NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508348 |
2eou   |
10158 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eou
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 12
_Distance_constraint_stats_list.Viol_count 16
_Distance_constraint_stats_list.Viol_total 0.223
_Distance_constraint_stats_list.Viol_max 0.003
_Distance_constraint_stats_list.Viol_rms 0.0003
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0007
_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 15 CYS 0.009 0.003 17 0 "[ . 1 . 2]"
1 18 CYS 0.002 0.001 19 0 "[ . 1 . 2]"
1 31 HIS 0.002 0.001 19 0 "[ . 1 . 2]"
1 35 HIS 0.001 0.000 2 0 "[ . 1 . 2]"
2 1 ZN 0.009 0.003 17 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 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.381 2.353 2.392 0.002 15 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.253 3.247 3.283 0.003 17 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.306 2.214 2.377 . 0 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.460 3.340 3.510 . 0 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.028 1.904 2.099 . 0 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 1.913 1.900 1.954 0.000 2 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.842 3.619 3.958 . 0 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.401 3.320 3.720 0.000 14 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.550 3.421 3.697 . 0 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.327 3.319 3.350 0.001 19 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.676 3.499 3.720 0.000 19 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.229 3.054 3.383 . 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 713
_Distance_constraint_stats_list.Viol_count 151
_Distance_constraint_stats_list.Viol_total 11.953
_Distance_constraint_stats_list.Viol_max 0.034
_Distance_constraint_stats_list.Viol_rms 0.0007
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0040
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.029 0.029 16 0 "[ . 1 . 2]"
1 10 LYS 0.029 0.029 16 0 "[ . 1 . 2]"
1 11 THR 0.026 0.011 16 0 "[ . 1 . 2]"
1 12 THR 0.112 0.034 15 0 "[ . 1 . 2]"
1 13 SER 0.117 0.023 18 0 "[ . 1 . 2]"
1 14 GLU 0.175 0.023 18 0 "[ . 1 . 2]"
1 15 CYS 0.070 0.014 12 0 "[ . 1 . 2]"
1 16 GLN 0.015 0.004 13 0 "[ . 1 . 2]"
1 17 GLU 0.015 0.003 12 0 "[ . 1 . 2]"
1 18 CYS 0.004 0.002 18 0 "[ . 1 . 2]"
1 19 GLY 0.024 0.004 13 0 "[ . 1 . 2]"
1 20 LYS 0.003 0.001 19 0 "[ . 1 . 2]"
1 21 ILE 0.021 0.004 13 0 "[ . 1 . 2]"
1 22 PHE 0.088 0.020 14 0 "[ . 1 . 2]"
1 23 ARG 0.038 0.020 19 0 "[ . 1 . 2]"
1 24 HIS 0.054 0.025 20 0 "[ . 1 . 2]"
1 25 SER 0.040 0.020 14 0 "[ . 1 . 2]"
1 26 SER 0.048 0.025 20 0 "[ . 1 . 2]"
1 27 LEU 0.041 0.014 20 0 "[ . 1 . 2]"
1 28 LEU 0.016 0.005 12 0 "[ . 1 . 2]"
1 29 ILE 0.017 0.004 12 0 "[ . 1 . 2]"
1 30 GLU 0.015 0.004 14 0 "[ . 1 . 2]"
1 31 HIS 0.020 0.004 14 0 "[ . 1 . 2]"
1 32 GLN 0.008 0.005 12 0 "[ . 1 . 2]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 0.006 0.002 18 0 "[ . 1 . 2]"
1 35 HIS 0.006 0.004 19 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 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 36 ALA H 1 37 GLY H . . 4.440 3.726 2.849 4.431 . 0 0 "[ . 1 . 2]" 2
2 1 36 ALA MB 1 37 GLY H . . 4.300 3.065 1.922 3.712 . 0 0 "[ . 1 . 2]" 2
3 1 14 GLU H 1 21 ILE HA . . 4.580 4.270 4.102 4.439 . 0 0 "[ . 1 . 2]" 2
4 1 14 GLU H 1 15 CYS H . . 4.610 4.557 4.488 4.590 . 0 0 "[ . 1 . 2]" 2
5 1 13 SER H 1 14 GLU H . . 4.370 3.803 3.574 4.216 . 0 0 "[ . 1 . 2]" 2
6 1 13 SER HA 1 14 GLU H . . 3.170 2.438 2.204 2.556 . 0 0 "[ . 1 . 2]" 2
7 1 12 THR HB 1 14 GLU H . . 5.070 3.806 3.321 4.618 . 0 0 "[ . 1 . 2]" 2
8 1 14 GLU H 1 14 GLU HB3 . . 3.170 2.331 2.259 2.444 . 0 0 "[ . 1 . 2]" 2
9 1 12 THR MG 1 14 GLU H . . 4.760 4.133 3.500 4.718 . 0 0 "[ . 1 . 2]" 2
10 1 14 GLU H 1 28 LEU MD2 . . 4.490 3.715 3.289 4.098 . 0 0 "[ . 1 . 2]" 2
11 1 14 GLU H 1 21 ILE MG . . 4.920 4.430 4.213 4.671 . 0 0 "[ . 1 . 2]" 2
12 1 35 HIS H 1 36 ALA H . . 3.480 2.755 2.631 3.042 . 0 0 "[ . 1 . 2]" 2
13 1 33 ALA HA 1 35 HIS H . . 4.640 4.233 3.979 4.358 . 0 0 "[ . 1 . 2]" 2
14 1 35 HIS H 1 35 HIS HB3 . . 3.740 3.577 3.568 3.625 . 0 0 "[ . 1 . 2]" 2
15 1 35 HIS H 1 35 HIS HB2 . . 3.320 2.373 2.349 2.479 . 0 0 "[ . 1 . 2]" 2
16 1 34 LEU HB3 1 35 HIS H . . 3.970 3.634 3.577 3.718 . 0 0 "[ . 1 . 2]" 2
17 1 35 HIS H 1 35 HIS HE1 . . 5.500 5.492 5.454 5.504 0.004 19 0 "[ . 1 . 2]" 2
18 1 34 LEU HB2 1 35 HIS H . . 4.270 3.963 3.911 4.067 . 0 0 "[ . 1 . 2]" 2
19 1 17 GLU HG3 1 18 CYS H . . 5.080 4.614 4.153 5.039 . 0 0 "[ . 1 . 2]" 2
20 1 17 GLU H 1 18 CYS H . . 2.990 2.698 2.521 2.844 . 0 0 "[ . 1 . 2]" 2
21 1 18 CYS H 1 20 LYS H . . 4.380 3.810 3.694 3.908 . 0 0 "[ . 1 . 2]" 2
22 1 15 CYS HA 1 18 CYS H . . 5.030 4.604 4.487 4.709 . 0 0 "[ . 1 . 2]" 2
23 1 15 CYS HB3 1 18 CYS H . . 3.520 2.917 2.771 3.012 . 0 0 "[ . 1 . 2]" 2
24 1 18 CYS H 1 18 CYS HB3 . . 3.460 3.078 2.977 3.161 . 0 0 "[ . 1 . 2]" 2
25 1 17 GLU QB 1 18 CYS H . . 3.140 2.405 2.204 2.650 . 0 0 "[ . 1 . 2]" 2
26 1 8 ALA MB 1 9 ALA H . . 4.350 2.858 2.026 3.718 . 0 0 "[ . 1 . 2]" 2
27 1 21 ILE H 1 22 PHE H . . 4.700 4.582 4.532 4.611 . 0 0 "[ . 1 . 2]" 2
28 1 22 PHE H 1 22 PHE QE . . 5.210 5.031 4.894 5.140 . 0 0 "[ . 1 . 2]" 2
29 1 14 GLU HA 1 22 PHE H . . 3.640 2.899 2.780 3.018 . 0 0 "[ . 1 . 2]" 2
30 1 21 ILE HA 1 22 PHE H . . 2.640 2.196 2.159 2.234 . 0 0 "[ . 1 . 2]" 2
31 1 12 THR HB 1 22 PHE H . . 4.550 4.192 3.902 4.500 . 0 0 "[ . 1 . 2]" 2
32 1 13 SER HB3 1 22 PHE H . . 5.200 4.915 4.781 5.016 . 0 0 "[ . 1 . 2]" 2
33 1 22 PHE H 1 22 PHE HB3 . . 4.050 3.801 3.768 3.844 . 0 0 "[ . 1 . 2]" 2
34 1 22 PHE H 1 22 PHE HB2 . . 3.180 2.678 2.622 2.752 . 0 0 "[ . 1 . 2]" 2
35 1 14 GLU HB2 1 22 PHE H . . 4.730 3.944 3.752 4.242 . 0 0 "[ . 1 . 2]" 2
36 1 12 THR MG 1 22 PHE H . . 4.260 2.816 2.467 3.148 . 0 0 "[ . 1 . 2]" 2
37 1 21 ILE HG13 1 22 PHE H . . 4.370 4.243 4.140 4.351 . 0 0 "[ . 1 . 2]" 2
38 1 21 ILE MG 1 22 PHE H . . 3.110 2.296 2.168 2.472 . 0 0 "[ . 1 . 2]" 2
39 1 11 THR HA 1 12 THR H . . 3.440 2.751 2.141 3.451 0.011 16 0 "[ . 1 . 2]" 2
40 1 11 THR HB 1 12 THR H . . 4.450 4.107 3.419 4.451 0.001 4 0 "[ . 1 . 2]" 2
41 1 12 THR H 1 12 THR MG . . 3.980 3.870 3.655 4.014 0.034 15 0 "[ . 1 . 2]" 2
42 1 15 CYS H 1 16 GLN H . . 5.400 4.295 4.043 4.379 . 0 0 "[ . 1 . 2]" 2
43 1 16 GLN H 1 18 CYS H . . 5.310 4.672 4.445 4.957 . 0 0 "[ . 1 . 2]" 2
44 1 15 CYS HA 1 16 GLN H . . 3.140 2.174 2.148 2.276 . 0 0 "[ . 1 . 2]" 2
45 1 15 CYS HB3 1 16 GLN H . . 5.110 4.301 4.254 4.389 . 0 0 "[ . 1 . 2]" 2
46 1 16 GLN H 1 16 GLN QG . . 3.960 2.061 1.933 2.683 . 0 0 "[ . 1 . 2]" 2
47 1 16 GLN H 1 17 GLU QB . . 5.090 4.611 4.378 4.868 . 0 0 "[ . 1 . 2]" 2
48 1 15 CYS HB2 1 16 GLN H . . 4.880 4.526 4.477 4.632 . 0 0 "[ . 1 . 2]" 2
49 1 35 HIS HB3 1 36 ALA H . . 4.550 3.395 3.095 4.465 . 0 0 "[ . 1 . 2]" 2
50 1 35 HIS HB2 1 36 ALA H . . 4.320 2.569 2.300 4.142 . 0 0 "[ . 1 . 2]" 2
51 1 34 LEU HA 1 36 ALA H . . 5.050 4.644 3.467 5.018 . 0 0 "[ . 1 . 2]" 2
52 1 24 HIS H 1 24 HIS HB3 . . 3.460 3.289 3.208 3.468 0.008 19 0 "[ . 1 . 2]" 2
53 1 24 HIS H 1 27 LEU HB2 . . 3.760 2.991 2.786 3.132 . 0 0 "[ . 1 . 2]" 2
54 1 24 HIS H 1 27 LEU HB3 . . 4.770 4.466 4.186 4.633 . 0 0 "[ . 1 . 2]" 2
55 1 23 ARG QB 1 24 HIS H . . 3.860 1.943 1.890 2.144 . 0 0 "[ . 1 . 2]" 2
