NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506126 |
1wev   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wev
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 297
_Distance_constraint_stats_list.Viol_total 89.389
_Distance_constraint_stats_list.Viol_max 0.038
_Distance_constraint_stats_list.Viol_rms 0.0099
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.0150
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 19 CYS 0.672 0.030 10 0 "[ . 1 . 2]"
1 22 CYS 0.117 0.014 16 0 "[ . 1 . 2]"
1 36 CYS 0.977 0.028 4 0 "[ . 1 . 2]"
1 39 CYS 0.548 0.027 12 0 "[ . 1 . 2]"
1 44 HIS 0.199 0.018 16 0 "[ . 1 . 2]"
1 47 CYS 1.502 0.037 16 0 "[ . 1 . 2]"
1 66 CYS 0.881 0.038 20 0 "[ . 1 . 2]"
1 69 CYS 0.663 0.026 4 0 "[ . 1 . 2]"
2 1 ZN 1.579 0.037 16 0 "[ . 1 . 2]"
3 1 ZN 1.802 0.038 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 CYS SG 2 1 ZN ZN . 2.330 2.390 2.317 2.308 2.322 0.022 16 0 "[ . 1 . 2]" 1
2 1 22 CYS SG 2 1 ZN ZN . 2.330 2.390 2.340 2.318 2.385 0.012 16 0 "[ . 1 . 2]" 1
3 1 47 CYS SG 2 1 ZN ZN . 2.330 2.390 2.301 2.293 2.308 0.037 16 0 "[ . 1 . 2]" 1
4 1 44 HIS ND1 2 1 ZN ZN . 2.330 2.390 2.378 2.327 2.400 0.010 17 0 "[ . 1 . 2]" 1
5 1 19 CYS CB 2 1 ZN ZN . 3.250 3.510 3.480 3.434 3.504 . 0 0 "[ . 1 . 2]" 1
6 1 22 CYS CB 2 1 ZN ZN . 3.250 3.510 3.510 3.501 3.519 0.009 9 0 "[ . 1 . 2]" 1
7 1 44 HIS CG 2 1 ZN ZN . 3.250 3.510 3.245 3.232 3.264 0.018 16 0 "[ . 1 . 2]" 1
8 1 47 CYS CB 2 1 ZN ZN . 3.250 3.510 3.535 3.527 3.542 0.032 10 0 "[ . 1 . 2]" 1
9 1 19 CYS SG 1 22 CYS SG . 3.200 4.000 3.670 3.566 3.758 . 0 0 "[ . 1 . 2]" 1
10 1 19 CYS SG 1 44 HIS ND1 . 3.200 4.000 3.401 3.349 3.501 . 0 0 "[ . 1 . 2]" 1
11 1 19 CYS SG 1 47 CYS SG . 3.200 4.000 4.021 4.012 4.030 0.030 10 0 "[ . 1 . 2]" 1
12 1 22 CYS SG 1 44 HIS ND1 . 3.200 4.000 3.995 3.966 4.014 0.014 16 0 "[ . 1 . 2]" 1
13 1 22 CYS SG 1 47 CYS SG . 3.200 4.000 3.750 3.652 3.852 . 0 0 "[ . 1 . 2]" 1
14 1 44 HIS ND1 1 47 CYS SG . 3.200 4.000 3.941 3.814 4.002 0.002 16 0 "[ . 1 . 2]" 1
15 1 36 CYS SG 3 1 ZN ZN . 2.330 2.390 2.311 2.302 2.320 0.028 4 0 "[ . 1 . 2]" 1
16 1 39 CYS SG 3 1 ZN ZN . 2.330 2.390 2.332 2.303 2.389 0.027 4 0 "[ . 1 . 2]" 1
17 1 66 CYS SG 3 1 ZN ZN . 2.330 2.390 2.309 2.292 2.321 0.038 20 0 "[ . 1 . 2]" 1
18 1 69 CYS SG 3 1 ZN ZN . 2.330 2.390 2.361 2.312 2.410 0.020 5 0 "[ . 1 . 2]" 1
19 1 36 CYS CB 3 1 ZN ZN . 3.250 3.510 3.386 3.283 3.531 0.021 16 0 "[ . 1 . 2]" 1
20 1 39 CYS CB 3 1 ZN ZN . 3.250 3.510 3.316 3.244 3.459 0.006 1 0 "[ . 1 . 2]" 1
21 1 66 CYS CB 3 1 ZN ZN . 3.250 3.510 3.518 3.451 3.543 0.033 20 0 "[ . 1 . 2]" 1
22 1 69 CYS CB 3 1 ZN ZN . 3.250 3.510 3.307 3.224 3.521 0.026 4 0 "[ . 1 . 2]" 1
23 1 36 CYS SG 1 39 CYS SG . 3.200 4.000 3.758 3.265 4.027 0.027 12 0 "[ . 1 . 2]" 1
24 1 36 CYS SG 1 66 CYS SG . 3.200 4.000 4.012 4.000 4.020 0.020 11 0 "[ . 1 . 2]" 1
25 1 36 CYS SG 1 69 CYS SG . 3.200 4.000 3.841 3.583 4.022 0.022 16 0 "[ . 1 . 2]" 1
26 1 39 CYS SG 1 66 CYS SG . 3.200 4.000 3.348 3.238 3.514 . 0 0 "[ . 1 . 2]" 1
27 1 39 CYS SG 1 69 CYS SG . 3.200 4.000 3.913 3.184 4.013 0.016 16 0 "[ . 1 . 2]" 1
28 1 66 CYS SG 1 69 CYS SG . 3.200 4.000 3.753 3.646 3.916 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1450
_Distance_constraint_stats_list.Viol_count 1030
_Distance_constraint_stats_list.Viol_total 576.844
_Distance_constraint_stats_list.Viol_max 0.259
_Distance_constraint_stats_list.Viol_rms 0.0087
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0280
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.042 0.042 18 0 "[ . 1 . 2]"
1 11 PHE 1.396 0.156 20 0 "[ . 1 . 2]"
1 12 ALA 0.327 0.050 12 0 "[ . 1 . 2]"
1 13 MET 0.536 0.111 18 0 "[ . 1 . 2]"
1 14 GLU 0.332 0.111 18 0 "[ . 1 . 2]"
1 15 MET 0.054 0.019 1 0 "[ . 1 . 2]"
1 16 GLY 0.138 0.041 20 0 "[ . 1 . 2]"
1 17 LEU 0.550 0.087 3 0 "[ . 1 . 2]"
1 18 ALA 0.245 0.087 3 0 "[ . 1 . 2]"
1 19 CYS 2.064 0.096 17 0 "[ . 1 . 2]"
1 20 VAL 2.360 0.065 3 0 "[ . 1 . 2]"
1 21 VAL 0.172 0.032 5 0 "[ . 1 . 2]"
1 22 CYS 1.760 0.096 17 0 "[ . 1 . 2]"
1 23 ARG 0.310 0.117 4 0 "[ . 1 . 2]"
1 24 GLN 0.445 0.044 10 0 "[ . 1 . 2]"
1 25 MET 0.654 0.049 16 0 "[ . 1 . 2]"
1 26 THR 0.587 0.087 9 0 "[ . 1 . 2]"
1 27 VAL 0.746 0.087 9 0 "[ . 1 . 2]"
1 28 ALA 0.226 0.122 9 0 "[ . 1 . 2]"
1 29 SER 0.036 0.018 17 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASN 0.108 0.021 11 0 "[ . 1 . 2]"
1 32 GLN 0.735 0.177 9 0 "[ . 1 . 2]"
1 33 LEU 2.265 0.122 9 0 "[ . 1 . 2]"
1 34 VAL 0.790 0.058 10 0 "[ . 1 . 2]"
1 35 GLU 0.156 0.020 1 0 "[ . 1 . 2]"
1 36 CYS 1.422 0.125 15 0 "[ . 1 . 2]"
1 37 GLN 0.354 0.048 2 0 "[ . 1 . 2]"
1 38 GLU 0.468 0.058 16 0 "[ . 1 . 2]"
1 39 CYS 0.088 0.035 9 0 "[ . 1 . 2]"
1 40 HIS 0.166 0.035 12 0 "[ . 1 . 2]"
1 41 ASN 0.617 0.139 16 0 "[ . 1 . 2]"
1 42 LEU 0.673 0.119 16 0 "[ . 1 . 2]"
1 43 TYR 2.022 0.139 16 0 "[ . 1 . 2]"
1 44 HIS 1.777 0.075 3 0 "[ . 1 . 2]"
1 45 GLN 1.233 0.106 9 0 "[ . 1 . 2]"
1 46 ASP 0.030 0.008 4 0 "[ . 1 . 2]"
1 47 CYS 0.373 0.041 5 0 "[ . 1 . 2]"
1 48 HIS 1.665 0.098 7 0 "[ . 1 . 2]"
1 49 LYS 0.995 0.247 7 0 "[ . 1 . 2]"
1 50 PRO 1.170 0.066 7 0 "[ . 1 . 2]"
1 51 GLN 0.823 0.054 7 0 "[ . 1 . 2]"
1 52 VAL 1.128 0.098 7 0 "[ . 1 . 2]"
1 53 THR 0.036 0.011 12 0 "[ . 1 . 2]"
1 54 ASP 0.114 0.029 9 0 "[ . 1 . 2]"
1 55 LYS 2.918 0.259 18 0 "[ . 1 . 2]"
1 56 GLU 1.342 0.086 19 0 "[ . 1 . 2]"
1 57 VAL 0.866 0.259 16 0 "[ . 1 . 2]"
1 58 ASN 0.113 0.021 8 0 "[ . 1 . 2]"
1 59 ASP 0.062 0.032 11 0 "[ . 1 . 2]"
1 60 PRO 0.466 0.107 14 0 "[ . 1 . 2]"
1 61 ARG 0.431 0.107 14 0 "[ . 1 . 2]"
1 62 LEU 1.013 0.205 13 0 "[ . 1 . 2]"
1 63 VAL 0.428 0.161 11 0 "[ . 1 . 2]"
1 64 TRP 1.349 0.080 11 0 "[ . 1 . 2]"
1 65 TYR 0.496 0.046 16 0 "[ . 1 . 2]"
1 66 CYS 3.207 0.220 15 0 "[ . 1 . 2]"
1 67 ALA 0.136 0.064 16 0 "[ . 1 . 2]"
1 68 ARG 0.067 0.036 9 0 "[ . 1 . 2]"
1 69 CYS 2.355 0.220 15 0 "[ . 1 . 2]"
1 70 THR 0.383 0.104 12 0 "[ . 1 . 2]"
1 71 ARG 0.515 0.122 12 0 "[ . 1 . 2]"
1 72 GLN 0.508 0.122 12 0 "[ . 1 . 2]"
1 73 MET 0.242 0.070 12 0 "[ . 1 . 2]"
1 74 LYS 0.326 0.155 3 0 "[ . 1 . 2]"
1 75 ARG 0.060 0.024 17 0 "[ . 1 . 2]"
1 76 MET 0.149 0.048 2 0 "[ . 1 . 2]"
1 77 ALA 0.061 0.023 11 0 "[ . 1 . 2]"
1 78 GLN 0.106 0.048 19 0 "[ . 1 . 2]"
1 79 LYS 0.009 0.009 17 0 "[ . 1 . 2]"
1 80 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 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 52 VAL MG2 1 64 TRP HE1 . . 3.220 2.064 1.871 2.390 . 0 0 "[ . 1 . 2]" 2
2 1 52 VAL MG1 1 64 TRP HE1 . . 3.490 2.641 2.113 3.049 . 0 0 "[ . 1 . 2]" 2
3 1 63 VAL HA 1 64 TRP H . . 2.910 2.170 2.143 2.228 . 0 0 "[ . 1 . 2]" 2
4 1 64 TRP H 1 64 TRP HB3 . . 3.380 2.674 2.614 2.721 . 0 0 "[ . 1 . 2]" 2
5 1 37 GLN HG2 1 64 TRP H . . 3.560 2.613 2.240 2.968 . 0 0 "[ . 1 . 2]" 2
6 1 64 TRP H 1 64 TRP HB2 . . 3.780 2.608 2.485 2.742 . 0 0 "[ . 1 . 2]" 2
7 1 36 CYS HA 1 37 GLN H . . 3.440 2.394 2.348 2.419 . 0 0 "[ . 1 . 2]" 2
8 1 37 GLN H 1 37 GLN HG2 . . 3.680 2.618 2.347 2.815 . 0 0 "[ . 1 . 2]" 2
9 1 37 GLN H 1 37 GLN HB3 . . 3.860 3.675 3.645 3.702 . 0 0 "[ . 1 . 2]" 2
10 1 37 GLN H 1 37 GLN HB2 . . 3.660 2.558 2.438 2.824 . 0 0 "[ . 1 . 2]" 2
11 1 62 LEU HA 1 63 VAL H . . 2.750 2.195 2.142 2.277 . 0 0 "[ . 1 . 2]" 2
12 1 63 VAL H 1 63 VAL HB . . 3.340 2.730 2.467 3.501 0.161 11 0 "[ . 1 . 2]" 2
13 1 62 LEU MD1 1 63 VAL H . . 4.590 2.469 1.886 3.621 . 0 0 "[ . 1 . 2]" 2
14 1 63 VAL H 1 63 VAL MG1 . . 4.030 2.917 1.848 3.825 . 0 0 "[ . 1 . 2]" 2
15 1 63 VAL H 1 63 VAL MG2 . . 4.030 3.101 1.893 3.845 . 0 0 "[ . 1 . 2]" 2
16 1 20 VAL H 1 20 VAL MG1 . . 3.070 1.825 1.805 1.838 . 0 0 "[ . 1 . 2]" 2
17 1 19 CYS HA 1 20 VAL H . . 2.960 2.612 2.572 2.659 . 0 0 "[ . 1 . 2]" 2
18 1 20 VAL H 1 20 VAL HB . . 3.580 3.201 3.168 3.245 . 0 0 "[ . 1 . 2]" 2
19 1 51 GLN HA 1 52 VAL H . . 3.160 2.178 2.170 2.195 . 0 0 "[ . 1 . 2]" 2
20 1 45 GLN HA 1 52 VAL H . . 4.000 3.436 3.260 3.625 . 0 0 "[ . 1 . 2]" 2
21 1 51 GLN QB 1 52 VAL H . . 3.700 3.668 3.646 3.712 0.012 7 0 "[ . 1 . 2]" 2
22 1 52 VAL H 1 52 VAL HB . . 3.880 2.555 2.458 2.635 . 0 0 "[ . 1 . 2]" 2
23 1 34 VAL HA 1 35 GLU H . . 2.980 2.322 2.268 2.375 . 0 0 "[ . 1 . 2]" 2
24 1 35 GLU H 1 35 GLU HB3 . . 3.230 2.652 2.562 2.822 . 0 0 "[ . 1 . 2]" 2
25 1 35 GLU H 1 35 GLU HB2 . . 3.380 3.163 2.950 3.285 . 0 0 "[ . 1 . 2]" 2
26 1 34 VAL MG1 1 35 GLU H . . 4.460 1.925 1.861 2.009 . 0 0 "[ . 1 . 2]" 2
27 1 69 CYS H 1 70 THR H . . 2.960 2.437 2.314 2.693 . 0 0 "[ . 1 . 2]" 2
28 1 68 ARG H 1 69 CYS H . . 3.480 3.086 2.996 3.291 . 0 0 "[ . 1 . 2]" 2
29 1 69 CYS H 1 69 CYS HB2 . . 3.630 3.036 2.381 3.646 0.016 13 0 "[ . 1 . 2]" 2
30 1 69 CYS H 1 69 CYS HB3 . . 3.630 3.216 2.788 3.639 0.009 10 0 "[ . 1 . 2]" 2
31 1 68 ARG HB2 1 69 CYS H . . 3.520 2.702 2.459 2.871 . 0 0 "[ . 1 . 2]" 2
32 1 68 ARG HB3 1 69 CYS H . . 3.520 3.130 2.728 3.344 . 0 0 "[ . 1 . 2]" 2
33 1 20 VAL H 1 21 VAL H . . 2.580 2.055 2.002 2.104 . 0 0 "[ . 1 . 2]" 2
34 1 21 VAL H 1 21 VAL HB . . 3.430 2.517 2.492 2.557 . 0 0 "[ . 1 . 2]" 2
35 1 21 VAL H 1 21 VAL MG1 . . 3.790 3.764 3.761 3.769 . 0 0 "[ . 1 . 2]" 2
36 1 20 VAL MG2 1 21 VAL H . . 3.600 3.550 3.487 3.589 . 0 0 "[ . 1 . 2]" 2
37 1 33 LEU HA 1 34 VAL H . . 3.110 2.351 2.171 2.476 . 0 0 "[ . 1 . 2]" 2
38 1 34 VAL H 1 34 VAL MG1 . . 4.090 3.950 3.896 4.004 . 0 0 "[ . 1 . 2]" 2
39 1 33 LEU MD2 1 34 VAL H . . 3.580 2.682 2.447 3.034 . 0 0 "[ . 1 . 2]" 2
40 1 34 VAL H 1 34 VAL HB . . 3.590 2.884 2.764 3.018 . 0 0 "[ . 1 . 2]" 2
41 1 27 VAL HA 1 28 ALA H . . 2.940 2.573 2.425 2.662 . 0 0 "[ . 1 . 2]" 2
42 1 27 VAL HB 1 28 ALA H . . 3.120 2.026 1.889 2.324 . 0 0 "[ . 1 . 2]" 2
43 1 28 ALA H 1 28 ALA MB . . 3.190 2.772 2.613 2.884 . 0 0 "[ . 1 . 2]" 2
44 1 27 VAL MG1 1 28 ALA H . . 3.600 3.422 3.321 3.541 . 0 0 "[ . 1 . 2]" 2
45 1 27 VAL MG2 1 28 ALA H . . 3.570 3.241 2.928 3.502 . 0 0 "[ . 1 . 2]" 2
46 1 77 ALA H 1 78 GLN H . . 3.400 2.998 2.522 3.404 0.004 6 0 "[ . 1 . 2]" 2
47 1 38 GLU H 1 38 GLU HB2 . . 3.680 2.355 2.278 2.495 . 0 0 "[ . 1 . 2]" 2
48 1 38 GLU H 1 38 GLU HB3 . . 3.650 2.820 2.703 2.882 . 0 0 "[ . 1 . 2]" 2
49 1 51 GLN H 1 51 GLN QB . . 3.040 2.243 2.223 2.263 . 0 0 "[ . 1 . 2]" 2
50 1 65 TYR HA 1 66 CYS H . . 3.260 2.202 2.138 2.321 . 0 0 "[ . 1 . 2]" 2
51 1 66 CYS H 1 66 CYS HB3 . . 3.390 2.624 2.385 2.866 . 0 0 "[ . 1 . 2]" 2
52 1 50 PRO HA 1 51 GLN H . . 3.160 2.180 2.171 2.195 . 0 0 "[ . 1 . 2]" 2
53 1 65 TYR H 1 65 TYR HB3 . . 3.840 3.745 3.678 3.817 . 0 0 "[ . 1 . 2]" 2
54 1 64 TRP HD1 1 65 TYR H . . 4.130 3.957 3.704 4.139 0.009 10 0 "[ . 1 . 2]" 2
55 1 64 TRP HA 1 65 TYR H . . 2.890 2.209 2.157 2.299 . 0 0 "[ . 1 . 2]" 2
56 1 58 ASN HB3 1 59 ASP H . . 4.290 3.201 2.890 3.794 . 0 0 "[ . 1 . 2]" 2
57 1 44 HIS H 1 44 HIS HB2 . . 3.770 2.157 2.138 2.188 . 0 0 "[ . 1 . 2]" 2
58 1 44 HIS H 1 47 CYS HB2 . . 3.420 2.626 2.522 2.777 . 0 0 "[ . 1 . 2]" 2
59 1 49 LYS H 1 49 LYS HG3 . . 4.220 3.642 3.045 4.044 . 0 0 "[ . 1 . 2]" 2
60 1 48 HIS HA 1 49 LYS H . . 2.820 2.347 2.308 2.437 . 0 0 "[ . 1 . 2]" 2
61 1 49 LYS H 1 49 LYS QB . . 3.080 2.122 2.109 2.138 . 0 0 "[ . 1 . 2]" 2
62 1 52 VAL HA 1 53 THR H . . 3.020 2.206 2.143 2.333 . 0 0 "[ . 1 . 2]" 2
63 1 52 VAL MG1 1 53 THR H . . 3.520 2.239 1.863 2.685 . 0 0 "[ . 1 . 2]" 2
64 1 13 MET QB 1 14 GLU H . . 3.180 2.598 2.254 3.291 0.111 18 0 "[ . 1 . 2]" 2
65 1 14 GLU H 1 14 GLU QB . . 2.910 2.351 2.161 2.649 . 0 0 "[ . 1 . 2]" 2
66 1 61 ARG H 1 62 LEU H . . 2.950 2.832 2.324 2.969 0.019 13 0 "[ . 1 . 2]" 2
67 1 61 ARG HA 1 62 LEU H . . 3.250 2.937 2.824 3.201 . 0 0 "[ . 1 . 2]" 2
68 1 62 LEU H 1 62 LEU HB2 . . 3.290 3.155 3.046 3.299 0.009 11 0 "[ . 1 . 2]" 2
69 1 62 LEU H 1 62 LEU HB3 . . 3.290 2.334 2.245 2.431 . 0 0 "[ . 1 . 2]" 2
70 1 62 LEU H 1 62 LEU HG . . 4.270 4.212 4.139 4.377 0.107 13 0 "[ . 1 . 2]" 2
71 1 44 HIS HA 1 45 GLN H . . 3.480 2.149 2.144 2.157 . 0 0 "[ . 1 . 2]" 2
72 1 45 GLN H 1 45 GLN HB3 . . 3.650 3.608 3.574 3.622 . 0 0 "[ . 1 . 2]" 2
73 1 45 GLN H 1 45 GLN HG3 . . 3.340 2.458 2.169 2.773 . 0 0 "[ . 1 . 2]" 2
74 1 53 THR HB 1 54 ASP H . . 3.850 2.179 1.923 2.505 . 0 0 "[ . 1 . 2]" 2
75 1 16 GLY HA2 1 17 LEU H . . 3.110 2.651 2.480 2.878 . 0 0 "[ . 1 . 2]" 2
76 1 17 LEU H 1 17 LEU HG . . 2.850 2.266 2.035 2.504 . 0 0 "[ . 1 . 2]" 2
77 1 10 ASP H 1 10 ASP QB . . 3.360 2.627 2.196 3.032 . 0 0 "[ . 1 . 2]" 2
78 1 16 GLY H 1 17 LEU H . . 3.520 2.707 2.519 2.937 . 0 0 "[ . 1 . 2]" 2
79 1 17 LEU H 1 17 LEU MD2 . . 4.100 2.532 1.837 3.560 . 0 0 "[ . 1 . 2]" 2
80 1 18 ALA HA 1 19 CYS H . . 3.180 2.235 2.199 2.284 . 0 0 "[ . 1 . 2]" 2
81 1 19 CYS H 1 19 CYS HB2 . . 3.540 3.529 3.518 3.544 0.004 16 0 "[ . 1 . 2]" 2
82 1 19 CYS H 1 19 CYS HB3 . . 3.540 2.244 2.222 2.277 . 0 0 "[ . 1 . 2]" 2
83 1 12 ALA HA 1 15 MET H . . 4.010 3.625 3.249 4.020 0.010 20 0 "[ . 1 . 2]" 2
84 1 15 MET H 1 15 MET QG . . 3.400 2.555 2.013 3.200 . 0 0 "[ . 1 . 2]" 2
85 1 14 GLU QB 1 15 MET H . . 2.900 2.152 1.903 2.625 . 0 0 "[ . 1 . 2]" 2
86 1 15 MET H 1 15 MET QB . . 3.190 2.361 2.182 2.563 . 0 0 "[ . 1 . 2]" 2
87 1 68 ARG H 1 68 ARG HG2 . . 3.700 2.729 2.522 3.414 . 0 0 "[ . 1 . 2]" 2
88 1 67 ALA MB 1 68 ARG H . . 3.440 2.318 2.126 2.423 . 0 0 "[ . 1 . 2]" 2
89 1 9 ASP HA 1 10 ASP H . . 3.170 2.312 2.147 2.871 . 0 0 "[ . 1 . 2]" 2
90 1 10 ASP HA 1 11 PHE H . . 3.460 2.322 2.138 3.502 0.042 18 0 "[ . 1 . 2]" 2
91 1 11 PHE H 1 11 PHE HB3 . . 3.410 3.041 2.189 3.566 0.156 20 0 "[ . 1 . 2]" 2
92 1 11 PHE H 1 11 PHE HB2 . . 3.410 3.140 2.900 3.373 . 0 0 "[ . 1 . 2]" 2
93 1 70 THR HB 1 71 ARG H . . 3.360 2.501 2.294 2.754 . 0 0 "[ . 1 . 2]" 2
94 1 71 ARG H 1 71 ARG QB . . 2.920 2.459 2.319 2.614 . 0 0 "[ . 1 . 2]" 2
95 1 71 ARG H 1 71 ARG HG2 . . 3.810 2.605 2.121 3.437 . 0 0 "[ . 1 . 2]" 2
96 1 71 ARG H 1 71 ARG HG3 . . 3.810 2.976 1.865 3.796 . 0 0 "[ . 1 . 2]" 2
97 1 70 THR MG 1 71 ARG H . . 3.920 3.552 3.222 3.777 . 0 0 "[ . 1 . 2]" 2
98 1 70 THR H 1 71 ARG H . . 3.560 2.963 2.875 3.117 . 0 0 "[ . 1 . 2]" 2
99 1 30 GLY H 1 31 ASN H . . 3.320 2.583 2.130 3.207 . 0 0 "[ . 1 . 2]" 2
100 1 30 GLY QA 1 31 ASN H . . 3.230 2.714 2.547 2.886 . 0 0 "[ . 1 . 2]" 2
101 1 31 ASN H 1 31 ASN HB3 . . 3.780 3.324 2.548 3.711 . 0 0 "[ . 1 . 2]" 2
102 1 32 GLN H 1 32 GLN HB3 . . 3.790 3.658 3.514 3.723 . 0 0 "[ . 1 . 2]" 2
103 1 31 ASN HA 1 32 GLN H . . 3.360 2.391 2.180 2.774 . 0 0 "[ . 1 . 2]" 2
104 1 32 GLN H 1 45 GLN HG3 . . 3.230 3.111 2.852 3.261 0.031 12 0 "[ . 1 . 2]" 2
105 1 32 GLN H 1 32 GLN QG . . 3.180 2.680 2.288 3.357 0.177 9 0 "[ . 1 . 2]" 2
106 1 31 ASN H 1 31 ASN HB2 . . 3.780 2.427 2.226 3.117 . 0 0 "[ . 1 . 2]" 2
107 1 28 ALA MB 1 31 ASN H . . 4.280 2.789 1.962 3.653 . 0 0 "[ . 1 . 2]" 2
108 1 26 THR HA 1 27 VAL H . . 2.630 2.156 2.141 2.256 . 0 0 "[ . 1 . 2]" 2
109 1 27 VAL H 1 27 VAL HB . . 3.910 3.832 3.700 3.930 0.020 19 0 "[ . 1 . 2]" 2
110 1 26 THR MG 1 27 VAL H . . 3.600 2.743 2.429 3.615 0.015 8 0 "[ . 1 . 2]" 2
111 1 27 VAL H 1 27 VAL MG1 . . 3.230 3.169 2.662 3.263 0.033 8 0 "[ . 1 . 2]" 2
112 1 27 VAL H 1 27 VAL MG2 . . 3.080 2.051 1.833 2.251 . 0 0 "[ . 1 . 2]" 2
113 1 41 ASN HA 1 42 LEU H . . 3.060 2.294 2.241 2.660 . 0 0 "[ . 1 . 2]" 2
