NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506399 |
1x4w   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4w
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 163
_Distance_constraint_stats_list.Viol_total 8.389
_Distance_constraint_stats_list.Viol_max 0.013
_Distance_constraint_stats_list.Viol_rms 0.0017
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0026
_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 18 CYS 0.099 0.009 20 0 "[ . 1 . 2]"
1 21 CYS 0.064 0.007 20 0 "[ . 1 . 2]"
1 35 CYS 0.063 0.006 13 0 "[ . 1 . 2]"
1 37 CYS 0.015 0.006 19 0 "[ . 1 . 2]"
1 42 CYS 0.114 0.013 20 0 "[ . 1 . 2]"
1 45 HIS 0.063 0.007 20 0 "[ . 1 . 2]"
1 51 HIS 0.024 0.006 19 0 "[ . 1 . 2]"
1 53 CYS 0.045 0.006 13 0 "[ . 1 . 2]"
2 1 ZN 0.264 0.013 20 0 "[ . 1 . 2]"
3 1 ZN 0.087 0.005 14 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 18 CYS SG 2 1 ZN ZN . 2.330 2.370 2.352 2.328 2.376 0.006 19 0 "[ . 1 . 2]" 1
2 1 21 CYS SG 2 1 ZN ZN . 2.330 2.370 2.329 2.323 2.346 0.007 20 0 "[ . 1 . 2]" 1
3 1 42 CYS SG 2 1 ZN ZN . 2.330 2.370 2.328 2.320 2.342 0.010 20 0 "[ . 1 . 2]" 1
4 1 45 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.332 2.323 2.372 0.007 20 0 "[ . 1 . 2]" 1
5 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.250 3.241 3.268 0.009 20 0 "[ . 1 . 2]" 1
6 1 21 CYS CB 2 1 ZN ZN . 3.250 3.510 3.441 3.294 3.517 0.007 20 0 "[ . 1 . 2]" 1
7 1 42 CYS CB 2 1 ZN ZN . 3.250 3.510 3.496 3.436 3.523 0.013 20 0 "[ . 1 . 2]" 1
8 1 18 CYS SG 1 21 CYS SG . 3.200 4.000 3.570 3.469 3.716 . 0 0 "[ . 1 . 2]" 1
9 1 18 CYS SG 1 42 CYS SG . 3.200 4.000 3.994 3.960 4.006 0.006 20 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 45 HIS ND1 . 3.200 4.000 3.922 3.783 4.003 0.003 7 0 "[ . 1 . 2]" 1
11 1 21 CYS SG 1 45 HIS ND1 . 3.200 4.000 3.966 3.832 4.005 0.005 8 0 "[ . 1 . 2]" 1
12 1 21 CYS SG 1 42 CYS SG . 3.200 4.000 3.628 3.514 3.850 . 0 0 "[ . 1 . 2]" 1
13 1 42 CYS SG 1 45 HIS ND1 . 3.200 4.000 3.744 3.616 3.876 . 0 0 "[ . 1 . 2]" 1
14 1 35 CYS SG 3 1 ZN ZN . 2.330 2.370 2.357 2.328 2.374 0.004 20 0 "[ . 1 . 2]" 1
15 1 37 CYS SG 3 1 ZN ZN . 2.330 2.370 2.339 2.327 2.362 0.003 19 0 "[ . 1 . 2]" 1
16 1 51 HIS NE2 3 1 ZN ZN . 2.330 2.370 2.335 2.327 2.372 0.003 11 0 "[ . 1 . 2]" 1
17 1 53 CYS SG 3 1 ZN ZN . 2.330 2.370 2.331 2.325 2.350 0.005 14 0 "[ . 1 . 2]" 1
18 1 35 CYS CB 3 1 ZN ZN . 3.250 3.510 3.249 3.245 3.254 0.005 6 0 "[ . 1 . 2]" 1
19 1 37 CYS CB 3 1 ZN ZN . 3.250 3.510 3.281 3.250 3.344 0.000 20 0 "[ . 1 . 2]" 1
20 1 53 CYS CB 3 1 ZN ZN . 3.250 3.510 3.272 3.248 3.359 0.002 19 0 "[ . 1 . 2]" 1
21 1 35 CYS SG 1 37 CYS SG . 3.200 4.000 3.862 3.728 3.970 . 0 0 "[ . 1 . 2]" 1
22 1 35 CYS SG 1 53 CYS SG . 3.200 4.000 3.998 3.978 4.006 0.006 13 0 "[ . 1 . 2]" 1
23 1 35 CYS SG 1 51 HIS NE2 . 3.200 4.000 3.599 3.489 3.795 . 0 0 "[ . 1 . 2]" 1
24 1 37 CYS SG 1 51 HIS NE2 . 3.200 4.000 3.993 3.970 4.006 0.006 19 0 "[ . 1 . 2]" 1
25 1 37 CYS SG 1 53 CYS SG . 3.200 4.000 3.874 3.761 3.998 . 0 0 "[ . 1 . 2]" 1
26 1 51 HIS NE2 1 53 CYS SG . 3.200 4.000 3.535 3.425 3.615 . 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 1011
_Distance_constraint_stats_list.Viol_count 488
_Distance_constraint_stats_list.Viol_total 125.898
_Distance_constraint_stats_list.Viol_max 0.161
_Distance_constraint_stats_list.Viol_rms 0.0033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0129
_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 11 LYS 0.400 0.041 10 0 "[ . 1 . 2]"
1 12 GLN 0.093 0.063 10 0 "[ . 1 . 2]"
1 14 SER 0.002 0.002 19 0 "[ . 1 . 2]"
1 15 ARG 0.312 0.076 17 0 "[ . 1 . 2]"
1 16 ARG 0.152 0.042 16 0 "[ . 1 . 2]"
1 17 ARG 0.256 0.040 15 0 "[ . 1 . 2]"
1 18 CYS 1.059 0.063 10 0 "[ . 1 . 2]"
1 19 PHE 0.244 0.026 12 0 "[ . 1 . 2]"
1 20 GLN 0.340 0.036 10 0 "[ . 1 . 2]"
1 21 CYS 0.218 0.031 5 0 "[ . 1 . 2]"
1 22 GLN 0.203 0.043 3 0 "[ . 1 . 2]"
1 23 THR 0.261 0.038 18 0 "[ . 1 . 2]"
1 24 LYS 0.334 0.135 15 0 "[ . 1 . 2]"
1 25 LEU 0.587 0.060 15 0 "[ . 1 . 2]"
1 26 GLU 0.222 0.148 18 0 "[ . 1 . 2]"
1 27 LEU 0.256 0.034 3 0 "[ . 1 . 2]"
1 28 VAL 0.097 0.047 18 0 "[ . 1 . 2]"
1 29 GLN 0.287 0.039 20 0 "[ . 1 . 2]"
1 30 GLN 0.582 0.051 3 0 "[ . 1 . 2]"
1 31 GLU 0.047 0.020 20 0 "[ . 1 . 2]"
1 32 LEU 0.266 0.039 20 0 "[ . 1 . 2]"
1 33 GLY 0.051 0.011 16 0 "[ . 1 . 2]"
1 34 SER 0.128 0.017 11 0 "[ . 1 . 2]"
1 35 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 0.158 0.039 7 0 "[ . 1 . 2]"
1 37 CYS 0.099 0.017 11 0 "[ . 1 . 2]"
1 38 GLY 0.003 0.002 16 0 "[ . 1 . 2]"
1 39 TYR 0.510 0.041 10 0 "[ . 1 . 2]"
1 40 VAL 0.811 0.076 17 0 "[ . 1 . 2]"
1 41 PHE 0.235 0.057 17 0 "[ . 1 . 2]"
1 42 CYS 0.681 0.048 20 0 "[ . 1 . 2]"
1 43 MET 0.133 0.032 18 0 "[ . 1 . 2]"
1 44 LEU 0.090 0.032 18 0 "[ . 1 . 2]"
1 45 HIS 0.222 0.031 20 0 "[ . 1 . 2]"
1 46 ARG 0.154 0.018 2 0 "[ . 1 . 2]"
1 47 LEU 0.320 0.034 11 0 "[ . 1 . 2]"
1 48 PRO 0.153 0.025 9 0 "[ . 1 . 2]"
1 49 GLU 0.237 0.042 11 0 "[ . 1 . 2]"
1 50 GLN 0.199 0.034 11 0 "[ . 1 . 2]"
1 51 HIS 0.089 0.011 13 0 "[ . 1 . 2]"
1 52 ASP 0.011 0.011 2 0 "[ . 1 . 2]"
1 53 CYS 0.087 0.020 11 0 "[ . 1 . 2]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PHE 0.031 0.005 10 0 "[ . 1 . 2]"
1 56 ASP 0.008 0.005 3 0 "[ . 1 . 2]"
1 57 HIS 0.168 0.030 18 0 "[ . 1 . 2]"
1 58 MET 0.237 0.055 9 0 "[ . 1 . 2]"
1 60 ARG 0.212 0.161 19 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 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 19 PHE HA 1 22 GLN HE21 . . 4.550 2.730 2.277 4.353 . 0 0 "[ . 1 . 2]" 2
2 1 19 PHE HA 1 22 GLN HE22 . . 4.550 2.862 1.901 4.117 . 0 0 "[ . 1 . 2]" 2
3 1 35 CYS H 1 37 CYS H . . 5.430 5.318 5.226 5.365 . 0 0 "[ . 1 . 2]" 2
4 1 35 CYS H 1 41 PHE QD . . 4.940 4.612 4.329 4.829 . 0 0 "[ . 1 . 2]" 2
5 1 35 CYS H 1 41 PHE QE . . 4.700 4.318 4.009 4.516 . 0 0 "[ . 1 . 2]" 2
6 1 35 CYS H 1 40 VAL HA . . 3.580 3.122 3.009 3.302 . 0 0 "[ . 1 . 2]" 2
7 1 34 SER HB2 1 35 CYS H . . 3.550 2.841 2.723 3.002 . 0 0 "[ . 1 . 2]" 2
8 1 35 CYS H 1 35 CYS QB . . 3.070 2.558 2.520 2.616 . 0 0 "[ . 1 . 2]" 2
9 1 35 CYS H 1 40 VAL MG2 . . 3.920 3.164 2.971 3.350 . 0 0 "[ . 1 . 2]" 2
10 1 35 CYS H 1 38 GLY H . . 4.670 4.263 4.121 4.363 . 0 0 "[ . 1 . 2]" 2
11 1 34 SER H 1 35 CYS H . . 4.710 4.636 4.615 4.646 . 0 0 "[ . 1 . 2]" 2
12 1 51 HIS H 1 51 HIS HD1 . . 4.110 2.765 2.671 2.853 . 0 0 "[ . 1 . 2]" 2
13 1 50 GLN H 1 51 HIS H . . 2.800 2.639 2.466 2.730 . 0 0 "[ . 1 . 2]" 2
14 1 49 GLU HA 1 51 HIS H . . 4.510 4.345 4.261 4.447 . 0 0 "[ . 1 . 2]" 2
15 1 51 HIS H 1 51 HIS HB2 . . 4.000 3.731 3.715 3.743 . 0 0 "[ . 1 . 2]" 2
16 1 48 PRO HA 1 51 HIS H . . 4.160 3.540 3.488 3.628 . 0 0 "[ . 1 . 2]" 2
17 1 51 HIS H 1 53 CYS HB2 . . 4.430 4.408 4.267 4.436 0.006 5 0 "[ . 1 . 2]" 2
18 1 51 HIS H 1 51 HIS HB3 . . 3.510 2.989 2.938 3.034 . 0 0 "[ . 1 . 2]" 2
19 1 49 GLU QB 1 51 HIS H . . 5.460 5.243 5.185 5.324 . 0 0 "[ . 1 . 2]" 2
20 1 49 GLU H 1 51 HIS H . . 4.770 4.446 4.395 4.520 . 0 0 "[ . 1 . 2]" 2
21 1 12 GLN HE21 1 19 PHE QB . . 4.330 2.808 2.146 3.531 . 0 0 "[ . 1 . 2]" 2
22 1 12 GLN HE22 1 15 ARG HA . . 4.580 2.979 1.926 4.207 . 0 0 "[ . 1 . 2]" 2
23 1 12 GLN HE22 1 19 PHE QB . . 4.330 2.796 1.881 3.703 . 0 0 "[ . 1 . 2]" 2
24 1 12 GLN HE22 1 40 VAL HB . . 4.410 2.729 1.906 3.454 . 0 0 "[ . 1 . 2]" 2
25 1 12 GLN HE22 1 40 VAL MG2 . . 4.840 3.897 3.058 4.636 . 0 0 "[ . 1 . 2]" 2
26 1 12 GLN HE21 1 40 VAL HB . . 4.410 3.409 2.762 3.904 . 0 0 "[ . 1 . 2]" 2
27 1 55 PHE H 1 56 ASP H . . 4.720 4.623 4.573 4.646 . 0 0 "[ . 1 . 2]" 2
28 1 55 PHE H 1 55 PHE QD . . 4.280 3.917 3.862 4.036 . 0 0 "[ . 1 . 2]" 2
29 1 53 CYS HA 1 55 PHE H . . 3.980 3.918 3.781 3.960 . 0 0 "[ . 1 . 2]" 2
30 1 37 CYS HB3 1 55 PHE H . . 3.350 2.758 2.628 2.899 . 0 0 "[ . 1 . 2]" 2
31 1 55 PHE H 1 55 PHE HB3 . . 3.020 2.901 2.803 2.935 . 0 0 "[ . 1 . 2]" 2
32 1 55 PHE H 1 55 PHE HB2 . . 3.000 2.216 2.190 2.292 . 0 0 "[ . 1 . 2]" 2
33 1 53 CYS HB3 1 55 PHE H . . 4.140 3.977 3.720 4.144 0.004 16 0 "[ . 1 . 2]" 2
34 1 54 THR MG 1 55 PHE H . . 4.310 2.168 2.028 2.288 . 0 0 "[ . 1 . 2]" 2
35 1 23 THR H 1 24 LYS H . . 4.820 4.565 4.518 4.602 . 0 0 "[ . 1 . 2]" 2
36 1 23 THR HA 1 24 LYS H . . 2.520 2.243 2.162 2.380 . 0 0 "[ . 1 . 2]" 2
37 1 24 LYS H 1 24 LYS QB . . 2.770 2.357 2.189 2.552 . 0 0 "[ . 1 . 2]" 2
38 1 23 THR MG 1 24 LYS H . . 3.570 3.438 3.094 3.569 . 0 0 "[ . 1 . 2]" 2
39 1 29 GLN HE21 1 33 GLY HA3 . . 4.580 3.850 3.091 4.413 . 0 0 "[ . 1 . 2]" 2
40 1 29 GLN HE21 1 43 MET HB2 . . 4.430 3.182 2.547 3.836 . 0 0 "[ . 1 . 2]" 2
41 1 29 GLN HE22 1 33 GLY HA3 . . 4.580 3.643 1.897 4.274 . 0 0 "[ . 1 . 2]" 2
42 1 29 GLN HE22 1 29 GLN QG . . 3.790 3.347 3.218 3.409 . 0 0 "[ . 1 . 2]" 2
43 1 29 GLN HE22 1 43 MET HB2 . . 4.430 2.603 1.993 4.223 . 0 0 "[ . 1 . 2]" 2
44 1 47 LEU MD1 1 50 GLN HE21 . . 4.370 2.854 1.868 4.377 0.007 2 0 "[ . 1 . 2]" 2
45 1 47 LEU MD1 1 50 GLN HE22 . . 4.370 4.022 2.916 4.390 0.020 9 0 "[ . 1 . 2]" 2
46 1 16 ARG HA 1 30 GLN HE22 . . 4.580 3.851 2.885 4.459 . 0 0 "[ . 1 . 2]" 2
47 1 27 LEU MD2 1 30 GLN HE22 . . 4.780 3.189 2.635 4.230 . 0 0 "[ . 1 . 2]" 2
48 1 16 ARG HA 1 30 GLN HE21 . . 4.580 3.893 3.128 4.520 . 0 0 "[ . 1 . 2]" 2
49 1 27 LEU HA 1 30 GLN HE21 . . 4.740 2.977 2.048 4.751 0.011 14 0 "[ . 1 . 2]" 2
50 1 27 LEU HA 1 30 GLN HE22 . . 4.740 3.532 2.725 4.414 . 0 0 "[ . 1 . 2]" 2
51 1 27 LEU MD2 1 30 GLN HE21 . . 4.780 3.390 2.689 4.293 . 0 0 "[ . 1 . 2]" 2
52 1 26 GLU HB2 1 27 LEU H . . 4.890 3.809 2.594 4.078 . 0 0 "[ . 1 . 2]" 2
53 1 27 LEU H 1 27 LEU QB . . 3.750 2.209 2.087 2.370 . 0 0 "[ . 1 . 2]" 2
54 1 26 GLU HB3 1 27 LEU H . . 4.890 2.705 2.319 3.704 . 0 0 "[ . 1 . 2]" 2
55 1 20 GLN HE21 1 51 HIS HA . . 4.630 3.724 2.982 4.640 0.010 2 0 "[ . 1 . 2]" 2
56 1 20 GLN HE22 1 20 GLN QG . . 3.750 3.265 3.216 3.386 . 0 0 "[ . 1 . 2]" 2
57 1 20 GLN HE22 1 51 HIS HA . . 4.630 3.755 1.894 4.632 0.002 8 0 "[ . 1 . 2]" 2
58 1 18 CYS H 1 25 LEU H . . 4.770 4.659 4.370 4.830 0.060 15 0 "[ . 1 . 2]" 2
59 1 17 ARG HA 1 25 LEU H . . 3.320 3.039 2.675 3.290 . 0 0 "[ . 1 . 2]" 2
60 1 24 LYS HA 1 25 LEU H . . 2.590 2.156 2.141 2.236 . 0 0 "[ . 1 . 2]" 2
61 1 25 LEU H 1 25 LEU HG . . 2.820 2.539 2.393 2.758 . 0 0 "[ . 1 . 2]" 2
62 1 17 ARG HG2 1 25 LEU H . . 3.990 3.569 3.010 3.879 . 0 0 "[ . 1 . 2]" 2
63 1 25 LEU H 1 25 LEU MD2 . . 3.830 3.724 3.568 3.832 0.002 4 0 "[ . 1 . 2]" 2
64 1 25 LEU H 1 25 LEU MD1 . . 3.920 3.632 3.430 3.812 . 0 0 "[ . 1 . 2]" 2
65 1 25 LEU H 1 26 GLU H . . 4.660 4.369 4.233 4.483 . 0 0 "[ . 1 . 2]" 2
66 1 24 LYS QB 1 25 LEU H . . 3.480 3.235 2.873 3.376 . 0 0 "[ . 1 . 2]" 2
67 1 25 LEU H 1 25 LEU HB3 . . 3.840 3.730 3.694 3.804 . 0 0 "[ . 1 . 2]" 2
