NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506146 |
1wfp   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wfp
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 191
_Distance_constraint_stats_list.Viol_total 13.069
_Distance_constraint_stats_list.Viol_max 0.016
_Distance_constraint_stats_list.Viol_rms 0.0025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0034
_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 28 CYS 0.075 0.008 9 0 "[ . 1 . 2]"
1 31 CYS 0.009 0.004 5 0 "[ . 1 . 2]"
1 42 CYS 0.053 0.007 19 0 "[ . 1 . 2]"
1 44 CYS 0.230 0.016 4 0 "[ . 1 . 2]"
1 49 CYS 0.110 0.009 19 0 "[ . 1 . 2]"
1 52 HIS 0.008 0.002 2 0 "[ . 1 . 2]"
1 58 HIS 0.186 0.015 4 0 "[ . 1 . 2]"
1 60 CYS 0.167 0.013 4 0 "[ . 1 . 2]"
2 1 ZN 0.164 0.009 19 0 "[ . 1 . 2]"
3 1 ZN 0.305 0.016 4 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 28 CYS SG 2 1 ZN ZN . 2.330 2.370 2.359 2.329 2.375 0.005 9 0 "[ . 1 . 2]" 1
2 1 31 CYS SG 2 1 ZN ZN . 2.330 2.370 2.341 2.326 2.370 0.004 5 0 "[ . 1 . 2]" 1
3 1 49 CYS SG 2 1 ZN ZN . 2.330 2.370 2.328 2.321 2.344 0.009 19 0 "[ . 1 . 2]" 1
4 1 52 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.340 2.328 2.371 0.002 2 0 "[ . 1 . 2]" 1
5 1 28 CYS CB 2 1 ZN ZN . 3.250 3.510 3.250 3.242 3.263 0.008 9 0 "[ . 1 . 2]" 1
6 1 31 CYS CB 2 1 ZN ZN . 3.250 3.510 3.365 3.250 3.510 0.000 5 0 "[ . 1 . 2]" 1
7 1 49 CYS CB 2 1 ZN ZN . 3.250 3.510 3.506 3.419 3.516 0.006 10 0 "[ . 1 . 2]" 1
8 1 28 CYS SG 1 31 CYS SG . 3.200 4.000 3.571 3.432 3.672 . 0 0 "[ . 1 . 2]" 1
9 1 28 CYS SG 1 49 CYS SG . 3.200 4.000 3.990 3.934 4.007 0.007 5 0 "[ . 1 . 2]" 1
10 1 28 CYS SG 1 52 HIS ND1 . 3.200 4.000 3.943 3.839 3.999 . 0 0 "[ . 1 . 2]" 1
11 1 31 CYS SG 1 52 HIS ND1 . 3.200 4.000 3.863 3.730 3.996 . 0 0 "[ . 1 . 2]" 1
12 1 31 CYS SG 1 49 CYS SG . 3.200 4.000 3.700 3.559 3.798 . 0 0 "[ . 1 . 2]" 1
13 1 49 CYS SG 1 52 HIS ND1 . 3.200 4.000 3.820 3.581 3.956 . 0 0 "[ . 1 . 2]" 1
14 1 42 CYS SG 3 1 ZN ZN . 2.330 2.370 2.330 2.323 2.353 0.007 19 0 "[ . 1 . 2]" 1
15 1 44 CYS SG 3 1 ZN ZN . 2.330 2.370 2.326 2.314 2.340 0.016 4 0 "[ . 1 . 2]" 1
16 1 58 HIS NE2 3 1 ZN ZN . 2.330 2.370 2.329 2.315 2.347 0.015 4 0 "[ . 1 . 2]" 1
17 1 60 CYS SG 3 1 ZN ZN . 2.330 2.370 2.326 2.317 2.334 0.013 4 0 "[ . 1 . 2]" 1
18 1 42 CYS CB 3 1 ZN ZN . 3.250 3.510 3.396 3.256 3.515 0.005 17 0 "[ . 1 . 2]" 1
19 1 44 CYS CB 3 1 ZN ZN . 3.250 3.510 3.444 3.359 3.513 0.003 6 0 "[ . 1 . 2]" 1
20 1 60 CYS CB 3 1 ZN ZN . 3.250 3.510 3.314 3.244 3.434 0.006 19 0 "[ . 1 . 2]" 1
21 1 42 CYS SG 1 44 CYS SG . 3.200 4.000 3.542 3.287 3.724 . 0 0 "[ . 1 . 2]" 1
22 1 42 CYS SG 1 60 CYS SG . 3.200 4.000 3.687 3.447 3.916 . 0 0 "[ . 1 . 2]" 1
23 1 42 CYS SG 1 58 HIS NE2 . 3.200 4.000 3.340 3.205 3.562 . 0 0 "[ . 1 . 2]" 1
24 1 44 CYS SG 1 58 HIS NE2 . 3.200 4.000 3.995 3.888 4.013 0.013 16 0 "[ . 1 . 2]" 1
25 1 44 CYS SG 1 60 CYS SG . 3.200 4.000 4.001 3.980 4.008 0.008 3 0 "[ . 1 . 2]" 1
26 1 58 HIS NE2 1 60 CYS SG . 3.200 4.000 3.941 3.661 4.007 0.007 4 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 961
_Distance_constraint_stats_list.Viol_count 641
_Distance_constraint_stats_list.Viol_total 226.943
_Distance_constraint_stats_list.Viol_max 0.291
_Distance_constraint_stats_list.Viol_rms 0.0060
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0177
_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 8 THR 0.710 0.242 13 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.001 0.000 6 0 "[ . 1 . 2]"
1 16 ALA 0.209 0.209 16 0 "[ . 1 . 2]"
1 17 PRO 0.209 0.209 16 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASP 0.496 0.291 20 0 "[ . 1 . 2]"
1 20 PRO 0.496 0.291 20 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 18 0 "[ . 1 . 2]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.016 0.009 9 0 "[ . 1 . 2]"
1 26 THR 0.743 0.088 16 0 "[ . 1 . 2]"
1 27 ARG 0.576 0.058 15 0 "[ . 1 . 2]"
1 28 CYS 0.632 0.058 15 0 "[ . 1 . 2]"
1 29 LEU 0.189 0.027 8 0 "[ . 1 . 2]"
1 30 SER 0.129 0.019 5 0 "[ . 1 . 2]"
1 31 CYS 0.278 0.040 2 0 "[ . 1 . 2]"
1 32 ASN 0.075 0.024 3 0 "[ . 1 . 2]"
1 33 LYS 0.563 0.057 13 0 "[ . 1 . 2]"
1 34 LYS 0.159 0.021 9 0 "[ . 1 . 2]"
1 35 VAL 1.152 0.088 16 0 "[ . 1 . 2]"
1 36 GLY 0.058 0.049 6 0 "[ . 1 . 2]"
1 37 VAL 0.052 0.049 6 0 "[ . 1 . 2]"
1 38 THR 0.041 0.024 16 0 "[ . 1 . 2]"
1 39 GLY 0.254 0.058 5 0 "[ . 1 . 2]"
1 40 PHE 0.502 0.070 18 0 "[ . 1 . 2]"
1 41 LYS 0.387 0.041 7 0 "[ . 1 . 2]"
1 42 CYS 0.428 0.057 14 0 "[ . 1 . 2]"
1 43 ARG 1.287 0.145 7 0 "[ . 1 . 2]"
1 44 CYS 0.515 0.057 14 0 "[ . 1 . 2]"
1 45 GLY 0.542 0.038 12 0 "[ . 1 . 2]"
1 46 SER 1.073 0.071 8 0 "[ . 1 . 2]"
1 47 THR 1.400 0.071 8 0 "[ . 1 . 2]"
1 48 PHE 0.621 0.059 19 0 "[ . 1 . 2]"
1 49 CYS 0.467 0.028 5 0 "[ . 1 . 2]"
1 50 GLY 0.176 0.042 5 0 "[ . 1 . 2]"
1 51 THR 0.014 0.009 5 0 "[ . 1 . 2]"
1 52 HIS 0.273 0.040 2 0 "[ . 1 . 2]"
1 53 ARG 0.943 0.070 18 0 "[ . 1 . 2]"
1 54 TYR 0.413 0.037 6 0 "[ . 1 . 2]"
1 55 PRO 1.113 0.067 6 0 "[ . 1 . 2]"
1 56 GLU 0.691 0.067 6 0 "[ . 1 . 2]"
1 57 SER 0.122 0.031 10 0 "[ . 1 . 2]"
1 58 HIS 0.827 0.065 14 0 "[ . 1 . 2]"
1 59 GLU 0.312 0.089 14 0 "[ . 1 . 2]"
1 60 CYS 0.326 0.050 19 0 "[ . 1 . 2]"
1 61 GLN 0.076 0.043 2 0 "[ . 1 . 2]"
1 62 PHE 0.096 0.027 5 0 "[ . 1 . 2]"
1 63 ASP 0.028 0.027 5 0 "[ . 1 . 2]"
1 64 PHE 0.483 0.085 12 0 "[ . 1 . 2]"
1 65 LYS 0.263 0.085 12 0 "[ . 1 . 2]"
1 66 GLY 0.018 0.008 10 0 "[ . 1 . 2]"
1 67 VAL 0.036 0.011 5 0 "[ . 1 . 2]"
1 68 ALA 0.020 0.011 5 0 "[ . 1 . 2]"
1 69 SER 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 28 CYS HA 1 29 LEU H . . 2.800 2.456 2.436 2.481 . 0 0 "[ . 1 . 2]" 2
2 1 28 CYS HB3 1 29 LEU H . . 4.560 3.287 3.212 3.324 . 0 0 "[ . 1 . 2]" 2
3 1 28 CYS HB2 1 29 LEU H . . 4.580 3.856 3.837 3.880 . 0 0 "[ . 1 . 2]" 2
4 1 29 LEU H 1 29 LEU HB3 . . 3.130 2.503 2.431 2.550 . 0 0 "[ . 1 . 2]" 2
5 1 29 LEU H 1 29 LEU HB2 . . 3.050 2.875 2.832 2.921 . 0 0 "[ . 1 . 2]" 2
6 1 43 ARG H 1 64 PHE HZ . . 5.500 5.409 4.895 5.523 0.023 19 0 "[ . 1 . 2]" 2
7 1 42 CYS HA 1 43 ARG H . . 2.960 2.422 2.396 2.452 . 0 0 "[ . 1 . 2]" 2
8 1 42 CYS HB3 1 43 ARG H . . 4.240 3.490 3.342 3.635 . 0 0 "[ . 1 . 2]" 2
9 1 42 CYS HB2 1 43 ARG H . . 4.520 3.818 3.779 3.846 . 0 0 "[ . 1 . 2]" 2
10 1 43 ARG H 1 43 ARG HD3 . . 4.600 4.472 4.325 4.533 . 0 0 "[ . 1 . 2]" 2
11 1 43 ARG H 1 43 ARG HG2 . . 3.260 2.322 2.085 2.439 . 0 0 "[ . 1 . 2]" 2
12 1 43 ARG H 1 43 ARG HB2 . . 3.110 2.833 2.772 2.927 . 0 0 "[ . 1 . 2]" 2
13 1 43 ARG H 1 43 ARG HB3 . . 3.710 3.548 3.518 3.565 . 0 0 "[ . 1 . 2]" 2
14 1 43 ARG H 1 45 GLY H . . 4.970 4.128 4.058 4.289 . 0 0 "[ . 1 . 2]" 2
15 1 41 LYS HB3 1 42 CYS H . . 4.120 3.498 3.211 3.888 . 0 0 "[ . 1 . 2]" 2
16 1 42 CYS H 1 45 GLY H . . 4.680 3.401 3.169 3.841 . 0 0 "[ . 1 . 2]" 2
17 1 42 CYS H 1 44 CYS H . . 4.540 4.506 4.362 4.597 0.057 14 0 "[ . 1 . 2]" 2
18 1 42 CYS H 1 46 SER H . . 4.540 3.983 2.698 4.490 . 0 0 "[ . 1 . 2]" 2
19 1 41 LYS HA 1 42 CYS H . . 2.640 2.337 2.239 2.444 . 0 0 "[ . 1 . 2]" 2
20 1 42 CYS H 1 42 CYS HB3 . . 3.100 2.761 2.621 2.836 . 0 0 "[ . 1 . 2]" 2
21 1 41 LYS HB2 1 42 CYS H . . 4.560 4.025 3.895 4.214 . 0 0 "[ . 1 . 2]" 2
22 1 41 LYS QD 1 42 CYS H . . 4.820 3.726 2.330 4.408 . 0 0 "[ . 1 . 2]" 2
23 1 41 LYS HG2 1 42 CYS H . . 4.000 2.933 1.983 3.966 . 0 0 "[ . 1 . 2]" 2
24 1 41 LYS HG3 1 42 CYS H . . 4.000 2.314 1.959 2.717 . 0 0 "[ . 1 . 2]" 2
25 1 42 CYS H 1 47 THR MG . . 5.480 5.234 4.974 5.477 . 0 0 "[ . 1 . 2]" 2
26 1 42 CYS H 1 48 PHE HE1 . . 4.760 3.782 3.452 4.007 . 0 0 "[ . 1 . 2]" 2
27 1 67 VAL HB 1 68 ALA H . . 4.590 4.038 3.151 4.599 0.009 20 0 "[ . 1 . 2]" 2
28 1 67 VAL MG1 1 68 ALA H . . 5.120 3.432 1.962 4.201 . 0 0 "[ . 1 . 2]" 2
29 1 67 VAL MG2 1 68 ALA H . . 5.120 2.886 1.893 4.209 . 0 0 "[ . 1 . 2]" 2
30 1 67 VAL HA 1 68 ALA H . . 3.530 2.549 2.141 3.525 . 0 0 "[ . 1 . 2]" 2
31 1 41 LYS H 1 47 THR MG . . 4.840 3.899 3.533 4.282 . 0 0 "[ . 1 . 2]" 2
32 1 44 CYS HB3 1 61 GLN H . . 4.840 3.553 3.128 4.130 . 0 0 "[ . 1 . 2]" 2
33 1 40 PHE HA 1 41 LYS H . . 2.830 2.161 2.138 2.267 . 0 0 "[ . 1 . 2]" 2
34 1 41 LYS H 1 41 LYS HB3 . . 3.250 2.781 2.505 2.906 . 0 0 "[ . 1 . 2]" 2
35 1 40 PHE HB3 1 41 LYS H . . 4.100 3.727 3.431 4.062 . 0 0 "[ . 1 . 2]" 2
36 1 40 PHE HB2 1 41 LYS H . . 4.650 4.309 4.166 4.444 . 0 0 "[ . 1 . 2]" 2
37 1 41 LYS H 1 41 LYS HB2 . . 3.300 2.302 2.197 2.546 . 0 0 "[ . 1 . 2]" 2
38 1 41 LYS H 1 41 LYS HG2 . . 4.760 4.606 4.581 4.640 . 0 0 "[ . 1 . 2]" 2
39 1 41 LYS H 1 41 LYS HG3 . . 4.760 4.344 4.211 4.469 . 0 0 "[ . 1 . 2]" 2
40 1 60 CYS HA 1 61 GLN H . . 3.230 2.174 2.140 2.297 . 0 0 "[ . 1 . 2]" 2
41 1 61 GLN H 1 61 GLN HB3 . . 4.200 3.544 2.665 3.618 . 0 0 "[ . 1 . 2]" 2
42 1 27 ARG H 1 34 LYS HA . . 5.150 4.908 4.659 5.091 . 0 0 "[ . 1 . 2]" 2
43 1 15 ALA HA 1 16 ALA H . . 3.100 2.428 2.143 2.950 . 0 0 "[ . 1 . 2]" 2
44 1 16 ALA H 1 16 ALA MB . . 3.410 2.682 2.041 2.898 . 0 0 "[ . 1 . 2]" 2
45 1 33 LYS H 1 34 LYS H . . 4.830 4.530 4.486 4.576 . 0 0 "[ . 1 . 2]" 2
46 1 33 LYS HA 1 34 LYS H . . 2.820 2.199 2.164 2.230 . 0 0 "[ . 1 . 2]" 2
47 1 33 LYS HB2 1 34 LYS H . . 4.150 4.044 3.999 4.112 . 0 0 "[ . 1 . 2]" 2
48 1 34 LYS H 1 34 LYS HB2 . . 3.560 2.391 2.159 2.630 . 0 0 "[ . 1 . 2]" 2
49 1 34 LYS H 1 34 LYS HB3 . . 3.560 2.686 2.416 2.975 . 0 0 "[ . 1 . 2]" 2
50 1 33 LYS HG3 1 34 LYS H . . 3.380 3.085 2.812 3.332 . 0 0 "[ . 1 . 2]" 2
51 1 27 ARG HG2 1 34 LYS H . . 4.050 3.705 3.248 4.041 . 0 0 "[ . 1 . 2]" 2
52 1 27 ARG H 1 28 CYS H . . 4.720 4.406 4.385 4.436 . 0 0 "[ . 1 . 2]" 2
53 1 27 ARG H 1 27 ARG HG3 . . 3.750 3.004 2.868 3.167 . 0 0 "[ . 1 . 2]" 2
54 1 26 THR HA 1 27 ARG H . . 2.810 2.149 2.142 2.190 . 0 0 "[ . 1 . 2]" 2
55 1 27 ARG H 1 27 ARG HB2 . . 3.360 2.953 2.807 3.064 . 0 0 "[ . 1 . 2]" 2
56 1 27 ARG H 1 27 ARG HB3 . . 4.140 3.935 3.859 3.991 . 0 0 "[ . 1 . 2]" 2
57 1 26 THR MG 1 27 ARG H . . 3.410 2.620 2.157 2.909 . 0 0 "[ . 1 . 2]" 2
58 1 27 ARG H 1 47 THR MG . . 5.110 4.702 4.476 5.015 . 0 0 "[ . 1 . 2]" 2
59 1 27 ARG H 1 35 VAL MG2 . . 4.250 3.297 3.082 3.556 . 0 0 "[ . 1 . 2]" 2
60 1 61 GLN H 1 62 PHE H . . 3.710 2.665 2.348 2.898 . 0 0 "[ . 1 . 2]" 2