114 1 42 LEU H 1 42 LEU HB2 . . 3.300 2.356 2.303 2.490 . 0 0 "[ . 1 . 2]" 2
115 1 20 VAL MG1 1 42 LEU H . . 3.280 3.144 2.453 3.241 . 0 0 "[ . 1 . 2]" 2
116 1 42 LEU H 1 42 LEU MD2 . . 3.730 3.619 3.559 3.849 0.119 16 0 "[ . 1 . 2]" 2
117 1 73 MET H 1 74 LYS H . . 3.530 2.810 2.382 2.974 . 0 0 "[ . 1 . 2]" 2
118 1 73 MET HA 1 74 LYS H . . 3.560 3.518 3.467 3.535 . 0 0 "[ . 1 . 2]" 2
119 1 73 MET QB 1 74 LYS H . . 2.940 2.655 2.562 2.872 . 0 0 "[ . 1 . 2]" 2
120 1 74 LYS H 1 74 LYS HG2 . . 4.070 3.084 2.280 4.071 0.001 8 0 "[ . 1 . 2]" 2
121 1 74 LYS H 1 74 LYS HG3 . . 4.070 3.292 2.577 3.773 . 0 0 "[ . 1 . 2]" 2
122 1 74 LYS H 1 74 LYS QB . . 2.850 2.292 2.160 2.445 . 0 0 "[ . 1 . 2]" 2
123 1 75 ARG H 1 75 ARG QB . . 3.280 2.724 2.480 3.107 . 0 0 "[ . 1 . 2]" 2
124 1 75 ARG H 1 76 MET H . . 3.670 2.479 1.903 3.257 . 0 0 "[ . 1 . 2]" 2
125 1 75 ARG H 1 75 ARG HG2 . . 3.300 2.270 1.902 2.931 . 0 0 "[ . 1 . 2]" 2
126 1 75 ARG H 1 75 ARG HG3 . . 3.300 2.739 2.176 3.256 . 0 0 "[ . 1 . 2]" 2
127 1 17 LEU H 1 18 ALA H . . 3.150 2.399 2.238 2.674 . 0 0 "[ . 1 . 2]" 2
128 1 17 LEU HA 1 18 ALA H . . 3.290 3.028 2.981 3.123 . 0 0 "[ . 1 . 2]" 2
129 1 17 LEU HG 1 18 ALA H . . 3.740 3.706 3.593 3.760 0.020 20 0 "[ . 1 . 2]" 2
130 1 18 ALA H 1 18 ALA MB . . 2.940 2.313 2.126 2.523 . 0 0 "[ . 1 . 2]" 2
131 1 17 LEU MD2 1 18 ALA H . . 5.020 4.449 4.019 5.044 0.024 1 0 "[ . 1 . 2]" 2
132 1 18 ALA H 1 42 LEU MD1 . . 3.510 2.513 2.087 2.923 . 0 0 "[ . 1 . 2]" 2
133 1 24 GLN QB 1 25 MET H . . 3.480 2.205 1.977 2.464 . 0 0 "[ . 1 . 2]" 2
134 1 25 MET H 1 25 MET HB3 . . 3.850 3.762 3.724 3.807 . 0 0 "[ . 1 . 2]" 2
135 1 73 MET H 1 73 MET HG3 . . 3.240 2.209 2.109 2.485 . 0 0 "[ . 1 . 2]" 2
136 1 72 GLN QB 1 73 MET H . . 3.360 2.187 2.039 2.675 . 0 0 "[ . 1 . 2]" 2
137 1 73 MET H 1 73 MET QB . . 3.030 2.510 2.458 2.601 . 0 0 "[ . 1 . 2]" 2
138 1 75 ARG QB 1 76 MET H . . 3.530 3.119 2.107 3.532 0.002 12 0 "[ . 1 . 2]" 2
139 1 76 MET H 1 77 ALA H . . 2.950 2.842 2.615 2.960 0.010 2 0 "[ . 1 . 2]" 2
140 1 13 MET H 1 13 MET QG . . 4.100 3.167 2.214 4.123 0.023 15 0 "[ . 1 . 2]" 2
141 1 13 MET H 1 13 MET QB . . 2.980 2.305 2.112 2.486 . 0 0 "[ . 1 . 2]" 2
142 1 12 ALA MB 1 13 MET H . . 3.570 2.762 2.302 3.617 0.047 15 0 "[ . 1 . 2]" 2
143 1 32 GLN HA 1 33 LEU H . . 3.140 2.644 2.581 2.661 . 0 0 "[ . 1 . 2]" 2
144 1 78 GLN H 1 78 GLN QG . . 3.550 2.509 1.926 3.551 0.001 7 0 "[ . 1 . 2]" 2
145 1 32 GLN HB2 1 33 LEU H . . 3.500 3.178 3.041 3.468 . 0 0 "[ . 1 . 2]" 2
146 1 32 GLN HB3 1 33 LEU H . . 3.500 1.978 1.916 2.148 . 0 0 "[ . 1 . 2]" 2
147 1 33 LEU H 1 33 LEU HB2 . . 3.320 2.273 2.233 2.330 . 0 0 "[ . 1 . 2]" 2
148 1 33 LEU H 1 33 LEU HG . . 3.620 3.396 3.292 3.510 . 0 0 "[ . 1 . 2]" 2
149 1 27 VAL MG1 1 33 LEU H . . 3.240 2.740 2.468 2.952 . 0 0 "[ . 1 . 2]" 2
150 1 33 LEU H 1 33 LEU HB3 . . 3.660 3.519 3.489 3.548 . 0 0 "[ . 1 . 2]" 2
151 1 33 LEU H 1 33 LEU MD1 . . 3.950 3.772 3.620 3.939 . 0 0 "[ . 1 . 2]" 2
152 1 72 GLN H 1 73 MET H . . 3.450 2.794 2.574 2.941 . 0 0 "[ . 1 . 2]" 2
153 1 71 ARG H 1 72 GLN H . . 2.670 2.635 2.427 2.792 0.122 12 0 "[ . 1 . 2]" 2
154 1 69 CYS HA 1 72 GLN H . . 3.850 3.211 2.979 3.342 . 0 0 "[ . 1 . 2]" 2
155 1 72 GLN H 1 72 GLN QG . . 3.450 2.363 1.948 2.629 . 0 0 "[ . 1 . 2]" 2
156 1 72 GLN H 1 72 GLN QB . . 2.930 2.383 2.267 2.572 . 0 0 "[ . 1 . 2]" 2
157 1 71 ARG QB 1 72 GLN H . . 3.570 3.393 2.610 3.550 . 0 0 "[ . 1 . 2]" 2
158 1 47 CYS H 1 48 HIS H . . 3.140 2.991 2.955 3.015 . 0 0 "[ . 1 . 2]" 2
159 1 48 HIS H 1 48 HIS QB . . 3.010 2.152 2.142 2.165 . 0 0 "[ . 1 . 2]" 2
160 1 36 CYS HB3 1 41 ASN H . . 3.650 1.966 1.882 2.257 . 0 0 "[ . 1 . 2]" 2
161 1 39 CYS HB2 1 41 ASN H . . 4.620 3.199 2.486 3.891 . 0 0 "[ . 1 . 2]" 2
162 1 41 ASN H 1 41 ASN HB3 . . 3.810 3.622 3.156 3.677 . 0 0 "[ . 1 . 2]" 2
163 1 38 GLU H 1 39 CYS H . . 3.380 2.736 2.620 2.896 . 0 0 "[ . 1 . 2]" 2
164 1 39 CYS H 1 39 CYS HB3 . . 4.010 3.133 2.546 3.619 . 0 0 "[ . 1 . 2]" 2
165 1 38 GLU HB2 1 39 CYS H . . 3.640 3.298 3.233 3.422 . 0 0 "[ . 1 . 2]" 2
166 1 38 GLU HB3 1 39 CYS H . . 3.440 1.998 1.884 2.189 . 0 0 "[ . 1 . 2]" 2
167 1 77 ALA HA 1 78 GLN H . . 3.340 2.761 2.403 3.343 0.003 11 0 "[ . 1 . 2]" 2
168 1 78 GLN H 1 78 GLN HB2 . . 3.900 3.279 2.331 3.907 0.007 1 0 "[ . 1 . 2]" 2
169 1 78 GLN H 1 78 GLN HB3 . . 3.900 3.155 2.497 3.948 0.048 19 0 "[ . 1 . 2]" 2
170 1 55 LYS H 1 55 LYS QG . . 3.710 3.193 1.884 3.794 0.084 9 0 "[ . 1 . 2]" 2
171 1 77 ALA MB 1 78 GLN H . . 3.930 3.669 3.214 3.717 . 0 0 "[ . 1 . 2]" 2
172 1 54 ASP H 1 55 LYS H . . 3.500 2.601 2.216 2.874 . 0 0 "[ . 1 . 2]" 2
173 1 55 LYS H 1 56 GLU H . . 3.460 2.847 2.460 3.056 . 0 0 "[ . 1 . 2]" 2
174 1 53 THR HB 1 55 LYS H . . 3.530 3.036 2.570 3.362 . 0 0 "[ . 1 . 2]" 2
175 1 54 ASP QB 1 55 LYS H . . 3.240 2.635 2.177 3.155 . 0 0 "[ . 1 . 2]" 2
176 1 55 LYS H 1 55 LYS HB2 . . 3.290 2.578 2.153 3.516 0.226 14 0 "[ . 1 . 2]" 2
177 1 55 LYS H 1 55 LYS HB3 . . 3.290 2.987 2.164 3.549 0.259 18 0 "[ . 1 . 2]" 2
178 1 60 PRO HD2 1 61 ARG H . . 3.750 2.665 2.647 2.806 . 0 0 "[ . 1 . 2]" 2
179 1 60 PRO HG2 1 61 ARG H . . 3.210 2.325 2.072 2.974 . 0 0 "[ . 1 . 2]" 2
180 1 61 ARG H 1 61 ARG QG . . 3.160 2.238 1.765 2.782 . 0 0 "[ . 1 . 2]" 2
181 1 56 GLU H 1 57 VAL H . . 3.120 2.862 2.651 3.054 . 0 0 "[ . 1 . 2]" 2
182 1 56 GLU H 1 56 GLU HB2 . . 3.890 2.258 2.182 2.375 . 0 0 "[ . 1 . 2]" 2
183 1 55 LYS HB3 1 56 GLU H . . 4.100 3.229 2.633 4.125 0.025 10 0 "[ . 1 . 2]" 2
184 1 46 ASP H 1 47 CYS H . . 3.590 2.590 2.525 2.638 . 0 0 "[ . 1 . 2]" 2
185 1 44 HIS HB3 1 47 CYS H . . 3.650 2.315 2.270 2.362 . 0 0 "[ . 1 . 2]" 2
186 1 44 HIS HB2 1 47 CYS H . . 3.600 2.838 2.785 2.890 . 0 0 "[ . 1 . 2]" 2
187 1 47 CYS H 1 47 CYS HB2 . . 3.360 2.580 2.550 2.620 . 0 0 "[ . 1 . 2]" 2
188 1 67 ALA HA 1 70 THR H . . 3.690 3.332 3.063 3.540 . 0 0 "[ . 1 . 2]" 2
189 1 70 THR H 1 70 THR HG1 . . 3.790 2.508 1.883 3.303 . 0 0 "[ . 1 . 2]" 2
190 1 70 THR H 1 70 THR HB . . 3.360 2.765 2.627 2.894 . 0 0 "[ . 1 . 2]" 2
191 1 70 THR H 1 70 THR MG . . 3.780 3.752 3.708 3.776 . 0 0 "[ . 1 . 2]" 2
192 1 24 GLN H 1 24 GLN QG . . 3.160 3.022 2.857 3.148 . 0 0 "[ . 1 . 2]" 2
193 1 24 GLN H 1 24 GLN QB . . 3.160 2.649 2.527 2.742 . 0 0 "[ . 1 . 2]" 2
194 1 23 ARG H 1 24 GLN H . . 3.530 2.785 2.702 2.893 . 0 0 "[ . 1 . 2]" 2
195 1 22 CYS H 1 23 ARG H . . 2.740 2.280 2.250 2.329 . 0 0 "[ . 1 . 2]" 2
196 1 42 LEU HA 1 43 TYR H . . 3.250 2.155 2.148 2.166 . 0 0 "[ . 1 . 2]" 2
197 1 21 VAL H 1 22 CYS H . . 3.280 3.033 2.954 3.084 . 0 0 "[ . 1 . 2]" 2
198 1 22 CYS H 1 22 CYS HB2 . . 3.750 3.657 3.651 3.662 . 0 0 "[ . 1 . 2]" 2
199 1 22 CYS H 1 22 CYS HB3 . . 3.750 2.661 2.630 2.689 . 0 0 "[ . 1 . 2]" 2
200 1 21 VAL HB 1 22 CYS H . . 3.220 1.906 1.886 1.931 . 0 0 "[ . 1 . 2]" 2
201 1 57 VAL H 1 58 ASN H . . 3.030 2.797 2.510 2.952 . 0 0 "[ . 1 . 2]" 2
202 1 58 ASN H 1 59 ASP H . . 3.480 2.705 2.561 2.842 . 0 0 "[ . 1 . 2]" 2
203 1 58 ASN H 1 58 ASN HB2 . . 3.640 2.236 2.154 2.531 . 0 0 "[ . 1 . 2]" 2
204 1 58 ASN H 1 58 ASN HB3 . . 3.640 3.515 3.460 3.602 . 0 0 "[ . 1 . 2]" 2
205 1 54 ASP HA 1 57 VAL H . . 3.880 3.576 3.235 3.893 0.013 6 0 "[ . 1 . 2]" 2
206 1 56 GLU HB2 1 57 VAL H . . 3.330 2.329 2.078 2.697 . 0 0 "[ . 1 . 2]" 2
207 1 57 VAL H 1 57 VAL HB . . 3.620 3.332 2.180 3.626 0.006 2 0 "[ . 1 . 2]" 2
208 1 56 GLU HB3 1 57 VAL H . . 3.330 2.846 2.560 3.195 . 0 0 "[ . 1 . 2]" 2
209 1 57 VAL H 1 57 VAL MG1 . . 3.480 2.383 1.875 3.739 0.259 16 0 "[ . 1 . 2]" 2
210 1 57 VAL H 1 57 VAL MG2 . . 3.480 2.394 1.763 3.564 0.084 4 0 "[ . 1 . 2]" 2
211 1 52 VAL MG1 1 57 VAL H . . 3.930 3.278 3.021 3.577 . 0 0 "[ . 1 . 2]" 2
212 1 37 GLN HE22 1 37 GLN HG2 . . 4.050 3.579 3.444 4.098 0.048 2 0 "[ . 1 . 2]" 2
213 1 40 HIS H 1 41 ASN H . . 3.610 2.610 2.484 2.668 . 0 0 "[ . 1 . 2]" 2
214 1 39 CYS H 1 40 HIS H . . 3.400 2.439 2.319 2.521 . 0 0 "[ . 1 . 2]" 2
215 1 36 CYS HB3 1 40 HIS H . . 3.490 2.216 1.996 2.603 . 0 0 "[ . 1 . 2]" 2
216 1 38 GLU HB3 1 40 HIS H . . 4.520 4.260 4.158 4.431 . 0 0 "[ . 1 . 2]" 2
217 1 54 ASP QB 1 58 ASN HD21 . . 4.060 3.082 2.141 4.071 0.011 10 0 "[ . 1 . 2]" 2
218 1 24 GLN QB 1 26 THR H . . 3.080 2.417 2.311 2.512 . 0 0 "[ . 1 . 2]" 2
219 1 25 MET H 1 26 THR H . . 3.180 1.949 1.817 2.080 . 0 0 "[ . 1 . 2]" 2
220 1 26 THR H 1 26 THR HB . . 3.530 2.636 2.391 2.736 . 0 0 "[ . 1 . 2]" 2
221 1 45 GLN QE 1 45 GLN HG3 . . 3.180 2.339 2.102 3.236 0.056 12 0 "[ . 1 . 2]" 2
222 1 26 THR H 1 26 THR MG . . 3.960 3.632 2.421 3.822 . 0 0 "[ . 1 . 2]" 2
223 1 16 GLY H 1 16 GLY HA2 . . 2.830 2.317 2.295 2.368 . 0 0 "[ . 1 . 2]" 2
224 1 8 ALA MB 1 9 ASP H . . 4.490 2.668 2.115 3.688 . 0 0 "[ . 1 . 2]" 2
225 1 70 THR HA 1 73 MET H . . 4.320 3.854 3.344 4.213 . 0 0 "[ . 1 . 2]" 2
226 1 69 CYS HA 1 73 MET H . . 4.330 3.966 3.520 4.400 0.070 12 0 "[ . 1 . 2]" 2
227 1 70 THR H 1 73 MET H . . 5.390 4.952 4.720 5.134 . 0 0 "[ . 1 . 2]" 2
228 1 11 PHE H 1 11 PHE QD . . 4.490 3.951 2.101 4.509 0.019 2 0 "[ . 1 . 2]" 2
229 1 8 ALA MB 1 10 ASP H . . 5.500 4.916 2.894 5.484 . 0 0 "[ . 1 . 2]" 2
230 1 11 PHE H 1 12 ALA MB . . 5.500 5.149 3.945 5.524 0.024 6 0 "[ . 1 . 2]" 2
231 1 11 PHE H 1 13 MET QB . . 5.460 4.662 3.548 5.364 . 0 0 "[ . 1 . 2]" 2
232 1 12 ALA H 1 13 MET QB . . 4.800 4.489 3.714 4.822 0.022 14 0 "[ . 1 . 2]" 2
233 1 11 PHE QD 1 12 ALA H . . 4.800 2.951 2.181 3.760 . 0 0 "[ . 1 . 2]" 2
234 1 13 MET H 1 14 GLU H . . 3.350 2.894 1.787 3.194 . 0 0 "[ . 1 . 2]" 2
235 1 12 ALA MB 1 14 GLU H . . 5.150 4.572 4.217 5.063 . 0 0 "[ . 1 . 2]" 2
236 1 13 MET QG 1 14 GLU H . . 4.620 4.094 1.864 4.669 0.049 15 0 "[ . 1 . 2]" 2
237 1 11 PHE HA 1 14 GLU H . . 5.180 4.860 4.107 5.221 0.041 20 0 "[ . 1 . 2]" 2
238 1 16 GLY H 1 17 LEU HB3 . . 5.250 4.913 4.667 5.126 . 0 0 "[ . 1 . 2]" 2
239 1 16 GLY H 1 17 LEU HG . . 5.480 4.297 3.920 4.688 . 0 0 "[ . 1 . 2]" 2
240 1 14 GLU QB 1 16 GLY H . . 4.800 4.466 3.866 4.794 . 0 0 "[ . 1 . 2]" 2
241 1 15 MET QB 1 16 GLY H . . 3.770 2.518 2.206 2.944 . 0 0 "[ . 1 . 2]" 2
242 1 14 GLU QG 1 16 GLY H . . 5.500 5.343 4.639 5.541 0.041 20 0 "[ . 1 . 2]" 2
243 1 16 GLY H 1 25 MET QG . . 5.500 5.286 4.362 5.538 0.038 20 0 "[ . 1 . 2]" 2
244 1 12 ALA HA 1 16 GLY H . . 5.220 3.952 1.939 5.123 . 0 0 "[ . 1 . 2]" 2
245 1 14 GLU HA 1 16 GLY H . . 5.500 4.686 3.996 5.499 . 0 0 "[ . 1 . 2]" 2
246 1 15 MET QB 1 17 LEU H . . 3.960 3.326 2.734 3.761 . 0 0 "[ . 1 . 2]" 2
247 1 17 LEU H 1 17 LEU MD1 . . 4.100 3.700 3.133 3.972 . 0 0 "[ . 1 . 2]" 2
248 1 17 LEU H 1 42 LEU MD1 . . 3.920 3.737 3.447 3.935 0.015 15 0 "[ . 1 . 2]" 2
249 1 18 ALA H 1 33 LEU MD2 . . 5.500 4.981 4.601 5.256 . 0 0 "[ . 1 . 2]" 2
250 1 18 ALA H 1 25 MET QG . . 4.470 3.500 3.062 3.751 . 0 0 "[ . 1 . 2]" 2
251 1 16 GLY HA3 1 18 ALA H . . 4.470 4.369 4.050 4.475 0.005 6 0 "[ . 1 . 2]" 2
252 1 16 GLY HA2 1 18 ALA H . . 4.050 3.210 3.076 3.261 . 0 0 "[ . 1 . 2]" 2
253 1 18 ALA H 1 19 CYS H . . 4.590 4.520 4.447 4.590 . 0 0 "[ . 1 . 2]" 2
254 1 16 GLY H 1 18 ALA H . . 4.760 4.557 4.213 4.763 0.003 20 0 "[ . 1 . 2]" 2
255 1 19 CYS H 1 33 LEU MD1 . . 4.280 3.137 2.960 3.400 . 0 0 "[ . 1 . 2]" 2
256 1 19 CYS H 1 25 MET QG . . 4.650 4.529 4.364 4.670 0.020 8 0 "[ . 1 . 2]" 2
257 1 19 CYS H 1 42 LEU HB2 . . 4.950 4.241 4.093 4.369 . 0 0 "[ . 1 . 2]" 2
258 1 19 CYS H 1 25 MET HA . . 4.280 3.906 3.768 4.039 . 0 0 "[ . 1 . 2]" 2
259 1 19 CYS H 1 23 ARG HA . . 4.320 3.975 3.849 4.110 . 0 0 "[ . 1 . 2]" 2
260 1 19 CYS H 1 43 TYR HA . . 5.500 5.491 5.413 5.563 0.063 20 0 "[ . 1 . 2]" 2
261 1 19 CYS H 1 23 ARG H . . 4.630 4.516 4.432 4.618 . 0 0 "[ . 1 . 2]" 2
262 1 19 CYS H 1 20 VAL H . . 4.650 4.555 4.521 4.579 . 0 0 "[ . 1 . 2]" 2
263 1 19 CYS H 1 25 MET H . . 5.500 5.384 5.272 5.506 0.006 18 0 "[ . 1 . 2]" 2
264 1 19 CYS H 1 44 HIS H . . 5.500 4.898 4.726 5.063 . 0 0 "[ . 1 . 2]" 2
265 1 19 CYS H 1 21 VAL H . . 5.480 5.302 5.164 5.400 . 0 0 "[ . 1 . 2]" 2
266 1 20 VAL H 1 33 LEU MD2 . . 4.740 4.525 4.433 4.615 . 0 0 "[ . 1 . 2]" 2
267 1 20 VAL H 1 42 LEU HB3 . . 4.720 4.375 4.302 4.425 . 0 0 "[ . 1 . 2]" 2
268 1 20 VAL H 1 21 VAL MG2 . . 5.460 3.483 3.443 3.522 . 0 0 "[ . 1 . 2]" 2
269 1 20 VAL H 1 42 LEU HB2 . . 4.800 3.827 3.737 3.976 . 0 0 "[ . 1 . 2]" 2
270 1 19 CYS HB3 1 20 VAL H . . 4.590 3.725 3.676 3.763 . 0 0 "[ . 1 . 2]" 2
271 1 20 VAL H 1 43 TYR QD . . 5.230 4.274 4.210 4.328 . 0 0 "[ . 1 . 2]" 2
272 1 20 VAL H 1 22 CYS H . . 5.500 4.733 4.660 4.808 . 0 0 "[ . 1 . 2]" 2
273 1 20 VAL H 1 44 HIS H . . 4.390 4.057 3.967 4.128 . 0 0 "[ . 1 . 2]" 2
274 1 20 VAL HB 1 21 VAL H . . 4.510 4.334 4.281 4.427 . 0 0 "[ . 1 . 2]" 2
275 1 21 VAL H 1 47 CYS HB2 . . 4.800 4.581 4.506 4.691 . 0 0 "[ . 1 . 2]" 2
276 1 21 VAL H 1 22 CYS HA . . 5.500 5.379 5.304 5.420 . 0 0 "[ . 1 . 2]" 2
277 1 21 VAL H 1 43 TYR HA . . 5.020 3.740 3.676 3.808 . 0 0 "[ . 1 . 2]" 2
278 1 21 VAL H 1 43 TYR QD . . 4.780 4.281 4.087 4.497 . 0 0 "[ . 1 . 2]" 2
279 1 21 VAL H 1 23 ARG H . . 3.410 3.354 3.242 3.409 . 0 0 "[ . 1 . 2]" 2
280 1 20 VAL MG2 1 22 CYS H . . 5.500 5.537 5.501 5.565 0.065 3 0 "[ . 1 . 2]" 2
281 1 22 CYS H 1 47 CYS HB3 . . 4.090 3.695 3.625 3.750 . 0 0 "[ . 1 . 2]" 2
282 1 22 CYS H 1 23 ARG HA . . 4.700 4.521 4.503 4.535 . 0 0 "[ . 1 . 2]" 2
283 1 19 CYS H 1 22 CYS H . . 5.500 5.551 5.516 5.596 0.096 17 0 "[ . 1 . 2]" 2
284 1 22 CYS H 1 24 GLN H . . 4.320 4.121 4.079 4.183 . 0 0 "[ . 1 . 2]" 2
285 1 22 CYS H 1 44 HIS H . . 5.280 5.142 5.067 5.188 . 0 0 "[ . 1 . 2]" 2
286 1 18 ALA MB 1 23 ARG H . . 4.770 4.517 4.316 4.787 0.017 4 0 "[ . 1 . 2]" 2
287 1 23 ARG H 1 23 ARG HG2 . . 4.310 3.869 2.746 4.362 0.052 2 0 "[ . 1 . 2]" 2
288 1 23 ARG H 1 24 GLN QG . . 4.460 4.108 3.891 4.234 . 0 0 "[ . 1 . 2]" 2
289 1 23 ARG H 1 23 ARG QD . . 4.730 4.276 2.365 4.755 0.025 14 0 "[ . 1 . 2]" 2
290 1 20 VAL H 1 23 ARG H . . 4.480 4.356 4.299 4.456 . 0 0 "[ . 1 . 2]" 2
291 1 18 ALA MB 1 24 GLN H . . 4.230 2.905 2.623 3.113 . 0 0 "[ . 1 . 2]" 2
292 1 23 ARG HB3 1 24 GLN H . . 4.590 4.385 4.334 4.440 . 0 0 "[ . 1 . 2]" 2
293 1 23 ARG HB2 1 24 GLN H . . 4.590 4.376 4.319 4.435 . 0 0 "[ . 1 . 2]" 2
294 1 19 CYS H 1 24 GLN H . . 3.910 2.999 2.904 3.143 . 0 0 "[ . 1 . 2]" 2
295 1 24 GLN H 1 44 HIS HE1 . . 3.790 3.190 3.088 3.296 . 0 0 "[ . 1 . 2]" 2
296 1 24 GLN H 1 25 MET H . . 4.700 4.438 4.390 4.484 . 0 0 "[ . 1 . 2]" 2
297 1 18 ALA MB 1 25 MET H . . 4.700 3.600 3.321 3.859 . 0 0 "[ . 1 . 2]" 2
298 1 25 MET H 1 26 THR MG . . 5.440 5.120 3.618 5.330 . 0 0 "[ . 1 . 2]" 2
299 1 25 MET H 1 26 THR HA . . 5.110 4.451 4.364 4.602 . 0 0 "[ . 1 . 2]" 2
300 1 26 THR H 1 33 LEU MD1 . . 5.500 4.769 4.395 4.993 . 0 0 "[ . 1 . 2]" 2
301 1 45 GLN QE 1 52 VAL MG2 . . 5.500 5.168 4.594 5.506 0.006 3 0 "[ . 1 . 2]" 2
302 1 18 ALA MB 1 26 THR H . . 5.500 4.986 4.716 5.227 . 0 0 "[ . 1 . 2]" 2
303 1 45 GLN QE 1 52 VAL HB . . 4.480 4.317 3.734 4.519 0.039 10 0 "[ . 1 . 2]" 2
304 1 24 GLN H 1 26 THR H . . 5.500 5.304 5.165 5.488 . 0 0 "[ . 1 . 2]" 2
305 1 26 THR H 1 27 VAL H . . 4.650 4.522 4.395 4.637 . 0 0 "[ . 1 . 2]" 2
306 1 27 VAL H 1 28 ALA H . . 4.450 4.399 4.358 4.438 . 0 0 "[ . 1 . 2]" 2
307 1 28 ALA H 1 31 ASN HB3 . . 4.640 3.736 2.688 4.462 . 0 0 "[ . 1 . 2]" 2