68 1 55 PHE QD 1 56 ASP H . . 4.270 2.852 2.158 3.186 . 0 0 "[ . 1 . 2]" 2
69 1 55 PHE HA 1 56 ASP H . . 2.880 2.437 2.308 2.588 . 0 0 "[ . 1 . 2]" 2
70 1 55 PHE HB3 1 56 ASP H . . 4.050 3.175 2.816 3.584 . 0 0 "[ . 1 . 2]" 2
71 1 55 PHE HB2 1 56 ASP H . . 4.240 3.934 3.760 4.086 . 0 0 "[ . 1 . 2]" 2
72 1 56 ASP H 1 56 ASP HB2 . . 3.740 2.813 2.378 3.699 . 0 0 "[ . 1 . 2]" 2
73 1 56 ASP H 1 56 ASP HB3 . . 3.740 3.317 2.677 3.745 0.005 3 0 "[ . 1 . 2]" 2
74 1 25 LEU HA 1 26 GLU H . . 2.800 2.148 2.139 2.174 . 0 0 "[ . 1 . 2]" 2
75 1 26 GLU H 1 29 GLN QB . . 3.480 2.233 2.054 2.575 . 0 0 "[ . 1 . 2]" 2
76 1 25 LEU MD2 1 26 GLU H . . 3.950 3.875 3.780 3.973 0.023 18 0 "[ . 1 . 2]" 2
77 1 26 GLU H 1 26 GLU HG2 . . 4.060 3.336 1.829 4.061 0.001 10 0 "[ . 1 . 2]" 2
78 1 25 LEU HB2 1 26 GLU H . . 4.320 4.136 4.007 4.231 . 0 0 "[ . 1 . 2]" 2
79 1 25 LEU HB3 1 26 GLU H . . 3.740 3.375 3.136 3.518 . 0 0 "[ . 1 . 2]" 2
80 1 36 ARG H 1 38 GLY H . . 4.250 4.136 4.047 4.252 0.002 16 0 "[ . 1 . 2]" 2
81 1 35 CYS QB 1 38 GLY H . . 3.340 2.825 2.729 2.878 . 0 0 "[ . 1 . 2]" 2
82 1 57 HIS H 1 57 HIS HD2 . . 5.000 2.997 2.054 4.438 . 0 0 "[ . 1 . 2]" 2
83 1 34 SER H 1 41 PHE H . . 4.560 4.177 4.050 4.366 . 0 0 "[ . 1 . 2]" 2
84 1 41 PHE H 1 41 PHE QD . . 3.940 2.540 2.032 2.799 . 0 0 "[ . 1 . 2]" 2
85 1 40 VAL HA 1 41 PHE H . . 2.770 2.154 2.145 2.163 . 0 0 "[ . 1 . 2]" 2
86 1 33 GLY HA3 1 41 PHE H . . 3.880 3.356 3.123 3.526 . 0 0 "[ . 1 . 2]" 2
87 1 33 GLY HA2 1 41 PHE H . . 4.260 4.056 3.714 4.255 . 0 0 "[ . 1 . 2]" 2
88 1 41 PHE H 1 46 ARG HA . . 4.320 3.633 3.203 3.794 . 0 0 "[ . 1 . 2]" 2
89 1 41 PHE H 1 41 PHE HB3 . . 4.040 3.827 3.790 3.853 . 0 0 "[ . 1 . 2]" 2
90 1 41 PHE H 1 41 PHE HB2 . . 3.360 2.878 2.803 2.935 . 0 0 "[ . 1 . 2]" 2
91 1 40 VAL HB 1 41 PHE H . . 4.190 4.173 4.115 4.247 0.057 17 0 "[ . 1 . 2]" 2
92 1 40 VAL MG1 1 41 PHE H . . 3.320 2.460 2.271 2.648 . 0 0 "[ . 1 . 2]" 2
93 1 25 LEU MD1 1 41 PHE H . . 4.590 4.038 3.833 4.352 . 0 0 "[ . 1 . 2]" 2
94 1 35 CYS H 1 41 PHE H . . 4.900 4.591 4.459 4.886 . 0 0 "[ . 1 . 2]" 2
95 1 41 PHE H 1 46 ARG HB3 . . 5.010 4.684 4.296 4.828 . 0 0 "[ . 1 . 2]" 2
96 1 18 CYS H 1 42 CYS H . . 5.230 5.085 4.675 5.202 . 0 0 "[ . 1 . 2]" 2
97 1 18 CYS H 1 41 PHE HA . . 5.100 4.747 4.595 4.949 . 0 0 "[ . 1 . 2]" 2
98 1 17 ARG HA 1 18 CYS H . . 2.690 2.268 2.186 2.382 . 0 0 "[ . 1 . 2]" 2
99 1 18 CYS H 1 22 GLN HA . . 3.780 3.061 2.723 3.405 . 0 0 "[ . 1 . 2]" 2
100 1 18 CYS H 1 18 CYS HB3 . . 2.910 2.749 2.668 2.802 . 0 0 "[ . 1 . 2]" 2
101 1 18 CYS H 1 18 CYS HB2 . . 2.970 2.345 2.323 2.395 . 0 0 "[ . 1 . 2]" 2
102 1 18 CYS H 1 42 CYS HB3 . . 4.420 4.254 4.116 4.468 0.048 20 0 "[ . 1 . 2]" 2
103 1 18 CYS H 1 25 LEU HG . . 3.080 2.774 2.552 2.927 . 0 0 "[ . 1 . 2]" 2
104 1 17 ARG HB3 1 18 CYS H . . 3.370 2.800 2.494 3.083 . 0 0 "[ . 1 . 2]" 2
105 1 18 CYS H 1 23 THR MG . . 3.670 2.820 2.467 2.958 . 0 0 "[ . 1 . 2]" 2
106 1 18 CYS H 1 25 LEU MD2 . . 3.570 2.979 2.631 3.237 . 0 0 "[ . 1 . 2]" 2
107 1 18 CYS H 1 25 LEU MD1 . . 3.850 2.876 2.558 3.159 . 0 0 "[ . 1 . 2]" 2
108 1 18 CYS H 1 42 CYS HA . . 5.500 5.422 5.231 5.525 0.025 14 0 "[ . 1 . 2]" 2
109 1 47 LEU H 1 51 HIS HD1 . . 4.780 4.519 4.357 4.670 . 0 0 "[ . 1 . 2]" 2
110 1 47 LEU H 1 50 GLN H . . 5.030 4.770 4.670 4.838 . 0 0 "[ . 1 . 2]" 2
111 1 45 HIS H 1 47 LEU H . . 4.890 4.585 4.402 4.727 . 0 0 "[ . 1 . 2]" 2
112 1 45 HIS HA 1 47 LEU H . . 4.190 3.607 3.461 3.696 . 0 0 "[ . 1 . 2]" 2
113 1 46 ARG HB3 1 47 LEU H . . 4.300 4.076 4.032 4.151 . 0 0 "[ . 1 . 2]" 2
114 1 46 ARG HB2 1 47 LEU H . . 3.960 3.743 3.585 3.865 . 0 0 "[ . 1 . 2]" 2
115 1 46 ARG HG2 1 47 LEU H . . 3.930 3.324 3.109 3.481 . 0 0 "[ . 1 . 2]" 2
116 1 47 LEU H 1 47 LEU HG . . 2.850 2.395 2.296 2.649 . 0 0 "[ . 1 . 2]" 2
117 1 47 LEU H 1 47 LEU HB3 . . 3.620 3.581 3.562 3.585 . 0 0 "[ . 1 . 2]" 2
118 1 47 LEU H 1 47 LEU HB2 . . 2.840 2.434 2.331 2.482 . 0 0 "[ . 1 . 2]" 2
119 1 47 LEU H 1 47 LEU MD1 . . 3.300 3.223 3.146 3.284 . 0 0 "[ . 1 . 2]" 2
120 1 43 MET HA 1 47 LEU H . . 5.500 5.376 5.262 5.491 . 0 0 "[ . 1 . 2]" 2
121 1 44 LEU HA 1 47 LEU H . . 5.500 5.266 5.066 5.418 . 0 0 "[ . 1 . 2]" 2
122 1 47 LEU H 1 48 PRO HD2 . . 4.880 4.768 4.754 4.784 . 0 0 "[ . 1 . 2]" 2
123 1 46 ARG QD 1 47 LEU H . . 4.500 4.157 3.887 4.342 . 0 0 "[ . 1 . 2]" 2
124 1 39 TYR H 1 41 PHE HZ . . 4.800 4.459 4.302 4.666 . 0 0 "[ . 1 . 2]" 2
125 1 35 CYS H 1 39 TYR H . . 4.080 3.559 3.432 3.723 . 0 0 "[ . 1 . 2]" 2
126 1 38 GLY H 1 39 TYR H . . 2.840 1.786 1.772 1.800 . 0 0 "[ . 1 . 2]" 2
127 1 39 TYR H 1 39 TYR QD . . 3.290 3.131 2.821 3.289 . 0 0 "[ . 1 . 2]" 2
128 1 39 TYR H 1 39 TYR QE . . 5.420 5.263 5.025 5.371 . 0 0 "[ . 1 . 2]" 2
129 1 35 CYS QB 1 39 TYR H . . 3.220 2.702 2.560 2.805 . 0 0 "[ . 1 . 2]" 2
130 1 39 TYR H 1 39 TYR HB2 . . 3.020 2.665 2.617 2.724 . 0 0 "[ . 1 . 2]" 2
131 1 39 TYR H 1 39 TYR HB3 . . 3.820 3.775 3.744 3.825 0.005 12 0 "[ . 1 . 2]" 2
132 1 39 TYR H 1 40 VAL MG2 . . 4.690 4.440 4.270 4.526 . 0 0 "[ . 1 . 2]" 2
133 1 33 GLY H 1 33 GLY HA3 . . 2.850 2.310 2.299 2.321 . 0 0 "[ . 1 . 2]" 2
134 1 29 GLN HA 1 33 GLY H . . 3.170 2.887 2.206 3.181 0.011 16 0 "[ . 1 . 2]" 2
135 1 30 GLN HA 1 33 GLY H . . 5.160 4.549 4.388 4.821 . 0 0 "[ . 1 . 2]" 2
136 1 29 GLN QG 1 33 GLY H . . 4.920 4.681 3.798 4.929 0.009 20 0 "[ . 1 . 2]" 2
137 1 31 GLU QB 1 33 GLY H . . 5.400 4.930 4.867 5.038 . 0 0 "[ . 1 . 2]" 2
138 1 33 GLY H 1 46 ARG HB3 . . 5.500 4.561 4.270 4.783 . 0 0 "[ . 1 . 2]" 2
139 1 32 LEU HB2 1 33 GLY H . . 3.700 2.401 1.978 2.475 . 0 0 "[ . 1 . 2]" 2
140 1 32 LEU HB3 1 33 GLY H . . 4.060 2.757 2.641 3.313 . 0 0 "[ . 1 . 2]" 2
141 1 32 LEU MD1 1 33 GLY H . . 4.950 4.104 3.991 4.175 . 0 0 "[ . 1 . 2]" 2
142 1 32 LEU MD2 1 33 GLY H . . 4.950 4.196 4.109 4.295 . 0 0 "[ . 1 . 2]" 2
143 1 33 GLY H 1 46 ARG QD . . 4.990 4.719 4.584 4.909 . 0 0 "[ . 1 . 2]" 2
144 1 43 MET H 1 44 LEU H . . 3.250 2.654 2.595 2.738 . 0 0 "[ . 1 . 2]" 2
145 1 44 LEU H 1 45 HIS H . . 2.710 2.112 2.019 2.274 . 0 0 "[ . 1 . 2]" 2
146 1 44 LEU H 1 46 ARG H . . 3.910 3.467 3.149 3.595 . 0 0 "[ . 1 . 2]" 2
147 1 42 CYS HA 1 44 LEU H . . 4.500 4.000 3.925 4.059 . 0 0 "[ . 1 . 2]" 2
148 1 42 CYS HB2 1 44 LEU H . . 3.670 2.879 2.816 2.971 . 0 0 "[ . 1 . 2]" 2
149 1 44 LEU H 1 45 HIS QB . . 4.640 4.279 4.153 4.467 . 0 0 "[ . 1 . 2]" 2
150 1 43 MET HB3 1 44 LEU H . . 3.870 3.407 3.236 3.574 . 0 0 "[ . 1 . 2]" 2
151 1 43 MET HB2 1 44 LEU H . . 4.630 4.152 4.047 4.352 . 0 0 "[ . 1 . 2]" 2
152 1 44 LEU H 1 44 LEU HG . . 2.940 2.503 2.338 2.581 . 0 0 "[ . 1 . 2]" 2
153 1 23 THR MG 1 44 LEU H . . 4.970 4.770 4.659 4.940 . 0 0 "[ . 1 . 2]" 2
154 1 44 LEU H 1 44 LEU QB . . 2.690 2.538 2.504 2.571 . 0 0 "[ . 1 . 2]" 2
155 1 44 LEU H 1 44 LEU MD2 . . 3.830 3.737 3.574 3.842 0.012 15 0 "[ . 1 . 2]" 2
156 1 26 GLU H 1 30 GLN H . . 5.140 3.981 3.672 4.239 . 0 0 "[ . 1 . 2]" 2
157 1 30 GLN H 1 30 GLN HG2 . . 3.760 3.308 3.066 3.544 . 0 0 "[ . 1 . 2]" 2
158 1 30 GLN H 1 30 GLN HG3 . . 3.760 2.130 1.896 2.493 . 0 0 "[ . 1 . 2]" 2
159 1 30 GLN H 1 30 GLN QB . . 3.000 2.560 2.438 2.667 . 0 0 "[ . 1 . 2]" 2
160 1 27 LEU QB 1 30 GLN H . . 5.500 5.486 5.405 5.534 0.034 3 0 "[ . 1 . 2]" 2
161 1 25 LEU HB3 1 30 GLN H . . 4.470 2.678 2.576 2.791 . 0 0 "[ . 1 . 2]" 2
162 1 27 LEU HA 1 30 GLN H . . 4.430 4.116 3.964 4.198 . 0 0 "[ . 1 . 2]" 2
163 1 25 LEU HG 1 30 GLN H . . 5.500 5.514 5.493 5.551 0.051 3 0 "[ . 1 . 2]" 2
164 1 27 LEU MD2 1 30 GLN H . . 5.500 5.429 5.252 5.519 0.019 9 0 "[ . 1 . 2]" 2
165 1 27 LEU MD1 1 30 GLN H . . 5.500 5.326 5.045 5.524 0.024 16 0 "[ . 1 . 2]" 2
166 1 30 GLN H 1 40 VAL MG1 . . 4.780 4.491 4.347 4.600 . 0 0 "[ . 1 . 2]" 2
167 1 52 ASP H 1 53 CYS H . . 3.780 3.061 3.015 3.080 . 0 0 "[ . 1 . 2]" 2
168 1 52 ASP H 1 52 ASP HA . . 2.920 2.316 2.311 2.320 . 0 0 "[ . 1 . 2]" 2
169 1 52 ASP H 1 52 ASP HB2 . . 4.200 3.076 2.763 3.558 . 0 0 "[ . 1 . 2]" 2
170 1 51 HIS HB3 1 52 ASP H . . 4.810 4.610 4.603 4.623 . 0 0 "[ . 1 . 2]" 2
171 1 51 HIS HB2 1 52 ASP H . . 4.600 4.473 4.463 4.483 . 0 0 "[ . 1 . 2]" 2
172 1 52 ASP H 1 52 ASP HB3 . . 4.200 3.769 3.478 3.976 . 0 0 "[ . 1 . 2]" 2
173 1 37 CYS HB2 1 54 THR H . . 4.270 3.798 3.637 3.984 . 0 0 "[ . 1 . 2]" 2
174 1 53 CYS HB2 1 54 THR H . . 4.360 4.151 4.107 4.200 . 0 0 "[ . 1 . 2]" 2
175 1 54 THR H 1 55 PHE H . . 3.140 2.298 2.229 2.369 . 0 0 "[ . 1 . 2]" 2
176 1 53 CYS H 1 54 THR H . . 4.760 4.603 4.580 4.613 . 0 0 "[ . 1 . 2]" 2
177 1 51 HIS HD2 1 54 THR H . . 4.530 3.962 3.912 4.019 . 0 0 "[ . 1 . 2]" 2
178 1 54 THR H 1 54 THR HB . . 3.910 2.748 2.666 2.822 . 0 0 "[ . 1 . 2]" 2
179 1 53 CYS HA 1 54 THR H . . 2.640 2.212 2.187 2.228 . 0 0 "[ . 1 . 2]" 2
180 1 54 THR H 1 55 PHE HB2 . . 4.490 4.236 4.144 4.300 . 0 0 "[ . 1 . 2]" 2
181 1 54 THR H 1 54 THR MG . . 3.100 2.033 1.882 2.168 . 0 0 "[ . 1 . 2]" 2
182 1 29 GLN H 1 29 GLN QG . . 4.500 2.910 2.368 3.913 . 0 0 "[ . 1 . 2]" 2
183 1 29 GLN H 1 29 GLN QB . . 3.740 2.205 2.125 2.372 . 0 0 "[ . 1 . 2]" 2
184 1 58 MET H 1 58 MET HG3 . . 4.570 3.679 1.996 4.523 . 0 0 "[ . 1 . 2]" 2
185 1 57 HIS H 1 58 MET H . . 4.960 3.494 2.073 4.626 . 0 0 "[ . 1 . 2]" 2
186 1 57 HIS HA 1 58 MET H . . 3.500 2.846 2.144 3.530 0.030 18 0 "[ . 1 . 2]" 2
187 1 29 GLN HA 1 32 LEU H . . 3.160 3.154 3.064 3.199 0.039 20 0 "[ . 1 . 2]" 2
188 1 30 GLN HA 1 32 LEU H . . 5.180 4.970 4.781 5.114 . 0 0 "[ . 1 . 2]" 2
189 1 31 GLU HG2 1 32 LEU H . . 5.100 4.566 4.283 4.955 . 0 0 "[ . 1 . 2]" 2
190 1 31 GLU QB 1 32 LEU H . . 3.090 2.395 2.238 2.497 . 0 0 "[ . 1 . 2]" 2
191 1 32 LEU H 1 32 LEU HB2 . . 2.900 2.197 2.144 2.766 . 0 0 "[ . 1 . 2]" 2
192 1 32 LEU H 1 32 LEU HB3 . . 3.630 3.486 3.465 3.563 . 0 0 "[ . 1 . 2]" 2
193 1 32 LEU H 1 32 LEU MD2 . . 4.470 3.863 2.233 4.113 . 0 0 "[ . 1 . 2]" 2
194 1 28 VAL HA 1 32 LEU H . . 4.930 4.386 4.141 4.620 . 0 0 "[ . 1 . 2]" 2
195 1 46 ARG H 1 51 HIS HD1 . . 5.440 5.238 5.129 5.382 . 0 0 "[ . 1 . 2]" 2
196 1 42 CYS H 1 46 ARG H . . 5.190 4.404 4.232 4.511 . 0 0 "[ . 1 . 2]" 2
197 1 45 HIS QB 1 46 ARG H . . 4.030 3.611 3.167 3.714 . 0 0 "[ . 1 . 2]" 2
198 1 46 ARG H 1 47 LEU H . . 3.120 2.567 2.452 2.936 . 0 0 "[ . 1 . 2]" 2
199 1 46 ARG H 1 46 ARG QD . . 4.070 3.991 3.939 4.066 . 0 0 "[ . 1 . 2]" 2
200 1 41 PHE HB2 1 46 ARG H . . 3.980 3.485 2.875 3.627 . 0 0 "[ . 1 . 2]" 2
201 1 46 ARG H 1 46 ARG HB3 . . 3.110 2.715 2.637 2.808 . 0 0 "[ . 1 . 2]" 2
202 1 46 ARG H 1 46 ARG HB2 . . 3.760 3.588 3.579 3.610 . 0 0 "[ . 1 . 2]" 2
203 1 46 ARG H 1 46 ARG HG3 . . 3.490 2.588 2.395 2.945 . 0 0 "[ . 1 . 2]" 2
204 1 43 MET HA 1 46 ARG H . . 3.780 3.639 3.558 3.734 . 0 0 "[ . 1 . 2]" 2
