NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506954 |
2djr   |
10257 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2djr
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 42
_Distance_constraint_stats_list.Viol_total 1.226
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0007
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0015
_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 31 CYS 0.024 0.003 5 0 "[ . 1 . 2]"
1 34 CYS 0.016 0.002 16 0 "[ . 1 . 2]"
1 54 HIS 0.027 0.005 8 0 "[ . 1 . 2]"
1 59 HIS 0.020 0.005 8 0 "[ . 1 . 2]"
2 1 ZN 0.035 0.003 15 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 31 CYS SG 2 1 ZN ZN . 2.330 2.370 2.362 2.330 2.372 0.002 12 0 "[ . 1 . 2]" 1
2 1 34 CYS SG 2 1 ZN ZN . 2.330 2.370 2.345 2.328 2.368 0.002 20 0 "[ . 1 . 2]" 1
3 1 54 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.359 2.329 2.372 0.002 13 0 "[ . 1 . 2]" 1
4 1 59 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.349 2.327 2.373 0.003 15 0 "[ . 1 . 2]" 1
5 1 31 CYS CB 2 1 ZN ZN . 3.250 3.510 3.275 3.248 3.332 0.002 18 0 "[ . 1 . 2]" 1
6 1 34 CYS CB 2 1 ZN ZN . 3.250 3.510 3.479 3.380 3.512 0.002 20 0 "[ . 1 . 2]" 1
7 1 31 CYS SG 1 34 CYS SG . 3.200 4.000 3.881 3.745 4.002 0.002 7 0 "[ . 1 . 2]" 1
8 1 31 CYS SG 1 54 HIS NE2 . 3.200 4.000 3.970 3.885 4.003 0.003 5 0 "[ . 1 . 2]" 1
9 1 31 CYS SG 1 59 HIS NE2 . 3.200 4.000 3.752 3.610 3.910 . 0 0 "[ . 1 . 2]" 1
10 1 34 CYS SG 1 54 HIS NE2 . 3.200 4.000 3.574 3.368 3.859 . 0 0 "[ . 1 . 2]" 1
11 1 34 CYS SG 1 59 HIS NE2 . 3.200 4.000 3.922 3.691 4.002 0.002 16 0 "[ . 1 . 2]" 1
12 1 54 HIS NE2 1 59 HIS NE2 . 3.200 4.000 3.925 3.729 4.005 0.005 8 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 1153
_Distance_constraint_stats_list.Viol_count 616
_Distance_constraint_stats_list.Viol_total 163.047
_Distance_constraint_stats_list.Viol_max 0.137
_Distance_constraint_stats_list.Viol_rms 0.0035
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0132
_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 0.004 0.003 9 0 "[ . 1 . 2]"
1 8 SER 0.074 0.028 12 0 "[ . 1 . 2]"
1 9 GLU 0.308 0.062 2 0 "[ . 1 . 2]"
1 10 ALA 0.172 0.062 2 0 "[ . 1 . 2]"
1 11 TRP 0.215 0.028 11 0 "[ . 1 . 2]"
1 12 GLU 0.118 0.071 11 0 "[ . 1 . 2]"
1 13 TYR 0.331 0.071 11 0 "[ . 1 . 2]"
1 14 PHE 0.301 0.021 11 0 "[ . 1 . 2]"
1 15 HIS 0.554 0.035 16 0 "[ . 1 . 2]"
1 16 LEU 0.089 0.015 12 0 "[ . 1 . 2]"
1 17 ALA 0.075 0.012 11 0 "[ . 1 . 2]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.035 0.019 4 0 "[ . 1 . 2]"
1 20 ARG 0.032 0.019 4 0 "[ . 1 . 2]"
1 23 HIS 0.055 0.016 19 0 "[ . 1 . 2]"
1 24 HIS 0.051 0.016 14 0 "[ . 1 . 2]"
1 25 PRO 0.007 0.005 10 0 "[ . 1 . 2]"
1 26 ASN 0.056 0.016 14 0 "[ . 1 . 2]"
1 27 GLN 0.073 0.016 19 0 "[ . 1 . 2]"
1 28 TYR 0.052 0.006 16 0 "[ . 1 . 2]"
1 29 ALA 0.096 0.022 8 0 "[ . 1 . 2]"
1 30 THR 0.640 0.035 16 0 "[ . 1 . 2]"
1 31 CYS 0.186 0.037 7 0 "[ . 1 . 2]"
1 32 ARG 0.166 0.067 14 0 "[ . 1 . 2]"
1 33 LEU 0.389 0.067 14 0 "[ . 1 . 2]"
1 34 CYS 0.158 0.046 15 0 "[ . 1 . 2]"
1 35 GLY 0.137 0.018 18 0 "[ . 1 . 2]"
1 36 ARG 0.256 0.059 7 0 "[ . 1 . 2]"
1 37 GLN 0.264 0.053 4 0 "[ . 1 . 2]"
1 38 VAL 0.050 0.009 16 0 "[ . 1 . 2]"
1 39 SER 0.046 0.015 12 0 "[ . 1 . 2]"
1 40 ARG 0.193 0.040 8 0 "[ . 1 . 2]"
1 41 GLY 0.005 0.003 13 0 "[ . 1 . 2]"
1 42 PRO 0.003 0.003 13 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.086 0.040 8 0 "[ . 1 . 2]"
1 45 ASN 0.000 0.000 13 0 "[ . 1 . 2]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 THR 0.060 0.027 18 0 "[ . 1 . 2]"
1 49 THR 0.237 0.088 18 0 "[ . 1 . 2]"
1 50 ALA 0.041 0.026 10 0 "[ . 1 . 2]"
1 51 LEU 0.344 0.088 18 0 "[ . 1 . 2]"
1 52 TRP 0.626 0.035 12 0 "[ . 1 . 2]"
1 53 LYS 0.229 0.045 12 0 "[ . 1 . 2]"
1 54 HIS 0.703 0.047 12 0 "[ . 1 . 2]"
1 55 LEU 2.044 0.059 5 0 "[ . 1 . 2]"
1 56 LYS 1.507 0.113 17 0 "[ . 1 . 2]"
1 57 SER 0.567 0.113 17 0 "[ . 1 . 2]"
1 58 MET 0.395 0.023 9 0 "[ . 1 . 2]"
1 59 HIS 0.136 0.018 14 0 "[ . 1 . 2]"
1 60 ARG 0.085 0.018 14 0 "[ . 1 . 2]"
1 61 GLU 0.010 0.004 19 0 "[ . 1 . 2]"
1 62 GLU 1.095 0.137 19 0 "[ . 1 . 2]"
1 63 LEU 0.061 0.012 14 0 "[ . 1 . 2]"
1 64 GLU 0.016 0.009 12 0 "[ . 1 . 2]"
1 65 LYS 0.022 0.012 2 0 "[ . 1 . 2]"
1 66 SER 0.065 0.013 17 0 "[ . 1 . 2]"
1 67 GLY 0.034 0.013 17 0 "[ . 1 . 2]"
1 68 HIS 0.043 0.010 14 0 "[ . 1 . 2]"
1 69 GLY 0.003 0.003 4 0 "[ . 1 . 2]"
1 70 GLN 0.003 0.003 4 0 "[ . 1 . 2]"
1 71 SER 0.010 0.009 11 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 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 39 SER HA 1 41 GLY H . . 4.880 4.452 3.806 4.880 0.000 20 0 "[ . 1 . 2]" 2
2 1 15 HIS HA 1 16 LEU H . . 3.570 2.153 2.142 2.163 . 0 0 "[ . 1 . 2]" 2
3 1 15 HIS HB2 1 16 LEU H . . 4.720 3.411 3.341 3.528 . 0 0 "[ . 1 . 2]" 2
4 1 15 HIS HB3 1 16 LEU H . . 4.600 4.418 4.385 4.472 . 0 0 "[ . 1 . 2]" 2
5 1 16 LEU H 1 16 LEU QB . . 3.890 2.356 2.254 2.450 . 0 0 "[ . 1 . 2]" 2
6 1 16 LEU H 1 16 LEU HG . . 4.320 2.450 2.218 2.702 . 0 0 "[ . 1 . 2]" 2
7 1 40 ARG HB2 1 41 GLY H . . 4.160 2.683 1.938 3.897 . 0 0 "[ . 1 . 2]" 2
8 1 40 ARG H 1 41 GLY H . . 3.760 2.541 1.912 3.201 . 0 0 "[ . 1 . 2]" 2
9 1 41 GLY H 1 44 VAL HB . . 5.500 4.855 4.227 5.498 . 0 0 "[ . 1 . 2]" 2
10 1 40 ARG HB3 1 41 GLY H . . 4.160 3.407 2.137 4.013 . 0 0 "[ . 1 . 2]" 2
11 1 41 GLY H 1 44 VAL MG1 . . 5.500 4.592 2.912 5.486 . 0 0 "[ . 1 . 2]" 2
12 1 41 GLY H 1 44 VAL MG2 . . 5.500 4.723 3.076 5.487 . 0 0 "[ . 1 . 2]" 2
13 1 29 ALA H 1 38 VAL H . . 3.640 2.799 2.494 3.113 . 0 0 "[ . 1 . 2]" 2
14 1 28 TYR QD 1 38 VAL H . . 4.170 3.786 3.247 4.171 0.001 15 0 "[ . 1 . 2]" 2
15 1 28 TYR HA 1 38 VAL H . . 5.020 4.790 4.490 5.026 0.006 5 0 "[ . 1 . 2]" 2
16 1 28 TYR QB 1 38 VAL H . . 3.980 3.744 3.398 3.985 0.005 7 0 "[ . 1 . 2]" 2
17 1 31 CYS HB2 1 38 VAL H . . 5.090 4.968 4.705 5.099 0.009 16 0 "[ . 1 . 2]" 2
18 1 37 GLN HB2 1 38 VAL H . . 4.410 4.197 4.066 4.345 . 0 0 "[ . 1 . 2]" 2
19 1 38 VAL H 1 38 VAL HB . . 3.190 2.729 2.617 2.807 . 0 0 "[ . 1 . 2]" 2
20 1 29 ALA MB 1 38 VAL H . . 4.320 3.233 3.030 3.434 . 0 0 "[ . 1 . 2]" 2
21 1 38 VAL H 1 38 VAL MG1 . . 4.050 3.883 3.838 3.917 . 0 0 "[ . 1 . 2]" 2
22 1 38 VAL H 1 38 VAL MG2 . . 3.380 2.900 2.614 3.010 . 0 0 "[ . 1 . 2]" 2
23 1 18 PRO HA 1 19 ALA H . . 2.870 2.240 2.166 2.327 . 0 0 "[ . 1 . 2]" 2
24 1 18 PRO QG 1 19 ALA H . . 4.630 4.458 4.293 4.618 . 0 0 "[ . 1 . 2]" 2
25 1 19 ALA H 1 19 ALA MB . . 3.140 2.302 2.025 2.777 . 0 0 "[ . 1 . 2]" 2
26 1 9 GLU H 1 9 GLU QG . . 4.480 3.876 2.277 4.129 . 0 0 "[ . 1 . 2]" 2
27 1 39 SER HA 1 40 ARG H . . 3.490 2.278 2.138 2.424 . 0 0 "[ . 1 . 2]" 2
28 1 28 TYR HA 1 40 ARG H . . 4.590 3.973 3.437 4.423 . 0 0 "[ . 1 . 2]" 2
29 1 28 TYR H 1 29 ALA H . . 4.630 4.460 4.375 4.537 . 0 0 "[ . 1 . 2]" 2
30 1 28 TYR QD 1 29 ALA H . . 3.920 3.543 3.018 3.900 . 0 0 "[ . 1 . 2]" 2
31 1 28 TYR HA 1 29 ALA H . . 2.840 2.353 2.224 2.518 . 0 0 "[ . 1 . 2]" 2
32 1 29 ALA H 1 39 SER HA . . 4.300 3.063 2.708 3.426 . 0 0 "[ . 1 . 2]" 2
33 1 29 ALA H 1 38 VAL HA . . 4.650 4.545 4.396 4.647 . 0 0 "[ . 1 . 2]" 2
34 1 28 TYR QB 1 29 ALA H . . 3.150 2.574 2.201 2.910 . 0 0 "[ . 1 . 2]" 2
35 1 29 ALA H 1 38 VAL HB . . 4.360 4.177 3.880 4.320 . 0 0 "[ . 1 . 2]" 2
36 1 29 ALA H 1 29 ALA MB . . 3.260 2.413 2.263 2.527 . 0 0 "[ . 1 . 2]" 2
37 1 16 LEU MD2 1 29 ALA H . . 4.420 4.269 4.021 4.426 0.006 5 0 "[ . 1 . 2]" 2
38 1 29 ALA H 1 38 VAL MG2 . . 5.100 4.993 4.835 5.099 . 0 0 "[ . 1 . 2]" 2
39 1 19 ALA HA 1 20 ARG H . . 3.550 2.354 2.142 3.569 0.019 4 0 "[ . 1 . 2]" 2
40 1 20 ARG H 1 20 ARG QG . . 4.720 2.696 1.949 3.271 . 0 0 "[ . 1 . 2]" 2
41 1 19 ALA MB 1 20 ARG H . . 4.380 3.145 2.229 3.673 . 0 0 "[ . 1 . 2]" 2
42 1 33 LEU H 1 36 ARG H . . 5.240 5.031 4.880 5.178 . 0 0 "[ . 1 . 2]" 2
43 1 31 CYS H 1 36 ARG H . . 3.850 3.296 3.160 3.512 . 0 0 "[ . 1 . 2]" 2
44 1 34 CYS HA 1 36 ARG H . . 5.170 5.065 4.902 5.175 0.005 14 0 "[ . 1 . 2]" 2
45 1 31 CYS HA 1 36 ARG H . . 4.760 4.733 4.659 4.786 0.026 15 0 "[ . 1 . 2]" 2
46 1 34 CYS HB2 1 36 ARG H . . 4.470 4.259 4.159 4.331 . 0 0 "[ . 1 . 2]" 2
47 1 36 ARG H 1 36 ARG QD . . 4.660 4.538 4.393 4.674 0.014 5 0 "[ . 1 . 2]" 2
48 1 31 CYS HB3 1 36 ARG H . . 3.090 1.940 1.886 2.017 . 0 0 "[ . 1 . 2]" 2
49 1 31 CYS HB2 1 36 ARG H . . 3.450 3.005 2.868 3.141 . 0 0 "[ . 1 . 2]" 2
50 1 36 ARG H 1 36 ARG HG2 . . 4.190 3.694 2.808 4.143 . 0 0 "[ . 1 . 2]" 2
51 1 36 ARG H 1 36 ARG HB2 . . 2.860 2.297 2.205 2.381 . 0 0 "[ . 1 . 2]" 2
52 1 36 ARG H 1 36 ARG HB3 . . 3.690 3.546 3.502 3.610 . 0 0 "[ . 1 . 2]" 2
53 1 30 THR MG 1 36 ARG H . . 4.390 4.181 3.876 4.400 0.010 15 0 "[ . 1 . 2]" 2
54 1 36 ARG H 1 38 VAL MG2 . . 5.050 4.633 4.461 4.802 . 0 0 "[ . 1 . 2]" 2
55 1 13 TYR QD 1 33 LEU H . . 5.240 4.897 4.664 5.107 . 0 0 "[ . 1 . 2]" 2
56 1 33 LEU H 1 34 CYS HA . . 5.350 4.990 4.885 5.093 . 0 0 "[ . 1 . 2]" 2
57 1 31 CYS HB3 1 33 LEU H . . 4.100 3.402 3.321 3.497 . 0 0 "[ . 1 . 2]" 2
58 1 13 TYR HB3 1 33 LEU H . . 4.460 3.758 3.595 3.957 . 0 0 "[ . 1 . 2]" 2