61 1 62 PHE H 1 63 ASP H . . 4.690 4.561 4.436 4.629 . 0 0 "[ . 1 . 2]" 2
62 1 62 PHE H 1 62 PHE QD . . 4.610 4.157 4.063 4.197 . 0 0 "[ . 1 . 2]" 2
63 1 44 CYS HB3 1 62 PHE H . . 3.970 2.336 2.123 2.553 . 0 0 "[ . 1 . 2]" 2
64 1 62 PHE H 1 62 PHE HB2 . . 3.400 2.694 2.519 2.826 . 0 0 "[ . 1 . 2]" 2
65 1 61 GLN HB2 1 62 PHE H . . 4.790 2.589 2.385 3.598 . 0 0 "[ . 1 . 2]" 2
66 1 14 ALA MB 1 15 ALA H . . 3.950 2.872 2.208 3.701 . 0 0 "[ . 1 . 2]" 2
67 1 62 PHE HA 1 63 ASP H . . 3.170 2.174 2.138 2.244 . 0 0 "[ . 1 . 2]" 2
68 1 62 PHE HB2 1 63 ASP H . . 4.460 4.028 3.809 4.287 . 0 0 "[ . 1 . 2]" 2
69 1 63 ASP H 1 63 ASP HB2 . . 3.580 2.590 2.202 3.560 . 0 0 "[ . 1 . 2]" 2
70 1 63 ASP H 1 63 ASP HB3 . . 3.580 2.865 2.194 3.563 . 0 0 "[ . 1 . 2]" 2
71 1 62 PHE QD 1 63 ASP H . . 4.570 2.923 2.404 3.612 . 0 0 "[ . 1 . 2]" 2
72 1 17 PRO HA 1 18 LEU H . . 2.970 2.490 2.179 2.726 . 0 0 "[ . 1 . 2]" 2
73 1 17 PRO QG 1 18 LEU H . . 4.760 4.066 3.595 4.749 . 0 0 "[ . 1 . 2]" 2
74 1 18 LEU H 1 18 LEU MD1 . . 5.300 3.227 1.763 4.417 . 0 0 "[ . 1 . 2]" 2
75 1 18 LEU H 1 18 LEU MD2 . . 5.300 3.782 1.928 4.839 . 0 0 "[ . 1 . 2]" 2
76 1 64 PHE H 1 64 PHE QD . . 3.540 3.033 2.358 3.541 0.001 2 0 "[ . 1 . 2]" 2
77 1 62 PHE QD 1 64 PHE H . . 5.330 4.996 4.579 5.317 . 0 0 "[ . 1 . 2]" 2
78 1 63 ASP HA 1 64 PHE H . . 2.910 2.158 2.138 2.219 . 0 0 "[ . 1 . 2]" 2
79 1 64 PHE H 1 64 PHE HB3 . . 3.780 3.524 3.470 3.586 . 0 0 "[ . 1 . 2]" 2
80 1 64 PHE H 1 64 PHE HB2 . . 3.780 2.255 2.159 2.432 . 0 0 "[ . 1 . 2]" 2
81 1 63 ASP HB2 1 64 PHE H . . 4.600 4.196 3.292 4.577 . 0 0 "[ . 1 . 2]" 2
82 1 63 ASP HB3 1 64 PHE H . . 4.600 4.004 3.157 4.460 . 0 0 "[ . 1 . 2]" 2
83 1 28 CYS HB3 1 33 LYS H . . 3.010 1.909 1.886 1.971 . 0 0 "[ . 1 . 2]" 2
84 1 31 CYS HB3 1 33 LYS H . . 4.990 4.811 4.566 4.984 . 0 0 "[ . 1 . 2]" 2
85 1 33 LYS H 1 33 LYS HB2 . . 2.930 2.897 2.744 2.944 0.014 3 0 "[ . 1 . 2]" 2
86 1 33 LYS H 1 33 LYS HB3 . . 3.140 2.429 2.373 2.480 . 0 0 "[ . 1 . 2]" 2
87 1 48 PHE H 1 49 CYS H . . 4.660 4.435 4.404 4.463 . 0 0 "[ . 1 . 2]" 2
88 1 27 ARG HA 1 28 CYS H . . 2.760 2.462 2.365 2.513 . 0 0 "[ . 1 . 2]" 2
89 1 28 CYS H 1 32 ASN HA . . 4.040 3.018 2.853 3.267 . 0 0 "[ . 1 . 2]" 2
90 1 28 CYS H 1 28 CYS HB3 . . 2.990 2.757 2.699 2.870 . 0 0 "[ . 1 . 2]" 2
91 1 28 CYS H 1 28 CYS HB2 . . 3.050 2.321 2.254 2.378 . 0 0 "[ . 1 . 2]" 2
92 1 27 ARG HB2 1 28 CYS H . . 3.810 3.329 3.207 3.531 . 0 0 "[ . 1 . 2]" 2
93 1 27 ARG HB3 1 28 CYS H . . 3.350 2.371 2.260 2.567 . 0 0 "[ . 1 . 2]" 2
94 1 27 ARG HA 1 33 LYS H . . 4.610 4.408 4.219 4.593 . 0 0 "[ . 1 . 2]" 2
95 1 32 ASN HA 1 33 LYS H . . 3.560 2.741 2.658 2.841 . 0 0 "[ . 1 . 2]" 2
96 1 64 PHE HB3 1 65 LYS H . . 4.240 2.516 1.967 4.325 0.085 12 0 "[ . 1 . 2]" 2
97 1 64 PHE HB2 1 65 LYS H . . 4.240 3.465 2.470 4.239 . 0 0 "[ . 1 . 2]" 2
98 1 27 ARG HB3 1 33 LYS H . . 4.010 3.275 3.010 3.396 . 0 0 "[ . 1 . 2]" 2
99 1 65 LYS H 1 65 LYS QG . . 4.320 3.506 2.460 4.269 . 0 0 "[ . 1 . 2]" 2
100 1 48 PHE H 1 48 PHE HD1 . . 4.760 2.311 2.031 2.557 . 0 0 "[ . 1 . 2]" 2
101 1 48 PHE H 1 48 PHE HB3 . . 3.900 3.831 3.789 3.902 0.002 3 0 "[ . 1 . 2]" 2
102 1 40 PHE HB2 1 48 PHE H . . 4.240 3.702 3.473 3.845 . 0 0 "[ . 1 . 2]" 2
103 1 48 PHE H 1 48 PHE HB2 . . 3.360 2.758 2.682 2.867 . 0 0 "[ . 1 . 2]" 2
104 1 47 THR MG 1 48 PHE H . . 3.060 2.335 2.051 2.758 . 0 0 "[ . 1 . 2]" 2
105 1 21 PRO HA 1 22 LYS H . . 3.560 2.683 2.156 3.489 . 0 0 "[ . 1 . 2]" 2
106 1 48 PHE H 1 48 PHE HD2 . . 5.420 5.234 5.145 5.336 . 0 0 "[ . 1 . 2]" 2
107 1 40 PHE QD 1 48 PHE H . . 4.800 4.281 4.161 4.419 . 0 0 "[ . 1 . 2]" 2
108 1 30 SER HA 1 32 ASN H . . 4.780 4.273 4.099 4.396 . 0 0 "[ . 1 . 2]" 2
109 1 32 ASN H 1 32 ASN HA . . 2.620 2.284 2.274 2.301 . 0 0 "[ . 1 . 2]" 2
110 1 28 CYS HB3 1 32 ASN H . . 3.290 1.987 1.876 2.188 . 0 0 "[ . 1 . 2]" 2
111 1 32 ASN H 1 32 ASN HB3 . . 4.010 3.751 2.990 4.034 0.024 12 0 "[ . 1 . 2]" 2
112 1 32 ASN H 1 32 ASN HB2 . . 4.010 3.198 2.926 3.973 . 0 0 "[ . 1 . 2]" 2
113 1 27 ARG HB2 1 32 ASN H . . 5.270 5.225 5.069 5.279 0.009 13 0 "[ . 1 . 2]" 2
114 1 29 LEU HA 1 32 ASN H . . 4.910 4.054 3.966 4.098 . 0 0 "[ . 1 . 2]" 2
115 1 59 GLU H 1 60 CYS H . . 4.890 4.163 4.000 4.236 . 0 0 "[ . 1 . 2]" 2
116 1 40 PHE H 1 53 ARG HB3 . . 5.460 4.869 4.453 5.262 . 0 0 "[ . 1 . 2]" 2
117 1 40 PHE H 1 53 ARG HB2 . . 5.500 4.911 4.450 5.347 . 0 0 "[ . 1 . 2]" 2
118 1 40 PHE H 1 40 PHE QE . . 5.050 4.451 4.181 4.823 . 0 0 "[ . 1 . 2]" 2
119 1 40 PHE H 1 40 PHE QD . . 3.510 2.362 2.068 2.769 . 0 0 "[ . 1 . 2]" 2
120 1 40 PHE H 1 49 CYS HA . . 4.730 3.751 3.509 4.145 . 0 0 "[ . 1 . 2]" 2
121 1 39 GLY HA2 1 40 PHE H . . 2.870 2.507 2.310 2.835 . 0 0 "[ . 1 . 2]" 2
122 1 40 PHE H 1 48 PHE HB3 . . 5.500 5.244 4.980 5.481 . 0 0 "[ . 1 . 2]" 2
123 1 39 GLY HA3 1 40 PHE H . . 3.070 2.632 2.323 2.854 . 0 0 "[ . 1 . 2]" 2
124 1 40 PHE H 1 40 PHE HB3 . . 3.930 3.846 3.742 3.939 0.009 14 0 "[ . 1 . 2]" 2
125 1 40 PHE H 1 40 PHE HB2 . . 3.130 2.814 2.654 2.969 . 0 0 "[ . 1 . 2]" 2
126 1 40 PHE H 1 48 PHE HB2 . . 4.980 4.140 3.840 4.373 . 0 0 "[ . 1 . 2]" 2
127 1 40 PHE H 1 47 THR MG . . 3.460 2.581 2.292 2.873 . 0 0 "[ . 1 . 2]" 2
128 1 35 VAL MG2 1 40 PHE H . . 4.160 3.970 3.712 4.181 0.021 16 0 "[ . 1 . 2]" 2
129 1 35 VAL HB 1 40 PHE H . . 4.500 3.792 3.548 4.047 . 0 0 "[ . 1 . 2]" 2
130 1 52 HIS HA 1 54 TYR H . . 4.450 3.597 3.419 3.725 . 0 0 "[ . 1 . 2]" 2
131 1 54 TYR H 1 55 PRO HD2 . . 5.060 4.792 4.775 4.807 . 0 0 "[ . 1 . 2]" 2
132 1 53 ARG HD3 1 54 TYR H . . 4.910 4.464 4.267 4.691 . 0 0 "[ . 1 . 2]" 2
133 1 54 TYR H 1 57 SER H . . 5.030 4.644 4.496 4.864 . 0 0 "[ . 1 . 2]" 2
134 1 54 TYR H 1 57 SER QB . . 3.820 3.395 3.060 3.807 . 0 0 "[ . 1 . 2]" 2
135 1 53 ARG HG2 1 54 TYR H . . 3.600 2.303 2.042 2.749 . 0 0 "[ . 1 . 2]" 2
136 1 54 TYR H 1 54 TYR HB3 . . 3.720 3.591 3.563 3.636 . 0 0 "[ . 1 . 2]" 2
137 1 54 TYR H 1 54 TYR HB2 . . 3.010 2.741 2.609 2.810 . 0 0 "[ . 1 . 2]" 2
138 1 53 ARG HB3 1 54 TYR H . . 4.460 3.859 3.720 3.959 . 0 0 "[ . 1 . 2]" 2
139 1 53 ARG HB2 1 54 TYR H . . 4.780 3.905 3.766 4.020 . 0 0 "[ . 1 . 2]" 2
140 1 51 THR HB 1 52 HIS H . . 3.250 2.552 2.299 3.053 . 0 0 "[ . 1 . 2]" 2
141 1 52 HIS H 1 52 HIS HB2 . . 3.220 2.552 2.517 2.606 . 0 0 "[ . 1 . 2]" 2
142 1 52 HIS H 1 53 ARG HB3 . . 4.630 4.270 3.975 4.493 . 0 0 "[ . 1 . 2]" 2
143 1 51 THR MG 1 52 HIS H . . 3.800 3.557 3.418 3.727 . 0 0 "[ . 1 . 2]" 2
144 1 59 GLU H 1 59 GLU QB . . 3.690 2.445 2.212 2.670 . 0 0 "[ . 1 . 2]" 2
145 1 58 HIS H 1 59 GLU H . . 4.480 4.262 4.145 4.488 0.008 19 0 "[ . 1 . 2]" 2
146 1 49 CYS HB3 1 52 HIS H . . 4.940 4.506 4.390 4.824 . 0 0 "[ . 1 . 2]" 2
147 1 58 HIS HB3 1 59 GLU H . . 4.910 4.302 3.660 4.502 . 0 0 "[ . 1 . 2]" 2
148 1 46 SER H 1 48 PHE HZ . . 5.050 4.783 4.412 5.035 . 0 0 "[ . 1 . 2]" 2
149 1 45 GLY H 1 46 SER H . . 3.180 2.835 2.679 3.202 0.022 13 0 "[ . 1 . 2]" 2
150 1 46 SER H 1 46 SER HB2 . . 3.120 2.315 2.224 2.449 . 0 0 "[ . 1 . 2]" 2
151 1 42 CYS HB3 1 46 SER H . . 4.050 3.605 2.832 4.007 . 0 0 "[ . 1 . 2]" 2
152 1 46 SER H 1 46 SER HB3 . . 3.580 3.562 3.522 3.644 0.064 9 0 "[ . 1 . 2]" 2
153 1 29 LEU MD2 1 46 SER H . . 4.800 4.284 4.033 4.665 . 0 0 "[ . 1 . 2]" 2
154 1 50 GLY H 1 51 THR H . . 4.100 2.816 2.722 2.946 . 0 0 "[ . 1 . 2]" 2
155 1 51 THR H 1 52 HIS H . . 3.010 2.293 1.795 2.547 . 0 0 "[ . 1 . 2]" 2
156 1 51 THR H 1 53 ARG H . . 4.440 3.613 2.776 3.887 . 0 0 "[ . 1 . 2]" 2
157 1 49 CYS HA 1 51 THR H . . 4.890 4.042 3.974 4.133 . 0 0 "[ . 1 . 2]" 2
158 1 50 GLY HA3 1 51 THR H . . 3.510 3.166 2.988 3.464 . 0 0 "[ . 1 . 2]" 2
159 1 51 THR H 1 51 THR HB . . 2.870 2.628 2.578 2.709 . 0 0 "[ . 1 . 2]" 2
160 1 51 THR H 1 52 HIS HB2 . . 5.000 4.686 4.119 4.975 . 0 0 "[ . 1 . 2]" 2
161 1 49 CYS HB3 1 51 THR H . . 4.530 4.158 4.077 4.324 . 0 0 "[ . 1 . 2]" 2
162 1 29 LEU H 1 47 THR H . . 5.110 5.055 4.791 5.130 0.020 16 0 "[ . 1 . 2]" 2
163 1 47 THR H 1 48 PHE H . . 4.750 4.440 4.339 4.526 . 0 0 "[ . 1 . 2]" 2
164 1 46 SER H 1 47 THR H . . 4.630 4.601 4.494 4.637 0.007 13 0 "[ . 1 . 2]" 2
165 1 47 THR H 1 48 PHE HZ . . 5.500 5.485 5.381 5.528 0.028 2 0 "[ . 1 . 2]" 2
166 1 46 SER HA 1 47 THR H . . 2.830 2.435 2.406 2.495 . 0 0 "[ . 1 . 2]" 2
167 1 46 SER HB2 1 47 THR H . . 3.810 3.765 3.608 3.835 0.025 5 0 "[ . 1 . 2]" 2
168 1 47 THR H 1 47 THR HB . . 2.920 2.731 2.630 2.857 . 0 0 "[ . 1 . 2]" 2
169 1 46 SER HB3 1 47 THR H . . 3.080 2.385 2.229 2.458 . 0 0 "[ . 1 . 2]" 2
170 1 29 LEU HB3 1 47 THR H . . 4.880 4.788 4.572 4.876 . 0 0 "[ . 1 . 2]" 2
171 1 29 LEU HB2 1 47 THR H . . 4.000 3.451 3.302 3.555 . 0 0 "[ . 1 . 2]" 2
172 1 35 VAL H 1 47 THR MG . . 5.260 4.737 4.584 4.951 . 0 0 "[ . 1 . 2]" 2
173 1 53 ARG H 1 53 ARG HD2 . . 4.850 4.306 3.641 4.580 . 0 0 "[ . 1 . 2]" 2
174 1 27 ARG HA 1 35 VAL H . . 3.180 1.924 1.883 1.991 . 0 0 "[ . 1 . 2]" 2
175 1 34 LYS HA 1 35 VAL H . . 2.630 2.179 2.150 2.211 . 0 0 "[ . 1 . 2]" 2
176 1 26 THR HB 1 35 VAL H . . 4.720 4.461 4.268 4.656 . 0 0 "[ . 1 . 2]" 2
177 1 34 LYS QD 1 35 VAL H . . 4.050 3.475 3.170 3.728 . 0 0 "[ . 1 . 2]" 2
178 1 27 ARG HG2 1 35 VAL H . . 3.770 3.456 3.259 3.659 . 0 0 "[ . 1 . 2]" 2
179 1 35 VAL H 1 35 VAL MG1 . . 3.280 2.724 2.559 3.010 . 0 0 "[ . 1 . 2]" 2
180 1 35 VAL H 1 35 VAL MG2 . . 2.860 1.883 1.822 1.960 . 0 0 "[ . 1 . 2]" 2
181 1 31 CYS H 1 32 ASN H . . 2.840 2.118 2.026 2.228 . 0 0 "[ . 1 . 2]" 2
182 1 31 CYS H 1 33 LYS H . . 4.140 3.837 3.710 3.927 . 0 0 "[ . 1 . 2]" 2
183 1 31 CYS H 1 32 ASN HA . . 4.360 4.300 4.240 4.351 . 0 0 "[ . 1 . 2]" 2
184 1 28 CYS HB3 1 31 CYS H . . 3.000 2.394 2.276 2.492 . 0 0 "[ . 1 . 2]" 2
185 1 31 CYS H 1 52 HIS HB2 . . 4.670 4.400 4.211 4.673 0.003 18 0 "[ . 1 . 2]" 2
186 1 31 CYS H 1 31 CYS HB3 . . 3.700 2.825 2.769 2.874 . 0 0 "[ . 1 . 2]" 2
187 1 28 CYS H 1 31 CYS H . . 5.470 5.141 5.018 5.267 . 0 0 "[ . 1 . 2]" 2
188 1 50 GLY HA2 1 53 ARG H . . 4.290 3.881 3.621 4.093 . 0 0 "[ . 1 . 2]" 2
189 1 48 PHE HB3 1 53 ARG H . . 4.130 4.051 3.545 4.189 0.059 19 0 "[ . 1 . 2]" 2
190 1 48 PHE HB2 1 53 ARG H . . 4.370 4.104 3.515 4.322 . 0 0 "[ . 1 . 2]" 2
191 1 53 ARG H 1 53 ARG HD3 . . 4.910 4.028 3.296 4.492 . 0 0 "[ . 1 . 2]" 2
192 1 53 ARG H 1 53 ARG HB3 . . 3.060 2.464 2.337 2.597 . 0 0 "[ . 1 . 2]" 2