308 1 28 ALA H 1 32 GLN QG . . 4.910 3.572 3.041 4.833 . 0 0 "[ . 1 . 2]" 2
309 1 28 ALA H 1 31 ASN HB2 . . 4.640 3.884 3.328 4.644 0.004 9 0 "[ . 1 . 2]" 2
310 1 28 ALA H 1 29 SER HA . . 5.410 5.042 4.942 5.143 . 0 0 "[ . 1 . 2]" 2
311 1 28 ALA H 1 44 HIS HD2 . . 5.380 5.152 4.452 5.375 . 0 0 "[ . 1 . 2]" 2
312 1 28 ALA H 1 31 ASN H . . 4.510 3.663 3.376 4.023 . 0 0 "[ . 1 . 2]" 2
313 1 28 ALA H 1 30 GLY H . . 5.500 4.890 4.309 5.485 . 0 0 "[ . 1 . 2]" 2
314 1 28 ALA H 1 32 GLN H . . 5.500 4.366 3.922 4.647 . 0 0 "[ . 1 . 2]" 2
315 1 28 ALA H 1 33 LEU H . . 5.500 5.453 5.197 5.622 0.122 9 0 "[ . 1 . 2]" 2
316 1 28 ALA MB 1 30 GLY H . . 5.380 3.641 2.405 5.294 . 0 0 "[ . 1 . 2]" 2
317 1 30 GLY H 1 32 GLN QG . . 5.050 3.906 2.634 4.688 . 0 0 "[ . 1 . 2]" 2
318 1 29 SER QB 1 30 GLY H . . 4.010 3.110 2.503 3.907 . 0 0 "[ . 1 . 2]" 2
319 1 32 GLN H 1 57 VAL MG1 . . 5.500 4.733 4.023 5.512 0.012 16 0 "[ . 1 . 2]" 2
320 1 32 GLN H 1 57 VAL MG2 . . 5.500 4.638 3.635 5.342 . 0 0 "[ . 1 . 2]" 2
321 1 32 GLN H 1 32 GLN HB2 . . 3.790 2.481 2.219 2.599 . 0 0 "[ . 1 . 2]" 2
322 1 30 GLY QA 1 32 GLN H . . 5.050 4.252 3.508 4.764 . 0 0 "[ . 1 . 2]" 2
323 1 31 ASN H 1 32 GLN H . . 4.250 3.755 2.865 4.236 . 0 0 "[ . 1 . 2]" 2
324 1 33 LEU H 1 44 HIS HD2 . . 5.470 4.219 4.026 4.424 . 0 0 "[ . 1 . 2]" 2
325 1 32 GLN H 1 33 LEU H . . 4.720 4.453 4.417 4.545 . 0 0 "[ . 1 . 2]" 2
326 1 34 VAL H 1 42 LEU MD2 . . 4.820 3.719 3.570 3.955 . 0 0 "[ . 1 . 2]" 2
327 1 33 LEU HB3 1 34 VAL H . . 3.960 2.628 2.324 3.244 . 0 0 "[ . 1 . 2]" 2
328 1 34 VAL H 1 43 TYR HB2 . . 5.470 4.476 4.352 4.710 . 0 0 "[ . 1 . 2]" 2
329 1 34 VAL H 1 44 HIS HA . . 4.240 3.252 3.031 3.446 . 0 0 "[ . 1 . 2]" 2
330 1 34 VAL H 1 42 LEU HA . . 4.970 4.183 4.019 4.427 . 0 0 "[ . 1 . 2]" 2
331 1 33 LEU H 1 34 VAL H . . 4.540 4.544 4.462 4.570 0.030 8 0 "[ . 1 . 2]" 2
332 1 34 VAL HB 1 35 GLU H . . 4.170 3.590 3.491 3.720 . 0 0 "[ . 1 . 2]" 2
333 1 35 GLU H 1 36 CYS H . . 4.400 4.304 4.217 4.389 . 0 0 "[ . 1 . 2]" 2
334 1 34 VAL H 1 35 GLU H . . 4.930 4.433 4.368 4.505 . 0 0 "[ . 1 . 2]" 2
335 1 35 GLU H 1 43 TYR H . . 5.310 4.715 4.582 4.805 . 0 0 "[ . 1 . 2]" 2
336 1 36 CYS H 1 42 LEU MD2 . . 4.150 4.072 3.894 4.160 0.010 5 0 "[ . 1 . 2]" 2
337 1 35 GLU QG 1 36 CYS H . . 4.020 2.740 2.521 2.961 . 0 0 "[ . 1 . 2]" 2
338 1 35 GLU HA 1 36 CYS H . . 3.320 2.152 2.139 2.176 . 0 0 "[ . 1 . 2]" 2
339 1 36 CYS H 1 42 LEU HA . . 4.240 3.767 3.615 3.874 . 0 0 "[ . 1 . 2]" 2
340 1 36 CYS H 1 64 TRP HZ3 . . 4.330 3.482 3.316 3.640 . 0 0 "[ . 1 . 2]" 2
341 1 36 CYS H 1 43 TYR QE . . 5.440 5.268 5.135 5.398 . 0 0 "[ . 1 . 2]" 2
342 1 35 GLU QG 1 37 GLN H . . 5.500 5.155 4.953 5.506 0.006 11 0 "[ . 1 . 2]" 2
343 1 37 GLN H 1 38 GLU HB3 . . 5.500 4.741 4.619 4.913 . 0 0 "[ . 1 . 2]" 2
344 1 37 GLN H 1 38 GLU HB2 . . 4.950 4.222 4.128 4.301 . 0 0 "[ . 1 . 2]" 2
345 1 36 CYS HB2 1 37 GLN H . . 4.640 3.816 3.662 3.898 . 0 0 "[ . 1 . 2]" 2
346 1 37 GLN H 1 64 TRP HB3 . . 5.170 4.472 4.176 4.669 . 0 0 "[ . 1 . 2]" 2
347 1 36 CYS HB3 1 37 GLN H . . 5.430 3.591 3.445 3.747 . 0 0 "[ . 1 . 2]" 2
348 1 37 GLN H 1 65 TYR HA . . 4.110 3.113 2.907 3.283 . 0 0 "[ . 1 . 2]" 2
349 1 37 GLN H 1 64 TRP H . . 4.820 4.616 4.069 4.839 0.019 1 0 "[ . 1 . 2]" 2
350 1 37 GLN H 1 66 CYS H . . 4.730 4.440 4.210 4.591 . 0 0 "[ . 1 . 2]" 2
351 1 37 GLN HB2 1 38 GLU H . . 4.760 2.834 2.643 3.009 . 0 0 "[ . 1 . 2]" 2
352 1 38 GLU H 1 38 GLU HG2 . . 5.090 4.414 4.242 4.657 . 0 0 "[ . 1 . 2]" 2
353 1 37 GLN HG2 1 38 GLU H . . 4.420 4.258 3.936 4.411 . 0 0 "[ . 1 . 2]" 2
354 1 36 CYS HB3 1 38 GLU H . . 4.820 3.961 3.631 4.413 . 0 0 "[ . 1 . 2]" 2
355 1 36 CYS HA 1 38 GLU H . . 4.520 4.214 4.073 4.358 . 0 0 "[ . 1 . 2]" 2
356 1 38 GLU H 1 65 TYR HA . . 5.190 3.928 3.801 4.011 . 0 0 "[ . 1 . 2]" 2
357 1 38 GLU H 1 65 TYR QE . . 4.350 2.309 2.025 2.547 . 0 0 "[ . 1 . 2]" 2
358 1 37 GLN H 1 38 GLU H . . 3.880 2.127 2.069 2.202 . 0 0 "[ . 1 . 2]" 2
359 1 38 GLU H 1 66 CYS H . . 4.850 4.788 4.642 4.845 . 0 0 "[ . 1 . 2]" 2
360 1 38 GLU HG2 1 39 CYS H . . 4.900 4.485 4.062 4.769 . 0 0 "[ . 1 . 2]" 2
361 1 36 CYS HB2 1 39 CYS H . . 4.500 4.375 4.231 4.498 . 0 0 "[ . 1 . 2]" 2
362 1 39 CYS H 1 39 CYS HB2 . . 4.010 3.188 2.745 3.627 . 0 0 "[ . 1 . 2]" 2
363 1 36 CYS HB3 1 39 CYS H . . 4.170 3.382 3.156 3.793 . 0 0 "[ . 1 . 2]" 2
364 1 39 CYS H 1 65 TYR QD . . 4.430 4.061 3.876 4.196 . 0 0 "[ . 1 . 2]" 2
365 1 39 CYS H 1 40 HIS HD2 . . 4.950 4.514 4.169 4.701 . 0 0 "[ . 1 . 2]" 2
366 1 39 CYS H 1 41 ASN H . . 4.420 4.207 4.065 4.372 . 0 0 "[ . 1 . 2]" 2
367 1 37 GLN H 1 39 CYS H . . 4.440 4.227 3.994 4.379 . 0 0 "[ . 1 . 2]" 2
368 1 39 CYS H 1 66 CYS H . . 5.100 4.775 4.604 4.998 . 0 0 "[ . 1 . 2]" 2
369 1 36 CYS HB2 1 40 HIS H . . 4.350 3.887 3.727 4.096 . 0 0 "[ . 1 . 2]" 2
370 1 37 GLN HA 1 40 HIS H . . 4.790 4.167 4.067 4.267 . 0 0 "[ . 1 . 2]" 2
371 1 36 CYS H 1 40 HIS H . . 4.630 4.226 4.045 4.431 . 0 0 "[ . 1 . 2]" 2
372 1 38 GLU H 1 40 HIS H . . 4.160 3.358 3.206 3.544 . 0 0 "[ . 1 . 2]" 2
373 1 41 ASN H 1 42 LEU MD2 . . 5.500 5.461 5.307 5.532 0.032 14 0 "[ . 1 . 2]" 2
374 1 20 VAL MG1 1 41 ASN H . . 5.250 5.127 4.835 5.230 . 0 0 "[ . 1 . 2]" 2
375 1 35 GLU QG 1 41 ASN H . . 4.780 4.122 3.881 4.330 . 0 0 "[ . 1 . 2]" 2
376 1 39 CYS HB3 1 41 ASN H . . 4.620 4.339 3.731 4.591 . 0 0 "[ . 1 . 2]" 2
377 1 36 CYS HB2 1 41 ASN H . . 4.000 3.220 2.970 3.587 . 0 0 "[ . 1 . 2]" 2
378 1 41 ASN H 1 43 TYR QE . . 4.570 4.199 4.078 4.340 . 0 0 "[ . 1 . 2]" 2
379 1 41 ASN H 1 42 LEU H . . 4.760 4.538 4.440 4.564 . 0 0 "[ . 1 . 2]" 2
380 1 36 CYS H 1 41 ASN H . . 3.840 3.021 2.835 3.182 . 0 0 "[ . 1 . 2]" 2
381 1 33 LEU MD2 1 42 LEU H . . 5.500 5.446 5.251 5.525 0.025 19 0 "[ . 1 . 2]" 2
382 1 20 VAL HB 1 42 LEU H . . 5.310 3.790 3.429 4.048 . 0 0 "[ . 1 . 2]" 2
383 1 41 ASN HB2 1 42 LEU H . . 4.090 3.864 1.916 4.042 . 0 0 "[ . 1 . 2]" 2
384 1 19 CYS HA 1 42 LEU H . . 4.650 3.860 3.596 3.957 . 0 0 "[ . 1 . 2]" 2
385 1 41 ASN HD22 1 42 LEU H . . 5.500 5.297 5.074 5.545 0.045 16 0 "[ . 1 . 2]" 2
386 1 41 ASN HD21 1 42 LEU H . . 5.500 3.989 3.612 4.750 . 0 0 "[ . 1 . 2]" 2
387 1 20 VAL H 1 42 LEU H . . 4.410 4.353 3.798 4.432 0.022 2 0 "[ . 1 . 2]" 2
388 1 42 LEU H 1 43 TYR H . . 4.610 4.507 4.405 4.534 . 0 0 "[ . 1 . 2]" 2
389 1 34 VAL MG1 1 43 TYR H . . 4.650 4.285 4.102 4.491 . 0 0 "[ . 1 . 2]" 2
390 1 34 VAL MG2 1 43 TYR H . . 4.650 4.356 4.196 4.569 . 0 0 "[ . 1 . 2]" 2
391 1 42 LEU HB3 1 43 TYR H . . 3.940 3.256 3.178 3.307 . 0 0 "[ . 1 . 2]" 2
392 1 42 LEU HB2 1 43 TYR H . . 4.350 4.250 4.213 4.285 . 0 0 "[ . 1 . 2]" 2
393 1 43 TYR H 1 43 TYR HB2 . . 3.940 2.595 2.572 2.625 . 0 0 "[ . 1 . 2]" 2
394 1 34 VAL HA 1 43 TYR H . . 5.500 4.586 4.553 4.641 . 0 0 "[ . 1 . 2]" 2
395 1 33 LEU HA 1 43 TYR H . . 4.890 4.827 4.653 4.931 0.041 4 0 "[ . 1 . 2]" 2
396 1 35 GLU HA 1 43 TYR H . . 4.310 3.449 3.283 3.568 . 0 0 "[ . 1 . 2]" 2
397 1 43 TYR H 1 43 TYR QE . . 5.500 5.502 5.424 5.547 0.047 17 0 "[ . 1 . 2]" 2
398 1 43 TYR H 1 43 TYR QD . . 3.990 3.425 3.302 3.506 . 0 0 "[ . 1 . 2]" 2
399 1 33 LEU MD1 1 44 HIS H . . 5.500 5.539 5.508 5.575 0.075 3 0 "[ . 1 . 2]" 2
400 1 19 CYS HB3 1 44 HIS H . . 4.350 2.668 2.506 2.820 . 0 0 "[ . 1 . 2]" 2
401 1 19 CYS HB2 1 44 HIS H . . 4.350 2.028 1.898 2.171 . 0 0 "[ . 1 . 2]" 2
402 1 19 CYS HA 1 44 HIS H . . 4.620 4.109 3.913 4.288 . 0 0 "[ . 1 . 2]" 2
403 1 44 HIS H 1 44 HIS HB3 . . 3.970 3.471 3.451 3.497 . 0 0 "[ . 1 . 2]" 2
404 1 33 LEU HA 1 44 HIS H . . 4.810 4.564 4.450 4.656 . 0 0 "[ . 1 . 2]" 2
405 1 44 HIS H 1 44 HIS HD2 . . 5.150 4.913 4.829 4.998 . 0 0 "[ . 1 . 2]" 2
406 1 43 TYR QD 1 44 HIS H . . 4.380 4.013 3.918 4.181 . 0 0 "[ . 1 . 2]" 2
407 1 44 HIS H 1 48 HIS H . . 4.390 4.102 3.998 4.250 . 0 0 "[ . 1 . 2]" 2
408 1 44 HIS H 1 47 CYS H . . 4.530 4.470 4.364 4.559 0.029 9 0 "[ . 1 . 2]" 2
409 1 44 HIS H 1 45 GLN H . . 4.850 4.536 4.518 4.559 . 0 0 "[ . 1 . 2]" 2
410 1 45 GLN H 1 52 VAL MG1 . . 5.500 4.833 4.670 4.979 . 0 0 "[ . 1 . 2]" 2
411 1 45 GLN H 1 52 VAL MG2 . . 5.130 4.654 4.351 4.961 . 0 0 "[ . 1 . 2]" 2
412 1 45 GLN H 1 52 VAL HB . . 4.960 4.363 4.217 4.493 . 0 0 "[ . 1 . 2]" 2
413 1 44 HIS HB2 1 45 GLN H . . 4.660 4.439 4.400 4.462 . 0 0 "[ . 1 . 2]" 2
414 1 44 HIS HB3 1 45 GLN H . . 4.080 3.454 3.374 3.500 . 0 0 "[ . 1 . 2]" 2
415 1 33 LEU HA 1 45 GLN H . . 4.280 2.661 2.583 2.853 . 0 0 "[ . 1 . 2]" 2
416 1 45 GLN H 1 47 CYS H . . 5.350 4.923 4.876 4.953 . 0 0 "[ . 1 . 2]" 2
417 1 34 VAL H 1 45 GLN H . . 4.140 3.891 3.528 4.143 0.003 5 0 "[ . 1 . 2]" 2
418 1 32 GLN H 1 45 GLN H . . 4.230 4.228 4.091 4.327 0.097 9 0 "[ . 1 . 2]" 2
419 1 44 HIS HD2 1 46 ASP H . . 5.500 4.344 4.239 4.437 . 0 0 "[ . 1 . 2]" 2
420 1 21 VAL MG1 1 47 CYS H . . 5.500 4.808 4.749 4.849 . 0 0 "[ . 1 . 2]" 2
421 1 21 VAL MG2 1 47 CYS H . . 4.940 4.743 4.704 4.821 . 0 0 "[ . 1 . 2]" 2
422 1 21 VAL HB 1 47 CYS H . . 5.370 5.229 5.210 5.280 . 0 0 "[ . 1 . 2]" 2
423 1 46 ASP HB3 1 47 CYS H . . 3.990 2.396 2.032 3.761 . 0 0 "[ . 1 . 2]" 2
424 1 46 ASP HB2 1 47 CYS H . . 3.990 3.507 2.821 3.750 . 0 0 "[ . 1 . 2]" 2
425 1 47 CYS H 1 48 HIS QB . . 4.770 4.706 4.679 4.726 . 0 0 "[ . 1 . 2]" 2
426 1 44 HIS HD2 1 47 CYS H . . 5.500 5.301 5.202 5.403 . 0 0 "[ . 1 . 2]" 2
427 1 48 HIS H 1 52 VAL MG2 . . 4.810 4.578 4.336 4.804 . 0 0 "[ . 1 . 2]" 2
428 1 21 VAL MG2 1 48 HIS H . . 4.470 3.774 3.705 3.896 . 0 0 "[ . 1 . 2]" 2
429 1 44 HIS HB2 1 48 HIS H . . 4.380 3.970 3.851 4.090 . 0 0 "[ . 1 . 2]" 2
430 1 47 CYS HB3 1 48 HIS H . . 3.600 3.610 3.513 3.641 0.041 5 0 "[ . 1 . 2]" 2
431 1 46 ASP HA 1 48 HIS H . . 4.740 4.088 4.003 4.185 . 0 0 "[ . 1 . 2]" 2
432 1 43 TYR HA 1 48 HIS H . . 5.500 5.010 4.908 5.092 . 0 0 "[ . 1 . 2]" 2
433 1 46 ASP H 1 48 HIS H . . 4.210 3.735 3.674 3.833 . 0 0 "[ . 1 . 2]" 2
434 1 49 LYS H 1 49 LYS HG2 . . 4.220 3.578 3.024 4.396 0.176 7 0 "[ . 1 . 2]" 2
435 1 48 HIS QB 1 49 LYS H . . 3.740 3.202 3.029 3.293 . 0 0 "[ . 1 . 2]" 2
436 1 49 LYS H 1 50 PRO HD2 . . 5.090 2.156 1.933 2.216 . 0 0 "[ . 1 . 2]" 2
437 1 43 TYR QE 1 49 LYS H . . 5.500 5.507 5.457 5.535 0.035 10 0 "[ . 1 . 2]" 2
438 1 43 TYR QD 1 49 LYS H . . 5.310 4.848 4.759 4.896 . 0 0 "[ . 1 . 2]" 2
439 1 48 HIS H 1 49 LYS H . . 4.870 4.637 4.620 4.641 . 0 0 "[ . 1 . 2]" 2
440 1 48 HIS HE1 1 49 LYS H . . 4.920 4.709 4.601 4.815 . 0 0 "[ . 1 . 2]" 2
441 1 51 GLN H 1 51 GLN HG3 . . 3.500 2.762 2.706 2.810 . 0 0 "[ . 1 . 2]" 2
442 1 52 VAL H 1 52 VAL MG1 . . 3.970 3.778 3.760 3.792 . 0 0 "[ . 1 . 2]" 2
443 1 45 GLN HG2 1 52 VAL H . . 4.740 4.449 4.338 4.604 . 0 0 "[ . 1 . 2]" 2
444 1 51 GLN HG2 1 52 VAL H . . 4.530 4.534 4.482 4.548 0.018 7 0 "[ . 1 . 2]" 2
445 1 48 HIS QB 1 52 VAL H . . 4.370 3.880 3.815 3.973 . 0 0 "[ . 1 . 2]" 2
446 1 46 ASP HA 1 52 VAL H . . 4.560 4.189 4.051 4.313 . 0 0 "[ . 1 . 2]" 2
447 1 48 HIS H 1 52 VAL H . . 5.500 5.540 5.520 5.598 0.098 7 0 "[ . 1 . 2]" 2
448 1 51 GLN H 1 52 VAL H . . 4.470 4.303 4.263 4.322 . 0 0 "[ . 1 . 2]" 2
449 1 52 VAL MG2 1 53 THR H . . 4.160 3.973 3.759 4.131 . 0 0 "[ . 1 . 2]" 2
450 1 52 VAL HB 1 53 THR H . . 5.170 3.968 3.734 4.200 . 0 0 "[ . 1 . 2]" 2
451 1 53 THR H 1 56 GLU HB3 . . 4.680 4.443 4.013 4.691 0.011 12 0 "[ . 1 . 2]" 2
452 1 53 THR H 1 56 GLU HB2 . . 4.680 3.093 2.695 3.438 . 0 0 "[ . 1 . 2]" 2
453 1 52 VAL H 1 53 THR H . . 5.190 4.577 4.499 4.616 . 0 0 "[ . 1 . 2]" 2
454 1 53 THR MG 1 54 ASP H . . 4.170 3.588 3.413 3.699 . 0 0 "[ . 1 . 2]" 2
455 1 55 LYS H 1 57 VAL H . . 5.270 4.878 4.333 5.239 . 0 0 "[ . 1 . 2]" 2
456 1 55 LYS H 1 58 ASN H . . 5.010 4.847 4.668 5.031 0.021 8 0 "[ . 1 . 2]" 2
457 1 52 VAL MG1 1 56 GLU H . . 4.440 4.236 4.041 4.415 . 0 0 "[ . 1 . 2]" 2
458 1 53 THR MG 1 56 GLU H . . 4.850 4.654 4.219 4.857 0.007 3 0 "[ . 1 . 2]" 2
459 1 55 LYS QG 1 56 GLU H . . 4.310 3.797 2.016 4.396 0.086 19 0 "[ . 1 . 2]" 2
460 1 54 ASP QB 1 56 GLU H . . 4.810 4.583 4.302 4.839 0.029 9 0 "[ . 1 . 2]" 2
461 1 56 GLU H 1 57 VAL HA . . 5.490 5.380 5.224 5.508 0.018 2 0 "[ . 1 . 2]" 2
462 1 53 THR HB 1 56 GLU H . . 4.860 3.910 3.388 4.279 . 0 0 "[ . 1 . 2]" 2
463 1 56 GLU H 1 58 ASN H . . 4.410 3.814 3.521 4.055 . 0 0 "[ . 1 . 2]" 2
464 1 53 THR H 1 56 GLU H . . 4.610 4.169 3.865 4.392 . 0 0 "[ . 1 . 2]" 2
465 1 54 ASP H 1 56 GLU H . . 4.940 4.071 3.912 4.362 . 0 0 "[ . 1 . 2]" 2
466 1 57 VAL H 1 58 ASN HA . . 5.500 5.365 5.133 5.500 . 0 0 "[ . 1 . 2]" 2
467 1 53 THR H 1 57 VAL H . . 5.500 4.754 4.324 5.272 . 0 0 "[ . 1 . 2]" 2
468 1 55 LYS HA 1 58 ASN H . . 3.970 3.805 3.280 3.991 0.021 3 0 "[ . 1 . 2]" 2
469 1 54 ASP HA 1 58 ASN H . . 4.380 4.052 3.747 4.350 . 0 0 "[ . 1 . 2]" 2
470 1 58 ASN H 1 59 ASP HA . . 5.380 5.285 5.173 5.383 0.003 16 0 "[ . 1 . 2]" 2
471 1 55 LYS HA 1 59 ASP H . . 5.130 4.337 3.789 4.834 . 0 0 "[ . 1 . 2]" 2
472 1 59 ASP H 1 60 PRO HD2 . . 5.500 4.602 4.491 4.731 . 0 0 "[ . 1 . 2]" 2
473 1 56 GLU HA 1 59 ASP H . . 4.610 3.571 3.435 3.824 . 0 0 "[ . 1 . 2]" 2
474 1 61 ARG H 1 61 ARG QD . . 4.270 3.718 1.869 4.306 0.036 20 0 "[ . 1 . 2]" 2
475 1 59 ASP HA 1 61 ARG H . . 4.160 3.689 3.339 3.904 . 0 0 "[ . 1 . 2]" 2
476 1 60 PRO HD3 1 61 ARG H . . 3.930 3.844 3.836 3.927 . 0 0 "[ . 1 . 2]" 2
477 1 60 PRO HD2 1 62 LEU H . . 4.820 4.806 4.733 4.900 0.080 10 0 "[ . 1 . 2]" 2
478 1 60 PRO HA 1 62 LEU H . . 4.170 3.714 3.565 3.894 . 0 0 "[ . 1 . 2]" 2
479 1 59 ASP HA 1 62 LEU H . . 5.250 4.773 4.459 4.934 . 0 0 "[ . 1 . 2]" 2
480 1 62 LEU H 1 63 VAL H . . 4.560 4.479 4.385 4.551 . 0 0 "[ . 1 . 2]" 2
481 1 62 LEU HG 1 63 VAL H . . 4.160 2.841 2.105 3.240 . 0 0 "[ . 1 . 2]" 2
482 1 63 VAL H 1 64 TRP H . . 4.330 4.229 4.077 4.358 0.028 11 0 "[ . 1 . 2]" 2
483 1 62 LEU HG 1 64 TRP H . . 4.320 3.660 3.252 4.346 0.026 11 0 "[ . 1 . 2]" 2
484 1 63 VAL HB 1 64 TRP H . . 4.450 4.369 3.486 4.472 0.022 15 0 "[ . 1 . 2]" 2
485 1 37 GLN HG3 1 64 TRP H . . 4.130 3.120 2.299 3.549 . 0 0 "[ . 1 . 2]" 2
486 1 64 TRP H 1 65 TYR H . . 4.600 4.535 4.446 4.601 0.001 17 0 "[ . 1 . 2]" 2
487 1 65 TYR H 1 65 TYR HB2 . . 3.840 2.621 2.502 2.733 . 0 0 "[ . 1 . 2]" 2
488 1 64 TRP HB2 1 65 TYR H . . 4.290 4.206 4.038 4.307 0.017 3 0 "[ . 1 . 2]" 2
489 1 64 TRP HB3 1 65 TYR H . . 4.230 3.878 3.656 4.050 . 0 0 "[ . 1 . 2]" 2
490 1 65 TYR H 1 65 TYR QD . . 4.150 3.865 3.760 3.961 . 0 0 "[ . 1 . 2]" 2
491 1 37 GLN H 1 65 TYR H . . 5.500 5.258 5.105 5.410 . 0 0 "[ . 1 . 2]" 2
492 1 65 TYR H 1 66 CYS H . . 4.940 4.305 4.124 4.469 . 0 0 "[ . 1 . 2]" 2
493 1 36 CYS HB2 1 66 CYS H . . 4.000 3.104 3.009 3.157 . 0 0 "[ . 1 . 2]" 2
494 1 66 CYS H 1 66 CYS HB2 . . 3.990 3.641 3.577 3.720 . 0 0 "[ . 1 . 2]" 2
495 1 36 CYS HB3 1 66 CYS H . . 4.250 4.297 4.183 4.375 0.125 15 0 "[ . 1 . 2]" 2
496 1 36 CYS HA 1 66 CYS H . . 4.390 4.062 3.764 4.339 . 0 0 "[ . 1 . 2]" 2
497 1 64 TRP HZ3 1 66 CYS H . . 4.580 4.069 3.600 4.544 . 0 0 "[ . 1 . 2]" 2
498 1 65 TYR QD 1 66 CYS H . . 4.250 3.386 3.211 3.574 . 0 0 "[ . 1 . 2]" 2
499 1 66 CYS H 1 69 CYS H . . 4.510 4.044 3.760 4.451 . 0 0 "[ . 1 . 2]" 2
500 1 66 CYS HB2 1 68 ARG H . . 4.150 3.443 3.146 3.668 . 0 0 "[ . 1 . 2]" 2
501 1 29 SER QB 1 31 ASN H . . 5.040 4.722 4.281 5.058 0.018 17 0 "[ . 1 . 2]" 2
