 1 62 GLU HA . . 4.460 4.277 4.234 4.316 . 0 0 "[ . 1 . 2]" 2
1221 1 62 GLU HA 1 62 GLU HG3 . . 3.570 3.228 3.142 3.327 . 0 0 "[ . 1 . 2]" 2
1222 1 62 GLU HA 1 62 GLU HG2 . . 3.120 2.373 2.322 2.408 . 0 0 "[ . 1 . 2]" 2
1223 1 62 GLU HA 1 62 GLU HB3 . . 2.990 2.515 2.500 2.538 . 0 0 "[ . 1 . 2]" 2
1224 1 62 GLU HA 1 66 ALA MB . . 4.600 4.325 3.658 4.594 . 0 0 "[ . 1 . 2]" 2
1225 1 58 VAL MG1 1 62 GLU HA . . 5.500 5.558 5.542 5.579 0.079 12 0 "[ . 1 . 2]" 2
1226 1 62 GLU HA 1 65 PHE HB3 . . 4.600 4.404 4.138 4.573 . 0 0 "[ . 1 . 2]" 2
1227 1 22 LEU MD2 1 29 TRP HE3 . . 5.200 5.066 4.997 5.166 . 0 0 "[ . 1 . 2]" 2
1228 1 22 LEU MD2 1 48 PHE QE . . 4.140 3.910 3.745 4.116 . 0 0 "[ . 1 . 2]" 2
1229 1 22 LEU MD2 1 34 PHE QD . . 4.310 4.227 4.181 4.283 . 0 0 "[ . 1 . 2]" 2
1230 1 22 LEU HA 1 22 LEU MD2 . . 3.240 1.907 1.876 1.926 . 0 0 "[ . 1 . 2]" 2
1231 1 22 LEU MD2 1 44 GLY HA3 . . 4.670 4.508 4.229 4.632 . 0 0 "[ . 1 . 2]" 2
1232 1 22 LEU MD2 1 44 GLY HA2 . . 3.420 3.319 3.013 3.447 0.027 12 0 "[ . 1 . 2]" 2
1233 1 22 LEU MD2 1 24 TYR HB2 . . 5.500 5.391 5.327 5.470 . 0 0 "[ . 1 . 2]" 2
1234 1 22 LEU MD2 1 34 PHE HB3 . . 5.070 4.833 4.775 4.890 . 0 0 "[ . 1 . 2]" 2
1235 1 22 LEU MD2 1 29 TRP HB2 . . 5.480 5.289 5.232 5.343 . 0 0 "[ . 1 . 2]" 2
1236 1 22 LEU MD2 1 31 GLU QG . . 4.460 4.434 4.305 4.510 0.050 11 0 "[ . 1 . 2]" 2
1237 1 22 LEU MD2 1 23 GLU HB2 . . 5.060 4.871 4.694 4.960 . 0 0 "[ . 1 . 2]" 2
1238 1 39 CYS H 1 40 GLU HA . . 4.370 4.251 4.215 4.293 . 0 0 "[ . 1 . 2]" 2
1239 1 36 CYS HB2 1 40 GLU HA . . 5.170 4.992 4.911 5.056 . 0 0 "[ . 1 . 2]" 2
1240 1 40 GLU HA 1 40 GLU HG2 . . 3.610 2.797 2.346 3.497 . 0 0 "[ . 1 . 2]" 2
1241 1 35 LEU HB2 1 40 GLU HA . . 3.640 3.304 3.164 3.360 . 0 0 "[ . 1 . 2]" 2
1242 1 35 LEU HB3 1 40 GLU HA . . 3.040 2.744 2.634 2.836 . 0 0 "[ . 1 . 2]" 2
1243 1 35 LEU MD2 1 40 GLU HA . . 4.300 4.172 4.065 4.278 . 0 0 "[ . 1 . 2]" 2
1244 1 19 SER HA 1 20 ARG QB . . 4.480 4.342 4.150 4.497 0.017 13 0 "[ . 1 . 2]" 2
1245 1 58 VAL MG2 1 61 TYR H . . 5.500 5.498 5.487 5.504 0.004 10 0 "[ . 1 . 2]" 2
1246 1 48 PHE HA 1 58 VAL MG2 . . 3.820 3.537 3.466 3.588 . 0 0 "[ . 1 . 2]" 2
1247 1 58 VAL MG2 1 59 PRO HD2 . . 4.170 3.926 3.910 3.939 . 0 0 "[ . 1 . 2]" 2
1248 1 58 VAL HA 1 58 VAL MG2 . . 2.600 2.030 2.020 2.045 . 0 0 "[ . 1 . 2]" 2
1249 1 57 CYS HB3 1 58 VAL MG2 . . 5.500 5.527 5.489 5.580 0.080 18 0 "[ . 1 . 2]" 2
1250 1 58 VAL MG2 1 61 TYR HB2 . . 5.500 5.570 5.541 5.581 0.081 12 0 "[ . 1 . 2]" 2
1251 1 58 VAL MG2 1 62 GLU HG3 . . 4.510 4.482 4.366 4.550 0.040 18 0 "[ . 1 . 2]" 2
1252 1 49 VAL MG1 1 58 VAL MG2 . . 5.400 5.404 5.365 5.428 0.028 20 0 "[ . 1 . 2]" 2
1253 1 47 SER HA 1 58 VAL MG2 . . 4.880 4.644 4.104 4.920 0.040 20 0 "[ . 1 . 2]" 2
1254 1 58 VAL MG2 1 61 TYR HB3 . . 4.740 4.762 4.748 4.774 0.034 10 0 "[ . 1 . 2]" 2
1255 1 48 PHE HB3 1 58 VAL MG2 . . 5.500 5.291 5.215 5.366 . 0 0 "[ . 1 . 2]" 2
1256 1 46 ARG QB 1 58 VAL MG2 . . 5.370 5.150 4.732 5.407 0.037 19 0 "[ . 1 . 2]" 2
1257 1 43 LEU MD2 1 57 CYS H . . 3.650 3.497 3.370 3.599 . 0 0 "[ . 1 . 2]" 2
1258 1 37 SER H 1 43 LEU MD2 . . 5.500 5.337 5.297 5.369 . 0 0 "[ . 1 . 2]" 2
1259 1 43 LEU MD2 1 44 GLY H . . 4.860 4.530 4.429 4.609 . 0 0 "[ . 1 . 2]" 2
1260 1 43 LEU MD2 1 58 VAL H . . 4.310 4.338 4.290 4.370 0.060 9 0 "[ . 1 . 2]" 2
1261 1 36 CYS H 1 43 LEU MD2 . . 3.890 3.641 3.558 3.739 . 0 0 "[ . 1 . 2]" 2
1262 1 43 LEU MD2 1 48 PHE QD . . 4.120 3.916 3.719 4.027 . 0 0 "[ . 1 . 2]" 2
1263 1 34 PHE QD 1 43 LEU MD2 . . 4.990 4.995 4.962 5.021 0.031 9 0 "[ . 1 . 2]" 2
1264 1 35 LEU HA 1 43 LEU MD2 . . 4.370 4.228 4.150 4.289 . 0 0 "[ . 1 . 2]" 2
1265 1 43 LEU HA 1 43 LEU MD2 . . 2.750 1.996 1.936 2.095 . 0 0 "[ . 1 . 2]" 2
1266 1 43 LEU MD2 1 57 CYS HB2 . . 3.340 3.294 3.220 3.329 . 0 0 "[ . 1 . 2]" 2
1267 1 43 LEU MD2 1 57 CYS HB3 . . 3.000 2.031 1.926 2.099 . 0 0 "[ . 1 . 2]" 2
1268 1 36 CYS HB2 1 43 LEU MD2 . . 2.970 2.005 1.950 2.078 . 0 0 "[ . 1 . 2]" 2
1269 1 43 LEU MD2 1 48 PHE HB2 . . 3.580 3.389 3.169 3.567 . 0 0 "[ . 1 . 2]" 2
1270 1 41 GLN QG 1 43 LEU MD2 . . 4.690 4.259 4.146 4.367 . 0 0 "[ . 1 . 2]" 2