56 1 20 LYS H 1 20 LYS HB2 . . 3.130 2.563 2.466 2.622 . 0 0 "[ . 1 . 2]" 2
57 1 20 LYS H 1 28 LEU MD1 . . 5.500 4.661 4.514 4.843 . 0 0 "[ . 1 . 2]" 2
58 1 14 GLU HG2 1 19 GLY H . . 4.620 4.421 4.112 4.553 . 0 0 "[ . 1 . 2]" 2
59 1 15 CYS H 1 19 GLY H . . 4.540 4.032 3.954 4.093 . 0 0 "[ . 1 . 2]" 2
60 1 17 GLU H 1 19 GLY H . . 3.900 3.890 3.830 3.903 0.003 12 0 "[ . 1 . 2]" 2
61 1 18 CYS H 1 19 GLY H . . 2.740 2.046 1.979 2.114 . 0 0 "[ . 1 . 2]" 2
62 1 19 GLY H 1 20 LYS H . . 3.480 2.095 2.027 2.159 . 0 0 "[ . 1 . 2]" 2
63 1 15 CYS HA 1 19 GLY H . . 5.170 4.558 4.507 4.608 . 0 0 "[ . 1 . 2]" 2
64 1 19 GLY H 1 19 GLY HA2 . . 2.760 2.443 2.430 2.454 . 0 0 "[ . 1 . 2]" 2
65 1 15 CYS HB3 1 19 GLY H . . 3.490 2.338 2.207 2.469 . 0 0 "[ . 1 . 2]" 2
66 1 17 GLU QB 1 19 GLY H . . 4.480 4.184 4.044 4.389 . 0 0 "[ . 1 . 2]" 2
67 1 19 GLY H 1 20 LYS HB2 . . 4.740 3.934 3.873 4.020 . 0 0 "[ . 1 . 2]" 2
68 1 28 LEU H 1 29 ILE H . . 3.050 2.579 2.518 2.620 . 0 0 "[ . 1 . 2]" 2
69 1 28 LEU H 1 30 GLU H . . 4.430 4.285 4.140 4.358 . 0 0 "[ . 1 . 2]" 2
70 1 25 SER HA 1 28 LEU H . . 3.580 3.432 3.348 3.484 . 0 0 "[ . 1 . 2]" 2
71 1 13 SER HB3 1 28 LEU H . . 4.710 4.317 4.112 4.507 . 0 0 "[ . 1 . 2]" 2
72 1 13 SER HB2 1 28 LEU H . . 5.010 4.012 3.893 4.156 . 0 0 "[ . 1 . 2]" 2
73 1 22 PHE HB3 1 28 LEU H . . 3.960 2.958 2.888 3.037 . 0 0 "[ . 1 . 2]" 2
74 1 22 PHE HB2 1 28 LEU H . . 4.280 3.217 3.005 3.416 . 0 0 "[ . 1 . 2]" 2
75 1 28 LEU H 1 28 LEU HB3 . . 2.880 2.263 2.228 2.274 . 0 0 "[ . 1 . 2]" 2
76 1 27 LEU HB3 1 28 LEU H . . 3.740 3.211 3.111 3.364 . 0 0 "[ . 1 . 2]" 2
77 1 28 LEU H 1 28 LEU HG . . 4.290 4.282 4.243 4.293 0.003 14 0 "[ . 1 . 2]" 2
78 1 28 LEU H 1 28 LEU HB2 . . 3.030 2.790 2.772 2.834 . 0 0 "[ . 1 . 2]" 2
79 1 28 LEU H 1 28 LEU MD1 . . 4.750 4.239 4.179 4.284 . 0 0 "[ . 1 . 2]" 2
80 1 28 LEU H 1 28 LEU MD2 . . 5.060 4.138 4.112 4.181 . 0 0 "[ . 1 . 2]" 2
81 1 22 PHE HB2 1 27 LEU H . . 5.500 5.315 5.036 5.488 . 0 0 "[ . 1 . 2]" 2
82 1 27 LEU H 1 29 ILE H . . 4.200 4.131 3.973 4.199 . 0 0 "[ . 1 . 2]" 2
83 1 27 LEU H 1 27 LEU MD2 . . 3.800 3.755 3.658 3.814 0.014 20 0 "[ . 1 . 2]" 2
84 1 31 HIS HB3 1 33 ALA H . . 5.320 5.120 4.989 5.226 . 0 0 "[ . 1 . 2]" 2
85 1 24 HIS HB2 1 27 LEU H . . 4.200 3.934 3.742 4.016 . 0 0 "[ . 1 . 2]" 2
86 1 27 LEU H 1 27 LEU HB2 . . 3.010 2.316 2.262 2.374 . 0 0 "[ . 1 . 2]" 2
87 1 27 LEU H 1 27 LEU HG . . 2.950 2.627 2.521 2.715 . 0 0 "[ . 1 . 2]" 2
88 1 27 LEU H 1 27 LEU MD1 . . 3.890 3.589 3.467 3.724 . 0 0 "[ . 1 . 2]" 2
89 1 33 ALA H 1 34 LEU H . . 3.260 2.890 2.791 2.937 . 0 0 "[ . 1 . 2]" 2
90 1 30 GLU HA 1 33 ALA H . . 4.220 3.760 3.683 3.880 . 0 0 "[ . 1 . 2]" 2
91 1 32 GLN HG3 1 33 ALA H . . 4.730 4.498 4.335 4.677 . 0 0 "[ . 1 . 2]" 2
92 1 32 GLN HB2 1 33 ALA H . . 3.890 2.641 2.555 2.854 . 0 0 "[ . 1 . 2]" 2
93 1 32 GLN HB3 1 33 ALA H . . 4.120 3.474 3.329 3.593 . 0 0 "[ . 1 . 2]" 2
94 1 14 GLU HA 1 21 ILE H . . 5.030 4.361 4.222 4.479 . 0 0 "[ . 1 . 2]" 2
95 1 21 ILE H 1 21 ILE HB . . 2.760 2.495 2.454 2.541 . 0 0 "[ . 1 . 2]" 2
96 1 9 ALA MB 1 10 LYS H . . 4.810 2.911 2.128 3.714 . 0 0 "[ . 1 . 2]" 2
97 1 20 LYS HB3 1 21 ILE H . . 4.150 4.087 4.012 4.150 . 0 0 "[ . 1 . 2]" 2
98 1 21 ILE H 1 21 ILE HG13 . . 3.380 3.160 3.091 3.247 . 0 0 "[ . 1 . 2]" 2
99 1 21 ILE H 1 21 ILE MD . . 3.430 1.893 1.784 2.047 . 0 0 "[ . 1 . 2]" 2
100 1 38 GLU H 1 38 GLU HG2 . . 5.500 3.386 1.940 4.473 . 0 0 "[ . 1 . 2]" 2
101 1 38 GLU H 1 38 GLU HG3 . . 5.500 3.687 1.969 4.715 . 0 0 "[ . 1 . 2]" 2
102 1 16 GLN H 1 17 GLU H . . 3.530 2.603 2.531 2.790 . 0 0 "[ . 1 . 2]" 2
103 1 17 GLU H 1 18 CYS HA . . 5.500 5.246 5.150 5.321 . 0 0 "[ . 1 . 2]" 2
104 1 15 CYS HA 1 17 GLU H . . 3.970 3.363 3.233 3.431 . 0 0 "[ . 1 . 2]" 2
105 1 15 CYS HB3 1 17 GLU H . . 4.410 3.834 3.757 3.882 . 0 0 "[ . 1 . 2]" 2
106 1 15 CYS HB2 1 17 GLU H . . 4.810 4.631 4.577 4.694 . 0 0 "[ . 1 . 2]" 2
107 1 16 GLN QG 1 17 GLU H . . 4.400 2.564 2.374 2.670 . 0 0 "[ . 1 . 2]" 2
108 1 16 GLN HB3 1 17 GLU H . . 4.430 4.229 4.174 4.285 . 0 0 "[ . 1 . 2]" 2
109 1 17 GLU H 1 17 GLU HG2 . . 4.040 2.989 2.140 3.864 . 0 0 "[ . 1 . 2]" 2
110 1 17 GLU H 1 17 GLU HG3 . . 4.040 3.150 2.211 3.982 . 0 0 "[ . 1 . 2]" 2
111 1 17 GLU H 1 17 GLU QB . . 2.800 2.348 2.175 2.477 . 0 0 "[ . 1 . 2]" 2
112 1 17 GLU H 1 35 HIS HD2 . . 5.280 5.169 5.038 5.281 0.001 14 0 "[ . 1 . 2]" 2
113 1 15 CYS HA 1 32 GLN HE21 . . 4.810 3.664 3.181 4.114 . 0 0 "[ . 1 . 2]" 2
114 1 15 CYS HA 1 32 GLN HE22 . . 5.250 4.953 4.351 5.252 0.002 19 0 "[ . 1 . 2]" 2
115 1 29 ILE HA 1 32 GLN HE21 . . 5.500 5.056 4.409 5.478 . 0 0 "[ . 1 . 2]" 2
116 1 29 ILE HA 1 32 GLN HE22 . . 5.500 5.145 4.639 5.451 . 0 0 "[ . 1 . 2]" 2
117 1 32 GLN HE21 1 32 GLN HG2 . . 3.440 2.502 2.124 2.939 . 0 0 "[ . 1 . 2]" 2
118 1 32 GLN HE22 1 32 GLN HG2 . . 4.010 3.595 3.439 3.790 . 0 0 "[ . 1 . 2]" 2
119 1 28 LEU HG 1 32 GLN HE22 . . 4.750 3.725 3.409 3.942 . 0 0 "[ . 1 . 2]" 2
120 1 28 LEU MD1 1 32 GLN HE22 . . 4.500 3.696 3.371 4.098 . 0 0 "[ . 1 . 2]" 2
121 1 28 LEU HG 1 32 GLN HE21 . . 4.490 2.882 2.008 3.777 . 0 0 "[ . 1 . 2]" 2
122 1 29 ILE H 1 32 GLN H . . 5.320 4.770 4.679 4.849 . 0 0 "[ . 1 . 2]" 2
123 1 29 ILE H 1 30 GLU H . . 3.200 2.741 2.653 2.820 . 0 0 "[ . 1 . 2]" 2
124 1 27 LEU HA 1 29 ILE H . . 4.470 4.376 4.295 4.474 0.004 12 0 "[ . 1 . 2]" 2
125 1 26 SER HA 1 29 ILE H . . 4.720 3.308 3.221 3.436 . 0 0 "[ . 1 . 2]" 2
126 1 28 LEU HB3 1 29 ILE H . . 3.140 2.824 2.760 2.889 . 0 0 "[ . 1 . 2]" 2
127 1 29 ILE H 1 29 ILE HB . . 2.810 2.548 2.502 2.595 . 0 0 "[ . 1 . 2]" 2
128 1 29 ILE H 1 29 ILE HG13 . . 3.020 2.082 1.970 2.189 . 0 0 "[ . 1 . 2]" 2
129 1 28 LEU HG 1 29 ILE H . . 3.960 3.504 3.447 3.581 . 0 0 "[ . 1 . 2]" 2
130 1 29 ILE H 1 29 ILE HG12 . . 3.320 3.304 3.233 3.323 0.003 19 0 "[ . 1 . 2]" 2
131 1 29 ILE H 1 29 ILE MG . . 3.780 3.763 3.759 3.765 . 0 0 "[ . 1 . 2]" 2
132 1 30 GLU H 1 31 HIS HB3 . . 4.520 4.468 4.367 4.510 . 0 0 "[ . 1 . 2]" 2
133 1 30 GLU H 1 31 HIS HB2 . . 5.390 5.222 5.140 5.292 . 0 0 "[ . 1 . 2]" 2
134 1 30 GLU H 1 32 GLN H . . 4.600 4.249 4.105 4.369 . 0 0 "[ . 1 . 2]" 2
135 1 30 GLU H 1 30 GLU HG2 . . 3.910 2.602 2.430 2.879 . 0 0 "[ . 1 . 2]" 2
136 1 30 GLU H 1 30 GLU QB . . 2.820 2.316 2.241 2.523 . 0 0 "[ . 1 . 2]" 2
137 1 29 ILE HB 1 30 GLU H . . 3.200 2.597 2.516 2.707 . 0 0 "[ . 1 . 2]" 2
138 1 29 ILE HG13 1 30 GLU H . . 4.410 4.222 4.168 4.284 . 0 0 "[ . 1 . 2]" 2
139 1 28 LEU HG 1 30 GLU H . . 5.500 5.349 5.246 5.431 . 0 0 "[ . 1 . 2]" 2
140 1 30 GLU H 1 33 ALA MB . . 5.500 5.147 5.006 5.319 . 0 0 "[ . 1 . 2]" 2
141 1 29 ILE HB 1 31 HIS H . . 4.950 4.886 4.825 4.945 . 0 0 "[ . 1 . 2]" 2
142 1 31 HIS H 1 32 GLN H . . 3.240 2.635 2.521 2.723 . 0 0 "[ . 1 . 2]" 2
143 1 29 ILE H 1 31 HIS H . . 4.420 4.020 3.936 4.075 . 0 0 "[ . 1 . 2]" 2
144 1 28 LEU H 1 31 HIS H . . 4.820 4.779 4.710 4.822 0.002 20 0 "[ . 1 . 2]" 2
145 1 31 HIS H 1 31 HIS HD2 . . 4.690 4.616 4.506 4.688 . 0 0 "[ . 1 . 2]" 2
146 1 29 ILE HA 1 31 HIS H . . 4.440 4.369 4.183 4.428 . 0 0 "[ . 1 . 2]" 2
147 1 31 HIS H 1 31 HIS HB3 . . 2.810 2.245 2.212 2.268 . 0 0 "[ . 1 . 2]" 2
148 1 31 HIS H 1 31 HIS HB2 . . 2.980 2.889 2.844 2.973 . 0 0 "[ . 1 . 2]" 2
149 1 30 GLU HG3 1 31 HIS H . . 5.200 5.085 4.263 5.204 0.004 14 0 "[ . 1 . 2]" 2
150 1 30 GLU HG2 1 31 HIS H . . 5.200 4.565 4.436 4.711 . 0 0 "[ . 1 . 2]" 2
151 1 28 LEU HG 1 31 HIS H . . 5.500 5.053 4.917 5.174 . 0 0 "[ . 1 . 2]" 2