502 1 66 CYS HA 1 68 ARG H . . 5.060 4.492 4.306 4.663 . 0 0 "[ . 1 . 2]" 2
503 1 68 ARG HG3 1 69 CYS H . . 5.500 4.931 4.603 5.093 . 0 0 "[ . 1 . 2]" 2
504 1 68 ARG HG2 1 69 CYS H . . 4.790 4.735 4.653 4.788 . 0 0 "[ . 1 . 2]" 2
505 1 66 CYS HB2 1 69 CYS H . . 4.940 4.415 4.341 4.492 . 0 0 "[ . 1 . 2]" 2
506 1 68 ARG QD 1 69 CYS H . . 5.420 4.774 4.447 4.891 . 0 0 "[ . 1 . 2]" 2
507 1 66 CYS HA 1 69 CYS H . . 5.480 4.804 4.716 5.071 . 0 0 "[ . 1 . 2]" 2
508 1 69 CYS H 1 70 THR HA . . 5.500 5.041 4.947 5.275 . 0 0 "[ . 1 . 2]" 2
509 1 69 CYS H 1 70 THR HB . . 4.880 4.673 4.510 4.897 0.017 9 0 "[ . 1 . 2]" 2
510 1 70 THR H 1 71 ARG QB . . 5.500 5.102 4.961 5.202 . 0 0 "[ . 1 . 2]" 2
511 1 70 THR H 1 73 MET QB . . 5.500 5.179 4.952 5.498 . 0 0 "[ . 1 . 2]" 2
512 1 69 CYS HB3 1 70 THR H . . 4.070 3.673 3.390 3.887 . 0 0 "[ . 1 . 2]" 2
513 1 69 CYS HB2 1 70 THR H . . 4.070 2.976 2.413 3.604 . 0 0 "[ . 1 . 2]" 2
514 1 68 ARG H 1 70 THR H . . 4.530 4.449 4.332 4.531 0.001 1 0 "[ . 1 . 2]" 2
515 1 66 CYS H 1 70 THR H . . 4.710 4.221 3.686 4.709 . 0 0 "[ . 1 . 2]" 2
516 1 70 THR H 1 72 GLN H . . 4.250 4.194 3.998 4.274 0.024 5 0 "[ . 1 . 2]" 2
517 1 71 ARG H 1 72 GLN QB . . 4.780 4.644 4.355 4.811 0.031 5 0 "[ . 1 . 2]" 2
518 1 71 ARG H 1 72 GLN QG . . 4.670 4.298 3.914 4.602 . 0 0 "[ . 1 . 2]" 2
519 1 71 ARG H 1 71 ARG HD2 . . 5.500 4.372 3.209 4.932 . 0 0 "[ . 1 . 2]" 2
520 1 71 ARG H 1 71 ARG HD3 . . 5.500 4.433 3.408 4.898 . 0 0 "[ . 1 . 2]" 2
521 1 69 CYS HA 1 71 ARG H . . 4.410 4.271 3.911 4.494 0.084 12 0 "[ . 1 . 2]" 2
522 1 71 ARG H 1 73 MET H . . 4.710 4.632 4.199 4.722 0.012 16 0 "[ . 1 . 2]" 2
523 1 69 CYS H 1 71 ARG H . . 4.390 4.084 3.861 4.349 . 0 0 "[ . 1 . 2]" 2
524 1 70 THR MG 1 72 GLN H . . 5.500 4.968 4.755 5.175 . 0 0 "[ . 1 . 2]" 2
525 1 72 GLN H 1 73 MET HG3 . . 4.600 4.524 4.380 4.621 0.021 4 0 "[ . 1 . 2]" 2
526 1 71 ARG HD2 1 72 GLN H . . 5.500 4.440 2.959 5.502 0.002 5 0 "[ . 1 . 2]" 2
527 1 71 ARG HD3 1 72 GLN H . . 5.500 4.360 2.719 5.503 0.003 5 0 "[ . 1 . 2]" 2
528 1 72 GLN H 1 74 LYS H . . 3.940 3.896 3.828 3.947 0.007 3 0 "[ . 1 . 2]" 2
529 1 69 CYS H 1 72 GLN H . . 4.990 4.806 4.597 4.945 . 0 0 "[ . 1 . 2]" 2
530 1 73 MET H 1 73 MET HG2 . . 3.460 3.091 2.745 3.303 . 0 0 "[ . 1 . 2]" 2
531 1 73 MET HG2 1 74 LYS H . . 5.210 4.916 4.759 5.045 . 0 0 "[ . 1 . 2]" 2
532 1 73 MET HG3 1 74 LYS H . . 4.390 4.335 4.224 4.393 0.003 8 0 "[ . 1 . 2]" 2
533 1 72 GLN QB 1 74 LYS H . . 4.710 4.373 4.256 4.560 . 0 0 "[ . 1 . 2]" 2
534 1 75 ARG H 1 75 ARG QD . . 4.790 3.973 3.641 4.305 . 0 0 "[ . 1 . 2]" 2
535 1 76 MET H 1 77 ALA MB . . 5.210 4.326 3.846 4.695 . 0 0 "[ . 1 . 2]" 2
536 1 75 ARG HG3 1 76 MET H . . 4.670 2.585 1.899 4.348 . 0 0 "[ . 1 . 2]" 2
537 1 75 ARG HG2 1 76 MET H . . 4.670 3.311 2.349 4.694 0.024 17 0 "[ . 1 . 2]" 2
538 1 75 ARG QB 1 77 ALA H . . 4.590 4.144 2.681 4.597 0.007 20 0 "[ . 1 . 2]" 2
539 1 76 MET QG 1 77 ALA H . . 4.890 4.292 1.841 4.756 . 0 0 "[ . 1 . 2]" 2
540 1 79 LYS H 1 79 LYS QG . . 4.560 3.090 1.911 4.312 . 0 0 "[ . 1 . 2]" 2
541 1 79 LYS H 1 79 LYS QB . . 3.780 2.572 2.166 3.324 . 0 0 "[ . 1 . 2]" 2
542 1 78 GLN H 1 79 LYS H . . 4.590 4.223 2.699 4.599 0.009 17 0 "[ . 1 . 2]" 2
543 1 84 GLY H 1 85 PRO QG . . 5.500 4.720 3.918 5.487 . 0 0 "[ . 1 . 2]" 2
544 1 83 SER QB 1 84 GLY H . . 5.500 3.105 2.190 4.066 . 0 0 "[ . 1 . 2]" 2
545 1 52 VAL HA 1 64 TRP HE1 . . 4.500 4.257 4.043 4.502 0.002 12 0 "[ . 1 . 2]" 2
546 1 45 GLN HA 1 64 TRP HE1 . . 5.500 5.464 5.298 5.519 0.019 3 0 "[ . 1 . 2]" 2
547 1 64 TRP HE1 1 65 TYR H . . 4.920 4.746 4.407 4.960 0.040 3 0 "[ . 1 . 2]" 2
548 1 20 VAL MG1 1 41 ASN HD21 . . 4.600 3.121 2.897 3.380 . 0 0 "[ . 1 . 2]" 2
549 1 20 VAL MG2 1 41 ASN HD21 . . 4.300 2.973 2.671 3.344 . 0 0 "[ . 1 . 2]" 2
550 1 27 VAL HB 1 32 GLN HE21 . . 5.500 4.383 1.903 5.387 . 0 0 "[ . 1 . 2]" 2
551 1 54 ASP QB 1 58 ASN HD22 . . 4.060 2.845 1.889 4.008 . 0 0 "[ . 1 . 2]" 2
552 1 27 VAL HB 1 32 GLN HE22 . . 5.500 4.427 2.710 5.430 . 0 0 "[ . 1 . 2]" 2
553 1 58 ASN HA 1 58 ASN HD22 . . 5.370 4.067 3.499 4.684 . 0 0 "[ . 1 . 2]" 2
554 1 45 GLN H 1 45 GLN QE . . 4.790 4.443 4.237 4.697 . 0 0 "[ . 1 . 2]" 2
555 1 45 GLN H 1 45 GLN HB2 . . 3.650 2.464 2.332 2.598 . 0 0 "[ . 1 . 2]" 2
556 1 48 HIS HE1 1 64 TRP HE1 . . 5.300 4.666 4.528 4.889 . 0 0 "[ . 1 . 2]" 2
557 1 61 ARG HB3 1 61 ARG QD . . 3.430 2.520 2.134 3.367 . 0 0 "[ . 1 . 2]" 2
558 1 75 ARG QB 1 75 ARG QD . . 2.800 2.148 2.009 2.371 . 0 0 "[ . 1 . 2]" 2
559 1 61 ARG HB2 1 61 ARG QD . . 3.430 2.827 2.081 3.429 . 0 0 "[ . 1 . 2]" 2
560 1 23 ARG HA 1 23 ARG QD . . 4.220 3.896 2.414 4.217 . 0 0 "[ . 1 . 2]" 2
561 1 23 ARG HB2 1 23 ARG QD . . 3.250 2.400 2.174 3.221 . 0 0 "[ . 1 . 2]" 2
562 1 23 ARG HB3 1 23 ARG QD . . 3.250 2.711 2.079 3.367 0.117 4 0 "[ . 1 . 2]" 2
563 1 17 LEU H 1 17 LEU HB2 . . 3.750 3.717 3.614 3.753 0.003 15 0 "[ . 1 . 2]" 2
564 1 17 LEU HB2 1 17 LEU MD1 . . 3.230 2.055 1.974 2.199 . 0 0 "[ . 1 . 2]" 2
565 1 17 LEU HB2 1 17 LEU MD2 . . 3.230 2.920 2.470 3.141 . 0 0 "[ . 1 . 2]" 2
566 1 17 LEU H 1 17 LEU HB3 . . 3.660 3.129 2.925 3.322 . 0 0 "[ . 1 . 2]" 2
567 1 17 LEU HB3 1 17 LEU MD1 . . 3.090 2.838 2.581 3.158 0.068 18 0 "[ . 1 . 2]" 2
568 1 55 LYS QE 1 55 LYS QG . . 3.340 2.177 2.042 2.444 . 0 0 "[ . 1 . 2]" 2
569 1 74 LYS QE 1 74 LYS HG2 . . 3.580 2.482 2.129 3.512 . 0 0 "[ . 1 . 2]" 2
570 1 74 LYS QE 1 74 LYS HG3 . . 3.580 2.695 2.161 3.280 . 0 0 "[ . 1 . 2]" 2
571 1 70 THR MG 1 74 LYS QE . . 3.930 3.023 2.008 4.034 0.104 12 0 "[ . 1 . 2]" 2
572 1 59 ASP H 1 59 ASP HB3 . . 3.680 3.118 2.564 3.601 . 0 0 "[ . 1 . 2]" 2
573 1 46 ASP H 1 46 ASP HB2 . . 3.650 2.934 2.454 3.594 . 0 0 "[ . 1 . 2]" 2
574 1 46 ASP H 1 46 ASP HB3 . . 3.650 2.564 2.249 3.148 . 0 0 "[ . 1 . 2]" 2
575 1 54 ASP H 1 54 ASP QB . . 3.420 2.484 2.152 2.831 . 0 0 "[ . 1 . 2]" 2
576 1 58 ASN HB2 1 59 ASP H . . 4.290 2.657 2.372 2.918 . 0 0 "[ . 1 . 2]" 2
577 1 26 THR HB 1 27 VAL H . . 4.200 4.182 4.021 4.237 0.037 2 0 "[ . 1 . 2]" 2
578 1 67 ALA HA 1 70 THR HB . . 3.220 2.064 1.955 2.252 . 0 0 "[ . 1 . 2]" 2
579 1 46 ASP HA 1 51 GLN HG3 . . 4.630 4.515 4.301 4.638 0.008 15 0 "[ . 1 . 2]" 2
580 1 24 GLN QB 1 24 GLN QG . . 2.400 2.050 1.998 2.086 . 0 0 "[ . 1 . 2]" 2
581 1 34 VAL HB 1 43 TYR H . . 4.160 3.292 3.237 3.360 . 0 0 "[ . 1 . 2]" 2
582 1 69 CYS HA 1 72 GLN QB . . 3.320 2.631 2.086 2.953 . 0 0 "[ . 1 . 2]" 2
583 1 74 LYS QB 1 75 ARG H . . 3.760 3.024 2.441 3.722 . 0 0 "[ . 1 . 2]" 2
584 1 74 LYS QB 1 74 LYS QD . . 2.750 2.209 2.011 2.446 . 0 0 "[ . 1 . 2]" 2
585 1 20 VAL HA 1 20 VAL MG1 . . 3.170 3.159 3.147 3.165 . 0 0 "[ . 1 . 2]" 2
586 1 13 MET HA 1 13 MET QG . . 3.420 2.547 2.133 3.243 . 0 0 "[ . 1 . 2]" 2
587 1 57 VAL HB 1 58 ASN H . . 4.170 3.724 2.658 4.060 . 0 0 "[ . 1 . 2]" 2
588 1 25 MET HA 1 25 MET QG . . 3.640 2.482 2.384 2.608 . 0 0 "[ . 1 . 2]" 2
589 1 18 ALA HA 1 25 MET QG . . 3.560 2.698 2.436 3.035 . 0 0 "[ . 1 . 2]" 2
590 1 53 THR HA 1 54 ASP H . . 3.370 2.509 2.353 2.645 . 0 0 "[ . 1 . 2]" 2
591 1 74 LYS QD 1 74 LYS HG2 . . 2.550 2.359 2.149 2.480 . 0 0 "[ . 1 . 2]" 2
592 1 74 LYS QD 1 74 LYS HG3 . . 2.550 2.308 2.154 2.493 . 0 0 "[ . 1 . 2]" 2
593 1 34 VAL HA 1 34 VAL MG2 . . 3.270 2.452 2.353 2.566 . 0 0 "[ . 1 . 2]" 2
594 1 34 VAL HA 1 34 VAL MG1 . . 3.270 2.185 2.114 2.290 . 0 0 "[ . 1 . 2]" 2
595 1 68 ARG HA 1 68 ARG HG2 . . 3.490 2.472 2.149 2.693 . 0 0 "[ . 1 . 2]" 2
596 1 42 LEU H 1 42 LEU HG . . 3.390 2.741 2.612 3.164 . 0 0 "[ . 1 . 2]" 2
597 1 61 ARG HA 1 61 ARG QG . . 3.530 2.932 2.412 3.398 . 0 0 "[ . 1 . 2]" 2
598 1 60 PRO HG2 1 61 ARG QG . . 2.900 2.501 2.161 3.007 0.107 14 0 "[ . 1 . 2]" 2
599 1 60 PRO HD2 1 61 ARG QG . . 4.050 3.706 3.130 4.046 . 0 0 "[ . 1 . 2]" 2
600 1 56 GLU HA 1 56 GLU HG2 . . 3.570 2.651 2.173 3.161 . 0 0 "[ . 1 . 2]" 2
601 1 56 GLU HA 1 56 GLU HG3 . . 3.570 3.370 2.851 3.645 0.075 11 0 "[ . 1 . 2]" 2
602 1 55 LYS HA 1 55 LYS QG . . 3.470 2.607 2.113 3.431 . 0 0 "[ . 1 . 2]" 2
603 1 73 MET HA 1 73 MET HG3 . . 3.560 3.235 3.054 3.433 . 0 0 "[ . 1 . 2]" 2
604 1 74 LYS HA 1 74 LYS QD . . 4.280 3.025 1.958 4.299 0.019 3 0 "[ . 1 . 2]" 2
605 1 74 LYS HA 1 74 LYS HG3 . . 3.880 3.324 2.529 3.745 . 0 0 "[ . 1 . 2]" 2
606 1 72 GLN HA 1 72 GLN QG . . 3.460 2.647 2.256 3.026 . 0 0 "[ . 1 . 2]" 2
607 1 42 LEU HB3 1 42 LEU MD1 . . 3.240 2.302 2.230 2.382 . 0 0 "[ . 1 . 2]" 2
608 1 33 LEU MD2 1 42 LEU MD1 . . 4.010 3.181 2.778 3.390 . 0 0 "[ . 1 . 2]" 2
609 1 25 MET HA 1 33 LEU MD1 . . 3.720 2.381 2.296 2.468 . 0 0 "[ . 1 . 2]" 2
610 1 33 LEU HB2 1 33 LEU MD1 . . 3.120 2.180 2.014 2.291 . 0 0 "[ . 1 . 2]" 2
611 1 27 VAL MG1 1 33 LEU MD1 . . 2.990 2.197 1.883 2.549 . 0 0 "[ . 1 . 2]" 2
612 1 33 LEU HB3 1 33 LEU MD1 . . 2.980 2.535 2.438 2.664 . 0 0 "[ . 1 . 2]" 2
613 1 75 ARG HA 1 75 ARG HG3 . . 3.910 3.670 3.310 3.836 . 0 0 "[ . 1 . 2]" 2
614 1 45 GLN QE 1 54 ASP HA . . 3.480 2.317 1.882 3.377 . 0 0 "[ . 1 . 2]" 2
615 1 15 MET QB 1 17 LEU MD1 . . 3.910 3.806 3.635 3.929 0.019 1 0 "[ . 1 . 2]" 2
616 1 79 LYS HA 1 80 ASN H . . 3.130 2.411 2.148 3.022 . 0 0 "[ . 1 . 2]" 2
617 1 14 GLU HA 1 14 GLU QG . . 3.580 2.630 2.258 2.924 . 0 0 "[ . 1 . 2]" 2
618 1 62 LEU HA 1 62 LEU MD2 . . 4.030 3.969 3.689 4.037 0.007 10 0 "[ . 1 . 2]" 2
619 1 78 GLN HA 1 78 GLN QG . . 3.640 2.964 2.236 3.466 . 0 0 "[ . 1 . 2]" 2
620 1 62 LEU HA 1 62 LEU MD1 . . 4.030 2.602 2.194 3.578 . 0 0 "[ . 1 . 2]" 2
621 1 42 LEU MD2 1 43 TYR H . . 3.410 3.350 3.130 3.458 0.048 14 0 "[ . 1 . 2]" 2
622 1 35 GLU H 1 42 LEU MD2 . . 4.070 4.009 3.834 4.088 0.018 14 0 "[ . 1 . 2]" 2
623 1 42 LEU HA 1 42 LEU MD2 . . 3.160 2.008 1.930 2.110 . 0 0 "[ . 1 . 2]" 2
624 1 35 GLU QG 1 42 LEU MD2 . . 3.070 2.615 2.234 2.959 . 0 0 "[ . 1 . 2]" 2
625 1 42 LEU HB3 1 42 LEU MD2 . . 3.170 2.359 2.314 2.390 . 0 0 "[ . 1 . 2]" 2
626 1 27 VAL HB 1 32 GLN HA . . 3.490 2.221 1.958 2.445 . 0 0 "[ . 1 . 2]" 2
627 1 21 VAL H 1 21 VAL MG2 . . 3.240 2.325 2.244 2.393 . 0 0 "[ . 1 . 2]" 2
628 1 21 VAL MG2 1 43 TYR QE . . 3.330 2.462 2.327 2.623 . 0 0 "[ . 1 . 2]" 2
629 1 21 VAL HA 1 21 VAL MG2 . . 2.990 2.327 2.301 2.357 . 0 0 "[ . 1 . 2]" 2
630 1 21 VAL MG2 1 47 CYS HB3 . . 3.280 1.989 1.934 2.058 . 0 0 "[ . 1 . 2]" 2
631 1 20 VAL MG1 1 21 VAL MG2 . . 3.290 2.683 2.587 2.757 . 0 0 "[ . 1 . 2]" 2
632 1 27 VAL MG1 1 44 HIS HD2 . . 3.960 2.325 2.054 2.629 . 0 0 "[ . 1 . 2]" 2
633 1 27 VAL HA 1 27 VAL MG1 . . 3.310 2.266 2.131 2.353 . 0 0 "[ . 1 . 2]" 2
634 1 27 VAL MG1 1 32 GLN HA . . 3.560 2.440 2.228 2.754 . 0 0 "[ . 1 . 2]" 2
635 1 27 VAL MG1 1 33 LEU HB2 . . 3.790 2.952 2.605 3.125 . 0 0 "[ . 1 . 2]" 2
636 1 27 VAL MG1 1 33 LEU HG . . 3.350 2.250 1.977 2.326 . 0 0 "[ . 1 . 2]" 2
637 1 17 LEU HA 1 17 LEU MD2 . . 4.190 3.742 3.429 4.094 . 0 0 "[ . 1 . 2]" 2
638 1 17 LEU HB3 1 17 LEU MD2 . . 3.090 2.143 1.971 2.256 . 0 0 "[ . 1 . 2]" 2
639 1 17 LEU HA 1 42 LEU MD1 . . 3.080 2.012 1.818 2.422 . 0 0 "[ . 1 . 2]" 2
640 1 21 VAL MG2 1 43 TYR QD . . 3.360 2.280 2.163 2.372 . 0 0 "[ . 1 . 2]" 2
641 1 26 THR HA 1 26 THR MG . . 3.160 2.409 2.231 3.196 0.036 19 0 "[ . 1 . 2]" 2
642 1 33 LEU MD2 1 44 HIS H . . 3.730 2.946 2.900 3.021 . 0 0 "[ . 1 . 2]" 2
643 1 33 LEU MD2 1 43 TYR H . . 4.210 3.469 3.329 3.622 . 0 0 "[ . 1 . 2]" 2
644 1 19 CYS H 1 33 LEU MD2 . . 3.690 2.213 1.936 2.439 . 0 0 "[ . 1 . 2]" 2
645 1 33 LEU MD2 1 44 HIS HA . . 3.570 2.170 1.971 2.447 . 0 0 "[ . 1 . 2]" 2
646 1 33 LEU HA 1 33 LEU MD2 . . 3.320 2.383 2.095 2.565 . 0 0 "[ . 1 . 2]" 2
647 1 19 CYS HA 1 33 LEU MD2 . . 3.800 2.819 2.740 2.924 . 0 0 "[ . 1 . 2]" 2
648 1 19 CYS HB2 1 33 LEU MD2 . . 3.830 2.937 2.837 3.051 . 0 0 "[ . 1 . 2]" 2
649 1 19 CYS HB3 1 33 LEU MD2 . . 3.830 1.914 1.857 1.991 . 0 0 "[ . 1 . 2]" 2
650 1 33 LEU HB2 1 33 LEU MD2 . . 3.340 3.151 3.129 3.181 . 0 0 "[ . 1 . 2]" 2
651 1 27 VAL MG1 1 33 LEU MD2 . . 3.620 3.504 3.361 3.562 . 0 0 "[ . 1 . 2]" 2
652 1 33 LEU HB3 1 33 LEU MD2 . . 3.210 2.133 2.049 2.290 . 0 0 "[ . 1 . 2]" 2
653 1 33 LEU MD2 1 42 LEU HB3 . . 3.600 2.460 2.163 2.570 . 0 0 "[ . 1 . 2]" 2
654 1 28 ALA MB 1 31 ASN HB2 . . 4.390 2.745 2.191 3.577 . 0 0 "[ . 1 . 2]" 2
655 1 52 VAL HA 1 53 THR MG . . 3.760 3.616 3.462 3.756 . 0 0 "[ . 1 . 2]" 2
656 1 53 THR H 1 53 THR MG . . 3.030 2.622 2.412 2.827 . 0 0 "[ . 1 . 2]" 2
657 1 53 THR HA 1 53 THR MG . . 3.050 2.379 2.306 2.438 . 0 0 "[ . 1 . 2]" 2
658 1 45 GLN QE 1 57 VAL MG1 . . 3.950 2.330 1.721 3.712 . 0 0 "[ . 1 . 2]" 2
659 1 45 GLN QE 1 57 VAL MG2 . . 3.950 2.220 1.703 3.718 . 0 0 "[ . 1 . 2]" 2
660 1 18 ALA MB 1 19 CYS H . . 3.230 2.831 2.678 2.969 . 0 0 "[ . 1 . 2]" 2
661 1 18 ALA MB 1 23 ARG HA . . 3.260 2.892 2.631 3.208 . 0 0 "[ . 1 . 2]" 2
662 1 18 ALA MB 1 25 MET QG . . 3.180 1.963 1.745 2.173 . 0 0 "[ . 1 . 2]" 2
663 1 52 VAL HA 1 52 VAL MG1 . . 3.150 2.323 2.227 2.407 . 0 0 "[ . 1 . 2]" 2
664 1 52 VAL MG1 1 56 GLU HB2 . . 3.390 2.652 2.381 3.011 . 0 0 "[ . 1 . 2]" 2
665 1 52 VAL MG1 1 56 GLU HB3 . . 3.390 3.130 2.776 3.405 0.015 11 0 "[ . 1 . 2]" 2
666 1 34 VAL MG2 1 52 VAL MG1 . . 3.130 2.074 1.909 2.265 . 0 0 "[ . 1 . 2]" 2
667 1 34 VAL MG1 1 52 VAL MG1 . . 3.130 3.011 2.865 3.103 . 0 0 "[ . 1 . 2]" 2
668 1 20 VAL MG1 1 21 VAL H . . 3.360 2.401 2.275 2.641 . 0 0 "[ . 1 . 2]" 2
669 1 70 THR HA 1 70 THR MG . . 3.170 2.359 2.250 2.451 . 0 0 "[ . 1 . 2]" 2
670 1 52 VAL H 1 52 VAL MG2 . . 3.080 2.245 1.916 2.488 . 0 0 "[ . 1 . 2]" 2
671 1 45 GLN HA 1 52 VAL MG2 . . 3.350 2.449 1.995 2.800 . 0 0 "[ . 1 . 2]" 2
672 1 48 HIS QB 1 52 VAL MG2 . . 3.250 2.635 2.502 2.805 . 0 0 "[ . 1 . 2]" 2
673 1 34 VAL MG1 1 52 VAL MG2 . . 3.660 3.538 3.301 3.684 0.024 3 0 "[ . 1 . 2]" 2
674 1 63 VAL MG2 1 64 TRP H . . 4.350 3.661 2.844 4.355 0.005 11 0 "[ . 1 . 2]" 2
675 1 63 VAL MG2 1 65 TYR QE . . 5.000 3.329 2.030 4.491 . 0 0 "[ . 1 . 2]" 2
676 1 63 VAL HA 1 63 VAL MG2 . . 3.300 2.400 2.248 3.095 . 0 0 "[ . 1 . 2]" 2
677 1 34 VAL MG1 1 64 TRP HE3 . . 5.110 2.568 2.468 2.825 . 0 0 "[ . 1 . 2]" 2
678 1 52 VAL MG2 1 64 TRP HZ2 . . 3.270 2.198 1.940 2.348 . 0 0 "[ . 1 . 2]" 2
679 1 52 VAL HA 1 52 VAL MG2 . . 3.210 2.368 2.259 2.516 . 0 0 "[ . 1 . 2]" 2
680 1 21 VAL MG1 1 22 CYS H . . 3.640 2.707 2.671 2.769 . 0 0 "[ . 1 . 2]" 2
681 1 21 VAL HA 1 21 VAL MG1 . . 3.000 2.458 2.436 2.474 . 0 0 "[ . 1 . 2]" 2
682 1 21 VAL MG1 1 47 CYS HB3 . . 3.260 1.973 1.960 2.008 . 0 0 "[ . 1 . 2]" 2
683 1 21 VAL MG1 1 47 CYS HB2 . . 3.560 3.544 3.510 3.564 0.004 19 0 "[ . 1 . 2]" 2
684 1 63 VAL HA 1 63 VAL MG1 . . 3.300 2.728 1.976 3.200 . 0 0 "[ . 1 . 2]" 2
685 1 20 VAL H 1 20 VAL MG2 . . 3.750 3.689 3.643 3.719 . 0 0 "[ . 1 . 2]" 2
686 1 20 VAL HA 1 20 VAL MG2 . . 3.050 2.527 2.485 2.594 . 0 0 "[ . 1 . 2]" 2
687 1 20 VAL MG2 1 21 VAL MG2 . . 3.580 3.542 3.439 3.612 0.032 5 0 "[ . 1 . 2]" 2
688 1 34 VAL H 1 34 VAL MG2 . . 4.090 2.749 2.337 2.917 . 0 0 "[ . 1 . 2]" 2
689 1 34 VAL MG2 1 52 VAL MG2 . . 3.660 2.736 2.455 3.013 . 0 0 "[ . 1 . 2]" 2
690 1 8 ALA H 1 8 ALA MB . . 3.250 2.533 2.037 2.854 . 0 0 "[ . 1 . 2]" 2
691 1 59 ASP HA 1 60 PRO HD3 . . 3.140 2.427 2.331 2.500 . 0 0 "[ . 1 . 2]" 2