1271 1 43 LEU MD2 1 55 HIS HB2 . . 5.400 5.147 4.950 5.335 . 0 0 "[ . 1 . 2]" 2
1272 1 43 LEU MD2 1 46 ARG QB . . 3.780 3.161 2.442 3.757 . 0 0 "[ . 1 . 2]" 2
1273 1 43 LEU MD2 1 46 ARG HG2 . . 4.750 3.795 2.750 4.807 0.057 19 0 "[ . 1 . 2]" 2
1274 1 43 LEU MD2 1 46 ARG HG3 . . 4.750 2.784 1.960 3.753 . 0 0 "[ . 1 . 2]" 2
1275 1 43 LEU HB3 1 43 LEU MD2 . . 2.980 2.436 2.388 2.483 . 0 0 "[ . 1 . 2]" 2
1276 1 43 LEU MD2 1 55 HIS HB3 . . 5.250 5.048 4.857 5.240 . 0 0 "[ . 1 . 2]" 2
1277 1 8 CYS HA 1 29 TRP HA . . 3.350 2.965 2.876 3.034 . 0 0 "[ . 1 . 2]" 2
1278 1 8 CYS HA 1 9 SER HA . . 5.140 4.360 4.356 4.365 . 0 0 "[ . 1 . 2]" 2
1279 1 8 CYS HA 1 9 SER HB3 . . 5.030 4.659 4.419 4.930 . 0 0 "[ . 1 . 2]" 2
1280 1 64 LYS HA 1 64 LYS HB2 . . 3.010 2.330 2.307 2.354 . 0 0 "[ . 1 . 2]" 2
1281 1 21 LYS HG2 1 22 LEU H . . 4.870 4.485 4.308 4.713 . 0 0 "[ . 1 . 2]" 2
1282 1 17 PRO HA 1 21 LYS HG2 . . 4.800 3.879 3.016 4.610 . 0 0 "[ . 1 . 2]" 2
1283 1 21 LYS HG3 1 22 LEU H . . 4.330 3.336 3.059 3.819 . 0 0 "[ . 1 . 2]" 2
1284 1 21 LYS HG3 1 22 LEU HA . . 4.690 3.749 3.512 4.279 . 0 0 "[ . 1 . 2]" 2
1285 1 21 LYS HG3 1 23 GLU HG3 . . 4.410 3.435 2.879 4.389 . 0 0 "[ . 1 . 2]" 2
1286 1 21 LYS HA 1 21 LYS HG3 . . 4.230 3.652 3.620 3.700 . 0 0 "[ . 1 . 2]" 2
1287 1 31 GLU QG 1 32 HIS HA . . 5.170 4.731 4.447 5.149 . 0 0 "[ . 1 . 2]" 2
1288 1 32 HIS HA 1 35 LEU MD2 . . 4.730 3.795 3.645 4.001 . 0 0 "[ . 1 . 2]" 2
1289 1 52 LYS HA 1 52 LYS QE . . 4.970 4.479 3.319 4.940 . 0 0 "[ . 1 . 2]" 2
1290 1 52 LYS HA 1 52 LYS HD2 . . 4.690 4.307 3.179 4.686 . 0 0 "[ . 1 . 2]" 2
1291 1 52 LYS HA 1 52 LYS HG2 . . 3.720 2.571 2.207 3.499 . 0 0 "[ . 1 . 2]" 2
1292 1 52 LYS HA 1 52 LYS HG3 . . 3.720 2.973 2.185 3.717 . 0 0 "[ . 1 . 2]" 2
1293 1 14 THR MG 1 16 MET HA . . 4.060 3.760 3.433 3.918 . 0 0 "[ . 1 . 2]" 2
1294 1 14 THR HA 1 14 THR MG . . 2.900 2.373 2.302 2.454 . 0 0 "[ . 1 . 2]" 2
1295 1 6 SER QB 1 14 THR MG . . 4.580 4.436 3.917 4.574 . 0 0 "[ . 1 . 2]" 2
1296 1 14 THR MG 1 15 VAL HB . . 4.760 4.543 4.436 4.680 . 0 0 "[ . 1 . 2]" 2
1297 1 28 THR MG 1 29 TRP HB2 . . 4.720 4.619 4.501 4.728 0.008 12 0 "[ . 1 . 2]" 2
1298 1 28 THR MG 1 29 TRP HE3 . . 4.760 4.586 4.353 4.748 . 0 0 "[ . 1 . 2]" 2
1299 1 28 THR MG 1 29 TRP HA . . 4.250 3.548 3.371 3.724 . 0 0 "[ . 1 . 2]" 2
1300 1 23 GLU HA 1 28 THR MG . . 4.000 3.626 3.502 3.779 . 0 0 "[ . 1 . 2]" 2
1301 1 28 THR HA 1 28 THR MG . . 3.000 2.421 2.319 2.498 . 0 0 "[ . 1 . 2]" 2
1302 1 8 CYS HA 1 28 THR MG . . 4.060 3.529 3.305 3.741 . 0 0 "[ . 1 . 2]" 2
1303 1 6 SER QB 1 28 THR MG . . 4.060 3.311 3.016 3.750 . 0 0 "[ . 1 . 2]" 2
1304 1 7 GLY HA3 1 28 THR MG . . 5.500 5.487 5.358 5.551 0.051 17 0 "[ . 1 . 2]" 2
1305 1 28 THR MG 1 29 TRP HB3 . . 5.500 5.186 5.084 5.301 . 0 0 "[ . 1 . 2]" 2
1306 1 21 LYS QE 1 28 THR MG . . 3.890 3.426 1.912 3.900 0.010 20 0 "[ . 1 . 2]" 2
1307 1 23 GLU HG2 1 28 THR MG . . 3.540 2.013 1.946 2.232 . 0 0 "[ . 1 . 2]" 2
1308 1 23 GLU HG3 1 28 THR MG . . 3.850 2.897 2.409 3.320 . 0 0 "[ . 1 . 2]" 2
1309 1 20 ARG HA 1 21 LYS HA . . 4.680 4.398 4.374 4.462 . 0 0 "[ . 1 . 2]" 2
1310 1 20 ARG HA 1 20 ARG HG3 . . 3.760 2.729 2.160 3.698 . 0 0 "[ . 1 . 2]" 2
1311 1 34 PHE HA 1 34 PHE QE . . 4.750 4.422 4.406 4.447 . 0 0 "[ . 1 . 2]" 2
1312 1 34 PHE HA 1 34 PHE QD . . 3.120 2.528 2.466 2.568 . 0 0 "[ . 1 . 2]" 2
1313 1 33 CYS HB3 1 34 PHE HA . . 4.920 4.181 4.125 4.250 . 0 0 "[ . 1 . 2]" 2
1314 1 29 TRP HB2 1 34 PHE HA . . 4.650 3.494 3.361 3.591 . 0 0 "[ . 1 . 2]" 2
1315 1 34 PHE HA 1 35 LEU HB2 . . 5.040 4.881 4.837 4.947 . 0 0 "[ . 1 . 2]" 2
1316 1 34 PHE HA 1 35 LEU HG . . 4.220 3.937 3.799 4.012 . 0 0 "[ . 1 . 2]" 2
1317 1 34 PHE HA 1 35 LEU MD1 . . 5.160 4.999 4.792 5.109 . 0 0 "[ . 1 . 2]" 2
1318 1 22 LEU MD1 1 34 PHE HA . . 4.640 4.316 4.243 4.381 . 0 0 "[ . 1 . 2]" 2
1319 1 29 TRP HA 1 29 TRP HE3 . . 4.610 4.452 4.385 4.509 . 0 0 "[ . 1 . 2]" 2
1320 1 29 TRP HA 1 33 CYS HB3 . . 4.330 4.212 4.132 4.344 0.014 11 0 "[ . 1 . 2]" 2
1321 1 10 ALA MB 1 29 TRP HE1 . . 3.790 3.709 3.447 3.825 0.035 15 0 "[ . 1 . 2]" 2