59 1 32 ARG HB3 1 33 LEU H . . 4.350 4.276 4.149 4.354 0.004 2 0 "[ . 1 . 2]" 2
60 1 32 ARG HG3 1 33 LEU H . . 4.610 4.575 4.481 4.677 0.067 14 0 "[ . 1 . 2]" 2
61 1 14 PHE HA 1 33 LEU H . . 4.740 4.648 4.456 4.751 0.011 12 0 "[ . 1 . 2]" 2
62 1 31 CYS HA 1 33 LEU H . . 3.820 3.448 3.339 3.588 . 0 0 "[ . 1 . 2]" 2
63 1 31 CYS HB2 1 33 LEU H . . 4.730 4.369 4.303 4.426 . 0 0 "[ . 1 . 2]" 2
64 1 33 LEU H 1 33 LEU HG . . 3.240 3.005 2.786 3.207 . 0 0 "[ . 1 . 2]" 2
65 1 33 LEU H 1 33 LEU HB3 . . 3.660 3.555 3.512 3.617 . 0 0 "[ . 1 . 2]" 2
66 1 33 LEU H 1 33 LEU HB2 . . 3.000 2.281 2.218 2.386 . 0 0 "[ . 1 . 2]" 2
67 1 33 LEU H 1 33 LEU MD2 . . 3.980 3.918 3.797 3.987 0.007 17 0 "[ . 1 . 2]" 2
68 1 33 LEU H 1 55 LEU MD2 . . 5.120 4.725 4.603 4.889 . 0 0 "[ . 1 . 2]" 2
69 1 33 LEU H 1 33 LEU MD1 . . 3.990 3.853 3.711 3.992 0.002 9 0 "[ . 1 . 2]" 2
70 1 60 ARG H 1 61 GLU H . . 3.200 2.776 2.688 2.873 . 0 0 "[ . 1 . 2]" 2
71 1 59 HIS HA 1 60 ARG H . . 3.240 2.997 2.956 3.061 . 0 0 "[ . 1 . 2]" 2
72 1 58 MET HA 1 60 ARG H . . 4.290 3.597 3.528 3.652 . 0 0 "[ . 1 . 2]" 2
73 1 60 ARG H 1 61 GLU HA . . 5.440 5.368 5.298 5.444 0.004 19 0 "[ . 1 . 2]" 2
74 1 60 ARG H 1 60 ARG HA . . 2.940 2.763 2.734 2.789 . 0 0 "[ . 1 . 2]" 2
75 1 59 HIS HB3 1 60 ARG H . . 4.630 4.465 4.446 4.483 . 0 0 "[ . 1 . 2]" 2
76 1 59 HIS HB2 1 60 ARG H . . 4.110 4.001 3.911 4.056 . 0 0 "[ . 1 . 2]" 2
77 1 60 ARG H 1 60 ARG HB2 . . 2.900 2.638 2.574 2.772 . 0 0 "[ . 1 . 2]" 2
78 1 60 ARG H 1 60 ARG HB3 . . 2.830 2.419 2.298 2.490 . 0 0 "[ . 1 . 2]" 2
79 1 60 ARG H 1 63 LEU MD1 . . 4.750 4.506 4.144 4.688 . 0 0 "[ . 1 . 2]" 2
80 1 9 GLU H 1 10 ALA H . . 4.210 2.400 2.135 2.846 . 0 0 "[ . 1 . 2]" 2
81 1 8 SER HA 1 10 ALA H . . 4.230 3.666 3.296 4.067 . 0 0 "[ . 1 . 2]" 2
82 1 10 ALA H 1 11 TRP HB2 . . 4.850 4.715 4.645 4.784 . 0 0 "[ . 1 . 2]" 2
83 1 9 GLU QG 1 10 ALA H . . 4.370 4.002 2.607 4.419 0.049 14 0 "[ . 1 . 2]" 2
84 1 10 ALA H 1 49 THR MG . . 5.290 5.088 4.850 5.281 . 0 0 "[ . 1 . 2]" 2
85 1 10 ALA H 1 10 ALA MB . . 3.030 2.192 2.039 2.235 . 0 0 "[ . 1 . 2]" 2
86 1 10 ALA H 1 52 TRP HH2 . . 4.600 4.432 3.834 4.610 0.010 10 0 "[ . 1 . 2]" 2
87 1 38 VAL HA 1 39 SER H . . 3.500 2.156 2.140 2.213 . 0 0 "[ . 1 . 2]" 2
88 1 38 VAL MG1 1 39 SER H . . 4.300 2.822 2.522 3.296 . 0 0 "[ . 1 . 2]" 2
89 1 37 GLN H 1 38 VAL H . . 4.670 4.481 4.364 4.577 . 0 0 "[ . 1 . 2]" 2
90 1 36 ARG H 1 37 GLN H . . 4.590 4.542 4.499 4.587 . 0 0 "[ . 1 . 2]" 2
91 1 36 ARG HA 1 37 GLN H . . 2.550 2.256 2.186 2.518 . 0 0 "[ . 1 . 2]" 2
92 1 37 GLN H 1 37 GLN HG2 . . 3.690 3.188 2.181 3.743 0.053 4 0 "[ . 1 . 2]" 2
93 1 37 GLN H 1 37 GLN HG3 . . 3.690 3.005 2.220 3.640 . 0 0 "[ . 1 . 2]" 2
94 1 37 GLN H 1 37 GLN HB2 . . 2.850 2.519 2.331 2.646 . 0 0 "[ . 1 . 2]" 2
95 1 36 ARG HB3 1 37 GLN H . . 3.200 2.909 2.202 3.103 . 0 0 "[ . 1 . 2]" 2
96 1 30 THR MG 1 37 GLN H . . 5.210 4.930 4.678 5.220 0.010 11 0 "[ . 1 . 2]" 2
97 1 61 GLU H 1 62 GLU H . . 3.140 2.543 2.438 2.606 . 0 0 "[ . 1 . 2]" 2
98 1 59 HIS HA 1 62 GLU H . . 3.890 3.124 3.003 3.189 . 0 0 "[ . 1 . 2]" 2
99 1 60 ARG HA 1 62 GLU H . . 4.700 4.552 4.330 4.700 . 11 0 "[ . 1 . 2]" 2
100 1 59 HIS HB3 1 62 GLU H . . 3.920 3.564 3.481 3.624 . 0 0 "[ . 1 . 2]" 2
101 1 59 HIS HB2 1 62 GLU H . . 4.790 4.755 4.645 4.800 0.010 2 0 "[ . 1 . 2]" 2
102 1 62 GLU H 1 62 GLU HG2 . . 4.680 4.374 3.848 4.631 . 0 0 "[ . 1 . 2]" 2
103 1 61 GLU HB2 1 62 GLU H . . 3.060 2.661 2.528 2.925 . 0 0 "[ . 1 . 2]" 2
104 1 62 GLU H 1 63 LEU HB2 . . 5.100 4.964 4.861 5.074 . 0 0 "[ . 1 . 2]" 2
105 1 62 GLU H 1 63 LEU HG . . 4.650 4.368 4.136 4.576 . 0 0 "[ . 1 . 2]" 2
106 1 62 GLU H 1 63 LEU MD1 . . 5.500 5.376 5.176 5.501 0.001 15 0 "[ . 1 . 2]" 2
107 1 62 GLU H 1 63 LEU MD2 . . 5.500 5.197 4.971 5.413 . 0 0 "[ . 1 . 2]" 2
108 1 33 LEU MD1 1 62 GLU H . . 5.420 5.275 5.020 5.421 0.001 6 0 "[ . 1 . 2]" 2
109 1 65 LYS H 1 66 SER HA . . 5.500 5.405 5.231 5.512 0.012 2 0 "[ . 1 . 2]" 2
110 1 17 ALA H 1 30 THR H . . 4.620 4.350 4.146 4.623 0.003 11 0 "[ . 1 . 2]" 2
111 1 14 PHE QD 1 30 THR H . . 4.480 4.222 4.052 4.410 . 0 0 "[ . 1 . 2]" 2
112 1 16 LEU HA 1 30 THR H . . 4.250 3.312 3.165 3.572 . 0 0 "[ . 1 . 2]" 2
113 1 30 THR H 1 30 THR HB . . 3.210 2.625 2.558 2.727 . 0 0 "[ . 1 . 2]" 2
114 1 14 PHE HB3 1 30 THR H . . 4.840 3.711 3.369 3.882 . 0 0 "[ . 1 . 2]" 2
115 1 30 THR H 1 30 THR MG . . 4.060 3.822 3.798 3.877 . 0 0 "[ . 1 . 2]" 2
116 1 15 HIS HD2 1 30 THR H . . 5.210 4.939 4.837 5.030 . 0 0 "[ . 1 . 2]" 2
117 1 14 PHE HA 1 30 THR H . . 4.630 4.476 4.293 4.615 . 0 0 "[ . 1 . 2]" 2
118 1 29 ALA HA 1 30 THR H . . 2.890 2.167 2.142 2.260 . 0 0 "[ . 1 . 2]" 2
119 1 29 ALA MB 1 30 THR H . . 3.300 3.054 2.716 3.222 . 0 0 "[ . 1 . 2]" 2
120 1 16 LEU MD2 1 30 THR H . . 4.660 4.295 3.948 4.546 . 0 0 "[ . 1 . 2]" 2
121 1 63 LEU H 1 66 SER QB . . 5.500 5.253 4.824 5.508 0.008 14 0 "[ . 1 . 2]" 2
122 1 65 LYS H 1 66 SER QB . . 5.500 4.770 4.634 5.054 . 0 0 "[ . 1 . 2]" 2
123 1 64 GLU QB 1 65 LYS H . . 3.360 2.511 2.250 3.307 . 0 0 "[ . 1 . 2]" 2
124 1 65 LYS H 1 65 LYS QB . . 2.730 2.277 2.160 2.558 . 0 0 "[ . 1 . 2]" 2
125 1 14 PHE HB2 1 30 THR H . . 5.500 5.336 4.958 5.514 0.014 14 0 "[ . 1 . 2]" 2
126 1 28 TYR QB 1 30 THR H . . 5.500 4.988 4.795 5.307 . 0 0 "[ . 1 . 2]" 2
127 1 15 HIS HB2 1 30 THR H . . 5.500 5.283 5.201 5.338 . 0 0 "[ . 1 . 2]" 2
128 1 15 HIS HB3 1 30 THR H . . 4.910 4.890 4.778 4.937 0.027 3 0 "[ . 1 . 2]" 2
129 1 66 SER QB 1 68 HIS H . . 4.920 3.644 2.761 4.914 . 0 0 "[ . 1 . 2]" 2
130 1 61 GLU H 1 63 LEU H . . 4.400 4.190 3.940 4.351 . 0 0 "[ . 1 . 2]" 2
131 1 59 HIS HA 1 63 LEU H . . 4.890 4.620 4.510 4.742 . 0 0 "[ . 1 . 2]" 2
132 1 59 HIS HB3 1 63 LEU H . . 4.250 3.688 3.436 3.950 . 0 0 "[ . 1 . 2]" 2
133 1 59 HIS HB2 1 63 LEU H . . 4.910 4.393 4.184 4.651 . 0 0 "[ . 1 . 2]" 2
134 1 65 LYS H 1 65 LYS QE . . 5.350 4.406 3.322 5.233 . 0 0 "[ . 1 . 2]" 2
135 1 64 GLU HG2 1 65 LYS H . . 5.020 4.693 2.356 4.971 . 0 0 "[ . 1 . 2]" 2
136 1 63 LEU H 1 63 LEU HB2 . . 2.860 2.553 2.452 2.665 . 0 0 "[ . 1 . 2]" 2
137 1 63 LEU H 1 63 LEU HG . . 2.870 2.155 2.017 2.418 . 0 0 "[ . 1 . 2]" 2
138 1 63 LEU H 1 63 LEU HB3 . . 3.770 3.588 3.583 3.605 . 0 0 "[ . 1 . 2]" 2
139 1 63 LEU H 1 63 LEU MD2 . . 3.430 3.155 2.964 3.312 . 0 0 "[ . 1 . 2]" 2
140 1 33 LEU MD1 1 63 LEU H . . 5.430 5.042 4.654 5.345 . 0 0 "[ . 1 . 2]" 2
141 1 64 GLU H 1 64 GLU HA . . 2.940 2.746 2.691 2.779 . 0 0 "[ . 1 . 2]" 2
142 1 60 ARG HA 1 64 GLU H . . 4.500 4.190 3.925 4.456 . 0 0 "[ . 1 . 2]" 2
143 1 64 GLU H 1 64 GLU HG2 . . 3.440 3.055 1.987 3.441 0.001 8 0 "[ . 1 . 2]" 2
144 1 64 GLU H 1 64 GLU HG3 . . 3.440 2.539 2.067 3.436 . 0 0 "[ . 1 . 2]" 2
145 1 64 GLU H 1 64 GLU QB . . 2.630 2.441 2.317 2.559 . 0 0 "[ . 1 . 2]" 2
146 1 64 GLU H 1 65 LYS QB . . 4.930 4.670 4.488 4.900 . 0 0 "[ . 1 . 2]" 2
147 1 63 LEU HB2 1 64 GLU H . . 3.220 2.200 2.057 2.307 . 0 0 "[ . 1 . 2]" 2
148 1 63 LEU HG 1 64 GLU H . . 4.250 4.121 4.013 4.187 . 0 0 "[ . 1 . 2]" 2
149 1 63 LEU HB3 1 64 GLU H . . 3.450 3.339 3.188 3.452 0.002 16 0 "[ . 1 . 2]" 2
150 1 63 LEU MD1 1 64 GLU H . . 4.180 4.133 3.943 4.189 0.009 12 0 "[ . 1 . 2]" 2
151 1 52 TRP H 1 52 TRP HD1 . . 3.720 2.816 2.680 2.920 . 0 0 "[ . 1 . 2]" 2
152 1 51 LEU H 1 52 TRP H . . 3.190 2.824 2.689 2.937 . 0 0 "[ . 1 . 2]" 2
153 1 49 THR HB 1 52 TRP H . . 4.280 2.671 2.458 3.359 . 0 0 "[ . 1 . 2]" 2
154 1 50 ALA HA 1 52 TRP H . . 4.730 4.550 4.218 4.734 0.004 12 0 "[ . 1 . 2]" 2
155 1 52 TRP H 1 52 TRP HB2 . . 3.100 2.422 2.320 2.546 . 0 0 "[ . 1 . 2]" 2
156 1 51 LEU HB2 1 52 TRP H . . 3.330 2.336 2.194 2.518 . 0 0 "[ . 1 . 2]" 2
157 1 51 LEU HG 1 52 TRP H . . 4.150 3.996 3.942 4.085 . 0 0 "[ . 1 . 2]" 2
158 1 51 LEU HB3 1 52 TRP H . . 3.780 3.592 3.461 3.782 0.002 10 0 "[ . 1 . 2]" 2
159 1 10 ALA MB 1 52 TRP H . . 4.220 2.907 2.697 3.208 . 0 0 "[ . 1 . 2]" 2
160 1 51 LEU MD1 1 52 TRP H . . 4.580 4.130 3.965 4.253 . 0 0 "[ . 1 . 2]" 2
161 1 52 TRP H 1 52 TRP HE3 . . 5.330 5.015 4.850 5.128 . 0 0 "[ . 1 . 2]" 2
162 1 52 TRP H 1 53 LYS QB . . 5.280 4.722 4.518 4.904 . 0 0 "[ . 1 . 2]" 2
163 1 52 TRP H 1 55 LEU HB2 . . 5.500 4.990 4.824 5.178 . 0 0 "[ . 1 . 2]" 2
164 1 48 THR MG 1 52 TRP H . . 4.360 3.955 3.638 4.357 . 0 0 "[ . 1 . 2]" 2
165 1 51 LEU MD2 1 52 TRP H . . 4.720 4.601 4.550 4.681 . 0 0 "[ . 1 . 2]" 2
166 1 52 TRP HE3 1 55 LEU H . . 5.270 5.259 5.150 5.282 0.012 7 0 "[ . 1 . 2]" 2
167 1 52 TRP HB3 1 53 LYS H . . 3.590 3.281 3.200 3.443 . 0 0 "[ . 1 . 2]" 2
168 1 52 TRP HB2 1 53 LYS H . . 3.310 2.478 2.308 2.747 . 0 0 "[ . 1 . 2]" 2
169 1 53 LYS H 1 53 LYS QB . . 2.600 2.368 2.214 2.571 . 0 0 "[ . 1 . 2]" 2
170 1 53 LYS H 1 56 LYS QD . . 4.730 3.978 3.779 4.238 . 0 0 "[ . 1 . 2]" 2
171 1 53 LYS H 1 53 LYS HG3 . . 4.140 2.668 1.912 3.669 . 0 0 "[ . 1 . 2]" 2
172 1 51 LEU HB2 1 53 LYS H . . 5.260 5.048 4.980 5.231 . 0 0 "[ . 1 . 2]" 2
173 1 53 LYS H 1 53 LYS QE . . 5.240 4.296 3.297 4.980 . 0 0 "[ . 1 . 2]" 2
174 1 55 LEU H 1 59 HIS HB2 . . 5.500 4.749 4.680 4.889 . 0 0 "[ . 1 . 2]" 2