152 1 31 HIS H 1 33 ALA MB . . 5.500 4.738 4.601 4.863 . 0 0 "[ . 1 . 2]" 2
153 1 28 LEU MD1 1 31 HIS H . . 4.720 4.305 4.071 4.477 . 0 0 "[ . 1 . 2]" 2
154 1 28 LEU HB2 1 31 HIS H . . 5.500 5.473 5.410 5.501 0.001 14 0 "[ . 1 . 2]" 2
155 1 15 CYS H 1 22 PHE H . . 4.860 4.714 4.597 4.837 . 0 0 "[ . 1 . 2]" 2
156 1 15 CYS H 1 16 GLN HA . . 5.500 5.218 5.075 5.311 . 0 0 "[ . 1 . 2]" 2
157 1 15 CYS H 1 19 GLY HA3 . . 5.500 5.464 5.348 5.504 0.004 13 0 "[ . 1 . 2]" 2
158 1 15 CYS H 1 18 CYS H . . 5.500 5.233 5.134 5.307 . 0 0 "[ . 1 . 2]" 2
159 1 15 CYS H 1 20 LYS H . . 4.370 2.682 2.557 2.868 . 0 0 "[ . 1 . 2]" 2
160 1 14 GLU HA 1 15 CYS H . . 2.760 2.223 2.181 2.265 . 0 0 "[ . 1 . 2]" 2
161 1 15 CYS H 1 21 ILE HA . . 3.860 3.518 3.407 3.600 . 0 0 "[ . 1 . 2]" 2
162 1 15 CYS H 1 15 CYS HB3 . . 3.100 2.673 2.627 2.711 . 0 0 "[ . 1 . 2]" 2
163 1 15 CYS H 1 20 LYS HB2 . . 4.780 4.506 4.376 4.621 . 0 0 "[ . 1 . 2]" 2
164 1 15 CYS H 1 20 LYS HB3 . . 4.940 3.594 3.475 3.755 . 0 0 "[ . 1 . 2]" 2
165 1 15 CYS H 1 21 ILE MD . . 4.900 4.743 4.542 4.887 . 0 0 "[ . 1 . 2]" 2
166 1 12 THR H 1 13 SER H . . 5.210 4.514 4.383 4.642 . 0 0 "[ . 1 . 2]" 2
167 1 12 THR HA 1 13 SER H . . 3.020 2.347 2.267 2.424 . 0 0 "[ . 1 . 2]" 2
168 1 13 SER H 1 13 SER HB2 . . 3.830 2.726 2.632 2.816 . 0 0 "[ . 1 . 2]" 2
169 1 13 SER H 1 22 PHE HB2 . . 5.070 4.531 4.274 4.698 . 0 0 "[ . 1 . 2]" 2
170 1 13 SER H 1 14 GLU HB2 . . 5.500 5.398 5.237 5.503 0.003 12 0 "[ . 1 . 2]" 2
171 1 12 THR MG 1 13 SER H . . 4.160 1.981 1.809 2.200 . 0 0 "[ . 1 . 2]" 2
172 1 13 SER H 1 21 ILE MG . . 4.580 4.108 3.900 4.253 . 0 0 "[ . 1 . 2]" 2
173 1 34 LEU H 1 35 HIS HB2 . . 5.160 4.846 4.750 5.066 . 0 0 "[ . 1 . 2]" 2
174 1 32 GLN H 1 34 LEU H . . 4.670 4.380 4.306 4.452 . 0 0 "[ . 1 . 2]" 2
175 1 34 LEU H 1 35 HIS H . . 3.230 2.766 2.699 2.824 . 0 0 "[ . 1 . 2]" 2
176 1 34 LEU H 1 34 LEU HG . . 3.280 2.901 2.813 3.033 . 0 0 "[ . 1 . 2]" 2
177 1 32 GLN H 1 33 ALA H . . 3.320 2.861 2.804 2.931 . 0 0 "[ . 1 . 2]" 2
178 1 31 HIS HD2 1 32 GLN H . . 4.140 3.002 2.799 3.325 . 0 0 "[ . 1 . 2]" 2
179 1 31 HIS HB3 1 32 GLN H . . 3.370 2.631 2.545 2.715 . 0 0 "[ . 1 . 2]" 2
180 1 32 GLN H 1 32 GLN HB2 . . 3.130 2.425 2.318 2.541 . 0 0 "[ . 1 . 2]" 2
181 1 28 LEU HG 1 32 GLN H . . 4.120 3.996 3.879 4.114 . 0 0 "[ . 1 . 2]" 2
182 1 28 LEU MD1 1 32 GLN H . . 4.030 3.193 2.967 3.429 . 0 0 "[ . 1 . 2]" 2
183 1 38 GLU H 1 39 SER H . . 5.360 3.697 2.217 4.582 . 0 0 "[ . 1 . 2]" 2
184 1 34 LEU H 1 34 LEU HB3 . . 3.030 2.203 2.176 2.230 . 0 0 "[ . 1 . 2]" 2
185 1 14 GLU H 1 14 GLU HG3 . . 4.740 4.627 4.584 4.688 . 0 0 "[ . 1 . 2]" 2
186 1 14 GLU HG2 1 15 CYS H . . 3.930 2.782 2.646 3.032 . 0 0 "[ . 1 . 2]" 2
187 1 16 GLN H 1 16 GLN HB3 . . 3.720 2.645 2.544 2.757 . 0 0 "[ . 1 . 2]" 2
188 1 16 GLN HB2 1 17 GLU H . . 4.100 4.036 3.937 4.100 0.000 10 0 "[ . 1 . 2]" 2
189 1 20 LYS HG2 1 21 ILE H . . 4.130 3.715 3.502 3.883 . 0 0 "[ . 1 . 2]" 2
190 1 32 GLN H 1 32 GLN HG3 . . 3.200 2.415 2.111 2.712 . 0 0 "[ . 1 . 2]" 2
191 1 26 SER H 1 27 LEU H . . 4.870 3.232 3.123 3.304 . 0 0 "[ . 1 . 2]" 2
192 1 14 GLU HG3 1 15 CYS H . . 4.200 2.675 2.457 3.054 . 0 0 "[ . 1 . 2]" 2
193 1 12 THR HB 1 13 SER H . . 3.740 3.422 3.152 3.570 . 0 0 "[ . 1 . 2]" 2
194 1 34 LEU H 1 34 LEU MD1 . . 4.180 4.060 3.979 4.160 . 0 0 "[ . 1 . 2]" 2
195 1 31 HIS HA 1 34 LEU MD1 . . 5.500 5.337 5.231 5.467 . 0 0 "[ . 1 . 2]" 2
196 1 12 THR HB 1 21 ILE HG12 . . 4.660 4.202 3.940 4.430 . 0 0 "[ . 1 . 2]" 2
197 1 34 LEU HB2 1 34 LEU MD1 . . 3.350 2.131 2.045 2.217 . 0 0 "[ . 1 . 2]" 2
198 1 12 THR HB 1 21 ILE MG . . 3.190 2.423 2.168 2.625 . 0 0 "[ . 1 . 2]" 2
199 1 16 GLN H 1 28 LEU MD1 . . 4.560 4.129 3.959 4.300 . 0 0 "[ . 1 . 2]" 2
200 1 15 CYS H 1 28 LEU MD1 . . 3.880 3.119 2.924 3.345 . 0 0 "[ . 1 . 2]" 2
201 1 17 GLU H 1 28 LEU MD1 . . 5.500 4.819 4.580 5.014 . 0 0 "[ . 1 . 2]" 2
202 1 22 PHE H 1 28 LEU MD1 . . 5.500 4.902 4.689 5.214 . 0 0 "[ . 1 . 2]" 2
203 1 28 LEU MD1 1 29 ILE H . . 4.860 4.404 4.297 4.492 . 0 0 "[ . 1 . 2]" 2
204 1 28 LEU MD1 1 32 GLN HE21 . . 3.900 2.364 1.953 3.274 . 0 0 "[ . 1 . 2]" 2
205 1 28 LEU MD1 1 31 HIS HD2 . . 3.110 2.350 2.165 2.512 . 0 0 "[ . 1 . 2]" 2
206 1 22 PHE HZ 1 28 LEU MD1 . . 5.040 3.931 3.625 4.249 . 0 0 "[ . 1 . 2]" 2
207 1 14 GLU HA 1 28 LEU MD1 . . 4.430 3.791 3.631 4.021 . 0 0 "[ . 1 . 2]" 2
208 1 15 CYS HA 1 28 LEU MD1 . . 3.110 2.339 2.118 2.558 . 0 0 "[ . 1 . 2]" 2
209 1 28 LEU MD1 1 32 GLN HA . . 3.880 3.843 3.671 3.880 0.000 2 0 "[ . 1 . 2]" 2
210 1 28 LEU HA 1 28 LEU MD1 . . 2.910 2.330 2.086 2.480 . 0 0 "[ . 1 . 2]" 2
211 1 28 LEU MD1 1 32 GLN HG2 . . 3.480 2.519 2.217 2.708 . 0 0 "[ . 1 . 2]" 2
212 1 28 LEU HB3 1 28 LEU MD1 . . 3.510 3.179 3.164 3.196 . 0 0 "[ . 1 . 2]" 2
213 1 15 CYS H 1 19 GLY HA2 . . 5.090 4.031 3.912 4.091 . 0 0 "[ . 1 . 2]" 2
214 1 18 CYS H 1 19 GLY HA3 . . 4.820 4.684 4.606 4.771 . 0 0 "[ . 1 . 2]" 2
215 1 18 CYS H 1 19 GLY HA2 . . 4.330 4.228 4.135 4.332 0.002 18 0 "[ . 1 . 2]" 2
216 1 22 PHE QD 1 27 LEU MD2 . . 3.780 3.146 2.985 3.499 . 0 0 "[ . 1 . 2]" 2
217 1 18 CYS HA 1 19 GLY HA3 . . 5.010 4.527 4.522 4.531 . 0 0 "[ . 1 . 2]" 2
218 1 18 CYS HA 1 19 GLY HA2 . . 5.360 5.132 5.118 5.146 . 0 0 "[ . 1 . 2]" 2
219 1 15 CYS HB3 1 19 GLY HA3 . . 5.120 4.945 4.837 5.048 . 0 0 "[ . 1 . 2]" 2
220 1 14 GLU HG3 1 19 GLY HA3 . . 4.590 4.388 4.224 4.505 . 0 0 "[ . 1 . 2]" 2
221 1 14 GLU HG2 1 19 GLY HA2 . . 4.020 2.999 2.717 3.161 . 0 0 "[ . 1 . 2]" 2
222 1 19 GLY HA3 1 20 LYS HB2 . . 5.450 5.154 5.116 5.192 . 0 0 "[ . 1 . 2]" 2
223 1 27 LEU MD2 1 30 GLU H . . 5.400 5.151 4.927 5.294 . 0 0 "[ . 1 . 2]" 2
224 1 22 PHE HB3 1 27 LEU MD2 . . 4.520 4.184 4.035 4.359 . 0 0 "[ . 1 . 2]" 2
225 1 27 LEU MD2 1 30 GLU HG3 . . 5.460 4.773 4.000 5.046 . 0 0 "[ . 1 . 2]" 2
226 1 27 LEU MD2 1 30 GLU HG2 . . 5.460 5.340 5.025 5.460 0.000 17 0 "[ . 1 . 2]" 2
227 1 27 LEU HB2 1 27 LEU MD2 . . 3.240 3.182 3.175 3.191 . 0 0 "[ . 1 . 2]" 2
228 1 12 THR HA 1 12 THR MG . . 3.070 2.144 2.036 2.308 . 0 0 "[ . 1 . 2]" 2
229 1 12 THR MG 1 23 ARG QD . . 4.800 4.246 3.623 4.563 . 0 0 "[ . 1 . 2]" 2
230 1 36 ALA MB 1 37 GLY HA2 . . 4.840 4.082 3.649 4.478 . 0 0 "[ . 1 . 2]" 2
231 1 36 ALA MB 1 37 GLY HA3 . . 4.840 4.369 3.729 4.838 . 0 0 "[ . 1 . 2]" 2
232 1 24 HIS HE1 1 27 LEU H . . 5.100 3.395 3.208 3.770 . 0 0 "[ . 1 . 2]" 2
233 1 40 GLY HA3 1 41 PRO QD . . 3.500 2.515 1.956 3.398 . 0 0 "[ . 1 . 2]" 2
234 1 21 ILE MG 1 22 PHE HB2 . . 5.120 4.478 4.417 4.586 . 0 0 "[ . 1 . 2]" 2
235 1 21 ILE HA 1 22 PHE HB2 . . 4.600 4.478 4.428 4.530 . 0 0 "[ . 1 . 2]" 2
236 1 22 PHE HB3 1 23 ARG HA . . 5.300 5.105 5.030 5.184 . 0 0 "[ . 1 . 2]" 2
237 1 13 SER HB3 1 22 PHE HB3 . . 5.240 5.014 4.754 5.220 . 0 0 "[ . 1 . 2]" 2
238 1 22 PHE HB2 1 27 LEU HB2 . . 4.040 3.621 3.398 3.767 . 0 0 "[ . 1 . 2]" 2
239 1 22 PHE HB2 1 28 LEU HB3 . . 4.310 3.388 3.290 3.591 . 0 0 "[ . 1 . 2]" 2
240 1 22 PHE HB3 1 27 LEU HB2 . . 3.400 2.150 2.008 2.278 . 0 0 "[ . 1 . 2]" 2
241 1 22 PHE HB3 1 27 LEU HB3 . . 3.700 2.392 2.175 2.535 . 0 0 "[ . 1 . 2]" 2
242 1 22 PHE HB2 1 27 LEU HB3 . . 4.290 3.960 3.672 4.136 . 0 0 "[ . 1 . 2]" 2
243 1 22 PHE HB2 1 28 LEU HB2 . . 3.650 2.301 2.200 2.484 . 0 0 "[ . 1 . 2]" 2
244 1 22 PHE HB2 1 28 LEU MD1 . . 4.500 3.897 3.733 4.161 . 0 0 "[ . 1 . 2]" 2
245 1 22 PHE HB2 1 28 LEU MD2 . . 4.780 3.860 3.702 4.068 . 0 0 "[ . 1 . 2]" 2