1322 1 10 ALA MB 1 29 TRP HD1 . . 2.830 1.973 1.935 2.013 . 0 0 "[ . 1 . 2]" 2
1323 1 10 ALA MB 1 11 CYS HA . . 4.120 3.899 3.833 3.972 . 0 0 "[ . 1 . 2]" 2
1324 1 10 ALA MB 1 33 CYS HA . . 3.840 3.616 3.517 3.748 . 0 0 "[ . 1 . 2]" 2
1325 1 10 ALA MB 1 34 PHE HA . . 4.380 4.345 4.257 4.401 0.021 15 0 "[ . 1 . 2]" 2
1326 1 10 ALA MB 1 33 CYS HB3 . . 2.680 1.946 1.896 2.004 . 0 0 "[ . 1 . 2]" 2
1327 1 10 ALA MB 1 11 CYS HB3 . . 3.840 3.637 3.539 3.714 . 0 0 "[ . 1 . 2]" 2
1328 1 10 ALA MB 1 33 CYS HB2 . . 3.170 3.141 3.084 3.195 0.025 14 0 "[ . 1 . 2]" 2
1329 1 15 VAL MG1 1 30 HIS HA . . 3.960 3.055 2.793 3.205 . 0 0 "[ . 1 . 2]" 2
1330 1 15 VAL HA 1 15 VAL MG1 . . 2.970 2.319 2.146 2.386 . 0 0 "[ . 1 . 2]" 2
1331 1 35 LEU MD2 1 36 CYS H . . 3.830 3.571 3.428 3.799 . 0 0 "[ . 1 . 2]" 2
1332 1 35 LEU MD2 1 43 LEU H . . 3.940 3.605 3.500 3.760 . 0 0 "[ . 1 . 2]" 2
1333 1 34 PHE H 1 35 LEU MD2 . . 4.700 4.519 4.292 4.707 0.007 11 0 "[ . 1 . 2]" 2
1334 1 35 LEU MD2 1 42 PRO HA . . 2.620 1.978 1.919 2.137 . 0 0 "[ . 1 . 2]" 2
1335 1 35 LEU MD2 1 42 PRO HD3 . . 3.670 2.822 2.697 2.897 . 0 0 "[ . 1 . 2]" 2
1336 1 35 LEU MD2 1 42 PRO HB2 . . 3.880 3.683 3.593 3.778 . 0 0 "[ . 1 . 2]" 2
1337 1 35 LEU MD2 1 42 PRO HG2 . . 4.440 4.410 4.321 4.464 0.024 9 0 "[ . 1 . 2]" 2
1338 1 35 LEU MD2 1 42 PRO HB3 . . 3.240 2.482 2.377 2.559 . 0 0 "[ . 1 . 2]" 2
1339 1 35 LEU HB2 1 35 LEU MD2 . . 3.440 3.149 3.129 3.164 . 0 0 "[ . 1 . 2]" 2
1340 1 35 LEU H 1 35 LEU MD2 . . 3.990 3.855 3.782 3.966 . 0 0 "[ . 1 . 2]" 2
1341 1 35 LEU MD2 1 41 GLN HA . . 3.910 3.297 3.101 3.444 . 0 0 "[ . 1 . 2]" 2
1342 1 56 TYR HA 1 56 TYR QD . . 3.330 2.539 2.488 2.616 . 0 0 "[ . 1 . 2]" 2
1343 1 56 TYR HA 1 56 TYR QE . . 4.800 4.524 4.501 4.555 . 0 0 "[ . 1 . 2]" 2
1344 1 56 TYR HA 1 57 CYS HA . . 4.520 4.346 4.341 4.352 . 0 0 "[ . 1 . 2]" 2
1345 1 36 CYS HA 1 56 TYR HA . . 3.760 3.778 3.742 3.803 0.043 20 0 "[ . 1 . 2]" 2
1346 1 56 TYR HA 1 60 CYS HB3 . . 3.930 3.002 2.921 3.087 . 0 0 "[ . 1 . 2]" 2
1347 1 43 LEU MD2 1 56 TYR HA . . 4.820 4.627 4.528 4.732 . 0 0 "[ . 1 . 2]" 2
1348 1 43 LEU MD1 1 56 TYR HA . . 4.160 3.488 3.419 3.576 . 0 0 "[ . 1 . 2]" 2
1349 1 53 GLY H 1 54 ALA MB . . 5.330 4.632 4.542 4.685 . 0 0 "[ . 1 . 2]" 2
1350 1 37 SER H 1 54 ALA MB . . 4.680 4.384 4.225 4.465 . 0 0 "[ . 1 . 2]" 2
1351 1 51 ASP H 1 54 ALA MB . . 4.330 3.774 3.621 3.947 . 0 0 "[ . 1 . 2]" 2
1352 1 54 ALA MB 1 55 HIS H . . 3.140 3.086 2.907 3.151 0.011 5 0 "[ . 1 . 2]" 2
1353 1 54 ALA MB 1 56 TYR QD . . 4.090 3.220 3.096 3.371 . 0 0 "[ . 1 . 2]" 2
1354 1 37 SER HB2 1 54 ALA MB . . 3.570 2.698 2.311 3.026 . 0 0 "[ . 1 . 2]" 2
1355 1 37 SER HB3 1 54 ALA MB . . 3.570 2.734 2.387 3.241 . 0 0 "[ . 1 . 2]" 2
1356 1 51 ASP HB3 1 54 ALA MB . . 3.680 2.871 2.436 3.360 . 0 0 "[ . 1 . 2]" 2
1357 1 51 ASP HB2 1 54 ALA MB . . 4.610 4.208 3.856 4.537 . 0 0 "[ . 1 . 2]" 2
1358 1 52 LYS QB 1 54 ALA MB . . 4.670 3.539 3.213 3.777 . 0 0 "[ . 1 . 2]" 2
1359 1 58 VAL MG1 1 61 TYR QD . . 5.000 4.862 4.794 4.974 . 0 0 "[ . 1 . 2]" 2
1360 1 58 VAL MG1 1 59 PRO HD3 . . 3.330 2.233 2.197 2.271 . 0 0 "[ . 1 . 2]" 2
1361 1 58 VAL MG1 1 62 GLU HG3 . . 3.280 2.791 2.689 2.884 . 0 0 "[ . 1 . 2]" 2
1362 1 58 VAL MG1 1 62 GLU HB2 . . 4.280 3.679 3.559 3.830 . 0 0 "[ . 1 . 2]" 2
1363 1 58 VAL MG1 1 59 PRO HG3 . . 4.240 4.014 3.978 4.053 . 0 0 "[ . 1 . 2]" 2
1364 1 21 LYS QD 1 28 THR MG . . 3.100 2.191 2.063 2.414 . 0 0 "[ . 1 . 2]" 2
1365 1 21 LYS QB 1 28 THR MG . . 3.180 2.794 2.596 2.920 . 0 0 "[ . 1 . 2]" 2
1366 1 15 VAL HB 1 28 THR MG . . 3.460 2.193 1.972 2.489 . 0 0 "[ . 1 . 2]" 2
1367 1 15 VAL MG1 1 21 LYS QD . . 4.480 1.831 1.690 1.921 . 0 0 "[ . 1 . 2]" 2
1368 1 15 VAL MG1 1 21 LYS QB . . 4.030 1.850 1.714 1.983 . 0 0 "[ . 1 . 2]" 2
1369 1 15 VAL MG1 1 28 THR MG . . 3.150 2.290 2.081 2.698 . 0 0 "[ . 1 . 2]" 2
1370 1 29 TRP HA 1 33 CYS HB2 . . 4.410 3.765 3.726 3.805 . 0 0 "[ . 1 . 2]" 2
1371 1 35 LEU HB2 1 35 LEU MD1 . . 2.860 2.166 2.070 2.237 . 0 0 "[ . 1 . 2]" 2
1372 1 15 VAL MG2 1 30 HIS H . . 4.760 3.541 3.340 3.719 . 0 0 "[ . 1 . 2]" 2