205 1 46 ARG H 1 46 ARG HG2 . . 3.150 2.235 2.134 2.292 . 0 0 "[ . 1 . 2]" 2
206 1 44 LEU QB 1 46 ARG H . . 4.900 4.547 4.449 4.630 . 0 0 "[ . 1 . 2]" 2
207 1 46 ARG H 1 47 LEU MD1 . . 5.370 4.600 4.456 4.898 . 0 0 "[ . 1 . 2]" 2
208 1 20 GLN H 1 21 CYS H . . 2.990 2.017 1.972 2.063 . 0 0 "[ . 1 . 2]" 2
209 1 20 GLN H 1 41 PHE QE . . 5.150 4.769 4.590 5.110 . 0 0 "[ . 1 . 2]" 2
210 1 20 GLN H 1 22 GLN HE21 . . 4.470 3.734 3.237 4.472 0.002 5 0 "[ . 1 . 2]" 2
211 1 20 GLN H 1 22 GLN HE22 . . 4.470 3.830 2.828 4.371 . 0 0 "[ . 1 . 2]" 2
212 1 20 GLN H 1 41 PHE HA . . 4.330 4.173 4.082 4.328 . 0 0 "[ . 1 . 2]" 2
213 1 19 PHE HA 1 20 GLN H . . 3.360 3.290 3.234 3.319 . 0 0 "[ . 1 . 2]" 2
214 1 19 PHE QB 1 20 GLN H . . 3.950 3.467 3.416 3.527 . 0 0 "[ . 1 . 2]" 2
215 1 20 GLN H 1 20 GLN QB . . 3.050 2.487 2.443 2.545 . 0 0 "[ . 1 . 2]" 2
216 1 20 GLN H 1 20 GLN QG . . 4.280 4.190 4.083 4.249 . 0 0 "[ . 1 . 2]" 2
217 1 20 GLN H 1 42 CYS H . . 4.940 4.900 4.842 4.946 0.006 8 0 "[ . 1 . 2]" 2
218 1 20 GLN H 1 21 CYS HA . . 4.700 4.687 4.623 4.731 0.031 5 0 "[ . 1 . 2]" 2
219 1 18 CYS HB3 1 20 GLN H . . 3.910 2.992 2.911 3.073 . 0 0 "[ . 1 . 2]" 2
220 1 20 GLN H 1 41 PHE HB3 . . 4.960 4.357 4.146 4.510 . 0 0 "[ . 1 . 2]" 2
221 1 17 ARG HB2 1 23 THR H . . 5.500 5.041 4.678 5.246 . 0 0 "[ . 1 . 2]" 2
222 1 23 THR H 1 25 LEU HG . . 5.500 4.734 4.475 5.128 . 0 0 "[ . 1 . 2]" 2
223 1 17 ARG HA 1 23 THR H . . 4.640 4.250 3.879 4.504 . 0 0 "[ . 1 . 2]" 2
224 1 23 THR H 1 23 THR HB . . 2.710 2.598 2.503 2.709 . 0 0 "[ . 1 . 2]" 2
225 1 18 CYS HB3 1 23 THR H . . 3.020 1.973 1.928 2.037 . 0 0 "[ . 1 . 2]" 2
226 1 18 CYS HB2 1 23 THR H . . 3.600 2.504 2.404 2.674 . 0 0 "[ . 1 . 2]" 2
227 1 23 THR H 1 23 THR MG . . 3.230 2.281 2.215 2.374 . 0 0 "[ . 1 . 2]" 2
228 1 51 HIS HD2 1 53 CYS H . . 4.030 3.097 3.046 3.159 . 0 0 "[ . 1 . 2]" 2
229 1 52 ASP HA 1 53 CYS H . . 3.290 2.731 2.703 2.776 . 0 0 "[ . 1 . 2]" 2
230 1 48 PRO HA 1 53 CYS H . . 4.020 3.188 3.112 3.384 . 0 0 "[ . 1 . 2]" 2
231 1 53 CYS H 1 53 CYS HB2 . . 3.040 2.335 2.306 2.360 . 0 0 "[ . 1 . 2]" 2
232 1 39 TYR H 1 40 VAL H . . 4.910 4.413 4.380 4.443 . 0 0 "[ . 1 . 2]" 2
233 1 39 TYR HA 1 40 VAL H . . 3.010 2.284 2.253 2.353 . 0 0 "[ . 1 . 2]" 2
234 1 19 PHE QB 1 40 VAL H . . 4.160 3.394 3.141 3.518 . 0 0 "[ . 1 . 2]" 2
235 1 39 TYR HB2 1 40 VAL H . . 4.000 3.976 3.792 4.036 0.036 8 0 "[ . 1 . 2]" 2
236 1 39 TYR HB3 1 40 VAL H . . 3.330 2.750 2.548 2.842 . 0 0 "[ . 1 . 2]" 2
237 1 40 VAL H 1 40 VAL HB . . 3.450 2.590 2.498 2.692 . 0 0 "[ . 1 . 2]" 2
238 1 40 VAL H 1 40 VAL MG2 . . 3.340 2.716 2.615 2.851 . 0 0 "[ . 1 . 2]" 2
239 1 48 PRO HD2 1 50 GLN H . . 5.040 4.177 4.103 4.224 . 0 0 "[ . 1 . 2]" 2
240 1 49 GLU H 1 50 GLN H . . 3.230 2.689 2.616 2.741 . 0 0 "[ . 1 . 2]" 2
241 1 50 GLN H 1 52 ASP H . . 4.200 4.114 3.984 4.211 0.011 2 0 "[ . 1 . 2]" 2
242 1 50 GLN H 1 53 CYS H . . 4.940 4.787 4.656 4.840 . 0 0 "[ . 1 . 2]" 2
243 1 45 HIS HA 1 50 GLN H . . 5.500 5.194 4.902 5.326 . 0 0 "[ . 1 . 2]" 2
244 1 50 GLN H 1 51 HIS HA . . 5.500 5.248 5.122 5.304 . 0 0 "[ . 1 . 2]" 2
245 1 48 PRO HA 1 50 GLN H . . 4.260 4.021 3.829 4.103 . 0 0 "[ . 1 . 2]" 2
246 1 50 GLN H 1 50 GLN HB2 . . 3.870 2.329 2.138 2.416 . 0 0 "[ . 1 . 2]" 2
247 1 49 GLU QB 1 50 GLN H . . 4.180 3.575 3.520 3.688 . 0 0 "[ . 1 . 2]" 2
248 1 47 LEU HB3 1 50 GLN H . . 4.090 3.206 3.077 3.284 . 0 0 "[ . 1 . 2]" 2
249 1 47 LEU HB2 1 50 GLN H . . 3.760 2.997 2.902 3.078 . 0 0 "[ . 1 . 2]" 2
250 1 47 LEU MD1 1 50 GLN H . . 4.990 4.180 4.069 4.320 . 0 0 "[ . 1 . 2]" 2
251 1 48 PRO HB2 1 50 GLN H . . 4.970 4.914 4.850 4.961 . 0 0 "[ . 1 . 2]" 2
252 1 17 ARG H 1 18 CYS H . . 4.580 4.513 4.466 4.559 . 0 0 "[ . 1 . 2]" 2
253 1 16 ARG H 1 17 ARG H . . 3.470 2.678 1.909 3.048 . 0 0 "[ . 1 . 2]" 2
254 1 17 ARG H 1 17 ARG HB2 . . 3.140 2.580 2.538 2.719 . 0 0 "[ . 1 . 2]" 2
255 1 17 ARG H 1 17 ARG HB3 . . 4.170 3.719 3.681 3.814 . 0 0 "[ . 1 . 2]" 2
256 1 17 ARG H 1 17 ARG HG2 . . 4.390 3.594 3.328 3.849 . 0 0 "[ . 1 . 2]" 2
257 1 17 ARG H 1 40 VAL MG1 . . 5.250 5.213 4.959 5.261 0.011 13 0 "[ . 1 . 2]" 2
258 1 17 ARG H 1 25 LEU MD1 . . 4.160 3.575 3.010 3.875 . 0 0 "[ . 1 . 2]" 2
259 1 28 VAL HA 1 31 GLU H . . 4.460 3.919 3.735 4.100 . 0 0 "[ . 1 . 2]" 2
260 1 31 GLU H 1 31 GLU HG2 . . 4.550 2.945 2.390 3.815 . 0 0 "[ . 1 . 2]" 2
261 1 31 GLU H 1 31 GLU QB . . 3.060 2.309 2.197 2.520 . 0 0 "[ . 1 . 2]" 2
262 1 17 ARG H 1 25 LEU H . . 5.160 4.936 4.758 5.167 0.007 1 0 "[ . 1 . 2]" 2
263 1 16 ARG HB2 1 17 ARG H . . 3.840 3.611 2.878 3.878 0.038 9 0 "[ . 1 . 2]" 2
264 1 16 ARG HB3 1 17 ARG H . . 3.840 2.800 2.532 3.423 . 0 0 "[ . 1 . 2]" 2
265 1 37 CYS H 1 39 TYR H . . 4.290 4.200 4.126 4.249 . 0 0 "[ . 1 . 2]" 2
266 1 37 CYS H 1 37 CYS HB3 . . 2.890 2.615 2.566 2.674 . 0 0 "[ . 1 . 2]" 2
267 1 35 CYS QB 1 37 CYS H . . 4.410 2.913 2.853 2.966 . 0 0 "[ . 1 . 2]" 2
268 1 37 CYS H 1 55 PHE HB3 . . 4.390 4.236 4.035 4.380 . 0 0 "[ . 1 . 2]" 2
269 1 37 CYS H 1 55 PHE HB2 . . 3.950 3.412 3.290 3.506 . 0 0 "[ . 1 . 2]" 2
270 1 36 ARG HG3 1 37 CYS H . . 4.000 3.917 3.805 4.005 0.005 20 0 "[ . 1 . 2]" 2
271 1 36 ARG HB2 1 37 CYS H . . 3.830 2.721 2.685 2.795 . 0 0 "[ . 1 . 2]" 2
272 1 36 ARG HB3 1 37 CYS H . . 4.050 3.950 3.895 4.011 . 0 0 "[ . 1 . 2]" 2
273 1 35 CYS QB 1 36 ARG H . . 4.060 2.782 2.684 2.959 . 0 0 "[ . 1 . 2]" 2
274 1 36 ARG H 1 36 ARG HD3 . . 4.840 4.655 4.477 4.799 . 0 0 "[ . 1 . 2]" 2
275 1 36 ARG H 1 36 ARG HD2 . . 4.840 4.512 4.276 4.748 . 0 0 "[ . 1 . 2]" 2
276 1 36 ARG H 1 36 ARG HG2 . . 3.140 2.858 2.669 2.971 . 0 0 "[ . 1 . 2]" 2
277 1 36 ARG H 1 36 ARG HG3 . . 3.340 2.287 2.137 2.394 . 0 0 "[ . 1 . 2]" 2
278 1 36 ARG H 1 36 ARG HB2 . . 3.130 2.706 2.651 2.781 . 0 0 "[ . 1 . 2]" 2
279 1 36 ARG H 1 36 ARG HB3 . . 3.740 3.639 3.602 3.653 . 0 0 "[ . 1 . 2]" 2
280 1 37 CYS H 1 55 PHE H . . 5.330 4.791 4.648 4.918 . 0 0 "[ . 1 . 2]" 2
281 1 37 CYS H 1 55 PHE QD . . 4.610 4.526 4.088 4.615 0.005 10 0 "[ . 1 . 2]" 2
282 1 19 PHE H 1 41 PHE QD . . 4.290 2.659 2.468 3.221 . 0 0 "[ . 1 . 2]" 2
283 1 19 PHE H 1 41 PHE HA . . 3.360 2.541 2.467 2.647 . 0 0 "[ . 1 . 2]" 2
284 1 18 CYS HA 1 19 PHE H . . 2.620 2.422 2.406 2.433 . 0 0 "[ . 1 . 2]" 2
285 1 18 CYS HB3 1 19 PHE H . . 4.570 3.428 3.396 3.465 . 0 0 "[ . 1 . 2]" 2
286 1 19 PHE H 1 19 PHE QB . . 3.020 2.251 2.223 2.310 . 0 0 "[ . 1 . 2]" 2
287 1 19 PHE H 1 40 VAL MG1 . . 5.260 5.048 4.725 5.262 0.002 12 0 "[ . 1 . 2]" 2
288 1 19 PHE H 1 40 VAL HB . . 5.490 5.406 5.301 5.498 0.008 16 0 "[ . 1 . 2]" 2
289 1 19 PHE H 1 40 VAL H . . 5.100 4.995 4.881 5.081 . 0 0 "[ . 1 . 2]" 2
290 1 19 PHE H 1 39 TYR HB3 . . 5.170 5.013 4.920 5.131 . 0 0 "[ . 1 . 2]" 2
291 1 19 PHE H 1 25 LEU MD1 . . 4.700 4.500 4.276 4.664 . 0 0 "[ . 1 . 2]" 2
292 1 41 PHE QD 1 42 CYS H . . 5.500 4.183 4.098 4.469 . 0 0 "[ . 1 . 2]" 2
293 1 19 PHE H 1 42 CYS H . . 4.570 4.288 4.086 4.355 . 0 0 "[ . 1 . 2]" 2
294 1 41 PHE H 1 42 CYS H . . 4.630 4.443 4.413 4.479 . 0 0 "[ . 1 . 2]" 2
295 1 42 CYS H 1 45 HIS H . . 4.250 3.232 3.094 3.717 . 0 0 "[ . 1 . 2]" 2
296 1 41 PHE HA 1 42 CYS H . . 2.960 2.526 2.308 2.605 . 0 0 "[ . 1 . 2]" 2
297 1 18 CYS HA 1 42 CYS H . . 3.770 3.715 3.290 3.804 0.034 6 0 "[ . 1 . 2]" 2
298 1 42 CYS H 1 42 CYS HB2 . . 3.700 3.625 3.589 3.648 . 0 0 "[ . 1 . 2]" 2
299 1 41 PHE HB3 1 42 CYS H . . 3.290 2.364 2.250 2.792 . 0 0 "[ . 1 . 2]" 2
300 1 42 CYS H 1 45 HIS QB . . 3.780 2.597 2.405 2.995 . 0 0 "[ . 1 . 2]" 2
301 1 18 CYS HB2 1 42 CYS H . . 3.330 3.011 2.604 3.095 . 0 0 "[ . 1 . 2]" 2
302 1 42 CYS H 1 42 CYS HB3 . . 3.320 2.717 2.570 2.768 . 0 0 "[ . 1 . 2]" 2
303 1 41 PHE HB2 1 42 CYS H . . 3.800 3.067 2.875 3.500 . 0 0 "[ . 1 . 2]" 2
304 1 23 THR MG 1 42 CYS H . . 4.550 3.806 3.448 4.026 . 0 0 "[ . 1 . 2]" 2
305 1 25 LEU MD2 1 42 CYS H . . 3.880 3.286 2.917 3.541 . 0 0 "[ . 1 . 2]" 2
306 1 25 LEU MD1 1 42 CYS H . . 4.690 4.286 4.020 4.466 . 0 0 "[ . 1 . 2]" 2
307 1 22 GLN H 1 22 GLN HA . . 2.680 2.281 2.274 2.304 . 0 0 "[ . 1 . 2]" 2
308 1 19 PHE HA 1 22 GLN H . . 4.220 4.085 4.019 4.178 . 0 0 "[ . 1 . 2]" 2
309 1 18 CYS HB3 1 22 GLN H . . 3.210 1.970 1.890 2.161 . 0 0 "[ . 1 . 2]" 2
310 1 18 CYS HB2 1 22 GLN H . . 3.920 3.726 3.647 3.918 . 0 0 "[ . 1 . 2]" 2
311 1 21 CYS HB3 1 22 GLN H . . 4.540 4.271 4.204 4.336 . 0 0 "[ . 1 . 2]" 2
312 1 17 ARG HB2 1 22 GLN H . . 5.500 5.485 5.319 5.514 0.014 17 0 "[ . 1 . 2]" 2
313 1 17 ARG HB3 1 22 GLN H . . 4.970 4.639 4.506 4.738 . 0 0 "[ . 1 . 2]" 2
314 1 22 GLN H 1 23 THR MG . . 5.250 4.423 4.275 4.771 . 0 0 "[ . 1 . 2]" 2
315 1 21 CYS H 1 23 THR MG . . 5.080 4.513 4.405 4.763 . 0 0 "[ . 1 . 2]" 2
316 1 19 PHE HA 1 21 CYS H . . 4.860 4.833 4.743 4.882 0.022 1 0 "[ . 1 . 2]" 2
317 1 21 CYS H 1 22 GLN HA . . 4.270 4.221 4.135 4.275 0.005 15 0 "[ . 1 . 2]" 2
318 1 18 CYS HB3 1 21 CYS H . . 3.260 2.377 2.293 2.450 . 0 0 "[ . 1 . 2]" 2
319 1 18 CYS HB2 1 21 CYS H . . 4.090 3.769 3.712 3.834 . 0 0 "[ . 1 . 2]" 2
320 1 21 CYS H 1 21 CYS HB3 . . 3.730 2.954 2.903 3.040 . 0 0 "[ . 1 . 2]" 2
321 1 20 GLN QB 1 21 CYS H . . 3.290 2.565 2.517 2.641 . 0 0 "[ . 1 . 2]" 2
322 1 20 GLN QG 1 21 CYS H . . 4.180 4.090 3.997 4.155 . 0 0 "[ . 1 . 2]" 2
323 1 42 CYS HB2 1 43 MET H . . 2.940 2.104 1.986 2.368 . 0 0 "[ . 1 . 2]" 2
324 1 43 MET H 1 43 MET HB3 . . 3.230 2.720 2.346 2.877 . 0 0 "[ . 1 . 2]" 2
325 1 29 GLN QG 1 43 MET H . . 4.500 3.923 2.845 4.425 . 0 0 "[ . 1 . 2]" 2
326 1 43 MET H 1 43 MET HB2 . . 2.930 2.357 2.224 2.729 . 0 0 "[ . 1 . 2]" 2
327 1 43 MET H 1 44 LEU QB . . 5.060 4.764 4.669 4.911 . 0 0 "[ . 1 . 2]" 2
328 1 42 CYS H 1 43 MET H . . 5.000 4.528 4.490 4.578 . 0 0 "[ . 1 . 2]" 2
329 1 23 THR MG 1 43 MET H . . 4.950 4.323 4.186 4.506 . 0 0 "[ . 1 . 2]" 2
330 1 25 LEU MD2 1 43 MET H . . 4.110 3.619 3.368 3.766 . 0 0 "[ . 1 . 2]" 2
331 1 26 GLU HB2 1 28 VAL H . . 4.500 3.486 2.878 4.149 . 0 0 "[ . 1 . 2]" 2
332 1 26 GLU HB3 1 28 VAL H . . 4.500 2.944 2.574 4.547 0.047 18 0 "[ . 1 . 2]" 2
333 1 27 LEU QB 1 28 VAL H . . 3.190 2.537 2.211 2.713 . 0 0 "[ . 1 . 2]" 2
334 1 28 VAL H 1 28 VAL MG1 . . 3.910 2.094 1.867 3.762 . 0 0 "[ . 1 . 2]" 2
335 1 28 VAL H 1 29 GLN H . . 3.750 2.610 2.438 2.942 . 0 0 "[ . 1 . 2]" 2
336 1 28 VAL H 1 28 VAL HB . . 3.640 2.784 2.525 3.617 . 0 0 "[ . 1 . 2]" 2
337 1 34 SER H 1 34 SER HB2 . . 3.650 3.529 3.501 3.573 . 0 0 "[ . 1 . 2]" 2
338 1 48 PRO HD2 1 49 GLU H . . 4.120 2.748 2.694 2.770 . 0 0 "[ . 1 . 2]" 2
339 1 49 GLU H 1 49 GLU HG2 . . 3.870 2.456 2.025 2.986 . 0 0 "[ . 1 . 2]" 2
340 1 49 GLU H 1 49 GLU HG3 . . 3.870 3.349 2.837 3.857 . 0 0 "[ . 1 . 2]" 2