246 1 23 ARG QD 1 24 HIS H . . 4.930 4.665 4.445 4.805 . 0 0 "[ . 1 . 2]" 2
247 1 23 ARG QB 1 23 ARG QD . . 3.080 2.282 2.069 2.640 . 0 0 "[ . 1 . 2]" 2
248 1 23 ARG QD 1 27 LEU MD1 . . 4.640 4.411 4.131 4.644 0.004 14 0 "[ . 1 . 2]" 2
249 1 21 ILE MG 1 23 ARG QD . . 5.030 4.889 4.706 5.030 . 0 0 "[ . 1 . 2]" 2
250 1 7 GLY QA 1 8 ALA MB . . 4.910 3.860 3.390 4.194 . 0 0 "[ . 1 . 2]" 2
251 1 36 ALA H 1 36 ALA MB . . 3.220 2.193 2.025 2.758 . 0 0 "[ . 1 . 2]" 2
252 1 35 HIS H 1 36 ALA MB . . 4.660 4.325 4.051 4.481 . 0 0 "[ . 1 . 2]" 2
253 1 9 ALA MB 1 10 LYS HA . . 4.970 4.240 3.668 4.999 0.029 16 0 "[ . 1 . 2]" 2
254 1 20 LYS HB3 1 20 LYS HE2 . . 5.100 4.428 3.865 4.923 . 0 0 "[ . 1 . 2]" 2
255 1 20 LYS HE2 1 22 PHE QE . . 5.440 3.741 2.792 4.551 . 0 0 "[ . 1 . 2]" 2
256 1 20 LYS HE3 1 22 PHE QE . . 5.440 3.856 2.720 4.830 . 0 0 "[ . 1 . 2]" 2
257 1 20 LYS HE2 1 22 PHE HZ . . 5.220 3.736 2.905 4.608 . 0 0 "[ . 1 . 2]" 2
258 1 20 LYS HB3 1 20 LYS HE3 . . 5.100 4.422 3.891 4.987 . 0 0 "[ . 1 . 2]" 2
259 1 22 PHE QD 1 27 LEU HB3 . . 3.220 2.013 1.995 2.054 . 0 0 "[ . 1 . 2]" 2
260 1 22 PHE QE 1 27 LEU HB2 . . 5.300 5.284 5.232 5.300 . 0 0 "[ . 1 . 2]" 2
261 1 27 LEU HB3 1 27 LEU MD2 . . 3.360 2.289 2.197 2.345 . 0 0 "[ . 1 . 2]" 2
262 1 32 GLN H 1 33 ALA MB . . 4.550 4.407 4.330 4.496 . 0 0 "[ . 1 . 2]" 2
263 1 33 ALA MB 1 34 LEU H . . 3.410 2.652 2.552 2.767 . 0 0 "[ . 1 . 2]" 2
264 1 33 ALA H 1 33 ALA MB . . 2.730 2.132 2.036 2.248 . 0 0 "[ . 1 . 2]" 2
265 1 30 GLU HA 1 33 ALA MB . . 3.450 3.036 2.817 3.237 . 0 0 "[ . 1 . 2]" 2
266 1 32 GLN HA 1 33 ALA MB . . 5.070 4.981 4.964 4.991 . 0 0 "[ . 1 . 2]" 2
267 1 13 SER HB3 1 14 GLU H . . 4.570 4.305 3.926 4.414 . 0 0 "[ . 1 . 2]" 2
268 1 13 SER HB2 1 14 GLU H . . 4.380 4.384 4.373 4.403 0.023 18 0 "[ . 1 . 2]" 2
269 1 13 SER HB2 1 22 PHE QD . . 4.190 3.928 3.753 4.082 . 0 0 "[ . 1 . 2]" 2
270 1 12 THR HA 1 13 SER HB2 . . 5.500 5.059 4.910 5.176 . 0 0 "[ . 1 . 2]" 2
271 1 13 SER HB2 1 21 ILE HA . . 5.500 5.347 5.206 5.491 . 0 0 "[ . 1 . 2]" 2
272 1 13 SER HB2 1 25 SER HA . . 4.310 2.821 2.535 3.294 . 0 0 "[ . 1 . 2]" 2
273 1 13 SER HB2 1 22 PHE HB3 . . 4.330 3.690 3.416 3.970 . 0 0 "[ . 1 . 2]" 2
274 1 13 SER HB2 1 22 PHE HB2 . . 3.710 2.409 2.164 2.639 . 0 0 "[ . 1 . 2]" 2
275 1 13 SER HB3 1 22 PHE HB2 . . 4.050 3.671 3.479 3.828 . 0 0 "[ . 1 . 2]" 2
276 1 13 SER HB3 1 28 LEU HB3 . . 3.940 2.775 2.535 2.938 . 0 0 "[ . 1 . 2]" 2
277 1 13 SER HB2 1 28 LEU HB3 . . 4.270 3.313 3.110 3.442 . 0 0 "[ . 1 . 2]" 2
278 1 13 SER HB2 1 28 LEU HG . . 5.500 5.403 5.239 5.501 0.001 14 0 "[ . 1 . 2]" 2
279 1 13 SER HB3 1 28 LEU HG . . 4.560 4.443 4.241 4.560 . 3 0 "[ . 1 . 2]" 2
280 1 13 SER HB3 1 28 LEU HB2 . . 3.580 3.244 3.034 3.431 . 0 0 "[ . 1 . 2]" 2
281 1 13 SER HB2 1 28 LEU HB2 . . 3.810 3.168 3.012 3.298 . 0 0 "[ . 1 . 2]" 2
282 1 13 SER HB3 1 28 LEU MD2 . . 3.120 2.098 1.971 2.270 . 0 0 "[ . 1 . 2]" 2
283 1 13 SER HB2 1 28 LEU MD2 . . 3.530 3.207 2.901 3.359 . 0 0 "[ . 1 . 2]" 2
284 1 15 CYS H 1 21 ILE MG . . 5.500 5.330 5.217 5.419 . 0 0 "[ . 1 . 2]" 2
285 1 29 ILE HA 1 32 GLN H . . 4.070 3.753 3.652 3.822 . 0 0 "[ . 1 . 2]" 2
286 1 21 ILE H 1 21 ILE MG . . 3.890 3.768 3.756 3.776 . 0 0 "[ . 1 . 2]" 2
287 1 29 ILE HA 1 33 ALA H . . 4.990 4.610 4.470 4.777 . 0 0 "[ . 1 . 2]" 2
288 1 28 LEU H 1 29 ILE HA . . 5.230 5.183 5.128 5.227 . 0 0 "[ . 1 . 2]" 2
289 1 14 GLU HA 1 21 ILE MG . . 3.840 3.702 3.570 3.828 . 0 0 "[ . 1 . 2]" 2
290 1 21 ILE HA 1 21 ILE MG . . 2.960 2.414 2.337 2.474 . 0 0 "[ . 1 . 2]" 2
291 1 7 GLY QA 1 21 ILE MG . . 4.590 3.625 2.123 4.590 . 0 0 "[ . 1 . 2]" 2
292 1 13 SER HB2 1 21 ILE MG . . 4.940 4.884 4.774 4.944 0.004 13 0 "[ . 1 . 2]" 2
293 1 28 LEU HA 1 29 ILE HA . . 4.860 4.834 4.805 4.860 0.000 4 0 "[ . 1 . 2]" 2
294 1 29 ILE HA 1 32 GLN HG3 . . 3.780 3.472 3.249 3.721 . 0 0 "[ . 1 . 2]" 2
295 1 29 ILE HA 1 32 GLN HB2 . . 3.410 3.057 2.844 3.232 . 0 0 "[ . 1 . 2]" 2
296 1 29 ILE HA 1 32 GLN HB3 . . 4.900 4.626 4.417 4.772 . 0 0 "[ . 1 . 2]" 2
297 1 28 LEU HB3 1 29 ILE HA . . 4.630 4.511 4.483 4.574 . 0 0 "[ . 1 . 2]" 2
298 1 14 GLU HG3 1 21 ILE MG . . 4.700 4.520 4.404 4.648 . 0 0 "[ . 1 . 2]" 2
299 1 14 GLU HB2 1 21 ILE MG . . 3.770 3.061 2.880 3.154 . 0 0 "[ . 1 . 2]" 2
300 1 29 ILE HA 1 29 ILE HG13 . . 3.230 3.031 2.980 3.104 . 0 0 "[ . 1 . 2]" 2
301 1 28 LEU HG 1 29 ILE HA . . 3.840 3.358 3.286 3.405 . 0 0 "[ . 1 . 2]" 2
302 1 29 ILE HA 1 29 ILE HG12 . . 3.090 2.502 2.426 2.616 . 0 0 "[ . 1 . 2]" 2
303 1 21 ILE HG13 1 21 ILE MG . . 3.320 2.609 2.515 2.692 . 0 0 "[ . 1 . 2]" 2
304 1 29 ILE HA 1 29 ILE MG . . 2.910 2.374 2.293 2.472 . 0 0 "[ . 1 . 2]" 2
305 1 34 LEU H 1 34 LEU HB2 . . 3.640 3.506 3.489 3.520 . 0 0 "[ . 1 . 2]" 2
306 1 31 HIS HA 1 34 LEU HB2 . . 5.140 5.111 5.020 5.141 0.001 13 0 "[ . 1 . 2]" 2
307 1 29 ILE MG 1 30 GLU H . . 3.660 3.414 3.310 3.561 . 0 0 "[ . 1 . 2]" 2
308 1 29 ILE MG 1 30 GLU HA . . 3.730 3.430 3.304 3.615 . 0 0 "[ . 1 . 2]" 2
309 1 29 ILE MG 1 30 GLU QB . . 4.720 4.583 4.480 4.707 . 0 0 "[ . 1 . 2]" 2
310 1 29 ILE HG13 1 29 ILE MG . . 3.220 3.198 3.184 3.203 . 0 0 "[ . 1 . 2]" 2
311 1 29 ILE HG12 1 29 ILE MG . . 3.020 2.414 2.335 2.475 . 0 0 "[ . 1 . 2]" 2
312 1 28 LEU HB2 1 29 ILE H . . 4.310 4.093 4.053 4.130 . 0 0 "[ . 1 . 2]" 2
313 1 22 PHE QD 1 28 LEU HB2 . . 3.290 2.143 2.000 2.328 . 0 0 "[ . 1 . 2]" 2
314 1 28 LEU HB2 1 28 LEU MD1 . . 3.340 2.259 2.150 2.384 . 0 0 "[ . 1 . 2]" 2
315 1 21 ILE HB 1 22 PHE H . . 4.150 4.035 3.962 4.148 . 0 0 "[ . 1 . 2]" 2
316 1 14 GLU HA 1 21 ILE HB . . 5.080 5.022 4.994 5.080 . 0 0 "[ . 1 . 2]" 2
317 1 12 THR HB 1 21 ILE HB . . 5.500 5.399 5.156 5.500 0.000 12 0 "[ . 1 . 2]" 2
318 1 7 GLY QA 1 21 ILE HB . . 5.050 4.389 3.141 5.050 . 0 0 "[ . 1 . 2]" 2
319 1 20 LYS HA 1 21 ILE HB . . 5.400 4.615 4.568 4.664 . 0 0 "[ . 1 . 2]" 2
320 1 14 GLU HB2 1 21 ILE HB . . 4.870 4.621 4.459 4.777 . 0 0 "[ . 1 . 2]" 2
321 1 12 THR MG 1 21 ILE HB . . 4.800 4.470 4.233 4.800 . 0 0 "[ . 1 . 2]" 2
322 1 25 SER HB2 1 29 ILE MD . . 4.580 3.175 2.708 3.828 . 0 0 "[ . 1 . 2]" 2
323 1 26 SER HA 1 29 ILE HB . . 4.300 2.538 2.456 2.620 . 0 0 "[ . 1 . 2]" 2
324 1 25 SER HA 1 29 ILE H . . 4.340 4.166 4.035 4.306 . 0 0 "[ . 1 . 2]" 2
325 1 22 PHE HB3 1 25 SER HA . . 4.970 4.959 4.897 4.990 0.020 14 0 "[ . 1 . 2]" 2
326 1 22 PHE HB2 1 25 SER HA . . 5.130 4.301 4.152 4.581 . 0 0 "[ . 1 . 2]" 2
327 1 25 SER HA 1 28 LEU HB3 . . 3.260 2.665 2.612 2.716 . 0 0 "[ . 1 . 2]" 2
328 1 25 SER HA 1 28 LEU HB2 . . 4.120 3.938 3.847 4.070 . 0 0 "[ . 1 . 2]" 2
329 1 25 SER HA 1 28 LEU MD2 . . 3.830 3.195 3.050 3.437 . 0 0 "[ . 1 . 2]" 2
330 1 15 CYS H 1 22 PHE QD . . 4.350 3.335 3.114 3.513 . 0 0 "[ . 1 . 2]" 2
331 1 22 PHE H 1 22 PHE QD . . 3.190 3.093 2.949 3.198 0.008 14 0 "[ . 1 . 2]" 2
332 1 14 GLU HA 1 22 PHE QD . . 4.070 3.008 2.714 3.358 . 0 0 "[ . 1 . 2]" 2
333 1 21 ILE HA 1 22 PHE QD . . 3.770 3.663 3.540 3.752 . 0 0 "[ . 1 . 2]" 2
334 1 22 PHE QD 1 27 LEU HA . . 4.540 4.417 4.357 4.464 . 0 0 "[ . 1 . 2]" 2
335 1 13 SER HB3 1 22 PHE QD . . 4.610 4.530 4.379 4.609 . 0 0 "[ . 1 . 2]" 2
336 1 15 CYS HB3 1 22 PHE QD . . 4.940 4.911 4.805 4.940 . 13 0 "[ . 1 . 2]" 2
337 1 15 CYS HB2 1 22 PHE QD . . 4.060 3.570 3.480 3.691 . 0 0 "[ . 1 . 2]" 2
338 1 22 PHE QD 1 27 LEU HB2 . . 3.390 3.331 3.255 3.360 . 0 0 "[ . 1 . 2]" 2
339 1 22 PHE QD 1 28 LEU HG . . 4.820 4.566 4.404 4.757 . 0 0 "[ . 1 . 2]" 2