193 1 53 ARG H 1 53 ARG HG2 . . 3.210 2.333 2.085 2.610 . 0 0 "[ . 1 . 2]" 2
194 1 53 ARG H 1 53 ARG HG3 . . 4.030 3.584 3.185 3.948 . 0 0 "[ . 1 . 2]" 2
195 1 44 CYS H 1 46 SER H . . 4.270 4.110 3.540 4.295 0.025 16 0 "[ . 1 . 2]" 2
196 1 44 CYS H 1 62 PHE QD . . 4.750 4.279 3.989 4.713 . 0 0 "[ . 1 . 2]" 2
197 1 42 CYS HB3 1 44 CYS H . . 3.280 2.837 2.659 3.011 . 0 0 "[ . 1 . 2]" 2
198 1 44 CYS H 1 44 CYS HB3 . . 3.330 2.871 2.801 2.947 . 0 0 "[ . 1 . 2]" 2
199 1 42 CYS HB2 1 44 CYS H . . 4.370 4.255 4.179 4.347 . 0 0 "[ . 1 . 2]" 2
200 1 43 ARG HB2 1 44 CYS H . . 3.790 2.894 2.780 3.008 . 0 0 "[ . 1 . 2]" 2
201 1 43 ARG HB3 1 44 CYS H . . 4.210 4.070 3.995 4.173 . 0 0 "[ . 1 . 2]" 2
202 1 44 CYS H 1 62 PHE HB3 . . 4.560 3.703 3.439 4.021 . 0 0 "[ . 1 . 2]" 2
203 1 29 LEU H 1 49 CYS H . . 4.800 4.383 4.315 4.453 . 0 0 "[ . 1 . 2]" 2
204 1 49 CYS H 1 52 HIS H . . 4.370 3.173 3.078 3.405 . 0 0 "[ . 1 . 2]" 2
205 1 48 PHE HA 1 49 CYS H . . 2.970 2.537 2.497 2.587 . 0 0 "[ . 1 . 2]" 2
206 1 48 PHE HB3 1 49 CYS H . . 3.200 2.207 2.108 2.276 . 0 0 "[ . 1 . 2]" 2
207 1 28 CYS HB2 1 49 CYS H . . 3.380 3.358 3.302 3.391 0.011 19 0 "[ . 1 . 2]" 2
208 1 49 CYS H 1 49 CYS HB3 . . 3.280 2.776 2.727 2.810 . 0 0 "[ . 1 . 2]" 2
209 1 48 PHE HB2 1 49 CYS H . . 3.830 3.251 3.174 3.327 . 0 0 "[ . 1 . 2]" 2
210 1 49 CYS H 1 53 ARG H . . 4.950 4.384 3.839 4.640 . 0 0 "[ . 1 . 2]" 2
211 1 40 PHE QE 1 49 CYS H . . 5.500 5.482 5.377 5.513 0.013 15 0 "[ . 1 . 2]" 2
212 1 49 CYS H 1 53 ARG HB3 . . 5.220 4.733 4.593 4.877 . 0 0 "[ . 1 . 2]" 2
213 1 54 TYR HB3 1 57 SER H . . 4.450 3.681 3.429 3.863 . 0 0 "[ . 1 . 2]" 2
214 1 55 PRO HA 1 57 SER H . . 5.000 4.119 3.973 4.278 . 0 0 "[ . 1 . 2]" 2
215 1 56 GLU QG 1 57 SER H . . 3.940 2.253 2.047 2.571 . 0 0 "[ . 1 . 2]" 2
216 1 56 GLU H 1 57 SER H . . 3.700 2.646 2.439 2.833 . 0 0 "[ . 1 . 2]" 2
217 1 57 SER H 1 57 SER QB . . 3.170 2.231 2.162 2.406 . 0 0 "[ . 1 . 2]" 2
218 1 54 TYR HB2 1 57 SER H . . 3.990 2.628 2.433 2.878 . 0 0 "[ . 1 . 2]" 2
219 1 57 SER QB 1 58 HIS H . . 3.950 2.899 2.770 3.512 . 0 0 "[ . 1 . 2]" 2
220 1 54 TYR HB2 1 58 HIS H . . 5.050 4.447 4.166 4.644 . 0 0 "[ . 1 . 2]" 2
221 1 58 HIS H 1 58 HIS HB2 . . 4.200 3.819 3.763 3.855 . 0 0 "[ . 1 . 2]" 2
222 1 57 SER H 1 58 HIS H . . 3.230 2.437 2.327 2.520 . 0 0 "[ . 1 . 2]" 2
223 1 58 HIS H 1 59 GLU HA . . 5.160 4.946 4.827 5.135 . 0 0 "[ . 1 . 2]" 2
224 1 55 PRO QG 1 58 HIS H . . 5.500 5.436 5.283 5.565 0.065 14 0 "[ . 1 . 2]" 2
225 1 28 CYS HA 1 30 SER H . . 4.230 4.045 4.014 4.102 . 0 0 "[ . 1 . 2]" 2
226 1 25 ALA MB 1 26 THR H . . 4.910 2.310 1.972 2.628 . 0 0 "[ . 1 . 2]" 2
227 1 26 THR H 1 27 ARG H . . 4.930 4.294 3.862 4.591 . 0 0 "[ . 1 . 2]" 2
228 1 30 SER H 1 48 PHE HA . . 4.740 4.277 4.174 4.353 . 0 0 "[ . 1 . 2]" 2
229 1 30 SER H 1 31 CYS H . . 3.110 2.092 1.989 2.178 . 0 0 "[ . 1 . 2]" 2
230 1 30 SER H 1 52 HIS HB3 . . 4.870 4.730 4.482 4.874 0.004 11 0 "[ . 1 . 2]" 2
231 1 30 SER H 1 30 SER HB2 . . 3.010 2.396 2.353 2.448 . 0 0 "[ . 1 . 2]" 2
232 1 29 LEU HB3 1 30 SER H . . 3.530 3.277 3.170 3.328 . 0 0 "[ . 1 . 2]" 2
233 1 29 LEU HB2 1 30 SER H . . 4.300 4.225 4.180 4.275 . 0 0 "[ . 1 . 2]" 2
234 1 29 LEU MD1 1 30 SER H . . 5.400 4.796 4.614 4.932 . 0 0 "[ . 1 . 2]" 2
235 1 29 LEU MD2 1 30 SER H . . 5.500 4.821 4.669 4.946 . 0 0 "[ . 1 . 2]" 2
236 1 26 THR MG 1 36 GLY H . . 4.960 2.045 1.889 2.452 . 0 0 "[ . 1 . 2]" 2
237 1 38 THR H 1 38 THR HB . . 4.050 3.644 3.608 3.697 . 0 0 "[ . 1 . 2]" 2
238 1 35 VAL HB 1 38 THR H . . 5.350 4.907 4.620 5.367 0.017 10 0 "[ . 1 . 2]" 2
239 1 38 THR H 1 38 THR MG . . 3.660 2.262 1.939 2.563 . 0 0 "[ . 1 . 2]" 2
240 1 35 VAL H 1 36 GLY H . . 3.270 2.077 1.909 2.239 . 0 0 "[ . 1 . 2]" 2
241 1 34 LYS HA 1 36 GLY H . . 4.220 3.443 3.343 3.520 . 0 0 "[ . 1 . 2]" 2
242 1 34 LYS QD 1 36 GLY H . . 4.820 3.244 2.624 3.720 . 0 0 "[ . 1 . 2]" 2
243 1 35 VAL MG2 1 36 GLY H . . 3.600 2.283 2.145 2.454 . 0 0 "[ . 1 . 2]" 2
244 1 35 VAL MG2 1 38 THR H . . 5.480 5.037 4.583 5.504 0.024 16 0 "[ . 1 . 2]" 2
245 1 36 GLY HA3 1 38 THR H . . 4.300 3.656 3.283 4.139 . 0 0 "[ . 1 . 2]" 2
246 1 37 VAL HB 1 38 THR H . . 4.740 4.027 3.815 4.208 . 0 0 "[ . 1 . 2]" 2
247 1 37 VAL MG1 1 38 THR H . . 3.850 2.132 1.824 2.423 . 0 0 "[ . 1 . 2]" 2
248 1 43 ARG HA 1 45 GLY H . . 3.860 3.680 3.326 3.898 0.038 12 0 "[ . 1 . 2]" 2
249 1 45 GLY H 1 45 GLY HA2 . . 2.810 2.370 2.294 2.420 . 0 0 "[ . 1 . 2]" 2
250 1 41 LYS QD 1 45 GLY H . . 5.500 5.110 3.442 5.534 0.034 10 0 "[ . 1 . 2]" 2
251 1 45 GLY H 1 46 SER HB2 . . 5.120 4.645 4.490 4.898 . 0 0 "[ . 1 . 2]" 2
252 1 45 GLY H 1 62 PHE HB2 . . 5.500 5.325 4.936 5.509 0.009 16 0 "[ . 1 . 2]" 2
253 1 41 LYS HG2 1 45 GLY H . . 5.290 4.493 3.717 5.319 0.029 16 0 "[ . 1 . 2]" 2
254 1 43 ARG HB2 1 45 GLY H . . 5.500 4.828 4.698 4.949 . 0 0 "[ . 1 . 2]" 2
255 1 41 LYS HG3 1 45 GLY H . . 5.290 4.327 3.898 5.073 . 0 0 "[ . 1 . 2]" 2
256 1 65 LYS HB2 1 66 GLY H . . 5.050 4.187 3.258 4.657 . 0 0 "[ . 1 . 2]" 2
257 1 65 LYS HB3 1 66 GLY H . . 5.050 3.610 2.114 4.498 . 0 0 "[ . 1 . 2]" 2
258 1 65 LYS H 1 66 GLY H . . 4.500 3.511 2.100 4.508 0.008 10 0 "[ . 1 . 2]" 2
259 1 39 GLY H 1 40 PHE H . . 4.770 4.535 4.315 4.648 . 0 0 "[ . 1 . 2]" 2
260 1 38 THR HA 1 39 GLY H . . 3.560 3.153 2.893 3.504 . 0 0 "[ . 1 . 2]" 2
261 1 37 VAL HA 1 39 GLY H . . 4.230 3.542 3.348 3.938 . 0 0 "[ . 1 . 2]" 2
262 1 35 VAL HB 1 39 GLY H . . 4.000 3.220 2.537 3.621 . 0 0 "[ . 1 . 2]" 2
263 1 39 GLY H 1 47 THR MG . . 4.360 3.968 3.654 4.206 . 0 0 "[ . 1 . 2]" 2
264 1 35 VAL MG2 1 39 GLY H . . 3.850 3.663 3.271 3.862 0.012 5 0 "[ . 1 . 2]" 2
265 1 38 THR MG 1 39 GLY H . . 4.570 4.180 3.903 4.344 . 0 0 "[ . 1 . 2]" 2
266 1 35 VAL MG1 1 39 GLY H . . 4.980 4.696 4.013 5.038 0.058 5 0 "[ . 1 . 2]" 2
267 1 52 HIS HA 1 58 HIS HD1 . . 5.200 4.213 3.785 4.436 . 0 0 "[ . 1 . 2]" 2
268 1 54 TYR H 1 58 HIS HD1 . . 5.000 4.117 3.926 4.303 . 0 0 "[ . 1 . 2]" 2
269 1 58 HIS H 1 58 HIS HD1 . . 5.240 2.978 2.844 3.360 . 0 0 "[ . 1 . 2]" 2
270 1 52 HIS HB3 1 58 HIS HD1 . . 4.620 3.777 3.252 4.051 . 0 0 "[ . 1 . 2]" 2
271 1 53 ARG HA 1 58 HIS HD1 . . 5.040 4.231 3.724 4.569 . 0 0 "[ . 1 . 2]" 2
272 1 55 PRO HA 1 58 HIS HD1 . . 4.880 3.023 2.652 3.519 . 0 0 "[ . 1 . 2]" 2
273 1 40 PHE QE 1 50 GLY H . . 4.750 2.084 1.896 2.497 . 0 0 "[ . 1 . 2]" 2
274 1 49 CYS HB2 1 50 GLY H . . 3.480 2.287 2.010 2.523 . 0 0 "[ . 1 . 2]" 2
275 1 49 CYS HB3 1 50 GLY H . . 4.110 3.729 3.551 3.875 . 0 0 "[ . 1 . 2]" 2
276 1 35 VAL MG1 1 50 GLY H . . 4.820 4.013 3.620 4.191 . 0 0 "[ . 1 . 2]" 2
277 1 52 HIS H 1 53 ARG H . . 3.060 2.613 1.933 2.897 . 0 0 "[ . 1 . 2]" 2
278 1 44 CYS H 1 45 GLY H . . 3.150 2.558 2.431 2.744 . 0 0 "[ . 1 . 2]" 2
279 1 43 ARG H 1 44 CYS H . . 3.300 2.746 2.689 2.788 . 0 0 "[ . 1 . 2]" 2
280 1 38 THR H 1 39 GLY H . . 3.590 2.866 2.656 3.013 . 0 0 "[ . 1 . 2]" 2
281 1 32 ASN H 1 33 LYS H . . 3.450 2.870 2.758 3.036 . 0 0 "[ . 1 . 2]" 2
282 1 40 PHE H 1 48 PHE H . . 3.470 2.688 2.321 2.944 . 0 0 "[ . 1 . 2]" 2
283 1 28 CYS H 1 33 LYS H . . 3.780 2.208 2.032 2.468 . 0 0 "[ . 1 . 2]" 2
284 1 51 THR MG 1 52 HIS HD2 . . 3.870 3.575 3.127 3.879 0.009 5 0 "[ . 1 . 2]" 2
285 1 52 HIS HA 1 52 HIS HD2 . . 3.190 2.735 2.584 2.863 . 0 0 "[ . 1 . 2]" 2
286 1 52 HIS HD2 1 57 SER QB . . 3.460 2.877 2.434 3.406 . 0 0 "[ . 1 . 2]" 2
287 1 52 HIS HB3 1 52 HIS HD2 . . 3.820 3.079 2.996 3.192 . 0 0 "[ . 1 . 2]" 2
288 1 53 ARG HD2 1 54 TYR QE . . 4.750 4.464 4.008 4.618 . 0 0 "[ . 1 . 2]" 2
289 1 19 ASP HA 1 20 PRO HD2 . . 2.990 2.293 1.915 2.527 . 0 0 "[ . 1 . 2]" 2
290 1 20 PRO HA 1 21 PRO HD2 . . 3.400 2.272 1.933 2.573 . 0 0 "[ . 1 . 2]" 2
291 1 19 ASP HA 1 20 PRO HD3 . . 2.990 2.350 2.251 3.195 0.205 20 0 "[ . 1 . 2]" 2
292 1 16 ALA HA 1 17 PRO HD3 . . 3.840 2.371 2.257 3.272 . 0 0 "[ . 1 . 2]" 2
293 1 20 PRO HA 1 21 PRO HD3 . . 3.400 2.353 2.270 2.421 . 0 0 "[ . 1 . 2]" 2
294 1 54 TYR HA 1 54 TYR QE . . 4.900 4.876 4.726 4.935 0.035 1 0 "[ . 1 . 2]" 2
295 1 53 ARG HD3 1 54 TYR QE . . 4.250 3.196 2.521 3.552 . 0 0 "[ . 1 . 2]" 2
296 1 53 ARG HG2 1 54 TYR QE . . 4.280 2.893 2.634 3.551 . 0 0 "[ . 1 . 2]" 2
297 1 53 ARG HG3 1 54 TYR QE . . 4.550 3.586 3.169 3.872 . 0 0 "[ . 1 . 2]" 2
298 1 16 ALA HA 1 17 PRO HD2 . . 3.840 2.221 1.915 2.481 . 0 0 "[ . 1 . 2]" 2
299 1 55 PRO HD3 1 56 GLU H . . 4.760 3.846 3.836 3.873 . 0 0 "[ . 1 . 2]" 2
300 1 54 TYR QD 1 55 PRO HD3 . . 4.640 4.419 4.186 4.595 . 0 0 "[ . 1 . 2]" 2
301 1 54 TYR HA 1 55 PRO HD3 . . 2.820 2.278 2.256 2.293 . 0 0 "[ . 1 . 2]" 2
302 1 54 TYR HB3 1 55 PRO HD3 . . 3.840 3.502 3.408 3.673 . 0 0 "[ . 1 . 2]" 2
303 1 54 TYR HB2 1 55 PRO HD3 . . 4.750 4.554 4.440 4.659 . 0 0 "[ . 1 . 2]" 2
304 1 55 PRO HD2 1 56 GLU H . . 4.310 2.678 2.647 2.752 . 0 0 "[ . 1 . 2]" 2
305 1 54 TYR HA 1 55 PRO HD2 . . 2.950 2.338 2.250 2.388 . 0 0 "[ . 1 . 2]" 2
306 1 54 TYR HB3 1 55 PRO HD2 . . 3.410 2.099 1.999 2.290 . 0 0 "[ . 1 . 2]" 2
307 1 54 TYR HB2 1 55 PRO HD2 . . 3.770 3.434 3.272 3.598 . 0 0 "[ . 1 . 2]" 2
308 1 20 PRO HB3 1 21 PRO HD3 . . 4.740 4.156 3.725 4.708 . 0 0 "[ . 1 . 2]" 2
309 1 40 PHE QE 1 50 GLY HA3 . . 4.040 2.862 2.581 3.205 . 0 0 "[ . 1 . 2]" 2
310 1 40 PHE HZ 1 50 GLY HA3 . . 4.630 3.216 2.775 3.508 . 0 0 "[ . 1 . 2]" 2
311 1 40 PHE QD 1 50 GLY HA3 . . 4.610 4.410 4.320 4.572 . 0 0 "[ . 1 . 2]" 2
312 1 49 CYS HA 1 50 GLY HA3 . . 4.810 4.601 4.561 4.637 . 0 0 "[ . 1 . 2]" 2
313 1 50 GLY HA3 1 53 ARG HD3 . . 4.350 3.977 3.480 4.383 0.033 5 0 "[ . 1 . 2]" 2
314 1 50 GLY HA3 1 53 ARG HD2 . . 4.770 4.241 3.553 4.740 . 0 0 "[ . 1 . 2]" 2
315 1 40 PHE QE 1 50 GLY HA2 . . 3.850 2.754 2.382 3.100 . 0 0 "[ . 1 . 2]" 2
316 1 40 PHE QD 1 50 GLY HA2 . . 4.050 3.402 3.206 3.616 . 0 0 "[ . 1 . 2]" 2
317 1 49 CYS HA 1 50 GLY HA2 . . 4.920 4.306 4.297 4.328 . 0 0 "[ . 1 . 2]" 2
318 1 50 GLY HA2 1 53 ARG HB3 . . 4.000 2.583 2.355 2.921 . 0 0 "[ . 1 . 2]" 2
319 1 26 THR MG 1 36 GLY HA3 . . 5.080 3.578 3.471 3.744 . 0 0 "[ . 1 . 2]" 2
320 1 36 GLY HA3 1 37 VAL HA . . 4.530 4.397 4.358 4.433 . 0 0 "[ . 1 . 2]" 2
321 1 36 GLY HA3 1 37 VAL MG1 . . 4.250 3.736 3.642 3.950 . 0 0 "[ . 1 . 2]" 2