175 1 14 PHE HZ 1 55 LEU H . . 4.370 3.650 3.436 3.846 . 0 0 "[ . 1 . 2]" 2
176 1 52 TRP HA 1 55 LEU H . . 3.340 3.198 3.042 3.287 . 0 0 "[ . 1 . 2]" 2
177 1 55 LEU H 1 55 LEU HB3 . . 3.530 3.580 3.573 3.585 0.055 6 0 "[ . 1 . 2]" 2
178 1 55 LEU H 1 63 LEU MD2 . . 5.210 5.069 4.874 5.197 . 0 0 "[ . 1 . 2]" 2
179 1 14 PHE QE 1 55 LEU H . . 4.560 4.148 3.884 4.401 . 0 0 "[ . 1 . 2]" 2
180 1 55 LEU H 1 59 HIS HD2 . . 4.580 4.227 4.123 4.426 . 0 0 "[ . 1 . 2]" 2
181 1 54 HIS HB3 1 55 LEU H . . 3.190 2.613 2.492 2.798 . 0 0 "[ . 1 . 2]" 2
182 1 55 LEU H 1 55 LEU MD1 . . 3.610 3.418 3.315 3.510 . 0 0 "[ . 1 . 2]" 2
183 1 14 PHE H 1 15 HIS H . . 4.560 4.368 4.327 4.395 . 0 0 "[ . 1 . 2]" 2
184 1 15 HIS H 1 29 ALA MB . . 4.300 3.578 3.462 3.747 . 0 0 "[ . 1 . 2]" 2
185 1 15 HIS H 1 32 ARG HG3 . . 4.570 3.265 3.017 3.615 . 0 0 "[ . 1 . 2]" 2
186 1 15 HIS H 1 32 ARG H . . 4.440 4.192 3.851 4.445 0.005 18 0 "[ . 1 . 2]" 2
187 1 14 PHE QD 1 15 HIS H . . 4.240 3.856 3.713 4.014 . 0 0 "[ . 1 . 2]" 2
188 1 15 HIS H 1 15 HIS HD2 . . 4.510 3.908 3.754 3.987 . 0 0 "[ . 1 . 2]" 2
189 1 14 PHE HA 1 15 HIS H . . 2.980 2.319 2.250 2.362 . 0 0 "[ . 1 . 2]" 2
190 1 15 HIS H 1 30 THR HB . . 4.130 3.058 2.973 3.150 . 0 0 "[ . 1 . 2]" 2
191 1 15 HIS H 1 31 CYS HA . . 4.450 3.859 3.745 3.984 . 0 0 "[ . 1 . 2]" 2
192 1 15 HIS H 1 15 HIS HB2 . . 3.950 3.917 3.870 3.936 . 0 0 "[ . 1 . 2]" 2
193 1 15 HIS H 1 15 HIS HB3 . . 3.640 2.948 2.846 2.988 . 0 0 "[ . 1 . 2]" 2
194 1 14 PHE HB3 1 15 HIS H . . 3.980 2.645 2.535 2.846 . 0 0 "[ . 1 . 2]" 2
195 1 15 HIS H 1 16 LEU H . . 4.740 4.218 4.152 4.290 . 0 0 "[ . 1 . 2]" 2
196 1 15 HIS H 1 31 CYS H . . 5.260 4.535 4.383 4.673 . 0 0 "[ . 1 . 2]" 2
197 1 54 HIS H 1 56 LYS H . . 4.320 4.170 3.959 4.278 . 0 0 "[ . 1 . 2]" 2
198 1 54 HIS H 1 55 LEU H . . 2.870 2.541 2.315 2.646 . 0 0 "[ . 1 . 2]" 2
199 1 52 TRP H 1 54 HIS H . . 4.600 4.302 4.123 4.470 . 0 0 "[ . 1 . 2]" 2
200 1 14 PHE HZ 1 54 HIS H . . 4.580 4.504 4.293 4.586 0.006 3 0 "[ . 1 . 2]" 2
201 1 14 PHE QE 1 54 HIS H . . 5.440 5.144 4.952 5.247 . 0 0 "[ . 1 . 2]" 2
202 1 54 HIS H 1 55 LEU HA . . 5.310 5.166 4.980 5.248 . 0 0 "[ . 1 . 2]" 2
203 1 54 HIS H 1 54 HIS HB3 . . 2.870 2.451 2.404 2.496 . 0 0 "[ . 1 . 2]" 2
204 1 54 HIS H 1 54 HIS HB2 . . 2.900 2.658 2.583 2.782 . 0 0 "[ . 1 . 2]" 2
205 1 52 TRP HB2 1 54 HIS H . . 5.000 4.981 4.821 5.013 0.013 12 0 "[ . 1 . 2]" 2
206 1 53 LYS QB 1 54 HIS H . . 3.050 2.623 2.504 2.880 . 0 0 "[ . 1 . 2]" 2
207 1 53 LYS HG2 1 54 HIS H . . 5.500 5.085 4.872 5.380 . 0 0 "[ . 1 . 2]" 2
208 1 54 HIS H 1 56 LYS QD . . 5.500 5.186 4.939 5.339 . 0 0 "[ . 1 . 2]" 2
209 1 53 LYS HG3 1 54 HIS H . . 5.500 4.640 4.189 5.062 . 0 0 "[ . 1 . 2]" 2
210 1 48 THR MG 1 54 HIS H . . 5.500 5.401 5.029 5.527 0.027 18 0 "[ . 1 . 2]" 2
211 1 50 ALA MB 1 54 HIS H . . 5.500 5.006 4.717 5.260 . 0 0 "[ . 1 . 2]" 2
212 1 54 HIS H 1 55 LEU MD1 . . 5.000 4.911 4.750 5.013 0.013 12 0 "[ . 1 . 2]" 2
213 1 12 GLU H 1 13 TYR HB2 . . 5.230 5.099 5.034 5.166 . 0 0 "[ . 1 . 2]" 2
214 1 12 GLU H 1 13 TYR QD . . 3.980 3.642 3.478 3.824 . 0 0 "[ . 1 . 2]" 2
215 1 12 GLU H 1 13 TYR QE . . 4.740 4.554 4.385 4.678 . 0 0 "[ . 1 . 2]" 2
216 1 11 TRP HB3 1 12 GLU H . . 4.030 3.577 3.480 3.719 . 0 0 "[ . 1 . 2]" 2
217 1 10 ALA HA 1 12 GLU H . . 4.260 3.743 3.570 3.869 . 0 0 "[ . 1 . 2]" 2
218 1 11 TRP HB2 1 12 GLU H . . 3.830 3.041 2.973 3.116 . 0 0 "[ . 1 . 2]" 2
219 1 12 GLU H 1 12 GLU QG . . 3.140 2.139 2.030 2.315 . 0 0 "[ . 1 . 2]" 2
220 1 10 ALA MB 1 12 GLU H . . 4.540 4.388 4.341 4.454 . 0 0 "[ . 1 . 2]" 2
221 1 44 VAL H 1 44 VAL MG1 . . 4.800 2.682 1.883 3.869 . 0 0 "[ . 1 . 2]" 2
222 1 59 HIS H 1 59 HIS HD2 . . 3.800 3.254 3.091 3.383 . 0 0 "[ . 1 . 2]" 2
223 1 55 LEU HA 1 59 HIS H . . 3.270 2.901 2.802 3.066 . 0 0 "[ . 1 . 2]" 2
224 1 59 HIS H 1 59 HIS HB3 . . 3.860 3.657 3.639 3.670 . 0 0 "[ . 1 . 2]" 2
225 1 59 HIS H 1 59 HIS HB2 . . 3.150 2.521 2.492 2.559 . 0 0 "[ . 1 . 2]" 2
226 1 58 MET HB2 1 59 HIS H . . 4.350 3.880 3.777 3.996 . 0 0 "[ . 1 . 2]" 2
227 1 58 MET HB3 1 59 HIS H . . 4.610 3.920 3.854 3.982 . 0 0 "[ . 1 . 2]" 2
228 1 59 HIS H 1 60 ARG HB3 . . 5.180 5.120 4.929 5.184 0.004 13 0 "[ . 1 . 2]" 2
229 1 59 HIS H 1 63 LEU HG . . 5.320 5.110 4.918 5.265 . 0 0 "[ . 1 . 2]" 2
230 1 58 MET HG2 1 59 HIS H . . 3.800 2.893 2.731 3.157 . 0 0 "[ . 1 . 2]" 2
231 1 58 MET HG3 1 59 HIS H . . 3.800 2.097 1.896 2.267 . 0 0 "[ . 1 . 2]" 2
232 1 59 HIS H 1 63 LEU MD1 . . 5.100 4.640 4.410 4.854 . 0 0 "[ . 1 . 2]" 2
233 1 55 LEU MD2 1 59 HIS H . . 4.440 4.332 4.172 4.449 0.009 13 0 "[ . 1 . 2]" 2
234 1 54 HIS HA 1 59 HIS H . . 5.500 5.364 5.291 5.430 . 0 0 "[ . 1 . 2]" 2
235 1 57 SER HA 1 59 HIS H . . 5.500 5.145 5.041 5.243 . 0 0 "[ . 1 . 2]" 2
236 1 33 LEU MD1 1 59 HIS H . . 5.020 4.757 4.568 4.858 . 0 0 "[ . 1 . 2]" 2
237 1 61 GLU H 1 61 GLU HB2 . . 2.800 2.352 2.196 2.545 . 0 0 "[ . 1 . 2]" 2
238 1 60 ARG HB3 1 61 GLU H . . 3.340 2.786 2.661 2.884 . 0 0 "[ . 1 . 2]" 2
239 1 59 HIS H 1 61 GLU H . . 5.180 5.080 4.987 5.168 . 0 0 "[ . 1 . 2]" 2
240 1 59 HIS HA 1 61 GLU H . . 3.980 3.421 3.325 3.518 . 0 0 "[ . 1 . 2]" 2
241 1 59 HIS HB3 1 61 GLU H . . 5.080 4.930 4.798 5.045 . 0 0 "[ . 1 . 2]" 2
242 1 61 GLU H 1 61 GLU QG . . 3.320 2.597 2.338 2.902 . 0 0 "[ . 1 . 2]" 2
243 1 51 LEU H 1 53 LYS H . . 4.450 4.418 4.247 4.495 0.045 12 0 "[ . 1 . 2]" 2
244 1 49 THR HB 1 51 LEU H . . 4.420 3.015 2.175 3.298 . 0 0 "[ . 1 . 2]" 2
245 1 51 LEU H 1 52 TRP HB2 . . 4.850 4.769 4.609 4.851 0.001 8 0 "[ . 1 . 2]" 2
246 1 50 ALA MB 1 51 LEU H . . 3.500 2.775 2.598 3.047 . 0 0 "[ . 1 . 2]" 2
247 1 49 THR MG 1 51 LEU H . . 3.510 2.333 1.877 3.598 0.088 18 0 "[ . 1 . 2]" 2
248 1 51 LEU H 1 51 LEU HB2 . . 3.830 2.677 2.636 2.723 . 0 0 "[ . 1 . 2]" 2
249 1 51 LEU H 1 51 LEU HG . . 3.160 1.924 1.889 1.977 . 0 0 "[ . 1 . 2]" 2
250 1 51 LEU H 1 51 LEU HB3 . . 3.710 3.576 3.571 3.582 . 0 0 "[ . 1 . 2]" 2
251 1 51 LEU H 1 51 LEU MD2 . . 3.890 3.093 2.873 3.257 . 0 0 "[ . 1 . 2]" 2
252 1 49 THR HA 1 51 LEU H . . 4.090 3.844 3.652 3.932 . 0 0 "[ . 1 . 2]" 2
253 1 10 ALA MB 1 51 LEU H . . 4.640 4.166 3.941 4.618 . 0 0 "[ . 1 . 2]" 2
254 1 51 LEU H 1 51 LEU MD1 . . 3.950 3.440 3.358 3.502 . 0 0 "[ . 1 . 2]" 2
255 1 16 LEU MD2 1 28 TYR H . . 4.740 3.862 3.265 4.599 . 0 0 "[ . 1 . 2]" 2
256 1 27 GLN H 1 28 TYR H . . 4.360 2.468 2.035 3.014 . 0 0 "[ . 1 . 2]" 2
257 1 28 TYR H 1 28 TYR QD . . 3.640 3.188 2.881 3.545 . 0 0 "[ . 1 . 2]" 2
258 1 28 TYR H 1 28 TYR QE . . 5.500 5.360 5.128 5.498 . 0 0 "[ . 1 . 2]" 2
259 1 28 TYR H 1 39 SER HA . . 5.500 5.297 4.900 5.504 0.004 4 0 "[ . 1 . 2]" 2
260 1 28 TYR H 1 28 TYR QB . . 3.220 2.479 2.368 2.798 . 0 0 "[ . 1 . 2]" 2
261 1 17 ALA MB 1 28 TYR H . . 4.470 4.051 3.387 4.476 0.006 16 0 "[ . 1 . 2]" 2
262 1 56 LYS H 1 58 MET H . . 4.420 4.387 4.213 4.443 0.023 9 0 "[ . 1 . 2]" 2
263 1 58 MET H 1 60 ARG H . . 3.990 3.474 3.308 3.595 . 0 0 "[ . 1 . 2]" 2
264 1 58 MET H 1 59 HIS HD2 . . 4.590 4.291 4.065 4.413 . 0 0 "[ . 1 . 2]" 2
265 1 58 MET H 1 59 HIS HB2 . . 4.410 4.177 4.132 4.243 . 0 0 "[ . 1 . 2]" 2
266 1 58 MET H 1 58 MET ME . . 4.630 4.423 4.313 4.513 . 0 0 "[ . 1 . 2]" 2
267 1 56 LYS QB 1 58 MET H . . 5.440 5.114 5.057 5.188 . 0 0 "[ . 1 . 2]" 2
268 1 58 MET H 1 58 MET HG2 . . 3.360 2.572 2.445 2.675 . 0 0 "[ . 1 . 2]" 2
269 1 55 LEU MD2 1 58 MET H . . 5.500 5.384 5.286 5.510 0.010 14 0 "[ . 1 . 2]" 2
270 1 58 MET H 1 59 HIS HA . . 4.760 4.610 4.572 4.650 . 0 0 "[ . 1 . 2]" 2
271 1 57 SER QB 1 58 MET H . . 3.180 2.627 2.502 2.723 . 0 0 "[ . 1 . 2]" 2
272 1 58 MET H 1 58 MET HB3 . . 3.110 3.061 2.974 3.127 0.017 10 0 "[ . 1 . 2]" 2
273 1 58 MET H 1 58 MET HG3 . . 3.360 2.888 2.541 3.110 . 0 0 "[ . 1 . 2]" 2
274 1 55 LEU H 1 56 LYS H . . 3.270 2.737 2.642 2.826 . 0 0 "[ . 1 . 2]" 2
275 1 52 TRP HE3 1 56 LYS H . . 4.840 4.431 4.122 4.709 . 0 0 "[ . 1 . 2]" 2
276 1 52 TRP HA 1 56 LYS H . . 3.940 3.798 3.616 3.931 . 0 0 "[ . 1 . 2]" 2
277 1 53 LYS HA 1 56 LYS H . . 3.910 3.836 3.717 3.939 0.029 18 0 "[ . 1 . 2]" 2
278 1 55 LEU HB2 1 56 LYS H . . 3.270 2.500 2.409 2.785 . 0 0 "[ . 1 . 2]" 2
279 1 56 LYS H 1 56 LYS QB . . 2.810 2.547 2.481 2.649 . 0 0 "[ . 1 . 2]" 2
280 1 56 LYS H 1 56 LYS QD . . 3.330 3.156 2.929 3.285 . 0 0 "[ . 1 . 2]" 2
281 1 56 LYS H 1 56 LYS HG3 . . 3.560 2.134 1.888 2.342 . 0 0 "[ . 1 . 2]" 2
282 1 55 LEU HB3 1 56 LYS H . . 3.870 3.495 3.384 3.746 . 0 0 "[ . 1 . 2]" 2
283 1 55 LEU MD2 1 56 LYS H . . 5.010 4.709 4.643 4.782 . 0 0 "[ . 1 . 2]" 2
284 1 14 PHE H 1 32 ARG H . . 4.680 3.814 3.702 3.934 . 0 0 "[ . 1 . 2]" 2
285 1 14 PHE H 1 14 PHE QD . . 3.410 3.047 2.795 3.266 . 0 0 "[ . 1 . 2]" 2
286 1 13 TYR QD 1 14 PHE H . . 4.730 4.610 4.512 4.681 . 0 0 "[ . 1 . 2]" 2
287 1 11 TRP HA 1 14 PHE H . . 3.540 3.537 3.478 3.560 0.020 12 0 "[ . 1 . 2]" 2
288 1 13 TYR HA 1 14 PHE H . . 3.560 3.062 3.051 3.080 . 0 0 "[ . 1 . 2]" 2
289 1 11 TRP HB3 1 14 PHE H . . 5.000 4.633 4.546 4.679 . 0 0 "[ . 1 . 2]" 2
290 1 14 PHE H 1 31 CYS HA . . 5.410 4.583 4.443 4.752 . 0 0 "[ . 1 . 2]" 2