1373 1 49 VAL MG2 1 58 VAL MG2 . . 3.280 3.307 3.292 3.318 0.038 11 0 "[ . 1 . 2]" 2
1374 1 49 VAL MG2 1 58 VAL MG1 . . 4.380 4.310 4.286 4.347 . 0 0 "[ . 1 . 2]" 2
1375 1 65 PHE HB2 1 66 ALA MB . . 5.120 4.615 3.935 5.100 . 0 0 "[ . 1 . 2]" 2
1376 1 10 ALA MB 1 29 TRP HB3 . . 4.100 3.537 3.434 3.610 . 0 0 "[ . 1 . 2]" 2
1377 1 9 SER HB3 1 10 ALA MB . . 5.500 4.231 4.139 4.337 . 0 0 "[ . 1 . 2]" 2
1378 1 34 PHE QE 1 55 HIS HB2 . . 4.870 4.325 4.176 4.480 . 0 0 "[ . 1 . 2]" 2
1379 1 48 PHE QD 1 55 HIS HB3 . . 4.100 2.742 2.638 2.804 . 0 0 "[ . 1 . 2]" 2
1380 1 43 LEU HB3 1 48 PHE QD . . 4.420 2.620 2.461 2.879 . 0 0 "[ . 1 . 2]" 2
1381 1 35 LEU HA 1 43 LEU HB2 . . 4.790 4.180 4.077 4.259 . 0 0 "[ . 1 . 2]" 2
1382 1 48 PHE QE 1 50 PRO HD2 . . 4.830 4.666 4.438 4.845 0.015 10 0 "[ . 1 . 2]" 2
1383 1 6 SER HA 1 28 THR MG . . 5.210 4.944 4.148 5.227 0.017 19 0 "[ . 1 . 2]" 2
1384 1 22 LEU HB3 1 29 TRP HE3 . . 4.250 3.200 3.128 3.301 . 0 0 "[ . 1 . 2]" 2
1385 1 39 CYS H 1 56 TYR QE . . 5.500 5.522 5.450 5.563 0.063 20 0 "[ . 1 . 2]" 2
1386 1 61 TYR QD 1 64 LYS HD3 . . 4.880 3.279 2.659 4.213 . 0 0 "[ . 1 . 2]" 2
1387 1 58 VAL MG2 1 61 TYR QD . . 5.150 5.082 5.008 5.174 0.024 15 0 "[ . 1 . 2]" 2
1388 1 8 CYS H 1 12 GLY HA2 . . 4.670 4.309 4.204 4.357 . 0 0 "[ . 1 . 2]" 2
1389 1 15 VAL HA 1 16 MET HG2 . . 5.490 4.395 3.917 5.082 . 0 0 "[ . 1 . 2]" 2
1390 1 16 MET HB2 1 19 SER QB . . 4.070 3.343 2.853 3.933 . 0 0 "[ . 1 . 2]" 2
1391 1 16 MET HB3 1 19 SER QB . . 5.010 4.329 3.857 4.953 . 0 0 "[ . 1 . 2]" 2
1392 1 20 ARG HA 1 21 LYS HG2 . . 4.550 4.139 3.834 4.398 . 0 0 "[ . 1 . 2]" 2
1393 1 21 LYS HA 1 22 LEU MD1 . . 5.500 5.394 5.356 5.435 . 0 0 "[ . 1 . 2]" 2
1394 1 27 GLN HB3 1 29 TRP HZ3 . . 4.130 3.802 3.403 4.112 . 0 0 "[ . 1 . 2]" 2
1395 1 34 PHE HA 1 35 LEU HA . . 4.800 4.398 4.391 4.411 . 0 0 "[ . 1 . 2]" 2
1396 1 36 CYS HB2 1 57 CYS HA . . 4.850 4.659 4.593 4.691 . 0 0 "[ . 1 . 2]" 2
1397 1 37 SER HB3 1 38 GLY H . . 4.680 4.161 4.002 4.435 . 0 0 "[ . 1 . 2]" 2
1398 1 34 PHE QE 1 43 LEU HB2 . . 4.610 2.522 2.385 2.643 . 0 0 "[ . 1 . 2]" 2
1399 1 22 LEU MD1 1 43 LEU HB2 . . 4.040 3.667 3.570 3.760 . 0 0 "[ . 1 . 2]" 2
1400 1 50 PRO HG3 1 55 HIS HD2 . . 5.450 5.138 4.697 5.391 . 0 0 "[ . 1 . 2]" 2
1401 1 50 PRO HA 1 55 HIS HB3 . . 4.760 4.149 4.025 4.271 . 0 0 "[ . 1 . 2]" 2
1402 1 49 VAL H 1 56 TYR HB3 . . 4.970 4.958 4.895 5.002 0.032 10 0 "[ . 1 . 2]" 2
1403 1 46 ARG QB 1 57 CYS HB3 . . 5.270 4.818 4.504 5.163 . 0 0 "[ . 1 . 2]" 2
1404 1 59 PRO HA 1 62 GLU HB2 . . 3.350 2.807 2.733 2.884 . 0 0 "[ . 1 . 2]" 2
1405 1 56 TYR HA 1 60 CYS HB2 . . 4.430 3.088 3.030 3.131 . 0 0 "[ . 1 . 2]" 2
1406 1 64 LYS HA 1 64 LYS HG3 . . 4.100 3.286 2.740 3.675 . 0 0 "[ . 1 . 2]" 2
1407 1 64 LYS H 1 64 LYS HG2 . . 4.720 3.233 2.405 4.249 . 0 0 "[ . 1 . 2]" 2
1408 1 64 LYS H 1 64 LYS HG3 . . 4.720 3.971 3.401 4.580 . 0 0 "[ . 1 . 2]" 2
1409 1 48 PHE QD 1 50 PRO HD2 . . 4.660 4.544 4.322 4.697 0.037 11 0 "[ . 1 . 2]" 2
1410 1 34 PHE HZ 1 48 PHE QD . . 4.180 3.979 3.870 4.117 . 0 0 "[ . 1 . 2]" 2
1411 1 61 TYR QE 1 62 GLU H . . 5.500 5.356 5.200 5.457 . 0 0 "[ . 1 . 2]" 2
1412 1 49 VAL HA 1 61 TYR QE . . 5.500 5.420 5.288 5.534 0.034 10 0 "[ . 1 . 2]" 2
1413 1 49 VAL MG1 1 50 PRO HA . . 4.930 4.544 4.454 4.646 . 0 0 "[ . 1 . 2]" 2
1414 1 24 TYR QD 1 25 GLY HA2 . . 5.500 5.390 5.287 5.497 . 0 0 "[ . 1 . 2]" 2
1415 1 24 TYR QD 1 25 GLY HA3 . . 5.500 5.287 5.226 5.341 . 0 0 "[ . 1 . 2]" 2
1416 1 48 PHE QE 1 50 PRO HD3 . . 4.610 3.070 2.786 3.326 . 0 0 "[ . 1 . 2]" 2
1417 1 47 SER HA 1 48 PHE QE . . 5.400 4.622 4.413 4.857 . 0 0 "[ . 1 . 2]" 2
1418 1 48 PHE QE 1 49 VAL HA . . 5.500 4.714 4.589 4.862 . 0 0 "[ . 1 . 2]" 2
1419 1 34 PHE HZ 1 48 PHE QE . . 4.560 2.435 2.174 2.672 . 0 0 "[ . 1 . 2]" 2
1420 1 48 PHE H 1 48 PHE QE . . 4.950 4.408 4.234 4.547 . 0 0 "[ . 1 . 2]" 2
1421 1 8 CYS HB2 1 13 GLU H . . 4.230 4.016 3.497 4.164 . 0 0 "[ . 1 . 2]" 2
1422 1 8 CYS HB2 1 15 VAL H . . 4.230 3.859 3.709 4.127 . 0 0 "[ . 1 . 2]" 2
1423 1 8 CYS HB2 1 30 HIS H . . 4.030 3.920 3.625 4.036 0.006 2 0 "[ . 1 . 2]" 2