322 1 35 VAL MG2 1 36 GLY HA3 . . 4.770 4.232 4.155 4.442 . 0 0 "[ . 1 . 2]" 2
323 1 35 VAL H 1 36 GLY HA2 . . 4.790 4.366 4.174 4.536 . 0 0 "[ . 1 . 2]" 2
324 1 36 GLY HA2 1 37 VAL HA . . 4.540 4.437 4.404 4.489 . 0 0 "[ . 1 . 2]" 2
325 1 36 GLY HA2 1 37 VAL MG1 . . 4.890 4.827 4.702 4.939 0.049 6 0 "[ . 1 . 2]" 2
326 1 35 VAL MG2 1 36 GLY HA2 . . 4.560 3.607 3.487 3.780 . 0 0 "[ . 1 . 2]" 2
327 1 48 PHE HB3 1 52 HIS H . . 4.400 3.801 3.671 3.886 . 0 0 "[ . 1 . 2]" 2
328 1 28 CYS HA 1 48 PHE HB3 . . 4.500 4.359 4.218 4.487 . 0 0 "[ . 1 . 2]" 2
329 1 48 PHE HB3 1 53 ARG HA . . 3.200 3.093 2.975 3.220 0.020 18 0 "[ . 1 . 2]" 2
330 1 48 PHE HB3 1 53 ARG HB3 . . 4.950 4.679 4.588 4.819 . 0 0 "[ . 1 . 2]" 2
331 1 40 PHE HB2 1 48 PHE HB2 . . 4.410 3.320 3.054 3.434 . 0 0 "[ . 1 . 2]" 2
332 1 48 PHE HB2 1 52 HIS H . . 5.000 4.779 4.495 4.957 . 0 0 "[ . 1 . 2]" 2
333 1 48 PHE HB2 1 48 PHE HE1 . . 4.960 4.775 4.753 4.804 . 0 0 "[ . 1 . 2]" 2
334 1 48 PHE HB2 1 53 ARG HB3 . . 4.270 3.919 3.644 4.161 . 0 0 "[ . 1 . 2]" 2
335 1 40 PHE HB3 1 48 PHE HB2 . . 5.010 4.917 4.578 5.027 0.017 19 0 "[ . 1 . 2]" 2
336 1 44 CYS H 1 45 GLY HA2 . . 5.010 4.872 4.807 4.933 . 0 0 "[ . 1 . 2]" 2
337 1 39 GLY HA2 1 49 CYS HA . . 4.480 3.129 3.009 3.255 . 0 0 "[ . 1 . 2]" 2
338 1 39 GLY HA2 1 40 PHE HB2 . . 5.040 4.752 4.657 4.858 . 0 0 "[ . 1 . 2]" 2
339 1 35 VAL MG2 1 39 GLY HA2 . . 3.560 3.397 3.206 3.564 0.004 14 0 "[ . 1 . 2]" 2
340 1 39 GLY HA3 1 40 PHE HA . . 4.930 4.400 4.334 4.493 . 0 0 "[ . 1 . 2]" 2
341 1 27 ARG HA 1 27 ARG HD2 . . 4.930 4.716 4.604 4.801 . 0 0 "[ . 1 . 2]" 2
342 1 27 ARG HD2 1 32 ASN HA . . 4.790 4.461 4.275 4.666 . 0 0 "[ . 1 . 2]" 2
343 1 27 ARG HB2 1 27 ARG HD2 . . 3.500 2.498 2.192 2.739 . 0 0 "[ . 1 . 2]" 2
344 1 27 ARG HA 1 27 ARG HD3 . . 4.930 4.342 4.042 4.647 . 0 0 "[ . 1 . 2]" 2
345 1 27 ARG HD3 1 32 ASN HA . . 4.790 4.487 4.348 4.717 . 0 0 "[ . 1 . 2]" 2
346 1 27 ARG HD3 1 33 LYS HA . . 5.500 3.829 3.286 4.187 . 0 0 "[ . 1 . 2]" 2
347 1 27 ARG HB2 1 27 ARG HD3 . . 3.500 3.083 2.918 3.221 . 0 0 "[ . 1 . 2]" 2
348 1 43 ARG HD2 1 62 PHE QE . . 4.430 3.626 2.666 4.383 . 0 0 "[ . 1 . 2]" 2
349 1 43 ARG H 1 43 ARG HD2 . . 4.600 4.339 4.219 4.408 . 0 0 "[ . 1 . 2]" 2
350 1 43 ARG HD2 1 62 PHE QD . . 4.850 3.770 3.044 4.714 . 0 0 "[ . 1 . 2]" 2
351 1 43 ARG HB3 1 43 ARG HD2 . . 3.750 3.015 2.580 3.535 . 0 0 "[ . 1 . 2]" 2
352 1 43 ARG HD3 1 62 PHE QE . . 4.430 3.082 2.315 4.002 . 0 0 "[ . 1 . 2]" 2
353 1 43 ARG HD3 1 62 PHE QD . . 4.850 3.898 3.056 4.717 . 0 0 "[ . 1 . 2]" 2
354 1 43 ARG HB3 1 43 ARG HD3 . . 3.750 2.242 2.074 2.524 . 0 0 "[ . 1 . 2]" 2
355 1 40 PHE QE 1 53 ARG HD3 . . 4.470 4.235 3.785 4.467 . 0 0 "[ . 1 . 2]" 2
356 1 50 GLY HA2 1 53 ARG HD3 . . 3.900 2.753 2.228 3.229 . 0 0 "[ . 1 . 2]" 2
357 1 40 PHE HB3 1 53 ARG HD3 . . 5.480 5.304 5.092 5.486 0.006 3 0 "[ . 1 . 2]" 2
358 1 53 ARG HB3 1 53 ARG HD3 . . 3.730 3.050 2.702 3.542 . 0 0 "[ . 1 . 2]" 2
359 1 40 PHE QE 1 53 ARG HD2 . . 4.390 3.371 3.022 3.809 . 0 0 "[ . 1 . 2]" 2
360 1 40 PHE HZ 1 53 ARG HD2 . . 5.060 4.225 3.710 4.652 . 0 0 "[ . 1 . 2]" 2
361 1 40 PHE QD 1 53 ARG HD2 . . 3.950 3.035 2.616 3.407 . 0 0 "[ . 1 . 2]" 2
362 1 50 GLY HA2 1 53 ARG HD2 . . 3.990 2.683 1.992 3.195 . 0 0 "[ . 1 . 2]" 2
363 1 40 PHE HB3 1 53 ARG HD2 . . 4.310 3.753 3.372 4.037 . 0 0 "[ . 1 . 2]" 2
364 1 53 ARG HB3 1 53 ARG HD2 . . 3.500 2.453 2.113 2.638 . 0 0 "[ . 1 . 2]" 2
365 1 53 ARG HB2 1 53 ARG HD2 . . 3.900 2.570 2.372 2.977 . 0 0 "[ . 1 . 2]" 2
366 1 40 PHE HB2 1 53 ARG HD2 . . 4.530 3.899 3.646 3.997 . 0 0 "[ . 1 . 2]" 2
367 1 27 ARG HD2 1 33 LYS HA . . 5.500 5.329 4.823 5.529 0.029 12 0 "[ . 1 . 2]" 2
368 1 27 ARG HD2 1 34 LYS HA . . 5.500 4.865 4.590 4.998 . 0 0 "[ . 1 . 2]" 2
369 1 33 LYS HA 1 33 LYS QE . . 4.980 4.716 4.180 4.990 0.010 13 0 "[ . 1 . 2]" 2
370 1 33 LYS QE 1 49 CYS HB2 . . 4.580 3.972 1.959 4.485 . 0 0 "[ . 1 . 2]" 2
371 1 33 LYS HB2 1 33 LYS QE . . 4.090 3.701 2.146 4.147 0.057 13 0 "[ . 1 . 2]" 2
372 1 33 LYS QE 1 33 LYS HG3 . . 3.490 2.544 2.182 3.456 . 0 0 "[ . 1 . 2]" 2
373 1 33 LYS QE 1 33 LYS HG2 . . 3.530 2.664 2.086 3.441 . 0 0 "[ . 1 . 2]" 2
374 1 33 LYS QE 1 35 VAL MG1 . . 4.890 4.276 1.973 4.894 0.004 10 0 "[ . 1 . 2]" 2
375 1 25 ALA HA 1 34 LYS QE . . 5.480 4.948 3.980 5.489 0.009 9 0 "[ . 1 . 2]" 2
376 1 22 LYS HA 1 22 LYS QE . . 4.990 3.858 1.942 4.841 . 0 0 "[ . 1 . 2]" 2
377 1 34 LYS HA 1 34 LYS QE . . 5.200 3.994 3.571 4.461 . 0 0 "[ . 1 . 2]" 2
378 1 34 LYS HB2 1 34 LYS QE . . 4.350 3.534 1.995 4.358 0.008 11 0 "[ . 1 . 2]" 2
379 1 65 LYS QE 1 65 LYS QG . . 3.360 2.230 2.044 2.604 . 0 0 "[ . 1 . 2]" 2
380 1 41 LYS QE 1 45 GLY H . . 5.470 4.844 3.912 5.449 . 0 0 "[ . 1 . 2]" 2
381 1 41 LYS QE 1 41 LYS HG2 . . 3.630 2.715 2.073 3.297 . 0 0 "[ . 1 . 2]" 2
382 1 41 LYS QE 1 41 LYS HG3 . . 3.630 2.425 2.095 3.483 . 0 0 "[ . 1 . 2]" 2
383 1 41 LYS QE 1 45 GLY HA3 . . 4.540 3.956 3.203 4.567 0.027 14 0 "[ . 1 . 2]" 2
384 1 41 LYS QE 1 45 GLY HA2 . . 3.690 2.933 1.983 3.690 . 13 0 "[ . 1 . 2]" 2
385 1 41 LYS HB3 1 41 LYS QE . . 4.430 4.114 3.585 4.435 0.005 19 0 "[ . 1 . 2]" 2
386 1 41 LYS QE 1 47 THR MG . . 5.040 4.742 3.759 5.044 0.004 1 0 "[ . 1 . 2]" 2
387 1 29 LEU HB3 1 48 PHE HZ . . 4.300 3.224 2.934 3.387 . 0 0 "[ . 1 . 2]" 2
388 1 28 CYS HA 1 29 LEU HB3 . . 4.800 4.709 4.651 4.751 . 0 0 "[ . 1 . 2]" 2
389 1 29 LEU HB3 1 29 LEU MD2 . . 3.160 2.218 2.058 2.347 . 0 0 "[ . 1 . 2]" 2
390 1 29 LEU HB2 1 48 PHE HZ . . 4.450 4.060 3.874 4.214 . 0 0 "[ . 1 . 2]" 2
391 1 28 CYS HA 1 29 LEU HB2 . . 4.440 4.382 4.330 4.467 0.027 8 0 "[ . 1 . 2]" 2
392 1 29 LEU HB2 1 29 LEU MD2 . . 3.550 2.476 2.324 2.600 . 0 0 "[ . 1 . 2]" 2
393 1 40 PHE HB3 1 47 THR MG . . 5.500 5.437 5.274 5.513 0.013 9 0 "[ . 1 . 2]" 2
394 1 40 PHE HB3 1 53 ARG HG2 . . 5.500 5.385 5.042 5.504 0.004 7 0 "[ . 1 . 2]" 2
395 1 40 PHE HB3 1 53 ARG HB2 . . 3.600 2.524 2.255 2.670 . 0 0 "[ . 1 . 2]" 2
396 1 39 GLY HA3 1 40 PHE HB2 . . 5.500 5.352 5.039 5.496 . 0 0 "[ . 1 . 2]" 2
397 1 40 PHE HB2 1 53 ARG HD3 . . 5.500 5.236 4.900 5.516 0.016 19 0 "[ . 1 . 2]" 2
398 1 40 PHE HB2 1 53 ARG HB3 . . 4.030 2.745 2.230 3.092 . 0 0 "[ . 1 . 2]" 2
399 1 40 PHE HB2 1 53 ARG HB2 . . 4.160 2.180 1.993 2.428 . 0 0 "[ . 1 . 2]" 2
400 1 40 PHE HB2 1 53 ARG HG3 . . 4.630 4.541 4.313 4.700 0.070 18 0 "[ . 1 . 2]" 2
401 1 62 PHE H 1 62 PHE HB3 . . 3.420 2.394 2.272 2.604 . 0 0 "[ . 1 . 2]" 2
402 1 62 PHE HB3 1 63 ASP H . . 4.390 4.258 4.095 4.417 0.027 5 0 "[ . 1 . 2]" 2
403 1 44 CYS HB3 1 62 PHE HB3 . . 3.810 2.500 2.382 2.624 . 0 0 "[ . 1 . 2]" 2
404 1 43 ARG HG3 1 62 PHE HB3 . . 5.500 5.352 4.994 5.505 0.005 19 0 "[ . 1 . 2]" 2
405 1 44 CYS HA 1 62 PHE HB2 . . 3.670 2.060 1.993 2.319 . 0 0 "[ . 1 . 2]" 2
406 1 44 CYS HB3 1 62 PHE HB2 . . 3.500 2.730 2.318 3.053 . 0 0 "[ . 1 . 2]" 2
407 1 43 ARG HB2 1 62 PHE HB2 . . 4.730 4.474 4.102 4.730 0.000 12 0 "[ . 1 . 2]" 2
408 1 44 CYS H 1 62 PHE HB2 . . 4.590 4.271 3.979 4.587 . 0 0 "[ . 1 . 2]" 2
409 1 27 ARG HB3 1 32 ASN HB2 . . 5.500 4.878 3.666 5.227 . 0 0 "[ . 1 . 2]" 2
410 1 27 ARG HB3 1 32 ASN HB3 . . 5.500 4.321 3.544 4.860 . 0 0 "[ . 1 . 2]" 2
411 1 31 CYS HA 1 52 HIS HE1 . . 4.510 4.176 4.014 4.294 . 0 0 "[ . 1 . 2]" 2
412 1 31 CYS HB2 1 52 HIS HE1 . . 3.430 3.426 3.322 3.470 0.040 2 0 "[ . 1 . 2]" 2
413 1 31 CYS HB3 1 52 HIS HE1 . . 2.910 2.001 1.972 2.112 . 0 0 "[ . 1 . 2]" 2
414 1 51 THR MG 1 52 HIS HE1 . . 4.040 3.775 3.493 4.041 0.001 20 0 "[ . 1 . 2]" 2
415 1 59 GLU H 1 59 GLU QG . . 3.760 2.410 1.886 3.262 . 0 0 "[ . 1 . 2]" 2
416 1 59 GLU QG 1 60 CYS H . . 4.840 4.475 4.084 4.841 0.001 6 0 "[ . 1 . 2]" 2
417 1 58 HIS HA 1 59 GLU QG . . 4.520 4.090 3.613 4.519 . 0 0 "[ . 1 . 2]" 2
418 1 59 GLU HA 1 59 GLU QG . . 3.250 2.584 2.245 3.339 0.089 14 0 "[ . 1 . 2]" 2
419 1 43 ARG H 1 58 HIS HE1 . . 5.020 4.885 4.750 4.998 . 0 0 "[ . 1 . 2]" 2
420 1 58 HIS H 1 58 HIS HE1 . . 5.020 4.772 4.538 4.896 . 0 0 "[ . 1 . 2]" 2
421 1 42 CYS HA 1 58 HIS HE1 . . 5.070 4.606 4.366 4.891 . 0 0 "[ . 1 . 2]" 2
422 1 54 TYR HA 1 58 HIS HE1 . . 5.320 4.411 4.203 4.675 . 0 0 "[ . 1 . 2]" 2
423 1 55 PRO HD3 1 58 HIS HE1 . . 4.370 4.053 3.920 4.230 . 0 0 "[ . 1 . 2]" 2
424 1 53 ARG HA 1 58 HIS HE1 . . 4.950 4.698 4.374 4.952 0.002 3 0 "[ . 1 . 2]" 2
425 1 42 CYS HB3 1 58 HIS HE1 . . 4.040 3.925 3.568 4.068 0.028 13 0 "[ . 1 . 2]" 2
426 1 42 CYS HB2 1 58 HIS HE1 . . 3.390 3.019 2.605 3.327 . 0 0 "[ . 1 . 2]" 2
427 1 55 PRO HA 1 58 HIS HE1 . . 3.400 2.559 2.479 2.648 . 0 0 "[ . 1 . 2]" 2
428 1 58 HIS HE1 1 60 CYS QB . . 4.660 4.327 3.918 4.585 . 0 0 "[ . 1 . 2]" 2
429 1 55 PRO HB2 1 58 HIS HE1 . . 5.400 4.893 4.797 4.970 . 0 0 "[ . 1 . 2]" 2
430 1 54 TYR HB3 1 56 GLU H . . 4.500 3.262 3.090 3.488 . 0 0 "[ . 1 . 2]" 2
431 1 54 TYR HB3 1 56 GLU QG . . 4.380 2.682 2.472 3.318 . 0 0 "[ . 1 . 2]" 2
432 1 54 TYR HB3 1 55 PRO QG . . 4.280 3.821 3.701 3.973 . 0 0 "[ . 1 . 2]" 2
433 1 54 TYR HB2 1 56 GLU H . . 4.670 3.576 3.271 3.920 . 0 0 "[ . 1 . 2]" 2
434 1 54 TYR HB2 1 57 SER QB . . 3.730 2.488 2.121 2.676 . 0 0 "[ . 1 . 2]" 2
435 1 54 TYR HB2 1 56 GLU QG . . 4.210 2.665 2.288 2.886 . 0 0 "[ . 1 . 2]" 2
436 1 54 TYR HB2 1 56 GLU HB2 . . 5.500 5.427 5.190 5.522 0.022 7 0 "[ . 1 . 2]" 2
437 1 54 TYR HB2 1 56 GLU HB3 . . 5.500 5.201 4.905 5.495 . 0 0 "[ . 1 . 2]" 2
438 1 56 GLU H 1 56 GLU QG . . 3.790 2.125 1.908 2.686 . 0 0 "[ . 1 . 2]" 2
439 1 56 GLU QG 1 57 SER HA . . 4.790 3.600 3.256 4.418 . 0 0 "[ . 1 . 2]" 2
440 1 56 GLU HA 1 56 GLU QG . . 3.460 3.362 3.334 3.444 . 0 0 "[ . 1 . 2]" 2
441 1 56 GLU QG 1 58 HIS H . . 4.790 4.395 4.247 4.791 0.001 15 0 "[ . 1 . 2]" 2
442 1 47 THR HB 1 48 PHE H . . 4.250 3.954 3.754 4.111 . 0 0 "[ . 1 . 2]" 2
443 1 46 SER HA 1 47 THR HB . . 5.140 4.865 4.762 4.966 . 0 0 "[ . 1 . 2]" 2
444 1 15 ALA MB 1 47 THR HB . . 3.970 3.461 2.683 3.970 0.000 6 0 "[ . 1 . 2]" 2
445 1 28 CYS HA 1 47 THR HB . . 4.950 4.058 3.901 4.223 . 0 0 "[ . 1 . 2]" 2
446 1 26 THR HB 1 27 ARG H . . 4.580 4.357 4.208 4.469 . 0 0 "[ . 1 . 2]" 2
447 1 26 THR HB 1 27 ARG HG3 . . 5.480 5.124 4.807 5.408 . 0 0 "[ . 1 . 2]" 2
448 1 25 ALA MB 1 26 THR HB . . 4.730 4.335 3.230 4.640 . 0 0 "[ . 1 . 2]" 2