340 1 11 THR HA 1 11 THR MG . . 3.220 2.695 2.149 3.205 . 0 0 "[ . 1 . 2]" 2
341 1 22 PHE QD 1 28 LEU MD1 . . 3.100 2.313 2.038 2.656 . 0 0 "[ . 1 . 2]" 2
342 1 21 ILE MG 1 22 PHE QD . . 4.750 4.617 4.523 4.698 . 0 0 "[ . 1 . 2]" 2
343 1 12 THR HA 1 21 ILE MG . . 4.810 4.593 4.487 4.717 . 0 0 "[ . 1 . 2]" 2
344 1 28 LEU H 1 29 ILE HB . . 4.980 4.826 4.771 4.884 . 0 0 "[ . 1 . 2]" 2
345 1 15 CYS H 1 22 PHE QE . . 4.180 3.251 2.960 3.460 . 0 0 "[ . 1 . 2]" 2
346 1 21 ILE MD 1 22 PHE H . . 5.080 4.909 4.840 4.966 . 0 0 "[ . 1 . 2]" 2
347 1 22 PHE QE 1 31 HIS HE1 . . 4.860 4.599 4.487 4.787 . 0 0 "[ . 1 . 2]" 2
348 1 20 LYS H 1 22 PHE QE . . 4.820 3.926 3.753 4.095 . 0 0 "[ . 1 . 2]" 2
349 1 22 PHE QE 1 31 HIS H . . 5.160 4.800 4.689 4.941 . 0 0 "[ . 1 . 2]" 2
350 1 22 PHE QE 1 31 HIS HD2 . . 3.460 3.142 2.941 3.324 . 0 0 "[ . 1 . 2]" 2
351 1 14 GLU HA 1 21 ILE HA . . 3.200 2.015 1.999 2.067 . 0 0 "[ . 1 . 2]" 2
352 1 14 GLU HA 1 21 ILE MD . . 4.750 4.435 4.212 4.570 . 0 0 "[ . 1 . 2]" 2
353 1 14 GLU HA 1 22 PHE QE . . 4.930 4.339 4.024 4.661 . 0 0 "[ . 1 . 2]" 2
354 1 15 CYS HA 1 22 PHE QE . . 4.920 4.397 4.226 4.562 . 0 0 "[ . 1 . 2]" 2
355 1 21 ILE HA 1 22 PHE QE . . 4.960 4.895 4.740 4.963 0.003 14 0 "[ . 1 . 2]" 2
356 1 21 ILE HA 1 21 ILE MD . . 3.570 3.279 3.164 3.355 . 0 0 "[ . 1 . 2]" 2
357 1 22 PHE QE 1 27 LEU HA . . 5.500 5.346 5.253 5.422 . 0 0 "[ . 1 . 2]" 2
358 1 22 PHE QE 1 31 HIS HA . . 5.500 4.928 4.832 5.007 . 0 0 "[ . 1 . 2]" 2
359 1 19 GLY HA3 1 21 ILE MD . . 4.740 4.571 4.417 4.717 . 0 0 "[ . 1 . 2]" 2
360 1 12 THR HB 1 21 ILE HA . . 4.920 4.351 4.108 4.710 . 0 0 "[ . 1 . 2]" 2
361 1 20 LYS HA 1 22 PHE QE . . 5.050 4.771 4.623 4.877 . 0 0 "[ . 1 . 2]" 2
362 1 20 LYS HA 1 21 ILE HA . . 4.720 4.396 4.381 4.415 . 0 0 "[ . 1 . 2]" 2
363 1 7 GLY QA 1 21 ILE MD . . 4.640 2.819 2.077 3.966 . 0 0 "[ . 1 . 2]" 2
364 1 15 CYS HB3 1 22 PHE QE . . 3.810 3.340 3.191 3.460 . 0 0 "[ . 1 . 2]" 2
365 1 22 PHE QE 1 31 HIS HB3 . . 3.780 3.323 3.228 3.443 . 0 0 "[ . 1 . 2]" 2
366 1 15 CYS HB2 1 22 PHE QE . . 3.210 2.098 1.999 2.294 . 0 0 "[ . 1 . 2]" 2
367 1 22 PHE QE 1 28 LEU HB3 . . 5.500 5.210 5.128 5.294 . 0 0 "[ . 1 . 2]" 2
368 1 14 GLU HG3 1 21 ILE MD . . 3.740 2.913 2.597 3.104 . 0 0 "[ . 1 . 2]" 2
369 1 14 GLU HG3 1 21 ILE HA . . 4.780 3.091 2.932 3.379 . 0 0 "[ . 1 . 2]" 2
370 1 14 GLU HB2 1 21 ILE HA . . 4.400 2.495 2.259 2.793 . 0 0 "[ . 1 . 2]" 2
371 1 14 GLU HB2 1 21 ILE MD . . 3.620 3.605 3.454 3.622 0.002 16 0 "[ . 1 . 2]" 2
372 1 22 PHE QE 1 27 LEU HB3 . . 4.360 3.797 3.761 3.854 . 0 0 "[ . 1 . 2]" 2
373 1 21 ILE HB 1 21 ILE MD . . 2.800 2.148 2.091 2.231 . 0 0 "[ . 1 . 2]" 2
374 1 20 LYS HB3 1 22 PHE QE . . 3.520 2.176 2.051 2.341 . 0 0 "[ . 1 . 2]" 2
375 1 12 THR MG 1 21 ILE HA . . 5.000 3.882 3.577 4.283 . 0 0 "[ . 1 . 2]" 2
376 1 21 ILE HA 1 21 ILE HG13 . . 3.730 2.347 2.292 2.411 . 0 0 "[ . 1 . 2]" 2
377 1 22 PHE QE 1 28 LEU MD1 . . 3.350 2.281 2.081 2.609 . 0 0 "[ . 1 . 2]" 2
378 1 30 GLU H 1 30 GLU HG3 . . 3.910 3.722 2.396 3.910 0.000 14 0 "[ . 1 . 2]" 2
379 1 27 LEU HA 1 30 GLU HG3 . . 4.760 4.311 2.934 4.639 . 0 0 "[ . 1 . 2]" 2
380 1 27 LEU HA 1 30 GLU HG2 . . 4.760 4.354 4.014 4.676 . 0 0 "[ . 1 . 2]" 2
381 1 30 GLU HA 1 30 GLU HG3 . . 3.880 3.682 3.510 3.764 . 0 0 "[ . 1 . 2]" 2
382 1 29 ILE H 1 29 ILE MD . . 3.750 3.595 3.436 3.700 . 0 0 "[ . 1 . 2]" 2
383 1 29 ILE MD 1 30 GLU H . . 4.660 4.586 4.494 4.660 . 20 0 "[ . 1 . 2]" 2
384 1 26 SER HA 1 29 ILE MD . . 3.910 2.075 1.951 2.260 . 0 0 "[ . 1 . 2]" 2
385 1 29 ILE HA 1 29 ILE MD . . 3.920 3.811 3.761 3.869 . 0 0 "[ . 1 . 2]" 2
386 1 28 LEU HB3 1 29 ILE MD . . 5.230 5.046 4.824 5.170 . 0 0 "[ . 1 . 2]" 2
387 1 29 ILE HB 1 29 ILE MD . . 3.090 2.389 2.311 2.521 . 0 0 "[ . 1 . 2]" 2
388 1 14 GLU HA 1 14 GLU HG3 . . 3.940 2.793 2.752 2.855 . 0 0 "[ . 1 . 2]" 2
389 1 30 GLU HA 1 32 GLN H . . 4.720 4.641 4.498 4.715 . 0 0 "[ . 1 . 2]" 2
390 1 14 GLU H 1 14 GLU HG2 . . 4.650 4.198 4.142 4.272 . 0 0 "[ . 1 . 2]" 2
391 1 17 GLU HG2 1 18 CYS H . . 5.080 4.653 4.151 5.080 . 0 0 "[ . 1 . 2]" 2
392 1 29 ILE H 1 30 GLU HA . . 5.500 5.342 5.273 5.401 . 0 0 "[ . 1 . 2]" 2
393 1 32 GLN HA 1 34 LEU H . . 4.170 4.041 3.862 4.170 . 0 0 "[ . 1 . 2]" 2
394 1 32 GLN HA 1 32 GLN HE21 . . 5.060 4.829 4.642 5.030 . 0 0 "[ . 1 . 2]" 2
395 1 32 GLN HA 1 35 HIS H . . 3.950 3.361 3.282 3.469 . 0 0 "[ . 1 . 2]" 2
396 1 31 HIS HD2 1 32 GLN HA . . 3.710 2.856 2.669 3.052 . 0 0 "[ . 1 . 2]" 2
397 1 32 GLN HA 1 35 HIS HD2 . . 3.250 2.244 2.082 2.437 . 0 0 "[ . 1 . 2]" 2
398 1 14 GLU HA 1 14 GLU HG2 . . 3.980 3.239 3.088 3.312 . 0 0 "[ . 1 . 2]" 2
399 1 14 GLU HG2 1 21 ILE HA . . 4.930 4.360 4.237 4.636 . 0 0 "[ . 1 . 2]" 2
400 1 31 HIS HA 1 32 GLN HA . . 5.420 4.870 4.840 4.889 . 0 0 "[ . 1 . 2]" 2
401 1 32 GLN HA 1 33 ALA HA . . 5.500 4.914 4.871 4.936 . 0 0 "[ . 1 . 2]" 2
402 1 32 GLN HA 1 35 HIS HB3 . . 5.110 4.911 4.818 5.104 . 0 0 "[ . 1 . 2]" 2
403 1 32 GLN HA 1 35 HIS HB2 . . 3.920 3.323 3.212 3.511 . 0 0 "[ . 1 . 2]" 2
404 1 32 GLN HA 1 32 GLN HG2 . . 3.190 2.368 2.213 2.592 . 0 0 "[ . 1 . 2]" 2
405 1 30 GLU HA 1 30 GLU HG2 . . 3.880 2.875 2.486 3.120 . 0 0 "[ . 1 . 2]" 2
406 1 30 GLU HA 1 30 GLU QB . . 2.750 2.419 2.327 2.453 . 0 0 "[ . 1 . 2]" 2
407 1 29 ILE HB 1 30 GLU HA . . 4.660 4.305 4.274 4.339 . 0 0 "[ . 1 . 2]" 2
408 1 17 GLU QB 1 32 GLN HA . . 5.210 4.940 4.690 5.151 . 0 0 "[ . 1 . 2]" 2
409 1 14 GLU HG2 1 21 ILE HG13 . . 4.560 4.116 3.956 4.230 . 0 0 "[ . 1 . 2]" 2
410 1 14 GLU HG2 1 21 ILE MD . . 4.630 4.387 4.175 4.553 . 0 0 "[ . 1 . 2]" 2
411 1 31 HIS HA 1 34 LEU H . . 4.090 3.626 3.521 3.692 . 0 0 "[ . 1 . 2]" 2
412 1 31 HIS HA 1 33 ALA H . . 4.680 4.284 4.006 4.415 . 0 0 "[ . 1 . 2]" 2
413 1 31 HIS HA 1 31 HIS HD2 . . 4.750 4.498 4.406 4.571 . 0 0 "[ . 1 . 2]" 2
414 1 22 PHE HZ 1 31 HIS HA . . 5.030 4.664 4.487 4.805 . 0 0 "[ . 1 . 2]" 2
415 1 31 HIS HA 1 31 HIS HB2 . . 2.880 2.326 2.309 2.340 . 0 0 "[ . 1 . 2]" 2
416 1 30 GLU QB 1 31 HIS HA . . 4.310 3.914 3.889 3.973 . 0 0 "[ . 1 . 2]" 2
417 1 31 HIS HA 1 34 LEU HG . . 4.620 4.456 4.257 4.621 0.001 12 0 "[ . 1 . 2]" 2
418 1 31 HIS HA 1 34 LEU MD2 . . 3.680 2.846 2.596 3.115 . 0 0 "[ . 1 . 2]" 2
419 1 32 GLN H 1 32 GLN HG2 . . 3.660 3.357 3.044 3.546 . 0 0 "[ . 1 . 2]" 2
420 1 31 HIS HD2 1 32 GLN HG3 . . 4.050 3.188 2.742 3.680 . 0 0 "[ . 1 . 2]" 2
421 1 32 GLN HG3 1 35 HIS HD2 . . 5.010 4.635 4.316 4.851 . 0 0 "[ . 1 . 2]" 2
422 1 17 GLU HA 1 18 CYS HA . . 4.950 4.553 4.542 4.563 . 0 0 "[ . 1 . 2]" 2
423 1 32 GLN HA 1 32 GLN HG3 . . 3.380 3.103 2.888 3.326 . 0 0 "[ . 1 . 2]" 2
424 1 28 LEU HG 1 32 GLN HG2 . . 3.990 3.756 3.567 3.921 . 0 0 "[ . 1 . 2]" 2
425 1 28 LEU MD1 1 32 GLN HG3 . . 3.710 2.009 1.926 2.147 . 0 0 "[ . 1 . 2]" 2
426 1 17 GLU HA 1 17 GLU HG2 . . 3.890 2.737 2.214 3.054 . 0 0 "[ . 1 . 2]" 2
427 1 17 GLU HA 1 19 GLY H . . 5.370 5.249 5.185 5.345 . 0 0 "[ . 1 . 2]" 2
428 1 16 GLN QG 1 17 GLU HA . . 4.960 3.829 3.491 4.242 . 0 0 "[ . 1 . 2]" 2
429 1 20 LYS HA 1 21 ILE H . . 2.600 2.142 2.139 2.149 . 0 0 "[ . 1 . 2]" 2
430 1 22 PHE HZ 1 31 HIS HD2 . . 4.350 3.764 3.466 4.038 . 0 0 "[ . 1 . 2]" 2
431 1 22 PHE HZ 1 31 HIS HB3 . . 4.120 3.072 2.933 3.225 . 0 0 "[ . 1 . 2]" 2
432 1 22 PHE HZ 1 31 HIS HB2 . . 3.660 2.607 2.409 2.746 . 0 0 "[ . 1 . 2]" 2
433 1 20 LYS HA 1 20 LYS HD2 . . 4.510 3.988 3.927 4.041 . 0 0 "[ . 1 . 2]" 2