291 1 14 PHE H 1 14 PHE HB2 . . 3.440 2.883 2.838 2.919 . 0 0 "[ . 1 . 2]" 2
292 1 14 PHE H 1 32 ARG HB3 . . 5.500 5.409 5.204 5.504 0.004 8 0 "[ . 1 . 2]" 2
293 1 14 PHE H 1 32 ARG HG3 . . 4.120 3.502 3.035 3.894 . 0 0 "[ . 1 . 2]" 2
294 1 56 LYS H 1 56 LYS QE . . 4.790 4.604 4.201 4.822 0.032 19 0 "[ . 1 . 2]" 2
295 1 56 LYS H 1 63 LEU MD1 . . 4.050 2.802 2.603 3.053 . 0 0 "[ . 1 . 2]" 2
296 1 55 LEU MD1 1 56 LYS H . . 4.820 4.300 4.168 4.563 . 0 0 "[ . 1 . 2]" 2
297 1 31 CYS H 1 34 CYS H . . 5.500 5.416 5.353 5.512 0.012 18 0 "[ . 1 . 2]" 2
298 1 32 ARG H 1 34 CYS H . . 4.850 4.621 4.468 4.779 . 0 0 "[ . 1 . 2]" 2
299 1 33 LEU H 1 34 CYS H . . 2.830 2.415 2.289 2.546 . 0 0 "[ . 1 . 2]" 2
300 1 32 ARG HA 1 34 CYS H . . 4.910 4.734 4.611 4.844 . 0 0 "[ . 1 . 2]" 2
301 1 34 CYS H 1 35 GLY HA2 . . 4.340 4.238 4.112 4.333 . 0 0 "[ . 1 . 2]" 2
302 1 31 CYS HA 1 34 CYS H . . 4.850 4.725 4.645 4.849 . 0 0 "[ . 1 . 2]" 2
303 1 34 CYS H 1 34 CYS HB2 . . 3.960 3.736 3.696 3.801 . 0 0 "[ . 1 . 2]" 2
304 1 31 CYS HB3 1 34 CYS H . . 3.410 2.796 2.652 2.926 . 0 0 "[ . 1 . 2]" 2
305 1 34 CYS H 1 34 CYS HB3 . . 3.760 2.998 2.937 3.081 . 0 0 "[ . 1 . 2]" 2
306 1 31 CYS HB2 1 34 CYS H . . 4.340 4.260 4.208 4.312 . 0 0 "[ . 1 . 2]" 2
307 1 34 CYS H 1 36 ARG HB2 . . 5.110 5.003 4.795 5.115 0.005 14 0 "[ . 1 . 2]" 2
308 1 33 LEU HB3 1 34 CYS H . . 3.340 3.182 3.004 3.353 0.013 7 0 "[ . 1 . 2]" 2
309 1 33 LEU HB2 1 34 CYS H . . 3.110 2.488 2.384 2.586 . 0 0 "[ . 1 . 2]" 2
310 1 13 TYR H 1 14 PHE QD . . 3.570 2.824 2.629 3.036 . 0 0 "[ . 1 . 2]" 2
311 1 13 TYR H 1 13 TYR QD . . 2.950 2.422 2.197 2.691 . 0 0 "[ . 1 . 2]" 2
312 1 13 TYR H 1 13 TYR QE . . 4.480 4.356 4.200 4.489 0.009 10 0 "[ . 1 . 2]" 2
313 1 13 TYR H 1 14 PHE HA . . 5.000 4.940 4.828 5.021 0.021 11 0 "[ . 1 . 2]" 2
314 1 11 TRP HA 1 13 TYR H . . 3.740 3.512 3.358 3.681 . 0 0 "[ . 1 . 2]" 2
315 1 11 TRP HB3 1 13 TYR H . . 5.010 4.884 4.758 5.038 0.028 11 0 "[ . 1 . 2]" 2
316 1 10 ALA HA 1 13 TYR H . . 4.170 3.745 3.667 3.923 . 0 0 "[ . 1 . 2]" 2
317 1 13 TYR H 1 13 TYR HB3 . . 3.880 3.727 3.692 3.777 . 0 0 "[ . 1 . 2]" 2
318 1 13 TYR H 1 14 PHE HB2 . . 4.620 4.175 4.050 4.275 . 0 0 "[ . 1 . 2]" 2
319 1 13 TYR H 1 13 TYR HB2 . . 3.000 2.649 2.595 2.706 . 0 0 "[ . 1 . 2]" 2
320 1 12 GLU QG 1 13 TYR H . . 4.370 4.125 2.378 4.340 . 0 0 "[ . 1 . 2]" 2
321 1 13 TYR H 1 33 LEU HG . . 5.500 5.473 5.397 5.513 0.013 12 0 "[ . 1 . 2]" 2
322 1 13 TYR H 1 55 LEU MD2 . . 4.770 4.374 4.205 4.481 . 0 0 "[ . 1 . 2]" 2
323 1 13 TYR H 1 55 LEU MD1 . . 4.050 3.996 3.819 4.067 0.017 17 0 "[ . 1 . 2]" 2
324 1 66 SER H 1 66 SER QB . . 3.310 2.319 2.170 2.504 . 0 0 "[ . 1 . 2]" 2
325 1 65 LYS QB 1 66 SER H . . 3.800 2.529 2.229 3.515 . 0 0 "[ . 1 . 2]" 2
326 1 33 LEU H 1 35 GLY H . . 3.660 3.478 3.302 3.677 0.017 14 0 "[ . 1 . 2]" 2
327 1 31 CYS H 1 35 GLY H . . 4.240 4.144 4.071 4.218 . 0 0 "[ . 1 . 2]" 2
328 1 32 ARG HA 1 35 GLY H . . 4.590 4.552 4.451 4.608 0.018 18 0 "[ . 1 . 2]" 2
329 1 35 GLY H 1 35 GLY HA2 . . 2.720 2.421 2.398 2.438 . 0 0 "[ . 1 . 2]" 2
330 1 31 CYS HA 1 35 GLY H . . 4.630 4.509 4.405 4.617 . 0 0 "[ . 1 . 2]" 2
331 1 34 CYS HB2 1 35 GLY H . . 4.480 3.753 3.634 3.888 . 0 0 "[ . 1 . 2]" 2
332 1 31 CYS HB3 1 35 GLY H . . 3.330 1.960 1.888 2.051 . 0 0 "[ . 1 . 2]" 2
333 1 30 THR MG 1 35 GLY H . . 4.400 4.380 4.307 4.413 0.013 16 0 "[ . 1 . 2]" 2
334 1 33 LEU HB2 1 35 GLY H . . 4.420 4.337 4.208 4.423 0.003 10 0 "[ . 1 . 2]" 2
335 1 31 CYS HB2 1 35 GLY H . . 3.800 3.709 3.643 3.802 0.002 14 0 "[ . 1 . 2]" 2
336 1 35 GLY H 1 36 ARG HB2 . . 4.550 4.012 3.950 4.168 . 0 0 "[ . 1 . 2]" 2
337 1 11 TRP H 1 11 TRP HE1 . . 5.470 5.277 5.194 5.362 . 0 0 "[ . 1 . 2]" 2
338 1 11 TRP H 1 12 GLU HA . . 5.390 5.301 5.196 5.328 . 0 0 "[ . 1 . 2]" 2
339 1 11 TRP H 1 11 TRP HB3 . . 3.760 3.531 3.518 3.548 . 0 0 "[ . 1 . 2]" 2
340 1 11 TRP H 1 11 TRP HB2 . . 2.890 2.247 2.221 2.287 . 0 0 "[ . 1 . 2]" 2
341 1 9 GLU QG 1 11 TRP H . . 5.500 5.024 4.391 5.514 0.014 14 0 "[ . 1 . 2]" 2
342 1 11 TRP H 1 12 GLU QG . . 4.300 4.143 4.090 4.240 . 0 0 "[ . 1 . 2]" 2
343 1 11 TRP H 1 49 THR MG . . 5.270 4.621 4.191 5.023 . 0 0 "[ . 1 . 2]" 2
344 1 11 TRP H 1 51 LEU HB2 . . 5.500 4.719 4.515 5.264 . 0 0 "[ . 1 . 2]" 2
345 1 10 ALA MB 1 11 TRP H . . 3.350 2.827 2.646 3.123 . 0 0 "[ . 1 . 2]" 2
346 1 11 TRP H 1 51 LEU MD1 . . 4.780 3.047 2.757 3.828 . 0 0 "[ . 1 . 2]" 2
347 1 14 PHE QE 1 31 CYS H . . 4.060 3.798 3.545 4.055 . 0 0 "[ . 1 . 2]" 2
348 1 31 CYS H 1 35 GLY HA3 . . 5.500 5.384 5.191 5.500 . 0 0 "[ . 1 . 2]" 2
349 1 31 CYS H 1 35 GLY HA2 . . 4.100 3.891 3.679 4.034 . 0 0 "[ . 1 . 2]" 2
350 1 31 CYS H 1 31 CYS HB3 . . 3.020 2.749 2.690 2.837 . 0 0 "[ . 1 . 2]" 2
351 1 31 CYS H 1 31 CYS HB2 . . 3.060 2.327 2.255 2.376 . 0 0 "[ . 1 . 2]" 2
352 1 31 CYS H 1 36 ARG HB3 . . 5.160 5.007 4.875 5.197 0.037 7 0 "[ . 1 . 2]" 2
353 1 30 THR MG 1 31 CYS H . . 3.320 2.879 2.631 3.032 . 0 0 "[ . 1 . 2]" 2
354 1 31 CYS H 1 38 VAL MG2 . . 4.180 3.885 3.618 4.041 . 0 0 "[ . 1 . 2]" 2
355 1 14 PHE QD 1 31 CYS H . . 4.250 3.045 2.802 3.236 . 0 0 "[ . 1 . 2]" 2
356 1 31 CYS H 1 36 ARG HB2 . . 4.610 4.479 4.304 4.622 0.012 14 0 "[ . 1 . 2]" 2
357 1 14 PHE QD 1 32 ARG H . . 4.200 4.104 3.951 4.197 . 0 0 "[ . 1 . 2]" 2
358 1 13 TYR HA 1 32 ARG H . . 4.290 3.448 3.211 3.651 . 0 0 "[ . 1 . 2]" 2
359 1 14 PHE HB2 1 32 ARG H . . 5.290 4.955 4.739 5.086 . 0 0 "[ . 1 . 2]" 2
360 1 14 PHE QE 1 32 ARG H . . 5.500 4.989 4.893 5.046 . 0 0 "[ . 1 . 2]" 2
361 1 15 HIS HD2 1 32 ARG H . . 5.500 5.174 4.819 5.398 . 0 0 "[ . 1 . 2]" 2
362 1 14 PHE HA 1 32 ARG H . . 3.290 2.274 2.002 2.474 . 0 0 "[ . 1 . 2]" 2
363 1 31 CYS HA 1 32 ARG H . . 2.760 2.146 2.139 2.179 . 0 0 "[ . 1 . 2]" 2
364 1 31 CYS HB3 1 32 ARG H . . 4.260 4.112 4.006 4.183 . 0 0 "[ . 1 . 2]" 2
365 1 13 TYR HB3 1 32 ARG H . . 4.960 3.914 3.726 4.173 . 0 0 "[ . 1 . 2]" 2
366 1 31 CYS HB2 1 32 ARG H . . 4.610 4.393 4.221 4.519 . 0 0 "[ . 1 . 2]" 2
367 1 32 ARG H 1 32 ARG HB3 . . 3.670 3.617 3.598 3.649 . 0 0 "[ . 1 . 2]" 2
368 1 32 ARG H 1 32 ARG HB2 . . 3.210 2.482 2.388 2.560 . 0 0 "[ . 1 . 2]" 2
369 1 32 ARG H 1 32 ARG HG3 . . 3.340 2.377 2.211 2.591 . 0 0 "[ . 1 . 2]" 2
370 1 32 ARG H 1 33 LEU HB2 . . 4.720 4.403 4.317 4.525 . 0 0 "[ . 1 . 2]" 2
371 1 16 LEU MD1 1 26 ASN HD22 . . 5.100 2.722 1.892 4.105 . 0 0 "[ . 1 . 2]" 2
372 1 16 LEU MD1 1 26 ASN HD21 . . 5.100 2.752 1.775 4.623 . 0 0 "[ . 1 . 2]" 2
373 1 57 SER H 1 58 MET HG2 . . 5.290 4.416 4.266 4.535 . 0 0 "[ . 1 . 2]" 2
374 1 57 SER H 1 58 MET HB3 . . 5.320 5.191 5.087 5.282 . 0 0 "[ . 1 . 2]" 2
375 1 56 LYS H 1 57 SER H . . 3.000 2.462 2.285 2.525 . 0 0 "[ . 1 . 2]" 2
376 1 55 LEU H 1 57 SER H . . 4.240 3.726 3.631 3.807 . 0 0 "[ . 1 . 2]" 2
377 1 57 SER H 1 58 MET HA . . 5.190 5.033 5.009 5.060 . 0 0 "[ . 1 . 2]" 2
378 1 57 SER H 1 57 SER HA . . 2.920 2.892 2.885 2.899 . 0 0 "[ . 1 . 2]" 2
379 1 53 LYS HA 1 57 SER H . . 4.650 4.489 4.376 4.596 . 0 0 "[ . 1 . 2]" 2
380 1 57 SER H 1 57 SER QB . . 2.780 2.257 2.159 2.304 . 0 0 "[ . 1 . 2]" 2
381 1 55 LEU HB2 1 57 SER H . . 4.950 4.566 4.499 4.757 . 0 0 "[ . 1 . 2]" 2
382 1 56 LYS QB 1 57 SER H . . 3.470 3.237 3.215 3.255 . 0 0 "[ . 1 . 2]" 2
383 1 56 LYS HG3 1 57 SER H . . 4.460 4.327 4.152 4.438 . 0 0 "[ . 1 . 2]" 2
384 1 57 SER H 1 58 MET HG3 . . 5.290 4.992 4.535 5.271 . 0 0 "[ . 1 . 2]" 2
385 1 49 THR MG 1 52 TRP HE1 . . 4.850 4.534 4.225 4.758 . 0 0 "[ . 1 . 2]" 2
386 1 10 ALA MB 1 52 TRP HE1 . . 3.590 2.753 2.349 3.119 . 0 0 "[ . 1 . 2]" 2
387 1 8 SER HA 1 11 TRP HE1 . . 4.400 4.322 3.995 4.406 0.006 12 0 "[ . 1 . 2]" 2
388 1 11 TRP HB2 1 11 TRP HE1 . . 4.990 4.751 4.749 4.755 . 0 0 "[ . 1 . 2]" 2
389 1 10 ALA H 1 52 TRP HE1 . . 4.220 2.775 2.502 3.194 . 0 0 "[ . 1 . 2]" 2
390 1 52 TRP HA 1 52 TRP HE1 . . 5.500 5.417 5.336 5.489 . 0 0 "[ . 1 . 2]" 2
391 1 11 TRP HE1 1 49 THR MG . . 3.430 3.169 2.785 3.434 0.004 18 0 "[ . 1 . 2]" 2
392 1 16 LEU H 1 17 ALA H . . 4.780 4.612 4.573 4.638 . 0 0 "[ . 1 . 2]" 2
393 1 17 ALA H 1 29 ALA HA . . 3.960 3.827 3.253 3.970 0.010 12 0 "[ . 1 . 2]" 2
394 1 16 LEU HA 1 17 ALA H . . 2.700 2.226 2.175 2.298 . 0 0 "[ . 1 . 2]" 2
395 1 17 ALA H 1 18 PRO HD2 . . 5.370 4.818 4.764 4.840 . 0 0 "[ . 1 . 2]" 2
396 1 17 ALA H 1 18 PRO HD3 . . 5.370 4.996 4.887 5.087 . 0 0 "[ . 1 . 2]" 2
397 1 16 LEU QB 1 17 ALA H . . 3.410 2.855 2.627 3.043 . 0 0 "[ . 1 . 2]" 2
398 1 17 ALA H 1 17 ALA MB . . 2.910 2.263 2.159 2.322 . 0 0 "[ . 1 . 2]" 2
399 1 16 LEU MD2 1 17 ALA H . . 3.670 3.289 2.890 3.456 . 0 0 "[ . 1 . 2]" 2
400 1 66 SER QB 1 67 GLY H . . 3.830 2.761 1.923 3.843 0.013 17 0 "[ . 1 . 2]" 2
401 1 15 HIS H 1 30 THR H . . 3.650 2.588 2.348 2.716 . 0 0 "[ . 1 . 2]" 2
402 1 32 ARG H 1 33 LEU H . . 3.180 2.498 2.360 2.601 . 0 0 "[ . 1 . 2]" 2
403 1 34 CYS H 1 35 GLY H . . 2.660 2.029 1.878 2.153 . 0 0 "[ . 1 . 2]" 2
404 1 34 CYS H 1 59 HIS HE1 . . 3.780 3.657 3.506 3.772 . 0 0 "[ . 1 . 2]" 2
405 1 62 GLU H 1 63 LEU H . . 2.930 2.766 2.628 2.926 . 0 0 "[ . 1 . 2]" 2