449 1 26 THR HB 1 47 THR MG . . 5.100 5.006 4.776 5.118 0.018 15 0 "[ . 1 . 2]" 2
450 1 26 THR HB 1 36 GLY HA2 . . 4.000 2.014 1.990 2.172 . 0 0 "[ . 1 . 2]" 2
451 1 26 THR HB 1 35 VAL MG2 . . 3.770 3.630 3.555 3.761 . 0 0 "[ . 1 . 2]" 2
452 1 51 THR HB 1 52 HIS HE1 . . 4.560 4.254 4.010 4.433 . 0 0 "[ . 1 . 2]" 2
453 1 51 THR HB 1 53 ARG H . . 4.970 4.803 4.717 4.960 . 0 0 "[ . 1 . 2]" 2
454 1 51 THR HB 1 52 HIS HA . . 4.830 4.449 4.323 4.713 . 0 0 "[ . 1 . 2]" 2
455 1 61 GLN H 1 61 GLN QG . . 3.670 2.334 1.888 3.079 . 0 0 "[ . 1 . 2]" 2
456 1 61 GLN HA 1 61 GLN QG . . 3.290 2.702 2.365 3.333 0.043 2 0 "[ . 1 . 2]" 2
457 1 60 CYS HA 1 61 GLN QG . . 4.530 3.989 3.586 4.532 0.002 18 0 "[ . 1 . 2]" 2
458 1 61 GLN QG 1 62 PHE H . . 4.800 3.962 2.051 4.344 . 0 0 "[ . 1 . 2]" 2
459 1 31 CYS HB2 1 33 LYS HB2 . . 4.930 3.556 3.328 3.702 . 0 0 "[ . 1 . 2]" 2
460 1 33 LYS HB2 1 33 LYS QD . . 3.610 2.632 2.398 3.058 . 0 0 "[ . 1 . 2]" 2
461 1 33 LYS HB3 1 34 LYS H . . 4.850 4.098 3.962 4.218 . 0 0 "[ . 1 . 2]" 2
462 1 28 CYS H 1 33 LYS HB3 . . 4.970 3.530 3.408 3.601 . 0 0 "[ . 1 . 2]" 2
463 1 33 LYS HB3 1 33 LYS QE . . 4.580 3.628 2.403 4.093 . 0 0 "[ . 1 . 2]" 2
464 1 27 ARG HB2 1 32 ASN HA . . 3.790 2.998 2.809 3.091 . 0 0 "[ . 1 . 2]" 2
465 1 27 ARG HB2 1 34 LYS HA . . 4.490 4.460 4.370 4.501 0.011 7 0 "[ . 1 . 2]" 2
466 1 27 ARG HB3 1 32 ASN H . . 5.290 4.893 4.794 5.016 . 0 0 "[ . 1 . 2]" 2
467 1 27 ARG HB3 1 32 ASN HA . . 3.580 2.934 2.754 3.086 . 0 0 "[ . 1 . 2]" 2
468 1 27 ARG HB3 1 33 LYS HA . . 4.610 3.483 3.350 3.592 . 0 0 "[ . 1 . 2]" 2
469 1 27 ARG HB3 1 34 LYS HA . . 4.830 3.312 3.170 3.442 . 0 0 "[ . 1 . 2]" 2
470 1 27 ARG HB3 1 27 ARG HD2 . . 4.160 3.019 2.872 3.178 . 0 0 "[ . 1 . 2]" 2
471 1 27 ARG HB3 1 27 ARG HD3 . . 4.160 2.503 2.283 2.856 . 0 0 "[ . 1 . 2]" 2
472 1 44 CYS HB2 1 61 GLN QG . . 5.290 4.878 3.145 5.294 0.004 5 0 "[ . 1 . 2]" 2
473 1 31 CYS HB2 1 33 LYS H . . 4.850 4.304 4.024 4.537 . 0 0 "[ . 1 . 2]" 2
474 1 31 CYS HA 1 31 CYS HB2 . . 2.950 2.401 2.377 2.427 . 0 0 "[ . 1 . 2]" 2
475 1 31 CYS HB2 1 32 ASN H . . 4.440 4.317 4.217 4.420 . 0 0 "[ . 1 . 2]" 2
476 1 31 CYS HB3 1 32 ASN H . . 4.730 4.249 4.195 4.326 . 0 0 "[ . 1 . 2]" 2
477 1 40 PHE HA 1 41 LYS HB3 . . 5.290 4.829 4.488 4.986 . 0 0 "[ . 1 . 2]" 2
478 1 41 LYS HB3 1 42 CYS HA . . 5.500 4.422 4.270 4.757 . 0 0 "[ . 1 . 2]" 2
479 1 40 PHE HA 1 41 LYS HB2 . . 4.670 4.405 4.276 4.711 0.041 7 0 "[ . 1 . 2]" 2
480 1 41 LYS HB2 1 41 LYS QE . . 4.480 3.466 2.404 4.049 . 0 0 "[ . 1 . 2]" 2
481 1 41 LYS HB2 1 47 THR MG . . 4.750 4.246 3.831 4.745 . 0 0 "[ . 1 . 2]" 2
482 1 67 VAL H 1 67 VAL HB . . 4.150 3.071 2.411 3.700 . 0 0 "[ . 1 . 2]" 2
483 1 35 VAL H 1 35 VAL HB . . 4.180 3.705 3.667 3.746 . 0 0 "[ . 1 . 2]" 2
484 1 35 VAL HB 1 49 CYS HA . . 4.160 3.565 3.400 3.725 . 0 0 "[ . 1 . 2]" 2
485 1 35 VAL HB 1 39 GLY HA2 . . 3.450 2.032 1.974 2.196 . 0 0 "[ . 1 . 2]" 2
486 1 35 VAL HB 1 39 GLY HA3 . . 3.560 2.161 2.020 2.361 . 0 0 "[ . 1 . 2]" 2
487 1 35 VAL HB 1 47 THR HB . . 5.500 5.262 5.008 5.411 . 0 0 "[ . 1 . 2]" 2
488 1 35 VAL HB 1 49 CYS HB2 . . 5.500 5.167 4.918 5.331 . 0 0 "[ . 1 . 2]" 2
489 1 55 PRO HA 1 58 HIS HD2 . . 4.550 4.332 3.679 4.560 0.010 9 0 "[ . 1 . 2]" 2
490 1 55 PRO HA 1 60 CYS QB . . 3.250 3.034 2.702 3.241 . 0 0 "[ . 1 . 2]" 2
491 1 55 PRO HA 1 58 HIS H . . 4.570 3.332 3.113 3.521 . 0 0 "[ . 1 . 2]" 2
492 1 42 CYS HB3 1 45 GLY H . . 4.430 3.357 3.021 4.035 . 0 0 "[ . 1 . 2]" 2
493 1 42 CYS HB3 1 48 PHE HD1 . . 4.450 3.662 3.474 3.852 . 0 0 "[ . 1 . 2]" 2
494 1 42 CYS HB3 1 48 PHE HZ . . 4.200 3.965 3.511 4.203 0.003 15 0 "[ . 1 . 2]" 2
495 1 41 LYS HA 1 42 CYS HB3 . . 4.720 4.609 4.499 4.720 . 0 0 "[ . 1 . 2]" 2
496 1 28 CYS HB3 1 31 CYS HA . . 4.710 4.453 4.297 4.589 . 0 0 "[ . 1 . 2]" 2
497 1 28 CYS HB3 1 49 CYS H . . 4.550 4.453 4.397 4.502 . 0 0 "[ . 1 . 2]" 2
498 1 28 CYS HB3 1 33 LYS HB2 . . 4.600 4.329 4.207 4.427 . 0 0 "[ . 1 . 2]" 2
499 1 27 ARG HB2 1 28 CYS HB3 . . 5.200 5.144 5.054 5.213 0.013 8 0 "[ . 1 . 2]" 2
500 1 28 CYS HB3 1 35 VAL MG1 . . 4.120 3.946 3.765 4.087 . 0 0 "[ . 1 . 2]" 2
501 1 28 CYS HB3 1 35 VAL MG2 . . 5.420 5.204 4.710 5.417 . 0 0 "[ . 1 . 2]" 2
502 1 28 CYS HB3 1 48 PHE HA . . 4.370 4.195 4.121 4.258 . 0 0 "[ . 1 . 2]" 2
503 1 28 CYS HB3 1 33 LYS HB3 . . 4.080 3.590 3.544 3.640 . 0 0 "[ . 1 . 2]" 2
504 1 27 ARG HB3 1 28 CYS HB3 . . 4.580 4.453 4.365 4.505 . 0 0 "[ . 1 . 2]" 2
505 1 42 CYS H 1 42 CYS HB2 . . 3.370 3.105 2.955 3.276 . 0 0 "[ . 1 . 2]" 2
506 1 42 CYS HB2 1 48 PHE HZ . . 5.060 4.510 4.130 4.893 . 0 0 "[ . 1 . 2]" 2
507 1 41 LYS HA 1 42 CYS HB2 . . 4.620 4.293 4.213 4.435 . 0 0 "[ . 1 . 2]" 2
508 1 42 CYS HB2 1 45 GLY H . . 5.500 4.887 4.583 5.501 0.001 19 0 "[ . 1 . 2]" 2
509 1 42 CYS HB2 1 48 PHE HE1 . . 4.190 2.744 2.350 3.196 . 0 0 "[ . 1 . 2]" 2
510 1 28 CYS HB2 1 32 ASN H . . 3.950 3.735 3.623 3.932 . 0 0 "[ . 1 . 2]" 2
511 1 28 CYS HB2 1 33 LYS H . . 3.590 2.258 2.163 2.381 . 0 0 "[ . 1 . 2]" 2
512 1 28 CYS HB2 1 31 CYS H . . 4.070 3.778 3.676 3.859 . 0 0 "[ . 1 . 2]" 2
513 1 27 ARG HA 1 28 CYS HB2 . . 4.920 4.544 4.528 4.575 . 0 0 "[ . 1 . 2]" 2
514 1 28 CYS HB2 1 49 CYS HA . . 5.280 4.558 4.444 4.661 . 0 0 "[ . 1 . 2]" 2
515 1 28 CYS HB2 1 32 ASN HA . . 4.640 4.091 3.977 4.196 . 0 0 "[ . 1 . 2]" 2
516 1 28 CYS HB2 1 33 LYS HB2 . . 4.590 4.121 3.994 4.206 . 0 0 "[ . 1 . 2]" 2
517 1 28 CYS HB2 1 35 VAL HB . . 5.500 5.471 5.274 5.518 0.018 8 0 "[ . 1 . 2]" 2
518 1 28 CYS HB2 1 33 LYS HB3 . . 4.200 2.748 2.662 2.829 . 0 0 "[ . 1 . 2]" 2
519 1 28 CYS HB2 1 33 LYS HG2 . . 5.170 4.876 4.693 5.045 . 0 0 "[ . 1 . 2]" 2
520 1 28 CYS HB2 1 35 VAL MG1 . . 3.520 2.609 2.464 2.684 . 0 0 "[ . 1 . 2]" 2
521 1 27 ARG HB3 1 28 CYS HB2 . . 4.810 4.539 4.471 4.603 . 0 0 "[ . 1 . 2]" 2
522 1 55 PRO HB2 1 56 GLU HA . . 4.710 4.006 3.919 4.099 . 0 0 "[ . 1 . 2]" 2
523 1 55 PRO HB2 1 60 CYS QB . . 3.090 2.979 2.862 3.078 . 0 0 "[ . 1 . 2]" 2
524 1 55 PRO HB2 1 64 PHE QE . . 3.860 3.135 2.609 3.576 . 0 0 "[ . 1 . 2]" 2
525 1 34 LYS HB2 1 35 VAL H . . 4.740 4.505 4.382 4.588 . 0 0 "[ . 1 . 2]" 2
526 1 27 ARG HA 1 34 LYS HB2 . . 5.500 5.036 4.805 5.296 . 0 0 "[ . 1 . 2]" 2
527 1 55 PRO HB3 1 56 GLU H . . 4.320 4.023 3.895 4.142 . 0 0 "[ . 1 . 2]" 2
528 1 55 PRO HB3 1 58 HIS HE1 . . 4.650 3.617 3.456 3.786 . 0 0 "[ . 1 . 2]" 2
529 1 55 PRO HB3 1 64 PHE QE . . 4.940 3.436 3.208 3.628 . 0 0 "[ . 1 . 2]" 2
530 1 54 TYR HA 1 55 PRO HB3 . . 4.890 4.837 4.829 4.843 . 0 0 "[ . 1 . 2]" 2
531 1 55 PRO HB3 1 60 CYS QB . . 3.480 3.017 2.747 3.263 . 0 0 "[ . 1 . 2]" 2
532 1 34 LYS HB3 1 35 VAL H . . 4.740 4.360 4.137 4.505 . 0 0 "[ . 1 . 2]" 2
533 1 27 ARG HA 1 34 LYS HB3 . . 5.500 5.406 5.152 5.517 0.017 20 0 "[ . 1 . 2]" 2
534 1 34 LYS HB3 1 34 LYS QE . . 4.350 4.013 3.282 4.354 0.004 8 0 "[ . 1 . 2]" 2
535 1 48 PHE HA 1 52 HIS HB3 . . 5.500 5.321 5.209 5.526 0.026 5 0 "[ . 1 . 2]" 2
536 1 49 CYS H 1 52 HIS HB3 . . 4.660 4.475 4.379 4.672 0.012 5 0 "[ . 1 . 2]" 2
537 1 52 HIS H 1 52 HIS HB3 . . 3.820 3.709 3.683 3.745 . 0 0 "[ . 1 . 2]" 2
538 1 52 HIS HB3 1 53 ARG H . . 4.580 4.413 4.162 4.485 . 0 0 "[ . 1 . 2]" 2
539 1 52 HIS HB3 1 57 SER QB . . 4.580 3.821 3.252 4.435 . 0 0 "[ . 1 . 2]" 2
540 1 52 HIS HB3 1 58 HIS HB2 . . 4.220 3.613 3.067 4.066 . 0 0 "[ . 1 . 2]" 2
541 1 44 CYS HB2 1 61 GLN H . . 4.750 4.326 4.000 4.750 0.000 9 0 "[ . 1 . 2]" 2
542 1 44 CYS HB2 1 62 PHE H . . 4.040 3.495 3.175 3.903 . 0 0 "[ . 1 . 2]" 2
543 1 44 CYS H 1 44 CYS HB2 . . 3.630 3.563 3.541 3.591 . 0 0 "[ . 1 . 2]" 2
544 1 44 CYS HA 1 44 CYS HB2 . . 2.960 2.574 2.532 2.606 . 0 0 "[ . 1 . 2]" 2
545 1 44 CYS HB2 1 62 PHE HB3 . . 4.150 4.020 3.816 4.165 0.015 9 0 "[ . 1 . 2]" 2
546 1 44 CYS HB3 1 46 SER H . . 5.050 4.569 4.355 4.941 . 0 0 "[ . 1 . 2]" 2
547 1 48 PHE HA 1 52 HIS HB2 . . 4.780 4.210 4.127 4.408 . 0 0 "[ . 1 . 2]" 2
548 1 48 PHE HB2 1 52 HIS HB2 . . 4.310 4.106 3.891 4.281 . 0 0 "[ . 1 . 2]" 2
549 1 49 CYS H 1 52 HIS HB2 . . 4.060 2.869 2.790 3.031 . 0 0 "[ . 1 . 2]" 2
550 1 52 HIS HB2 1 53 ARG H . . 4.210 3.991 3.397 4.168 . 0 0 "[ . 1 . 2]" 2
551 1 33 LYS HB2 1 49 CYS HB3 . . 4.660 4.617 4.487 4.676 0.016 12 0 "[ . 1 . 2]" 2
552 1 51 THR HA 1 53 ARG H . . 4.460 4.040 3.927 4.294 . 0 0 "[ . 1 . 2]" 2
553 1 51 THR HA 1 54 TYR QE . . 4.530 3.736 3.207 4.420 . 0 0 "[ . 1 . 2]" 2
554 1 51 THR HA 1 51 THR MG . . 2.930 2.329 2.198 2.455 . 0 0 "[ . 1 . 2]" 2
555 1 49 CYS H 1 49 CYS HB2 . . 3.770 3.682 3.660 3.710 . 0 0 "[ . 1 . 2]" 2
556 1 49 CYS HB2 1 51 THR H . . 4.360 3.100 2.976 3.465 . 0 0 "[ . 1 . 2]" 2
557 1 49 CYS HB2 1 50 GLY HA3 . . 4.720 4.332 4.241 4.414 . 0 0 "[ . 1 . 2]" 2
558 1 33 LYS HB2 1 49 CYS HB2 . . 5.500 5.491 5.391 5.523 0.023 5 0 "[ . 1 . 2]" 2
559 1 33 LYS QD 1 49 CYS HB2 . . 3.920 2.920 2.688 3.234 . 0 0 "[ . 1 . 2]" 2
560 1 33 LYS HB3 1 49 CYS HB2 . . 4.510 4.100 4.024 4.169 . 0 0 "[ . 1 . 2]" 2
561 1 33 LYS H 1 49 CYS HB3 . . 4.950 4.392 4.321 4.565 . 0 0 "[ . 1 . 2]" 2
562 1 33 LYS HG2 1 49 CYS HB3 . . 4.820 4.453 4.126 4.784 . 0 0 "[ . 1 . 2]" 2
563 1 28 CYS H 1 49 CYS HB3 . . 4.530 4.422 4.205 4.538 0.008 1 0 "[ . 1 . 2]" 2
564 1 48 PHE HA 1 49 CYS HB3 . . 4.650 4.407 4.356 4.459 . 0 0 "[ . 1 . 2]" 2
565 1 33 LYS QE 1 49 CYS HB3 . . 4.840 4.374 2.013 4.849 0.009 4 0 "[ . 1 . 2]" 2
566 1 33 LYS QD 1 49 CYS HB3 . . 4.030 2.972 2.726 3.266 . 0 0 "[ . 1 . 2]" 2
567 1 33 LYS HB3 1 49 CYS HB3 . . 4.180 2.992 2.885 3.048 . 0 0 "[ . 1 . 2]" 2
568 1 28 CYS HA 1 49 CYS HB3 . . 4.870 4.479 4.343 4.617 . 0 0 "[ . 1 . 2]" 2
569 1 46 SER HB2 1 48 PHE HZ . . 3.520 2.805 2.610 2.976 . 0 0 "[ . 1 . 2]" 2
570 1 29 LEU HB3 1 46 SER HB2 . . 4.570 4.339 4.118 4.461 . 0 0 "[ . 1 . 2]" 2
571 1 29 LEU HB2 1 46 SER HB2 . . 4.240 3.939 3.724 4.161 . 0 0 "[ . 1 . 2]" 2
572 1 29 LEU MD2 1 46 SER HB2 . . 3.600 2.368 2.168 2.651 . 0 0 "[ . 1 . 2]" 2
573 1 42 CYS HB3 1 46 SER HB2 . . 4.540 3.677 3.217 3.988 . 0 0 "[ . 1 . 2]" 2
574 1 42 CYS HB3 1 46 SER HB3 . . 5.500 4.863 4.512 5.159 . 0 0 "[ . 1 . 2]" 2
575 1 46 SER HB3 1 47 THR HB . . 5.500 4.976 4.873 5.049 . 0 0 "[ . 1 . 2]" 2
576 1 29 LEU HB3 1 46 SER HB3 . . 4.060 3.411 3.307 3.516 . 0 0 "[ . 1 . 2]" 2