341 1 49 GLU H 1 49 GLU QB . . 3.150 2.490 2.415 2.581 . 0 0 "[ . 1 . 2]" 2
342 1 48 PRO HB2 1 49 GLU H . . 3.530 2.917 2.870 3.050 . 0 0 "[ . 1 . 2]" 2
343 1 47 LEU HB3 1 49 GLU H . . 4.080 3.125 2.978 3.202 . 0 0 "[ . 1 . 2]" 2
344 1 47 LEU HB2 1 49 GLU H . . 4.410 4.229 4.085 4.338 . 0 0 "[ . 1 . 2]" 2
345 1 47 LEU MD1 1 49 GLU H . . 5.050 4.942 4.833 5.054 0.004 2 0 "[ . 1 . 2]" 2
346 1 43 MET HB3 1 45 HIS H . . 5.500 5.386 5.298 5.531 0.031 20 0 "[ . 1 . 2]" 2
347 1 44 LEU HA 1 45 HIS H . . 3.520 3.483 3.445 3.523 0.003 14 0 "[ . 1 . 2]" 2
348 1 42 CYS HB2 1 45 HIS H . . 4.320 4.089 3.964 4.206 . 0 0 "[ . 1 . 2]" 2
349 1 41 PHE HB3 1 45 HIS H . . 4.060 3.852 3.782 3.932 . 0 0 "[ . 1 . 2]" 2
350 1 45 HIS H 1 45 HIS QB . . 3.120 2.500 2.379 2.578 . 0 0 "[ . 1 . 2]" 2
351 1 41 PHE HB2 1 45 HIS H . . 4.550 3.974 3.853 4.083 . 0 0 "[ . 1 . 2]" 2
352 1 45 HIS H 1 46 ARG HB3 . . 4.610 4.271 4.151 4.464 . 0 0 "[ . 1 . 2]" 2
353 1 45 HIS H 1 46 ARG HG2 . . 4.580 3.873 3.598 4.121 . 0 0 "[ . 1 . 2]" 2
354 1 45 HIS H 1 46 ARG HG3 . . 4.980 4.752 4.604 4.981 0.001 14 0 "[ . 1 . 2]" 2
355 1 44 LEU HG 1 45 HIS H . . 4.290 4.244 4.144 4.289 . 0 0 "[ . 1 . 2]" 2
356 1 44 LEU QB 1 45 HIS H . . 3.290 2.790 2.601 2.940 . 0 0 "[ . 1 . 2]" 2
357 1 51 HIS H 1 52 ASP H . . 2.840 2.758 2.682 2.821 . 0 0 "[ . 1 . 2]" 2
358 1 51 HIS H 1 53 CYS H . . 3.770 3.396 3.295 3.449 . 0 0 "[ . 1 . 2]" 2
359 1 18 CYS H 1 23 THR H . . 3.780 2.430 2.173 2.717 . 0 0 "[ . 1 . 2]" 2
360 1 18 CYS H 1 19 PHE H . . 4.730 4.642 4.636 4.648 . 0 0 "[ . 1 . 2]" 2
361 1 33 GLY H 1 34 SER H . . 3.510 2.949 2.848 3.010 . 0 0 "[ . 1 . 2]" 2
362 1 30 GLN H 1 31 GLU H . . 3.520 3.003 2.960 3.055 . 0 0 "[ . 1 . 2]" 2
363 1 29 GLN H 1 30 GLN H . . 3.460 2.909 2.715 3.080 . 0 0 "[ . 1 . 2]" 2
364 1 45 HIS HA 1 51 HIS HD1 . . 5.500 4.314 4.108 4.479 . 0 0 "[ . 1 . 2]" 2
365 1 32 LEU H 1 33 GLY H . . 3.140 2.900 2.796 3.100 . 0 0 "[ . 1 . 2]" 2
366 1 45 HIS H 1 46 ARG H . . 2.810 2.302 2.075 2.498 . 0 0 "[ . 1 . 2]" 2
367 1 19 PHE H 1 20 GLN H . . 3.440 2.184 2.117 2.247 . 0 0 "[ . 1 . 2]" 2
368 1 22 GLN H 1 23 THR H . . 3.430 2.838 2.729 3.061 . 0 0 "[ . 1 . 2]" 2
369 1 50 GLN H 1 51 HIS HD1 . . 4.870 4.370 4.184 4.472 . 0 0 "[ . 1 . 2]" 2
370 1 37 CYS H 1 38 GLY H . . 2.980 2.848 2.810 2.880 . 0 0 "[ . 1 . 2]" 2
371 1 36 ARG H 1 37 CYS H . . 3.130 2.313 2.261 2.436 . 0 0 "[ . 1 . 2]" 2
372 1 21 CYS H 1 22 GLN H . . 2.960 2.021 1.917 2.122 . 0 0 "[ . 1 . 2]" 2
373 1 20 GLN H 1 22 GLN H . . 3.910 2.786 2.682 2.852 . 0 0 "[ . 1 . 2]" 2
374 1 27 LEU H 1 28 VAL H . . 4.240 2.975 2.803 3.177 . 0 0 "[ . 1 . 2]" 2
375 1 43 MET H 1 45 HIS H . . 4.500 4.246 4.116 4.361 . 0 0 "[ . 1 . 2]" 2
376 1 20 GLN H 1 41 PHE QD . . 3.780 3.260 3.101 3.732 . 0 0 "[ . 1 . 2]" 2
377 1 22 GLN H 1 22 GLN HG2 . . 4.470 3.672 2.543 4.466 . 0 0 "[ . 1 . 2]" 2
378 1 20 GLN QB 1 22 GLN H . . 4.620 4.263 4.235 4.305 . 0 0 "[ . 1 . 2]" 2
379 1 33 GLY H 1 40 VAL MG1 . . 4.710 4.259 3.936 4.480 . 0 0 "[ . 1 . 2]" 2
380 1 35 CYS HA 1 36 ARG H . . 2.900 2.581 2.512 2.622 . 0 0 "[ . 1 . 2]" 2
381 1 37 CYS HB3 1 54 THR H . . 3.900 3.232 3.069 3.351 . 0 0 "[ . 1 . 2]" 2
382 1 19 PHE QD 1 20 GLN H . . 4.170 3.376 3.109 4.063 . 0 0 "[ . 1 . 2]" 2
383 1 39 TYR QD 1 40 VAL MG2 . . 5.500 5.331 5.196 5.503 0.003 19 0 "[ . 1 . 2]" 2
384 1 38 GLY H 1 39 TYR QD . . 4.640 3.630 3.234 3.848 . 0 0 "[ . 1 . 2]" 2
385 1 39 TYR QD 1 40 VAL H . . 4.880 3.634 3.432 3.952 . 0 0 "[ . 1 . 2]" 2
386 1 39 TYR HA 1 39 TYR QD . . 3.390 3.032 2.820 3.142 . 0 0 "[ . 1 . 2]" 2
387 1 37 CYS HB2 1 39 TYR QD . . 4.020 3.362 3.199 3.493 . 0 0 "[ . 1 . 2]" 2
388 1 19 PHE QB 1 39 TYR QD . . 4.380 2.405 2.227 2.697 . 0 0 "[ . 1 . 2]" 2
389 1 12 GLN HG3 1 39 TYR QD . . 5.210 4.400 2.968 4.784 . 0 0 "[ . 1 . 2]" 2
390 1 36 ARG HG3 1 55 PHE QD . . 5.010 4.229 3.858 4.925 . 0 0 "[ . 1 . 2]" 2
391 1 37 CYS HB3 1 55 PHE QD . . 4.920 4.324 3.896 4.508 . 0 0 "[ . 1 . 2]" 2
392 1 55 PHE QD 1 57 HIS HE1 . . 5.300 4.272 2.825 5.121 . 0 0 "[ . 1 . 2]" 2
393 1 55 PHE QE 1 57 HIS HA . . 4.350 3.799 2.287 4.350 . 0 0 "[ . 1 . 2]" 2
394 1 19 PHE QD 1 20 GLN HA . . 3.930 3.361 3.181 3.870 . 0 0 "[ . 1 . 2]" 2
395 1 19 PHE QD 1 39 TYR HB2 . . 4.820 4.806 4.716 4.846 0.026 12 0 "[ . 1 . 2]" 2
396 1 19 PHE H 1 19 PHE QD . . 5.020 3.601 3.440 3.967 . 0 0 "[ . 1 . 2]" 2
397 1 19 PHE QD 1 39 TYR HB3 . . 4.530 3.769 3.574 3.829 . 0 0 "[ . 1 . 2]" 2
398 1 19 PHE QD 1 20 GLN QG . . 4.800 4.196 3.805 4.768 . 0 0 "[ . 1 . 2]" 2
399 1 48 PRO HA 1 51 HIS HD2 . . 4.850 4.134 4.035 4.207 . 0 0 "[ . 1 . 2]" 2
400 1 51 HIS HD2 1 53 CYS HB2 . . 3.900 3.099 3.057 3.146 . 0 0 "[ . 1 . 2]" 2
401 1 45 HIS HA 1 45 HIS HD2 . . 3.270 2.479 2.385 2.642 . 0 0 "[ . 1 . 2]" 2
402 1 45 HIS HD2 1 50 GLN HB2 . . 4.150 4.030 3.733 4.173 0.023 11 0 "[ . 1 . 2]" 2
403 1 45 HIS HD2 1 50 GLN HB3 . . 4.150 2.434 2.034 2.586 . 0 0 "[ . 1 . 2]" 2
404 1 20 GLN QG 1 45 HIS HD2 . . 4.550 4.469 4.144 4.571 0.021 11 0 "[ . 1 . 2]" 2
405 1 44 LEU QB 1 45 HIS HD2 . . 4.560 4.210 4.004 4.487 . 0 0 "[ . 1 . 2]" 2
406 1 57 HIS HA 1 57 HIS HD2 . . 4.860 4.316 3.277 4.800 . 0 0 "[ . 1 . 2]" 2
407 1 11 LYS HA 1 39 TYR QE . . 5.500 5.500 5.389 5.541 0.041 10 0 "[ . 1 . 2]" 2
408 1 39 TYR HA 1 39 TYR QE . . 4.690 4.600 4.539 4.687 . 0 0 "[ . 1 . 2]" 2
409 1 37 CYS HB2 1 39 TYR QE . . 4.840 4.476 4.069 4.639 . 0 0 "[ . 1 . 2]" 2
410 1 18 CYS HB2 1 41 PHE HA . . 4.390 3.506 3.423 3.617 . 0 0 "[ . 1 . 2]" 2
411 1 41 PHE HA 1 41 PHE QD . . 4.310 3.051 2.902 3.309 . 0 0 "[ . 1 . 2]" 2
412 1 19 PHE QB 1 41 PHE HA . . 5.120 3.822 3.685 3.913 . 0 0 "[ . 1 . 2]" 2
413 1 41 PHE HA 1 45 HIS QB . . 5.490 3.840 3.717 4.001 . 0 0 "[ . 1 . 2]" 2
414 1 18 CYS HB3 1 41 PHE HA . . 4.420 4.239 4.146 4.380 . 0 0 "[ . 1 . 2]" 2
415 1 20 GLN QB 1 41 PHE HA . . 5.500 4.953 4.865 5.049 . 0 0 "[ . 1 . 2]" 2
416 1 25 LEU MD1 1 41 PHE HA . . 4.680 3.443 3.246 3.659 . 0 0 "[ . 1 . 2]" 2
417 1 25 LEU MD2 1 41 PHE HA . . 4.980 3.755 3.501 3.995 . 0 0 "[ . 1 . 2]" 2
418 1 21 CYS HA 1 45 HIS HE1 . . 4.460 4.402 4.170 4.467 0.007 3 0 "[ . 1 . 2]" 2
419 1 21 CYS HB3 1 45 HIS HE1 . . 3.050 2.326 2.140 2.427 . 0 0 "[ . 1 . 2]" 2
420 1 20 GLN QG 1 45 HIS HE1 . . 4.690 3.819 3.490 4.130 . 0 0 "[ . 1 . 2]" 2
421 1 44 LEU QB 1 45 HIS HE1 . . 4.650 4.367 4.038 4.621 . 0 0 "[ . 1 . 2]" 2
422 1 44 LEU MD1 1 45 HIS HE1 . . 4.710 4.549 4.232 4.722 0.012 20 0 "[ . 1 . 2]" 2
423 1 47 LEU HA 1 51 HIS HE1 . . 5.000 4.319 4.212 4.456 . 0 0 "[ . 1 . 2]" 2
424 1 48 PRO HD3 1 51 HIS HE1 . . 5.210 4.325 4.226 4.378 . 0 0 "[ . 1 . 2]" 2
425 1 35 CYS QB 1 51 HIS HE1 . . 3.600 3.395 3.155 3.475 . 0 0 "[ . 1 . 2]" 2
426 1 48 PRO HA 1 51 HIS HE1 . . 3.430 2.495 2.412 2.564 . 0 0 "[ . 1 . 2]" 2
427 1 51 HIS HE1 1 53 CYS HB2 . . 4.550 3.557 3.465 3.645 . 0 0 "[ . 1 . 2]" 2
428 1 48 PRO HB3 1 51 HIS HE1 . . 4.300 4.025 3.923 4.101 . 0 0 "[ . 1 . 2]" 2
429 1 48 PRO QG 1 51 HIS HE1 . . 5.150 5.135 5.086 5.159 0.009 6 0 "[ . 1 . 2]" 2
430 1 48 PRO HB2 1 51 HIS HE1 . . 5.310 5.079 4.985 5.153 . 0 0 "[ . 1 . 2]" 2
431 1 36 ARG HG3 1 57 HIS HE1 . . 4.920 2.860 2.001 4.272 . 0 0 "[ . 1 . 2]" 2
432 1 36 ARG HB2 1 57 HIS HE1 . . 4.580 4.042 2.615 4.583 0.003 7 0 "[ . 1 . 2]" 2
433 1 36 ARG H 1 57 HIS HE1 . . 4.600 3.943 3.337 4.570 . 0 0 "[ . 1 . 2]" 2
434 1 43 MET ME 1 44 LEU H . . 4.780 4.278 4.008 4.458 . 0 0 "[ . 1 . 2]" 2
435 1 43 MET HA 1 43 MET ME . . 4.550 4.075 3.858 4.193 . 0 0 "[ . 1 . 2]" 2
436 1 43 MET ME 1 44 LEU HA . . 4.720 3.654 2.641 3.976 . 0 0 "[ . 1 . 2]" 2
437 1 43 MET ME 1 46 ARG QD . . 5.010 4.686 4.089 5.010 . 0 0 "[ . 1 . 2]" 2
438 1 43 MET ME 1 44 LEU QB . . 4.670 4.543 4.054 4.675 0.005 20 0 "[ . 1 . 2]" 2
439 1 32 LEU HB2 1 33 GLY HA2 . . 5.270 4.603 3.961 4.668 . 0 0 "[ . 1 . 2]" 2
440 1 33 GLY HA2 1 46 ARG HG3 . . 5.500 4.771 4.619 4.877 . 0 0 "[ . 1 . 2]" 2
441 1 33 GLY HA3 1 40 VAL MG1 . . 4.530 3.114 2.548 3.329 . 0 0 "[ . 1 . 2]" 2
442 1 33 GLY HA3 1 46 ARG QD . . 4.850 4.731 4.599 4.846 . 0 0 "[ . 1 . 2]" 2
443 1 33 GLY HA2 1 46 ARG HG2 . . 4.850 4.275 4.166 4.418 . 0 0 "[ . 1 . 2]" 2
444 1 33 GLY HA2 1 40 VAL MG1 . . 4.930 4.383 3.831 4.587 . 0 0 "[ . 1 . 2]" 2
445 1 33 GLY HA2 1 46 ARG QD . . 4.180 3.320 3.161 3.465 . 0 0 "[ . 1 . 2]" 2
446 1 33 GLY HA2 1 46 ARG HB3 . . 4.420 2.196 2.047 2.368 . 0 0 "[ . 1 . 2]" 2
447 1 41 PHE HB3 1 41 PHE QE . . 5.010 4.401 4.374 4.416 . 0 0 "[ . 1 . 2]" 2
448 1 41 PHE HB3 1 46 ARG H . . 5.260 4.304 3.841 4.433 . 0 0 "[ . 1 . 2]" 2
449 1 41 PHE HB3 1 46 ARG HB3 . . 5.490 5.087 5.005 5.222 . 0 0 "[ . 1 . 2]" 2
450 1 18 CYS HA 1 41 PHE HB3 . . 4.810 4.339 4.203 4.486 . 0 0 "[ . 1 . 2]" 2
451 1 41 PHE HB2 1 45 HIS QB . . 4.340 3.024 2.721 3.133 . 0 0 "[ . 1 . 2]" 2
452 1 41 PHE HB2 1 46 ARG HB3 . . 4.310 3.650 3.517 3.792 . 0 0 "[ . 1 . 2]" 2
453 1 41 PHE HB2 1 46 ARG HG3 . . 5.500 5.271 5.075 5.338 . 0 0 "[ . 1 . 2]" 2
454 1 43 MET HA 1 46 ARG QD . . 3.730 2.605 1.988 2.914 . 0 0 "[ . 1 . 2]" 2
455 1 46 ARG HA 1 46 ARG QD . . 4.690 4.372 4.216 4.540 . 0 0 "[ . 1 . 2]" 2
456 1 46 ARG QD 1 47 LEU MD1 . . 5.420 4.467 4.165 4.877 . 0 0 "[ . 1 . 2]" 2
457 1 25 LEU H 1 25 LEU HB2 . . 3.650 2.659 2.584 2.749 . 0 0 "[ . 1 . 2]" 2
458 1 25 LEU HB2 1 30 GLN HG2 . . 4.120 2.202 1.995 2.654 . 0 0 "[ . 1 . 2]" 2
459 1 25 LEU HB2 1 29 GLN QB . . 4.370 3.495 3.299 3.659 . 0 0 "[ . 1 . 2]" 2
460 1 16 ARG HA 1 25 LEU HB3 . . 5.370 5.077 4.618 5.363 . 0 0 "[ . 1 . 2]" 2
461 1 25 LEU HB3 1 30 GLN HG3 . . 4.370 2.938 2.488 3.382 . 0 0 "[ . 1 . 2]" 2
462 1 15 ARG HD2 1 40 VAL MG2 . . 4.450 2.857 1.976 4.442 . 0 0 "[ . 1 . 2]" 2
463 1 15 ARG HA 1 15 ARG HD2 . . 4.490 3.948 2.568 4.473 . 0 0 "[ . 1 . 2]" 2
464 1 60 ARG HA 1 60 ARG QD . . 4.070 3.468 2.231 4.231 0.161 19 0 "[ . 1 . 2]" 2
465 1 60 ARG HB3 1 60 ARG QD . . 3.530 2.536 2.044 3.512 . 0 0 "[ . 1 . 2]" 2
466 1 60 ARG HB2 1 60 ARG QD . . 3.530 2.721 2.051 3.511 . 0 0 "[ . 1 . 2]" 2
467 1 15 ARG HA 1 15 ARG HD3 . . 4.490 3.916 2.366 4.513 0.023 15 0 "[ . 1 . 2]" 2
468 1 17 ARG HA 1 17 ARG HD3 . . 4.800 4.384 3.871 4.806 0.006 15 0 "[ . 1 . 2]" 2
469 1 15 ARG HD3 1 40 VAL MG2 . . 4.450 2.909 1.956 4.400 . 0 0 "[ . 1 . 2]" 2
470 1 17 ARG HA 1 17 ARG HD2 . . 4.800 4.397 3.986 4.803 0.003 10 0 "[ . 1 . 2]" 2
471 1 36 ARG HD3 1 55 PHE QE . . 4.540 3.285 2.590 4.527 . 0 0 "[ . 1 . 2]" 2
472 1 36 ARG HA 1 36 ARG HD3 . . 5.040 4.245 3.914 4.800 . 0 0 "[ . 1 . 2]" 2
473 1 36 ARG HB2 1 36 ARG HD3 . . 3.870 3.019 2.588 3.909 0.039 7 0 "[ . 1 . 2]" 2
474 1 36 ARG HB3 1 36 ARG HD3 . . 3.940 2.426 2.088 3.552 . 0 0 "[ . 1 . 2]" 2
475 1 36 ARG HD2 1 55 PHE QE . . 4.540 3.678 2.781 4.431 . 0 0 "[ . 1 . 2]" 2