406 1 63 LEU H 1 64 GLU H . . 3.310 2.866 2.634 3.043 . 0 0 "[ . 1 . 2]" 2
407 1 64 GLU H 1 65 LYS H . . 3.520 2.890 2.760 3.022 . 0 0 "[ . 1 . 2]" 2
408 1 59 HIS H 1 60 ARG H . . 2.780 2.767 2.692 2.798 0.018 14 0 "[ . 1 . 2]" 2
409 1 52 TRP H 1 53 LYS H . . 3.370 2.953 2.817 3.103 . 0 0 "[ . 1 . 2]" 2
410 1 10 ALA H 1 52 TRP HZ2 . . 3.770 2.666 2.052 2.854 . 0 0 "[ . 1 . 2]" 2
411 1 11 TRP H 1 12 GLU H . . 3.240 2.744 2.638 2.767 . 0 0 "[ . 1 . 2]" 2
412 1 13 TYR H 1 14 PHE H . . 2.830 2.477 2.346 2.589 . 0 0 "[ . 1 . 2]" 2
413 1 10 ALA H 1 11 TRP H . . 3.090 2.759 2.674 2.822 . 0 0 "[ . 1 . 2]" 2
414 1 11 TRP HE1 1 51 LEU MD1 . . 4.710 3.629 3.255 4.231 . 0 0 "[ . 1 . 2]" 2
415 1 34 CYS HB3 1 59 HIS HE1 . . 3.160 2.404 2.222 2.526 . 0 0 "[ . 1 . 2]" 2
416 1 33 LEU HB3 1 59 HIS HE1 . . 4.130 2.295 2.192 2.395 . 0 0 "[ . 1 . 2]" 2
417 1 33 LEU HB2 1 59 HIS HE1 . . 4.060 3.316 2.948 3.559 . 0 0 "[ . 1 . 2]" 2
418 1 24 HIS HE1 1 26 ASN HB3 . . 4.670 3.976 2.715 4.686 0.016 14 0 "[ . 1 . 2]" 2
419 1 15 HIS HE1 1 17 ALA MB . . 4.800 2.990 2.435 3.568 . 0 0 "[ . 1 . 2]" 2
420 1 66 SER QB 1 68 HIS HE1 . . 5.500 5.073 4.235 5.500 . 11 0 "[ . 1 . 2]" 2
421 1 13 TYR HA 1 13 TYR QD . . 3.440 3.004 2.875 3.113 . 0 0 "[ . 1 . 2]" 2
422 1 10 ALA HA 1 13 TYR QD . . 3.490 2.096 1.997 2.293 . 0 0 "[ . 1 . 2]" 2
423 1 13 TYR QD 1 33 LEU HG . . 3.800 2.080 1.993 2.285 . 0 0 "[ . 1 . 2]" 2
424 1 13 TYR QD 1 33 LEU MD2 . . 3.590 2.162 1.964 2.419 . 0 0 "[ . 1 . 2]" 2
425 1 13 TYR QD 1 55 LEU MD2 . . 3.820 2.939 2.812 3.064 . 0 0 "[ . 1 . 2]" 2
426 1 13 TYR QD 1 55 LEU MD1 . . 3.500 2.351 2.225 2.502 . 0 0 "[ . 1 . 2]" 2
427 1 13 TYR QD 1 33 LEU MD1 . . 3.450 2.101 1.937 2.521 . 0 0 "[ . 1 . 2]" 2
428 1 27 GLN HG2 1 28 TYR QD . . 4.350 3.119 1.997 3.790 . 0 0 "[ . 1 . 2]" 2
429 1 27 GLN HG3 1 28 TYR QD . . 4.350 2.257 1.997 3.289 . 0 0 "[ . 1 . 2]" 2
430 1 28 TYR QD 1 37 GLN HB3 . . 3.940 2.464 2.074 3.432 . 0 0 "[ . 1 . 2]" 2
431 1 17 ALA MB 1 28 TYR QD . . 5.500 5.353 4.915 5.505 0.005 5 0 "[ . 1 . 2]" 2
432 1 28 TYR QD 1 29 ALA MB . . 5.500 5.088 4.672 5.332 . 0 0 "[ . 1 . 2]" 2
433 1 28 TYR HA 1 28 TYR QD . . 3.810 2.812 2.405 3.094 . 0 0 "[ . 1 . 2]" 2
434 1 28 TYR QD 1 39 SER HA . . 4.160 3.599 2.920 4.016 . 0 0 "[ . 1 . 2]" 2
435 1 28 TYR QD 1 39 SER HB2 . . 4.710 3.722 2.804 4.293 . 0 0 "[ . 1 . 2]" 2
436 1 28 TYR QD 1 37 GLN HB2 . . 4.480 3.545 2.774 4.481 0.001 6 0 "[ . 1 . 2]" 2
437 1 14 PHE QE 1 29 ALA MB . . 4.630 4.174 3.983 4.330 . 0 0 "[ . 1 . 2]" 2
438 1 13 TYR HB2 1 14 PHE QE . . 4.320 2.515 2.122 2.873 . 0 0 "[ . 1 . 2]" 2
439 1 14 PHE QE 1 55 LEU HG . . 3.530 2.217 2.048 2.425 . 0 0 "[ . 1 . 2]" 2
440 1 14 PHE QE 1 38 VAL MG2 . . 3.310 2.114 1.922 2.273 . 0 0 "[ . 1 . 2]" 2
441 1 14 PHE QE 1 51 LEU MD2 . . 4.230 3.094 2.747 3.343 . 0 0 "[ . 1 . 2]" 2
442 1 13 TYR HB3 1 14 PHE QE . . 4.670 3.766 3.349 4.162 . 0 0 "[ . 1 . 2]" 2
443 1 14 PHE HZ 1 38 VAL MG1 . . 4.880 4.382 3.999 4.799 . 0 0 "[ . 1 . 2]" 2
444 1 14 PHE HZ 1 38 VAL MG2 . . 4.050 3.549 2.935 3.887 . 0 0 "[ . 1 . 2]" 2
445 1 14 PHE HZ 1 51 LEU MD2 . . 4.720 3.711 3.399 3.971 . 0 0 "[ . 1 . 2]" 2
446 1 52 TRP HA 1 52 TRP HD1 . . 4.440 4.263 4.190 4.347 . 0 0 "[ . 1 . 2]" 2
447 1 49 THR HB 1 52 TRP HD1 . . 3.750 2.122 1.996 3.390 . 0 0 "[ . 1 . 2]" 2
448 1 48 THR HA 1 52 TRP HD1 . . 3.900 3.369 3.090 3.709 . 0 0 "[ . 1 . 2]" 2
449 1 52 TRP HB2 1 52 TRP HD1 . . 3.600 2.584 2.574 2.603 . 0 0 "[ . 1 . 2]" 2
450 1 48 THR MG 1 52 TRP HD1 . . 4.850 3.369 2.683 4.036 . 0 0 "[ . 1 . 2]" 2
451 1 49 THR MG 1 52 TRP HD1 . . 4.190 3.746 3.591 4.082 . 0 0 "[ . 1 . 2]" 2
452 1 51 LEU HB2 1 52 TRP HD1 . . 4.620 4.084 3.840 4.268 . 0 0 "[ . 1 . 2]" 2
453 1 10 ALA MB 1 52 TRP HD1 . . 4.240 3.095 2.876 3.370 . 0 0 "[ . 1 . 2]" 2
454 1 54 HIS HD2 1 59 HIS HD2 . . 3.380 2.852 2.565 3.066 . 0 0 "[ . 1 . 2]" 2
455 1 55 LEU HA 1 59 HIS HD2 . . 3.100 2.035 1.988 2.279 . 0 0 "[ . 1 . 2]" 2
456 1 59 HIS HB3 1 59 HIS HD2 . . 3.920 3.753 3.706 3.804 . 0 0 "[ . 1 . 2]" 2
457 1 59 HIS HB2 1 59 HIS HD2 . . 3.510 2.701 2.691 2.720 . 0 0 "[ . 1 . 2]" 2
458 1 55 LEU HG 1 59 HIS HD2 . . 4.260 3.867 3.623 4.221 . 0 0 "[ . 1 . 2]" 2
459 1 58 MET HG2 1 59 HIS HD2 . . 4.420 3.274 2.950 3.596 . 0 0 "[ . 1 . 2]" 2
460 1 58 MET HG3 1 59 HIS HD2 . . 4.420 2.911 2.748 3.181 . 0 0 "[ . 1 . 2]" 2
461 1 33 LEU MD2 1 59 HIS HD2 . . 5.500 5.252 5.058 5.454 . 0 0 "[ . 1 . 2]" 2
462 1 59 HIS HD2 1 63 LEU MD1 . . 5.500 5.382 5.195 5.512 0.012 14 0 "[ . 1 . 2]" 2
463 1 59 HIS HD2 1 63 LEU MD2 . . 5.500 5.347 5.200 5.496 . 0 0 "[ . 1 . 2]" 2
464 1 55 LEU MD2 1 59 HIS HD2 . . 3.120 2.262 1.984 2.496 . 0 0 "[ . 1 . 2]" 2
465 1 33 LEU MD1 1 59 HIS HD2 . . 4.080 2.780 2.607 3.119 . 0 0 "[ . 1 . 2]" 2
466 1 8 SER HA 1 11 TRP HD1 . . 3.610 2.891 2.265 3.585 . 0 0 "[ . 1 . 2]" 2
467 1 8 SER HB2 1 11 TRP HD1 . . 4.200 2.678 1.999 4.096 . 0 0 "[ . 1 . 2]" 2
468 1 8 SER HB3 1 11 TRP HD1 . . 4.200 3.132 2.000 4.146 . 0 0 "[ . 1 . 2]" 2
469 1 11 TRP HB2 1 11 TRP HD1 . . 3.570 2.550 2.546 2.560 . 0 0 "[ . 1 . 2]" 2
470 1 11 TRP HD1 1 49 THR MG . . 4.450 4.006 3.540 4.311 . 0 0 "[ . 1 . 2]" 2
471 1 14 PHE QD 1 54 HIS HD2 . . 5.020 4.932 4.827 5.032 0.012 16 0 "[ . 1 . 2]" 2
472 1 54 HIS HD2 1 55 LEU H . . 4.520 4.036 3.745 4.256 . 0 0 "[ . 1 . 2]" 2
473 1 14 PHE QE 1 54 HIS HD2 . . 3.810 2.980 2.803 3.136 . 0 0 "[ . 1 . 2]" 2
474 1 54 HIS HB3 1 54 HIS HD2 . . 3.870 2.713 2.698 2.739 . 0 0 "[ . 1 . 2]" 2
475 1 31 CYS HB3 1 54 HIS HD2 . . 4.700 4.575 4.405 4.699 . 0 0 "[ . 1 . 2]" 2
476 1 31 CYS HB2 1 54 HIS HD2 . . 4.170 3.660 3.430 3.884 . 0 0 "[ . 1 . 2]" 2
477 1 54 HIS HD2 1 55 LEU HG . . 4.180 3.763 3.432 3.973 . 0 0 "[ . 1 . 2]" 2
478 1 38 VAL MG2 1 54 HIS HD2 . . 4.310 3.553 3.228 3.772 . 0 0 "[ . 1 . 2]" 2
479 1 9 GLU QG 1 52 TRP HH2 . . 4.430 3.741 1.937 4.450 0.020 12 0 "[ . 1 . 2]" 2
480 1 52 TRP HH2 1 63 LEU MD2 . . 4.490 3.908 3.604 4.378 . 0 0 "[ . 1 . 2]" 2
481 1 11 TRP HH2 1 16 LEU HG . . 4.870 3.604 2.963 4.217 . 0 0 "[ . 1 . 2]" 2
482 1 11 TRP HH2 1 16 LEU MD2 . . 3.630 2.242 1.968 2.571 . 0 0 "[ . 1 . 2]" 2
483 1 11 TRP HH2 1 51 LEU MD1 . . 4.790 3.901 3.331 4.161 . 0 0 "[ . 1 . 2]" 2
484 1 34 CYS HA 1 59 HIS HE1 . . 3.980 3.820 3.647 3.985 0.005 12 0 "[ . 1 . 2]" 2
485 1 33 LEU HA 1 34 CYS HA . . 5.100 4.555 4.542 4.566 . 0 0 "[ . 1 . 2]" 2
486 1 34 CYS HA 1 35 GLY HA3 . . 5.460 4.523 4.515 4.529 . 0 0 "[ . 1 . 2]" 2
487 1 52 TRP HZ3 1 71 SER QB . . 4.670 3.862 3.408 4.544 . 0 0 "[ . 1 . 2]" 2
488 1 52 TRP HZ3 1 55 LEU HB2 . . 4.890 4.774 4.625 4.896 0.006 18 0 "[ . 1 . 2]" 2
489 1 52 TRP HZ3 1 56 LYS HG2 . . 5.500 4.922 3.957 5.425 . 0 0 "[ . 1 . 2]" 2
490 1 52 TRP HZ3 1 56 LYS QD . . 5.500 4.978 4.299 5.535 0.035 12 0 "[ . 1 . 2]" 2
491 1 52 TRP HZ3 1 63 LEU HG . . 5.500 4.927 4.689 5.351 . 0 0 "[ . 1 . 2]" 2
492 1 52 TRP HZ3 1 55 LEU MD1 . . 4.120 3.602 3.295 3.892 . 0 0 "[ . 1 . 2]" 2
493 1 11 TRP HE3 1 16 LEU MD1 . . 5.440 4.974 4.513 5.302 . 0 0 "[ . 1 . 2]" 2
494 1 11 TRP HE3 1 16 LEU MD2 . . 5.500 4.643 4.238 5.012 . 0 0 "[ . 1 . 2]" 2
495 1 11 TRP HZ3 1 14 PHE HB3 . . 4.650 3.303 3.189 3.480 . 0 0 "[ . 1 . 2]" 2
496 1 11 TRP HZ3 1 16 LEU HG . . 4.580 2.837 2.437 3.366 . 0 0 "[ . 1 . 2]" 2
497 1 11 TRP HE3 1 14 PHE HB3 . . 4.230 3.482 3.377 3.634 . 0 0 "[ . 1 . 2]" 2
498 1 11 TRP HE3 1 29 ALA MB . . 4.760 3.754 3.575 3.928 . 0 0 "[ . 1 . 2]" 2
499 1 11 TRP HA 1 11 TRP HZ3 . . 4.800 4.574 4.433 4.759 . 0 0 "[ . 1 . 2]" 2
500 1 14 PHE HA 1 14 PHE QD . . 4.050 3.051 2.897 3.172 . 0 0 "[ . 1 . 2]" 2
501 1 14 PHE HA 1 14 PHE QE . . 4.780 4.679 4.620 4.735 . 0 0 "[ . 1 . 2]" 2
502 1 14 PHE HA 1 32 ARG HG2 . . 4.800 4.121 3.716 4.436 . 0 0 "[ . 1 . 2]" 2
503 1 14 PHE HA 1 32 ARG HG3 . . 3.960 2.484 2.223 2.811 . 0 0 "[ . 1 . 2]" 2
504 1 28 TYR HA 1 29 ALA MB . . 4.630 3.891 3.823 3.946 . 0 0 "[ . 1 . 2]" 2
505 1 52 TRP HA 1 52 TRP HE3 . . 3.190 2.775 2.666 2.865 . 0 0 "[ . 1 . 2]" 2
506 1 52 TRP HE3 1 71 SER QB . . 4.780 4.486 3.656 4.760 . 0 0 "[ . 1 . 2]" 2
507 1 52 TRP HB3 1 52 TRP HE3 . . 3.750 2.742 2.688 2.777 . 0 0 "[ . 1 . 2]" 2
508 1 52 TRP HE3 1 56 LYS QE . . 4.120 3.273 1.978 4.027 . 0 0 "[ . 1 . 2]" 2
509 1 52 TRP HE3 1 55 LEU HB2 . . 3.890 3.257 3.057 3.361 . 0 0 "[ . 1 . 2]" 2
510 1 52 TRP HE3 1 56 LYS QB . . 5.260 4.936 4.519 5.236 . 0 0 "[ . 1 . 2]" 2
511 1 52 TRP HE3 1 56 LYS HG2 . . 4.310 3.807 3.068 4.275 . 0 0 "[ . 1 . 2]" 2
512 1 52 TRP HE3 1 56 LYS QD . . 4.460 3.019 2.336 3.637 . 0 0 "[ . 1 . 2]" 2
513 1 52 TRP HE3 1 56 LYS HG3 . . 4.450 2.996 2.620 3.329 . 0 0 "[ . 1 . 2]" 2
514 1 52 TRP HE3 1 55 LEU HB3 . . 4.320 4.202 3.926 4.323 0.003 10 0 "[ . 1 . 2]" 2
515 1 52 TRP HE3 1 55 LEU MD1 . . 3.790 3.014 2.668 3.372 . 0 0 "[ . 1 . 2]" 2
516 1 66 SER QB 1 68 HIS HD2 . . 4.300 2.727 1.920 3.899 . 0 0 "[ . 1 . 2]" 2
517 1 9 GLU QG 1 68 HIS HD2 . . 5.500 5.158 3.721 5.510 0.010 14 0 "[ . 1 . 2]" 2
518 1 28 TYR QE 1 39 SER HB2 . . 4.490 3.444 2.110 4.026 . 0 0 "[ . 1 . 2]" 2
519 1 28 TYR QE 1 39 SER HA . . 4.770 4.497 4.010 4.764 . 0 0 "[ . 1 . 2]" 2