577 1 29 LEU MD2 1 46 SER HB3 . . 3.370 2.237 2.013 2.486 . 0 0 "[ . 1 . 2]" 2
578 1 29 LEU HB2 1 46 SER HB3 . . 3.830 2.467 2.350 2.607 . 0 0 "[ . 1 . 2]" 2
579 1 20 PRO HB2 1 21 PRO HD2 . . 4.740 2.758 1.993 3.753 . 0 0 "[ . 1 . 2]" 2
580 1 20 PRO HB2 1 21 PRO HD3 . . 4.740 4.027 3.443 4.740 0.000 18 0 "[ . 1 . 2]" 2
581 1 20 PRO HB3 1 21 PRO HD2 . . 4.740 3.137 2.685 3.775 . 0 0 "[ . 1 . 2]" 2
582 1 54 TYR QD 1 55 PRO HD2 . . 3.840 3.538 3.213 3.681 . 0 0 "[ . 1 . 2]" 2
583 1 53 ARG HD3 1 54 TYR QD . . 4.550 4.360 3.963 4.548 . 0 0 "[ . 1 . 2]" 2
584 1 53 ARG HG3 1 54 TYR QD . . 4.240 3.260 2.830 3.555 . 0 0 "[ . 1 . 2]" 2
585 1 54 TYR HA 1 54 TYR QD . . 3.260 3.057 2.594 3.173 . 0 0 "[ . 1 . 2]" 2
586 1 53 ARG HD2 1 54 TYR QD . . 5.200 5.159 4.925 5.237 0.037 6 0 "[ . 1 . 2]" 2
587 1 53 ARG HG2 1 54 TYR QD . . 4.150 2.877 2.592 3.788 . 0 0 "[ . 1 . 2]" 2
588 1 60 CYS QB 1 61 GLN H . . 4.270 3.842 3.619 4.007 . 0 0 "[ . 1 . 2]" 2
589 1 60 CYS QB 1 62 PHE H . . 4.730 4.286 4.018 4.649 . 0 0 "[ . 1 . 2]" 2
590 1 60 CYS H 1 60 CYS QB . . 3.040 2.195 2.159 2.249 . 0 0 "[ . 1 . 2]" 2
591 1 58 HIS H 1 60 CYS QB . . 5.460 5.132 4.867 5.347 . 0 0 "[ . 1 . 2]" 2
592 1 58 HIS HD2 1 60 CYS QB . . 4.280 3.878 3.082 4.229 . 0 0 "[ . 1 . 2]" 2
593 1 59 GLU HA 1 60 CYS QB . . 4.260 4.159 4.124 4.218 . 0 0 "[ . 1 . 2]" 2
594 1 44 CYS HB3 1 60 CYS QB . . 4.930 4.718 4.527 4.887 . 0 0 "[ . 1 . 2]" 2
595 1 55 PRO QG 1 60 CYS QB . . 4.500 4.447 4.286 4.550 0.050 19 0 "[ . 1 . 2]" 2
596 1 44 CYS H 1 60 CYS QB . . 5.430 5.314 5.156 5.459 0.029 6 0 "[ . 1 . 2]" 2
597 1 64 PHE HA 1 64 PHE QE . . 4.360 4.314 4.204 4.400 0.040 6 0 "[ . 1 . 2]" 2
598 1 55 PRO QG 1 64 PHE QD . . 5.500 5.212 4.906 5.412 . 0 0 "[ . 1 . 2]" 2
599 1 64 PHE HA 1 64 PHE QD . . 3.730 2.416 2.008 2.733 . 0 0 "[ . 1 . 2]" 2
600 1 55 PRO HB2 1 64 PHE QD . . 5.280 5.052 4.658 5.277 . 0 0 "[ . 1 . 2]" 2
601 1 51 THR MG 1 57 SER QB . . 4.640 4.457 4.202 4.644 0.004 11 0 "[ . 1 . 2]" 2
602 1 52 HIS HA 1 57 SER QB . . 3.130 2.489 2.058 2.923 . 0 0 "[ . 1 . 2]" 2
603 1 54 TYR HB3 1 57 SER QB . . 4.230 4.081 3.696 4.232 0.002 10 0 "[ . 1 . 2]" 2
604 1 56 GLU QG 1 57 SER QB . . 4.570 3.311 2.897 3.773 . 0 0 "[ . 1 . 2]" 2
605 1 40 PHE QE 1 53 ARG HB2 . . 5.000 4.715 4.341 5.014 0.014 6 0 "[ . 1 . 2]" 2
606 1 48 PHE HB2 1 53 ARG HB2 . . 4.360 4.030 3.907 4.155 . 0 0 "[ . 1 . 2]" 2
607 1 55 PRO HA 1 64 PHE QE . . 4.930 4.829 4.649 4.960 0.030 9 0 "[ . 1 . 2]" 2
608 1 55 PRO QG 1 64 PHE QE . . 4.690 3.510 2.930 3.924 . 0 0 "[ . 1 . 2]" 2
609 1 43 ARG HB2 1 64 PHE QE . . 5.200 3.612 2.539 4.132 . 0 0 "[ . 1 . 2]" 2
610 1 43 ARG HG3 1 64 PHE QE . . 5.430 3.131 2.385 4.051 . 0 0 "[ . 1 . 2]" 2
611 1 62 PHE QD 1 64 PHE QD . . 4.750 3.796 2.658 4.603 . 0 0 "[ . 1 . 2]" 2
612 1 43 ARG HB2 1 64 PHE QD . . 5.070 4.714 3.608 5.052 . 0 0 "[ . 1 . 2]" 2
613 1 40 PHE QD 1 41 LYS H . . 4.860 4.799 4.650 4.884 0.024 15 0 "[ . 1 . 2]" 2
614 1 40 PHE QD 1 49 CYS HA . . 4.370 2.542 2.303 2.765 . 0 0 "[ . 1 . 2]" 2
615 1 40 PHE HA 1 40 PHE QD . . 3.680 3.187 3.055 3.256 . 0 0 "[ . 1 . 2]" 2
616 1 39 GLY HA2 1 40 PHE QD . . 4.030 2.817 2.496 3.150 . 0 0 "[ . 1 . 2]" 2
617 1 40 PHE QD 1 53 ARG HA . . 4.690 4.174 3.868 4.579 . 0 0 "[ . 1 . 2]" 2
618 1 39 GLY HA3 1 40 PHE QD . . 4.570 4.067 3.650 4.530 . 0 0 "[ . 1 . 2]" 2
619 1 40 PHE QD 1 48 PHE HB2 . . 4.830 4.257 4.084 4.427 . 0 0 "[ . 1 . 2]" 2
620 1 40 PHE QD 1 53 ARG HD3 . . 4.810 4.371 4.114 4.560 . 0 0 "[ . 1 . 2]" 2
621 1 40 PHE QD 1 53 ARG HB3 . . 4.020 3.102 2.759 3.372 . 0 0 "[ . 1 . 2]" 2
622 1 40 PHE QD 1 53 ARG HB2 . . 4.510 3.310 3.054 3.565 . 0 0 "[ . 1 . 2]" 2
623 1 30 SER HB2 1 52 HIS HB3 . . 4.040 3.015 2.776 3.195 . 0 0 "[ . 1 . 2]" 2
624 1 30 SER HB2 1 52 HIS HB2 . . 4.540 3.233 2.946 3.480 . 0 0 "[ . 1 . 2]" 2
625 1 30 SER HB2 1 31 CYS HB3 . . 4.740 4.189 4.032 4.321 . 0 0 "[ . 1 . 2]" 2
626 1 30 SER HB2 1 32 ASN H . . 4.860 4.574 4.455 4.716 . 0 0 "[ . 1 . 2]" 2
627 1 30 SER HB2 1 31 CYS H . . 3.410 2.720 2.583 2.873 . 0 0 "[ . 1 . 2]" 2
628 1 30 SER HB2 1 52 HIS HD2 . . 5.230 4.548 4.160 5.002 . 0 0 "[ . 1 . 2]" 2
629 1 30 SER H 1 30 SER HB3 . . 3.650 3.604 3.566 3.655 0.005 16 0 "[ . 1 . 2]" 2
630 1 30 SER HB3 1 31 CYS H . . 3.430 3.343 3.235 3.445 0.015 20 0 "[ . 1 . 2]" 2
631 1 30 SER HB3 1 52 HIS HD2 . . 5.020 4.551 4.046 5.025 0.005 9 0 "[ . 1 . 2]" 2
632 1 30 SER HB3 1 31 CYS HB3 . . 4.680 4.049 3.949 4.219 . 0 0 "[ . 1 . 2]" 2
633 1 30 SER HB3 1 32 ASN H . . 5.310 5.109 5.040 5.168 . 0 0 "[ . 1 . 2]" 2
634 1 52 HIS HB3 1 58 HIS HB3 . . 4.220 2.420 2.045 2.748 . 0 0 "[ . 1 . 2]" 2
635 1 30 SER HB3 1 52 HIS HB2 . . 4.920 4.629 4.416 4.877 . 0 0 "[ . 1 . 2]" 2
636 1 61 GLN H 1 61 GLN HB2 . . 4.200 2.531 2.299 3.584 . 0 0 "[ . 1 . 2]" 2
637 1 61 GLN HB3 1 62 PHE H . . 4.790 3.565 3.271 3.967 . 0 0 "[ . 1 . 2]" 2
638 1 33 LYS QD 1 33 LYS HG3 . . 2.690 2.357 2.155 2.462 . 0 0 "[ . 1 . 2]" 2
639 1 33 LYS H 1 33 LYS QD . . 4.590 4.428 4.328 4.546 . 0 0 "[ . 1 . 2]" 2
640 1 33 LYS QD 1 49 CYS HA . . 5.130 4.761 4.493 5.138 0.008 2 0 "[ . 1 . 2]" 2
641 1 33 LYS HA 1 33 LYS QD . . 4.320 4.144 4.054 4.259 . 0 0 "[ . 1 . 2]" 2
642 1 50 GLY HA3 1 53 ARG HB3 . . 4.610 4.266 4.007 4.652 0.042 5 0 "[ . 1 . 2]" 2
643 1 43 ARG HB2 1 44 CYS HA . . 4.640 4.115 4.015 4.199 . 0 0 "[ . 1 . 2]" 2
644 1 44 CYS HA 1 62 PHE QD . . 3.840 3.678 3.519 3.853 0.013 9 0 "[ . 1 . 2]" 2
645 1 44 CYS HB3 1 62 PHE QD . . 4.410 4.272 4.094 4.405 . 0 0 "[ . 1 . 2]" 2
646 1 43 ARG HB2 1 62 PHE QD . . 4.750 2.253 2.006 2.763 . 0 0 "[ . 1 . 2]" 2
647 1 43 ARG HB3 1 62 PHE QD . . 4.760 2.879 2.301 3.563 . 0 0 "[ . 1 . 2]" 2
648 1 58 HIS H 1 58 HIS HB3 . . 4.200 2.877 2.789 2.991 . 0 0 "[ . 1 . 2]" 2
649 1 58 HIS HB2 1 59 GLU H . . 4.910 3.282 2.169 3.657 . 0 0 "[ . 1 . 2]" 2
650 1 34 LYS H 1 34 LYS QD . . 4.700 4.165 3.661 4.534 . 0 0 "[ . 1 . 2]" 2
651 1 41 LYS H 1 41 LYS QD . . 4.520 4.116 3.691 4.445 . 0 0 "[ . 1 . 2]" 2
652 1 41 LYS QD 1 45 GLY HA3 . . 5.500 4.977 3.407 5.489 . 0 0 "[ . 1 . 2]" 2
653 1 41 LYS QD 1 45 GLY HA2 . . 4.240 3.635 1.967 4.236 . 0 0 "[ . 1 . 2]" 2
654 1 41 LYS QD 1 47 THR MG . . 5.190 4.522 3.285 5.220 0.030 5 0 "[ . 1 . 2]" 2
655 1 43 ARG HB3 1 62 PHE QE . . 4.820 2.837 2.331 3.499 . 0 0 "[ . 1 . 2]" 2
656 1 40 PHE HA 1 40 PHE QE . . 4.970 4.839 4.760 4.900 . 0 0 "[ . 1 . 2]" 2
657 1 26 THR HA 1 27 ARG HA . . 4.750 4.400 4.381 4.442 . 0 0 "[ . 1 . 2]" 2
658 1 60 CYS HA 1 62 PHE H . . 4.610 3.910 3.667 4.083 . 0 0 "[ . 1 . 2]" 2
659 1 55 PRO HA 1 60 CYS HA . . 4.700 4.699 4.648 4.743 0.043 6 0 "[ . 1 . 2]" 2
660 1 60 CYS HA 1 61 GLN HA . . 4.620 4.421 4.360 4.541 . 0 0 "[ . 1 . 2]" 2
661 1 22 LYS HA 1 22 LYS QD . . 4.550 3.211 1.995 4.405 . 0 0 "[ . 1 . 2]" 2
662 1 65 LYS HA 1 65 LYS QD . . 4.840 3.235 1.995 4.084 . 0 0 "[ . 1 . 2]" 2
663 1 26 THR HA 1 27 ARG HG3 . . 4.740 3.724 3.479 3.935 . 0 0 "[ . 1 . 2]" 2
664 1 25 ALA MB 1 26 THR HA . . 4.240 4.054 3.737 4.240 0.000 9 0 "[ . 1 . 2]" 2
665 1 26 THR HA 1 26 THR MG . . 2.970 2.462 2.389 2.516 . 0 0 "[ . 1 . 2]" 2
666 1 26 THR HA 1 47 THR MG . . 5.300 5.099 4.883 5.284 . 0 0 "[ . 1 . 2]" 2
667 1 26 THR HA 1 35 VAL MG2 . . 4.110 4.004 3.868 4.115 0.005 4 0 "[ . 1 . 2]" 2
668 1 37 VAL HA 1 37 VAL HB . . 2.910 2.454 2.406 2.500 . 0 0 "[ . 1 . 2]" 2
669 1 37 VAL HA 1 37 VAL MG2 . . 2.800 2.307 2.231 2.434 . 0 0 "[ . 1 . 2]" 2
670 1 55 PRO QG 1 58 HIS HE1 . . 4.970 4.894 4.795 4.981 0.011 9 0 "[ . 1 . 2]" 2
671 1 54 TYR HA 1 55 PRO QG . . 4.170 3.963 3.911 3.993 . 0 0 "[ . 1 . 2]" 2
672 1 54 TYR QD 1 55 PRO QG . . 5.180 5.051 4.746 5.207 0.027 6 0 "[ . 1 . 2]" 2
673 1 43 ARG HB2 1 64 PHE HZ . . 4.760 4.693 4.205 4.768 0.008 6 0 "[ . 1 . 2]" 2
674 1 55 PRO HA 1 64 PHE HZ . . 4.790 4.025 3.697 4.556 . 0 0 "[ . 1 . 2]" 2
675 1 27 ARG HG3 1 28 CYS H . . 4.890 4.896 4.772 4.948 0.058 15 0 "[ . 1 . 2]" 2
676 1 27 ARG HA 1 27 ARG HG3 . . 3.830 3.259 2.957 3.439 . 0 0 "[ . 1 . 2]" 2
677 1 27 ARG HG3 1 32 ASN HA . . 5.500 5.330 5.165 5.449 . 0 0 "[ . 1 . 2]" 2
678 1 27 ARG HG3 1 34 LYS HA . . 3.970 3.600 3.143 3.813 . 0 0 "[ . 1 . 2]" 2
679 1 27 ARG HG2 1 28 CYS H . . 4.460 4.313 4.205 4.376 . 0 0 "[ . 1 . 2]" 2
680 1 27 ARG HA 1 27 ARG HG2 . . 3.670 2.678 2.547 2.829 . 0 0 "[ . 1 . 2]" 2
681 1 27 ARG HG2 1 32 ASN HA . . 5.500 5.312 5.060 5.488 . 0 0 "[ . 1 . 2]" 2
682 1 27 ARG H 1 27 ARG HG2 . . 4.370 3.940 3.724 4.234 . 0 0 "[ . 1 . 2]" 2
683 1 55 PRO QG 1 64 PHE HZ . . 4.400 3.056 2.231 3.552 . 0 0 "[ . 1 . 2]" 2
684 1 40 PHE HZ 1 50 GLY HA2 . . 4.900 3.293 3.127 3.474 . 0 0 "[ . 1 . 2]" 2
685 1 19 ASP HA 1 20 PRO QG . . 4.380 3.951 3.778 4.087 . 0 0 "[ . 1 . 2]" 2
686 1 59 GLU QB 1 60 CYS H . . 4.770 3.732 3.663 3.806 . 0 0 "[ . 1 . 2]" 2
687 1 29 LEU H 1 29 LEU HG . . 4.690 4.437 4.373 4.476 . 0 0 "[ . 1 . 2]" 2
688 1 29 LEU HG 1 46 SER HB3 . . 4.840 4.608 4.450 4.748 . 0 0 "[ . 1 . 2]" 2
689 1 29 LEU HG 1 30 SER H . . 4.400 4.349 4.183 4.419 0.019 5 0 "[ . 1 . 2]" 2
690 1 43 ARG HG2 1 62 PHE QE . . 5.500 5.021 4.580 5.506 0.006 15 0 "[ . 1 . 2]" 2
691 1 43 ARG HG2 1 44 CYS H . . 4.590 4.544 4.375 4.613 0.023 3 0 "[ . 1 . 2]" 2
692 1 42 CYS HA 1 43 ARG HG2 . . 4.730 4.075 3.909 4.192 . 0 0 "[ . 1 . 2]" 2
693 1 43 ARG H 1 43 ARG HG3 . . 3.800 2.135 1.996 2.244 . 0 0 "[ . 1 . 2]" 2
694 1 43 ARG HG3 1 44 CYS H . . 4.570 4.011 3.834 4.183 . 0 0 "[ . 1 . 2]" 2
695 1 43 ARG HG3 1 58 HIS HE1 . . 5.500 5.517 5.468 5.559 0.059 19 0 "[ . 1 . 2]" 2
696 1 42 CYS HA 1 43 ARG HG3 . . 4.610 4.253 4.109 4.365 . 0 0 "[ . 1 . 2]" 2
697 1 43 ARG HA 1 43 ARG HG3 . . 3.930 3.621 3.562 3.706 . 0 0 "[ . 1 . 2]" 2
698 1 48 PHE HZ 1 58 HIS HE1 . . 5.190 4.552 4.374 4.751 . 0 0 "[ . 1 . 2]" 2
699 1 46 SER HB3 1 48 PHE HZ . . 3.930 3.423 3.225 3.617 . 0 0 "[ . 1 . 2]" 2
700 1 35 VAL HA 1 39 GLY HA2 . . 4.540 3.947 3.757 4.148 . 0 0 "[ . 1 . 2]" 2
701 1 35 VAL HA 1 39 GLY HA3 . . 4.670 4.443 4.289 4.678 0.008 9 0 "[ . 1 . 2]" 2
702 1 35 VAL HA 1 49 CYS HB3 . . 5.080 4.727 4.580 4.953 . 0 0 "[ . 1 . 2]" 2
703 1 35 VAL HA 1 35 VAL HB . . 2.930 2.462 2.440 2.532 . 0 0 "[ . 1 . 2]" 2
704 1 34 LYS QD 1 35 VAL HA . . 5.500 5.035 3.711 5.508 0.008 19 0 "[ . 1 . 2]" 2