434 1 20 LYS HB3 1 22 PHE HZ . . 3.950 2.708 2.501 2.807 . 0 0 "[ . 1 . 2]" 2
435 1 20 LYS HA 1 20 LYS HG3 . . 3.430 2.202 2.179 2.250 . 0 0 "[ . 1 . 2]" 2
436 1 20 LYS HA 1 21 ILE MD . . 4.200 3.036 2.850 3.221 . 0 0 "[ . 1 . 2]" 2
437 1 16 GLN HA 1 19 GLY H . . 4.330 4.243 4.158 4.334 0.004 13 0 "[ . 1 . 2]" 2
438 1 16 GLN HA 1 18 CYS H . . 4.780 4.505 4.282 4.751 . 0 0 "[ . 1 . 2]" 2
439 1 16 GLN HA 1 16 GLN HB2 . . 2.970 2.490 2.447 2.534 . 0 0 "[ . 1 . 2]" 2
440 1 14 GLU HG2 1 16 GLN HA . . 4.210 3.591 3.209 3.748 . 0 0 "[ . 1 . 2]" 2
441 1 16 GLN HA 1 17 GLU QB . . 5.350 5.301 5.220 5.352 0.002 5 0 "[ . 1 . 2]" 2
442 1 28 LEU HA 1 32 GLN H . . 4.440 3.785 3.709 3.868 . 0 0 "[ . 1 . 2]" 2
443 1 15 CYS HA 1 16 GLN QG . . 4.780 3.722 3.591 4.098 . 0 0 "[ . 1 . 2]" 2
444 1 16 GLN HA 1 16 GLN QG . . 3.460 3.380 3.325 3.437 . 0 0 "[ . 1 . 2]" 2
445 1 14 GLU HG2 1 16 GLN QG . . 5.500 5.452 5.365 5.502 0.002 17 0 "[ . 1 . 2]" 2
446 1 27 LEU HB3 1 28 LEU HA . . 4.920 4.057 4.001 4.137 . 0 0 "[ . 1 . 2]" 2
447 1 20 LYS HB2 1 31 HIS HE1 . . 4.720 3.647 3.264 3.949 . 0 0 "[ . 1 . 2]" 2
448 1 28 LEU HA 1 31 HIS H . . 3.730 3.238 3.196 3.274 . 0 0 "[ . 1 . 2]" 2
449 1 20 LYS HB3 1 22 PHE QD . . 5.020 3.877 3.755 3.950 . 0 0 "[ . 1 . 2]" 2
450 1 22 PHE QD 1 28 LEU HA . . 3.690 3.135 3.007 3.282 . 0 0 "[ . 1 . 2]" 2
451 1 22 PHE QE 1 28 LEU HA . . 4.220 3.327 3.218 3.429 . 0 0 "[ . 1 . 2]" 2
452 1 20 LYS HB2 1 22 PHE QE . . 3.940 3.713 3.557 3.811 . 0 0 "[ . 1 . 2]" 2
453 1 20 LYS HB2 1 22 PHE HZ . . 4.440 3.869 3.661 4.011 . 0 0 "[ . 1 . 2]" 2
454 1 27 LEU HA 1 28 LEU HA . . 4.920 4.750 4.734 4.770 . 0 0 "[ . 1 . 2]" 2
455 1 25 SER HA 1 28 LEU HA . . 5.500 5.469 5.436 5.498 . 0 0 "[ . 1 . 2]" 2
456 1 28 LEU HA 1 31 HIS HB2 . . 3.900 3.611 3.460 3.811 . 0 0 "[ . 1 . 2]" 2
457 1 22 PHE HB2 1 28 LEU HA . . 4.580 3.778 3.700 3.941 . 0 0 "[ . 1 . 2]" 2
458 1 28 LEU HA 1 28 LEU HG . . 3.710 3.297 3.232 3.362 . 0 0 "[ . 1 . 2]" 2
459 1 23 ARG HA 1 23 ARG QD . . 3.750 2.246 2.019 2.544 . 0 0 "[ . 1 . 2]" 2
460 1 23 ARG HA 1 23 ARG QG . . 3.220 2.628 2.468 2.870 . 0 0 "[ . 1 . 2]" 2
461 1 12 THR MG 1 23 ARG HA . . 3.620 3.200 2.752 3.446 . 0 0 "[ . 1 . 2]" 2
462 1 21 ILE MG 1 23 ARG HA . . 4.680 4.104 4.019 4.184 . 0 0 "[ . 1 . 2]" 2
463 1 15 CYS H 1 31 HIS HD2 . . 5.450 5.370 5.232 5.446 . 0 0 "[ . 1 . 2]" 2
464 1 31 HIS HD2 1 32 GLN HE21 . . 5.350 4.732 4.312 5.043 . 0 0 "[ . 1 . 2]" 2
465 1 15 CYS HA 1 31 HIS HD2 . . 4.890 4.716 4.603 4.879 . 0 0 "[ . 1 . 2]" 2
466 1 15 CYS HB3 1 31 HIS HD2 . . 4.080 4.053 3.980 4.084 0.004 14 0 "[ . 1 . 2]" 2
467 1 31 HIS HB3 1 31 HIS HD2 . . 3.450 2.816 2.782 2.853 . 0 0 "[ . 1 . 2]" 2
468 1 31 HIS HD2 1 32 GLN HG2 . . 3.940 3.071 2.719 3.414 . 0 0 "[ . 1 . 2]" 2
469 1 31 HIS HD2 1 32 GLN HB3 . . 5.160 4.843 4.580 5.160 0.000 14 0 "[ . 1 . 2]" 2
470 1 28 LEU HG 1 31 HIS HD2 . . 4.770 4.538 4.362 4.747 . 0 0 "[ . 1 . 2]" 2
471 1 20 LYS HB3 1 31 HIS HD2 . . 5.330 4.556 4.435 4.743 . 0 0 "[ . 1 . 2]" 2
472 1 28 LEU HB2 1 31 HIS HD2 . . 5.500 5.196 4.956 5.361 . 0 0 "[ . 1 . 2]" 2
473 1 14 GLU HB3 1 15 CYS H . . 4.290 4.121 4.026 4.215 . 0 0 "[ . 1 . 2]" 2
474 1 18 CYS H 1 35 HIS HD2 . . 5.350 5.063 4.625 5.262 . 0 0 "[ . 1 . 2]" 2
475 1 27 LEU HA 1 30 GLU H . . 3.980 3.735 3.583 3.839 . 0 0 "[ . 1 . 2]" 2
476 1 35 HIS H 1 35 HIS HD2 . . 4.310 3.569 3.347 3.665 . 0 0 "[ . 1 . 2]" 2
477 1 31 HIS HD2 1 35 HIS HD2 . . 3.930 3.450 3.182 3.665 . 0 0 "[ . 1 . 2]" 2
478 1 12 THR HB 1 14 GLU HB3 . . 5.040 4.222 3.958 4.729 . 0 0 "[ . 1 . 2]" 2
479 1 12 THR HB 1 14 GLU HB2 . . 5.030 3.509 3.295 3.907 . 0 0 "[ . 1 . 2]" 2
480 1 14 GLU HB2 1 19 GLY HA2 . . 5.500 5.354 5.157 5.477 . 0 0 "[ . 1 . 2]" 2
481 1 35 HIS HB3 1 35 HIS HD2 . . 3.850 3.611 3.575 3.700 . 0 0 "[ . 1 . 2]" 2
482 1 35 HIS HB2 1 35 HIS HD2 . . 3.470 2.697 2.690 2.704 . 0 0 "[ . 1 . 2]" 2
483 1 22 PHE HB3 1 27 LEU HA . . 4.810 4.608 4.473 4.743 . 0 0 "[ . 1 . 2]" 2
484 1 32 GLN HG2 1 35 HIS HD2 . . 4.320 3.233 2.985 3.511 . 0 0 "[ . 1 . 2]" 2
485 1 32 GLN HB3 1 35 HIS HD2 . . 4.980 4.077 3.854 4.334 . 0 0 "[ . 1 . 2]" 2
486 1 17 GLU HG2 1 35 HIS HD2 . . 5.300 4.692 4.258 5.294 . 0 0 "[ . 1 . 2]" 2
487 1 27 LEU HA 1 27 LEU HB3 . . 2.990 2.624 2.600 2.651 . 0 0 "[ . 1 . 2]" 2
488 1 17 GLU QB 1 35 HIS HD2 . . 3.900 3.119 2.968 3.249 . 0 0 "[ . 1 . 2]" 2
489 1 27 LEU HA 1 27 LEU MD1 . . 3.900 3.834 3.816 3.845 . 0 0 "[ . 1 . 2]" 2
490 1 14 GLU HB3 1 21 ILE HG13 . . 4.410 3.668 3.581 3.773 . 0 0 "[ . 1 . 2]" 2
491 1 34 LEU HA 1 34 LEU MD1 . . 3.430 3.341 3.227 3.432 0.002 18 0 "[ . 1 . 2]" 2
492 1 14 GLU HB3 1 21 ILE MG . . 4.510 4.435 4.217 4.511 0.001 14 0 "[ . 1 . 2]" 2
493 1 14 GLU HB2 1 15 CYS H . . 4.250 3.888 3.810 4.000 . 0 0 "[ . 1 . 2]" 2
494 1 14 GLU HB3 1 19 GLY HA2 . . 5.450 5.354 5.127 5.453 0.003 13 0 "[ . 1 . 2]" 2
495 1 10 LYS HA 1 11 THR MG . . 4.960 4.385 3.643 4.922 . 0 0 "[ . 1 . 2]" 2
496 1 17 GLU HA 1 18 CYS HB3 . . 5.500 5.423 5.359 5.489 . 0 0 "[ . 1 . 2]" 2
497 1 18 CYS HB2 1 19 GLY H . . 4.940 3.640 3.594 3.683 . 0 0 "[ . 1 . 2]" 2
498 1 18 CYS HB3 1 19 GLY H . . 4.770 3.949 3.874 4.008 . 0 0 "[ . 1 . 2]" 2
499 1 18 CYS H 1 18 CYS HB2 . . 4.020 3.721 3.678 3.761 . 0 0 "[ . 1 . 2]" 2
500 1 18 CYS HB3 1 20 LYS H . . 5.330 5.217 5.039 5.324 . 0 0 "[ . 1 . 2]" 2
501 1 18 CYS HB2 1 20 LYS H . . 4.820 4.624 4.428 4.821 0.001 19 0 "[ . 1 . 2]" 2
502 1 17 GLU QB 1 18 CYS HB3 . . 4.160 3.688 3.620 3.732 . 0 0 "[ . 1 . 2]" 2
503 1 18 CYS HB2 1 20 LYS HB2 . . 4.500 4.303 4.215 4.408 . 0 0 "[ . 1 . 2]" 2
504 1 33 ALA HA 1 36 ALA H . . 4.410 3.497 3.273 4.367 . 0 0 "[ . 1 . 2]" 2
505 1 32 GLN HB2 1 33 ALA HA . . 4.810 4.374 4.250 4.488 . 0 0 "[ . 1 . 2]" 2
506 1 32 GLN HB3 1 33 ALA HA . . 4.790 4.264 4.145 4.390 . 0 0 "[ . 1 . 2]" 2
507 1 22 PHE HB3 1 23 ARG QB . . 5.500 4.403 4.330 4.457 . 0 0 "[ . 1 . 2]" 2
508 1 23 ARG QB 1 24 HIS HB3 . . 5.500 4.038 3.883 4.224 . 0 0 "[ . 1 . 2]" 2
509 1 23 ARG QB 1 27 LEU MD1 . . 3.890 2.153 1.894 2.304 . 0 0 "[ . 1 . 2]" 2
510 1 29 ILE H 1 30 GLU QB . . 4.990 4.683 4.564 4.809 . 0 0 "[ . 1 . 2]" 2
511 1 27 LEU H 1 30 GLU QB . . 5.500 5.440 5.258 5.500 . 0 0 "[ . 1 . 2]" 2
512 1 28 LEU H 1 30 GLU QB . . 5.500 5.340 5.242 5.410 . 0 0 "[ . 1 . 2]" 2
513 1 27 LEU HA 1 30 GLU QB . . 3.540 3.299 3.140 3.398 . 0 0 "[ . 1 . 2]" 2
514 1 30 GLU QB 1 31 HIS HB3 . . 4.620 4.570 4.511 4.620 0.000 10 0 "[ . 1 . 2]" 2
515 1 27 LEU MD2 1 30 GLU QB . . 4.420 4.007 3.736 4.186 . 0 0 "[ . 1 . 2]" 2
516 1 35 HIS HB2 1 36 ALA HA . . 5.140 4.475 4.283 5.102 . 0 0 "[ . 1 . 2]" 2
517 1 15 CYS H 1 15 CYS HB2 . . 3.120 2.482 2.398 2.574 . 0 0 "[ . 1 . 2]" 2
518 1 15 CYS HB2 1 19 GLY H . . 4.220 4.084 3.955 4.213 . 0 0 "[ . 1 . 2]" 2
519 1 15 CYS HB2 1 18 CYS H . . 4.660 4.425 4.320 4.473 . 0 0 "[ . 1 . 2]" 2
520 1 15 CYS HB3 1 20 LYS H . . 3.430 1.984 1.900 2.083 . 0 0 "[ . 1 . 2]" 2
521 1 15 CYS HB2 1 20 LYS H . . 3.810 3.221 3.060 3.401 . 0 0 "[ . 1 . 2]" 2
522 1 15 CYS HB2 1 22 PHE HZ . . 4.840 4.232 4.005 4.426 . 0 0 "[ . 1 . 2]" 2
523 1 14 GLU HA 1 15 CYS HB3 . . 4.890 4.880 4.841 4.904 0.014 12 0 "[ . 1 . 2]" 2
524 1 14 GLU HA 1 15 CYS HB2 . . 4.640 4.324 4.289 4.347 . 0 0 "[ . 1 . 2]" 2
525 1 15 CYS HB3 1 16 GLN HA . . 5.500 5.081 5.034 5.168 . 0 0 "[ . 1 . 2]" 2
526 1 15 CYS HB3 1 19 GLY HA2 . . 4.550 3.955 3.860 4.075 . 0 0 "[ . 1 . 2]" 2
527 1 15 CYS HB3 1 17 GLU QB . . 5.390 4.005 3.794 4.192 . 0 0 "[ . 1 . 2]" 2