1424 1 13 GLU HA 1 14 THR HA . . 5.010 4.381 4.363 4.400 . 0 0 "[ . 1 . 2]" 2
1425 1 6 SER QB 1 15 VAL MG2 . . 4.840 4.464 4.180 4.811 . 0 0 "[ . 1 . 2]" 2
1426 1 21 LYS HG3 1 28 THR MG . . 4.110 3.858 3.251 4.138 0.028 17 0 "[ . 1 . 2]" 2
1427 1 22 LEU MD1 1 23 GLU HA . . 5.500 5.507 5.455 5.525 0.025 14 0 "[ . 1 . 2]" 2
1428 1 22 LEU MD1 1 24 TYR QD . . 4.630 3.342 3.238 3.414 . 0 0 "[ . 1 . 2]" 2
1429 1 7 GLY HA2 1 28 THR MG . . 4.850 4.485 4.348 4.631 . 0 0 "[ . 1 . 2]" 2
1430 1 29 TRP HB3 1 29 TRP HE3 . . 4.150 4.119 4.101 4.141 . 0 0 "[ . 1 . 2]" 2
1431 1 29 TRP HB3 1 33 CYS HB3 . . 3.990 3.248 3.165 3.378 . 0 0 "[ . 1 . 2]" 2
1432 1 10 ALA MB 1 30 HIS HB2 . . 4.870 4.311 4.195 4.428 . 0 0 "[ . 1 . 2]" 2
1433 1 36 CYS HB2 1 41 GLN QG . . 5.150 5.043 4.951 5.138 . 0 0 "[ . 1 . 2]" 2
1434 1 36 CYS HB2 1 43 LEU HB3 . . 5.500 4.989 4.904 5.075 . 0 0 "[ . 1 . 2]" 2
1435 1 36 CYS HB2 1 43 LEU HB2 . . 5.500 4.971 4.891 5.060 . 0 0 "[ . 1 . 2]" 2
1436 1 36 CYS HB3 1 57 CYS HB3 . . 4.600 4.594 4.521 4.632 0.032 1 0 "[ . 1 . 2]" 2
1437 1 37 SER HB2 1 54 ALA HA . . 4.890 3.270 2.953 3.662 . 0 0 "[ . 1 . 2]" 2
1438 1 58 VAL H 1 59 PRO HG2 . . 4.910 4.582 4.516 4.634 . 0 0 "[ . 1 . 2]" 2
1439 1 65 PHE H 1 65 PHE HB3 . . 3.580 3.565 3.529 3.595 0.015 4 0 "[ . 1 . 2]" 2
1440 1 59 PRO HB2 1 60 CYS HB2 . . 5.110 4.949 4.924 4.974 . 0 0 "[ . 1 . 2]" 2
1441 1 16 MET HA 1 16 MET ME . . 3.870 2.841 1.929 3.924 0.054 5 0 "[ . 1 . 2]" 2
1442 1 22 LEU MD2 1 34 PHE QE . . 4.740 4.448 4.410 4.490 . 0 0 "[ . 1 . 2]" 2
1443 1 48 PHE QD 1 49 VAL MG1 . . 5.000 4.934 4.835 5.006 0.006 18 0 "[ . 1 . 2]" 2
1444 1 49 VAL MG2 1 56 TYR QD . . 5.500 5.584 5.564 5.602 0.102 14 0 "[ . 1 . 2]" 2
1445 1 22 LEU HB2 1 31 GLU HA . . 4.830 3.978 3.862 4.008 . 0 0 "[ . 1 . 2]" 2
1446 1 22 LEU HB2 1 44 GLY HA2 . . 5.420 4.514 4.149 4.823 . 0 0 "[ . 1 . 2]" 2
1447 1 22 LEU HG 1 34 PHE QE . . 5.500 5.550 5.531 5.569 0.069 16 0 "[ . 1 . 2]" 2
1448 1 21 LYS HA 1 22 LEU HG . . 4.930 4.334 4.305 4.377 . 0 0 "[ . 1 . 2]" 2
1449 1 21 LYS HA 1 22 LEU HB2 . . 4.790 4.134 4.112 4.175 . 0 0 "[ . 1 . 2]" 2
1450 1 21 LYS HA 1 22 LEU HB3 . . 5.500 5.588 5.575 5.606 0.106 15 0 "[ . 1 . 2]" 2
1451 1 21 LYS HG2 1 28 THR MG . . 4.790 4.602 4.334 4.712 . 0 0 "[ . 1 . 2]" 2
1452 1 14 THR MG 1 17 PRO HD2 . . 5.500 5.279 4.956 5.448 . 0 0 "[ . 1 . 2]" 2
1453 1 64 LYS HE3 1 65 PHE HZ . . 5.490 4.516 3.442 5.480 . 0 0 "[ . 1 . 2]" 2
1454 1 6 SER QB 1 15 VAL MG1 . . 4.840 4.408 3.984 4.790 . 0 0 "[ . 1 . 2]" 2
1455 1 8 CYS HB2 1 14 THR HA . . 5.230 4.967 4.791 5.126 . 0 0 "[ . 1 . 2]" 2
1456 1 13 GLU HB3 1 14 THR HA . . 4.990 4.412 4.380 4.445 . 0 0 "[ . 1 . 2]" 2
1457 1 14 THR MG 1 16 MET HB2 . . 5.450 5.094 4.878 5.376 . 0 0 "[ . 1 . 2]" 2
1458 1 11 CYS HB2 1 13 GLU HB2 . . 4.710 4.331 4.180 4.441 . 0 0 "[ . 1 . 2]" 2
1459 1 10 ALA MB 1 35 LEU MD1 . . 4.950 4.554 4.368 4.744 . 0 0 "[ . 1 . 2]" 2
1460 1 9 SER HA 1 10 ALA MB . . 5.150 4.926 4.887 4.944 . 0 0 "[ . 1 . 2]" 2
1461 1 10 ALA MB 1 29 TRP HA . . 4.830 3.917 3.740 3.973 . 0 0 "[ . 1 . 2]" 2
1462 1 10 ALA MB 1 12 GLY H . . 4.180 3.997 3.950 4.127 . 0 0 "[ . 1 . 2]" 2
1463 1 8 CYS HA 1 9 SER HB2 . . 5.030 4.468 4.255 4.708 . 0 0 "[ . 1 . 2]" 2
1464 1 9 SER HB3 1 27 GLN HE22 . . 5.090 4.593 3.994 5.071 . 0 0 "[ . 1 . 2]" 2
1465 1 7 GLY HA3 1 8 CYS HA . . 4.950 4.708 4.656 4.744 . 0 0 "[ . 1 . 2]" 2
1466 1 7 GLY HA2 1 8 CYS HA . . 4.340 4.300 4.296 4.311 . 0 0 "[ . 1 . 2]" 2
1467 1 41 GLN HA 1 42 PRO HG2 . . 5.150 4.414 4.388 4.450 . 0 0 "[ . 1 . 2]" 2
1468 1 58 VAL HB 1 59 PRO HG3 . . 4.410 4.174 4.157 4.187 . 0 0 "[ . 1 . 2]" 2
1469 1 58 VAL MG2 1 59 PRO HD3 . . 3.810 3.671 3.660 3.682 . 0 0 "[ . 1 . 2]" 2
1470 1 38 GLY HA3 1 60 CYS HB3 . . 3.840 3.394 3.334 3.448 . 0 0 "[ . 1 . 2]" 2
1471 1 57 CYS HA 1 59 PRO HD3 . . 5.270 5.245 5.178 5.301 0.031 11 0 "[ . 1 . 2]" 2
1472 1 57 CYS HA 1 59 PRO HD2 . . 4.190 3.669 3.598 3.729 . 0 0 "[ . 1 . 2]" 2
1473 1 57 CYS HA 1 58 VAL HA . . 4.360 4.302 4.300 4.305 . 0 0 "[ . 1 . 2]" 2
1474 1 58 VAL HA 1 58 VAL MG1 . . 2.900 2.608 2.598 2.616 . 0 0 "[ . 1 . 2]" 2