476 1 36 ARG HB2 1 36 ARG HD2 . . 3.870 3.189 2.760 3.805 . 0 0 "[ . 1 . 2]" 2
477 1 36 ARG HB3 1 36 ARG HD2 . . 3.940 3.146 2.282 3.630 . 0 0 "[ . 1 . 2]" 2
478 1 31 GLU QB 1 32 LEU HB2 . . 4.750 4.193 4.061 4.770 0.020 16 0 "[ . 1 . 2]" 2
479 1 32 LEU HB3 1 33 GLY HA2 . . 4.940 3.880 3.815 4.468 . 0 0 "[ . 1 . 2]" 2
480 1 31 GLU QB 1 32 LEU HB3 . . 5.500 5.282 5.159 5.329 . 0 0 "[ . 1 . 2]" 2
481 1 32 LEU HB3 1 46 ARG HB3 . . 5.500 5.215 4.908 5.500 0.000 16 0 "[ . 1 . 2]" 2
482 1 11 LYS QE 1 11 LYS HG2 . . 3.560 2.769 2.109 3.525 . 0 0 "[ . 1 . 2]" 2
483 1 11 LYS QE 1 11 LYS HG3 . . 3.560 2.759 2.060 3.486 . 0 0 "[ . 1 . 2]" 2
484 1 23 THR HA 1 24 LYS QE . . 5.430 4.520 2.844 5.133 . 0 0 "[ . 1 . 2]" 2
485 1 24 LYS HA 1 24 LYS QE . . 5.500 4.323 2.579 5.334 . 0 0 "[ . 1 . 2]" 2
486 1 24 LYS QE 1 24 LYS HG3 . . 3.580 2.814 2.181 3.454 . 0 0 "[ . 1 . 2]" 2
487 1 24 LYS QE 1 24 LYS HG2 . . 3.580 2.679 2.094 3.402 . 0 0 "[ . 1 . 2]" 2
488 1 27 LEU QB 1 28 VAL HB . . 5.500 4.281 3.866 5.383 . 0 0 "[ . 1 . 2]" 2
489 1 27 LEU QB 1 30 GLN QB . . 5.500 4.923 4.422 5.211 . 0 0 "[ . 1 . 2]" 2
490 1 39 TYR HB2 1 41 PHE QE . . 4.450 3.028 2.509 3.218 . 0 0 "[ . 1 . 2]" 2
491 1 38 GLY H 1 39 TYR HB2 . . 4.440 3.984 3.929 4.058 . 0 0 "[ . 1 . 2]" 2
492 1 39 TYR HB2 1 41 PHE HZ . . 4.010 2.209 2.041 2.406 . 0 0 "[ . 1 . 2]" 2
493 1 39 TYR HB3 1 41 PHE HZ . . 4.260 2.930 2.811 3.057 . 0 0 "[ . 1 . 2]" 2
494 1 37 CYS HB3 1 55 PHE HB3 . . 4.090 3.902 3.754 3.975 . 0 0 "[ . 1 . 2]" 2
495 1 36 ARG HG3 1 55 PHE HB3 . . 4.980 4.857 4.687 4.983 0.003 14 0 "[ . 1 . 2]" 2
496 1 36 ARG HG3 1 55 PHE HB2 . . 5.500 5.379 5.221 5.494 . 0 0 "[ . 1 . 2]" 2
497 1 37 CYS HA 1 55 PHE HB2 . . 3.800 2.828 2.703 2.909 . 0 0 "[ . 1 . 2]" 2
498 1 37 CYS HB3 1 55 PHE HB2 . . 3.690 2.565 2.420 2.629 . 0 0 "[ . 1 . 2]" 2
499 1 47 LEU HB2 1 48 PRO HD3 . . 4.870 4.698 4.671 4.724 . 0 0 "[ . 1 . 2]" 2
500 1 23 THR HB 1 24 LYS H . . 4.330 4.126 3.922 4.329 . 0 0 "[ . 1 . 2]" 2
501 1 18 CYS HB3 1 23 THR HB . . 4.020 4.018 3.969 4.058 0.038 18 0 "[ . 1 . 2]" 2
502 1 18 CYS HB2 1 23 THR HB . . 4.450 3.993 3.900 4.065 . 0 0 "[ . 1 . 2]" 2
503 1 23 THR HB 1 25 LEU MD2 . . 4.870 4.678 4.456 4.876 0.006 15 0 "[ . 1 . 2]" 2
504 1 47 LEU HB3 1 49 GLU HG2 . . 4.770 2.825 2.471 3.306 . 0 0 "[ . 1 . 2]" 2
505 1 47 LEU HB3 1 49 GLU HG3 . . 4.770 3.693 3.103 4.339 . 0 0 "[ . 1 . 2]" 2
506 1 47 LEU HB3 1 48 PRO QG . . 4.860 3.648 3.573 3.679 . 0 0 "[ . 1 . 2]" 2
507 1 47 LEU HB2 1 50 GLN HG2 . . 4.020 2.078 1.986 2.367 . 0 0 "[ . 1 . 2]" 2
508 1 23 THR HB 1 42 CYS HB3 . . 4.520 4.189 4.044 4.370 . 0 0 "[ . 1 . 2]" 2
509 1 19 PHE QB 1 39 TYR HB2 . . 4.570 4.203 4.153 4.252 . 0 0 "[ . 1 . 2]" 2
510 1 19 PHE QB 1 39 TYR HB3 . . 3.810 2.776 2.727 2.822 . 0 0 "[ . 1 . 2]" 2
511 1 19 PHE QB 1 41 PHE HZ . . 5.500 4.194 4.020 4.240 . 0 0 "[ . 1 . 2]" 2
512 1 19 PHE QB 1 41 PHE QE . . 4.780 2.676 2.452 3.058 . 0 0 "[ . 1 . 2]" 2
513 1 48 PRO HA 1 51 HIS HD1 . . 4.960 3.593 3.524 3.654 . 0 0 "[ . 1 . 2]" 2
514 1 47 LEU HA 1 48 PRO HA . . 4.790 4.391 4.388 4.394 . 0 0 "[ . 1 . 2]" 2
515 1 48 PRO HA 1 53 CYS HA . . 4.480 4.327 4.295 4.368 . 0 0 "[ . 1 . 2]" 2
516 1 48 PRO HA 1 53 CYS HB2 . . 3.080 2.006 1.989 2.082 . 0 0 "[ . 1 . 2]" 2
517 1 26 GLU H 1 26 GLU HG3 . . 4.060 3.042 2.177 3.808 . 0 0 "[ . 1 . 2]" 2
518 1 26 GLU HA 1 26 GLU HG3 . . 4.020 3.037 2.345 3.829 . 0 0 "[ . 1 . 2]" 2
519 1 31 GLU HA 1 31 GLU HG2 . . 4.000 2.670 2.190 3.097 . 0 0 "[ . 1 . 2]" 2
520 1 49 GLU HA 1 49 GLU HG2 . . 4.180 3.755 3.606 3.932 . 0 0 "[ . 1 . 2]" 2
521 1 31 GLU H 1 31 GLU HG3 . . 4.550 3.465 2.468 4.141 . 0 0 "[ . 1 . 2]" 2
522 1 31 GLU HG3 1 32 LEU H . . 5.100 4.653 3.987 4.917 . 0 0 "[ . 1 . 2]" 2
523 1 31 GLU HA 1 31 GLU HG3 . . 4.000 3.553 2.935 3.792 . 0 0 "[ . 1 . 2]" 2
524 1 49 GLU HA 1 49 GLU HG3 . . 4.180 3.871 3.609 4.222 0.042 11 0 "[ . 1 . 2]" 2
525 1 27 LEU QB 1 28 VAL HA . . 4.340 3.856 3.789 3.965 . 0 0 "[ . 1 . 2]" 2
526 1 28 VAL HA 1 28 VAL MG2 . . 3.290 2.480 2.254 3.203 . 0 0 "[ . 1 . 2]" 2
527 1 25 LEU HB3 1 29 GLN QG . . 4.950 3.643 3.105 3.871 . 0 0 "[ . 1 . 2]" 2
528 1 47 LEU MD1 1 50 GLN HG3 . . 4.540 2.872 2.599 4.075 . 0 0 "[ . 1 . 2]" 2
529 1 45 HIS HA 1 50 GLN HG3 . . 4.320 2.709 2.260 3.028 . 0 0 "[ . 1 . 2]" 2
530 1 47 LEU HB2 1 50 GLN HG3 . . 4.020 2.491 2.000 4.028 0.008 11 0 "[ . 1 . 2]" 2
531 1 45 HIS HA 1 50 GLN HG2 . . 4.320 4.045 2.732 4.315 . 0 0 "[ . 1 . 2]" 2
532 1 50 GLN HA 1 50 GLN HG2 . . 3.850 2.919 2.765 3.611 . 0 0 "[ . 1 . 2]" 2
533 1 17 ARG HB2 1 24 LYS HA . . 5.270 5.022 4.550 5.261 . 0 0 "[ . 1 . 2]" 2
534 1 17 ARG HB2 1 18 CYS H . . 4.580 3.850 3.589 4.056 . 0 0 "[ . 1 . 2]" 2
535 1 17 ARG HB3 1 23 THR HA . . 5.000 4.023 3.768 4.239 . 0 0 "[ . 1 . 2]" 2
536 1 17 ARG HB3 1 24 LYS HA . . 5.400 4.040 3.646 4.407 . 0 0 "[ . 1 . 2]" 2
537 1 23 THR HA 1 24 LYS QB . . 4.550 4.382 4.288 4.459 . 0 0 "[ . 1 . 2]" 2
538 1 23 THR HA 1 23 THR MG . . 3.450 3.185 3.171 3.191 . 0 0 "[ . 1 . 2]" 2
539 1 34 SER HB3 1 40 VAL HB . . 5.500 5.478 5.311 5.517 0.017 11 0 "[ . 1 . 2]" 2
540 1 25 LEU MD1 1 29 GLN QG . . 5.260 5.016 4.141 5.231 . 0 0 "[ . 1 . 2]" 2
541 1 25 LEU HB3 1 30 GLN HG2 . . 4.370 3.346 3.030 3.907 . 0 0 "[ . 1 . 2]" 2
542 1 30 GLN HG2 1 40 VAL MG1 . . 4.820 3.468 3.137 3.937 . 0 0 "[ . 1 . 2]" 2
543 1 30 GLN HA 1 30 GLN HG3 . . 3.850 2.988 2.823 3.183 . 0 0 "[ . 1 . 2]" 2
544 1 25 LEU HB2 1 30 GLN HG3 . . 4.120 2.294 2.003 2.522 . 0 0 "[ . 1 . 2]" 2
545 1 25 LEU MD1 1 30 GLN HG3 . . 4.620 3.597 3.229 3.788 . 0 0 "[ . 1 . 2]" 2
546 1 16 ARG HA 1 30 GLN HG3 . . 4.840 3.638 3.112 4.132 . 0 0 "[ . 1 . 2]" 2
547 1 25 LEU MD1 1 40 VAL HB . . 4.170 3.321 3.119 3.626 . 0 0 "[ . 1 . 2]" 2
548 1 33 GLY H 1 34 SER HB3 . . 5.210 4.952 4.883 5.110 . 0 0 "[ . 1 . 2]" 2
549 1 34 SER H 1 34 SER HB3 . . 3.720 2.239 2.203 2.331 . 0 0 "[ . 1 . 2]" 2
550 1 34 SER HB3 1 40 VAL MG2 . . 4.090 2.815 2.516 3.106 . 0 0 "[ . 1 . 2]" 2
551 1 34 SER HB3 1 40 VAL MG1 . . 4.490 3.127 2.935 3.394 . 0 0 "[ . 1 . 2]" 2
552 1 34 SER HB2 1 40 VAL HB . . 5.500 5.489 5.439 5.514 0.014 14 0 "[ . 1 . 2]" 2
553 1 20 GLN QG 1 45 HIS QB . . 4.370 4.057 3.833 4.158 . 0 0 "[ . 1 . 2]" 2
554 1 22 GLN H 1 22 GLN HG3 . . 4.470 3.775 3.196 4.262 . 0 0 "[ . 1 . 2]" 2
555 1 41 PHE QD 1 45 HIS QB . . 4.000 3.095 2.753 3.273 . 0 0 "[ . 1 . 2]" 2
556 1 41 PHE HB3 1 45 HIS QB . . 3.860 2.015 1.906 2.119 . 0 0 "[ . 1 . 2]" 2
557 1 20 GLN QB 1 45 HIS QB . . 3.800 3.015 2.708 3.211 . 0 0 "[ . 1 . 2]" 2
558 1 51 HIS HD2 1 53 CYS HA . . 2.990 2.034 1.997 2.100 . 0 0 "[ . 1 . 2]" 2
559 1 20 GLN QG 1 21 CYS HB3 . . 4.670 4.430 4.242 4.529 . 0 0 "[ . 1 . 2]" 2
560 1 12 GLN HA 1 12 GLN HG3 . . 4.250 2.925 2.360 3.582 . 0 0 "[ . 1 . 2]" 2
561 1 12 GLN HG2 1 39 TYR QD . . 5.210 3.556 1.993 4.779 . 0 0 "[ . 1 . 2]" 2
562 1 12 GLN HA 1 12 GLN HG2 . . 4.250 3.552 2.868 3.795 . 0 0 "[ . 1 . 2]" 2
563 1 24 LYS QB 1 24 LYS QE . . 4.280 2.506 1.999 3.728 . 0 0 "[ . 1 . 2]" 2
564 1 54 THR HA 1 54 THR MG . . 3.330 3.202 3.192 3.207 . 0 0 "[ . 1 . 2]" 2
565 1 35 CYS QB 1 41 PHE QD . . 4.380 2.793 2.671 2.946 . 0 0 "[ . 1 . 2]" 2
566 1 35 CYS QB 1 41 PHE QE . . 4.220 1.980 1.937 2.065 . 0 0 "[ . 1 . 2]" 2
567 1 17 ARG HA 1 18 CYS HB3 . . 5.500 4.965 4.856 5.094 . 0 0 "[ . 1 . 2]" 2
568 1 18 CYS HB3 1 21 CYS HA . . 5.500 4.512 4.418 4.626 . 0 0 "[ . 1 . 2]" 2
569 1 18 CYS HB3 1 42 CYS H . . 4.200 4.194 3.919 4.245 0.045 18 0 "[ . 1 . 2]" 2
570 1 18 CYS HB3 1 42 CYS HB3 . . 4.350 4.113 3.998 4.316 . 0 0 "[ . 1 . 2]" 2
571 1 18 CYS HB3 1 25 LEU MD2 . . 4.240 4.150 3.993 4.243 0.003 12 0 "[ . 1 . 2]" 2
572 1 35 CYS QB 1 46 ARG HA . . 5.180 4.703 4.596 4.874 . 0 0 "[ . 1 . 2]" 2
573 1 18 CYS HB2 1 19 PHE H . . 4.730 3.855 3.836 3.871 . 0 0 "[ . 1 . 2]" 2
574 1 17 ARG HA 1 18 CYS HB2 . . 4.680 4.511 4.480 4.566 . 0 0 "[ . 1 . 2]" 2
575 1 18 CYS HB2 1 42 CYS HB3 . . 3.370 2.555 2.445 2.734 . 0 0 "[ . 1 . 2]" 2
576 1 18 CYS HB2 1 25 LEU HG . . 4.870 4.027 3.765 4.186 . 0 0 "[ . 1 . 2]" 2
577 1 18 CYS HB2 1 25 LEU MD1 . . 4.500 3.553 3.248 3.788 . 0 0 "[ . 1 . 2]" 2
578 1 43 MET HB3 1 44 LEU HG . . 4.510 3.253 3.154 3.315 . 0 0 "[ . 1 . 2]" 2
579 1 42 CYS HB2 1 43 MET HB3 . . 4.760 4.271 3.909 4.447 . 0 0 "[ . 1 . 2]" 2
580 1 58 MET H 1 58 MET HG2 . . 4.570 3.773 2.094 4.587 0.017 9 0 "[ . 1 . 2]" 2
581 1 58 MET HA 1 58 MET HG2 . . 3.930 2.990 2.180 3.879 . 0 0 "[ . 1 . 2]" 2
582 1 58 MET HA 1 58 MET HG3 . . 3.930 3.138 2.419 3.791 . 0 0 "[ . 1 . 2]" 2
583 1 43 MET HB3 1 44 LEU QB . . 5.080 4.915 4.870 5.011 . 0 0 "[ . 1 . 2]" 2
584 1 48 PRO HB3 1 49 GLU H . . 4.440 3.901 3.874 3.977 . 0 0 "[ . 1 . 2]" 2
585 1 48 PRO HB3 1 53 CYS H . . 4.810 4.470 4.369 4.737 . 0 0 "[ . 1 . 2]" 2
586 1 48 PRO HB3 1 57 HIS HD2 . . 4.820 3.919 2.400 4.796 . 0 0 "[ . 1 . 2]" 2
587 1 37 CYS HB3 1 39 TYR QD . . 4.800 4.763 4.539 4.817 0.017 11 0 "[ . 1 . 2]" 2
588 1 37 CYS HB2 1 55 PHE H . . 4.310 3.948 3.762 4.117 . 0 0 "[ . 1 . 2]" 2
589 1 37 CYS H 1 37 CYS HB2 . . 3.920 3.591 3.584 3.593 . 0 0 "[ . 1 . 2]" 2
590 1 37 CYS HB2 1 55 PHE HB2 . . 4.010 3.965 3.812 4.012 0.002 9 0 "[ . 1 . 2]" 2
591 1 28 VAL HB 1 29 GLN H . . 4.780 3.800 2.112 4.179 . 0 0 "[ . 1 . 2]" 2
592 1 20 GLN QG 1 41 PHE QD . . 4.920 4.844 4.593 4.914 . 0 0 "[ . 1 . 2]" 2
593 1 20 GLN QG 1 21 CYS HA . . 4.900 4.492 4.352 4.627 . 0 0 "[ . 1 . 2]" 2
594 1 20 GLN QG 1 51 HIS HA . . 5.170 4.621 3.983 4.955 . 0 0 "[ . 1 . 2]" 2
595 1 48 PRO HB2 1 49 GLU HA . . 4.290 3.937 3.917 3.986 . 0 0 "[ . 1 . 2]" 2
596 1 48 PRO HB2 1 53 CYS HB2 . . 3.840 2.950 2.804 3.036 . 0 0 "[ . 1 . 2]" 2
597 1 19 PHE HA 1 19 PHE QD . . 3.400 3.338 3.051 3.415 0.015 12 0 "[ . 1 . 2]" 2
598 1 18 CYS HB2 1 42 CYS HB2 . . 4.460 4.309 4.202 4.477 0.017 10 0 "[ . 1 . 2]" 2
599 1 42 CYS HB2 1 43 MET HB2 . . 4.760 4.340 4.187 4.699 . 0 0 "[ . 1 . 2]" 2
600 1 23 THR HB 1 42 CYS HB2 . . 5.500 5.144 4.990 5.376 . 0 0 "[ . 1 . 2]" 2
601 1 42 CYS HB3 1 44 LEU H . . 4.860 4.045 4.031 4.070 . 0 0 "[ . 1 . 2]" 2
602 1 42 CYS HB3 1 43 MET H . . 3.820 3.588 3.500 3.744 . 0 0 "[ . 1 . 2]" 2
603 1 53 CYS H 1 53 CYS HB3 . . 3.450 2.827 2.799 2.886 . 0 0 "[ . 1 . 2]" 2
604 1 48 PRO HA 1 53 CYS HB3 . . 3.430 3.274 3.216 3.404 . 0 0 "[ . 1 . 2]" 2
605 1 48 PRO HB2 1 53 CYS HB3 . . 4.210 2.496 2.417 2.612 . 0 0 "[ . 1 . 2]" 2
606 1 16 ARG HB2 1 16 ARG QD . . 3.850 2.398 2.082 3.132 . 0 0 "[ . 1 . 2]" 2
607 1 16 ARG HB3 1 16 ARG QD . . 3.850 2.763 2.287 3.506 . 0 0 "[ . 1 . 2]" 2
608 1 51 HIS HD2 1 53 CYS HB3 . . 4.410 4.403 4.366 4.421 0.011 13 0 "[ . 1 . 2]" 2