692 1 59 ASP HA 1 60 PRO HD2 . . 3.090 1.926 1.912 1.971 . 0 0 "[ . 1 . 2]" 2
693 1 12 ALA H 1 12 ALA MB . . 3.040 2.212 2.032 2.957 . 0 0 "[ . 1 . 2]" 2
694 1 27 VAL HA 1 27 VAL MG2 . . 3.610 3.188 3.175 3.199 . 0 0 "[ . 1 . 2]" 2
695 1 26 THR HA 1 27 VAL MG2 . . 3.920 3.477 3.351 3.630 . 0 0 "[ . 1 . 2]" 2
696 1 27 VAL MG2 1 33 LEU MD1 . . 4.230 3.606 3.249 3.904 . 0 0 "[ . 1 . 2]" 2
697 1 77 ALA H 1 77 ALA MB . . 3.180 2.389 2.054 2.769 . 0 0 "[ . 1 . 2]" 2
698 1 50 PRO HD2 1 67 ALA MB . . 4.430 3.812 3.602 4.044 . 0 0 "[ . 1 . 2]" 2
699 1 84 GLY QA 1 85 PRO QD . . 3.140 1.980 1.849 2.312 . 0 0 "[ . 1 . 2]" 2
700 1 18 ALA HA 1 25 MET HA . . 3.730 2.647 2.430 2.882 . 0 0 "[ . 1 . 2]" 2
701 1 65 TYR QD 1 73 MET ME . . 3.800 2.747 2.572 3.104 . 0 0 "[ . 1 . 2]" 2
702 1 65 TYR QE 1 73 MET ME . . 3.760 2.699 2.353 3.108 . 0 0 "[ . 1 . 2]" 2
703 1 70 THR HA 1 73 MET ME . . 3.910 3.467 3.058 3.942 0.032 16 0 "[ . 1 . 2]" 2
704 1 38 GLU HB2 1 73 MET ME . . 3.620 2.566 1.905 3.071 . 0 0 "[ . 1 . 2]" 2
705 1 73 MET ME 1 73 MET HG3 . . 3.860 2.172 1.986 2.329 . 0 0 "[ . 1 . 2]" 2
706 1 73 MET ME 1 73 MET HG2 . . 3.210 2.964 2.765 3.183 . 0 0 "[ . 1 . 2]" 2
707 1 6 SER HA 1 7 GLY QA . . 4.340 4.046 3.889 4.334 . 0 0 "[ . 1 . 2]" 2
708 1 8 ALA MB 1 9 ASP HB2 . . 5.500 4.819 3.977 5.469 . 0 0 "[ . 1 . 2]" 2
709 1 8 ALA MB 1 9 ASP HB3 . . 5.500 4.947 3.527 5.496 . 0 0 "[ . 1 . 2]" 2
710 1 12 ALA HA 1 17 LEU HG . . 5.330 4.973 4.426 5.329 . 0 0 "[ . 1 . 2]" 2
711 1 12 ALA HA 1 15 MET QB . . 4.520 3.386 2.280 4.523 0.003 12 0 "[ . 1 . 2]" 2
712 1 12 ALA MB 1 13 MET QB . . 5.060 4.294 3.828 4.624 . 0 0 "[ . 1 . 2]" 2
713 1 12 ALA MB 1 15 MET QB . . 5.330 4.126 3.108 5.089 . 0 0 "[ . 1 . 2]" 2
714 1 8 ALA MB 1 9 ASP HA . . 4.880 4.113 3.647 4.558 . 0 0 "[ . 1 . 2]" 2
715 1 11 PHE HA 1 12 ALA MB . . 5.340 4.347 3.991 4.915 . 0 0 "[ . 1 . 2]" 2
716 1 76 MET H 1 76 MET QG . . 4.100 2.914 2.026 4.148 0.048 2 0 "[ . 1 . 2]" 2
717 1 14 GLU H 1 14 GLU QG . . 4.070 3.342 1.886 4.061 . 0 0 "[ . 1 . 2]" 2
718 1 14 GLU QB 1 15 MET HA . . 4.190 3.970 3.722 4.199 0.009 12 0 "[ . 1 . 2]" 2
719 1 73 MET HA 1 73 MET HG2 . . 3.270 2.444 2.391 2.518 . 0 0 "[ . 1 . 2]" 2
720 1 17 LEU HB2 1 18 ALA H . . 4.490 4.391 4.292 4.463 . 0 0 "[ . 1 . 2]" 2
721 1 17 LEU HB3 1 18 ALA H . . 4.820 4.556 4.482 4.598 . 0 0 "[ . 1 . 2]" 2
722 1 15 MET QB 1 17 LEU HB3 . . 4.150 3.427 3.064 3.734 . 0 0 "[ . 1 . 2]" 2
723 1 15 MET QB 1 17 LEU HB2 . . 5.020 4.756 4.404 5.023 0.003 8 0 "[ . 1 . 2]" 2
724 1 17 LEU HA 1 17 LEU HG . . 3.760 3.697 3.677 3.713 . 0 0 "[ . 1 . 2]" 2
725 1 17 LEU HA 1 17 LEU MD1 . . 4.190 3.904 3.583 4.117 . 0 0 "[ . 1 . 2]" 2
726 1 17 LEU MD1 1 18 ALA H . . 5.020 4.455 3.296 5.005 . 0 0 "[ . 1 . 2]" 2
727 1 15 MET QB 1 17 LEU MD2 . . 3.910 1.839 1.696 2.008 . 0 0 "[ . 1 . 2]" 2
728 1 19 CYS HA 1 42 LEU MD1 . . 3.890 3.308 3.196 3.403 . 0 0 "[ . 1 . 2]" 2
729 1 19 CYS HB2 1 20 VAL H . . 4.590 2.322 2.283 2.361 . 0 0 "[ . 1 . 2]" 2
730 1 20 VAL HA 1 23 ARG H . . 5.170 3.924 3.768 4.006 . 0 0 "[ . 1 . 2]" 2
731 1 20 VAL HA 1 22 CYS H . . 5.500 5.314 5.274 5.344 . 0 0 "[ . 1 . 2]" 2
732 1 20 VAL MG1 1 41 ASN HB2 . . 3.660 3.266 2.030 3.462 . 0 0 "[ . 1 . 2]" 2
733 1 20 VAL MG1 1 41 ASN HA . . 4.220 4.171 4.070 4.255 0.035 16 0 "[ . 1 . 2]" 2
734 1 20 VAL MG1 1 43 TYR QD . . 3.990 2.947 2.849 2.985 . 0 0 "[ . 1 . 2]" 2
735 1 20 VAL MG1 1 41 ASN HD22 . . 4.600 4.410 3.554 4.587 . 0 0 "[ . 1 . 2]" 2
736 1 20 VAL MG2 1 43 TYR QD . . 5.020 4.849 4.735 4.872 . 0 0 "[ . 1 . 2]" 2
737 1 20 VAL MG2 1 41 ASN HD22 . . 4.300 3.922 3.740 4.347 0.047 16 0 "[ . 1 . 2]" 2
738 1 20 VAL MG2 1 42 LEU H . . 5.300 5.112 4.740 5.322 0.022 2 0 "[ . 1 . 2]" 2
739 1 20 VAL MG2 1 21 VAL HA . . 4.200 3.341 3.284 3.383 . 0 0 "[ . 1 . 2]" 2
740 1 20 VAL MG1 1 21 VAL HA . . 4.240 3.844 3.768 3.992 . 0 0 "[ . 1 . 2]" 2
741 1 21 VAL HA 1 47 CYS HB3 . . 4.590 4.494 4.480 4.549 . 0 0 "[ . 1 . 2]" 2
742 1 21 VAL HB 1 47 CYS HB3 . . 3.610 2.044 2.004 2.088 . 0 0 "[ . 1 . 2]" 2
743 1 21 VAL HB 1 47 CYS HA . . 5.230 4.377 4.345 4.404 . 0 0 "[ . 1 . 2]" 2
744 1 21 VAL HB 1 23 ARG H . . 3.970 3.834 3.814 3.851 . 0 0 "[ . 1 . 2]" 2
745 1 21 VAL HB 1 47 CYS HB2 . . 3.590 3.071 3.043 3.129 . 0 0 "[ . 1 . 2]" 2
746 1 21 VAL MG2 1 22 CYS H . . 3.780 3.574 3.550 3.597 . 0 0 "[ . 1 . 2]" 2
747 1 21 VAL MG2 1 44 HIS H . . 4.350 3.362 3.258 3.444 . 0 0 "[ . 1 . 2]" 2
748 1 20 VAL MG2 1 21 VAL MG1 . . 5.110 4.885 4.825 4.935 . 0 0 "[ . 1 . 2]" 2
749 1 21 VAL MG1 1 22 CYS HB2 . . 4.580 4.397 4.358 4.450 . 0 0 "[ . 1 . 2]" 2
750 1 21 VAL MG1 1 47 CYS HA . . 4.400 3.040 2.999 3.089 . 0 0 "[ . 1 . 2]" 2
751 1 21 VAL MG1 1 43 TYR QE . . 5.030 4.626 4.412 4.772 . 0 0 "[ . 1 . 2]" 2
752 1 21 VAL MG1 1 43 TYR QD . . 4.720 4.670 4.523 4.743 0.023 10 0 "[ . 1 . 2]" 2
753 1 21 VAL MG1 1 48 HIS H . . 5.010 4.955 4.888 5.005 . 0 0 "[ . 1 . 2]" 2
754 1 21 VAL MG1 1 23 ARG H . . 4.610 4.417 4.364 4.477 . 0 0 "[ . 1 . 2]" 2
755 1 22 CYS HB3 1 24 GLN QG . . 4.290 4.037 3.935 4.286 . 0 0 "[ . 1 . 2]" 2
756 1 21 VAL MG1 1 22 CYS HB3 . . 4.580 3.092 3.034 3.164 . 0 0 "[ . 1 . 2]" 2
757 1 23 ARG HA 1 23 ARG HG2 . . 3.920 2.780 2.415 3.643 . 0 0 "[ . 1 . 2]" 2
758 1 23 ARG H 1 23 ARG HG3 . . 4.310 3.000 2.677 4.236 . 0 0 "[ . 1 . 2]" 2
759 1 22 CYS HB2 1 24 GLN QG . . 4.290 2.789 2.620 2.989 . 0 0 "[ . 1 . 2]" 2
760 1 24 GLN QG 1 25 MET H . . 4.280 3.980 3.780 4.251 . 0 0 "[ . 1 . 2]" 2
761 1 25 MET H 1 25 MET HB2 . . 3.850 2.658 2.569 2.758 . 0 0 "[ . 1 . 2]" 2
762 1 25 MET QG 1 26 THR H . . 5.460 4.362 4.033 4.617 . 0 0 "[ . 1 . 2]" 2
763 1 25 MET H 1 25 MET QG . . 3.870 2.985 2.522 3.449 . 0 0 "[ . 1 . 2]" 2
764 1 25 MET QG 1 33 LEU MD1 . . 4.750 3.711 3.563 4.011 . 0 0 "[ . 1 . 2]" 2
765 1 26 THR HA 1 27 VAL HA . . 4.570 4.409 4.395 4.473 . 0 0 "[ . 1 . 2]" 2
766 1 26 THR HB 1 27 VAL MG2 . . 5.500 5.472 5.408 5.560 0.060 9 0 "[ . 1 . 2]" 2
767 1 24 GLN QB 1 26 THR HB . . 4.420 3.391 3.244 3.686 . 0 0 "[ . 1 . 2]" 2
768 1 24 GLN QG 1 26 THR HB . . 5.200 5.029 4.653 5.238 0.038 11 0 "[ . 1 . 2]" 2
769 1 25 MET H 1 26 THR HB . . 5.030 4.390 4.055 4.519 . 0 0 "[ . 1 . 2]" 2
770 1 27 VAL HB 1 44 HIS HD2 . . 5.090 4.487 3.705 4.699 . 0 0 "[ . 1 . 2]" 2
771 1 27 VAL HB 1 33 LEU H . . 4.930 4.067 3.942 4.227 . 0 0 "[ . 1 . 2]" 2
772 1 27 VAL HB 1 28 ALA MB . . 5.330 4.337 4.200 4.492 . 0 0 "[ . 1 . 2]" 2
773 1 26 THR HA 1 27 VAL MG1 . . 4.200 3.928 3.723 4.128 . 0 0 "[ . 1 . 2]" 2
774 1 27 VAL MG1 1 32 GLN H . . 5.190 4.698 4.443 4.957 . 0 0 "[ . 1 . 2]" 2
775 1 27 VAL MG2 1 33 LEU MD2 . . 5.500 5.443 5.351 5.518 0.018 8 0 "[ . 1 . 2]" 2
776 1 26 THR MG 1 27 VAL MG2 . . 4.680 4.176 3.945 4.692 0.012 8 0 "[ . 1 . 2]" 2
777 1 27 VAL MG2 1 33 LEU HG . . 5.240 4.586 4.436 4.715 . 0 0 "[ . 1 . 2]" 2
778 1 27 VAL MG2 1 33 LEU HB2 . . 4.820 4.654 4.387 4.815 . 0 0 "[ . 1 . 2]" 2
779 1 27 VAL MG2 1 32 GLN QG . . 4.960 4.422 3.350 4.966 0.006 19 0 "[ . 1 . 2]" 2
780 1 27 VAL MG2 1 32 GLN HE22 . . 4.880 3.887 2.565 4.889 0.009 14 0 "[ . 1 . 2]" 2
781 1 27 VAL MG2 1 44 HIS HD2 . . 5.490 5.095 4.774 5.257 . 0 0 "[ . 1 . 2]" 2
782 1 26 THR H 1 27 VAL MG2 . . 5.500 5.171 5.006 5.587 0.087 9 0 "[ . 1 . 2]" 2
783 1 27 VAL MG2 1 32 GLN HE21 . . 4.880 4.334 3.022 4.946 0.066 9 0 "[ . 1 . 2]" 2
784 1 27 VAL MG2 1 33 LEU H . . 4.480 4.383 3.926 4.500 0.020 4 0 "[ . 1 . 2]" 2
785 1 28 ALA MB 1 31 ASN HD22 . . 5.500 5.280 4.393 5.511 0.011 11 0 "[ . 1 . 2]" 2
786 1 28 ALA MB 1 31 ASN HD21 . . 5.500 4.297 3.158 5.209 . 0 0 "[ . 1 . 2]" 2
787 1 27 VAL H 1 28 ALA MB . . 5.220 4.642 4.237 5.052 . 0 0 "[ . 1 . 2]" 2
788 1 29 SER HA 1 32 GLN QG . . 4.990 3.853 3.547 4.920 . 0 0 "[ . 1 . 2]" 2
789 1 28 ALA MB 1 29 SER HA . . 5.460 4.362 4.207 4.539 . 0 0 "[ . 1 . 2]" 2
790 1 29 SER HA 1 31 ASN H . . 5.460 4.598 3.677 5.462 0.002 13 0 "[ . 1 . 2]" 2
791 1 63 VAL H 1 64 TRP HA . . 5.500 5.007 4.873 5.178 . 0 0 "[ . 1 . 2]" 2
792 1 28 ALA MB 1 29 SER QB . . 4.510 3.784 3.557 4.133 . 0 0 "[ . 1 . 2]" 2
793 1 31 ASN HA 1 45 GLN HB3 . . 4.340 3.585 2.931 3.949 . 0 0 "[ . 1 . 2]" 2
794 1 31 ASN HA 1 45 GLN H . . 5.500 4.796 4.052 5.115 . 0 0 "[ . 1 . 2]" 2
795 1 31 ASN HA 1 46 ASP H . . 5.500 4.366 3.249 5.019 . 0 0 "[ . 1 . 2]" 2
796 1 28 ALA MB 1 31 ASN HB3 . . 4.390 3.381 2.299 4.280 . 0 0 "[ . 1 . 2]" 2
797 1 28 ALA H 1 32 GLN HA . . 5.240 2.928 2.682 3.137 . 0 0 "[ . 1 . 2]" 2
798 1 32 GLN HB2 1 57 VAL MG1 . . 5.080 3.286 2.781 3.773 . 0 0 "[ . 1 . 2]" 2
799 1 32 GLN HB2 1 57 VAL MG2 . . 5.080 3.006 2.422 3.558 . 0 0 "[ . 1 . 2]" 2
800 1 32 GLN HB3 1 57 VAL MG1 . . 5.080 4.047 2.964 4.871 . 0 0 "[ . 1 . 2]" 2
801 1 32 GLN HB3 1 57 VAL MG2 . . 5.080 3.796 2.884 4.230 . 0 0 "[ . 1 . 2]" 2
802 1 27 VAL MG1 1 32 GLN QG . . 5.010 4.320 3.806 4.722 . 0 0 "[ . 1 . 2]" 2
803 1 77 ALA MB 1 78 GLN QG . . 5.140 4.524 3.112 5.081 . 0 0 "[ . 1 . 2]" 2
804 1 32 GLN HA 1 32 GLN QG . . 3.660 2.648 2.329 2.848 . 0 0 "[ . 1 . 2]" 2
805 1 31 ASN H 1 32 GLN QG . . 5.350 3.976 3.401 4.941 . 0 0 "[ . 1 . 2]" 2
806 1 33 LEU HA 1 44 HIS HA . . 4.090 2.117 2.058 2.183 . 0 0 "[ . 1 . 2]" 2
807 1 33 LEU HA 1 44 HIS HB3 . . 5.500 4.569 4.480 4.678 . 0 0 "[ . 1 . 2]" 2
808 1 33 LEU HB2 1 34 VAL H . . 4.510 3.960 3.766 4.327 . 0 0 "[ . 1 . 2]" 2
809 1 33 LEU HB2 1 45 GLN H . . 5.500 5.511 5.460 5.606 0.106 9 0 "[ . 1 . 2]" 2
810 1 33 LEU HG 1 44 HIS HB3 . . 5.270 4.864 4.741 4.980 . 0 0 "[ . 1 . 2]" 2
811 1 33 LEU HG 1 44 HIS HD2 . . 5.090 2.335 2.254 2.423 . 0 0 "[ . 1 . 2]" 2
812 1 33 LEU MD2 1 44 HIS HB3 . . 5.090 3.822 3.680 4.114 . 0 0 "[ . 1 . 2]" 2
813 1 25 MET HA 1 33 LEU MD2 . . 4.490 3.866 3.748 3.971 . 0 0 "[ . 1 . 2]" 2
814 1 18 ALA HA 1 33 LEU MD2 . . 4.190 3.096 2.853 3.317 . 0 0 "[ . 1 . 2]" 2
815 1 33 LEU MD2 1 42 LEU HA . . 5.420 4.052 3.957 4.151 . 0 0 "[ . 1 . 2]" 2
816 1 33 LEU MD2 1 44 HIS HD2 . . 4.080 2.941 2.655 3.255 . 0 0 "[ . 1 . 2]" 2
817 1 33 LEU MD2 1 44 HIS HE1 . . 3.900 3.024 2.802 3.209 . 0 0 "[ . 1 . 2]" 2
818 1 33 LEU H 1 33 LEU MD2 . . 4.370 4.290 4.215 4.367 . 0 0 "[ . 1 . 2]" 2
819 1 24 GLN H 1 33 LEU MD2 . . 5.390 4.500 4.298 4.625 . 0 0 "[ . 1 . 2]" 2
820 1 33 LEU MD2 1 45 GLN H . . 4.470 3.945 3.788 4.120 . 0 0 "[ . 1 . 2]" 2
821 1 18 ALA HA 1 33 LEU MD1 . . 4.230 2.546 2.344 2.791 . 0 0 "[ . 1 . 2]" 2
822 1 33 LEU HA 1 33 LEU MD1 . . 4.130 3.814 3.787 3.827 . 0 0 "[ . 1 . 2]" 2
823 1 33 LEU MD1 1 44 HIS HD2 . . 5.500 3.870 3.746 3.925 . 0 0 "[ . 1 . 2]" 2
824 1 33 LEU MD1 1 34 VAL H . . 5.120 4.561 4.281 4.979 . 0 0 "[ . 1 . 2]" 2
825 1 25 MET H 1 33 LEU MD1 . . 4.860 4.847 4.718 4.909 0.049 16 0 "[ . 1 . 2]" 2
826 1 34 VAL HA 1 35 GLU HB2 . . 4.710 4.404 4.189 4.527 . 0 0 "[ . 1 . 2]" 2
827 1 33 LEU HA 1 34 VAL HA . . 4.780 4.459 4.393 4.533 . 0 0 "[ . 1 . 2]" 2
828 1 34 VAL HB 1 52 VAL MG2 . . 4.470 4.008 3.802 4.247 . 0 0 "[ . 1 . 2]" 2
829 1 34 VAL HB 1 43 TYR HB2 . . 4.990 3.226 3.091 3.420 . 0 0 "[ . 1 . 2]" 2
830 1 33 LEU HA 1 34 VAL HB . . 4.880 4.713 4.611 4.866 . 0 0 "[ . 1 . 2]" 2
831 1 34 VAL HB 1 64 TRP HZ3 . . 5.010 3.842 3.677 4.088 . 0 0 "[ . 1 . 2]" 2
832 1 34 VAL MG2 1 52 VAL HB . . 5.220 3.146 2.919 3.364 . 0 0 "[ . 1 . 2]" 2
833 1 34 VAL MG2 1 45 GLN HG3 . . 4.970 2.403 2.157 2.611 . 0 0 "[ . 1 . 2]" 2
834 1 33 LEU HA 1 34 VAL MG2 . . 5.500 3.255 3.004 3.475 . 0 0 "[ . 1 . 2]" 2
835 1 34 VAL MG2 1 64 TRP HZ2 . . 5.190 3.854 3.574 4.069 . 0 0 "[ . 1 . 2]" 2
836 1 34 VAL MG2 1 64 TRP HH2 . . 5.500 4.541 4.295 4.832 . 0 0 "[ . 1 . 2]" 2
837 1 34 VAL MG2 1 64 TRP HZ3 . . 5.440 5.121 4.968 5.315 . 0 0 "[ . 1 . 2]" 2
838 1 34 VAL MG2 1 64 TRP HE3 . . 5.110 5.105 5.030 5.160 0.050 16 0 "[ . 1 . 2]" 2
839 1 34 VAL MG2 1 35 GLU H . . 4.460 3.950 3.846 4.046 . 0 0 "[ . 1 . 2]" 2
840 1 34 VAL MG2 1 45 GLN H . . 5.500 2.830 2.688 3.025 . 0 0 "[ . 1 . 2]" 2
841 1 34 VAL MG1 1 52 VAL HB . . 5.220 4.915 4.649 5.131 . 0 0 "[ . 1 . 2]" 2
842 1 34 VAL MG1 1 64 TRP HB3 . . 5.490 2.847 2.723 3.000 . 0 0 "[ . 1 . 2]" 2
843 1 33 LEU HA 1 34 VAL MG1 . . 5.500 5.391 5.353 5.426 . 0 0 "[ . 1 . 2]" 2
844 1 34 VAL MG1 1 64 TRP HZ2 . . 5.190 3.903 3.707 4.112 . 0 0 "[ . 1 . 2]" 2
845 1 34 VAL MG1 1 64 TRP HZ3 . . 5.440 3.496 3.332 3.801 . 0 0 "[ . 1 . 2]" 2
846 1 34 VAL MG1 1 45 GLN H . . 5.500 5.512 5.454 5.558 0.058 10 0 "[ . 1 . 2]" 2
847 1 35 GLU QG 1 40 HIS H . . 4.960 4.661 4.485 4.872 . 0 0 "[ . 1 . 2]" 2
848 1 35 GLU H 1 35 GLU QG . . 4.480 4.073 3.990 4.211 . 0 0 "[ . 1 . 2]" 2
849 1 38 GLU HG3 1 39 CYS H . . 4.900 4.214 3.496 4.786 . 0 0 "[ . 1 . 2]" 2
850 1 36 CYS HB3 1 66 CYS HB3 . . 4.440 4.179 3.856 4.430 . 0 0 "[ . 1 . 2]" 2
851 1 36 CYS HB3 1 40 HIS HA . . 4.370 3.029 2.851 3.422 . 0 0 "[ . 1 . 2]" 2
852 1 35 GLU HA 1 36 CYS HB3 . . 4.730 4.646 4.451 4.745 0.015 1 0 "[ . 1 . 2]" 2
853 1 36 CYS HB3 1 64 TRP HZ3 . . 4.410 4.268 3.918 4.446 0.036 11 0 "[ . 1 . 2]" 2
854 1 36 CYS HB3 1 43 TYR QE . . 4.750 4.687 4.455 4.781 0.031 10 0 "[ . 1 . 2]" 2
855 1 36 CYS H 1 36 CYS HB3 . . 3.690 2.515 2.340 2.634 . 0 0 "[ . 1 . 2]" 2
856 1 36 CYS HB2 1 66 CYS HB3 . . 3.960 2.686 2.486 2.867 . 0 0 "[ . 1 . 2]" 2
857 1 36 CYS H 1 36 CYS HB2 . . 3.850 2.584 2.433 2.754 . 0 0 "[ . 1 . 2]" 2
858 1 37 GLN HA 1 37 GLN HG3 . . 3.850 3.731 3.629 3.879 0.029 11 0 "[ . 1 . 2]" 2
859 1 37 GLN HA 1 37 GLN HG2 . . 3.940 3.207 2.964 3.724 . 0 0 "[ . 1 . 2]" 2
860 1 37 GLN HA 1 38 GLU HA . . 4.800 4.686 4.653 4.723 . 0 0 "[ . 1 . 2]" 2
861 1 37 GLN HA 1 37 GLN HE21 . . 4.750 2.540 2.127 3.041 . 0 0 "[ . 1 . 2]" 2
862 1 37 GLN HA 1 37 GLN HE22 . . 4.750 3.201 2.917 3.631 . 0 0 "[ . 1 . 2]" 2
863 1 37 GLN HA 1 40 HIS HE1 . . 4.380 4.073 3.822 4.301 . 0 0 "[ . 1 . 2]" 2
864 1 37 GLN HB3 1 65 TYR QD . . 5.490 5.025 4.857 5.229 . 0 0 "[ . 1 . 2]" 2
865 1 37 GLN HB3 1 64 TRP H . . 5.500 5.266 4.717 5.524 0.024 18 0 "[ . 1 . 2]" 2
866 1 37 GLN HB3 1 38 GLU H . . 4.830 3.874 3.670 4.166 . 0 0 "[ . 1 . 2]" 2
867 1 37 GLN HB2 1 64 TRP H . . 5.060 4.640 4.173 5.037 . 0 0 "[ . 1 . 2]" 2
868 1 37 GLN HG2 1 63 VAL HA . . 5.150 3.255 2.701 3.834 . 0 0 "[ . 1 . 2]" 2
869 1 37 GLN HG3 1 65 TYR QE . . 5.500 4.276 3.992 4.516 . 0 0 "[ . 1 . 2]" 2
870 1 37 GLN H 1 37 GLN HG3 . . 4.300 3.929 3.545 4.147 . 0 0 "[ . 1 . 2]" 2
871 1 38 GLU HB2 1 69 CYS HB3 . . 4.610 3.789 3.370 4.291 . 0 0 "[ . 1 . 2]" 2
872 1 38 GLU HG2 1 65 TYR QD . . 5.400 4.981 4.546 5.382 . 0 0 "[ . 1 . 2]" 2
873 1 38 GLU HG3 1 65 TYR QD . . 5.400 4.973 4.549 5.429 0.029 3 0 "[ . 1 . 2]" 2
874 1 38 GLU H 1 38 GLU HG3 . . 5.090 4.575 4.364 4.648 . 0 0 "[ . 1 . 2]" 2
875 1 35 GLU QG 1 40 HIS QB . . 4.610 3.811 3.564 4.143 . 0 0 "[ . 1 . 2]" 2
876 1 41 ASN H 1 41 ASN HB2 . . 3.810 2.479 2.375 3.567 . 0 0 "[ . 1 . 2]" 2
877 1 20 VAL MG1 1 41 ASN HB3 . . 3.660 2.300 2.175 3.394 . 0 0 "[ . 1 . 2]" 2
878 1 41 ASN HB3 1 42 LEU H . . 4.090 2.804 2.669 3.272 . 0 0 "[ . 1 . 2]" 2
879 1 35 GLU HA 1 42 LEU HA . . 3.820 2.489 2.400 2.584 . 0 0 "[ . 1 . 2]" 2
880 1 42 LEU HB2 1 42 LEU MD1 . . 3.300 2.362 2.269 2.434 . 0 0 "[ . 1 . 2]" 2
881 1 33 LEU MD2 1 42 LEU HB2 . . 4.150 3.791 3.480 3.907 . 0 0 "[ . 1 . 2]" 2
882 1 19 CYS HA 1 42 LEU HB2 . . 4.400 2.045 1.961 2.119 . 0 0 "[ . 1 . 2]" 2