1475 1 56 TYR HB2 1 60 CYS HB2 . . 4.290 4.134 4.091 4.182 . 0 0 "[ . 1 . 2]" 2
1476 1 46 ARG QB 1 57 CYS HB2 . . 5.270 4.846 4.725 4.980 . 0 0 "[ . 1 . 2]" 2
1477 1 48 PHE HA 1 57 CYS HA . . 3.370 2.039 1.950 2.169 . 0 0 "[ . 1 . 2]" 2
1478 1 48 PHE HB3 1 57 CYS HA . . 4.050 2.568 2.428 2.689 . 0 0 "[ . 1 . 2]" 2
1479 1 48 PHE HB2 1 57 CYS HA . . 4.170 2.442 2.309 2.624 . 0 0 "[ . 1 . 2]" 2
1480 1 57 CYS HA 1 58 VAL HB . . 4.890 4.803 4.756 4.839 . 0 0 "[ . 1 . 2]" 2
1481 1 57 CYS HA 1 58 VAL MG2 . . 4.530 4.428 4.411 4.445 . 0 0 "[ . 1 . 2]" 2
1482 1 43 LEU MD2 1 57 CYS HA . . 3.140 2.830 2.752 2.904 . 0 0 "[ . 1 . 2]" 2
1483 1 43 LEU MD1 1 57 CYS HA . . 3.540 3.016 2.717 3.322 . 0 0 "[ . 1 . 2]" 2
1484 1 39 CYS HB2 1 41 GLN QG . . 3.680 2.512 2.324 2.644 . 0 0 "[ . 1 . 2]" 2
1485 1 6 SER QB 1 15 VAL QG . . 4.250 3.942 3.669 4.193 . 0 0 "[ . 1 . 2]" 2
1486 1 7 GLY HA2 1 15 VAL QG . . 4.040 2.956 2.695 3.205 . 0 0 "[ . 1 . 2]" 2
1487 1 7 GLY HA3 1 15 VAL QG . . 4.420 4.106 3.896 4.321 . 0 0 "[ . 1 . 2]" 2
1488 1 8 CYS H 1 15 VAL QG . . 3.100 2.294 2.116 2.501 . 0 0 "[ . 1 . 2]" 2
1489 1 8 CYS HA 1 9 SER QB . . 4.180 4.045 4.017 4.058 . 0 0 "[ . 1 . 2]" 2
1490 1 8 CYS HA 1 15 VAL QG . . 3.360 2.367 2.184 2.540 . 0 0 "[ . 1 . 2]" 2
1491 1 8 CYS HB2 1 15 VAL QG . . 2.970 2.025 1.890 2.147 . 0 0 "[ . 1 . 2]" 2
1492 1 8 CYS HB3 1 15 VAL QG . . 3.410 3.328 3.176 3.413 0.003 12 0 "[ . 1 . 2]" 2
1493 1 9 SER H 1 9 SER QB . . 2.600 2.318 2.249 2.359 . 0 0 "[ . 1 . 2]" 2
1494 1 9 SER H 1 15 VAL QG . . 4.330 4.102 3.943 4.254 . 0 0 "[ . 1 . 2]" 2
1495 1 9 SER QB 1 10 ALA H . . 3.730 3.216 3.123 3.341 . 0 0 "[ . 1 . 2]" 2
1496 1 9 SER QB 1 10 ALA MB . . 4.780 4.093 4.007 4.193 . 0 0 "[ . 1 . 2]" 2
1497 1 9 SER QB 1 27 GLN HB2 . . 4.400 4.186 3.914 4.413 0.013 14 0 "[ . 1 . 2]" 2
1498 1 9 SER QB 1 27 GLN HB3 . . 3.520 2.813 2.565 3.057 . 0 0 "[ . 1 . 2]" 2
1499 1 9 SER QB 1 27 GLN QE . . 3.770 2.640 1.849 3.800 0.030 9 0 "[ . 1 . 2]" 2
1500 1 9 SER QB 1 28 THR H . . 3.720 2.976 2.782 3.161 . 0 0 "[ . 1 . 2]" 2
1501 1 9 SER QB 1 29 TRP HA . . 4.810 4.192 4.003 4.357 . 0 0 "[ . 1 . 2]" 2
1502 1 9 SER QB 1 29 TRP HD1 . . 4.200 3.179 3.118 3.308 . 0 0 "[ . 1 . 2]" 2
1503 1 9 SER QB 1 29 TRP HE1 . . 3.360 2.114 1.933 2.308 . 0 0 "[ . 1 . 2]" 2
1504 1 10 ALA H 1 15 VAL QG . . 5.240 5.009 4.843 5.114 . 0 0 "[ . 1 . 2]" 2
1505 1 11 CYS H 1 15 VAL QG . . 5.440 5.399 5.268 5.462 0.022 14 0 "[ . 1 . 2]" 2
1506 1 12 GLY H 1 15 VAL QG . . 5.280 5.073 4.938 5.190 . 0 0 "[ . 1 . 2]" 2
1507 1 13 GLU H 1 15 VAL QG . . 5.040 4.954 4.584 5.069 0.029 6 0 "[ . 1 . 2]" 2
1508 1 14 THR H 1 15 VAL QG . . 4.980 4.580 4.416 4.737 . 0 0 "[ . 1 . 2]" 2
1509 1 14 THR HA 1 15 VAL QG . . 3.900 3.642 3.552 3.775 . 0 0 "[ . 1 . 2]" 2
1510 1 14 THR HB 1 15 VAL QG . . 5.440 5.277 5.217 5.370 . 0 0 "[ . 1 . 2]" 2
1511 1 14 THR HB 1 16 MET QG . . 4.590 4.010 3.759 4.323 . 0 0 "[ . 1 . 2]" 2
1512 1 14 THR MG 1 15 VAL QG . . 4.560 4.145 4.100 4.198 . 0 0 "[ . 1 . 2]" 2
1513 1 14 THR MG 1 16 MET QG . . 3.570 2.882 2.632 3.148 . 0 0 "[ . 1 . 2]" 2
1514 1 15 VAL H 1 15 VAL QG . . 2.760 2.029 1.878 2.245 . 0 0 "[ . 1 . 2]" 2
1515 1 15 VAL HA 1 15 VAL QG . . 2.590 2.119 2.027 2.164 . 0 0 "[ . 1 . 2]" 2
1516 1 15 VAL HA 1 16 MET QG . . 4.740 4.069 3.844 4.280 . 0 0 "[ . 1 . 2]" 2
1517 1 15 VAL QG 1 16 MET H . . 3.470 2.744 2.404 3.052 . 0 0 "[ . 1 . 2]" 2
1518 1 15 VAL QG 1 16 MET HB2 . . 4.440 4.380 4.241 4.494 0.054 5 0 "[ . 1 . 2]" 2
1519 1 15 VAL QG 1 17 PRO HA . . 4.800 4.355 4.212 4.479 . 0 0 "[ . 1 . 2]" 2
1520 1 15 VAL QG 1 19 SER H . . 5.150 5.001 4.811 5.143 . 0 0 "[ . 1 . 2]" 2
1521 1 15 VAL QG 1 19 SER QB . . 4.180 3.927 3.645 4.162 . 0 0 "[ . 1 . 2]" 2
1522 1 15 VAL QG 1 21 LYS H . . 4.830 4.692 4.560 4.824 . 0 0 "[ . 1 . 2]" 2
1523 1 15 VAL QG 1 21 LYS HA . . 3.710 3.369 3.180 3.514 . 0 0 "[ . 1 . 2]" 2
1524 1 15 VAL QG 1 21 LYS QB . . 2.790 1.843 1.710 1.972 . 0 0 "[ . 1 . 2]" 2
1525 1 15 VAL QG 1 21 LYS HG2 . . 3.920 3.389 2.987 3.615 . 0 0 "[ . 1 . 2]" 2
1526 1 15 VAL QG 1 21 LYS HG3 . . 3.750 3.620 3.502 3.747 . 0 0 "[ . 1 . 2]" 2