609 1 48 PRO HB3 1 53 CYS HB3 . . 3.610 2.881 2.809 3.016 . 0 0 "[ . 1 . 2]" 2
610 1 48 PRO HB3 1 53 CYS HB2 . . 3.620 2.769 2.673 2.935 . 0 0 "[ . 1 . 2]" 2
611 1 33 GLY HA3 1 46 ARG HB3 . . 4.650 3.312 3.159 3.384 . 0 0 "[ . 1 . 2]" 2
612 1 44 LEU H 1 46 ARG HB3 . . 5.200 4.606 4.528 4.675 . 0 0 "[ . 1 . 2]" 2
613 1 46 ARG HB3 1 46 ARG QD . . 3.660 2.675 2.545 2.755 . 0 0 "[ . 1 . 2]" 2
614 1 33 GLY HA2 1 46 ARG HB2 . . 3.960 2.440 2.188 2.721 . 0 0 "[ . 1 . 2]" 2
615 1 46 ARG HB2 1 46 ARG QD . . 3.700 2.315 2.046 2.589 . 0 0 "[ . 1 . 2]" 2
616 1 41 PHE HB2 1 46 ARG HB2 . . 4.590 4.395 4.318 4.461 . 0 0 "[ . 1 . 2]" 2
617 1 55 PHE HA 1 55 PHE QD . . 3.660 2.437 2.183 2.990 . 0 0 "[ . 1 . 2]" 2
618 1 55 PHE HA 1 56 ASP HA . . 4.690 4.423 4.329 4.489 . 0 0 "[ . 1 . 2]" 2
619 1 37 CYS HB3 1 55 PHE HA . . 5.120 4.703 4.526 4.789 . 0 0 "[ . 1 . 2]" 2
620 1 30 GLN H 1 31 GLU QB . . 5.500 4.973 4.850 5.185 . 0 0 "[ . 1 . 2]" 2
621 1 31 GLU QB 1 32 LEU HA . . 4.800 3.822 3.775 3.868 . 0 0 "[ . 1 . 2]" 2
622 1 28 VAL HA 1 31 GLU QB . . 3.980 3.259 3.057 3.718 . 0 0 "[ . 1 . 2]" 2
623 1 20 GLN QB 1 41 PHE QD . . 4.390 2.875 2.709 3.019 . 0 0 "[ . 1 . 2]" 2
624 1 46 ARG HA 1 51 HIS HE1 . . 4.530 4.308 4.164 4.483 . 0 0 "[ . 1 . 2]" 2
625 1 20 GLN QB 1 41 PHE QE . . 4.360 3.827 3.581 4.002 . 0 0 "[ . 1 . 2]" 2
626 1 20 GLN QB 1 45 HIS HD2 . . 5.200 4.542 4.197 4.734 . 0 0 "[ . 1 . 2]" 2
627 1 24 LYS H 1 24 LYS QD . . 4.920 3.235 1.880 4.345 . 0 0 "[ . 1 . 2]" 2
628 1 36 ARG HB2 1 55 PHE QE . . 4.730 3.938 3.681 4.322 . 0 0 "[ . 1 . 2]" 2
629 1 36 ARG HB2 1 55 PHE HB2 . . 4.830 3.562 3.405 3.655 . 0 0 "[ . 1 . 2]" 2
630 1 36 ARG HB2 1 55 PHE QD . . 4.820 3.107 2.811 3.633 . 0 0 "[ . 1 . 2]" 2
631 1 36 ARG HB3 1 55 PHE QE . . 5.110 3.742 3.465 4.267 . 0 0 "[ . 1 . 2]" 2
632 1 36 ARG HB3 1 55 PHE HZ . . 5.500 4.484 4.307 4.687 . 0 0 "[ . 1 . 2]" 2
633 1 36 ARG HB3 1 55 PHE QD . . 5.020 3.923 3.556 4.459 . 0 0 "[ . 1 . 2]" 2
634 1 37 CYS HA 1 39 TYR H . . 5.500 5.178 5.119 5.234 . 0 0 "[ . 1 . 2]" 2
635 1 37 CYS HA 1 55 PHE QE . . 5.500 4.730 4.213 5.089 . 0 0 "[ . 1 . 2]" 2
636 1 37 CYS HA 1 55 PHE QD . . 4.060 3.226 2.324 3.691 . 0 0 "[ . 1 . 2]" 2
637 1 37 CYS HA 1 55 PHE H . . 4.940 4.141 4.041 4.288 . 0 0 "[ . 1 . 2]" 2
638 1 18 CYS HA 1 41 PHE HA . . 3.250 2.251 2.101 2.428 . 0 0 "[ . 1 . 2]" 2
639 1 18 CYS HA 1 19 PHE QB . . 5.150 4.030 4.011 4.057 . 0 0 "[ . 1 . 2]" 2
640 1 18 CYS HA 1 40 VAL MG1 . . 4.520 3.750 3.438 3.964 . 0 0 "[ . 1 . 2]" 2
641 1 18 CYS HA 1 25 LEU MD1 . . 3.650 2.434 2.180 2.694 . 0 0 "[ . 1 . 2]" 2
642 1 18 CYS HA 1 42 CYS HB3 . . 5.020 4.505 4.304 4.654 . 0 0 "[ . 1 . 2]" 2
643 1 18 CYS HA 1 25 LEU HG . . 4.650 4.140 4.007 4.344 . 0 0 "[ . 1 . 2]" 2
644 1 46 ARG HA 1 51 HIS HD1 . . 4.460 4.237 4.103 4.374 . 0 0 "[ . 1 . 2]" 2
645 1 45 HIS H 1 46 ARG HA . . 4.670 4.422 4.351 4.520 . 0 0 "[ . 1 . 2]" 2
646 1 41 PHE QD 1 46 ARG HA . . 4.580 2.646 2.493 2.923 . 0 0 "[ . 1 . 2]" 2
647 1 41 PHE HB3 1 46 ARG HA . . 3.720 3.705 3.653 3.737 0.017 20 0 "[ . 1 . 2]" 2
648 1 41 PHE HB2 1 46 ARG HA . . 3.120 2.023 1.983 2.064 . 0 0 "[ . 1 . 2]" 2
649 1 41 PHE QE 1 51 HIS HB2 . . 4.570 3.276 2.486 3.725 . 0 0 "[ . 1 . 2]" 2
650 1 51 HIS HB2 1 53 CYS HA . . 5.280 4.697 4.662 4.739 . 0 0 "[ . 1 . 2]" 2
651 1 47 LEU H 1 50 GLN HB2 . . 4.730 3.495 3.221 3.641 . 0 0 "[ . 1 . 2]" 2
652 1 45 HIS HA 1 50 GLN HB2 . . 3.550 2.920 2.676 3.054 . 0 0 "[ . 1 . 2]" 2
653 1 47 LEU HB2 1 50 GLN HB2 . . 4.840 2.787 2.438 2.941 . 0 0 "[ . 1 . 2]" 2
654 1 50 GLN HB2 1 51 HIS H . . 4.930 2.667 2.552 2.888 . 0 0 "[ . 1 . 2]" 2
655 1 50 GLN HB3 1 51 HIS H . . 4.930 3.459 3.207 3.584 . 0 0 "[ . 1 . 2]" 2
656 1 47 LEU H 1 50 GLN HB3 . . 4.730 4.612 4.281 4.732 0.002 10 0 "[ . 1 . 2]" 2
657 1 50 GLN H 1 50 GLN HB3 . . 3.870 3.556 3.452 3.581 . 0 0 "[ . 1 . 2]" 2
658 1 45 HIS HA 1 50 GLN HB3 . . 3.550 2.404 2.101 2.531 . 0 0 "[ . 1 . 2]" 2
659 1 47 LEU HB2 1 50 GLN HB3 . . 4.840 4.057 3.910 4.133 . 0 0 "[ . 1 . 2]" 2
660 1 11 LYS QD 1 20 GLN HA . . 4.550 4.450 4.156 4.559 0.009 7 0 "[ . 1 . 2]" 2
661 1 37 CYS HA 1 55 PHE HB3 . . 4.530 4.462 4.290 4.534 0.004 5 0 "[ . 1 . 2]" 2
662 1 12 GLN HB2 1 39 TYR QD . . 3.870 2.234 1.998 2.873 . 0 0 "[ . 1 . 2]" 2
663 1 12 GLN HB3 1 39 TYR QD . . 3.870 3.439 2.669 3.876 0.006 14 0 "[ . 1 . 2]" 2
664 1 36 ARG HA 1 38 GLY H . . 4.250 4.192 4.107 4.250 0.000 20 0 "[ . 1 . 2]" 2
665 1 36 ARG HA 1 36 ARG HD2 . . 5.040 4.755 3.832 4.968 . 0 0 "[ . 1 . 2]" 2
666 1 36 ARG HA 1 36 ARG HG2 . . 3.630 2.642 2.586 2.711 . 0 0 "[ . 1 . 2]" 2
667 1 36 ARG HA 1 36 ARG HG3 . . 3.940 3.557 3.481 3.651 . 0 0 "[ . 1 . 2]" 2
668 1 30 GLN HA 1 30 GLN HG2 . . 3.850 2.525 2.272 2.696 . 0 0 "[ . 1 . 2]" 2
669 1 25 LEU HB3 1 30 GLN HA . . 4.860 3.138 2.883 3.403 . 0 0 "[ . 1 . 2]" 2
670 1 25 LEU MD1 1 30 GLN HA . . 3.960 2.613 2.204 3.010 . 0 0 "[ . 1 . 2]" 2
671 1 29 GLN QB 1 30 GLN H . . 4.400 2.245 2.017 2.343 . 0 0 "[ . 1 . 2]" 2
672 1 25 LEU HB3 1 29 GLN QB . . 3.840 2.051 1.939 2.220 . 0 0 "[ . 1 . 2]" 2
673 1 29 GLN QB 1 32 LEU MD1 . . 5.500 5.189 4.323 5.486 . 0 0 "[ . 1 . 2]" 2
674 1 29 GLN QB 1 32 LEU MD2 . . 5.500 5.231 5.034 5.519 0.019 16 0 "[ . 1 . 2]" 2
675 1 25 LEU HA 1 29 GLN QB . . 4.370 2.869 2.719 3.013 . 0 0 "[ . 1 . 2]" 2
676 1 49 GLU HA 1 52 ASP H . . 4.300 3.559 3.523 3.594 . 0 0 "[ . 1 . 2]" 2
677 1 49 GLU HA 1 49 GLU QB . . 2.740 2.179 2.177 2.180 . 0 0 "[ . 1 . 2]" 2
678 1 43 MET HA 1 45 HIS H . . 4.490 4.320 4.189 4.507 0.017 14 0 "[ . 1 . 2]" 2
679 1 30 GLN QB 1 31 GLU H . . 4.400 2.676 2.572 2.766 . 0 0 "[ . 1 . 2]" 2
680 1 47 LEU MD1 1 49 GLU QB . . 5.260 5.089 5.029 5.249 . 0 0 "[ . 1 . 2]" 2
681 1 18 CYS H 1 24 LYS HA . . 4.750 4.516 4.118 4.750 . 0 0 "[ . 1 . 2]" 2
682 1 17 ARG HA 1 24 LYS HA . . 3.390 3.039 2.468 3.339 . 0 0 "[ . 1 . 2]" 2
683 1 24 LYS HA 1 25 LEU HG . . 3.820 3.619 3.417 3.789 . 0 0 "[ . 1 . 2]" 2
684 1 17 ARG HG2 1 24 LYS HA . . 3.360 2.336 1.997 2.593 . 0 0 "[ . 1 . 2]" 2
685 1 48 PRO HA 1 49 GLU HA . . 4.970 4.804 4.776 4.822 . 0 0 "[ . 1 . 2]" 2
686 1 48 PRO QG 1 53 CYS HB2 . . 4.480 4.429 4.358 4.500 0.020 11 0 "[ . 1 . 2]" 2
687 1 47 LEU HA 1 48 PRO QG . . 4.190 3.990 3.978 4.023 . 0 0 "[ . 1 . 2]" 2
688 1 55 PHE QD 1 57 HIS HA . . 4.210 3.360 2.513 4.115 . 0 0 "[ . 1 . 2]" 2
689 1 20 GLN HA 1 20 GLN QG . . 3.040 2.520 2.119 2.783 . 0 0 "[ . 1 . 2]" 2
690 1 22 GLN HA 1 22 GLN HG3 . . 3.980 3.034 2.340 3.901 . 0 0 "[ . 1 . 2]" 2
691 1 22 GLN HA 1 22 GLN HG2 . . 3.980 3.464 3.099 3.717 . 0 0 "[ . 1 . 2]" 2
692 1 17 ARG HB2 1 22 GLN HA . . 3.770 3.256 3.048 3.303 . 0 0 "[ . 1 . 2]" 2
693 1 17 ARG HB3 1 22 GLN HA . . 3.440 2.510 2.287 2.665 . 0 0 "[ . 1 . 2]" 2
694 1 15 ARG HG2 1 40 VAL MG2 . . 4.650 3.028 2.368 4.408 . 0 0 "[ . 1 . 2]" 2
695 1 15 ARG HA 1 15 ARG HG2 . . 4.160 2.688 2.229 4.170 0.010 1 0 "[ . 1 . 2]" 2
696 1 17 ARG HA 1 17 ARG HG2 . . 3.950 2.490 2.419 2.553 . 0 0 "[ . 1 . 2]" 2
697 1 17 ARG HG3 1 18 CYS H . . 5.450 5.120 4.983 5.313 . 0 0 "[ . 1 . 2]" 2
698 1 17 ARG H 1 17 ARG HG3 . . 4.580 2.781 2.575 3.018 . 0 0 "[ . 1 . 2]" 2
699 1 17 ARG HA 1 17 ARG HG3 . . 4.020 3.319 3.156 3.495 . 0 0 "[ . 1 . 2]" 2
700 1 17 ARG HG3 1 24 LYS HA . . 4.350 4.003 3.506 4.316 . 0 0 "[ . 1 . 2]" 2
701 1 17 ARG HG3 1 22 GLN HA . . 5.390 5.295 5.162 5.430 0.040 15 0 "[ . 1 . 2]" 2
702 1 17 ARG HG2 1 22 GLN HA . . 5.210 5.047 4.807 5.231 0.021 4 0 "[ . 1 . 2]" 2
703 1 17 ARG HG2 1 18 CYS H . . 4.850 4.277 4.154 4.460 . 0 0 "[ . 1 . 2]" 2
704 1 29 GLN HA 1 32 LEU HB2 . . 3.560 2.428 2.252 2.590 . 0 0 "[ . 1 . 2]" 2
705 1 29 GLN HA 1 32 LEU HB3 . . 4.200 3.843 3.398 4.124 . 0 0 "[ . 1 . 2]" 2
706 1 28 VAL MG1 1 29 GLN HA . . 5.460 3.572 3.112 5.417 . 0 0 "[ . 1 . 2]" 2
707 1 29 GLN HA 1 29 GLN QG . . 3.490 2.662 2.330 2.945 . 0 0 "[ . 1 . 2]" 2
708 1 29 GLN HA 1 32 LEU MD2 . . 4.730 3.640 3.404 4.023 . 0 0 "[ . 1 . 2]" 2
709 1 16 ARG H 1 16 ARG HG3 . . 4.670 4.108 2.616 4.633 . 0 0 "[ . 1 . 2]" 2
710 1 16 ARG HA 1 16 ARG HG3 . . 3.890 2.403 2.194 2.736 . 0 0 "[ . 1 . 2]" 2
711 1 16 ARG H 1 16 ARG HG2 . . 4.670 4.542 3.859 4.645 . 0 0 "[ . 1 . 2]" 2
712 1 47 LEU HG 1 48 PRO HD2 . . 4.710 4.202 3.994 4.265 . 0 0 "[ . 1 . 2]" 2
713 1 27 LEU HA 1 27 LEU HG . . 3.960 3.694 3.652 3.742 . 0 0 "[ . 1 . 2]" 2
714 1 39 TYR HA 1 40 VAL MG2 . . 4.290 3.501 3.407 3.736 . 0 0 "[ . 1 . 2]" 2
715 1 33 GLY HA3 1 46 ARG HG2 . . 5.500 5.439 5.314 5.508 0.008 10 0 "[ . 1 . 2]" 2
716 1 44 LEU H 1 46 ARG HG2 . . 5.170 3.833 3.444 4.061 . 0 0 "[ . 1 . 2]" 2
717 1 43 MET HA 1 46 ARG HG2 . . 3.990 2.107 1.995 2.313 . 0 0 "[ . 1 . 2]" 2
718 1 32 LEU H 1 32 LEU HG . . 4.230 3.877 2.074 4.095 . 0 0 "[ . 1 . 2]" 2
719 1 32 LEU HA 1 32 LEU HG . . 4.100 2.497 2.306 3.511 . 0 0 "[ . 1 . 2]" 2
720 1 43 MET HA 1 46 ARG HG3 . . 4.270 3.814 3.691 4.001 . 0 0 "[ . 1 . 2]" 2
721 1 36 ARG HG2 1 37 CYS H . . 4.640 4.590 4.475 4.657 0.017 9 0 "[ . 1 . 2]" 2
722 1 15 ARG HA 1 15 ARG HG3 . . 4.160 3.169 2.363 3.824 . 0 0 "[ . 1 . 2]" 2
723 1 12 GLN HE21 1 15 ARG HA . . 4.580 3.221 2.393 4.057 . 0 0 "[ . 1 . 2]" 2
724 1 12 GLN HG3 1 15 ARG HA . . 4.950 3.801 2.897 4.465 . 0 0 "[ . 1 . 2]" 2
725 1 15 ARG HA 1 40 VAL HB . . 4.010 2.985 2.669 3.256 . 0 0 "[ . 1 . 2]" 2
726 1 15 ARG HA 1 40 VAL MG2 . . 3.540 3.445 3.186 3.567 0.027 17 0 "[ . 1 . 2]" 2
727 1 12 GLN HG2 1 15 ARG HA . . 4.950 3.964 3.003 4.800 . 0 0 "[ . 1 . 2]" 2
728 1 17 ARG HA 1 25 LEU HG . . 3.960 2.294 2.033 2.587 . 0 0 "[ . 1 . 2]" 2
729 1 42 CYS HB2 1 44 LEU HG . . 4.830 3.834 3.650 3.973 . 0 0 "[ . 1 . 2]" 2
730 1 43 MET HB2 1 44 LEU HG . . 4.870 4.714 4.554 4.902 0.032 18 0 "[ . 1 . 2]" 2
731 1 60 ARG HA 1 60 ARG QG . . 3.810 2.572 2.162 3.435 . 0 0 "[ . 1 . 2]" 2
732 1 11 LYS HA 1 11 LYS QD . . 3.610 2.842 2.218 3.631 0.021 4 0 "[ . 1 . 2]" 2
733 1 44 LEU HA 1 44 LEU HG . . 3.850 3.049 2.960 3.163 . 0 0 "[ . 1 . 2]" 2
734 1 17 ARG HA 1 25 LEU MD1 . . 4.620 2.825 2.170 3.179 . 0 0 "[ . 1 . 2]" 2
735 1 25 LEU HB2 1 25 LEU MD1 . . 3.230 2.180 2.044 2.297 . 0 0 "[ . 1 . 2]" 2
736 1 25 LEU HA 1 25 LEU MD1 . . 4.610 3.964 3.944 3.979 . 0 0 "[ . 1 . 2]" 2
737 1 25 LEU MD1 1 40 VAL HA . . 5.160 4.517 4.294 4.812 . 0 0 "[ . 1 . 2]" 2
738 1 18 CYS HB3 1 25 LEU MD1 . . 4.760 4.555 4.251 4.723 . 0 0 "[ . 1 . 2]" 2
739 1 25 LEU MD1 1 30 GLN HG2 . . 4.620 2.660 2.359 3.319 . 0 0 "[ . 1 . 2]" 2
740 1 25 LEU MD1 1 29 GLN QB . . 4.360 3.677 3.333 4.026 . 0 0 "[ . 1 . 2]" 2
741 1 25 LEU HB3 1 25 LEU MD1 . . 3.490 2.525 2.429 2.635 . 0 0 "[ . 1 . 2]" 2
742 1 25 LEU MD1 1 40 VAL MG1 . . 3.140 1.858 1.696 2.114 . 0 0 "[ . 1 . 2]" 2
743 1 47 LEU HB2 1 50 GLN HA . . 4.710 4.599 4.500 4.642 . 0 0 "[ . 1 . 2]" 2