705 1 62 PHE HA 1 62 PHE QD . . 3.550 2.632 2.421 2.971 . 0 0 "[ . 1 . 2]" 2
706 1 44 CYS HB3 1 62 PHE HA . . 4.560 4.320 4.082 4.540 . 0 0 "[ . 1 . 2]" 2
707 1 44 CYS HA 1 62 PHE HA . . 4.720 4.365 4.254 4.614 . 0 0 "[ . 1 . 2]" 2
708 1 62 PHE HA 1 63 ASP HA . . 5.110 4.351 4.327 4.401 . 0 0 "[ . 1 . 2]" 2
709 1 29 LEU MD2 1 48 PHE HD2 . . 5.430 4.398 4.129 4.603 . 0 0 "[ . 1 . 2]" 2
710 1 29 LEU H 1 29 LEU MD2 . . 4.470 4.313 4.277 4.353 . 0 0 "[ . 1 . 2]" 2
711 1 29 LEU MD2 1 48 PHE HZ . . 3.450 1.980 1.897 2.169 . 0 0 "[ . 1 . 2]" 2
712 1 58 HIS H 1 58 HIS HD2 . . 5.090 4.662 4.075 4.918 . 0 0 "[ . 1 . 2]" 2
713 1 58 HIS HD2 1 59 GLU QB . . 4.880 4.535 3.870 4.887 0.007 16 0 "[ . 1 . 2]" 2
714 1 33 LYS H 1 33 LYS HG3 . . 4.850 4.669 4.584 4.726 . 0 0 "[ . 1 . 2]" 2
715 1 33 LYS HG3 1 35 VAL MG1 . . 5.310 4.889 4.736 5.001 . 0 0 "[ . 1 . 2]" 2
716 1 33 LYS HA 1 33 LYS HG3 . . 3.900 2.805 2.647 2.961 . 0 0 "[ . 1 . 2]" 2
717 1 34 LYS HA 1 34 LYS HG2 . . 4.180 3.469 2.173 3.877 . 0 0 "[ . 1 . 2]" 2
718 1 33 LYS HG2 1 34 LYS H . . 4.930 2.576 2.303 2.978 . 0 0 "[ . 1 . 2]" 2
719 1 34 LYS HA 1 34 LYS HG3 . . 4.180 3.010 2.744 3.483 . 0 0 "[ . 1 . 2]" 2
720 1 29 LEU MD2 1 47 THR H . . 4.560 4.277 4.063 4.521 . 0 0 "[ . 1 . 2]" 2
721 1 29 LEU MD2 1 48 PHE HD1 . . 5.070 4.867 4.690 5.018 . 0 0 "[ . 1 . 2]" 2
722 1 29 LEU MD2 1 46 SER HA . . 4.490 4.240 4.155 4.488 . 0 0 "[ . 1 . 2]" 2
723 1 29 LEU HA 1 29 LEU MD2 . . 3.990 3.925 3.907 3.949 . 0 0 "[ . 1 . 2]" 2
724 1 58 HIS HD2 1 59 GLU HA . . 4.920 4.574 3.514 4.930 0.010 10 0 "[ . 1 . 2]" 2
725 1 58 HIS HD2 1 61 GLN H . . 4.270 4.099 3.900 4.266 . 0 0 "[ . 1 . 2]" 2
726 1 58 HIS HD2 1 60 CYS H . . 4.220 3.734 2.610 4.174 . 0 0 "[ . 1 . 2]" 2
727 1 58 HIS HD2 1 60 CYS HA . . 3.070 2.677 2.522 2.882 . 0 0 "[ . 1 . 2]" 2
728 1 33 LYS H 1 33 LYS HG2 . . 4.510 4.330 4.270 4.400 . 0 0 "[ . 1 . 2]" 2
729 1 44 CYS HA 1 62 PHE QE . . 5.360 5.238 4.938 5.368 0.008 10 0 "[ . 1 . 2]" 2
730 1 62 PHE QD 1 64 PHE HA . . 4.380 3.846 3.519 4.190 . 0 0 "[ . 1 . 2]" 2
731 1 62 PHE QE 1 64 PHE HA . . 4.010 3.287 2.606 3.814 . 0 0 "[ . 1 . 2]" 2
732 1 42 CYS HA 1 43 ARG HA . . 4.540 4.292 4.291 4.294 . 0 0 "[ . 1 . 2]" 2
733 1 42 CYS HB3 1 43 ARG HA . . 5.500 5.201 5.080 5.307 . 0 0 "[ . 1 . 2]" 2
734 1 43 ARG HA 1 45 GLY HA2 . . 5.500 5.035 4.930 5.104 . 0 0 "[ . 1 . 2]" 2
735 1 43 ARG HA 1 43 ARG HG2 . . 3.490 2.652 2.585 2.733 . 0 0 "[ . 1 . 2]" 2
736 1 18 LEU HA 1 18 LEU MD1 . . 4.760 3.262 2.136 4.002 . 0 0 "[ . 1 . 2]" 2
737 1 56 GLU HA 1 57 SER HA . . 4.720 4.720 4.677 4.751 0.031 10 0 "[ . 1 . 2]" 2
738 1 55 PRO HB3 1 56 GLU HA . . 5.500 5.525 5.486 5.567 0.067 6 0 "[ . 1 . 2]" 2
739 1 40 PHE HB2 1 53 ARG HA . . 4.240 2.818 2.623 3.037 . 0 0 "[ . 1 . 2]" 2
740 1 41 LYS HG2 1 45 GLY HA2 . . 4.660 3.484 2.933 4.252 . 0 0 "[ . 1 . 2]" 2
741 1 41 LYS HA 1 41 LYS HG2 . . 3.990 3.393 2.985 3.846 . 0 0 "[ . 1 . 2]" 2
742 1 41 LYS HA 1 41 LYS HG3 . . 3.990 2.421 2.230 2.972 . 0 0 "[ . 1 . 2]" 2
743 1 41 LYS HG3 1 45 GLY HA2 . . 4.660 3.376 2.954 3.773 . 0 0 "[ . 1 . 2]" 2
744 1 56 GLU HA 1 58 HIS H . . 4.260 4.234 4.169 4.262 0.002 19 0 "[ . 1 . 2]" 2
745 1 48 PHE H 1 53 ARG HA . . 4.430 4.311 4.112 4.440 0.010 3 0 "[ . 1 . 2]" 2
746 1 48 PHE HD2 1 53 ARG HA . . 5.130 4.713 4.532 4.804 . 0 0 "[ . 1 . 2]" 2
747 1 48 PHE HB2 1 53 ARG HA . . 3.030 1.990 1.965 2.008 . 0 0 "[ . 1 . 2]" 2
748 1 53 ARG HA 1 53 ARG HD3 . . 5.500 5.207 4.884 5.491 . 0 0 "[ . 1 . 2]" 2
749 1 53 ARG HA 1 53 ARG HG2 . . 4.060 3.744 3.633 3.832 . 0 0 "[ . 1 . 2]" 2
750 1 53 ARG HA 1 53 ARG HG3 . . 4.080 3.740 3.654 3.899 . 0 0 "[ . 1 . 2]" 2
751 1 49 CYS H 1 53 ARG HA . . 4.600 4.289 4.063 4.534 . 0 0 "[ . 1 . 2]" 2
752 1 52 HIS H 1 53 ARG HA . . 4.750 4.524 4.300 4.650 . 0 0 "[ . 1 . 2]" 2
753 1 48 PHE HA 1 53 ARG HA . . 5.040 4.893 4.828 4.995 . 0 0 "[ . 1 . 2]" 2
754 1 40 PHE HB3 1 53 ARG HA . . 4.360 4.100 3.817 4.285 . 0 0 "[ . 1 . 2]" 2
755 1 53 ARG HA 1 53 ARG HD2 . . 4.670 4.587 4.522 4.624 . 0 0 "[ . 1 . 2]" 2
756 1 53 ARG HG2 1 54 TYR HA . . 4.840 4.334 4.003 4.869 0.029 18 0 "[ . 1 . 2]" 2
757 1 50 GLY HA2 1 53 ARG HG2 . . 4.270 3.647 2.963 4.053 . 0 0 "[ . 1 . 2]" 2
758 1 40 PHE HB2 1 53 ARG HG2 . . 5.120 4.905 4.566 5.071 . 0 0 "[ . 1 . 2]" 2
759 1 50 GLY HA3 1 53 ARG HG2 . . 5.500 5.053 4.417 5.517 0.017 14 0 "[ . 1 . 2]" 2
760 1 51 THR HA 1 53 ARG HG2 . . 5.500 4.631 4.210 5.016 . 0 0 "[ . 1 . 2]" 2
761 1 53 ARG HG3 1 54 TYR H . . 3.490 2.627 2.170 2.918 . 0 0 "[ . 1 . 2]" 2
762 1 53 ARG HG3 1 54 TYR HA . . 4.440 3.323 3.168 3.600 . 0 0 "[ . 1 . 2]" 2
763 1 50 GLY HA2 1 53 ARG HG3 . . 4.830 4.645 4.367 4.844 0.014 1 0 "[ . 1 . 2]" 2
764 1 40 PHE HB3 1 53 ARG HG3 . . 4.850 4.551 4.223 4.872 0.022 18 0 "[ . 1 . 2]" 2
765 1 29 LEU HB2 1 46 SER HA . . 4.780 4.724 4.611 4.797 0.017 7 0 "[ . 1 . 2]" 2
766 1 27 ARG HA 1 34 LYS HA . . 3.210 2.596 2.309 2.769 . 0 0 "[ . 1 . 2]" 2
767 1 27 ARG HD3 1 34 LYS HA . . 5.500 3.828 3.339 4.215 . 0 0 "[ . 1 . 2]" 2
768 1 34 LYS HA 1 35 VAL MG1 . . 4.370 4.012 3.875 4.117 . 0 0 "[ . 1 . 2]" 2
769 1 34 LYS HA 1 35 VAL MG2 . . 3.970 3.747 3.652 3.812 . 0 0 "[ . 1 . 2]" 2
770 1 28 CYS HA 1 49 CYS H . . 3.850 3.823 3.725 3.860 0.010 19 0 "[ . 1 . 2]" 2
771 1 28 CYS HA 1 33 LYS H . . 4.920 4.068 3.939 4.209 . 0 0 "[ . 1 . 2]" 2
772 1 28 CYS HA 1 33 LYS HB3 . . 5.500 5.180 5.080 5.233 . 0 0 "[ . 1 . 2]" 2
773 1 27 ARG HB2 1 28 CYS HA . . 5.410 5.067 4.986 5.212 . 0 0 "[ . 1 . 2]" 2
774 1 28 CYS HA 1 35 VAL MG2 . . 4.420 3.187 2.870 3.365 . 0 0 "[ . 1 . 2]" 2
775 1 27 ARG HA 1 28 CYS HA . . 4.320 4.297 4.291 4.303 . 0 0 "[ . 1 . 2]" 2
776 1 28 CYS HA 1 48 PHE HB2 . . 5.200 5.117 5.016 5.205 0.005 17 0 "[ . 1 . 2]" 2
777 1 28 CYS H 1 34 LYS HA . . 4.360 4.253 4.124 4.360 . 0 0 "[ . 1 . 2]" 2
778 1 34 LYS HA 1 34 LYS QD . . 3.930 2.433 1.980 3.127 . 0 0 "[ . 1 . 2]" 2
779 1 27 ARG HG2 1 34 LYS HA . . 3.210 2.022 1.985 2.141 . 0 0 "[ . 1 . 2]" 2
780 1 28 CYS HA 1 29 LEU HA . . 4.420 4.376 4.367 4.383 . 0 0 "[ . 1 . 2]" 2
781 1 29 LEU HA 1 29 LEU HG . . 3.410 3.023 2.868 3.184 . 0 0 "[ . 1 . 2]" 2
782 1 29 LEU HA 1 31 CYS H . . 4.970 4.913 4.803 4.971 0.001 12 0 "[ . 1 . 2]" 2
783 1 29 LEU HA 1 46 SER HB3 . . 5.180 4.838 4.680 5.042 . 0 0 "[ . 1 . 2]" 2
784 1 29 LEU H 1 29 LEU MD1 . . 4.420 4.289 4.234 4.333 . 0 0 "[ . 1 . 2]" 2
785 1 29 LEU MD1 1 47 THR H . . 4.590 4.187 3.866 4.402 . 0 0 "[ . 1 . 2]" 2
786 1 29 LEU MD1 1 46 SER HA . . 4.620 4.407 4.125 4.582 . 0 0 "[ . 1 . 2]" 2
787 1 29 LEU MD1 1 30 SER HA . . 5.370 5.050 4.732 5.331 . 0 0 "[ . 1 . 2]" 2
788 1 29 LEU HA 1 29 LEU MD1 . . 2.720 2.220 2.047 2.480 . 0 0 "[ . 1 . 2]" 2
789 1 29 LEU MD1 1 46 SER HB2 . . 4.390 3.961 3.667 4.280 . 0 0 "[ . 1 . 2]" 2
790 1 29 LEU MD1 1 46 SER HB3 . . 3.880 3.076 2.822 3.374 . 0 0 "[ . 1 . 2]" 2
791 1 18 LEU HA 1 18 LEU MD2 . . 4.760 3.420 1.927 4.076 . 0 0 "[ . 1 . 2]" 2
792 1 39 GLY HA3 1 49 CYS HA . . 4.730 4.513 4.296 4.731 0.001 9 0 "[ . 1 . 2]" 2
793 1 35 VAL HA 1 49 CYS HA . . 4.610 4.558 4.391 4.633 0.023 9 0 "[ . 1 . 2]" 2
794 1 35 VAL MG2 1 49 CYS HA . . 4.870 4.385 4.218 4.528 . 0 0 "[ . 1 . 2]" 2
795 1 28 CYS HB3 1 33 LYS HA . . 5.010 4.827 4.811 4.886 . 0 0 "[ . 1 . 2]" 2
796 1 29 LEU HB2 1 48 PHE HA . . 4.840 4.602 4.504 4.715 . 0 0 "[ . 1 . 2]" 2
797 1 48 PHE HA 1 48 PHE HE1 . . 5.500 5.471 5.408 5.495 . 0 0 "[ . 1 . 2]" 2
798 1 48 PHE HA 1 48 PHE HD1 . . 4.570 3.724 3.654 3.774 . 0 0 "[ . 1 . 2]" 2
799 1 47 THR HB 1 48 PHE HA . . 4.760 4.561 4.474 4.629 . 0 0 "[ . 1 . 2]" 2
800 1 29 LEU H 1 48 PHE HA . . 3.550 2.663 2.583 2.736 . 0 0 "[ . 1 . 2]" 2
801 1 28 CYS HA 1 48 PHE HA . . 3.030 2.099 1.993 2.195 . 0 0 "[ . 1 . 2]" 2
802 1 28 CYS HB2 1 48 PHE HA . . 3.890 3.518 3.431 3.597 . 0 0 "[ . 1 . 2]" 2
803 1 29 LEU HB3 1 48 PHE HA . . 4.730 4.411 4.304 4.567 . 0 0 "[ . 1 . 2]" 2
804 1 65 LYS HA 1 65 LYS QG . . 3.540 2.499 2.221 2.933 . 0 0 "[ . 1 . 2]" 2
805 1 59 GLU HA 1 60 CYS HA . . 4.490 4.486 4.456 4.512 0.022 15 0 "[ . 1 . 2]" 2
806 1 26 THR MG 1 28 CYS H . . 5.320 4.948 4.735 5.087 . 0 0 "[ . 1 . 2]" 2
807 1 26 THR MG 1 35 VAL H . . 4.610 3.051 2.914 3.170 . 0 0 "[ . 1 . 2]" 2
808 1 26 THR MG 1 47 THR H . . 5.220 5.227 5.203 5.245 0.025 16 0 "[ . 1 . 2]" 2
809 1 26 THR MG 1 27 ARG HA . . 4.570 3.334 3.126 3.484 . 0 0 "[ . 1 . 2]" 2
810 1 26 THR MG 1 35 VAL HA . . 4.390 4.416 4.390 4.478 0.088 16 0 "[ . 1 . 2]" 2
811 1 26 THR MG 1 36 GLY HA2 . . 4.420 2.407 2.239 2.564 . 0 0 "[ . 1 . 2]" 2
812 1 26 THR MG 1 47 THR HB . . 3.390 3.053 2.940 3.165 . 0 0 "[ . 1 . 2]" 2
813 1 26 THR MG 1 39 GLY HA3 . . 4.650 3.896 3.680 4.109 . 0 0 "[ . 1 . 2]" 2
814 1 26 THR MG 1 35 VAL HB . . 4.600 3.727 3.567 3.849 . 0 0 "[ . 1 . 2]" 2
815 1 36 GLY HA3 1 38 THR MG . . 4.970 4.809 4.596 4.925 . 0 0 "[ . 1 . 2]" 2
816 1 38 THR HA 1 38 THR MG . . 2.840 2.338 2.270 2.391 . 0 0 "[ . 1 . 2]" 2
817 1 37 VAL HB 1 38 THR MG . . 5.500 4.774 4.633 4.985 . 0 0 "[ . 1 . 2]" 2
818 1 40 PHE HB2 1 47 THR MG . . 4.960 4.660 4.460 4.813 . 0 0 "[ . 1 . 2]" 2
819 1 47 THR H 1 47 THR MG . . 3.920 3.881 3.851 3.929 0.009 1 0 "[ . 1 . 2]" 2
820 1 40 PHE QD 1 47 THR MG . . 4.970 4.384 4.192 4.565 . 0 0 "[ . 1 . 2]" 2
821 1 47 THR MG 1 48 PHE HA . . 4.330 3.748 3.525 3.935 . 0 0 "[ . 1 . 2]" 2
822 1 27 ARG HA 1 47 THR MG . . 5.270 4.798 4.645 5.059 . 0 0 "[ . 1 . 2]" 2
823 1 47 THR MG 1 49 CYS HA . . 5.500 4.652 4.506 4.744 . 0 0 "[ . 1 . 2]" 2
824 1 40 PHE HA 1 47 THR MG . . 4.290 4.154 4.060 4.298 0.008 14 0 "[ . 1 . 2]" 2
825 1 28 CYS HA 1 47 THR MG . . 4.450 3.959 3.573 4.213 . 0 0 "[ . 1 . 2]" 2
826 1 39 GLY HA2 1 47 THR MG . . 3.610 3.395 2.917 3.630 0.020 18 0 "[ . 1 . 2]" 2
827 1 46 SER HB3 1 47 THR MG . . 5.500 5.536 5.483 5.571 0.071 8 0 "[ . 1 . 2]" 2
828 1 47 THR MG 1 48 PHE HB3 . . 5.500 5.290 5.112 5.475 . 0 0 "[ . 1 . 2]" 2
829 1 39 GLY HA3 1 47 THR MG . . 3.290 2.347 2.017 2.557 . 0 0 "[ . 1 . 2]" 2
830 1 47 THR MG 1 48 PHE HB2 . . 5.190 4.641 4.488 4.884 . 0 0 "[ . 1 . 2]" 2
831 1 35 VAL HB 1 47 THR MG . . 4.120 3.119 2.900 3.335 . 0 0 "[ . 1 . 2]" 2
832 1 35 VAL MG1 1 49 CYS H . . 3.750 3.273 3.120 3.368 . 0 0 "[ . 1 . 2]" 2
833 1 28 CYS H 1 35 VAL MG1 . . 3.470 2.547 2.168 2.886 . 0 0 "[ . 1 . 2]" 2