1527 1 15 VAL QG 1 21 LYS QD . . 3.110 1.828 1.688 1.917 . 0 0 "[ . 1 . 2]" 2
1528 1 15 VAL QG 1 21 LYS QE . . 3.990 3.565 3.221 3.768 . 0 0 "[ . 1 . 2]" 2
1529 1 15 VAL QG 1 22 LEU H . . 3.980 3.394 3.261 3.533 . 0 0 "[ . 1 . 2]" 2
1530 1 15 VAL QG 1 28 THR HA . . 5.440 4.381 4.216 4.650 . 0 0 "[ . 1 . 2]" 2
1531 1 15 VAL QG 1 28 THR HB . . 3.800 3.182 2.999 3.307 . 0 0 "[ . 1 . 2]" 2
1532 1 15 VAL QG 1 28 THR MG . . 2.730 1.961 1.835 2.141 . 0 0 "[ . 1 . 2]" 2
1533 1 15 VAL QG 1 29 TRP H . . 4.340 3.977 3.844 4.224 . 0 0 "[ . 1 . 2]" 2
1534 1 15 VAL QG 1 29 TRP HA . . 3.950 3.403 3.251 3.620 . 0 0 "[ . 1 . 2]" 2
1535 1 15 VAL QG 1 30 HIS H . . 3.710 3.428 3.258 3.593 . 0 0 "[ . 1 . 2]" 2
1536 1 15 VAL QG 1 30 HIS HA . . 3.350 2.810 2.602 2.978 . 0 0 "[ . 1 . 2]" 2
1537 1 15 VAL QG 1 30 HIS HD2 . . 3.240 2.664 2.423 3.089 . 0 0 "[ . 1 . 2]" 2
1538 1 15 VAL QG 1 30 HIS HE1 . . 3.830 2.681 2.365 2.899 . 0 0 "[ . 1 . 2]" 2
1539 1 15 VAL QG 1 31 GLU H . . 4.330 4.174 3.985 4.341 0.011 3 0 "[ . 1 . 2]" 2
1540 1 16 MET H 1 16 MET QG . . 3.160 2.645 2.405 2.932 . 0 0 "[ . 1 . 2]" 2
1541 1 16 MET HA 1 16 MET QG . . 3.360 2.547 2.219 2.961 . 0 0 "[ . 1 . 2]" 2
1542 1 16 MET HA 1 17 PRO QG . . 4.630 3.982 3.929 4.013 . 0 0 "[ . 1 . 2]" 2
1543 1 16 MET ME 1 16 MET QG . . 3.360 2.133 1.982 2.225 . 0 0 "[ . 1 . 2]" 2
1544 1 16 MET QG 1 17 PRO HD2 . . 4.110 3.614 3.145 3.834 . 0 0 "[ . 1 . 2]" 2
1545 1 16 MET QG 1 17 PRO HD3 . . 4.560 4.341 3.839 4.723 0.163 11 0 "[ . 1 . 2]" 2
1546 1 20 ARG H 1 20 ARG QG . . 3.890 3.065 2.175 4.002 0.112 8 0 "[ . 1 . 2]" 2
1547 1 20 ARG HA 1 20 ARG QG . . 3.120 2.321 2.139 2.816 . 0 0 "[ . 1 . 2]" 2
1548 1 20 ARG HA 1 20 ARG QD . . 3.730 3.009 2.030 3.658 . 0 0 "[ . 1 . 2]" 2
1549 1 20 ARG QB 1 20 ARG QD . . 2.920 2.268 2.023 2.555 . 0 0 "[ . 1 . 2]" 2
1550 1 20 ARG QG 1 21 LYS H . . 4.520 3.891 2.264 4.537 0.017 13 0 "[ . 1 . 2]" 2
1551 1 20 ARG QD 1 21 LYS H . . 5.200 4.530 2.643 5.109 . 0 0 "[ . 1 . 2]" 2
1552 1 24 TYR H 1 25 GLY QA . . 5.340 4.853 4.767 4.906 . 0 0 "[ . 1 . 2]" 2
1553 1 24 TYR QD 1 25 GLY QA . . 4.810 4.754 4.682 4.824 0.014 19 0 "[ . 1 . 2]" 2
1554 1 25 GLY QA 1 27 GLN H . . 3.690 3.620 3.499 3.800 0.110 13 0 "[ . 1 . 2]" 2
1555 1 26 GLY QA 1 27 GLN H . . 3.100 2.804 2.743 2.911 . 0 0 "[ . 1 . 2]" 2
1556 1 27 GLN H 1 27 GLN QG . . 3.340 3.000 2.711 3.359 0.019 16 0 "[ . 1 . 2]" 2
1557 1 27 GLN HA 1 27 GLN QG . . 3.040 2.539 2.260 2.851 . 0 0 "[ . 1 . 2]" 2
1558 1 27 GLN HA 1 27 GLN QE . . 4.990 3.617 1.880 4.665 . 0 0 "[ . 1 . 2]" 2
1559 1 27 GLN HB2 1 27 GLN QE . . 4.370 3.772 1.886 4.317 . 0 0 "[ . 1 . 2]" 2
1560 1 27 GLN HB3 1 27 GLN QE . . 4.420 3.166 2.092 3.875 . 0 0 "[ . 1 . 2]" 2
1561 1 27 GLN QG 1 28 THR H . . 3.940 3.610 3.118 3.907 . 0 0 "[ . 1 . 2]" 2
1562 1 27 GLN QG 1 29 TRP HE1 . . 5.340 4.821 4.413 5.322 . 0 0 "[ . 1 . 2]" 2
1563 1 27 GLN QG 1 29 TRP HH2 . . 4.250 3.546 3.124 4.213 . 0 0 "[ . 1 . 2]" 2
1564 1 35 LEU HB3 1 40 GLU QG . . 4.650 4.168 3.941 4.348 . 0 0 "[ . 1 . 2]" 2
1565 1 35 LEU MD1 1 40 GLU QG . . 3.510 3.340 3.033 3.541 0.031 10 0 "[ . 1 . 2]" 2
1566 1 37 SER H 1 37 SER QB . . 2.760 2.290 2.186 2.392 . 0 0 "[ . 1 . 2]" 2
1567 1 37 SER HA 1 40 GLU QG . . 5.100 4.118 4.053 4.182 . 0 0 "[ . 1 . 2]" 2
1568 1 37 SER QB 1 54 ALA HA . . 4.310 3.135 2.880 3.441 . 0 0 "[ . 1 . 2]" 2
1569 1 37 SER QB 1 54 ALA MB . . 3.060 2.386 2.179 2.538 . 0 0 "[ . 1 . 2]" 2
1570 1 37 SER QB 1 55 HIS H . . 3.410 2.632 2.311 3.043 . 0 0 "[ . 1 . 2]" 2
1571 1 37 SER QB 1 56 TYR QE . . 3.190 2.482 2.275 2.831 . 0 0 "[ . 1 . 2]" 2
1572 1 39 CYS HB2 1 41 GLN QE . . 4.770 3.544 2.918 3.933 . 0 0 "[ . 1 . 2]" 2
1573 1 40 GLU H 1 40 GLU QG . . 3.210 3.068 2.815 3.252 0.042 20 0 "[ . 1 . 2]" 2
1574 1 40 GLU HA 1 40 GLU QG . . 3.040 2.280 2.207 2.368 . 0 0 "[ . 1 . 2]" 2
1575 1 40 GLU QB 1 41 GLN QE . . 4.330 3.709 3.337 4.034 . 0 0 "[ . 1 . 2]" 2
1576 1 41 GLN H 1 41 GLN QE . . 4.770 3.836 3.492 4.299 . 0 0 "[ . 1 . 2]" 2
1577 1 41 GLN HA 1 41 GLN QE . . 4.110 2.569 2.196 3.218 . 0 0 "[ . 1 . 2]" 2
1578 1 41 GLN QE 1 41 GLN QG . . 3.020 2.125 2.067 2.192 . 0 0 "[ . 1 . 2]" 2