520 1 13 TYR QE 1 55 LEU HB3 . . 5.500 5.451 5.294 5.510 0.010 4 0 "[ . 1 . 2]" 2
521 1 13 TYR QE 1 62 GLU HG2 . . 5.120 3.891 3.161 5.080 . 0 0 "[ . 1 . 2]" 2
522 1 13 TYR QE 1 63 LEU HA . . 5.500 4.951 4.388 5.331 . 0 0 "[ . 1 . 2]" 2
523 1 13 TYR QE 1 62 GLU HG3 . . 5.120 4.064 3.432 5.115 . 0 0 "[ . 1 . 2]" 2
524 1 12 GLU QG 1 13 TYR QE . . 4.580 4.325 2.352 4.585 0.005 17 0 "[ . 1 . 2]" 2
525 1 12 GLU HB3 1 13 TYR QE . . 4.780 4.604 4.471 4.693 . 0 0 "[ . 1 . 2]" 2
526 1 13 TYR QE 1 33 LEU MD2 . . 3.700 3.063 2.858 3.279 . 0 0 "[ . 1 . 2]" 2
527 1 13 TYR QE 1 55 LEU MD2 . . 4.390 3.861 3.692 4.055 . 0 0 "[ . 1 . 2]" 2
528 1 10 ALA HA 1 13 TYR QE . . 4.030 2.863 2.691 3.104 . 0 0 "[ . 1 . 2]" 2
529 1 13 TYR QE 1 33 LEU HG . . 4.730 4.345 4.242 4.567 . 0 0 "[ . 1 . 2]" 2
530 1 13 TYR QE 1 33 LEU MD1 . . 3.670 3.313 3.055 3.494 . 0 0 "[ . 1 . 2]" 2
531 1 55 LEU HA 1 59 HIS HA . . 5.400 4.761 4.685 4.890 . 0 0 "[ . 1 . 2]" 2
532 1 59 HIS HA 1 60 ARG HA . . 5.500 4.819 4.788 4.857 . 0 0 "[ . 1 . 2]" 2
533 1 33 LEU MD1 1 59 HIS HA . . 4.680 4.313 4.116 4.449 . 0 0 "[ . 1 . 2]" 2
534 1 9 GLU HA 1 52 TRP HZ2 . . 4.810 4.628 4.260 4.813 0.003 5 0 "[ . 1 . 2]" 2
535 1 7 GLY HA3 1 52 TRP HZ2 . . 4.850 4.421 3.767 4.842 . 0 0 "[ . 1 . 2]" 2
536 1 52 TRP HZ2 1 71 SER QB . . 4.650 4.069 3.352 4.628 . 0 0 "[ . 1 . 2]" 2
537 1 10 ALA HA 1 52 TRP HZ2 . . 4.590 4.199 3.862 4.595 0.005 12 0 "[ . 1 . 2]" 2
538 1 9 GLU HB2 1 52 TRP HZ2 . . 4.190 3.184 1.984 4.196 0.006 2 0 "[ . 1 . 2]" 2
539 1 10 ALA MB 1 52 TRP HZ2 . . 4.150 3.453 3.034 3.584 . 0 0 "[ . 1 . 2]" 2
540 1 16 LEU HA 1 29 ALA HA . . 4.180 2.556 2.365 2.691 . 0 0 "[ . 1 . 2]" 2
541 1 11 TRP HZ2 1 49 THR MG . . 4.170 3.930 3.186 4.175 0.005 5 0 "[ . 1 . 2]" 2
542 1 11 TRP HZ2 1 16 LEU MD1 . . 4.810 4.430 3.918 4.816 0.006 12 0 "[ . 1 . 2]" 2
543 1 11 TRP HZ2 1 16 LEU MD2 . . 5.160 3.980 3.634 4.398 . 0 0 "[ . 1 . 2]" 2
544 1 11 TRP HZ2 1 51 LEU MD1 . . 4.580 3.715 3.411 4.029 . 0 0 "[ . 1 . 2]" 2
545 1 30 THR MG 1 35 GLY HA2 . . 3.600 2.696 2.536 2.801 . 0 0 "[ . 1 . 2]" 2
546 1 69 GLY QA 1 70 GLN QG . . 4.750 3.962 3.146 4.753 0.003 4 0 "[ . 1 . 2]" 2
547 1 14 PHE HB2 1 15 HIS H . . 4.150 3.798 3.686 3.971 . 0 0 "[ . 1 . 2]" 2
548 1 11 TRP HE3 1 14 PHE HB2 . . 4.190 2.487 2.378 2.665 . 0 0 "[ . 1 . 2]" 2
549 1 11 TRP HZ3 1 14 PHE HB2 . . 4.720 3.504 3.377 3.677 . 0 0 "[ . 1 . 2]" 2
550 1 14 PHE H 1 14 PHE HB3 . . 3.920 3.915 3.891 3.935 0.015 20 0 "[ . 1 . 2]" 2
551 1 11 TRP HH2 1 40 ARG QD . . 4.540 2.695 1.992 3.673 . 0 0 "[ . 1 . 2]" 2
552 1 40 ARG QD 1 44 VAL HB . . 4.900 4.098 2.782 4.872 . 0 0 "[ . 1 . 2]" 2
553 1 40 ARG HA 1 40 ARG QD . . 4.350 3.853 2.125 4.383 0.033 7 0 "[ . 1 . 2]" 2
554 1 29 ALA MB 1 40 ARG QD . . 4.340 3.970 2.867 4.362 0.022 8 0 "[ . 1 . 2]" 2
555 1 40 ARG QD 1 44 VAL MG1 . . 4.390 3.103 1.967 4.320 . 0 0 "[ . 1 . 2]" 2
556 1 40 ARG QD 1 44 VAL MG2 . . 4.390 3.285 1.894 4.423 0.033 12 0 "[ . 1 . 2]" 2
557 1 40 ARG QD 1 51 LEU MD1 . . 4.690 3.969 3.157 4.488 . 0 0 "[ . 1 . 2]" 2
558 1 40 ARG QD 1 51 LEU MD2 . . 4.480 3.874 2.485 4.479 . 0 0 "[ . 1 . 2]" 2
559 1 60 ARG HA 1 60 ARG QD . . 4.390 3.975 2.397 4.293 . 0 0 "[ . 1 . 2]" 2
560 1 60 ARG HB2 1 60 ARG QD . . 3.790 2.627 2.218 3.217 . 0 0 "[ . 1 . 2]" 2
561 1 36 ARG QD 1 54 HIS HE1 . . 3.580 2.948 2.374 3.588 0.008 15 0 "[ . 1 . 2]" 2
562 1 60 ARG QD 1 61 GLU QG . . 4.820 4.107 2.039 4.823 0.003 14 0 "[ . 1 . 2]" 2
563 1 36 ARG HB3 1 36 ARG QD . . 3.070 2.262 2.054 2.607 . 0 0 "[ . 1 . 2]" 2
564 1 36 ARG QD 1 37 GLN H . . 4.470 4.035 2.937 4.473 0.003 8 0 "[ . 1 . 2]" 2
565 1 36 ARG QD 1 38 VAL MG2 . . 4.730 4.294 4.090 4.711 . 0 0 "[ . 1 . 2]" 2
566 1 32 ARG HB3 1 32 ARG HD2 . . 4.040 3.645 3.006 3.918 . 0 0 "[ . 1 . 2]" 2
567 1 32 ARG HB2 1 32 ARG HD2 . . 3.740 3.296 2.449 3.742 0.002 8 0 "[ . 1 . 2]" 2
568 1 32 ARG HA 1 32 ARG HD3 . . 5.020 4.556 4.318 4.697 . 0 0 "[ . 1 . 2]" 2
569 1 32 ARG HB3 1 32 ARG HD3 . . 4.040 2.842 2.423 3.268 . 0 0 "[ . 1 . 2]" 2
570 1 32 ARG HB2 1 32 ARG HD3 . . 3.740 2.469 2.182 3.093 . 0 0 "[ . 1 . 2]" 2
571 1 11 TRP HZ3 1 16 LEU QB . . 5.000 4.680 4.353 5.005 0.005 10 0 "[ . 1 . 2]" 2
572 1 15 HIS HA 1 16 LEU QB . . 4.670 4.349 4.268 4.424 . 0 0 "[ . 1 . 2]" 2
573 1 16 LEU QB 1 17 ALA MB . . 4.840 4.379 4.225 4.495 . 0 0 "[ . 1 . 2]" 2
574 1 16 LEU QB 1 29 ALA MB . . 5.340 4.872 4.643 5.055 . 0 0 "[ . 1 . 2]" 2
575 1 55 LEU H 1 55 LEU HB2 . . 3.750 2.448 2.371 2.573 . 0 0 "[ . 1 . 2]" 2
576 1 55 LEU HB2 1 55 LEU MD1 . . 3.580 2.223 2.073 2.337 . 0 0 "[ . 1 . 2]" 2
577 1 55 LEU HB2 1 56 LYS QD . . 5.050 4.076 3.882 4.258 . 0 0 "[ . 1 . 2]" 2
578 1 55 LEU HB2 1 63 LEU HG . . 5.190 4.188 3.977 4.397 . 0 0 "[ . 1 . 2]" 2
579 1 55 LEU HB3 1 63 LEU HG . . 4.570 2.823 2.633 3.017 . 0 0 "[ . 1 . 2]" 2
580 1 50 ALA HA 1 53 LYS QE . . 4.740 3.642 1.790 4.620 . 0 0 "[ . 1 . 2]" 2
581 1 53 LYS QB 1 53 LYS QE . . 4.280 3.274 2.062 3.773 . 0 0 "[ . 1 . 2]" 2
582 1 65 LYS QB 1 65 LYS QE . . 4.440 2.514 1.993 3.724 . 0 0 "[ . 1 . 2]" 2
583 1 48 THR MG 1 53 LYS QE . . 3.990 2.940 1.886 3.994 0.004 20 0 "[ . 1 . 2]" 2
584 1 52 TRP HZ3 1 56 LYS QE . . 5.100 4.571 3.501 5.117 0.017 10 0 "[ . 1 . 2]" 2
585 1 52 TRP HA 1 56 LYS QE . . 5.500 4.847 3.672 5.530 0.030 5 0 "[ . 1 . 2]" 2
586 1 56 LYS QB 1 56 LYS QE . . 3.840 3.098 2.460 3.698 . 0 0 "[ . 1 . 2]" 2
587 1 56 LYS QE 1 56 LYS HG2 . . 3.330 2.290 2.069 2.887 . 0 0 "[ . 1 . 2]" 2
588 1 56 LYS QE 1 56 LYS HG3 . . 3.730 3.011 2.478 3.379 . 0 0 "[ . 1 . 2]" 2
589 1 56 LYS QE 1 63 LEU MD1 . . 4.200 3.290 2.561 3.752 . 0 0 "[ . 1 . 2]" 2
590 1 55 LEU HB2 1 59 HIS HB2 . . 4.790 4.134 4.023 4.319 . 0 0 "[ . 1 . 2]" 2
591 1 63 LEU HB2 1 64 GLU QB . . 4.670 4.381 3.983 4.528 . 0 0 "[ . 1 . 2]" 2
592 1 60 ARG HA 1 63 LEU HB3 . . 4.990 4.832 4.521 4.992 0.002 6 0 "[ . 1 . 2]" 2
593 1 28 TYR QB 1 37 GLN HB2 . . 4.550 4.341 3.762 4.556 0.006 8 0 "[ . 1 . 2]" 2
594 1 28 TYR QB 1 37 GLN HB3 . . 3.960 2.753 2.159 3.010 . 0 0 "[ . 1 . 2]" 2
595 1 17 ALA MB 1 28 TYR QB . . 4.170 3.760 3.531 4.012 . 0 0 "[ . 1 . 2]" 2
596 1 33 LEU HB3 1 33 LEU MD2 . . 3.650 2.321 2.210 2.359 . 0 0 "[ . 1 . 2]" 2
597 1 33 LEU HB3 1 33 LEU MD1 . . 3.520 2.424 2.329 2.512 . 0 0 "[ . 1 . 2]" 2
598 1 33 LEU HB2 1 33 LEU MD1 . . 3.570 2.243 2.138 2.371 . 0 0 "[ . 1 . 2]" 2
599 1 13 TYR HB3 1 14 PHE QD . . 4.320 3.962 3.642 4.293 . 0 0 "[ . 1 . 2]" 2
600 1 13 TYR HB3 1 55 LEU MD1 . . 4.050 3.840 3.619 4.068 0.018 12 0 "[ . 1 . 2]" 2
601 1 13 TYR HB2 1 14 PHE H . . 4.730 3.906 3.877 3.922 . 0 0 "[ . 1 . 2]" 2
602 1 13 TYR HB2 1 14 PHE QD . . 4.070 2.578 2.291 2.903 . 0 0 "[ . 1 . 2]" 2
603 1 13 TYR HB2 1 55 LEU MD1 . . 3.910 2.676 2.458 2.836 . 0 0 "[ . 1 . 2]" 2
604 1 49 THR HA 1 51 LEU HB2 . . 5.500 5.385 5.324 5.456 . 0 0 "[ . 1 . 2]" 2
605 1 14 PHE QE 1 51 LEU HB2 . . 4.530 3.787 3.564 4.109 . 0 0 "[ . 1 . 2]" 2
606 1 49 THR HB 1 51 LEU HB2 . . 4.540 2.887 2.785 3.000 . 0 0 "[ . 1 . 2]" 2
607 1 14 PHE QE 1 51 LEU HB3 . . 4.330 2.454 2.139 2.770 . 0 0 "[ . 1 . 2]" 2
608 1 14 PHE QD 1 51 LEU HB3 . . 4.340 2.929 2.507 3.271 . 0 0 "[ . 1 . 2]" 2
609 1 30 THR HB 1 31 CYS H . . 4.810 4.282 4.232 4.331 . 0 0 "[ . 1 . 2]" 2
610 1 15 HIS HD2 1 30 THR HB . . 4.540 2.706 2.600 2.798 . 0 0 "[ . 1 . 2]" 2
611 1 29 ALA HA 1 30 THR HB . . 4.990 4.744 4.684 4.814 . 0 0 "[ . 1 . 2]" 2
612 1 17 ALA MB 1 30 THR HB . . 5.360 4.578 4.300 4.970 . 0 0 "[ . 1 . 2]" 2
613 1 29 ALA MB 1 30 THR HB . . 5.500 5.117 4.994 5.219 . 0 0 "[ . 1 . 2]" 2
614 1 49 THR HB 1 52 TRP HE1 . . 4.620 3.635 3.140 4.637 0.017 18 0 "[ . 1 . 2]" 2
615 1 49 THR HB 1 51 LEU HG . . 4.660 3.549 2.285 3.759 . 0 0 "[ . 1 . 2]" 2
616 1 49 THR HB 1 51 LEU HB3 . . 4.870 4.622 4.280 4.749 . 0 0 "[ . 1 . 2]" 2
617 1 10 ALA MB 1 49 THR HB . . 3.640 2.911 2.588 3.363 . 0 0 "[ . 1 . 2]" 2
618 1 49 THR HB 1 51 LEU MD1 . . 4.170 3.339 2.497 3.634 . 0 0 "[ . 1 . 2]" 2
619 1 61 GLU QG 1 62 GLU H . . 4.410 4.218 4.090 4.377 . 0 0 "[ . 1 . 2]" 2
620 1 9 GLU QG 1 12 GLU H . . 5.360 4.316 3.916 5.310 . 0 0 "[ . 1 . 2]" 2
621 1 9 GLU QG 1 52 TRP HZ2 . . 4.070 3.757 1.822 4.064 . 0 0 "[ . 1 . 2]" 2
622 1 62 GLU H 1 62 GLU HG3 . . 4.680 4.295 3.855 4.609 . 0 0 "[ . 1 . 2]" 2
623 1 64 GLU HG3 1 65 LYS H . . 5.020 4.316 2.041 4.753 . 0 0 "[ . 1 . 2]" 2
624 1 33 LEU MD2 1 62 GLU HG2 . . 4.220 2.739 2.324 3.673 . 0 0 "[ . 1 . 2]" 2
625 1 12 GLU HA 1 12 GLU QG . . 3.840 2.702 2.342 3.336 . 0 0 "[ . 1 . 2]" 2
626 1 48 THR HA 1 52 TRP H . . 5.500 5.461 5.297 5.516 0.016 12 0 "[ . 1 . 2]" 2
627 1 48 THR HA 1 52 TRP HB2 . . 4.520 3.809 3.549 4.281 . 0 0 "[ . 1 . 2]" 2
628 1 37 GLN HA 1 38 VAL HB . . 4.670 4.611 4.541 4.676 0.006 15 0 "[ . 1 . 2]" 2
629 1 14 PHE QE 1 38 VAL HB . . 3.950 2.911 2.490 3.247 . 0 0 "[ . 1 . 2]" 2
630 1 38 VAL HB 1 51 LEU MD2 . . 4.140 2.866 2.322 3.380 . 0 0 "[ . 1 . 2]" 2
631 1 70 GLN HA 1 70 GLN QG . . 3.630 2.874 2.239 3.468 . 0 0 "[ . 1 . 2]" 2
632 1 15 HIS HB2 1 30 THR HB . . 5.010 4.678 4.605 4.759 . 0 0 "[ . 1 . 2]" 2