834 1 35 VAL MG1 1 36 GLY H . . 4.640 4.035 3.977 4.202 . 0 0 "[ . 1 . 2]" 2
835 1 35 VAL MG1 1 48 PHE HA . . 4.260 3.304 3.161 3.415 . 0 0 "[ . 1 . 2]" 2
836 1 35 VAL MG1 1 49 CYS HA . . 2.890 2.093 1.963 2.298 . 0 0 "[ . 1 . 2]" 2
837 1 35 VAL HA 1 35 VAL MG1 . . 2.800 2.303 2.225 2.397 . 0 0 "[ . 1 . 2]" 2
838 1 28 CYS HA 1 35 VAL MG1 . . 3.710 2.747 2.550 2.944 . 0 0 "[ . 1 . 2]" 2
839 1 35 VAL MG1 1 39 GLY HA2 . . 3.710 2.972 2.702 3.080 . 0 0 "[ . 1 . 2]" 2
840 1 35 VAL MG1 1 49 CYS HB2 . . 3.240 3.042 2.816 3.229 . 0 0 "[ . 1 . 2]" 2
841 1 35 VAL MG1 1 39 GLY HA3 . . 3.710 3.538 3.451 3.666 . 0 0 "[ . 1 . 2]" 2
842 1 35 VAL MG1 1 49 CYS HB3 . . 3.080 2.254 2.084 2.360 . 0 0 "[ . 1 . 2]" 2
843 1 33 LYS HB2 1 35 VAL MG1 . . 4.700 4.661 4.560 4.745 0.045 9 0 "[ . 1 . 2]" 2
844 1 33 LYS QD 1 35 VAL MG1 . . 3.870 3.457 3.023 3.880 0.010 19 0 "[ . 1 . 2]" 2
845 1 33 LYS HG2 1 35 VAL MG1 . . 3.850 3.522 3.272 3.776 . 0 0 "[ . 1 . 2]" 2
846 1 35 VAL MG1 1 40 PHE H . . 4.300 3.835 3.589 4.037 . 0 0 "[ . 1 . 2]" 2
847 1 27 ARG H 1 35 VAL MG1 . . 5.500 4.859 4.678 5.129 . 0 0 "[ . 1 . 2]" 2
848 1 35 VAL MG1 1 51 THR H . . 5.500 5.247 5.029 5.365 . 0 0 "[ . 1 . 2]" 2
849 1 35 VAL MG1 1 40 PHE QD . . 4.880 3.849 3.500 4.166 . 0 0 "[ . 1 . 2]" 2
850 1 33 LYS HB3 1 35 VAL MG1 . . 3.800 3.235 3.096 3.315 . 0 0 "[ . 1 . 2]" 2
851 1 27 ARG HB3 1 35 VAL MG1 . . 4.440 4.189 3.980 4.375 . 0 0 "[ . 1 . 2]" 2
852 1 8 THR HA 1 8 THR MG . . 2.950 2.431 2.131 3.192 0.242 13 0 "[ . 1 . 2]" 2
853 1 37 VAL MG2 1 38 THR HA . . 4.440 3.743 3.464 4.071 . 0 0 "[ . 1 . 2]" 2
854 1 51 THR H 1 51 THR MG . . 3.960 3.815 3.785 3.874 . 0 0 "[ . 1 . 2]" 2
855 1 51 THR MG 1 52 HIS HA . . 4.220 3.804 3.667 3.966 . 0 0 "[ . 1 . 2]" 2
856 1 28 CYS HB3 1 32 ASN HA . . 4.720 2.892 2.797 2.986 . 0 0 "[ . 1 . 2]" 2
857 1 58 HIS HA 1 59 GLU QB . . 4.880 4.384 4.152 4.637 . 0 0 "[ . 1 . 2]" 2
858 1 27 ARG HA 1 28 CYS HB3 . . 5.500 5.206 5.156 5.255 . 0 0 "[ . 1 . 2]" 2
859 1 27 ARG HA 1 35 VAL MG1 . . 4.750 2.954 2.720 3.246 . 0 0 "[ . 1 . 2]" 2
860 1 63 ASP HA 1 64 PHE HA . . 4.960 4.387 4.356 4.473 . 0 0 "[ . 1 . 2]" 2
861 1 15 ALA MB 1 16 ALA HA . . 5.320 4.218 3.886 5.059 . 0 0 "[ . 1 . 2]" 2
862 1 15 ALA MB 1 46 SER HA . . 5.500 3.361 1.915 5.066 . 0 0 "[ . 1 . 2]" 2
863 1 68 ALA MB 1 69 SER H . . 4.830 3.263 2.176 3.711 . 0 0 "[ . 1 . 2]" 2
864 1 67 VAL HA 1 68 ALA MB . . 4.880 4.154 3.809 4.891 0.011 5 0 "[ . 1 . 2]" 2
865 1 25 ALA MB 1 34 LYS QE . . 4.020 3.366 2.393 4.021 0.001 11 0 "[ . 1 . 2]" 2
866 1 37 VAL MG1 1 38 THR HA . . 4.080 3.328 3.080 3.592 . 0 0 "[ . 1 . 2]" 2
867 1 37 VAL MG1 1 38 THR HB . . 4.630 4.451 4.322 4.607 . 0 0 "[ . 1 . 2]" 2
868 1 37 VAL HA 1 37 VAL MG1 . . 3.420 3.196 3.183 3.204 . 0 0 "[ . 1 . 2]" 2
869 1 35 VAL MG2 1 49 CYS H . . 5.210 5.040 4.856 5.140 . 0 0 "[ . 1 . 2]" 2
870 1 16 ALA MB 1 17 PRO HD2 . . 4.050 2.593 2.029 3.905 . 0 0 "[ . 1 . 2]" 2
871 1 16 ALA MB 1 17 PRO HD3 . . 4.050 3.578 3.193 4.047 . 0 0 "[ . 1 . 2]" 2
872 1 35 VAL MG2 1 47 THR HB . . 4.190 2.843 2.731 3.068 . 0 0 "[ . 1 . 2]" 2
873 1 35 VAL MG2 1 49 CYS HB3 . . 4.790 4.665 4.317 4.818 0.028 5 0 "[ . 1 . 2]" 2
874 1 34 LYS QD 1 35 VAL MG2 . . 4.680 4.462 4.293 4.640 . 0 0 "[ . 1 . 2]" 2
875 1 28 CYS H 1 35 VAL MG2 . . 3.840 3.364 2.702 3.697 . 0 0 "[ . 1 . 2]" 2
876 1 35 VAL MG2 1 48 PHE HA . . 4.870 3.988 3.905 4.110 . 0 0 "[ . 1 . 2]" 2
877 1 27 ARG HA 1 35 VAL MG2 . . 3.380 2.259 1.999 2.458 . 0 0 "[ . 1 . 2]" 2
878 1 35 VAL HA 1 35 VAL MG2 . . 3.280 3.194 3.178 3.203 . 0 0 "[ . 1 . 2]" 2
879 1 35 VAL MG2 1 39 GLY HA3 . . 3.160 2.506 2.341 2.696 . 0 0 "[ . 1 . 2]" 2
880 1 28 CYS HB2 1 35 VAL MG2 . . 4.420 4.204 3.719 4.427 0.007 6 0 "[ . 1 . 2]" 2
881 1 27 ARG HB2 1 35 VAL MG2 . . 4.760 4.585 4.218 4.762 0.002 4 0 "[ . 1 . 2]" 2
882 1 27 ARG HB3 1 35 VAL MG2 . . 4.600 4.293 3.854 4.524 . 0 0 "[ . 1 . 2]" 2
883 1 27 ARG HG2 1 35 VAL MG2 . . 5.030 4.341 4.089 4.630 . 0 0 "[ . 1 . 2]" 2
884 1 26 THR MG 1 35 VAL MG2 . . 3.180 1.725 1.685 1.796 . 0 0 "[ . 1 . 2]" 2
885 1 35 VAL MG2 1 47 THR MG . . 2.920 1.792 1.701 1.936 . 0 0 "[ . 1 . 2]" 2
886 1 29 LEU HB3 1 29 LEU MD1 . . 3.350 3.174 3.147 3.194 . 0 0 "[ . 1 . 2]" 2
887 1 29 LEU HB2 1 29 LEU MD1 . . 3.080 2.251 2.084 2.382 . 0 0 "[ . 1 . 2]" 2
888 1 11 GLY QA 1 12 ASP QB . . 5.210 4.217 3.769 4.622 . 0 0 "[ . 1 . 2]" 2
889 1 13 SER QB 1 14 ALA MB . . 5.320 4.455 3.864 5.163 . 0 0 "[ . 1 . 2]" 2
890 1 16 ALA HA 1 17 PRO QD . . 2.960 2.012 1.853 2.327 . 0 0 "[ . 1 . 2]" 2
891 1 16 ALA MB 1 17 PRO QD . . 3.330 2.520 2.010 3.539 0.209 16 0 "[ . 1 . 2]" 2
892 1 17 PRO HA 1 18 LEU QB . . 5.020 4.518 4.170 4.875 . 0 0 "[ . 1 . 2]" 2
893 1 17 PRO QB 1 18 LEU H . . 4.050 2.506 1.884 3.910 . 0 0 "[ . 1 . 2]" 2
894 1 18 LEU H 1 18 LEU QB . . 3.150 2.374 2.109 3.134 . 0 0 "[ . 1 . 2]" 2
895 1 18 LEU H 1 18 LEU QD . . 4.570 2.757 1.761 4.093 . 0 0 "[ . 1 . 2]" 2
896 1 18 LEU HA 1 18 LEU QD . . 3.540 2.791 1.904 3.409 . 0 0 "[ . 1 . 2]" 2
897 1 19 ASP H 1 19 ASP QB . . 3.450 2.661 2.171 3.241 . 0 0 "[ . 1 . 2]" 2
898 1 19 ASP QB 1 20 PRO QD . . 3.490 2.412 1.966 3.781 0.291 20 0 "[ . 1 . 2]" 2
899 1 20 PRO HA 1 21 PRO QD . . 2.750 2.034 1.860 2.200 . 0 0 "[ . 1 . 2]" 2
900 1 20 PRO QB 1 21 PRO QD . . 3.500 2.504 1.926 3.228 . 0 0 "[ . 1 . 2]" 2
901 1 22 LYS H 1 22 LYS QG . . 4.650 3.503 2.258 4.336 . 0 0 "[ . 1 . 2]" 2
902 1 22 LYS HA 1 22 LYS QG . . 3.600 2.563 2.156 3.376 . 0 0 "[ . 1 . 2]" 2
903 1 27 ARG H 1 27 ARG QD . . 5.050 4.475 4.107 4.691 . 0 0 "[ . 1 . 2]" 2
904 1 27 ARG HB3 1 27 ARG QD . . 3.580 2.383 2.212 2.632 . 0 0 "[ . 1 . 2]" 2
905 1 27 ARG QD 1 28 CYS H . . 5.150 4.459 4.160 4.781 . 0 0 "[ . 1 . 2]" 2
906 1 27 ARG QD 1 32 ASN HA . . 4.150 3.981 3.880 4.077 . 0 0 "[ . 1 . 2]" 2
907 1 27 ARG QD 1 32 ASN QD . . 4.130 3.058 1.764 4.041 . 0 0 "[ . 1 . 2]" 2
908 1 27 ARG QD 1 34 LYS HA . . 4.670 3.691 3.263 3.999 . 0 0 "[ . 1 . 2]" 2
909 1 31 CYS H 1 32 ASN QB . . 5.000 4.703 4.477 5.024 0.024 3 0 "[ . 1 . 2]" 2
910 1 31 CYS HA 1 32 ASN QB . . 4.680 4.098 3.969 4.634 . 0 0 "[ . 1 . 2]" 2
911 1 32 ASN H 1 32 ASN QB . . 3.360 3.000 2.821 3.329 . 0 0 "[ . 1 . 2]" 2
912 1 32 ASN QB 1 32 ASN QD . . 2.960 2.172 2.065 2.482 . 0 0 "[ . 1 . 2]" 2
913 1 32 ASN QB 1 33 LYS HA . . 5.340 4.399 4.270 4.643 . 0 0 "[ . 1 . 2]" 2
914 1 34 LYS H 1 34 LYS QB . . 2.940 2.198 2.110 2.264 . 0 0 "[ . 1 . 2]" 2
915 1 34 LYS H 1 34 LYS QG . . 4.760 3.972 3.750 4.057 . 0 0 "[ . 1 . 2]" 2
916 1 34 LYS QB 1 34 LYS QE . . 3.700 3.251 1.978 3.708 0.008 5 0 "[ . 1 . 2]" 2
917 1 34 LYS QB 1 35 VAL H . . 4.030 3.939 3.840 3.997 . 0 0 "[ . 1 . 2]" 2
918 1 34 LYS QB 1 35 VAL HA . . 5.340 4.613 4.367 4.797 . 0 0 "[ . 1 . 2]" 2
919 1 34 LYS QB 1 36 GLY H . . 4.780 4.666 4.459 4.786 0.006 5 0 "[ . 1 . 2]" 2
920 1 34 LYS QE 1 34 LYS QG . . 3.250 2.244 2.065 2.630 . 0 0 "[ . 1 . 2]" 2
921 1 34 LYS QG 1 35 VAL H . . 3.950 3.496 3.346 3.650 . 0 0 "[ . 1 . 2]" 2
922 1 34 LYS QG 1 35 VAL MG1 . . 5.340 5.010 4.724 5.361 0.021 9 0 "[ . 1 . 2]" 2
923 1 41 LYS HA 1 41 LYS QG . . 3.430 2.369 2.191 2.878 . 0 0 "[ . 1 . 2]" 2
924 1 41 LYS QG 1 45 GLY H . . 4.440 3.791 3.594 3.975 . 0 0 "[ . 1 . 2]" 2
925 1 41 LYS QG 1 45 GLY HA3 . . 5.220 4.435 4.223 5.024 . 0 0 "[ . 1 . 2]" 2
926 1 41 LYS QG 1 46 SER H . . 5.340 4.538 3.621 5.349 0.009 14 0 "[ . 1 . 2]" 2
927 1 43 ARG HA 1 43 ARG QD . . 3.900 3.808 3.674 4.045 0.145 7 0 "[ . 1 . 2]" 2
928 1 43 ARG HB2 1 43 ARG QD . . 3.640 2.675 2.571 2.739 . 0 0 "[ . 1 . 2]" 2
929 1 43 ARG QD 1 64 PHE QE . . 4.670 2.395 1.959 3.423 . 0 0 "[ . 1 . 2]" 2
930 1 52 HIS HB2 1 58 HIS QB . . 4.360 3.943 3.576 4.323 . 0 0 "[ . 1 . 2]" 2
931 1 52 HIS HB3 1 58 HIS QB . . 3.610 2.385 2.022 2.706 . 0 0 "[ . 1 . 2]" 2
932 1 52 HIS HD2 1 58 HIS QB . . 4.270 3.924 3.700 4.117 . 0 0 "[ . 1 . 2]" 2
933 1 56 GLU H 1 56 GLU QB . . 3.540 2.527 2.407 2.640 . 0 0 "[ . 1 . 2]" 2
934 1 56 GLU HA 1 56 GLU QB . . 2.530 2.179 2.178 2.180 . 0 0 "[ . 1 . 2]" 2
935 1 56 GLU QB 1 56 GLU QG . . 2.420 2.061 2.013 2.087 . 0 0 "[ . 1 . 2]" 2
936 1 56 GLU QB 1 57 SER H . . 4.090 3.519 3.441 3.643 . 0 0 "[ . 1 . 2]" 2
937 1 56 GLU QB 1 57 SER QB . . 5.170 4.833 4.550 5.145 . 0 0 "[ . 1 . 2]" 2
938 1 58 HIS H 1 58 HIS QB . . 3.660 2.797 2.722 2.883 . 0 0 "[ . 1 . 2]" 2
939 1 58 HIS QB 1 58 HIS HD2 . . 3.440 2.803 2.763 2.945 . 0 0 "[ . 1 . 2]" 2
940 1 59 GLU QB 1 61 GLN QE . . 4.570 3.983 2.854 4.587 0.017 5 0 "[ . 1 . 2]" 2
941 1 60 CYS HA 1 61 GLN QB . . 4.850 4.389 4.247 4.541 . 0 0 "[ . 1 . 2]" 2
942 1 61 GLN H 1 61 GLN QB . . 3.460 2.441 2.272 2.597 . 0 0 "[ . 1 . 2]" 2
943 1 61 GLN HA 1 61 GLN QE . . 4.720 3.982 2.150 4.723 0.003 19 0 "[ . 1 . 2]" 2
944 1 61 GLN QB 1 62 PHE HA . . 4.880 3.847 3.788 4.232 . 0 0 "[ . 1 . 2]" 2
945 1 62 PHE HA 1 63 ASP QB . . 4.290 4.152 4.054 4.288 . 0 0 "[ . 1 . 2]" 2
946 1 63 ASP QB 1 64 PHE H . . 3.930 3.571 3.079 3.862 . 0 0 "[ . 1 . 2]" 2
947 1 64 PHE H 1 64 PHE QB . . 3.000 2.230 2.139 2.394 . 0 0 "[ . 1 . 2]" 2
948 1 64 PHE HA 1 67 VAL QG . . 5.190 4.666 3.254 5.192 0.002 6 0 "[ . 1 . 2]" 2
949 1 64 PHE QB 1 65 LYS H . . 3.720 2.341 1.957 3.782 0.062 12 0 "[ . 1 . 2]" 2
950 1 64 PHE QB 1 65 LYS HA . . 5.340 4.266 4.017 5.198 . 0 0 "[ . 1 . 2]" 2
951 1 64 PHE QB 1 65 LYS QG . . 5.340 4.717 3.040 5.421 0.081 12 0 "[ . 1 . 2]" 2
952 1 64 PHE QD 1 67 VAL QG . . 4.840 3.669 2.268 4.736 . 0 0 "[ . 1 . 2]" 2
953 1 65 LYS H 1 65 LYS QB . . 3.120 2.470 2.192 3.012 . 0 0 "[ . 1 . 2]" 2
954 1 65 LYS QB 1 66 GLY H . . 4.320 3.349 2.100 4.045 . 0 0 "[ . 1 . 2]" 2
955 1 65 LYS QB 1 67 VAL H . . 4.870 4.006 2.441 4.881 0.011 12 0 "[ . 1 . 2]" 2
956 1 65 LYS QB 1 67 VAL HB . . 4.580 4.087 3.121 4.583 0.003 10 0 "[ . 1 . 2]" 2
957 1 65 LYS QB 1 67 VAL QG . . 4.580 3.047 1.907 4.170 . 0 0 "[ . 1 . 2]" 2
958 1 66 GLY QA 1 67 VAL QG . . 5.250 3.899 3.615 4.116 . 0 0 "[ . 1 . 2]" 2
959 1 67 VAL H 1 67 VAL QG . . 3.440 2.174 1.969 2.697 . 0 0 "[ . 1 . 2]" 2
960 1 67 VAL QG 1 68 ALA H . . 4.410 2.382 1.888 3.687 . 0 0 "[ . 1 . 2]" 2
961 1 67 VAL QG 1 68 ALA HA . . 4.220 3.547 2.898 4.219 . 0 0 "[ . 1 . 2]" 2
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