883 1 41 ASN HA 1 42 LEU HB2 . . 4.840 4.558 4.506 4.614 . 0 0 "[ . 1 . 2]" 2
884 1 35 GLU HA 1 42 LEU HB3 . . 4.880 4.781 4.680 4.891 0.011 11 0 "[ . 1 . 2]" 2
885 1 42 LEU HA 1 42 LEU HG . . 4.120 3.068 3.029 3.101 . 0 0 "[ . 1 . 2]" 2
886 1 61 ARG QG 1 62 LEU H . . 4.680 4.286 3.693 4.612 . 0 0 "[ . 1 . 2]" 2
887 1 35 GLU QG 1 42 LEU MD1 . . 5.140 4.766 4.342 5.111 . 0 0 "[ . 1 . 2]" 2
888 1 35 GLU HA 1 42 LEU MD1 . . 5.480 5.165 4.999 5.250 . 0 0 "[ . 1 . 2]" 2
889 1 41 ASN HA 1 42 LEU MD1 . . 5.500 5.215 5.114 5.361 . 0 0 "[ . 1 . 2]" 2
890 1 42 LEU HA 1 42 LEU MD1 . . 4.580 3.829 3.791 3.857 . 0 0 "[ . 1 . 2]" 2
891 1 19 CYS H 1 42 LEU MD1 . . 4.760 3.802 3.560 4.041 . 0 0 "[ . 1 . 2]" 2
892 1 42 LEU H 1 42 LEU MD1 . . 4.970 3.857 3.751 4.160 . 0 0 "[ . 1 . 2]" 2
893 1 42 LEU MD1 1 43 TYR H . . 5.040 4.951 4.859 5.046 0.006 14 0 "[ . 1 . 2]" 2
894 1 33 LEU MD2 1 42 LEU MD2 . . 4.240 3.264 3.085 3.474 . 0 0 "[ . 1 . 2]" 2
895 1 34 VAL HA 1 42 LEU MD2 . . 4.890 4.236 4.077 4.402 . 0 0 "[ . 1 . 2]" 2
896 1 17 LEU HA 1 42 LEU MD2 . . 4.640 3.627 3.409 3.839 . 0 0 "[ . 1 . 2]" 2
897 1 19 CYS H 1 42 LEU MD2 . . 5.500 5.384 5.253 5.563 0.063 16 0 "[ . 1 . 2]" 2
898 1 42 LEU MD2 1 43 TYR QD . . 5.500 5.256 5.059 5.351 . 0 0 "[ . 1 . 2]" 2
899 1 43 TYR HB3 1 48 HIS H . . 4.240 3.921 3.837 4.026 . 0 0 "[ . 1 . 2]" 2
900 1 20 VAL H 1 43 TYR HB3 . . 5.500 5.364 5.317 5.419 . 0 0 "[ . 1 . 2]" 2
901 1 43 TYR HB2 1 44 HIS H . . 4.640 4.469 4.414 4.528 . 0 0 "[ . 1 . 2]" 2
902 1 44 HIS HB3 1 47 CYS HB2 . . 4.370 3.108 3.048 3.204 . 0 0 "[ . 1 . 2]" 2
903 1 44 HIS HB3 1 48 HIS H . . 5.410 4.143 4.100 4.228 . 0 0 "[ . 1 . 2]" 2
904 1 44 HIS HB3 1 46 ASP H . . 4.080 2.422 2.339 2.539 . 0 0 "[ . 1 . 2]" 2
905 1 44 HIS HB2 1 47 CYS HB2 . . 3.970 1.958 1.947 1.971 . 0 0 "[ . 1 . 2]" 2
906 1 44 HIS HB2 1 47 CYS HB3 . . 4.060 3.448 3.419 3.482 . 0 0 "[ . 1 . 2]" 2
907 1 44 HIS HB2 1 46 ASP H . . 4.180 3.867 3.736 3.989 . 0 0 "[ . 1 . 2]" 2
908 1 45 GLN HA 1 52 VAL HB . . 3.620 2.039 1.980 2.182 . 0 0 "[ . 1 . 2]" 2
909 1 45 GLN HA 1 45 GLN HG2 . . 4.000 2.325 2.172 2.521 . 0 0 "[ . 1 . 2]" 2
910 1 45 GLN HA 1 45 GLN HG3 . . 3.740 3.072 2.845 3.256 . 0 0 "[ . 1 . 2]" 2
911 1 44 HIS HB3 1 45 GLN HA . . 5.500 5.074 5.033 5.110 . 0 0 "[ . 1 . 2]" 2
912 1 45 GLN HA 1 52 VAL HA . . 5.500 4.895 4.840 5.061 . 0 0 "[ . 1 . 2]" 2
913 1 44 HIS HA 1 45 GLN HA . . 5.340 4.350 4.339 4.358 . 0 0 "[ . 1 . 2]" 2
914 1 45 GLN HA 1 46 ASP HA . . 5.500 4.632 4.611 4.658 . 0 0 "[ . 1 . 2]" 2
915 1 45 GLN HA 1 64 TRP HZ2 . . 5.500 4.497 4.331 4.608 . 0 0 "[ . 1 . 2]" 2
916 1 45 GLN HA 1 45 GLN QE . . 4.890 4.698 4.136 4.790 . 0 0 "[ . 1 . 2]" 2
917 1 45 GLN HB2 1 52 VAL HB . . 4.730 3.755 3.560 3.954 . 0 0 "[ . 1 . 2]" 2
918 1 31 ASN HA 1 45 GLN HB2 . . 4.340 2.718 2.045 2.934 . 0 0 "[ . 1 . 2]" 2
919 1 45 GLN HB2 1 45 GLN QE . . 4.460 3.498 2.204 4.103 . 0 0 "[ . 1 . 2]" 2
920 1 45 GLN HB3 1 45 GLN QE . . 4.460 3.670 1.870 4.036 . 0 0 "[ . 1 . 2]" 2
921 1 45 GLN HG3 1 52 VAL MG1 . . 4.400 3.468 3.220 3.657 . 0 0 "[ . 1 . 2]" 2
922 1 45 GLN HG3 1 57 VAL MG1 . . 5.260 3.247 2.027 4.999 . 0 0 "[ . 1 . 2]" 2
923 1 45 GLN HG3 1 57 VAL MG2 . . 5.260 3.907 2.718 4.638 . 0 0 "[ . 1 . 2]" 2
924 1 45 GLN HG3 1 52 VAL HB . . 4.180 3.568 3.437 3.667 . 0 0 "[ . 1 . 2]" 2
925 1 31 ASN HA 1 45 GLN HG3 . . 4.810 4.544 4.200 4.781 . 0 0 "[ . 1 . 2]" 2
926 1 31 ASN HD22 1 46 ASP HB3 . . 4.550 3.561 2.245 4.556 0.006 16 0 "[ . 1 . 2]" 2
927 1 31 ASN HD21 1 46 ASP HB3 . . 4.550 3.874 3.051 4.445 . 0 0 "[ . 1 . 2]" 2
928 1 31 ASN HD22 1 46 ASP HB2 . . 4.550 3.146 1.897 4.558 0.008 4 0 "[ . 1 . 2]" 2
929 1 31 ASN HD21 1 46 ASP HB2 . . 4.550 3.533 1.951 4.321 . 0 0 "[ . 1 . 2]" 2
930 1 21 VAL MG2 1 47 CYS HA . . 4.090 3.869 3.807 3.960 . 0 0 "[ . 1 . 2]" 2
931 1 44 HIS HB2 1 47 CYS HA . . 5.180 4.409 4.373 4.437 . 0 0 "[ . 1 . 2]" 2
932 1 21 VAL MG2 1 47 CYS HB2 . . 4.320 2.596 2.505 2.703 . 0 0 "[ . 1 . 2]" 2
933 1 44 HIS HB3 1 47 CYS HB3 . . 5.500 4.669 4.606 4.735 . 0 0 "[ . 1 . 2]" 2
934 1 47 CYS HB3 1 48 HIS HA . . 5.500 4.337 4.277 4.378 . 0 0 "[ . 1 . 2]" 2
935 1 47 CYS HB2 1 48 HIS H . . 4.710 2.693 2.632 2.759 . 0 0 "[ . 1 . 2]" 2
936 1 44 HIS H 1 47 CYS HB3 . . 4.600 3.974 3.862 4.127 . 0 0 "[ . 1 . 2]" 2
937 1 48 HIS HA 1 49 LYS QB . . 4.470 4.306 4.191 4.333 . 0 0 "[ . 1 . 2]" 2
938 1 21 VAL MG2 1 48 HIS HA . . 4.700 3.324 3.272 3.383 . 0 0 "[ . 1 . 2]" 2
939 1 48 HIS HA 1 49 LYS HA . . 5.280 4.301 4.298 4.309 . 0 0 "[ . 1 . 2]" 2
940 1 48 HIS HA 1 48 HIS HD2 . . 4.390 2.408 2.283 2.449 . 0 0 "[ . 1 . 2]" 2
941 1 43 TYR QD 1 48 HIS HA . . 3.870 2.960 2.880 3.034 . 0 0 "[ . 1 . 2]" 2
942 1 43 TYR HB2 1 48 HIS QB . . 4.290 3.883 3.719 3.966 . 0 0 "[ . 1 . 2]" 2
943 1 49 LYS HA 1 49 LYS QD . . 4.230 2.809 1.973 3.991 . 0 0 "[ . 1 . 2]" 2
944 1 49 LYS HA 1 51 GLN H . . 5.500 5.434 5.327 5.506 0.006 6 0 "[ . 1 . 2]" 2
945 1 49 LYS HA 1 49 LYS HG3 . . 3.940 3.151 2.216 3.616 . 0 0 "[ . 1 . 2]" 2
946 1 49 LYS HA 1 49 LYS HG2 . . 3.940 2.669 2.152 4.015 0.075 7 0 "[ . 1 . 2]" 2
947 1 50 PRO HB3 1 51 GLN H . . 4.360 4.251 4.221 4.291 . 0 0 "[ . 1 . 2]" 2
948 1 50 PRO HB2 1 51 GLN H . . 3.970 3.886 3.846 3.940 . 0 0 "[ . 1 . 2]" 2
949 1 50 PRO HB2 1 51 GLN HA . . 5.100 5.133 5.109 5.154 0.054 7 0 "[ . 1 . 2]" 2
950 1 49 LYS QB 1 50 PRO HD2 . . 3.900 2.201 2.177 2.335 . 0 0 "[ . 1 . 2]" 2
951 1 49 LYS QB 1 50 PRO HD3 . . 3.970 1.798 1.783 1.920 . 0 0 "[ . 1 . 2]" 2
952 1 51 GLN HA 1 51 GLN HG2 . . 3.780 2.740 2.714 2.767 . 0 0 "[ . 1 . 2]" 2
953 1 46 ASP HA 1 51 GLN HG2 . . 4.450 4.207 3.916 4.357 . 0 0 "[ . 1 . 2]" 2
954 1 51 GLN H 1 51 GLN HG2 . . 4.330 4.052 4.014 4.083 . 0 0 "[ . 1 . 2]" 2
955 1 51 GLN HA 1 51 GLN HG3 . . 3.890 2.437 2.407 2.467 . 0 0 "[ . 1 . 2]" 2
956 1 51 GLN HG3 1 52 VAL H . . 4.670 4.607 4.575 4.641 . 0 0 "[ . 1 . 2]" 2
957 1 45 GLN HB3 1 52 VAL HB . . 4.730 2.450 2.216 2.705 . 0 0 "[ . 1 . 2]" 2
958 1 51 GLN HA 1 52 VAL MG2 . . 4.190 3.818 3.586 4.010 . 0 0 "[ . 1 . 2]" 2
959 1 52 VAL MG2 1 64 TRP HH2 . . 4.920 4.040 3.814 4.200 . 0 0 "[ . 1 . 2]" 2
960 1 52 VAL MG2 1 64 TRP HD1 . . 4.390 4.151 3.898 4.402 0.012 18 0 "[ . 1 . 2]" 2
961 1 45 GLN HA 1 52 VAL MG1 . . 4.100 3.330 3.162 3.489 . 0 0 "[ . 1 . 2]" 2
962 1 52 VAL MG1 1 64 TRP HZ2 . . 4.840 3.956 3.679 4.206 . 0 0 "[ . 1 . 2]" 2
963 1 45 GLN QE 1 52 VAL MG1 . . 4.180 3.352 2.486 3.942 . 0 0 "[ . 1 . 2]" 2
964 1 53 THR HA 1 54 ASP QB . . 5.180 4.598 4.152 4.861 . 0 0 "[ . 1 . 2]" 2
965 1 52 VAL HA 1 53 THR HA . . 4.530 4.376 4.361 4.393 . 0 0 "[ . 1 . 2]" 2
966 1 53 THR HA 1 54 ASP HA . . 4.550 4.318 4.297 4.356 . 0 0 "[ . 1 . 2]" 2
967 1 53 THR HA 1 55 LYS H . . 5.500 4.666 4.233 4.953 . 0 0 "[ . 1 . 2]" 2
968 1 54 ASP QB 1 55 LYS HA . . 4.660 3.876 3.677 4.084 . 0 0 "[ . 1 . 2]" 2
969 1 53 THR HB 1 54 ASP QB . . 4.620 4.187 3.872 4.627 0.007 4 0 "[ . 1 . 2]" 2
970 1 55 LYS HA 1 58 ASN HB3 . . 4.510 3.997 3.601 4.447 . 0 0 "[ . 1 . 2]" 2
971 1 55 LYS HB2 1 56 GLU H . . 4.100 3.485 2.579 4.163 0.063 9 0 "[ . 1 . 2]" 2
972 1 56 GLU HB2 1 57 VAL MG1 . . 5.500 3.790 3.097 5.510 0.010 16 0 "[ . 1 . 2]" 2
973 1 56 GLU HB2 1 57 VAL MG2 . . 5.500 4.115 3.240 5.246 . 0 0 "[ . 1 . 2]" 2
974 1 56 GLU HB3 1 57 VAL MG1 . . 5.500 4.002 3.278 5.476 . 0 0 "[ . 1 . 2]" 2
975 1 56 GLU HB3 1 57 VAL MG2 . . 5.500 4.647 3.531 5.092 . 0 0 "[ . 1 . 2]" 2
976 1 56 GLU H 1 56 GLU HB3 . . 3.890 3.533 3.489 3.586 . 0 0 "[ . 1 . 2]" 2
977 1 52 VAL MG1 1 56 GLU HG2 . . 5.500 4.300 3.574 5.010 . 0 0 "[ . 1 . 2]" 2
978 1 52 VAL MG1 1 56 GLU HG3 . . 5.500 3.613 2.720 4.326 . 0 0 "[ . 1 . 2]" 2
979 1 56 GLU HG3 1 57 VAL H . . 4.870 4.577 4.379 4.828 . 0 0 "[ . 1 . 2]" 2
980 1 56 GLU HG2 1 57 VAL H . . 4.870 4.578 4.222 4.911 0.041 17 0 "[ . 1 . 2]" 2
981 1 34 VAL MG1 1 57 VAL HA . . 4.500 3.673 3.173 4.206 . 0 0 "[ . 1 . 2]" 2
982 1 34 VAL MG2 1 57 VAL HA . . 4.500 4.057 3.491 4.486 . 0 0 "[ . 1 . 2]" 2
983 1 52 VAL MG1 1 57 VAL HA . . 4.930 4.353 3.758 4.897 . 0 0 "[ . 1 . 2]" 2
984 1 57 VAL HA 1 59 ASP H . . 4.890 4.569 4.109 4.896 0.006 8 0 "[ . 1 . 2]" 2
985 1 55 LYS HA 1 58 ASN HB2 . . 4.510 2.623 2.179 3.008 . 0 0 "[ . 1 . 2]" 2
986 1 59 ASP HB2 1 62 LEU HB3 . . 3.960 3.274 1.994 3.963 0.003 7 0 "[ . 1 . 2]" 2
987 1 59 ASP HB2 1 62 LEU HB2 . . 3.960 3.115 2.401 3.720 . 0 0 "[ . 1 . 2]" 2
988 1 56 GLU HA 1 59 ASP HB2 . . 4.520 3.286 2.825 3.843 . 0 0 "[ . 1 . 2]" 2
989 1 59 ASP H 1 59 ASP HB2 . . 3.680 2.316 2.180 2.712 . 0 0 "[ . 1 . 2]" 2
990 1 59 ASP HB3 1 62 LEU HB2 . . 3.960 2.057 1.964 2.477 . 0 0 "[ . 1 . 2]" 2
991 1 59 ASP HB3 1 62 LEU HB3 . . 3.960 2.141 1.989 2.567 . 0 0 "[ . 1 . 2]" 2
992 1 56 GLU HA 1 59 ASP HB3 . . 4.520 4.095 3.476 4.552 0.032 11 0 "[ . 1 . 2]" 2
993 1 59 ASP HA 1 60 PRO HG2 . . 4.510 4.131 4.116 4.170 . 0 0 "[ . 1 . 2]" 2
994 1 61 ARG HA 1 61 ARG QD . . 4.260 3.373 1.994 4.298 0.038 13 0 "[ . 1 . 2]" 2
995 1 68 ARG HA 1 68 ARG QD . . 3.660 2.410 2.023 3.677 0.017 9 0 "[ . 1 . 2]" 2
996 1 62 LEU HB2 1 63 VAL H . . 4.810 3.909 3.602 4.106 . 0 0 "[ . 1 . 2]" 2
997 1 61 ARG H 1 62 LEU HB2 . . 5.310 4.656 4.481 4.905 . 0 0 "[ . 1 . 2]" 2
998 1 61 ARG H 1 62 LEU HB3 . . 5.310 4.403 4.118 4.573 . 0 0 "[ . 1 . 2]" 2
999 1 62 LEU HB3 1 63 VAL H . . 4.810 4.230 4.116 4.391 . 0 0 "[ . 1 . 2]" 2
1000 1 62 LEU HG 1 64 TRP HB2 . . 4.630 3.531 3.233 4.306 . 0 0 "[ . 1 . 2]" 2
1001 1 62 LEU HA 1 62 LEU HG . . 4.010 3.170 2.912 3.370 . 0 0 "[ . 1 . 2]" 2
1002 1 23 ARG HA 1 23 ARG HG3 . . 3.920 2.831 2.432 3.758 . 0 0 "[ . 1 . 2]" 2
1003 1 62 LEU HG 1 63 VAL HA . . 4.770 3.829 3.536 3.975 . 0 0 "[ . 1 . 2]" 2
1004 1 62 LEU MD1 1 64 TRP HD1 . . 4.300 4.132 3.605 4.320 0.020 12 0 "[ . 1 . 2]" 2
1005 1 62 LEU MD1 1 64 TRP H . . 5.300 4.706 4.290 5.254 . 0 0 "[ . 1 . 2]" 2
1006 1 62 LEU MD2 1 64 TRP HD1 . . 4.300 3.164 2.869 3.462 . 0 0 "[ . 1 . 2]" 2
1007 1 62 LEU MD2 1 63 VAL H . . 4.590 4.274 3.433 4.605 0.015 3 0 "[ . 1 . 2]" 2
1008 1 62 LEU MD2 1 64 TRP H . . 5.300 4.288 2.943 4.781 . 0 0 "[ . 1 . 2]" 2
1009 1 37 GLN HB3 1 63 VAL HA . . 5.500 4.873 4.448 5.286 . 0 0 "[ . 1 . 2]" 2
1010 1 37 GLN HG3 1 63 VAL HA . . 4.570 2.530 2.111 2.863 . 0 0 "[ . 1 . 2]" 2
1011 1 63 VAL MG1 1 65 TYR QE . . 5.000 2.691 1.961 3.671 . 0 0 "[ . 1 . 2]" 2
1012 1 63 VAL MG1 1 64 TRP H . . 4.350 3.564 2.796 4.255 . 0 0 "[ . 1 . 2]" 2
1013 1 62 LEU MD1 1 64 TRP HA . . 5.500 4.072 3.715 4.431 . 0 0 "[ . 1 . 2]" 2
1014 1 62 LEU MD2 1 64 TRP HA . . 5.500 4.037 3.390 4.347 . 0 0 "[ . 1 . 2]" 2
1015 1 62 LEU HG 1 64 TRP HA . . 5.500 3.907 3.669 4.333 . 0 0 "[ . 1 . 2]" 2
1016 1 64 TRP HB3 1 64 TRP HE3 . . 4.040 2.474 2.445 2.516 . 0 0 "[ . 1 . 2]" 2
1017 1 63 VAL HA 1 64 TRP HB2 . . 5.250 4.525 4.377 4.666 . 0 0 "[ . 1 . 2]" 2
1018 1 36 CYS HA 1 65 TYR HA . . 4.520 3.324 2.927 3.586 . 0 0 "[ . 1 . 2]" 2
1019 1 65 TYR HB2 1 66 CYS H . . 4.550 4.214 3.907 4.449 . 0 0 "[ . 1 . 2]" 2
1020 1 65 TYR HB3 1 66 CYS H . . 4.550 3.151 2.642 3.586 . 0 0 "[ . 1 . 2]" 2
1021 1 66 CYS HA 1 67 ALA MB . . 4.470 4.056 4.014 4.109 . 0 0 "[ . 1 . 2]" 2
1022 1 64 TRP HZ2 1 66 CYS HA . . 4.550 4.250 4.096 4.475 . 0 0 "[ . 1 . 2]" 2
1023 1 64 TRP HH2 1 66 CYS HA . . 4.230 3.457 3.270 3.638 . 0 0 "[ . 1 . 2]" 2
1024 1 48 HIS HE1 1 66 CYS HA . . 4.630 2.242 2.005 2.381 . 0 0 "[ . 1 . 2]" 2
1025 1 20 VAL MG1 1 66 CYS HB2 . . 5.220 4.957 4.824 5.082 . 0 0 "[ . 1 . 2]" 2
1026 1 36 CYS HB2 1 66 CYS HB2 . . 4.870 4.385 4.212 4.551 . 0 0 "[ . 1 . 2]" 2
1027 1 20 VAL MG1 1 66 CYS HB3 . . 5.290 5.151 5.061 5.292 0.002 3 0 "[ . 1 . 2]" 2
1028 1 67 ALA HA 1 70 THR MG . . 4.020 3.515 3.379 3.671 . 0 0 "[ . 1 . 2]" 2
1029 1 66 CYS HA 1 67 ALA HA . . 5.080 4.310 4.301 4.318 . 0 0 "[ . 1 . 2]" 2
1030 1 67 ALA HA 1 70 THR HG1 . . 4.690 2.932 2.001 3.845 . 0 0 "[ . 1 . 2]" 2
1031 1 67 ALA HA 1 71 ARG H . . 4.420 3.356 3.105 3.764 . 0 0 "[ . 1 . 2]" 2
1032 1 67 ALA MB 1 70 THR MG . . 4.410 4.380 4.265 4.474 0.064 16 0 "[ . 1 . 2]" 2
1033 1 67 ALA MB 1 68 ARG HG2 . . 4.450 3.901 3.761 4.414 . 0 0 "[ . 1 . 2]" 2
1034 1 66 CYS HB2 1 67 ALA MB . . 4.460 4.067 3.980 4.137 . 0 0 "[ . 1 . 2]" 2
1035 1 50 PRO HD3 1 67 ALA MB . . 4.480 3.545 3.232 3.808 . 0 0 "[ . 1 . 2]" 2
1036 1 67 ALA MB 1 70 THR HB . . 3.910 3.620 3.517 3.682 . 0 0 "[ . 1 . 2]" 2
1037 1 49 LYS H 1 67 ALA MB . . 5.280 3.911 3.643 4.121 . 0 0 "[ . 1 . 2]" 2
1038 1 67 ALA MB 1 69 CYS H . . 4.900 4.448 4.274 4.679 . 0 0 "[ . 1 . 2]" 2
1039 1 67 ALA MB 1 70 THR H . . 4.870 4.551 4.333 4.714 . 0 0 "[ . 1 . 2]" 2
1040 1 68 ARG HA 1 68 ARG HG3 . . 3.840 3.599 3.139 3.650 . 0 0 "[ . 1 . 2]" 2
1041 1 68 ARG H 1 68 ARG HG3 . . 4.740 3.631 2.851 3.811 . 0 0 "[ . 1 . 2]" 2
1042 1 69 CYS HA 1 72 GLN QG . . 3.900 2.755 2.349 3.181 . 0 0 "[ . 1 . 2]" 2
1043 1 68 ARG QD 1 69 CYS HA . . 5.380 5.310 5.210 5.416 0.036 9 0 "[ . 1 . 2]" 2
1044 1 38 GLU HB2 1 69 CYS HB2 . . 4.610 3.917 3.387 4.448 . 0 0 "[ . 1 . 2]" 2
1045 1 38 GLU HB3 1 69 CYS HB2 . . 4.840 3.537 3.050 4.321 . 0 0 "[ . 1 . 2]" 2
1046 1 65 TYR QD 1 69 CYS HB3 . . 5.430 4.291 3.515 4.775 . 0 0 "[ . 1 . 2]" 2
1047 1 38 GLU HB3 1 69 CYS HB3 . . 4.840 3.064 2.672 3.860 . 0 0 "[ . 1 . 2]" 2
1048 1 70 THR HA 1 73 MET QB . . 3.880 3.074 2.778 3.540 . 0 0 "[ . 1 . 2]" 2
1049 1 70 THR HA 1 73 MET HG3 . . 5.180 3.782 3.189 4.226 . 0 0 "[ . 1 . 2]" 2
1050 1 67 ALA HA 1 70 THR HA . . 5.360 4.791 4.636 4.877 . 0 0 "[ . 1 . 2]" 2
1051 1 70 THR HA 1 71 ARG HA . . 5.500 4.782 4.706 4.830 . 0 0 "[ . 1 . 2]" 2
1052 1 70 THR HA 1 72 GLN H . . 4.720 4.275 4.015 4.424 . 0 0 "[ . 1 . 2]" 2
1053 1 70 THR HA 1 74 LYS H . . 4.960 4.074 3.753 4.579 . 0 0 "[ . 1 . 2]" 2
1054 1 70 THR MG 1 74 LYS QD . . 3.950 3.409 2.018 3.958 0.008 16 0 "[ . 1 . 2]" 2
1055 1 70 THR MG 1 74 LYS QB . . 4.650 4.020 3.503 4.653 0.003 7 0 "[ . 1 . 2]" 2
1056 1 70 THR MG 1 71 ARG QB . . 4.870 4.480 4.060 4.873 0.003 5 0 "[ . 1 . 2]" 2
1057 1 70 THR MG 1 73 MET QB . . 5.090 4.074 3.697 4.658 . 0 0 "[ . 1 . 2]" 2
1058 1 65 TYR HB3 1 70 THR MG . . 4.530 4.285 3.926 4.534 0.004 16 0 "[ . 1 . 2]" 2
1059 1 65 TYR HB2 1 70 THR MG . . 4.530 4.128 3.630 4.503 . 0 0 "[ . 1 . 2]" 2
1060 1 65 TYR QD 1 70 THR MG . . 5.290 4.843 4.377 5.223 . 0 0 "[ . 1 . 2]" 2
1061 1 70 THR MG 1 74 LYS H . . 4.850 4.145 3.848 4.750 . 0 0 "[ . 1 . 2]" 2
1062 1 71 ARG HA 1 72 GLN H . . 3.560 3.510 3.482 3.527 . 0 0 "[ . 1 . 2]" 2
1063 1 74 LYS HA 1 76 MET H . . 4.700 4.123 3.736 4.685 . 0 0 "[ . 1 . 2]" 2
1064 1 68 ARG QD 1 72 GLN QG . . 5.500 4.729 4.046 5.223 . 0 0 "[ . 1 . 2]" 2
1065 1 71 ARG HD2 1 72 GLN QG . . 5.500 3.899 2.067 5.521 0.021 3 0 "[ . 1 . 2]" 2
1066 1 71 ARG HD3 1 72 GLN QG . . 5.500 3.872 2.454 5.557 0.057 5 0 "[ . 1 . 2]" 2
1067 1 72 GLN QG 1 73 MET H . . 4.820 3.929 3.662 4.148 . 0 0 "[ . 1 . 2]" 2
1068 1 73 MET QB 1 73 MET ME . . 4.410 3.250 2.886 3.488 . 0 0 "[ . 1 . 2]" 2
1069 1 74 LYS HA 1 74 LYS HG2 . . 3.880 2.634 2.171 3.854 . 0 0 "[ . 1 . 2]" 2
1070 1 75 ARG HA 1 75 ARG QD . . 4.420 4.152 2.470 4.416 . 0 0 "[ . 1 . 2]" 2
1071 1 75 ARG HA 1 75 ARG HG2 . . 3.910 3.458 2.352 3.893 . 0 0 "[ . 1 . 2]" 2
1072 1 33 LEU MD2 1 43 TYR HA . . 4.590 3.797 3.693 3.944 . 0 0 "[ . 1 . 2]" 2