744 1 12 GLN HA 1 19 PHE QD . . 3.950 3.271 1.995 3.961 0.011 11 0 "[ . 1 . 2]" 2
745 1 47 LEU MD1 1 50 GLN HA . . 5.010 4.986 4.878 5.044 0.034 11 0 "[ . 1 . 2]" 2
746 1 45 HIS HD2 1 50 GLN HA . . 4.820 4.384 3.832 4.614 . 0 0 "[ . 1 . 2]" 2
747 1 26 GLU HA 1 26 GLU HG2 . . 4.020 2.909 2.223 3.692 . 0 0 "[ . 1 . 2]" 2
748 1 50 GLN HA 1 50 GLN HG3 . . 3.850 3.618 2.758 3.748 . 0 0 "[ . 1 . 2]" 2
749 1 16 ARG HA 1 16 ARG QD . . 4.060 3.711 2.282 4.102 0.042 16 0 "[ . 1 . 2]" 2
750 1 16 ARG HA 1 16 ARG HG2 . . 3.890 3.099 2.494 3.717 . 0 0 "[ . 1 . 2]" 2
751 1 16 ARG HA 1 25 LEU HB2 . . 3.880 3.413 2.909 3.692 . 0 0 "[ . 1 . 2]" 2
752 1 16 ARG HA 1 25 LEU MD1 . . 4.200 3.300 2.956 3.675 . 0 0 "[ . 1 . 2]" 2
753 1 16 ARG HA 1 25 LEU H . . 4.760 4.306 3.663 4.778 0.018 1 0 "[ . 1 . 2]" 2
754 1 16 ARG HA 1 30 GLN HG2 . . 4.840 2.382 2.000 2.739 . 0 0 "[ . 1 . 2]" 2
755 1 32 LEU H 1 32 LEU MD1 . . 4.470 2.217 1.883 3.695 . 0 0 "[ . 1 . 2]" 2
756 1 24 LYS HA 1 24 LYS HG2 . . 4.040 3.345 2.417 3.725 . 0 0 "[ . 1 . 2]" 2
757 1 32 LEU HA 1 32 LEU MD1 . . 4.230 2.633 2.346 3.769 . 0 0 "[ . 1 . 2]" 2
758 1 29 GLN HA 1 32 LEU MD1 . . 4.730 3.635 2.959 3.985 . 0 0 "[ . 1 . 2]" 2
759 1 47 LEU HA 1 47 LEU MD1 . . 4.160 3.902 3.862 3.917 . 0 0 "[ . 1 . 2]" 2
760 1 47 LEU MD1 1 48 PRO HD2 . . 4.740 4.200 4.090 4.240 . 0 0 "[ . 1 . 2]" 2
761 1 47 LEU MD1 1 50 GLN HG2 . . 4.540 2.481 2.298 2.674 . 0 0 "[ . 1 . 2]" 2
762 1 47 LEU MD1 1 48 PRO HD3 . . 5.310 5.302 5.193 5.335 0.025 9 0 "[ . 1 . 2]" 2
763 1 47 LEU MD1 1 48 PRO QG . . 5.500 5.322 5.226 5.359 . 0 0 "[ . 1 . 2]" 2
764 1 24 LYS HG3 1 25 LEU H . . 5.020 4.457 3.888 4.880 . 0 0 "[ . 1 . 2]" 2
765 1 24 LYS HA 1 24 LYS HG3 . . 4.040 3.197 2.179 4.175 0.135 15 0 "[ . 1 . 2]" 2
766 1 24 LYS HG2 1 25 LEU H . . 5.020 4.626 3.856 4.973 . 0 0 "[ . 1 . 2]" 2
767 1 51 HIS H 1 52 ASP HA . . 4.640 4.540 4.484 4.600 . 0 0 "[ . 1 . 2]" 2
768 1 44 LEU H 1 44 LEU MD1 . . 4.430 3.559 3.295 3.776 . 0 0 "[ . 1 . 2]" 2
769 1 44 LEU HA 1 44 LEU MD1 . . 4.070 3.952 3.915 3.973 . 0 0 "[ . 1 . 2]" 2
770 1 43 MET ME 1 44 LEU MD1 . . 4.670 4.275 3.889 4.678 0.008 18 0 "[ . 1 . 2]" 2
771 1 27 LEU MD1 1 30 GLN QB . . 4.150 3.842 3.523 4.025 . 0 0 "[ . 1 . 2]" 2
772 1 27 LEU QB 1 27 LEU MD1 . . 3.190 2.272 2.220 2.336 . 0 0 "[ . 1 . 2]" 2
773 1 27 LEU HA 1 27 LEU MD1 . . 3.490 2.270 1.977 2.760 . 0 0 "[ . 1 . 2]" 2
774 1 27 LEU HA 1 27 LEU MD2 . . 3.420 2.223 1.951 2.531 . 0 0 "[ . 1 . 2]" 2
775 1 16 ARG QD 1 27 LEU MD2 . . 5.280 4.906 4.170 5.217 . 0 0 "[ . 1 . 2]" 2
776 1 27 LEU MD2 1 30 GLN QB . . 5.240 4.395 3.833 4.942 . 0 0 "[ . 1 . 2]" 2
777 1 27 LEU QB 1 27 LEU MD2 . . 3.210 2.322 2.271 2.407 . 0 0 "[ . 1 . 2]" 2
778 1 27 LEU H 1 27 LEU MD2 . . 4.390 2.590 1.829 3.714 . 0 0 "[ . 1 . 2]" 2
779 1 47 LEU HA 1 47 LEU HG . . 4.170 2.777 2.663 2.812 . 0 0 "[ . 1 . 2]" 2
780 1 17 ARG HA 1 25 LEU MD2 . . 4.330 3.747 3.485 3.950 . 0 0 "[ . 1 . 2]" 2
781 1 25 LEU HA 1 25 LEU MD2 . . 2.980 2.272 2.113 2.419 . 0 0 "[ . 1 . 2]" 2
782 1 18 CYS HA 1 25 LEU MD2 . . 3.690 3.314 3.081 3.518 . 0 0 "[ . 1 . 2]" 2
783 1 25 LEU MD2 1 42 CYS HB2 . . 3.340 3.020 2.861 3.215 . 0 0 "[ . 1 . 2]" 2
784 1 18 CYS HB2 1 25 LEU MD2 . . 3.510 2.642 2.527 2.789 . 0 0 "[ . 1 . 2]" 2
785 1 25 LEU MD2 1 42 CYS HB3 . . 3.260 2.218 2.047 2.382 . 0 0 "[ . 1 . 2]" 2
786 1 25 LEU MD2 1 29 GLN QG . . 3.600 3.195 2.242 3.521 . 0 0 "[ . 1 . 2]" 2
787 1 25 LEU MD2 1 29 GLN QB . . 3.510 2.692 2.243 3.022 . 0 0 "[ . 1 . 2]" 2
788 1 25 LEU MD2 1 40 VAL HB . . 5.500 5.393 5.162 5.523 0.023 19 0 "[ . 1 . 2]" 2
789 1 32 LEU HA 1 32 LEU MD2 . . 4.230 3.683 2.166 3.804 . 0 0 "[ . 1 . 2]" 2
790 1 32 LEU HB3 1 32 LEU MD2 . . 3.330 2.323 2.226 2.482 . 0 0 "[ . 1 . 2]" 2
791 1 44 LEU HA 1 44 LEU MD2 . . 2.900 2.320 2.112 2.519 . 0 0 "[ . 1 . 2]" 2
792 1 43 MET HB3 1 44 LEU MD2 . . 4.220 3.723 3.313 4.062 . 0 0 "[ . 1 . 2]" 2
793 1 43 MET ME 1 44 LEU MD2 . . 4.220 2.545 2.265 2.679 . 0 0 "[ . 1 . 2]" 2
794 1 47 LEU MD2 1 49 GLU HG3 . . 5.030 4.589 4.392 4.817 . 0 0 "[ . 1 . 2]" 2
795 1 47 LEU H 1 47 LEU MD2 . . 4.010 3.793 3.733 3.966 . 0 0 "[ . 1 . 2]" 2
796 1 47 LEU HA 1 47 LEU MD2 . . 2.920 2.494 2.368 2.573 . 0 0 "[ . 1 . 2]" 2
797 1 47 LEU MD2 1 48 PRO HD3 . . 3.620 3.317 2.917 3.403 . 0 0 "[ . 1 . 2]" 2
798 1 47 LEU MD2 1 48 PRO HD2 . . 3.520 2.405 2.094 2.633 . 0 0 "[ . 1 . 2]" 2
799 1 46 ARG QD 1 47 LEU MD2 . . 4.600 4.210 3.605 4.585 . 0 0 "[ . 1 . 2]" 2
800 1 47 LEU MD2 1 49 GLU HG2 . . 5.030 3.835 3.458 4.435 . 0 0 "[ . 1 . 2]" 2
801 1 47 LEU MD2 1 48 PRO QG . . 4.320 3.826 3.576 3.992 . 0 0 "[ . 1 . 2]" 2
802 1 53 CYS HA 1 54 THR MG . . 4.300 3.854 3.780 3.923 . 0 0 "[ . 1 . 2]" 2
803 1 54 THR MG 1 55 PHE HB2 . . 4.690 3.273 3.127 3.462 . 0 0 "[ . 1 . 2]" 2
804 1 40 VAL H 1 40 VAL MG1 . . 3.860 3.827 3.770 3.877 0.017 10 0 "[ . 1 . 2]" 2
805 1 34 SER H 1 40 VAL MG1 . . 4.760 2.669 2.476 2.874 . 0 0 "[ . 1 . 2]" 2
806 1 40 VAL HA 1 40 VAL MG1 . . 3.350 2.399 2.244 2.511 . 0 0 "[ . 1 . 2]" 2
807 1 15 ARG HA 1 40 VAL MG1 . . 4.630 4.016 3.397 4.339 . 0 0 "[ . 1 . 2]" 2
808 1 16 ARG HA 1 40 VAL MG1 . . 5.100 4.493 4.184 4.925 . 0 0 "[ . 1 . 2]" 2
809 1 30 GLN HA 1 40 VAL MG1 . . 3.300 2.356 2.220 2.475 . 0 0 "[ . 1 . 2]" 2
810 1 30 GLN HG3 1 40 VAL MG1 . . 4.820 4.507 4.284 4.777 . 0 0 "[ . 1 . 2]" 2
811 1 30 GLN QB 1 40 VAL MG1 . . 3.970 3.483 3.224 3.804 . 0 0 "[ . 1 . 2]" 2
812 1 18 CYS HB3 1 23 THR MG . . 3.470 2.950 2.834 3.244 . 0 0 "[ . 1 . 2]" 2
813 1 23 THR MG 1 42 CYS HB2 . . 3.670 2.653 2.531 2.825 . 0 0 "[ . 1 . 2]" 2
814 1 18 CYS HB2 1 23 THR MG . . 3.500 2.006 1.955 2.293 . 0 0 "[ . 1 . 2]" 2
815 1 23 THR MG 1 42 CYS HB3 . . 3.310 1.908 1.819 2.026 . 0 0 "[ . 1 . 2]" 2
816 1 23 THR MG 1 25 LEU HA . . 4.830 3.833 3.716 3.969 . 0 0 "[ . 1 . 2]" 2
817 1 23 THR MG 1 24 LYS QB . . 4.950 4.516 4.115 4.814 . 0 0 "[ . 1 . 2]" 2
818 1 28 VAL H 1 28 VAL MG2 . . 3.910 3.432 1.930 3.778 . 0 0 "[ . 1 . 2]" 2
819 1 28 VAL MG2 1 29 GLN H . . 4.550 3.302 1.816 3.809 . 0 0 "[ . 1 . 2]" 2
820 1 28 VAL MG2 1 29 GLN HA . . 5.460 3.604 3.165 5.345 . 0 0 "[ . 1 . 2]" 2
821 1 28 VAL MG2 1 29 GLN QG . . 4.860 4.038 2.266 4.845 . 0 0 "[ . 1 . 2]" 2
822 1 40 VAL MG2 1 41 PHE H . . 4.240 4.007 3.881 4.076 . 0 0 "[ . 1 . 2]" 2
823 1 12 GLN HE21 1 40 VAL MG2 . . 4.840 4.118 3.282 4.771 . 0 0 "[ . 1 . 2]" 2
824 1 40 VAL HA 1 40 VAL MG2 . . 3.490 2.349 2.202 2.434 . 0 0 "[ . 1 . 2]" 2
825 1 34 SER HB2 1 40 VAL MG2 . . 3.720 2.556 2.381 2.728 . 0 0 "[ . 1 . 2]" 2
826 1 30 GLN QB 1 40 VAL MG2 . . 4.320 4.098 3.850 4.345 0.025 14 0 "[ . 1 . 2]" 2
827 1 15 ARG HG3 1 40 VAL MG2 . . 4.650 3.700 1.899 4.654 0.004 1 0 "[ . 1 . 2]" 2
828 1 28 VAL MG1 1 29 GLN H . . 4.550 2.318 1.811 3.946 . 0 0 "[ . 1 . 2]" 2
829 1 28 VAL HA 1 28 VAL MG1 . . 3.290 3.017 2.218 3.203 . 0 0 "[ . 1 . 2]" 2
830 1 28 VAL MG1 1 29 GLN QG . . 4.860 3.223 2.481 4.882 0.022 18 0 "[ . 1 . 2]" 2
831 1 47 LEU HA 1 48 PRO HD3 . . 2.840 2.293 2.286 2.314 . 0 0 "[ . 1 . 2]" 2
832 1 47 LEU HG 1 48 PRO HD3 . . 4.910 4.858 4.649 4.919 0.009 9 0 "[ . 1 . 2]" 2
833 1 47 LEU HB3 1 48 PRO HD3 . . 3.850 3.483 3.435 3.523 . 0 0 "[ . 1 . 2]" 2
834 1 48 PRO HD3 1 49 GLU H . . 4.700 3.872 3.851 3.881 . 0 0 "[ . 1 . 2]" 2
835 1 47 LEU H 1 48 PRO HD3 . . 5.090 5.029 5.009 5.058 . 0 0 "[ . 1 . 2]" 2
836 1 47 LEU HA 1 48 PRO HD2 . . 3.060 2.381 2.361 2.433 . 0 0 "[ . 1 . 2]" 2
837 1 47 LEU HB3 1 48 PRO HD2 . . 3.480 2.043 1.987 2.088 . 0 0 "[ . 1 . 2]" 2
838 1 47 LEU HB2 1 48 PRO HD2 . . 4.020 3.632 3.591 3.673 . 0 0 "[ . 1 . 2]" 2
839 1 63 GLY QA 1 64 PRO QD . . 3.130 1.968 1.843 2.204 . 0 0 "[ . 1 . 2]" 2
840 1 23 THR MG 1 25 LEU MD2 . . 3.200 2.182 1.905 2.391 . 0 0 "[ . 1 . 2]" 2
841 1 47 LEU HB3 1 47 LEU MD2 . . 3.210 2.098 2.029 2.215 . 0 0 "[ . 1 . 2]" 2
842 1 47 LEU HB2 1 47 LEU MD2 . . 3.590 3.126 3.111 3.140 . 0 0 "[ . 1 . 2]" 2
843 1 19 PHE QD 1 39 TYR QE . . 4.450 2.324 2.046 2.997 . 0 0 "[ . 1 . 2]" 2
844 1 19 PHE QE 1 39 TYR QE . . 4.880 2.474 2.007 2.746 . 0 0 "[ . 1 . 2]" 2
845 1 19 PHE HZ 1 39 TYR QE . . 4.940 4.587 3.464 4.925 . 0 0 "[ . 1 . 2]" 2
846 1 21 CYS HB2 1 45 HIS HE1 . . 4.280 3.919 3.645 4.063 . 0 0 "[ . 1 . 2]" 2
847 1 18 CYS HB3 1 22 GLN HA . . 4.490 2.898 2.822 3.075 . 0 0 "[ . 1 . 2]" 2
848 1 46 ARG HG3 1 47 LEU MD1 . . 3.560 3.551 3.482 3.578 0.018 2 0 "[ . 1 . 2]" 2
849 1 32 LEU HB3 1 32 LEU MD1 . . 3.330 3.140 2.293 3.196 . 0 0 "[ . 1 . 2]" 2
850 1 47 LEU HB3 1 47 LEU MD1 . . 3.400 2.611 2.579 2.704 . 0 0 "[ . 1 . 2]" 2
851 1 47 LEU HB2 1 47 LEU MD1 . . 3.140 2.052 1.972 2.123 . 0 0 "[ . 1 . 2]" 2
852 1 30 GLN HA 1 40 VAL HB . . 4.930 4.814 4.687 4.909 . 0 0 "[ . 1 . 2]" 2
853 1 11 LYS HA 1 11 LYS QG . . 3.640 2.730 2.277 3.023 . 0 0 "[ . 1 . 2]" 2
854 1 11 LYS QB 1 11 LYS QE . . 4.570 2.772 1.966 3.759 . 0 0 "[ . 1 . 2]" 2
855 1 11 LYS QB 1 39 TYR QE . . 4.560 3.285 3.014 3.586 . 0 0 "[ . 1 . 2]" 2
856 1 11 LYS QD 1 11 LYS QG . . 2.420 2.035 2.016 2.091 . 0 0 "[ . 1 . 2]" 2
857 1 11 LYS QG 1 20 GLN HA . . 4.250 4.222 4.028 4.286 0.036 10 0 "[ . 1 . 2]" 2
858 1 11 LYS QG 1 39 TYR QD . . 5.340 4.882 4.461 5.257 . 0 0 "[ . 1 . 2]" 2
859 1 11 LYS QG 1 39 TYR QE . . 4.800 4.445 4.182 4.806 0.006 4 0 "[ . 1 . 2]" 2
860 1 12 GLN HA 1 12 GLN QG . . 3.550 2.758 2.285 3.130 . 0 0 "[ . 1 . 2]" 2
861 1 12 GLN QB 1 19 PHE QB . . 3.970 2.747 1.978 3.535 . 0 0 "[ . 1 . 2]" 2
862 1 12 GLN QB 1 19 PHE QD . . 4.230 2.032 1.942 2.286 . 0 0 "[ . 1 . 2]" 2
863 1 12 GLN QB 1 39 TYR HA . . 4.920 4.230 4.017 4.611 . 0 0 "[ . 1 . 2]" 2
864 1 12 GLN QB 1 39 TYR QD . . 3.360 2.187 1.978 2.571 . 0 0 "[ . 1 . 2]" 2
865 1 12 GLN QB 1 39 TYR QE . . 3.900 2.201 1.943 2.890 . 0 0 "[ . 1 . 2]" 2
866 1 12 GLN QG 1 15 ARG HA . . 4.180 3.430 2.625 4.020 . 0 0 "[ . 1 . 2]" 2
867 1 12 GLN QG 1 15 ARG QG . . 4.690 3.320 2.230 4.585 . 0 0 "[ . 1 . 2]" 2
868 1 12 GLN QG 1 19 PHE QD . . 4.440 3.899 2.751 4.154 . 0 0 "[ . 1 . 2]" 2
869 1 12 GLN QG 1 39 TYR QD . . 4.420 3.349 1.964 4.260 . 0 0 "[ . 1 . 2]" 2
870 1 12 GLN QG 1 40 VAL MG2 . . 5.340 4.532 3.871 5.322 . 0 0 "[ . 1 . 2]" 2
871 1 12 GLN QE 1 15 ARG HA . . 3.860 2.683 1.915 3.535 . 0 0 "[ . 1 . 2]" 2
872 1 12 GLN QE 1 18 CYS HA . . 4.120 3.761 3.202 4.183 0.063 10 0 "[ . 1 . 2]" 2
873 1 12 GLN QE 1 19 PHE H . . 3.970 3.725 3.391 3.972 0.002 16 0 "[ . 1 . 2]" 2
874 1 12 GLN QE 1 19 PHE HA . . 4.990 3.422 2.891 3.862 . 0 0 "[ . 1 . 2]" 2
875 1 12 GLN QE 1 19 PHE QB . . 3.780 2.432 1.857 3.044 . 0 0 "[ . 1 . 2]" 2
876 1 12 GLN QE 1 40 VAL H . . 3.580 2.015 1.709 2.911 . 0 0 "[ . 1 . 2]" 2