528 1 15 CYS HB3 1 20 LYS HB2 . . 3.910 3.451 3.308 3.565 . 0 0 "[ . 1 . 2]" 2
529 1 15 CYS HB2 1 20 LYS HB2 . . 4.480 4.127 3.931 4.301 . 0 0 "[ . 1 . 2]" 2
530 1 15 CYS HB3 1 20 LYS HB3 . . 4.400 3.295 3.197 3.459 . 0 0 "[ . 1 . 2]" 2
531 1 15 CYS HB2 1 20 LYS HB3 . . 4.350 3.193 3.044 3.314 . 0 0 "[ . 1 . 2]" 2
532 1 15 CYS HB3 1 28 LEU MD1 . . 3.710 3.534 3.398 3.704 . 0 0 "[ . 1 . 2]" 2
533 1 20 LYS HD2 1 31 HIS HE1 . . 3.930 3.748 3.373 3.930 0.000 14 0 "[ . 1 . 2]" 2
534 1 20 LYS H 1 20 LYS HD2 . . 5.290 5.135 4.970 5.272 . 0 0 "[ . 1 . 2]" 2
535 1 20 LYS H 1 20 LYS HD3 . . 5.290 4.884 4.754 5.066 . 0 0 "[ . 1 . 2]" 2
536 1 28 LEU H 1 29 ILE HG13 . . 4.970 4.060 3.943 4.180 . 0 0 "[ . 1 . 2]" 2
537 1 20 LYS HA 1 20 LYS HD3 . . 4.510 4.412 4.368 4.511 0.001 10 0 "[ . 1 . 2]" 2
538 1 26 SER HA 1 29 ILE HG13 . . 5.010 2.695 2.410 2.884 . 0 0 "[ . 1 . 2]" 2
539 1 28 LEU HB3 1 29 ILE HG13 . . 4.490 3.703 3.505 3.811 . 0 0 "[ . 1 . 2]" 2
540 1 20 LYS HB3 1 20 LYS HD2 . . 3.830 3.584 3.429 3.650 . 0 0 "[ . 1 . 2]" 2
541 1 20 LYS HB3 1 20 LYS HD3 . . 3.830 2.686 2.647 2.743 . 0 0 "[ . 1 . 2]" 2
542 1 29 ILE HG12 1 30 GLU H . . 5.010 4.954 4.913 5.013 0.003 12 0 "[ . 1 . 2]" 2
543 1 10 LYS HA 1 10 LYS QD . . 4.640 3.181 2.002 4.187 . 0 0 "[ . 1 . 2]" 2
544 1 35 HIS HB3 1 36 ALA HA . . 5.120 4.271 4.102 4.938 . 0 0 "[ . 1 . 2]" 2
545 1 17 GLU QB 1 35 HIS HB3 . . 4.670 4.213 3.858 4.423 . 0 0 "[ . 1 . 2]" 2
546 1 17 GLU QB 1 35 HIS HB2 . . 5.120 4.598 4.240 4.799 . 0 0 "[ . 1 . 2]" 2
547 1 35 HIS HB2 1 36 ALA MB . . 5.440 3.945 3.738 4.208 . 0 0 "[ . 1 . 2]" 2
548 1 28 LEU HB2 1 31 HIS HB3 . . 4.680 4.461 4.376 4.624 . 0 0 "[ . 1 . 2]" 2
549 1 28 LEU MD1 1 31 HIS HB3 . . 3.820 2.980 2.715 3.227 . 0 0 "[ . 1 . 2]" 2
550 1 16 GLN H 1 16 GLN HB2 . . 4.160 3.590 3.576 3.598 . 0 0 "[ . 1 . 2]" 2
551 1 31 HIS HB2 1 32 GLN H . . 4.050 3.975 3.919 4.033 . 0 0 "[ . 1 . 2]" 2
552 1 22 PHE QD 1 31 HIS HB2 . . 4.710 4.518 4.419 4.610 . 0 0 "[ . 1 . 2]" 2
553 1 22 PHE QE 1 31 HIS HB2 . . 3.970 2.936 2.840 3.062 . 0 0 "[ . 1 . 2]" 2
554 1 15 CYS HA 1 16 GLN HB3 . . 4.990 4.740 4.629 4.924 . 0 0 "[ . 1 . 2]" 2
555 1 31 HIS HB3 1 32 GLN HG2 . . 5.450 4.957 4.567 5.211 . 0 0 "[ . 1 . 2]" 2
556 1 32 GLN HB3 1 35 HIS HB2 . . 5.070 4.100 4.012 4.313 . 0 0 "[ . 1 . 2]" 2
557 1 30 GLU QB 1 31 HIS HB2 . . 4.550 4.430 4.345 4.513 . 0 0 "[ . 1 . 2]" 2
558 1 28 LEU MD1 1 31 HIS HB2 . . 4.690 4.348 4.051 4.593 . 0 0 "[ . 1 . 2]" 2
559 1 32 GLN H 1 32 GLN HB3 . . 3.650 3.582 3.557 3.595 . 0 0 "[ . 1 . 2]" 2
560 1 16 GLN HB3 1 16 GLN HE22 . . 5.500 4.900 4.436 5.352 . 0 0 "[ . 1 . 2]" 2
561 1 28 LEU MD1 1 32 GLN HB2 . . 4.530 4.058 3.912 4.281 . 0 0 "[ . 1 . 2]" 2
562 1 29 ILE MG 1 32 GLN HB2 . . 4.990 4.107 3.955 4.252 . 0 0 "[ . 1 . 2]" 2
563 1 31 HIS H 1 32 GLN HB2 . . 5.270 4.607 4.460 4.744 . 0 0 "[ . 1 . 2]" 2
564 1 28 LEU HG 1 32 GLN HB2 . . 4.690 4.204 3.999 4.441 . 0 0 "[ . 1 . 2]" 2
565 1 32 GLN HB2 1 33 ALA MB . . 5.130 4.213 4.112 4.331 . 0 0 "[ . 1 . 2]" 2
566 1 32 GLN HB3 1 33 ALA MB . . 5.120 4.821 4.701 4.943 . 0 0 "[ . 1 . 2]" 2
567 1 32 GLN HB3 1 36 ALA MB . . 5.500 4.710 4.281 5.086 . 0 0 "[ . 1 . 2]" 2
568 1 28 LEU MD1 1 32 GLN HB3 . . 4.530 4.460 4.339 4.535 0.005 12 0 "[ . 1 . 2]" 2
569 1 21 ILE HG12 1 22 PHE H . . 5.350 4.983 4.787 5.145 . 0 0 "[ . 1 . 2]" 2
570 1 21 ILE H 1 21 ILE HG12 . . 4.010 3.891 3.778 4.003 . 0 0 "[ . 1 . 2]" 2
571 1 14 GLU HA 1 21 ILE HG12 . . 5.350 5.070 4.874 5.258 . 0 0 "[ . 1 . 2]" 2
572 1 14 GLU HA 1 21 ILE HG13 . . 4.430 3.521 3.311 3.700 . 0 0 "[ . 1 . 2]" 2
573 1 21 ILE HA 1 21 ILE HG12 . . 3.870 3.556 3.503 3.630 . 0 0 "[ . 1 . 2]" 2
574 1 7 GLY QA 1 21 ILE HG12 . . 4.260 2.772 2.006 3.567 . 0 0 "[ . 1 . 2]" 2
575 1 7 GLY QA 1 21 ILE HG13 . . 4.810 4.036 3.125 4.809 . 0 0 "[ . 1 . 2]" 2
576 1 20 LYS HA 1 21 ILE HG13 . . 5.390 4.739 4.654 4.891 . 0 0 "[ . 1 . 2]" 2
577 1 14 GLU HG3 1 21 ILE HG13 . . 4.280 2.688 2.448 2.778 . 0 0 "[ . 1 . 2]" 2
578 1 14 GLU HB2 1 21 ILE HG13 . . 4.170 2.039 1.999 2.143 . 0 0 "[ . 1 . 2]" 2
579 1 21 ILE HG12 1 21 ILE MG . . 3.030 2.194 2.073 2.282 . 0 0 "[ . 1 . 2]" 2
580 1 34 LEU HG 1 35 HIS H . . 4.400 1.927 1.900 2.090 . 0 0 "[ . 1 . 2]" 2
581 1 27 LEU HA 1 27 LEU HG . . 3.590 2.753 2.690 2.827 . 0 0 "[ . 1 . 2]" 2
582 1 25 SER HA 1 28 LEU HG . . 4.950 4.792 4.682 4.863 . 0 0 "[ . 1 . 2]" 2
583 1 23 ARG QG 1 24 HIS HB3 . . 4.400 3.881 3.350 4.176 . 0 0 "[ . 1 . 2]" 2
584 1 28 LEU HG 1 32 GLN HG3 . . 3.780 2.356 2.155 2.519 . 0 0 "[ . 1 . 2]" 2
585 1 23 ARG QB 1 23 ARG QG . . 2.400 2.014 1.999 2.020 . 0 0 "[ . 1 . 2]" 2
586 1 34 LEU HA 1 34 LEU HG . . 3.880 3.721 3.681 3.758 . 0 0 "[ . 1 . 2]" 2
587 1 27 LEU HB3 1 27 LEU MD1 . . 3.060 2.425 2.322 2.542 . 0 0 "[ . 1 . 2]" 2
588 1 20 LYS HG3 1 21 ILE H . . 4.130 3.392 3.176 3.548 . 0 0 "[ . 1 . 2]" 2
589 1 24 HIS H 1 27 LEU MD1 . . 3.390 2.248 1.887 2.531 . 0 0 "[ . 1 . 2]" 2
590 1 20 LYS HG2 1 22 PHE QE . . 5.100 3.350 3.182 3.542 . 0 0 "[ . 1 . 2]" 2
591 1 22 PHE QE 1 27 LEU MD1 . . 5.020 4.790 4.518 4.953 . 0 0 "[ . 1 . 2]" 2
592 1 20 LYS HG3 1 22 PHE QE . . 5.100 4.612 4.467 4.799 . 0 0 "[ . 1 . 2]" 2
593 1 40 GLY HA2 1 41 PRO QD . . 3.500 2.410 1.938 3.461 . 0 0 "[ . 1 . 2]" 2
594 1 22 PHE HB3 1 27 LEU MD1 . . 3.360 2.848 2.721 3.087 . 0 0 "[ . 1 . 2]" 2
595 1 22 PHE HB2 1 27 LEU MD1 . . 4.730 4.327 4.162 4.496 . 0 0 "[ . 1 . 2]" 2
596 1 27 LEU HB2 1 27 LEU MD1 . . 3.160 2.257 2.128 2.341 . 0 0 "[ . 1 . 2]" 2
597 1 16 GLN H 1 28 LEU MD2 . . 4.960 4.420 4.112 4.702 . 0 0 "[ . 1 . 2]" 2
598 1 15 CYS H 1 28 LEU MD2 . . 4.780 4.125 3.858 4.406 . 0 0 "[ . 1 . 2]" 2
599 1 22 PHE H 1 28 LEU MD2 . . 5.460 4.824 4.642 5.178 . 0 0 "[ . 1 . 2]" 2
600 1 28 LEU MD2 1 29 ILE H . . 4.600 4.218 4.090 4.409 . 0 0 "[ . 1 . 2]" 2
601 1 28 LEU MD2 1 32 GLN HE21 . . 4.360 2.494 1.929 3.277 . 0 0 "[ . 1 . 2]" 2
602 1 22 PHE QD 1 28 LEU MD2 . . 3.910 3.389 3.217 3.607 . 0 0 "[ . 1 . 2]" 2
603 1 28 LEU MD2 1 32 GLN HE22 . . 4.140 3.006 2.655 3.241 . 0 0 "[ . 1 . 2]" 2
604 1 13 SER HA 1 28 LEU MD2 . . 3.740 2.997 2.885 3.169 . 0 0 "[ . 1 . 2]" 2
605 1 15 CYS HA 1 28 LEU MD2 . . 4.060 3.227 2.847 3.500 . 0 0 "[ . 1 . 2]" 2
606 1 28 LEU HA 1 28 LEU MD2 . . 4.220 3.974 3.945 4.001 . 0 0 "[ . 1 . 2]" 2
607 1 15 CYS HB2 1 28 LEU MD2 . . 4.340 4.079 3.722 4.336 . 0 0 "[ . 1 . 2]" 2
608 1 28 LEU HB3 1 28 LEU MD2 . . 3.100 2.224 2.148 2.312 . 0 0 "[ . 1 . 2]" 2
609 1 28 LEU HB2 1 28 LEU MD2 . . 3.210 2.463 2.401 2.532 . 0 0 "[ . 1 . 2]" 2
610 1 24 HIS HB3 1 24 HIS HD2 . . 3.450 2.898 2.842 2.933 . 0 0 "[ . 1 . 2]" 2
611 1 23 ARG QB 1 24 HIS HD2 . . 4.200 2.030 1.987 2.220 . 0 0 "[ . 1 . 2]" 2
612 1 23 ARG QG 1 24 HIS HD2 . . 4.770 2.451 2.109 2.756 . 0 0 "[ . 1 . 2]" 2
613 1 24 HIS HD2 1 27 LEU MD1 . . 3.760 2.952 2.730 3.264 . 0 0 "[ . 1 . 2]" 2
614 1 24 HIS HD2 1 27 LEU MD2 . . 5.320 5.282 5.212 5.322 0.002 19 0 "[ . 1 . 2]" 2
615 1 31 HIS HE1 1 34 LEU MD2 . . 4.270 2.349 2.133 2.579 . 0 0 "[ . 1 . 2]" 2
616 1 34 LEU H 1 34 LEU MD2 . . 4.290 3.413 3.263 3.517 . 0 0 "[ . 1 . 2]" 2
617 1 34 LEU HA 1 34 LEU MD2 . . 4.170 4.122 4.093 4.138 . 0 0 "[ . 1 . 2]" 2
618 1 34 LEU HB3 1 34 LEU MD2 . . 3.360 2.132 1.990 2.265 . 0 0 "[ . 1 . 2]" 2
619 1 34 LEU HB2 1 34 LEU MD2 . . 3.450 2.577 2.481 2.692 . 0 0 "[ . 1 . 2]" 2
620 1 31 HIS HB2 1 34 LEU MD2 . . 4.900 3.692 3.539 3.844 . 0 0 "[ . 1 . 2]" 2