1073 1 20 VAL MG2 1 43 TYR HA . . 5.500 5.524 5.455 5.552 0.052 20 0 "[ . 1 . 2]" 2
1074 1 42 LEU MD2 1 43 TYR HA . . 5.500 5.407 5.320 5.494 . 0 0 "[ . 1 . 2]" 2
1075 1 20 VAL MG1 1 43 TYR HA . . 4.410 3.077 3.008 3.121 . 0 0 "[ . 1 . 2]" 2
1076 1 21 VAL MG2 1 43 TYR HA . . 4.820 3.249 3.103 3.301 . 0 0 "[ . 1 . 2]" 2
1077 1 19 CYS HA 1 43 TYR HA . . 4.190 3.550 3.461 3.646 . 0 0 "[ . 1 . 2]" 2
1078 1 43 TYR HA 1 43 TYR QD . . 3.980 2.912 2.837 3.010 . 0 0 "[ . 1 . 2]" 2
1079 1 20 VAL H 1 43 TYR HA . . 4.170 2.944 2.897 3.005 . 0 0 "[ . 1 . 2]" 2
1080 1 43 TYR HA 1 44 HIS H . . 3.230 2.140 2.137 2.154 . 0 0 "[ . 1 . 2]" 2
1081 1 52 VAL MG1 1 64 TRP HD1 . . 4.350 3.627 3.295 3.909 . 0 0 "[ . 1 . 2]" 2
1082 1 64 TRP HA 1 64 TRP HD1 . . 3.720 2.936 2.835 3.060 . 0 0 "[ . 1 . 2]" 2
1083 1 64 TRP H 1 64 TRP HD1 . . 5.500 4.941 4.795 5.044 . 0 0 "[ . 1 . 2]" 2
1084 1 38 GLU HB3 1 65 TYR QD . . 3.510 3.481 3.341 3.556 0.046 16 0 "[ . 1 . 2]" 2
1085 1 38 GLU HB2 1 65 TYR QD . . 3.470 2.683 2.463 2.902 . 0 0 "[ . 1 . 2]" 2
1086 1 64 TRP HA 1 65 TYR QD . . 4.810 4.643 4.300 4.808 . 0 0 "[ . 1 . 2]" 2
1087 1 36 CYS HA 1 65 TYR QD . . 4.560 4.300 4.087 4.499 . 0 0 "[ . 1 . 2]" 2
1088 1 38 GLU HA 1 65 TYR QD . . 4.900 4.736 4.580 4.892 . 0 0 "[ . 1 . 2]" 2
1089 1 65 TYR HA 1 65 TYR QD . . 3.670 2.112 2.011 2.300 . 0 0 "[ . 1 . 2]" 2
1090 1 37 GLN H 1 65 TYR QD . . 4.260 2.801 2.668 3.028 . 0 0 "[ . 1 . 2]" 2
1091 1 38 GLU H 1 65 TYR QD . . 3.700 2.463 2.223 2.594 . 0 0 "[ . 1 . 2]" 2
1092 1 37 GLN HB2 1 65 TYR QE . . 3.660 2.156 2.030 2.329 . 0 0 "[ . 1 . 2]" 2
1093 1 63 VAL HB 1 65 TYR QE . . 4.880 4.291 3.456 4.772 . 0 0 "[ . 1 . 2]" 2
1094 1 38 GLU HB3 1 65 TYR QE . . 3.980 3.715 3.588 3.908 . 0 0 "[ . 1 . 2]" 2
1095 1 37 GLN HB3 1 65 TYR QE . . 3.700 3.463 3.261 3.711 0.011 6 0 "[ . 1 . 2]" 2
1096 1 38 GLU HB2 1 65 TYR QE . . 3.750 2.134 1.987 2.321 . 0 0 "[ . 1 . 2]" 2
1097 1 37 GLN HG2 1 65 TYR QE . . 4.630 4.184 3.400 4.490 . 0 0 "[ . 1 . 2]" 2
1098 1 37 GLN HA 1 65 TYR QE . . 5.170 4.504 4.350 4.705 . 0 0 "[ . 1 . 2]" 2
1099 1 65 TYR HA 1 65 TYR QE . . 4.880 4.258 4.201 4.350 . 0 0 "[ . 1 . 2]" 2
1100 1 39 CYS H 1 65 TYR QE . . 5.010 4.636 4.431 4.795 . 0 0 "[ . 1 . 2]" 2
1101 1 37 GLN H 1 65 TYR QE . . 5.000 3.334 3.225 3.454 . 0 0 "[ . 1 . 2]" 2
1102 1 20 VAL MG2 1 43 TYR QE . . 3.750 3.743 3.603 3.796 0.046 10 0 "[ . 1 . 2]" 2
1103 1 20 VAL MG1 1 43 TYR QE . . 3.740 2.538 2.310 2.573 . 0 0 "[ . 1 . 2]" 2
1104 1 41 ASN HB3 1 43 TYR QE . . 3.870 2.881 2.515 4.009 0.139 16 0 "[ . 1 . 2]" 2
1105 1 43 TYR QE 1 66 CYS HB3 . . 3.720 3.305 3.003 3.543 . 0 0 "[ . 1 . 2]" 2
1106 1 36 CYS HB2 1 43 TYR QE . . 4.580 4.189 4.032 4.414 . 0 0 "[ . 1 . 2]" 2
1107 1 41 ASN HB2 1 43 TYR QE . . 3.870 2.174 1.989 3.198 . 0 0 "[ . 1 . 2]" 2
1108 1 43 TYR QE 1 66 CYS HB2 . . 4.120 3.284 2.977 3.617 . 0 0 "[ . 1 . 2]" 2
1109 1 43 TYR QE 1 66 CYS HA . . 5.400 5.221 4.938 5.419 0.019 16 0 "[ . 1 . 2]" 2
1110 1 21 VAL HA 1 43 TYR QE . . 4.660 4.502 4.328 4.652 . 0 0 "[ . 1 . 2]" 2
1111 1 43 TYR QE 1 48 HIS HA . . 4.970 4.279 4.142 4.366 . 0 0 "[ . 1 . 2]" 2
1112 1 43 TYR QE 1 48 HIS HD2 . . 4.170 3.153 2.965 3.276 . 0 0 "[ . 1 . 2]" 2
1113 1 43 TYR QE 1 64 TRP HZ3 . . 4.710 4.418 4.255 4.544 . 0 0 "[ . 1 . 2]" 2
1114 1 21 VAL H 1 43 TYR QE . . 4.830 4.553 4.370 4.757 . 0 0 "[ . 1 . 2]" 2
1115 1 43 TYR QE 1 66 CYS H . . 5.500 5.383 5.251 5.556 0.056 16 0 "[ . 1 . 2]" 2
1116 1 38 GLU HB3 1 40 HIS HD2 . . 5.500 5.496 5.414 5.535 0.035 12 0 "[ . 1 . 2]" 2
1117 1 40 HIS QB 1 40 HIS HD2 . . 3.650 2.783 2.748 2.818 . 0 0 "[ . 1 . 2]" 2
1118 1 40 HIS H 1 40 HIS HD2 . . 4.710 3.524 3.437 3.621 . 0 0 "[ . 1 . 2]" 2
1119 1 33 LEU HA 1 44 HIS HD2 . . 4.670 3.065 2.802 3.259 . 0 0 "[ . 1 . 2]" 2
1120 1 27 VAL HA 1 44 HIS HD2 . . 4.320 3.741 3.248 3.996 . 0 0 "[ . 1 . 2]" 2
1121 1 44 HIS HA 1 44 HIS HD2 . . 3.940 2.751 2.662 2.836 . 0 0 "[ . 1 . 2]" 2
1122 1 44 HIS HD2 1 45 GLN H . . 4.580 3.513 3.432 3.623 . 0 0 "[ . 1 . 2]" 2
1123 1 32 GLN H 1 44 HIS HD2 . . 5.500 5.059 4.772 5.228 . 0 0 "[ . 1 . 2]" 2
1124 1 73 MET HA 1 73 MET ME . . 4.940 4.774 4.700 4.834 . 0 0 "[ . 1 . 2]" 2
1125 1 73 MET H 1 73 MET ME . . 4.610 3.913 3.712 4.299 . 0 0 "[ . 1 . 2]" 2
1126 1 69 CYS HA 1 73 MET ME . . 4.980 4.162 3.949 4.388 . 0 0 "[ . 1 . 2]" 2
1127 1 45 GLN QE 1 54 ASP QB . . 4.360 3.666 2.998 4.230 . 0 0 "[ . 1 . 2]" 2
1128 1 48 HIS HE1 1 67 ALA MB . . 3.930 3.829 3.710 3.911 . 0 0 "[ . 1 . 2]" 2
1129 1 48 HIS HE1 1 50 PRO HG2 . . 4.750 3.033 2.911 3.156 . 0 0 "[ . 1 . 2]" 2
1130 1 48 HIS HE1 1 50 PRO HG3 . . 4.750 3.152 3.016 3.209 . 0 0 "[ . 1 . 2]" 2
1131 1 48 HIS HE1 1 66 CYS HB3 . . 5.280 4.502 4.263 4.667 . 0 0 "[ . 1 . 2]" 2
1132 1 48 HIS HE1 1 50 PRO HD3 . . 4.420 4.227 4.128 4.268 . 0 0 "[ . 1 . 2]" 2
1133 1 48 HIS HE1 1 50 PRO HD2 . . 3.390 3.416 3.398 3.456 0.066 7 0 "[ . 1 . 2]" 2
1134 1 48 HIS HE1 1 67 ALA HA . . 4.560 4.466 4.267 4.563 0.003 2 0 "[ . 1 . 2]" 2
1135 1 48 HIS HE1 1 64 TRP HZ2 . . 4.360 3.163 3.091 3.270 . 0 0 "[ . 1 . 2]" 2
1136 1 48 HIS HE1 1 64 TRP HZ3 . . 5.500 5.051 4.810 5.215 . 0 0 "[ . 1 . 2]" 2
1137 1 20 VAL MG1 1 48 HIS HD2 . . 5.430 4.841 4.712 5.023 . 0 0 "[ . 1 . 2]" 2
1138 1 48 HIS HD2 1 49 LYS QB . . 5.500 4.752 4.446 4.839 . 0 0 "[ . 1 . 2]" 2
1139 1 48 HIS HD2 1 67 ALA MB . . 5.500 4.267 4.069 4.435 . 0 0 "[ . 1 . 2]" 2
1140 1 48 HIS HD2 1 66 CYS HB3 . . 5.150 4.591 4.436 4.835 . 0 0 "[ . 1 . 2]" 2
1141 1 48 HIS HD2 1 66 CYS HB2 . . 4.720 3.503 3.373 3.740 . 0 0 "[ . 1 . 2]" 2
1142 1 48 HIS HD2 1 66 CYS HA . . 5.340 4.353 4.285 4.514 . 0 0 "[ . 1 . 2]" 2
1143 1 48 HIS HD2 1 64 TRP HZ2 . . 5.100 4.652 4.508 4.928 . 0 0 "[ . 1 . 2]" 2
1144 1 48 HIS HD2 1 49 LYS H . . 5.130 3.306 3.086 3.394 . 0 0 "[ . 1 . 2]" 2
1145 1 43 TYR QD 1 48 HIS HD2 . . 4.610 2.210 2.079 2.281 . 0 0 "[ . 1 . 2]" 2
1146 1 48 HIS H 1 48 HIS HD2 . . 4.930 4.534 4.498 4.581 . 0 0 "[ . 1 . 2]" 2
1147 1 34 VAL MG1 1 64 TRP HH2 . . 5.500 4.129 3.954 4.356 . 0 0 "[ . 1 . 2]" 2
1148 1 20 VAL MG1 1 64 TRP HH2 . . 5.500 5.518 5.472 5.545 0.045 9 0 "[ . 1 . 2]" 2
1149 1 64 TRP HH2 1 66 CYS HB3 . . 4.290 3.405 3.203 3.685 . 0 0 "[ . 1 . 2]" 2
1150 1 43 TYR HB2 1 64 TRP HH2 . . 4.120 2.027 1.988 2.208 . 0 0 "[ . 1 . 2]" 2
1151 1 48 HIS QB 1 64 TRP HH2 . . 4.130 3.297 3.094 3.406 . 0 0 "[ . 1 . 2]" 2
1152 1 43 TYR HB3 1 64 TRP HH2 . . 4.240 2.335 2.146 2.547 . 0 0 "[ . 1 . 2]" 2
1153 1 64 TRP HH2 1 66 CYS HB2 . . 4.370 3.728 3.399 4.083 . 0 0 "[ . 1 . 2]" 2
1154 1 48 HIS HD2 1 64 TRP HH2 . . 4.030 3.289 3.135 3.710 . 0 0 "[ . 1 . 2]" 2
1155 1 43 TYR QE 1 64 TRP HH2 . . 5.050 4.883 4.808 4.950 . 0 0 "[ . 1 . 2]" 2
1156 1 43 TYR QD 1 64 TRP HH2 . . 3.900 3.347 3.262 3.428 . 0 0 "[ . 1 . 2]" 2
1157 1 36 CYS HB2 1 64 TRP HZ3 . . 4.590 2.691 2.571 2.896 . 0 0 "[ . 1 . 2]" 2
1158 1 36 CYS HA 1 64 TRP HZ3 . . 5.090 3.647 3.474 3.933 . 0 0 "[ . 1 . 2]" 2
1159 1 36 CYS HA 1 64 TRP HE3 . . 3.950 1.996 1.972 2.103 . 0 0 "[ . 1 . 2]" 2
1160 1 37 GLN H 1 64 TRP HE3 . . 4.900 4.204 4.099 4.394 . 0 0 "[ . 1 . 2]" 2
1161 1 11 PHE QD 1 12 ALA MB . . 5.500 3.657 2.380 4.601 . 0 0 "[ . 1 . 2]" 2
1162 1 11 PHE QD 1 13 MET QB . . 5.420 3.216 1.823 4.571 . 0 0 "[ . 1 . 2]" 2
1163 1 11 PHE QD 1 13 MET QG . . 5.500 4.051 1.969 5.532 0.032 17 0 "[ . 1 . 2]" 2
1164 1 11 PHE QD 1 12 ALA HA . . 5.500 4.828 4.068 5.550 0.050 12 0 "[ . 1 . 2]" 2
1165 1 11 PHE HA 1 11 PHE QD . . 4.160 2.640 1.960 3.314 . 0 0 "[ . 1 . 2]" 2
1166 1 11 PHE QD 1 13 MET H . . 4.770 2.984 1.901 4.557 . 0 0 "[ . 1 . 2]" 2
1167 1 11 PHE QE 1 13 MET QB . . 5.500 4.617 2.585 5.582 0.082 15 0 "[ . 1 . 2]" 2
1168 1 11 PHE HA 1 11 PHE QE . . 4.960 4.584 4.170 5.091 0.131 15 0 "[ . 1 . 2]" 2
1169 1 11 PHE QE 1 12 ALA H . . 5.220 4.247 3.496 5.233 0.013 14 0 "[ . 1 . 2]" 2
1170 1 37 GLN HB3 1 40 HIS HE1 . . 5.430 5.195 4.810 5.433 0.003 1 0 "[ . 1 . 2]" 2
1171 1 24 GLN QB 1 44 HIS HE1 . . 3.020 2.690 2.422 2.780 . 0 0 "[ . 1 . 2]" 2
1172 1 19 CYS HA 1 44 HIS HE1 . . 5.500 5.532 5.492 5.572 0.072 20 0 "[ . 1 . 2]" 2
1173 1 24 GLN HA 1 44 HIS HE1 . . 4.370 4.364 4.280 4.414 0.044 10 0 "[ . 1 . 2]" 2
1174 1 23 ARG H 1 44 HIS HE1 . . 5.500 5.436 5.277 5.524 0.024 10 0 "[ . 1 . 2]" 2
1175 1 25 MET H 1 44 HIS HE1 . . 4.910 3.897 3.650 4.138 . 0 0 "[ . 1 . 2]" 2
1176 1 65 TYR QD 1 69 CYS HB2 . . 5.430 3.927 3.258 4.412 . 0 0 "[ . 1 . 2]" 2
1177 1 37 GLN HA 1 65 TYR QD . . 5.370 5.279 5.136 5.364 . 0 0 "[ . 1 . 2]" 2
1178 1 34 VAL HB 1 64 TRP HE3 . . 4.740 4.239 4.081 4.389 . 0 0 "[ . 1 . 2]" 2
1179 1 34 VAL HB 1 52 VAL MG1 . . 4.460 4.248 4.034 4.379 . 0 0 "[ . 1 . 2]" 2
1180 1 34 VAL MG1 1 45 GLN HG3 . . 4.970 4.866 4.719 4.974 0.004 1 0 "[ . 1 . 2]" 2
1181 1 34 VAL MG2 1 64 TRP HB3 . . 5.490 5.283 5.035 5.434 . 0 0 "[ . 1 . 2]" 2
1182 1 33 LEU HG 1 44 HIS HA . . 4.800 3.371 3.191 3.548 . 0 0 "[ . 1 . 2]" 2
1183 1 25 MET QG 1 33 LEU MD2 . . 5.010 4.967 4.801 5.043 0.033 3 0 "[ . 1 . 2]" 2
1184 1 19 CYS HA 1 42 LEU HB3 . . 4.480 2.043 1.991 2.147 . 0 0 "[ . 1 . 2]" 2
1185 1 34 VAL HB 1 42 LEU MD2 . . 5.180 5.067 4.911 5.167 . 0 0 "[ . 1 . 2]" 2
1186 1 35 GLU HB2 1 42 LEU MD2 . . 2.970 2.117 1.919 2.250 . 0 0 "[ . 1 . 2]" 2
1187 1 35 GLU HB3 1 42 LEU MD2 . . 3.640 3.558 3.378 3.660 0.020 1 0 "[ . 1 . 2]" 2
1188 1 18 ALA H 1 42 LEU MD2 . . 5.500 5.014 4.502 5.494 . 0 0 "[ . 1 . 2]" 2
1189 1 32 GLN H 1 45 GLN HB2 . . 4.980 2.675 2.569 2.803 . 0 0 "[ . 1 . 2]" 2
1190 1 32 GLN H 1 45 GLN HB3 . . 4.980 3.803 3.683 3.892 . 0 0 "[ . 1 . 2]" 2
1191 1 45 GLN HG2 1 52 VAL MG1 . . 5.010 2.091 1.939 2.267 . 0 0 "[ . 1 . 2]" 2
1192 1 45 GLN HG2 1 52 VAL MG2 . . 4.380 3.259 2.935 3.512 . 0 0 "[ . 1 . 2]" 2
1193 1 45 GLN HG2 1 52 VAL HB . . 4.190 2.011 1.985 2.110 . 0 0 "[ . 1 . 2]" 2
1194 1 45 GLN H 1 45 GLN HG2 . . 3.950 3.349 3.118 3.547 . 0 0 "[ . 1 . 2]" 2
1195 1 32 GLN H 1 45 GLN HG2 . . 4.610 4.341 4.107 4.614 0.004 3 0 "[ . 1 . 2]" 2
1196 1 9 ASP QB 1 10 ASP H . . 4.210 3.354 2.726 4.060 . 0 0 "[ . 1 . 2]" 2
1197 1 11 PHE H 1 11 PHE QB . . 2.830 2.705 2.132 2.856 0.026 12 0 "[ . 1 . 2]" 2
1198 1 11 PHE QB 1 12 ALA H . . 3.620 2.941 1.872 3.634 0.014 15 0 "[ . 1 . 2]" 2
1199 1 12 ALA HA 1 17 LEU QD . . 4.840 3.769 2.281 4.843 0.003 16 0 "[ . 1 . 2]" 2
1200 1 15 MET QB 1 17 LEU QD . . 3.430 1.835 1.693 2.002 . 0 0 "[ . 1 . 2]" 2
1201 1 17 LEU H 1 17 LEU QD . . 3.340 2.373 1.833 3.095 . 0 0 "[ . 1 . 2]" 2
1202 1 17 LEU HA 1 17 LEU QD . . 3.450 3.353 3.268 3.397 . 0 0 "[ . 1 . 2]" 2
1203 1 17 LEU HB2 1 17 LEU QD . . 2.810 2.010 1.949 2.158 . 0 0 "[ . 1 . 2]" 2
1204 1 17 LEU HB3 1 17 LEU QD . . 2.660 2.075 1.950 2.210 . 0 0 "[ . 1 . 2]" 2
1205 1 17 LEU QD 1 18 ALA H . . 3.890 3.775 3.252 3.977 0.087 3 0 "[ . 1 . 2]" 2
1206 1 18 ALA HA 1 25 MET QB . . 4.780 4.073 3.934 4.281 . 0 0 "[ . 1 . 2]" 2
1207 1 18 ALA MB 1 19 CYS QB . . 5.340 4.444 4.350 4.511 . 0 0 "[ . 1 . 2]" 2
1208 1 18 ALA MB 1 23 ARG QB . . 4.260 3.697 3.516 3.887 . 0 0 "[ . 1 . 2]" 2
1209 1 18 ALA MB 1 25 MET QB . . 4.470 3.771 3.510 3.969 . 0 0 "[ . 1 . 2]" 2
1210 1 19 CYS H 1 19 CYS QB . . 3.070 2.220 2.200 2.251 . 0 0 "[ . 1 . 2]" 2
1211 1 19 CYS QB 1 20 VAL H . . 3.770 2.300 2.262 2.337 . 0 0 "[ . 1 . 2]" 2
1212 1 19 CYS QB 1 21 VAL H . . 4.420 2.963 2.845 3.031 . 0 0 "[ . 1 . 2]" 2
1213 1 19 CYS QB 1 23 ARG H . . 4.740 4.161 4.103 4.287 . 0 0 "[ . 1 . 2]" 2
1214 1 19 CYS QB 1 24 GLN H . . 3.910 3.889 3.813 3.946 0.036 13 0 "[ . 1 . 2]" 2
1215 1 19 CYS QB 1 33 LEU MD1 . . 5.270 3.765 3.643 3.903 . 0 0 "[ . 1 . 2]" 2
1216 1 19 CYS QB 1 33 LEU MD2 . . 3.170 1.890 1.837 1.966 . 0 0 "[ . 1 . 2]" 2
1217 1 19 CYS QB 1 42 LEU HB3 . . 4.520 3.409 3.318 3.491 . 0 0 "[ . 1 . 2]" 2
1218 1 19 CYS QB 1 43 TYR HA . . 4.710 2.079 2.036 2.144 . 0 0 "[ . 1 . 2]" 2
1219 1 19 CYS QB 1 44 HIS HE1 . . 3.870 3.409 3.360 3.465 . 0 0 "[ . 1 . 2]" 2
1220 1 20 VAL H 1 41 ASN QB . . 4.760 4.530 4.228 4.659 . 0 0 "[ . 1 . 2]" 2
1221 1 20 VAL HB 1 41 ASN QB . . 4.440 3.064 2.795 3.165 . 0 0 "[ . 1 . 2]" 2
1222 1 20 VAL MG1 1 41 ASN QD . . 3.930 3.057 2.854 3.298 . 0 0 "[ . 1 . 2]" 2
1223 1 20 VAL MG2 1 41 ASN QB . . 3.610 3.619 3.521 3.652 0.042 14 0 "[ . 1 . 2]" 2
1224 1 21 VAL MG1 1 22 CYS QB . . 3.800 3.033 2.980 3.100 . 0 0 "[ . 1 . 2]" 2
1225 1 22 CYS H 1 22 CYS QB . . 3.280 2.600 2.574 2.624 . 0 0 "[ . 1 . 2]" 2
1226 1 22 CYS QB 1 23 ARG H . . 4.110 3.748 3.713 3.811 . 0 0 "[ . 1 . 2]" 2
1227 1 22 CYS QB 1 24 GLN H . . 5.340 4.385 4.310 4.441 . 0 0 "[ . 1 . 2]" 2
1228 1 23 ARG H 1 23 ARG QG . . 3.460 2.817 2.636 2.989 . 0 0 "[ . 1 . 2]" 2
1229 1 23 ARG HA 1 23 ARG QG . . 3.350 2.425 2.302 2.627 . 0 0 "[ . 1 . 2]" 2
1230 1 23 ARG QB 1 24 GLN H . . 4.030 3.902 3.898 3.906 . 0 0 "[ . 1 . 2]" 2
1231 1 23 ARG QG 1 24 GLN H . . 4.830 4.542 4.504 4.693 . 0 0 "[ . 1 . 2]" 2
1232 1 25 MET QB 1 26 THR H . . 3.540 3.219 3.030 3.432 . 0 0 "[ . 1 . 2]" 2
1233 1 25 MET QB 1 33 LEU MD1 . . 4.290 3.547 3.352 3.712 . 0 0 "[ . 1 . 2]" 2
1234 1 25 MET QB 1 33 LEU MD2 . . 5.340 5.331 5.192 5.377 0.037 19 0 "[ . 1 . 2]" 2
1235 1 27 VAL MG1 1 31 ASN QB . . 5.340 4.487 4.043 4.883 . 0 0 "[ . 1 . 2]" 2
1236 1 27 VAL MG1 1 32 GLN QB . . 3.970 3.610 3.303 3.836 . 0 0 "[ . 1 . 2]" 2
1237 1 28 ALA H 1 31 ASN QB . . 3.870 3.226 2.654 3.625 . 0 0 "[ . 1 . 2]" 2
1238 1 28 ALA MB 1 31 ASN QB . . 3.550 2.460 2.172 2.867 . 0 0 "[ . 1 . 2]" 2
1239 1 28 ALA MB 1 31 ASN QD . . 4.670 4.105 3.090 4.670 0.000 2 0 "[ . 1 . 2]" 2
1240 1 29 SER HA 1 32 GLN QE . . 4.710 3.797 2.088 4.707 . 0 0 "[ . 1 . 2]" 2
1241 1 31 ASN H 1 31 ASN QB . . 3.310 2.334 2.204 2.485 . 0 0 "[ . 1 . 2]" 2
1242 1 31 ASN HA 1 45 GLN QB . . 3.690 2.637 2.008 2.853 . 0 0 "[ . 1 . 2]" 2
1243 1 31 ASN QB 1 44 HIS HD2 . . 4.910 4.546 4.200 4.931 0.021 11 0 "[ . 1 . 2]" 2
1244 1 31 ASN QD 1 46 ASP H . . 5.250 4.467 3.363 5.258 0.008 18 0 "[ . 1 . 2]" 2
1245 1 31 ASN QD 1 46 ASP QB . . 3.460 2.521 1.793 3.105 . 0 0 "[ . 1 . 2]" 2
1246 1 32 GLN H 1 32 GLN QE . . 5.340 4.949 2.909 5.355 0.015 16 0 "[ . 1 . 2]" 2
1247 1 32 GLN H 1 34 VAL QG . . 5.440 4.846 4.652 5.057 . 0 0 "[ . 1 . 2]" 2
1248 1 32 GLN H 1 45 GLN QB . . 4.370 2.624 2.532 2.740 . 0 0 "[ . 1 . 2]" 2
1249 1 32 GLN QB 1 33 LEU H . . 3.050 1.958 1.903 2.113 . 0 0 "[ . 1 . 2]" 2
1250 1 32 GLN QB 1 34 VAL QG . . 4.940 3.845 3.682 3.973 . 0 0 "[ . 1 . 2]" 2
1251 1 32 GLN QB 1 57 VAL QG . . 3.610 2.650 2.193 2.972 . 0 0 "[ . 1 . 2]" 2
1252 1 32 GLN QG 1 57 VAL QG . . 3.950 3.310 2.817 3.842 . 0 0 "[ . 1 . 2]" 2
1253 1 32 GLN QE 1 57 VAL QG . . 4.850 4.529 3.866 4.873 0.023 10 0 "[ . 1 . 2]" 2
1254 1 33 LEU HA 1 34 VAL QG . . 4.310 3.229 2.989 3.437 . 0 0 "[ . 1 . 2]" 2
1255 1 33 LEU HB3 1 34 VAL QG . . 5.370 4.324 4.171 4.560 . 0 0 "[ . 1 . 2]" 2
1256 1 34 VAL H 1 34 VAL QG . . 3.240 2.698 2.319 2.843 . 0 0 "[ . 1 . 2]" 2
1257 1 34 VAL H 1 57 VAL QG . . 5.210 4.595 4.396 4.811 . 0 0 "[ . 1 . 2]" 2
1258 1 34 VAL HA 1 57 VAL QG . . 4.360 3.137 2.648 3.597 . 0 0 "[ . 1 . 2]" 2
1259 1 34 VAL HB 1 57 VAL QG . . 4.830 4.142 3.746 4.520 . 0 0 "[ . 1 . 2]" 2
1260 1 34 VAL QG 1 35 GLU H . . 3.450 1.921 1.858 2.003 . 0 0 "[ . 1 . 2]" 2