877 1 12 GLN QE 1 40 VAL HB . . 3.570 2.577 1.893 3.186 . 0 0 "[ . 1 . 2]" 2
878 1 12 GLN QE 1 40 VAL MG1 . . 4.440 3.789 3.125 4.280 . 0 0 "[ . 1 . 2]" 2
879 1 12 GLN QE 1 40 VAL MG2 . . 4.220 3.455 3.002 3.888 . 0 0 "[ . 1 . 2]" 2
880 1 14 SER QB 1 17 ARG HB2 . . 4.620 3.861 2.831 4.622 0.002 19 0 "[ . 1 . 2]" 2
881 1 14 SER QB 1 17 ARG HG3 . . 4.730 3.613 2.704 4.604 . 0 0 "[ . 1 . 2]" 2
882 1 15 ARG HA 1 15 ARG QG . . 3.330 2.415 2.179 3.379 0.049 1 0 "[ . 1 . 2]" 2
883 1 15 ARG HA 1 15 ARG QD . . 3.910 3.431 2.317 3.837 . 0 0 "[ . 1 . 2]" 2
884 1 15 ARG QB 1 15 ARG QD . . 3.200 2.161 2.025 2.622 . 0 0 "[ . 1 . 2]" 2
885 1 15 ARG QB 1 16 ARG H . . 4.000 2.980 2.428 3.881 . 0 0 "[ . 1 . 2]" 2
886 1 15 ARG QB 1 40 VAL MG1 . . 3.940 3.566 3.181 3.943 0.003 18 0 "[ . 1 . 2]" 2
887 1 15 ARG QB 1 40 VAL MG2 . . 3.560 2.505 1.950 3.282 . 0 0 "[ . 1 . 2]" 2
888 1 15 ARG QG 1 40 VAL MG2 . . 3.900 2.740 1.873 3.776 . 0 0 "[ . 1 . 2]" 2
889 1 15 ARG QD 1 40 VAL MG1 . . 4.680 4.302 3.823 4.756 0.076 17 0 "[ . 1 . 2]" 2
890 1 16 ARG HA 1 16 ARG QG . . 3.250 2.283 2.153 2.601 . 0 0 "[ . 1 . 2]" 2
891 1 16 ARG HA 1 30 GLN QG . . 3.970 2.349 1.981 2.674 . 0 0 "[ . 1 . 2]" 2
892 1 16 ARG QB 1 25 LEU H . . 4.710 4.426 3.457 4.733 0.023 3 0 "[ . 1 . 2]" 2
893 1 16 ARG QG 1 25 LEU H . . 4.380 3.481 2.743 4.397 0.017 11 0 "[ . 1 . 2]" 2
894 1 16 ARG QG 1 30 GLN QG . . 4.470 3.322 2.813 3.837 . 0 0 "[ . 1 . 2]" 2
895 1 16 ARG QG 1 30 GLN QE . . 3.740 2.455 1.894 3.649 . 0 0 "[ . 1 . 2]" 2
896 1 16 ARG QD 1 30 GLN QE . . 4.720 3.151 2.146 4.059 . 0 0 "[ . 1 . 2]" 2
897 1 17 ARG H 1 17 ARG QD . . 5.100 4.460 4.201 4.588 . 0 0 "[ . 1 . 2]" 2
898 1 17 ARG HA 1 17 ARG QD . . 4.150 3.864 3.609 4.085 . 0 0 "[ . 1 . 2]" 2
899 1 17 ARG HB2 1 17 ARG QD . . 3.410 2.719 2.381 3.038 . 0 0 "[ . 1 . 2]" 2
900 1 17 ARG HB2 1 22 GLN QB . . 4.830 3.600 3.347 3.855 . 0 0 "[ . 1 . 2]" 2
901 1 17 ARG HB3 1 17 ARG QD . . 3.310 2.271 2.135 2.405 . 0 0 "[ . 1 . 2]" 2
902 1 17 ARG HB3 1 22 GLN QB . . 4.800 3.114 2.619 3.540 . 0 0 "[ . 1 . 2]" 2
903 1 17 ARG QD 1 18 CYS H . . 5.180 4.655 4.419 4.944 . 0 0 "[ . 1 . 2]" 2
904 1 17 ARG QD 1 22 GLN HA . . 4.580 3.951 3.735 4.224 . 0 0 "[ . 1 . 2]" 2
905 1 17 ARG QD 1 22 GLN QB . . 3.740 3.015 2.634 3.424 . 0 0 "[ . 1 . 2]" 2
906 1 17 ARG QD 1 24 LYS HA . . 4.290 3.694 3.294 4.215 . 0 0 "[ . 1 . 2]" 2
907 1 19 PHE H 1 22 GLN QE . . 4.850 4.232 3.958 4.675 . 0 0 "[ . 1 . 2]" 2
908 1 19 PHE QB 1 22 GLN QE . . 4.820 3.922 3.553 4.363 . 0 0 "[ . 1 . 2]" 2
909 1 20 GLN H 1 22 GLN QE . . 3.640 3.280 2.774 3.647 0.007 4 0 "[ . 1 . 2]" 2
910 1 20 GLN HA 1 20 GLN QE . . 4.970 3.893 3.380 4.547 . 0 0 "[ . 1 . 2]" 2
911 1 20 GLN HA 1 22 GLN QE . . 4.710 2.995 2.413 3.577 . 0 0 "[ . 1 . 2]" 2
912 1 20 GLN QB 1 22 GLN QE . . 5.240 4.363 3.935 4.618 . 0 0 "[ . 1 . 2]" 2
913 1 22 GLN H 1 22 GLN QG . . 3.680 3.052 2.520 3.723 0.043 3 0 "[ . 1 . 2]" 2
914 1 22 GLN H 1 22 GLN QE . . 4.500 2.886 1.864 3.385 . 0 0 "[ . 1 . 2]" 2
915 1 22 GLN HA 1 22 GLN QE . . 4.740 3.423 2.946 3.703 . 0 0 "[ . 1 . 2]" 2
916 1 22 GLN QB 1 23 THR H . . 4.360 3.870 3.798 3.901 . 0 0 "[ . 1 . 2]" 2
917 1 23 THR HA 1 24 LYS QG . . 4.860 4.332 3.893 4.877 0.017 1 0 "[ . 1 . 2]" 2
918 1 24 LYS H 1 24 LYS QG . . 3.500 2.609 1.973 3.427 . 0 0 "[ . 1 . 2]" 2
919 1 24 LYS HA 1 24 LYS QG . . 3.530 2.812 2.157 3.383 . 0 0 "[ . 1 . 2]" 2
920 1 24 LYS QG 1 25 LEU H . . 4.360 3.976 3.662 4.286 . 0 0 "[ . 1 . 2]" 2
921 1 25 LEU HB2 1 30 GLN QE . . 4.380 3.630 2.893 4.036 . 0 0 "[ . 1 . 2]" 2
922 1 25 LEU MD1 1 30 GLN QG . . 3.900 2.585 2.323 3.109 . 0 0 "[ . 1 . 2]" 2
923 1 25 LEU MD2 1 30 GLN QG . . 4.760 4.137 3.794 4.358 . 0 0 "[ . 1 . 2]" 2
924 1 26 GLU H 1 26 GLU QB . . 3.070 2.357 2.188 2.658 . 0 0 "[ . 1 . 2]" 2
925 1 26 GLU H 1 26 GLU QG . . 3.440 2.620 1.811 3.439 . 0 0 "[ . 1 . 2]" 2
926 1 26 GLU HA 1 26 GLU QG . . 3.170 2.487 2.174 3.318 0.148 18 0 "[ . 1 . 2]" 2
927 1 26 GLU QB 1 27 LEU H . . 4.060 2.606 2.294 2.822 . 0 0 "[ . 1 . 2]" 2
928 1 26 GLU QB 1 27 LEU QB . . 4.790 3.750 3.580 3.903 . 0 0 "[ . 1 . 2]" 2
929 1 26 GLU QB 1 28 VAL H . . 3.810 2.728 2.523 3.001 . 0 0 "[ . 1 . 2]" 2
930 1 26 GLU QB 1 28 VAL QG . . 3.730 2.257 2.054 3.126 . 0 0 "[ . 1 . 2]" 2
931 1 26 GLU QB 1 29 GLN QG . . 4.600 2.982 2.313 4.328 . 0 0 "[ . 1 . 2]" 2
932 1 26 GLU QG 1 28 VAL QG . . 4.390 3.680 1.751 4.308 . 0 0 "[ . 1 . 2]" 2
933 1 27 LEU HA 1 30 GLN QG . . 5.340 3.663 3.314 3.976 . 0 0 "[ . 1 . 2]" 2
934 1 27 LEU HA 1 31 GLU QG . . 5.340 4.651 3.982 5.104 . 0 0 "[ . 1 . 2]" 2
935 1 27 LEU QB 1 28 VAL QG . . 5.080 3.641 2.914 3.829 . 0 0 "[ . 1 . 2]" 2
936 1 27 LEU MD1 1 30 GLN QG . . 5.200 4.777 4.413 5.172 . 0 0 "[ . 1 . 2]" 2
937 1 27 LEU MD1 1 31 GLU QG . . 5.330 3.757 2.859 4.616 . 0 0 "[ . 1 . 2]" 2
938 1 27 LEU MD2 1 30 GLN QE . . 4.130 2.864 2.384 3.320 . 0 0 "[ . 1 . 2]" 2
939 1 28 VAL H 1 28 VAL QG . . 2.970 1.946 1.862 2.297 . 0 0 "[ . 1 . 2]" 2
940 1 28 VAL HA 1 28 VAL QG . . 2.830 2.276 2.044 2.362 . 0 0 "[ . 1 . 2]" 2
941 1 28 VAL HA 1 31 GLU QG . . 4.590 3.762 3.146 4.387 . 0 0 "[ . 1 . 2]" 2
942 1 28 VAL QG 1 29 GLN H . . 3.940 2.008 1.803 2.810 . 0 0 "[ . 1 . 2]" 2
943 1 28 VAL QG 1 29 GLN HA . . 4.110 3.047 2.908 3.246 . 0 0 "[ . 1 . 2]" 2
944 1 28 VAL QG 1 29 GLN QB . . 4.960 3.267 2.715 4.121 . 0 0 "[ . 1 . 2]" 2
945 1 28 VAL QG 1 29 GLN QG . . 3.790 2.794 2.263 3.799 0.009 3 0 "[ . 1 . 2]" 2
946 1 28 VAL QG 1 29 GLN QE . . 5.090 4.576 3.576 5.031 . 0 0 "[ . 1 . 2]" 2
947 1 28 VAL QG 1 32 LEU H . . 4.850 3.869 3.529 4.592 . 0 0 "[ . 1 . 2]" 2
948 1 28 VAL QG 1 32 LEU HB2 . . 4.120 3.574 3.063 4.123 0.003 16 0 "[ . 1 . 2]" 2
949 1 29 GLN HA 1 29 GLN QE . . 4.110 3.096 1.918 3.652 . 0 0 "[ . 1 . 2]" 2
950 1 29 GLN HA 1 32 LEU QD . . 3.870 3.218 2.887 3.436 . 0 0 "[ . 1 . 2]" 2
951 1 29 GLN QE 1 29 GLN QG . . 3.090 2.342 2.098 2.489 . 0 0 "[ . 1 . 2]" 2
952 1 29 GLN QG 1 32 LEU QD . . 4.980 4.242 3.501 4.456 . 0 0 "[ . 1 . 2]" 2
953 1 29 GLN QE 1 32 LEU QD . . 4.790 4.014 3.041 4.688 . 0 0 "[ . 1 . 2]" 2
954 1 29 GLN QE 1 33 GLY H . . 4.900 3.209 2.355 3.893 . 0 0 "[ . 1 . 2]" 2
955 1 29 GLN QE 1 33 GLY HA3 . . 3.940 3.244 1.890 3.807 . 0 0 "[ . 1 . 2]" 2
956 1 29 GLN QE 1 43 MET H . . 4.840 2.501 1.909 3.296 . 0 0 "[ . 1 . 2]" 2
957 1 29 GLN QE 1 43 MET HA . . 3.920 2.598 2.301 3.006 . 0 0 "[ . 1 . 2]" 2
958 1 29 GLN QE 1 43 MET HB3 . . 4.270 3.742 3.362 4.053 . 0 0 "[ . 1 . 2]" 2
959 1 30 GLN H 1 30 GLN QG . . 3.060 2.103 1.883 2.420 . 0 0 "[ . 1 . 2]" 2
960 1 30 GLN HA 1 30 GLN QG . . 3.360 2.390 2.221 2.498 . 0 0 "[ . 1 . 2]" 2
961 1 30 GLN QE 1 30 GLN QG . . 3.100 2.123 2.068 2.271 . 0 0 "[ . 1 . 2]" 2
962 1 30 GLN QG 1 31 GLU H . . 4.800 4.163 4.030 4.289 . 0 0 "[ . 1 . 2]" 2
963 1 30 GLN QG 1 40 VAL MG1 . . 4.040 3.355 3.083 3.746 . 0 0 "[ . 1 . 2]" 2
964 1 30 GLN QG 1 40 VAL MG2 . . 5.310 4.719 4.430 5.037 . 0 0 "[ . 1 . 2]" 2
965 1 31 GLU H 1 31 GLU QG . . 3.780 2.643 2.347 2.938 . 0 0 "[ . 1 . 2]" 2
966 1 31 GLU H 1 32 LEU QD . . 4.760 3.887 3.761 4.038 . 0 0 "[ . 1 . 2]" 2
967 1 31 GLU HA 1 31 GLU QG . . 3.500 2.593 2.154 2.926 . 0 0 "[ . 1 . 2]" 2
968 1 31 GLU HA 1 32 LEU QD . . 4.740 4.531 4.373 4.735 . 0 0 "[ . 1 . 2]" 2
969 1 31 GLU QB 1 32 LEU QD . . 4.050 2.581 2.461 2.715 . 0 0 "[ . 1 . 2]" 2
970 1 31 GLU QG 1 32 LEU H . . 4.360 4.084 3.754 4.229 . 0 0 "[ . 1 . 2]" 2
971 1 31 GLU QG 1 32 LEU QD . . 4.280 4.164 4.020 4.300 0.020 20 0 "[ . 1 . 2]" 2
972 1 32 LEU H 1 32 LEU QD . . 3.400 2.134 1.880 2.388 . 0 0 "[ . 1 . 2]" 2
973 1 32 LEU HA 1 32 LEU QD . . 2.920 2.510 2.154 2.732 . 0 0 "[ . 1 . 2]" 2
974 1 32 LEU HB3 1 32 LEU QD . . 2.810 2.254 2.116 2.324 . 0 0 "[ . 1 . 2]" 2
975 1 32 LEU QD 1 33 GLY H . . 4.240 3.695 3.644 3.741 . 0 0 "[ . 1 . 2]" 2
976 1 36 ARG HA 1 36 ARG QD . . 4.180 3.923 3.677 4.201 0.021 3 0 "[ . 1 . 2]" 2
977 1 36 ARG HB3 1 36 ARG QD . . 3.410 2.254 2.056 2.604 . 0 0 "[ . 1 . 2]" 2
978 1 36 ARG QD 1 55 PHE QD . . 4.900 3.101 2.585 4.071 . 0 0 "[ . 1 . 2]" 2
979 1 36 ARG QD 1 55 PHE QE . . 3.960 2.943 2.559 3.714 . 0 0 "[ . 1 . 2]" 2
980 1 38 GLY QA 1 39 TYR HA . . 4.900 4.002 4.000 4.004 . 0 0 "[ . 1 . 2]" 2
981 1 45 HIS H 1 50 GLN QB . . 5.340 4.882 4.602 5.006 . 0 0 "[ . 1 . 2]" 2
982 1 45 HIS H 1 50 GLN QG . . 5.340 4.824 4.497 5.013 . 0 0 "[ . 1 . 2]" 2
983 1 45 HIS HA 1 50 GLN QB . . 3.100 2.296 2.029 2.414 . 0 0 "[ . 1 . 2]" 2
984 1 45 HIS HD2 1 50 GLN QG . . 5.030 3.574 2.339 3.952 . 0 0 "[ . 1 . 2]" 2
985 1 46 ARG H 1 50 GLN QG . . 4.410 4.147 4.040 4.378 . 0 0 "[ . 1 . 2]" 2
986 1 47 LEU H 1 50 GLN QB . . 4.050 3.396 3.133 3.529 . 0 0 "[ . 1 . 2]" 2
987 1 47 LEU H 1 50 GLN QG . . 3.180 3.062 2.814 3.199 0.019 11 0 "[ . 1 . 2]" 2
988 1 47 LEU HB2 1 49 GLU QG . . 4.560 3.267 3.157 3.485 . 0 0 "[ . 1 . 2]" 2
989 1 47 LEU HB2 1 50 GLN QG . . 3.420 1.951 1.805 2.351 . 0 0 "[ . 1 . 2]" 2
990 1 47 LEU HB3 1 49 GLU QG . . 3.970 2.731 2.438 3.209 . 0 0 "[ . 1 . 2]" 2
991 1 47 LEU HB3 1 50 GLN QG . . 4.700 3.167 2.981 3.907 . 0 0 "[ . 1 . 2]" 2
992 1 47 LEU MD1 1 49 GLU QG . . 3.660 3.284 3.203 3.586 . 0 0 "[ . 1 . 2]" 2
993 1 47 LEU MD1 1 50 GLN QB . . 4.840 3.905 3.617 4.006 . 0 0 "[ . 1 . 2]" 2
994 1 47 LEU MD1 1 50 GLN QG . . 3.690 2.323 2.172 2.640 . 0 0 "[ . 1 . 2]" 2
995 1 47 LEU MD1 1 50 GLN QE . . 3.780 2.768 1.848 3.704 . 0 0 "[ . 1 . 2]" 2
996 1 47 LEU MD2 1 49 GLU QG . . 4.310 3.636 3.340 4.077 . 0 0 "[ . 1 . 2]" 2
997 1 47 LEU MD2 1 50 GLN QG . . 5.340 4.155 3.977 4.729 . 0 0 "[ . 1 . 2]" 2
998 1 49 GLU HA 1 49 GLU QG . . 3.570 3.367 3.335 3.429 . 0 0 "[ . 1 . 2]" 2
999 1 49 GLU QG 1 50 GLN H . . 2.710 2.269 2.140 2.474 . 0 0 "[ . 1 . 2]" 2
1000 1 50 GLN H 1 50 GLN QB . . 3.130 2.299 2.119 2.380 . 0 0 "[ . 1 . 2]" 2
1001 1 50 GLN H 1 50 GLN QG . . 3.830 2.567 2.307 3.499 . 0 0 "[ . 1 . 2]" 2
1002 1 50 GLN HA 1 50 GLN QG . . 3.180 2.754 2.676 2.844 . 0 0 "[ . 1 . 2]" 2
1003 1 50 GLN QE 1 50 GLN QG . . 2.960 2.141 2.066 2.244 . 0 0 "[ . 1 . 2]" 2
1004 1 52 ASP H 1 52 ASP QB . . 3.610 2.940 2.679 3.277 . 0 0 "[ . 1 . 2]" 2
1005 1 56 ASP H 1 56 ASP QB . . 3.070 2.565 2.347 3.058 . 0 0 "[ . 1 . 2]" 2
1006 1 57 HIS QB 1 58 MET H . . 4.110 3.023 2.197 3.887 . 0 0 "[ . 1 . 2]" 2
1007 1 58 MET H 1 58 MET QB . . 3.430 2.328 2.114 2.626 . 0 0 "[ . 1 . 2]" 2
1008 1 58 MET H 1 58 MET QG . . 3.960 3.182 1.975 4.015 0.055 9 0 "[ . 1 . 2]" 2
1009 1 58 MET QB 1 58 MET QG . . 2.210 2.053 2.004 2.086 . 0 0 "[ . 1 . 2]" 2
1010 1 58 MET ME 1 58 MET QG . . 2.440 2.192 2.070 2.432 . 0 0 "[ . 1 . 2]" 2
1011 1 60 ARG QB 1 60 ARG QG . . 2.340 2.038 2.010 2.085 . 0 0 "[ . 1 . 2]" 2
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