633 1 15 HIS HB3 1 30 THR HB . . 3.950 3.972 3.959 3.985 0.035 16 0 "[ . 1 . 2]" 2
634 1 15 HIS HB3 1 30 THR MG . . 5.140 4.796 4.679 4.947 . 0 0 "[ . 1 . 2]" 2
635 1 34 CYS HB2 1 59 HIS HE1 . . 4.250 4.140 3.971 4.256 0.006 17 0 "[ . 1 . 2]" 2
636 1 33 LEU HB2 1 34 CYS HB3 . . 4.780 4.233 4.026 4.390 . 0 0 "[ . 1 . 2]" 2
637 1 54 HIS HE1 1 58 MET HB3 . . 4.440 4.444 4.401 4.458 0.018 15 0 "[ . 1 . 2]" 2
638 1 55 LEU H 1 56 LYS QB . . 4.890 4.905 4.809 4.949 0.059 5 0 "[ . 1 . 2]" 2
639 1 56 LYS QB 1 56 LYS QD . . 3.310 2.072 2.008 2.127 . 0 0 "[ . 1 . 2]" 2
640 1 56 LYS QB 1 63 LEU MD1 . . 4.560 3.188 2.946 3.390 . 0 0 "[ . 1 . 2]" 2
641 1 63 LEU MD2 1 66 SER QB . . 4.780 4.125 3.634 4.598 . 0 0 "[ . 1 . 2]" 2
642 1 71 SER QB 1 72 GLY H . . 4.760 3.574 2.372 4.050 . 0 0 "[ . 1 . 2]" 2
643 1 52 TRP HH2 1 71 SER QB . . 3.930 3.649 2.791 3.939 0.009 11 0 "[ . 1 . 2]" 2
644 1 28 TYR QD 1 39 SER HB3 . . 4.710 3.072 2.194 4.526 . 0 0 "[ . 1 . 2]" 2
645 1 28 TYR QE 1 39 SER HB3 . . 4.490 2.793 2.006 3.802 . 0 0 "[ . 1 . 2]" 2
646 1 65 LYS QB 1 66 SER QB . . 4.560 4.063 3.549 4.571 0.011 10 0 "[ . 1 . 2]" 2
647 1 56 LYS H 1 57 SER QB . . 4.800 4.163 3.992 4.231 . 0 0 "[ . 1 . 2]" 2
648 1 57 SER QB 1 58 MET HB3 . . 3.930 3.836 3.599 3.948 0.018 18 0 "[ . 1 . 2]" 2
649 1 56 LYS QB 1 57 SER QB . . 4.460 4.237 4.174 4.525 0.065 10 0 "[ . 1 . 2]" 2
650 1 56 LYS QD 1 57 SER QB . . 5.500 5.495 5.402 5.613 0.113 17 0 "[ . 1 . 2]" 2
651 1 8 SER HB3 1 49 THR MG . . 5.500 5.085 4.685 5.436 . 0 0 "[ . 1 . 2]" 2
652 1 54 HIS HA 1 57 SER QB . . 2.850 2.135 2.053 2.274 . 0 0 "[ . 1 . 2]" 2
653 1 40 ARG HB3 1 44 VAL MG2 . . 5.140 2.909 1.963 4.667 . 0 0 "[ . 1 . 2]" 2
654 1 40 ARG HB2 1 44 VAL MG2 . . 5.140 3.523 1.977 5.125 . 0 0 "[ . 1 . 2]" 2
655 1 36 ARG HB2 1 37 GLN H . . 4.490 4.119 3.635 4.241 . 0 0 "[ . 1 . 2]" 2
656 1 36 ARG HB2 1 36 ARG QD . . 3.730 2.809 2.458 3.378 . 0 0 "[ . 1 . 2]" 2
657 1 18 PRO HA 1 19 ALA MB . . 4.350 3.938 3.763 4.071 . 0 0 "[ . 1 . 2]" 2
658 1 32 ARG HB2 1 33 LEU H . . 4.790 3.522 3.417 3.630 . 0 0 "[ . 1 . 2]" 2
659 1 49 THR HA 1 51 LEU MD1 . . 5.210 5.135 4.765 5.217 0.007 10 0 "[ . 1 . 2]" 2
660 1 44 VAL HA 1 44 VAL MG2 . . 3.510 2.384 2.121 3.183 . 0 0 "[ . 1 . 2]" 2
661 1 31 CYS HB3 1 35 GLY HA2 . . 4.880 3.383 3.170 3.502 . 0 0 "[ . 1 . 2]" 2
662 1 31 CYS HB3 1 36 ARG HB2 . . 4.670 3.369 3.098 3.589 . 0 0 "[ . 1 . 2]" 2
663 1 31 CYS HB2 1 36 ARG HB2 . . 4.860 3.465 3.025 3.923 . 0 0 "[ . 1 . 2]" 2
664 1 52 TRP HB3 1 55 LEU HB2 . . 4.840 4.257 4.062 4.465 . 0 0 "[ . 1 . 2]" 2
665 1 52 TRP H 1 52 TRP HB3 . . 3.710 3.587 3.561 3.614 . 0 0 "[ . 1 . 2]" 2
666 1 52 TRP HB3 1 53 LYS HA . . 4.430 4.169 4.102 4.264 . 0 0 "[ . 1 . 2]" 2
667 1 52 TRP HB3 1 56 LYS QE . . 4.640 3.200 2.038 3.980 . 0 0 "[ . 1 . 2]" 2
668 1 52 TRP HB3 1 56 LYS QD . . 4.440 2.247 1.975 2.641 . 0 0 "[ . 1 . 2]" 2
669 1 52 TRP HB2 1 53 LYS HA . . 5.080 4.394 4.264 4.570 . 0 0 "[ . 1 . 2]" 2
670 1 52 TRP HB2 1 56 LYS QD . . 4.580 3.674 3.450 3.966 . 0 0 "[ . 1 . 2]" 2
671 1 14 PHE QE 1 31 CYS HB3 . . 4.140 4.009 3.703 4.150 0.010 10 0 "[ . 1 . 2]" 2
672 1 31 CYS HB3 1 36 ARG HB3 . . 4.860 4.766 4.518 4.865 0.005 14 0 "[ . 1 . 2]" 2
673 1 14 PHE HZ 1 31 CYS HB2 . . 4.380 3.995 3.826 4.190 . 0 0 "[ . 1 . 2]" 2
674 1 14 PHE QD 1 31 CYS HB2 . . 4.550 3.101 2.831 3.278 . 0 0 "[ . 1 . 2]" 2
675 1 14 PHE QE 1 31 CYS HB2 . . 3.760 2.325 1.997 2.537 . 0 0 "[ . 1 . 2]" 2
676 1 31 CYS HB2 1 38 VAL MG2 . . 4.020 3.101 2.823 3.250 . 0 0 "[ . 1 . 2]" 2
677 1 60 ARG HB2 1 61 GLU H . . 4.410 4.050 3.978 4.133 . 0 0 "[ . 1 . 2]" 2
678 1 58 MET H 1 60 ARG HB2 . . 5.500 4.747 4.628 4.862 . 0 0 "[ . 1 . 2]" 2
679 1 59 HIS H 1 60 ARG HB2 . . 5.500 4.846 4.704 5.003 . 0 0 "[ . 1 . 2]" 2
680 1 60 ARG HB3 1 60 ARG QD . . 3.880 2.478 2.083 3.299 . 0 0 "[ . 1 . 2]" 2
681 1 53 LYS H 1 53 LYS QD . . 4.760 3.291 1.878 4.288 . 0 0 "[ . 1 . 2]" 2
682 1 50 ALA HA 1 53 LYS QD . . 3.750 2.542 2.023 3.744 . 0 0 "[ . 1 . 2]" 2
683 1 37 GLN HB3 1 38 VAL H . . 4.420 3.352 3.088 3.645 . 0 0 "[ . 1 . 2]" 2
684 1 37 GLN H 1 37 GLN HB3 . . 4.010 3.629 3.583 3.733 . 0 0 "[ . 1 . 2]" 2
685 1 59 HIS HB3 1 62 GLU HB2 . . 3.970 2.869 1.994 3.358 . 0 0 "[ . 1 . 2]" 2
686 1 33 LEU MD2 1 59 HIS HB3 . . 4.990 4.087 3.736 4.276 . 0 0 "[ . 1 . 2]" 2
687 1 59 HIS HB3 1 63 LEU MD2 . . 5.450 3.880 3.601 4.121 . 0 0 "[ . 1 . 2]" 2
688 1 55 LEU HB3 1 59 HIS HB2 . . 4.780 2.775 2.642 3.018 . 0 0 "[ . 1 . 2]" 2
689 1 59 HIS HB2 1 63 LEU MD1 . . 4.900 3.630 3.460 3.784 . 0 0 "[ . 1 . 2]" 2
690 1 33 LEU MD1 1 59 HIS HB2 . . 4.030 3.092 2.942 3.209 . 0 0 "[ . 1 . 2]" 2
691 1 9 GLU HB2 1 52 TRP HH2 . . 4.570 4.402 2.742 4.585 0.015 10 0 "[ . 1 . 2]" 2
692 1 9 GLU HB3 1 52 TRP HZ2 . . 4.190 2.238 1.993 3.717 . 0 0 "[ . 1 . 2]" 2
693 1 9 GLU HB3 1 52 TRP HH2 . . 4.570 3.181 2.879 4.571 0.001 2 0 "[ . 1 . 2]" 2
694 1 12 GLU HB2 1 13 TYR QD . . 4.620 3.385 3.062 4.622 0.002 11 0 "[ . 1 . 2]" 2
695 1 12 GLU HB2 1 13 TYR QE . . 4.780 3.368 3.101 4.680 . 0 0 "[ . 1 . 2]" 2
696 1 12 GLU HB3 1 13 TYR QD . . 4.620 4.585 4.428 4.632 0.012 18 0 "[ . 1 . 2]" 2
697 1 56 LYS QD 1 63 LEU MD1 . . 4.390 3.335 3.095 3.598 . 0 0 "[ . 1 . 2]" 2
698 1 38 VAL HA 1 38 VAL MG1 . . 3.290 2.368 2.287 2.443 . 0 0 "[ . 1 . 2]" 2
699 1 38 VAL HA 1 38 VAL MG2 . . 3.200 2.325 2.271 2.440 . 0 0 "[ . 1 . 2]" 2
700 1 11 TRP HB3 1 11 TRP HE3 . . 3.910 2.927 2.839 2.994 . 0 0 "[ . 1 . 2]" 2
701 1 33 LEU MD2 1 62 GLU HB2 . . 4.730 3.972 3.603 4.225 . 0 0 "[ . 1 . 2]" 2
702 1 62 GLU HB2 1 63 LEU MD2 . . 5.110 4.877 4.027 5.113 0.003 14 0 "[ . 1 . 2]" 2
703 1 59 HIS HB3 1 62 GLU HB3 . . 3.970 2.294 1.993 3.262 . 0 0 "[ . 1 . 2]" 2
704 1 62 GLU HB3 1 63 LEU MD2 . . 5.110 3.699 3.482 3.952 . 0 0 "[ . 1 . 2]" 2
705 1 33 LEU MD1 1 62 GLU HB3 . . 3.990 3.353 3.157 3.536 . 0 0 "[ . 1 . 2]" 2
706 1 14 PHE HZ 1 54 HIS HB3 . . 3.720 2.369 2.116 2.573 . 0 0 "[ . 1 . 2]" 2
707 1 14 PHE QE 1 54 HIS HB3 . . 4.640 3.542 3.383 3.631 . 0 0 "[ . 1 . 2]" 2
708 1 54 HIS HB3 1 55 LEU HG . . 4.630 3.473 3.361 3.550 . 0 0 "[ . 1 . 2]" 2
709 1 54 HIS HB2 1 55 LEU H . . 4.230 3.915 3.839 4.022 . 0 0 "[ . 1 . 2]" 2
710 1 14 PHE HZ 1 54 HIS HB2 . . 4.380 3.877 3.618 4.144 . 0 0 "[ . 1 . 2]" 2
711 1 38 VAL MG1 1 54 HIS HB2 . . 3.900 2.982 2.662 3.265 . 0 0 "[ . 1 . 2]" 2
712 1 38 VAL MG2 1 54 HIS HB2 . . 3.850 2.766 2.507 3.176 . 0 0 "[ . 1 . 2]" 2
713 1 52 TRP HA 1 52 TRP HZ3 . . 5.160 4.870 4.792 4.970 . 0 0 "[ . 1 . 2]" 2
714 1 52 TRP HA 1 55 LEU HB2 . . 3.580 2.414 2.221 2.512 . 0 0 "[ . 1 . 2]" 2
715 1 52 TRP HA 1 56 LYS QD . . 4.660 3.690 3.366 4.029 . 0 0 "[ . 1 . 2]" 2
716 1 52 TRP HA 1 55 LEU HB3 . . 4.090 4.024 3.836 4.103 0.013 19 0 "[ . 1 . 2]" 2
717 1 52 TRP HA 1 55 LEU MD1 . . 3.640 2.072 1.967 2.445 . 0 0 "[ . 1 . 2]" 2
718 1 60 ARG HA 1 63 LEU H . . 4.080 3.788 3.589 3.999 . 0 0 "[ . 1 . 2]" 2
719 1 59 HIS H 1 60 ARG HA . . 4.790 4.633 4.580 4.716 . 0 0 "[ . 1 . 2]" 2
720 1 60 ARG HA 1 63 LEU HB2 . . 3.780 3.261 2.931 3.454 . 0 0 "[ . 1 . 2]" 2
721 1 60 ARG HA 1 60 ARG HG2 . . 3.890 3.205 2.678 3.897 0.007 14 0 "[ . 1 . 2]" 2
722 1 60 ARG HA 1 63 LEU HG . . 4.220 3.473 3.213 3.752 . 0 0 "[ . 1 . 2]" 2
723 1 60 ARG HA 1 63 LEU MD1 . . 3.630 2.812 2.507 3.173 . 0 0 "[ . 1 . 2]" 2
724 1 36 ARG H 1 36 ARG HG3 . . 4.190 3.467 3.177 3.878 . 0 0 "[ . 1 . 2]" 2
725 1 56 LYS QB 1 57 SER HA . . 4.370 4.034 4.017 4.043 . 0 0 "[ . 1 . 2]" 2
726 1 54 HIS HA 1 56 LYS H . . 4.980 4.539 4.136 4.709 . 0 0 "[ . 1 . 2]" 2
727 1 56 LYS H 1 57 SER HA . . 5.500 4.996 4.833 5.052 . 0 0 "[ . 1 . 2]" 2
728 1 54 HIS HA 1 54 HIS HD2 . . 4.630 4.579 4.503 4.642 0.012 9 0 "[ . 1 . 2]" 2
729 1 54 HIS HA 1 55 LEU HA . . 5.250 4.803 4.765 4.828 . 0 0 "[ . 1 . 2]" 2
730 1 56 LYS HA 1 57 SER HA . . 5.500 4.688 4.673 4.702 . 0 0 "[ . 1 . 2]" 2
731 1 54 HIS HA 1 58 MET HB3 . . 5.500 5.411 5.185 5.519 0.019 14 0 "[ . 1 . 2]" 2
732 1 57 SER HA 1 58 MET HB3 . . 5.500 5.235 5.167 5.332 . 0 0 "[ . 1 . 2]" 2
733 1 54 HIS HA 1 55 LEU HG . . 5.500 5.510 5.428 5.547 0.047 12 0 "[ . 1 . 2]" 2
734 1 54 HIS HA 1 58 MET ME . . 5.500 5.319 5.190 5.444 . 0 0 "[ . 1 . 2]" 2
735 1 53 LYS QB 1 54 HIS HA . . 4.490 3.881 3.824 3.961 . 0 0 "[ . 1 . 2]" 2
736 1 38 VAL MG1 1 54 HIS HA . . 5.260 5.028 4.676 5.230 . 0 0 "[ . 1 . 2]" 2
737 1 60 ARG HA 1 61 GLU HA . . 4.830 4.736 4.706 4.762 . 0 0 "[ . 1 . 2]" 2
738 1 32 ARG H 1 32 ARG HG2 . . 4.300 3.621 3.189 3.926 . 0 0 "[ . 1 . 2]" 2
739 1 13 TYR HA 1 32 ARG HG2 . . 5.320 5.226 5.036 5.323 0.003 17 0 "[ . 1 . 2]" 2
740 1 53 LYS HA 1 54 HIS HA . . 4.940 4.727 4.664 4.755 . 0 0 "[ . 1 . 2]" 2
741 1 53 LYS HA 1 56 LYS QB . . 3.700 3.314 3.205 3.577 . 0 0 "[ . 1 . 2]" 2
742 1 53 LYS HA 1 56 LYS QD . . 4.130 2.963 2.757 3.210 . 0 0 "[ . 1 . 2]" 2
743 1 53 LYS HA 1 53 LYS HG3 . . 3.710 2.702 2.227 3.242 . 0 0 "[ . 1 . 2]" 2
744 1 17 ALA HA 1 18 PRO QG . . 4.340 3.948 3.860 4.054 . 0 0 "[ . 1 . 2]" 2
745 1 61 GLU HA 1 61 GLU QG . . 3.280 2.433 2.156 2.811 . 0 0 "[ . 1 . 2]" 2