621 1 12 THR MG 1 21 ILE MG . . 3.120 2.014 1.849 2.306 . 0 0 "[ . 1 . 2]" 2
622 1 12 THR MG 1 14 GLU HB2 . . 4.690 4.223 3.780 4.620 . 0 0 "[ . 1 . 2]" 2
623 1 12 THR MG 1 23 ARG QB . . 5.150 4.735 4.368 4.938 . 0 0 "[ . 1 . 2]" 2
624 1 11 THR MG 1 12 THR H . . 5.230 3.655 2.221 4.381 . 0 0 "[ . 1 . 2]" 2
625 1 13 SER HB3 1 25 SER HA . . 4.120 2.187 2.000 2.637 . 0 0 "[ . 1 . 2]" 2
626 1 15 CYS HB2 1 19 GLY HA2 . . 5.500 5.362 5.254 5.476 . 0 0 "[ . 1 . 2]" 2
627 1 15 CYS HB2 1 20 LYS HA . . 5.500 5.358 5.172 5.494 . 0 0 "[ . 1 . 2]" 2
628 1 15 CYS HA 1 16 GLN HA . . 4.530 4.440 4.412 4.531 0.001 13 0 "[ . 1 . 2]" 2
629 1 17 GLU HA 1 17 GLU HG3 . . 3.890 3.368 2.666 3.793 . 0 0 "[ . 1 . 2]" 2
630 1 17 GLU QB 1 18 CYS HA . . 5.150 4.077 3.987 4.146 . 0 0 "[ . 1 . 2]" 2
631 1 20 LYS HA 1 20 LYS HG2 . . 3.430 3.137 3.105 3.176 . 0 0 "[ . 1 . 2]" 2
632 1 20 LYS HB2 1 22 PHE QD . . 5.500 5.451 5.331 5.500 . 0 0 "[ . 1 . 2]" 2
633 1 20 LYS HE3 1 22 PHE HZ . . 5.220 3.979 2.982 4.964 . 0 0 "[ . 1 . 2]" 2
634 1 20 LYS HE2 1 31 HIS HE1 . . 5.500 4.688 4.148 5.476 . 0 0 "[ . 1 . 2]" 2
635 1 20 LYS HE3 1 31 HIS HE1 . . 5.500 5.082 4.309 5.501 0.001 14 0 "[ . 1 . 2]" 2
636 1 14 GLU HB2 1 21 ILE HG12 . . 4.460 3.469 3.337 3.680 . 0 0 "[ . 1 . 2]" 2
637 1 14 GLU HG3 1 21 ILE HG12 . . 4.470 4.396 4.144 4.472 0.002 19 0 "[ . 1 . 2]" 2
638 1 22 PHE HB2 1 23 ARG HA . . 5.500 5.486 5.435 5.520 0.020 19 0 "[ . 1 . 2]" 2
639 1 15 CYS HB3 1 22 PHE HZ . . 5.410 5.076 4.822 5.218 . 0 0 "[ . 1 . 2]" 2
640 1 20 LYS H 1 22 PHE HZ . . 5.490 5.383 5.186 5.488 . 0 0 "[ . 1 . 2]" 2
641 1 22 PHE HZ 1 31 HIS H . . 5.500 5.089 4.958 5.266 . 0 0 "[ . 1 . 2]" 2
642 1 23 ARG QG 1 27 LEU MD1 . . 4.080 3.690 3.409 3.912 . 0 0 "[ . 1 . 2]" 2
643 1 24 HIS HB2 1 27 LEU HB2 . . 5.320 5.015 4.716 5.144 . 0 0 "[ . 1 . 2]" 2
644 1 27 LEU HA 1 27 LEU MD2 . . 2.770 2.075 1.972 2.211 . 0 0 "[ . 1 . 2]" 2
645 1 15 CYS HB2 1 28 LEU MD1 . . 3.040 2.160 1.978 2.344 . 0 0 "[ . 1 . 2]" 2
646 1 30 GLU QB 1 31 HIS H . . 3.100 2.752 2.700 2.903 . 0 0 "[ . 1 . 2]" 2
647 1 30 GLU QB 1 32 GLN H . . 5.180 4.916 4.826 5.004 . 0 0 "[ . 1 . 2]" 2
648 1 25 SER HB3 1 29 ILE MD . . 4.580 3.389 2.372 4.506 . 0 0 "[ . 1 . 2]" 2
649 1 31 HIS HA 1 34 LEU HB3 . . 3.640 3.440 3.361 3.483 . 0 0 "[ . 1 . 2]" 2
650 1 15 CYS HB2 1 31 HIS HD2 . . 3.110 2.941 2.826 3.060 . 0 0 "[ . 1 . 2]" 2
651 1 31 HIS HD2 1 32 GLN HB2 . . 5.220 4.624 4.475 4.828 . 0 0 "[ . 1 . 2]" 2
652 1 31 HIS HE1 1 34 LEU MD1 . . 4.070 3.983 3.796 4.063 . 0 0 "[ . 1 . 2]" 2
653 1 20 LYS HB3 1 31 HIS HE1 . . 4.550 4.138 3.873 4.388 . 0 0 "[ . 1 . 2]" 2
654 1 20 LYS HD3 1 31 HIS HE1 . . 3.930 2.688 2.369 3.007 . 0 0 "[ . 1 . 2]" 2
655 1 22 PHE HZ 1 31 HIS HE1 . . 4.330 3.729 3.600 3.909 . 0 0 "[ . 1 . 2]" 2
656 1 17 GLU HG3 1 35 HIS HD2 . . 5.300 3.792 2.889 4.711 . 0 0 "[ . 1 . 2]" 2
657 1 34 LEU H 1 35 HIS HD2 . . 5.500 5.384 5.012 5.500 . 0 0 "[ . 1 . 2]" 2
658 1 18 CYS HB3 1 35 HIS HE1 . . 3.130 2.505 2.418 2.589 . 0 0 "[ . 1 . 2]" 2
659 1 18 CYS HB2 1 35 HIS HE1 . . 4.200 4.048 3.878 4.181 . 0 0 "[ . 1 . 2]" 2
660 1 31 HIS HE1 1 35 HIS HD2 . . 5.500 5.274 4.944 5.491 . 0 0 "[ . 1 . 2]" 2
661 1 33 ALA HA 1 36 ALA MB . . 3.260 2.856 2.488 3.127 . 0 0 "[ . 1 . 2]" 2
662 1 14 GLU HG2 1 19 GLY HA3 . . 4.900 4.686 4.420 4.877 . 0 0 "[ . 1 . 2]" 2
663 1 14 GLU HG3 1 19 GLY HA2 . . 4.130 3.065 2.919 3.185 . 0 0 "[ . 1 . 2]" 2
664 1 13 SER HB2 1 22 PHE H . . 4.030 3.534 3.367 3.686 . 0 0 "[ . 1 . 2]" 2
665 1 20 LYS H 1 20 LYS HB3 . . 3.570 2.848 2.767 2.874 . 0 0 "[ . 1 . 2]" 2
666 1 22 PHE H 1 23 ARG HA . . 5.320 5.034 4.937 5.128 . 0 0 "[ . 1 . 2]" 2
667 1 18 CYS HA 1 35 HIS HE1 . . 4.700 4.656 4.600 4.701 0.001 19 0 "[ . 1 . 2]" 2
668 1 10 LYS H 1 10 LYS QB . . 3.660 2.486 2.170 3.029 . 0 0 "[ . 1 . 2]" 2
669 1 10 LYS HA 1 10 LYS QG . . 3.650 2.557 2.186 3.435 . 0 0 "[ . 1 . 2]" 2
670 1 16 GLN QG 1 17 GLU QG . . 4.660 2.887 2.559 3.313 . 0 0 "[ . 1 . 2]" 2
671 1 16 GLN QE 1 17 GLU QG . . 4.210 3.199 1.921 4.148 . 0 0 "[ . 1 . 2]" 2
672 1 17 GLU H 1 17 GLU QG . . 3.490 2.435 2.124 2.856 . 0 0 "[ . 1 . 2]" 2
673 1 17 GLU HA 1 17 GLU QG . . 3.400 2.586 2.167 2.932 . 0 0 "[ . 1 . 2]" 2
674 1 17 GLU QG 1 18 CYS H . . 4.380 4.090 3.887 4.324 . 0 0 "[ . 1 . 2]" 2
675 1 17 GLU QG 1 35 HIS HB3 . . 4.580 4.165 3.644 4.580 . 18 0 "[ . 1 . 2]" 2
676 1 17 GLU QG 1 35 HIS HD2 . . 4.620 3.581 2.846 4.167 . 0 0 "[ . 1 . 2]" 2
677 1 20 LYS H 1 20 LYS QD . . 4.660 4.450 4.371 4.495 . 0 0 "[ . 1 . 2]" 2
678 1 20 LYS HA 1 20 LYS QG . . 2.910 2.161 2.143 2.206 . 0 0 "[ . 1 . 2]" 2
679 1 20 LYS HA 1 20 LYS QD . . 3.730 3.708 3.664 3.730 . 0 0 "[ . 1 . 2]" 2
680 1 20 LYS HA 1 20 LYS QE . . 5.140 4.688 4.516 4.879 . 0 0 "[ . 1 . 2]" 2
681 1 20 LYS HB2 1 20 LYS QE . . 4.910 3.980 3.926 4.053 . 0 0 "[ . 1 . 2]" 2
682 1 20 LYS QE 1 20 LYS QG . . 3.100 2.165 2.044 2.300 . 0 0 "[ . 1 . 2]" 2
683 1 20 LYS QG 1 21 ILE H . . 3.290 3.143 2.950 3.284 . 0 0 "[ . 1 . 2]" 2
684 1 20 LYS QG 1 22 PHE QE . . 4.420 3.274 3.117 3.450 . 0 0 "[ . 1 . 2]" 2
685 1 20 LYS QG 1 22 PHE HZ . . 4.100 3.049 2.784 3.297 . 0 0 "[ . 1 . 2]" 2
686 1 20 LYS QG 1 31 HIS HE1 . . 5.040 4.675 4.377 4.871 . 0 0 "[ . 1 . 2]" 2
687 1 20 LYS QD 1 22 PHE QE . . 4.170 3.606 3.401 3.770 . 0 0 "[ . 1 . 2]" 2
688 1 20 LYS QD 1 22 PHE HZ . . 3.380 2.627 2.354 2.890 . 0 0 "[ . 1 . 2]" 2
689 1 20 LYS QD 1 31 HIS HE1 . . 3.310 2.629 2.324 2.889 . 0 0 "[ . 1 . 2]" 2
690 1 20 LYS QE 1 22 PHE QE . . 4.660 3.152 2.663 4.097 . 0 0 "[ . 1 . 2]" 2
691 1 20 LYS QE 1 22 PHE HZ . . 4.600 3.273 2.845 4.025 . 0 0 "[ . 1 . 2]" 2
692 1 24 HIS HE1 1 26 SER QB . . 3.750 2.978 2.595 3.775 0.025 20 0 "[ . 1 . 2]" 2
693 1 25 SER QB 1 28 LEU HB3 . . 4.420 4.030 3.905 4.228 . 0 0 "[ . 1 . 2]" 2
694 1 25 SER QB 1 29 ILE HG12 . . 4.500 3.744 3.587 3.985 . 0 0 "[ . 1 . 2]" 2
695 1 25 SER QB 1 29 ILE HG13 . . 4.940 2.975 2.810 3.147 . 0 0 "[ . 1 . 2]" 2
696 1 25 SER QB 1 29 ILE MD . . 3.910 2.755 2.321 3.029 . 0 0 "[ . 1 . 2]" 2
697 1 26 SER QB 1 27 LEU H . . 4.060 2.205 1.962 3.159 . 0 0 "[ . 1 . 2]" 2
698 1 26 SER QB 1 29 ILE H . . 4.880 4.606 4.485 4.829 . 0 0 "[ . 1 . 2]" 2
699 1 26 SER QB 1 29 ILE HB . . 4.060 4.040 3.963 4.061 0.001 12 0 "[ . 1 . 2]" 2
700 1 26 SER QB 1 29 ILE HG13 . . 4.870 4.596 4.381 4.735 . 0 0 "[ . 1 . 2]" 2
701 1 26 SER QB 1 29 ILE MD . . 3.820 3.609 3.274 3.801 . 0 0 "[ . 1 . 2]" 2
702 1 26 SER QB 1 30 GLU H . . 5.060 4.842 4.738 5.059 . 0 0 "[ . 1 . 2]" 2
703 1 26 SER QB 1 30 GLU QB . . 5.340 5.203 5.001 5.344 0.004 14 0 "[ . 1 . 2]" 2
704 1 27 LEU HA 1 30 GLU QG . . 4.070 3.819 2.905 4.042 . 0 0 "[ . 1 . 2]" 2
705 1 27 LEU MD2 1 30 GLU QG . . 4.660 4.442 3.905 4.646 . 0 0 "[ . 1 . 2]" 2
706 1 29 ILE MG 1 30 GLU QG . . 4.550 3.596 3.389 3.804 . 0 0 "[ . 1 . 2]" 2
707 1 30 GLU HA 1 30 GLU QG . . 3.230 2.775 2.437 2.954 . 0 0 "[ . 1 . 2]" 2
708 1 30 GLU QG 1 31 HIS H . . 4.390 4.248 3.963 4.352 . 0 0 "[ . 1 . 2]" 2
709 1 36 ALA MB 1 37 GLY QA . . 4.190 3.720 3.398 3.929 . 0 0 "[ . 1 . 2]" 2
710 1 38 GLU H 1 38 GLU QB . . 3.560 2.517 2.230 3.170 . 0 0 "[ . 1 . 2]" 2
711 1 38 GLU H 1 38 GLU QG . . 4.700 2.969 1.927 4.083 . 0 0 "[ . 1 . 2]" 2
712 1 38 GLU HA 1 38 GLU QG . . 3.710 2.784 2.200 3.443 . 0 0 "[ . 1 . 2]" 2
713 1 40 GLY QA 1 41 PRO QD . . 3.030 1.989 1.907 2.203 . 0 0 "[ . 1 . 2]" 2
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