1579 1 43 LEU HA 1 46 ARG QG . . 3.630 2.070 1.770 2.696 . 0 0 "[ . 1 . 2]" 2
1580 1 43 LEU HA 1 46 ARG QD . . 3.920 3.236 2.932 3.814 . 0 0 "[ . 1 . 2]" 2
1581 1 43 LEU MD2 1 46 ARG QG . . 4.030 2.715 1.925 3.627 . 0 0 "[ . 1 . 2]" 2
1582 1 43 LEU MD2 1 46 ARG QD . . 3.990 2.566 1.896 3.828 . 0 0 "[ . 1 . 2]" 2
1583 1 45 SER QB 1 46 ARG H . . 4.080 3.258 2.591 4.058 . 0 0 "[ . 1 . 2]" 2
1584 1 46 ARG H 1 46 ARG QG . . 2.990 2.169 1.813 2.720 . 0 0 "[ . 1 . 2]" 2
1585 1 46 ARG H 1 46 ARG QD . . 4.540 4.139 3.741 4.522 . 0 0 "[ . 1 . 2]" 2
1586 1 46 ARG HA 1 46 ARG QG . . 3.380 2.989 2.534 3.342 . 0 0 "[ . 1 . 2]" 2
1587 1 46 ARG HA 1 46 ARG QD . . 4.510 4.235 3.708 4.541 0.031 6 0 "[ . 1 . 2]" 2
1588 1 46 ARG HA 1 47 SER QB . . 4.970 4.459 4.097 4.738 . 0 0 "[ . 1 . 2]" 2
1589 1 46 ARG QB 1 46 ARG QD . . 3.330 2.237 2.031 2.398 . 0 0 "[ . 1 . 2]" 2
1590 1 46 ARG QB 1 47 SER QB . . 5.030 4.235 3.977 4.636 . 0 0 "[ . 1 . 2]" 2
1591 1 46 ARG QG 1 47 SER H . . 4.270 4.042 3.708 4.280 0.010 8 0 "[ . 1 . 2]" 2
1592 1 46 ARG QD 1 47 SER H . . 4.990 4.694 4.177 4.998 0.008 7 0 "[ . 1 . 2]" 2
1593 1 47 SER H 1 47 SER QB . . 2.990 2.383 2.160 2.775 . 0 0 "[ . 1 . 2]" 2
1594 1 47 SER QB 1 48 PHE H . . 3.170 2.668 2.314 3.132 . 0 0 "[ . 1 . 2]" 2
1595 1 47 SER QB 1 48 PHE HA . . 4.710 3.909 3.763 4.119 . 0 0 "[ . 1 . 2]" 2
1596 1 47 SER QB 1 48 PHE QD . . 4.760 4.605 4.439 4.775 0.015 18 0 "[ . 1 . 2]" 2
1597 1 47 SER QB 1 58 VAL MG2 . . 3.100 2.423 2.046 2.740 . 0 0 "[ . 1 . 2]" 2
1598 1 48 PHE QE 1 50 PRO QB . . 3.890 2.692 2.582 2.874 . 0 0 "[ . 1 . 2]" 2
1599 1 50 PRO QB 1 51 ASP H . . 3.850 3.367 3.016 3.709 . 0 0 "[ . 1 . 2]" 2
1600 1 50 PRO QB 1 55 HIS HA . . 5.340 4.219 3.931 4.477 . 0 0 "[ . 1 . 2]" 2
1601 1 50 PRO QB 1 55 HIS HD2 . . 4.050 2.892 2.551 3.187 . 0 0 "[ . 1 . 2]" 2
1602 1 52 LYS HA 1 52 LYS QG . . 2.940 2.299 2.164 2.554 . 0 0 "[ . 1 . 2]" 2
1603 1 52 LYS HA 1 52 LYS QD . . 4.070 3.727 2.386 4.072 0.002 13 0 "[ . 1 . 2]" 2
1604 1 52 LYS QB 1 53 GLY QA . . 4.790 4.160 4.085 4.221 . 0 0 "[ . 1 . 2]" 2
1605 1 53 GLY QA 1 54 ALA H . . 3.090 2.842 2.808 2.872 . 0 0 "[ . 1 . 2]" 2
1606 1 53 GLY QA 1 54 ALA MB . . 5.340 4.047 3.889 4.175 . 0 0 "[ . 1 . 2]" 2
1607 1 56 TYR QE 1 64 LYS QE . . 4.170 3.164 2.184 4.007 . 0 0 "[ . 1 . 2]" 2
1608 1 60 CYS H 1 63 ASN QB . . 5.180 4.551 4.377 4.848 . 0 0 "[ . 1 . 2]" 2
1609 1 60 CYS HA 1 63 ASN QB . . 3.440 2.863 2.753 3.421 . 0 0 "[ . 1 . 2]" 2
1610 1 60 CYS HA 1 63 ASN QD . . 4.520 3.303 2.595 3.944 . 0 0 "[ . 1 . 2]" 2
1611 1 62 GLU H 1 63 ASN QB . . 4.610 4.415 4.295 4.561 . 0 0 "[ . 1 . 2]" 2
1612 1 63 ASN H 1 63 ASN QB . . 2.690 2.258 2.170 2.307 . 0 0 "[ . 1 . 2]" 2
1613 1 63 ASN H 1 63 ASN QD . . 4.830 3.977 2.281 4.502 . 0 0 "[ . 1 . 2]" 2
1614 1 63 ASN HA 1 63 ASN QD . . 4.320 3.930 2.984 4.132 . 0 0 "[ . 1 . 2]" 2
1615 1 63 ASN QB 1 64 LYS H . . 3.350 2.574 2.398 3.247 . 0 0 "[ . 1 . 2]" 2
1616 1 63 ASN QB 1 64 LYS HA . . 5.170 4.116 3.797 4.570 . 0 0 "[ . 1 . 2]" 2
1617 1 63 ASN QD 1 64 LYS H . . 4.540 4.022 3.094 4.531 . 0 0 "[ . 1 . 2]" 2
1618 1 64 LYS H 1 64 LYS QG . . 3.870 3.069 2.372 3.894 0.024 10 0 "[ . 1 . 2]" 2
1619 1 64 LYS HA 1 64 LYS QG . . 3.520 3.060 2.636 3.322 . 0 0 "[ . 1 . 2]" 2
1620 1 64 LYS HA 1 64 LYS QE . . 5.340 4.685 4.092 5.053 . 0 0 "[ . 1 . 2]" 2
1621 1 64 LYS HB2 1 64 LYS QE . . 4.660 3.128 1.980 4.094 . 0 0 "[ . 1 . 2]" 2
1622 1 64 LYS HB3 1 64 LYS QE . . 4.550 3.838 3.326 4.152 . 0 0 "[ . 1 . 2]" 2
1623 1 64 LYS QE 1 64 LYS QG . . 3.130 2.255 2.030 2.764 . 0 0 "[ . 1 . 2]" 2
1624 1 64 LYS QG 1 65 PHE H . . 3.870 2.683 2.228 3.279 . 0 0 "[ . 1 . 2]" 2
1625 1 64 LYS QG 1 65 PHE QD . . 4.780 2.179 1.856 2.872 . 0 0 "[ . 1 . 2]" 2
1626 1 64 LYS QE 1 65 PHE QD . . 4.470 3.835 3.206 4.480 0.010 9 0 "[ . 1 . 2]" 2
1627 1 64 LYS QE 1 65 PHE QE . . 4.480 2.947 2.389 3.654 . 0 0 "[ . 1 . 2]" 2
1628 1 64 LYS QE 1 65 PHE HZ . . 4.730 3.861 3.093 4.648 . 0 0 "[ . 1 . 2]" 2
1629 1 68 GLY QA 1 69 PRO QD . . 3.040 1.949 1.844 2.146 . 0 0 "[ . 1 . 2]" 2
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