1261 1 34 VAL QG 1 35 GLU HB2 . . 4.780 4.479 4.345 4.620 . 0 0 "[ . 1 . 2]" 2
1262 1 34 VAL QG 1 35 GLU HB3 . . 4.890 4.067 3.974 4.201 . 0 0 "[ . 1 . 2]" 2
1263 1 34 VAL QG 1 42 LEU MD2 . . 4.820 4.384 4.286 4.507 . 0 0 "[ . 1 . 2]" 2
1264 1 34 VAL QG 1 43 TYR H . . 4.040 3.842 3.801 3.894 . 0 0 "[ . 1 . 2]" 2
1265 1 34 VAL QG 1 43 TYR HB2 . . 4.570 3.799 3.684 3.941 . 0 0 "[ . 1 . 2]" 2
1266 1 34 VAL QG 1 44 HIS HA . . 4.830 3.740 3.538 4.017 . 0 0 "[ . 1 . 2]" 2
1267 1 34 VAL QG 1 45 GLN H . . 4.080 2.821 2.682 3.012 . 0 0 "[ . 1 . 2]" 2
1268 1 34 VAL QG 1 45 GLN HA . . 4.080 2.682 2.508 2.927 . 0 0 "[ . 1 . 2]" 2
1269 1 34 VAL QG 1 45 GLN QB . . 4.700 3.564 3.462 3.648 . 0 0 "[ . 1 . 2]" 2
1270 1 34 VAL QG 1 45 GLN HG2 . . 3.720 2.239 2.070 2.441 . 0 0 "[ . 1 . 2]" 2
1271 1 34 VAL QG 1 45 GLN HG3 . . 3.700 2.397 2.153 2.602 . 0 0 "[ . 1 . 2]" 2
1272 1 34 VAL QG 1 52 VAL H . . 5.440 4.957 4.809 5.145 . 0 0 "[ . 1 . 2]" 2
1273 1 34 VAL QG 1 52 VAL HB . . 3.860 3.111 2.890 3.322 . 0 0 "[ . 1 . 2]" 2
1274 1 34 VAL QG 1 52 VAL MG2 . . 3.070 2.645 2.410 2.884 . 0 0 "[ . 1 . 2]" 2
1275 1 34 VAL QG 1 57 VAL H . . 5.280 4.101 3.882 4.376 . 0 0 "[ . 1 . 2]" 2
1276 1 34 VAL QG 1 57 VAL HB . . 5.250 3.550 2.937 4.410 . 0 0 "[ . 1 . 2]" 2
1277 1 34 VAL QG 1 57 VAL QG . . 2.680 1.834 1.622 2.138 . 0 0 "[ . 1 . 2]" 2
1278 1 34 VAL QG 1 62 LEU QD . . 4.580 4.001 3.517 4.514 . 0 0 "[ . 1 . 2]" 2
1279 1 34 VAL QG 1 64 TRP H . . 4.990 4.806 4.631 4.974 . 0 0 "[ . 1 . 2]" 2
1280 1 34 VAL QG 1 64 TRP HB2 . . 4.290 3.120 2.952 3.288 . 0 0 "[ . 1 . 2]" 2
1281 1 34 VAL QG 1 64 TRP HB3 . . 4.340 2.835 2.712 2.986 . 0 0 "[ . 1 . 2]" 2
1282 1 34 VAL QG 1 64 TRP HD1 . . 4.730 3.394 3.179 3.635 . 0 0 "[ . 1 . 2]" 2
1283 1 34 VAL QG 1 64 TRP HE3 . . 3.630 2.561 2.463 2.812 . 0 0 "[ . 1 . 2]" 2
1284 1 34 VAL QG 1 64 TRP HZ3 . . 4.250 3.439 3.291 3.698 . 0 0 "[ . 1 . 2]" 2
1285 1 34 VAL QG 1 64 TRP HZ2 . . 4.560 3.450 3.278 3.608 . 0 0 "[ . 1 . 2]" 2
1286 1 34 VAL QG 1 64 TRP HH2 . . 4.710 3.827 3.693 3.947 . 0 0 "[ . 1 . 2]" 2
1287 1 35 GLU H 1 57 VAL QG . . 4.790 4.419 3.745 4.757 . 0 0 "[ . 1 . 2]" 2
1288 1 35 GLU HB3 1 37 GLN QE . . 4.360 3.799 3.417 4.148 . 0 0 "[ . 1 . 2]" 2
1289 1 35 GLU QG 1 37 GLN QE . . 4.470 3.357 2.934 4.058 . 0 0 "[ . 1 . 2]" 2
1290 1 36 CYS HB2 1 39 CYS QB . . 4.870 4.412 3.658 4.905 0.035 9 0 "[ . 1 . 2]" 2
1291 1 36 CYS HB3 1 39 CYS QB . . 4.630 3.546 2.699 4.126 . 0 0 "[ . 1 . 2]" 2
1292 1 37 GLN H 1 37 GLN QE . . 4.070 3.348 2.885 3.712 . 0 0 "[ . 1 . 2]" 2
1293 1 37 GLN H 1 63 VAL QG . . 4.800 4.085 3.679 4.826 0.026 11 0 "[ . 1 . 2]" 2
1294 1 37 GLN HA 1 37 GLN QE . . 4.030 2.439 2.078 2.865 . 0 0 "[ . 1 . 2]" 2
1295 1 37 GLN HB2 1 63 VAL QG . . 3.330 2.682 2.183 3.162 . 0 0 "[ . 1 . 2]" 2
1296 1 37 GLN HB3 1 63 VAL QG . . 3.540 3.167 2.721 3.550 0.010 14 0 "[ . 1 . 2]" 2
1297 1 37 GLN QE 1 37 GLN HG2 . . 3.400 2.391 2.116 3.349 . 0 0 "[ . 1 . 2]" 2
1298 1 37 GLN HG2 1 63 VAL QG . . 3.470 2.655 2.038 3.431 . 0 0 "[ . 1 . 2]" 2
1299 1 37 GLN HG3 1 63 VAL QG . . 3.190 1.973 1.824 2.302 . 0 0 "[ . 1 . 2]" 2
1300 1 37 GLN QE 1 40 HIS HE1 . . 5.340 4.903 4.399 5.344 0.004 11 0 "[ . 1 . 2]" 2
1301 1 37 GLN QE 1 64 TRP H . . 4.230 3.730 3.233 4.134 . 0 0 "[ . 1 . 2]" 2
1302 1 37 GLN QE 1 64 TRP HB3 . . 4.240 3.995 3.472 4.262 0.022 6 0 "[ . 1 . 2]" 2
1303 1 38 GLU H 1 38 GLU QG . . 4.330 3.994 3.892 4.116 . 0 0 "[ . 1 . 2]" 2
1304 1 38 GLU H 1 39 CYS QB . . 5.340 5.007 4.798 5.112 . 0 0 "[ . 1 . 2]" 2
1305 1 38 GLU HB2 1 69 CYS QB . . 3.900 3.367 3.161 3.609 . 0 0 "[ . 1 . 2]" 2
1306 1 38 GLU HB3 1 69 CYS QB . . 4.260 2.887 2.529 3.605 . 0 0 "[ . 1 . 2]" 2
1307 1 38 GLU QG 1 39 CYS H . . 4.250 3.841 3.357 4.134 . 0 0 "[ . 1 . 2]" 2
1308 1 38 GLU QG 1 65 TYR QD . . 4.540 4.385 4.185 4.532 . 0 0 "[ . 1 . 2]" 2
1309 1 38 GLU QG 1 65 TYR QE . . 4.220 3.692 3.239 4.081 . 0 0 "[ . 1 . 2]" 2
1310 1 38 GLU QG 1 69 CYS QB . . 4.440 3.004 2.565 3.758 . 0 0 "[ . 1 . 2]" 2
1311 1 38 GLU QG 1 73 MET ME . . 2.980 2.499 2.003 3.038 0.058 16 0 "[ . 1 . 2]" 2
1312 1 39 CYS H 1 39 CYS QB . . 3.400 2.647 2.497 2.761 . 0 0 "[ . 1 . 2]" 2
1313 1 39 CYS QB 1 40 HIS H . . 3.960 3.239 2.783 3.646 . 0 0 "[ . 1 . 2]" 2
1314 1 39 CYS QB 1 41 ASN H . . 3.790 3.098 2.452 3.692 . 0 0 "[ . 1 . 2]" 2
1315 1 39 CYS QB 1 41 ASN QD . . 4.640 3.794 1.990 4.145 . 0 0 "[ . 1 . 2]" 2
1316 1 41 ASN H 1 41 ASN QB . . 3.340 2.418 2.345 2.956 . 0 0 "[ . 1 . 2]" 2
1317 1 41 ASN H 1 41 ASN QD . . 4.810 4.499 3.511 4.636 . 0 0 "[ . 1 . 2]" 2
1318 1 41 ASN HA 1 41 ASN QD . . 4.270 3.258 2.869 4.257 . 0 0 "[ . 1 . 2]" 2
1319 1 41 ASN QB 1 42 LEU H . . 3.590 2.687 1.903 2.826 . 0 0 "[ . 1 . 2]" 2
1320 1 41 ASN QB 1 43 TYR QE . . 3.380 2.112 1.918 3.078 . 0 0 "[ . 1 . 2]" 2
1321 1 41 ASN QD 1 42 LEU H . . 4.750 3.875 3.541 4.494 . 0 0 "[ . 1 . 2]" 2
1322 1 44 HIS HB3 1 46 ASP QB . . 4.350 3.192 2.959 4.101 . 0 0 "[ . 1 . 2]" 2
1323 1 45 GLN H 1 45 GLN QB . . 3.060 2.424 2.304 2.543 . 0 0 "[ . 1 . 2]" 2
1324 1 45 GLN QB 1 45 GLN QE . . 3.910 3.175 1.774 3.571 . 0 0 "[ . 1 . 2]" 2
1325 1 45 GLN QB 1 46 ASP H . . 3.870 2.854 2.751 2.948 . 0 0 "[ . 1 . 2]" 2
1326 1 45 GLN QB 1 52 VAL H . . 4.900 3.411 3.148 3.672 . 0 0 "[ . 1 . 2]" 2
1327 1 45 GLN QB 1 52 VAL HB . . 3.870 2.420 2.195 2.661 . 0 0 "[ . 1 . 2]" 2
1328 1 45 GLN QB 1 52 VAL MG1 . . 4.530 3.454 3.186 3.687 . 0 0 "[ . 1 . 2]" 2
1329 1 45 GLN QB 1 52 VAL MG2 . . 5.340 3.742 3.576 3.949 . 0 0 "[ . 1 . 2]" 2
1330 1 45 GLN HG2 1 57 VAL QG . . 4.790 2.846 2.277 3.519 . 0 0 "[ . 1 . 2]" 2
1331 1 45 GLN HG3 1 57 VAL QG . . 4.480 2.854 2.019 3.379 . 0 0 "[ . 1 . 2]" 2
1332 1 45 GLN QE 1 57 VAL QG . . 3.300 1.957 1.567 3.310 0.010 12 0 "[ . 1 . 2]" 2
1333 1 46 ASP QB 1 47 CYS HA . . 4.590 4.038 3.738 4.356 . 0 0 "[ . 1 . 2]" 2
1334 1 46 ASP QB 1 48 HIS H . . 4.890 4.509 4.364 4.719 . 0 0 "[ . 1 . 2]" 2
1335 1 48 HIS HE1 1 50 PRO QG . . 4.040 2.751 2.654 2.834 . 0 0 "[ . 1 . 2]" 2
1336 1 49 LYS H 1 49 LYS QG . . 3.470 3.091 2.934 3.717 0.247 7 0 "[ . 1 . 2]" 2
1337 1 49 LYS HA 1 49 LYS QG . . 3.450 2.374 2.111 3.177 . 0 0 "[ . 1 . 2]" 2
1338 1 49 LYS QB 1 49 LYS QG . . 2.410 2.032 1.997 2.081 . 0 0 "[ . 1 . 2]" 2
1339 1 49 LYS QG 1 50 PRO HD2 . . 4.460 4.036 3.156 4.280 . 0 0 "[ . 1 . 2]" 2
1340 1 50 PRO QG 1 67 ALA MB . . 4.990 4.057 3.798 4.299 . 0 0 "[ . 1 . 2]" 2
1341 1 51 GLN QE 1 51 GLN HG2 . . 3.470 2.629 2.113 3.314 . 0 0 "[ . 1 . 2]" 2
1342 1 52 VAL MG1 1 56 GLU QG . . 4.660 3.430 2.648 4.083 . 0 0 "[ . 1 . 2]" 2
1343 1 52 VAL MG1 1 57 VAL QG . . 3.150 2.399 1.830 3.169 0.019 5 0 "[ . 1 . 2]" 2
1344 1 53 THR H 1 56 GLU QB . . 4.110 3.037 2.656 3.350 . 0 0 "[ . 1 . 2]" 2
1345 1 53 THR H 1 56 GLU QG . . 3.740 3.329 2.835 3.748 0.008 4 0 "[ . 1 . 2]" 2
1346 1 54 ASP HA 1 57 VAL QG . . 3.210 2.091 1.869 2.434 . 0 0 "[ . 1 . 2]" 2
1347 1 54 ASP HA 1 58 ASN QD . . 4.900 3.512 2.786 4.186 . 0 0 "[ . 1 . 2]" 2
1348 1 54 ASP QB 1 57 VAL QG . . 3.790 3.357 3.022 3.807 0.017 19 0 "[ . 1 . 2]" 2
1349 1 54 ASP QB 1 58 ASN QD . . 3.530 2.574 1.795 3.441 . 0 0 "[ . 1 . 2]" 2
1350 1 55 LYS H 1 55 LYS QB . . 2.860 2.248 2.114 2.904 0.044 2 0 "[ . 1 . 2]" 2
1351 1 55 LYS H 1 57 VAL QG . . 4.810 4.334 3.979 4.807 . 0 0 "[ . 1 . 2]" 2
1352 1 55 LYS HA 1 58 ASN QB . . 3.740 2.589 2.162 2.963 . 0 0 "[ . 1 . 2]" 2
1353 1 55 LYS HA 1 58 ASN QD . . 5.070 3.010 1.886 4.315 . 0 0 "[ . 1 . 2]" 2
1354 1 56 GLU H 1 56 GLU QG . . 2.910 2.737 2.500 2.913 0.003 4 0 "[ . 1 . 2]" 2
1355 1 56 GLU H 1 57 VAL QG . . 4.240 3.695 3.446 4.194 . 0 0 "[ . 1 . 2]" 2
1356 1 56 GLU H 1 62 LEU QD . . 4.680 4.429 4.153 4.693 0.013 10 0 "[ . 1 . 2]" 2
1357 1 56 GLU HA 1 56 GLU QG . . 2.930 2.548 2.133 2.979 0.049 11 0 "[ . 1 . 2]" 2
1358 1 56 GLU HA 1 59 ASP QB . . 3.800 3.105 2.795 3.458 . 0 0 "[ . 1 . 2]" 2
1359 1 56 GLU HA 1 62 LEU QD . . 4.480 2.368 1.951 2.965 . 0 0 "[ . 1 . 2]" 2
1360 1 56 GLU QB 1 57 VAL H . . 2.820 2.225 2.021 2.562 . 0 0 "[ . 1 . 2]" 2
1361 1 56 GLU QB 1 57 VAL QG . . 4.250 3.109 2.795 4.065 . 0 0 "[ . 1 . 2]" 2
1362 1 56 GLU QB 1 58 ASN H . . 4.810 4.262 3.994 4.536 . 0 0 "[ . 1 . 2]" 2
1363 1 56 GLU QB 1 62 LEU QD . . 3.110 2.410 2.092 2.708 . 0 0 "[ . 1 . 2]" 2
1364 1 56 GLU QB 1 64 TRP HD1 . . 4.520 3.481 3.085 4.048 . 0 0 "[ . 1 . 2]" 2
1365 1 56 GLU QG 1 57 VAL H . . 4.250 4.070 3.882 4.285 0.035 17 0 "[ . 1 . 2]" 2
1366 1 56 GLU QG 1 62 LEU QD . . 4.530 2.917 1.922 3.382 . 0 0 "[ . 1 . 2]" 2
1367 1 56 GLU QG 1 64 TRP HD1 . . 5.340 4.408 3.731 5.166 . 0 0 "[ . 1 . 2]" 2
1368 1 57 VAL H 1 57 VAL QG . . 2.900 2.029 1.759 2.768 . 0 0 "[ . 1 . 2]" 2
1369 1 57 VAL HA 1 57 VAL QG . . 2.980 2.240 2.095 2.382 . 0 0 "[ . 1 . 2]" 2
1370 1 57 VAL HA 1 62 LEU QD . . 4.300 3.447 2.714 3.944 . 0 0 "[ . 1 . 2]" 2
1371 1 57 VAL QG 1 58 ASN H . . 3.650 2.202 1.856 3.311 . 0 0 "[ . 1 . 2]" 2
1372 1 57 VAL QG 1 58 ASN QB . . 4.530 3.546 3.282 4.515 . 0 0 "[ . 1 . 2]" 2
1373 1 57 VAL QG 1 58 ASN QD . . 4.200 2.777 1.835 3.555 . 0 0 "[ . 1 . 2]" 2
1374 1 58 ASN H 1 58 ASN QB . . 2.960 2.212 2.134 2.482 . 0 0 "[ . 1 . 2]" 2
1375 1 58 ASN H 1 58 ASN QD . . 3.280 2.727 2.030 3.291 0.011 19 0 "[ . 1 . 2]" 2
1376 1 58 ASN H 1 59 ASP QB . . 4.800 4.419 4.270 4.679 . 0 0 "[ . 1 . 2]" 2
1377 1 58 ASN QB 1 58 ASN QD . . 3.070 2.226 2.063 2.589 . 0 0 "[ . 1 . 2]" 2
1378 1 58 ASN QB 1 59 ASP H . . 3.490 2.529 2.334 2.743 . 0 0 "[ . 1 . 2]" 2
1379 1 59 ASP H 1 59 ASP QB . . 3.050 2.240 2.136 2.637 . 0 0 "[ . 1 . 2]" 2
1380 1 59 ASP H 1 62 LEU QB . . 4.890 4.126 3.816 4.314 . 0 0 "[ . 1 . 2]" 2
1381 1 59 ASP H 1 62 LEU QD . . 5.280 3.602 3.276 4.096 . 0 0 "[ . 1 . 2]" 2
1382 1 59 ASP QB 1 60 PRO HD2 . . 4.620 3.740 3.491 3.961 . 0 0 "[ . 1 . 2]" 2
1383 1 59 ASP QB 1 60 PRO HD3 . . 5.050 4.414 4.329 4.482 . 0 0 "[ . 1 . 2]" 2
1384 1 59 ASP QB 1 61 ARG H . . 4.880 3.890 3.161 4.356 . 0 0 "[ . 1 . 2]" 2
1385 1 59 ASP QB 1 62 LEU H . . 4.010 3.366 2.961 3.645 . 0 0 "[ . 1 . 2]" 2
1386 1 59 ASP QB 1 62 LEU QB . . 3.050 1.803 1.714 1.912 . 0 0 "[ . 1 . 2]" 2
1387 1 59 ASP QB 1 62 LEU HG . . 4.710 4.026 3.706 4.283 . 0 0 "[ . 1 . 2]" 2
1388 1 59 ASP QB 1 62 LEU QD . . 3.450 2.171 1.893 2.592 . 0 0 "[ . 1 . 2]" 2
1389 1 60 PRO QB 1 61 ARG H . . 4.080 3.164 2.973 3.553 . 0 0 "[ . 1 . 2]" 2
1390 1 60 PRO QB 1 61 ARG QG . . 5.030 3.513 2.970 4.296 . 0 0 "[ . 1 . 2]" 2
1391 1 61 ARG H 1 61 ARG QB . . 3.040 2.617 2.483 2.922 . 0 0 "[ . 1 . 2]" 2
1392 1 61 ARG H 1 62 LEU QB . . 4.550 4.022 3.824 4.148 . 0 0 "[ . 1 . 2]" 2
1393 1 61 ARG H 1 62 LEU QD . . 5.440 5.219 5.128 5.307 . 0 0 "[ . 1 . 2]" 2
1394 1 61 ARG QB 1 61 ARG QD . . 2.790 2.230 2.041 2.568 . 0 0 "[ . 1 . 2]" 2
1395 1 62 LEU H 1 62 LEU QB . . 2.630 2.275 2.206 2.361 . 0 0 "[ . 1 . 2]" 2
1396 1 62 LEU H 1 62 LEU QD . . 4.100 3.743 3.241 3.869 . 0 0 "[ . 1 . 2]" 2
1397 1 62 LEU H 1 63 VAL QG . . 5.440 5.011 4.609 5.449 0.009 16 0 "[ . 1 . 2]" 2
1398 1 62 LEU HA 1 62 LEU QD . . 3.030 2.545 2.183 3.235 0.205 13 0 "[ . 1 . 2]" 2
1399 1 62 LEU HA 1 63 VAL QG . . 4.070 3.577 3.125 3.688 . 0 0 "[ . 1 . 2]" 2
1400 1 62 LEU QB 1 62 LEU QD . . 2.580 1.857 1.787 1.942 . 0 0 "[ . 1 . 2]" 2
1401 1 62 LEU QB 1 63 VAL H . . 4.210 3.605 3.387 3.757 . 0 0 "[ . 1 . 2]" 2
1402 1 62 LEU QD 1 63 VAL H . . 3.120 2.409 1.884 3.145 0.025 11 0 "[ . 1 . 2]" 2
1403 1 62 LEU QD 1 64 TRP H . . 4.630 3.918 2.922 4.231 . 0 0 "[ . 1 . 2]" 2
1404 1 62 LEU QD 1 64 TRP HB2 . . 4.710 2.987 1.970 3.685 . 0 0 "[ . 1 . 2]" 2
1405 1 62 LEU QD 1 64 TRP HD1 . . 3.710 3.060 2.821 3.327 . 0 0 "[ . 1 . 2]" 2
1406 1 63 VAL H 1 63 VAL QG . . 3.010 2.215 1.843 2.721 . 0 0 "[ . 1 . 2]" 2
1407 1 63 VAL QG 1 64 TRP H . . 3.190 2.977 2.755 3.270 0.080 11 0 "[ . 1 . 2]" 2
1408 1 63 VAL QG 1 65 TYR H . . 5.440 4.455 4.073 5.283 . 0 0 "[ . 1 . 2]" 2
1409 1 63 VAL QG 1 65 TYR QB . . 5.280 4.141 3.721 5.154 . 0 0 "[ . 1 . 2]" 2
1410 1 63 VAL QG 1 65 TYR QD . . 4.680 3.090 2.684 4.183 . 0 0 "[ . 1 . 2]" 2
1411 1 63 VAL QG 1 65 TYR QE . . 3.670 2.255 1.957 3.286 . 0 0 "[ . 1 . 2]" 2
1412 1 65 TYR QB 1 66 CYS H . . 3.980 3.062 2.602 3.443 . 0 0 "[ . 1 . 2]" 2
1413 1 65 TYR QB 1 69 CYS QB . . 4.740 3.353 2.445 4.041 . 0 0 "[ . 1 . 2]" 2
1414 1 65 TYR QB 1 70 THR H . . 4.100 3.266 3.031 3.526 . 0 0 "[ . 1 . 2]" 2
1415 1 65 TYR QB 1 70 THR HA . . 4.740 3.540 3.249 3.924 . 0 0 "[ . 1 . 2]" 2
1416 1 65 TYR QB 1 70 THR MG . . 3.970 3.740 3.348 3.991 0.021 3 0 "[ . 1 . 2]" 2
1417 1 65 TYR QD 1 69 CYS QB . . 4.610 3.636 3.002 4.070 . 0 0 "[ . 1 . 2]" 2
1418 1 66 CYS H 1 69 CYS QB . . 3.880 3.766 3.303 4.100 0.220 15 0 "[ . 1 . 2]" 2
1419 1 67 ALA MB 1 68 ARG QB . . 5.160 4.151 4.058 4.211 . 0 0 "[ . 1 . 2]" 2
1420 1 68 ARG H 1 68 ARG QB . . 3.260 2.315 2.268 2.386 . 0 0 "[ . 1 . 2]" 2
1421 1 68 ARG QB 1 68 ARG HG2 . . 2.540 2.438 2.375 2.484 . 0 0 "[ . 1 . 2]" 2
1422 1 68 ARG QB 1 68 ARG HG3 . . 2.600 2.153 2.139 2.201 . 0 0 "[ . 1 . 2]" 2
1423 1 68 ARG QB 1 70 THR H . . 5.340 4.625 4.415 4.818 . 0 0 "[ . 1 . 2]" 2
1424 1 69 CYS H 1 69 CYS QB . . 3.160 2.566 2.349 2.745 . 0 0 "[ . 1 . 2]" 2
1425 1 69 CYS H 1 71 ARG QG . . 5.340 4.247 3.940 5.051 . 0 0 "[ . 1 . 2]" 2
1426 1 69 CYS QB 1 72 GLN H . . 4.850 4.510 4.386 4.564 . 0 0 "[ . 1 . 2]" 2
1427 1 69 CYS QB 1 73 MET ME . . 3.680 2.206 1.938 2.428 . 0 0 "[ . 1 . 2]" 2
1428 1 70 THR H 1 71 ARG QG . . 5.340 4.259 4.108 4.462 . 0 0 "[ . 1 . 2]" 2
1429 1 70 THR MG 1 74 LYS QG . . 4.570 2.685 2.114 3.767 . 0 0 "[ . 1 . 2]" 2
1430 1 71 ARG H 1 71 ARG QG . . 3.000 2.210 1.857 2.493 . 0 0 "[ . 1 . 2]" 2
1431 1 71 ARG H 1 71 ARG QD . . 4.750 3.890 3.101 4.367 . 0 0 "[ . 1 . 2]" 2
1432 1 71 ARG HA 1 71 ARG QG . . 3.570 3.287 2.610 3.434 . 0 0 "[ . 1 . 2]" 2
1433 1 71 ARG QB 1 71 ARG QG . . 2.440 2.065 2.020 2.087 . 0 0 "[ . 1 . 2]" 2
1434 1 71 ARG QB 1 71 ARG QD . . 3.500 2.279 2.017 2.556 . 0 0 "[ . 1 . 2]" 2
1435 1 71 ARG QD 1 71 ARG QG . . 2.310 2.021 1.962 2.090 . 0 0 "[ . 1 . 2]" 2
1436 1 71 ARG QG 1 72 GLN H . . 4.240 2.285 1.981 3.948 . 0 0 "[ . 1 . 2]" 2
1437 1 71 ARG QG 1 72 GLN QG . . 5.250 2.600 2.036 4.737 . 0 0 "[ . 1 . 2]" 2
1438 1 74 LYS H 1 74 LYS QG . . 3.410 2.596 2.257 2.857 . 0 0 "[ . 1 . 2]" 2
1439 1 74 LYS HA 1 74 LYS QG . . 3.110 2.497 2.134 3.265 0.155 3 0 "[ . 1 . 2]" 2
1440 1 74 LYS QE 1 74 LYS QG . . 3.060 2.190 2.049 2.554 . 0 0 "[ . 1 . 2]" 2
1441 1 75 ARG QG 1 76 MET H . . 3.970 2.467 1.840 3.931 . 0 0 "[ . 1 . 2]" 2
1442 1 76 MET H 1 76 MET QB . . 3.520 2.522 2.173 3.397 . 0 0 "[ . 1 . 2]" 2
1443 1 76 MET QB 1 77 ALA H . . 4.090 3.470 2.579 4.039 . 0 0 "[ . 1 . 2]" 2
1444 1 76 MET QB 1 77 ALA HA . . 4.770 4.326 3.953 4.793 0.023 11 0 "[ . 1 . 2]" 2
1445 1 76 MET QB 1 77 ALA MB . . 5.340 4.221 3.449 5.119 . 0 0 "[ . 1 . 2]" 2
1446 1 77 ALA HA 1 78 GLN QB . . 5.180 4.853 4.124 5.074 . 0 0 "[ . 1 . 2]" 2
1447 1 77 ALA MB 1 78 GLN QB . . 5.340 4.792 3.677 5.194 . 0 0 "[ . 1 . 2]" 2
1448 1 78 GLN H 1 78 GLN QB . . 3.150 2.654 2.302 3.183 0.033 19 0 "[ . 1 . 2]" 2
1449 1 78 GLN QB 1 79 LYS H . . 4.250 3.038 2.267 4.045 . 0 0 "[ . 1 . 2]" 2
1450 1 81 GLN H 1 81 GLN QB . . 3.020 2.578 2.222 3.010 . 0 0 "[ . 1 . 2]" 2
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