746 1 14 PHE HZ 1 31 CYS HA . . 5.250 4.657 4.540 4.754 . 0 0 "[ . 1 . 2]" 2
747 1 31 CYS HA 1 54 HIS HD2 . . 5.500 5.121 4.989 5.327 . 0 0 "[ . 1 . 2]" 2
748 1 31 CYS HA 1 38 VAL MG2 . . 5.040 4.805 4.556 4.994 . 0 0 "[ . 1 . 2]" 2
749 1 14 PHE QD 1 31 CYS HA . . 3.760 2.536 2.297 2.737 . 0 0 "[ . 1 . 2]" 2
750 1 14 PHE QE 1 31 CYS HA . . 4.110 3.454 3.278 3.619 . 0 0 "[ . 1 . 2]" 2
751 1 14 PHE HA 1 31 CYS HA . . 3.720 2.184 2.026 2.341 . 0 0 "[ . 1 . 2]" 2
752 1 31 CYS HA 1 32 ARG HB2 . . 4.950 4.606 4.512 4.683 . 0 0 "[ . 1 . 2]" 2
753 1 31 CYS HA 1 32 ARG HG3 . . 4.480 3.840 3.701 3.976 . 0 0 "[ . 1 . 2]" 2
754 1 40 ARG HA 1 40 ARG HG3 . . 4.200 3.327 2.353 4.204 0.004 3 0 "[ . 1 . 2]" 2
755 1 11 TRP HA 1 11 TRP HE3 . . 3.530 2.467 2.277 2.696 . 0 0 "[ . 1 . 2]" 2
756 1 11 TRP HA 1 14 PHE QD . . 4.410 3.062 2.798 3.286 . 0 0 "[ . 1 . 2]" 2
757 1 11 TRP HA 1 14 PHE HB2 . . 4.780 2.622 2.486 2.707 . 0 0 "[ . 1 . 2]" 2
758 1 11 TRP HA 1 14 PHE HB3 . . 4.500 4.340 4.197 4.431 . 0 0 "[ . 1 . 2]" 2
759 1 11 TRP HA 1 51 LEU MD1 . . 4.760 2.127 1.949 2.412 . 0 0 "[ . 1 . 2]" 2
760 1 62 GLU HA 1 65 LYS QE . . 4.350 3.292 2.203 4.350 . 0 0 "[ . 1 . 2]" 2
761 1 62 GLU HA 1 62 GLU HG3 . . 4.000 2.885 2.193 3.664 . 0 0 "[ . 1 . 2]" 2
762 1 62 GLU HA 1 62 GLU HG2 . . 4.000 3.619 2.348 3.895 . 0 0 "[ . 1 . 2]" 2
763 1 41 GLY HA3 1 42 PRO QG . . 4.490 4.062 3.888 4.258 . 0 0 "[ . 1 . 2]" 2
764 1 41 GLY HA2 1 42 PRO QG . . 4.490 4.264 4.055 4.493 0.003 13 0 "[ . 1 . 2]" 2
765 1 15 HIS HA 1 16 LEU HG . . 4.680 4.049 3.856 4.283 . 0 0 "[ . 1 . 2]" 2
766 1 60 ARG HA 1 60 ARG HG3 . . 3.890 2.850 2.515 3.688 . 0 0 "[ . 1 . 2]" 2
767 1 20 ARG HA 1 20 ARG QG . . 3.810 2.804 2.133 3.446 . 0 0 "[ . 1 . 2]" 2
768 1 13 TYR HB3 1 33 LEU HG . . 4.570 2.064 1.999 2.180 . 0 0 "[ . 1 . 2]" 2
769 1 33 LEU HG 1 34 CYS H . . 4.700 4.561 4.386 4.666 . 0 0 "[ . 1 . 2]" 2
770 1 9 GLU HA 1 12 GLU H . . 4.410 3.726 3.526 4.013 . 0 0 "[ . 1 . 2]" 2
771 1 9 GLU HA 1 11 TRP H . . 4.300 3.749 3.307 4.016 . 0 0 "[ . 1 . 2]" 2
772 1 9 GLU HA 1 9 GLU QG . . 3.310 2.524 2.134 3.334 0.024 2 0 "[ . 1 . 2]" 2
773 1 56 LYS HA 1 60 ARG H . . 4.760 3.474 3.337 3.551 . 0 0 "[ . 1 . 2]" 2
774 1 56 LYS HA 1 56 LYS HG2 . . 3.310 2.968 2.928 3.079 . 0 0 "[ . 1 . 2]" 2
775 1 56 LYS HA 1 56 LYS HG3 . . 3.440 2.862 2.769 2.959 . 0 0 "[ . 1 . 2]" 2
776 1 55 LEU H 1 55 LEU HG . . 3.550 2.311 2.081 2.493 . 0 0 "[ . 1 . 2]" 2
777 1 14 PHE HZ 1 55 LEU HG . . 3.780 2.785 2.541 3.126 . 0 0 "[ . 1 . 2]" 2
778 1 14 PHE QD 1 55 LEU HG . . 4.850 4.553 4.392 4.735 . 0 0 "[ . 1 . 2]" 2
779 1 52 TRP HA 1 55 LEU HG . . 4.600 3.314 2.840 3.567 . 0 0 "[ . 1 . 2]" 2
780 1 13 TYR HA 1 32 ARG HG3 . . 4.650 4.133 3.712 4.398 . 0 0 "[ . 1 . 2]" 2
781 1 13 TYR HA 1 55 LEU MD2 . . 4.690 4.319 4.163 4.514 . 0 0 "[ . 1 . 2]" 2
782 1 55 LEU HA 1 55 LEU HG . . 3.990 2.928 2.856 3.116 . 0 0 "[ . 1 . 2]" 2
783 1 56 LYS H 1 56 LYS HG2 . . 3.920 3.638 3.451 3.806 . 0 0 "[ . 1 . 2]" 2
784 1 13 TYR HA 1 13 TYR QE . . 4.900 4.776 4.745 4.807 . 0 0 "[ . 1 . 2]" 2
785 1 13 TYR HA 1 32 ARG HB2 . . 4.260 2.521 2.280 2.687 . 0 0 "[ . 1 . 2]" 2
786 1 13 TYR HA 1 33 LEU HG . . 4.800 3.184 3.089 3.272 . 0 0 "[ . 1 . 2]" 2
787 1 64 GLU HA 1 64 GLU HG2 . . 3.950 2.516 2.241 3.737 . 0 0 "[ . 1 . 2]" 2
788 1 64 GLU HA 1 64 GLU HG3 . . 3.950 3.266 2.998 3.802 . 0 0 "[ . 1 . 2]" 2
789 1 31 CYS HA 1 32 ARG HA . . 4.700 4.381 4.364 4.408 . 0 0 "[ . 1 . 2]" 2
790 1 32 ARG HA 1 32 ARG HD2 . . 5.020 4.819 4.616 4.916 . 0 0 "[ . 1 . 2]" 2
791 1 32 ARG HA 1 32 ARG HG2 . . 3.500 2.653 2.496 2.864 . 0 0 "[ . 1 . 2]" 2
792 1 15 HIS HD2 1 32 ARG HA . . 4.450 3.995 3.787 4.198 . 0 0 "[ . 1 . 2]" 2
793 1 32 ARG HA 1 32 ARG HG3 . . 3.770 3.018 2.757 3.330 . 0 0 "[ . 1 . 2]" 2
794 1 30 THR MG 1 32 ARG HA . . 4.480 4.091 3.894 4.284 . 0 0 "[ . 1 . 2]" 2
795 1 54 HIS HD2 1 55 LEU HA . . 4.020 3.796 3.568 3.997 . 0 0 "[ . 1 . 2]" 2
796 1 55 LEU HA 1 59 HIS HB3 . . 3.880 3.726 3.672 3.832 . 0 0 "[ . 1 . 2]" 2
797 1 55 LEU HA 1 59 HIS HB2 . . 3.450 2.052 2.004 2.166 . 0 0 "[ . 1 . 2]" 2
798 1 55 LEU HA 1 55 LEU MD1 . . 4.170 3.901 3.889 3.924 . 0 0 "[ . 1 . 2]" 2
799 1 64 GLU QB 1 65 LYS HA . . 4.500 3.853 3.783 4.290 . 0 0 "[ . 1 . 2]" 2
800 1 65 LYS HA 1 65 LYS HG2 . . 3.970 3.003 2.276 3.903 . 0 0 "[ . 1 . 2]" 2
801 1 65 LYS HA 1 65 LYS HG3 . . 3.970 2.916 2.264 3.810 . 0 0 "[ . 1 . 2]" 2
802 1 13 TYR HA 1 32 ARG HB3 . . 4.810 4.187 3.936 4.367 . 0 0 "[ . 1 . 2]" 2
803 1 12 GLU HA 1 14 PHE H . . 4.560 3.677 3.641 3.741 . 0 0 "[ . 1 . 2]" 2
804 1 51 LEU HG 1 52 TRP HD1 . . 5.500 5.474 5.208 5.513 0.013 4 0 "[ . 1 . 2]" 2
805 1 10 ALA H 1 55 LEU MD1 . . 5.360 4.293 3.936 4.485 . 0 0 "[ . 1 . 2]" 2
806 1 14 PHE HZ 1 55 LEU MD1 . . 4.330 4.003 3.746 4.267 . 0 0 "[ . 1 . 2]" 2
807 1 14 PHE QD 1 55 LEU MD1 . . 4.190 3.552 3.306 3.746 . 0 0 "[ . 1 . 2]" 2
808 1 14 PHE QE 1 55 LEU MD1 . . 3.390 2.289 1.967 2.564 . 0 0 "[ . 1 . 2]" 2
809 1 13 TYR QE 1 55 LEU MD1 . . 4.470 3.354 3.130 3.473 . 0 0 "[ . 1 . 2]" 2
810 1 10 ALA HA 1 55 LEU MD1 . . 3.880 2.458 2.067 2.720 . 0 0 "[ . 1 . 2]" 2
811 1 55 LEU MD1 1 63 LEU HG . . 4.830 4.313 4.109 4.651 . 0 0 "[ . 1 . 2]" 2
812 1 55 LEU HB3 1 55 LEU MD1 . . 3.620 2.477 2.359 2.558 . 0 0 "[ . 1 . 2]" 2
813 1 28 TYR HA 1 39 SER HA . . 3.960 2.448 2.105 2.623 . 0 0 "[ . 1 . 2]" 2
814 1 28 TYR QB 1 39 SER HA . . 4.470 4.096 3.918 4.332 . 0 0 "[ . 1 . 2]" 2
815 1 16 LEU MD2 1 39 SER HA . . 5.500 5.446 5.223 5.515 0.015 12 0 "[ . 1 . 2]" 2
816 1 53 LYS H 1 53 LYS HG2 . . 4.140 3.697 3.026 4.089 . 0 0 "[ . 1 . 2]" 2
817 1 53 LYS HA 1 53 LYS HG2 . . 3.710 2.810 2.344 3.592 . 0 0 "[ . 1 . 2]" 2
818 1 49 THR MG 1 51 LEU HG . . 4.030 2.059 1.964 3.143 . 0 0 "[ . 1 . 2]" 2
819 1 49 THR HA 1 51 LEU HG . . 4.910 4.840 4.431 4.919 0.009 6 0 "[ . 1 . 2]" 2
820 1 63 LEU HA 1 66 SER QB . . 4.110 3.157 2.581 3.845 . 0 0 "[ . 1 . 2]" 2
821 1 63 LEU HA 1 63 LEU HG . . 3.630 3.181 3.121 3.221 . 0 0 "[ . 1 . 2]" 2
822 1 63 LEU HA 1 63 LEU MD2 . . 3.030 2.129 1.979 2.264 . 0 0 "[ . 1 . 2]" 2
823 1 14 PHE HZ 1 51 LEU HA . . 3.920 3.452 3.112 3.751 . 0 0 "[ . 1 . 2]" 2
824 1 14 PHE QE 1 51 LEU HA . . 4.250 3.596 3.150 3.853 . 0 0 "[ . 1 . 2]" 2
825 1 51 LEU HA 1 54 HIS HB3 . . 4.170 3.176 2.944 3.417 . 0 0 "[ . 1 . 2]" 2
826 1 51 LEU HA 1 54 HIS HB2 . . 4.670 3.920 3.744 4.235 . 0 0 "[ . 1 . 2]" 2
827 1 50 ALA MB 1 51 LEU HA . . 4.760 3.781 3.699 3.951 . 0 0 "[ . 1 . 2]" 2
828 1 38 VAL MG1 1 51 LEU HA . . 3.640 2.860 2.275 3.239 . 0 0 "[ . 1 . 2]" 2
829 1 10 ALA MB 1 51 LEU HA . . 4.870 4.298 3.973 4.779 . 0 0 "[ . 1 . 2]" 2
830 1 51 LEU HA 1 51 LEU MD2 . . 3.260 2.225 2.077 2.381 . 0 0 "[ . 1 . 2]" 2
831 1 51 LEU HA 1 53 LYS H . . 5.060 4.566 4.211 4.925 . 0 0 "[ . 1 . 2]" 2
832 1 51 LEU HA 1 55 LEU H . . 5.450 4.405 4.252 4.617 . 0 0 "[ . 1 . 2]" 2
833 1 51 LEU HA 1 54 HIS H . . 4.520 3.554 3.338 3.831 . 0 0 "[ . 1 . 2]" 2
834 1 51 LEU HA 1 51 LEU MD1 . . 4.380 3.941 3.921 3.959 . 0 0 "[ . 1 . 2]" 2
835 1 65 LYS H 1 65 LYS HG2 . . 4.790 3.865 1.974 4.619 . 0 0 "[ . 1 . 2]" 2
836 1 65 LYS H 1 65 LYS HG3 . . 4.790 3.721 2.325 4.555 . 0 0 "[ . 1 . 2]" 2
837 1 55 LEU H 1 63 LEU MD1 . . 4.850 4.228 4.056 4.471 . 0 0 "[ . 1 . 2]" 2
838 1 63 LEU H 1 63 LEU MD1 . . 4.060 3.612 3.545 3.769 . 0 0 "[ . 1 . 2]" 2
839 1 52 TRP HE3 1 63 LEU MD1 . . 4.080 2.449 2.178 2.734 . 0 0 "[ . 1 . 2]" 2
840 1 52 TRP HZ3 1 63 LEU MD1 . . 3.670 2.747 2.343 3.169 . 0 0 "[ . 1 . 2]" 2
841 1 13 TYR QE 1 63 LEU MD1 . . 5.500 5.358 5.059 5.496 . 0 0 "[ . 1 . 2]" 2
842 1 52 TRP HA 1 63 LEU MD1 . . 4.780 3.801 3.508 4.119 . 0 0 "[ . 1 . 2]" 2
843 1 63 LEU HA 1 63 LEU MD1 . . 3.900 3.879 3.835 3.910 0.010 18 0 "[ . 1 . 2]" 2
844 1 56 LYS HA 1 63 LEU MD1 . . 3.270 2.332 2.071 2.588 . 0 0 "[ . 1 . 2]" 2
845 1 59 HIS HB3 1 63 LEU MD1 . . 4.870 4.472 4.328 4.729 . 0 0 "[ . 1 . 2]" 2
846 1 55 LEU HB2 1 63 LEU MD1 . . 3.640 2.361 2.141 2.686 . 0 0 "[ . 1 . 2]" 2
847 1 63 LEU HB2 1 63 LEU MD1 . . 3.270 2.270 2.191 2.381 . 0 0 "[ . 1 . 2]" 2
848 1 56 LYS HG2 1 63 LEU MD1 . . 3.230 2.130 1.923 2.325 . 0 0 "[ . 1 . 2]" 2
849 1 63 LEU HB3 1 63 LEU MD1 . . 3.350 2.387 2.298 2.469 . 0 0 "[ . 1 . 2]" 2
850 1 56 LYS HG3 1 63 LEU MD1 . . 3.810 1.982 1.870 2.285 . 0 0 "[ . 1 . 2]" 2
851 1 55 LEU HB3 1 63 LEU MD1 . . 3.530 2.128 1.973 2.337 . 0 0 "[ . 1 . 2]" 2
852 1 55 LEU MD1 1 63 LEU MD1 . . 3.910 3.063 2.748 3.229 . 0 0 "[ . 1 . 2]" 2
853 1 33 LEU MD1 1 34 CYS H . . 4.440 4.348 4.257 4.433 . 0 0 "[ . 1 . 2]" 2
854 1 33 LEU MD1 1 59 HIS HE1 . . 4.750 3.555 3.325 3.737 . 0 0 "[ . 1 . 2]" 2
855 1 33 LEU MD1 1 59 HIS HB3 . . 3.690 2.565 2.401 2.695 . 0 0 "[ . 1 . 2]" 2
856 1 13 TYR HB3 1 33 LEU MD1 . . 3.730 2.202 1.969 2.426 . 0 0 "[ . 1 . 2]" 2
857 1 13 TYR HB2 1 33 LEU MD1 . . 4.830 3.186 2.950 3.458 . 0 0 "[ . 1 . 2]" 2
858 1 33 LEU MD1 1 62 GLU HB2 . . 3.990 3.780 3.191 4.004 0.014 20 0 "[ . 1 . 2]" 2
859 1 16 LEU QB 1 16 LEU MD1 . . 3.090 2.058 1.977 2.101 . 0 0 "[ . 1 . 2]" 2
860 1 36 ARG HA 1 36 ARG QD . . 4.090 3.516 2.457 4.058 . 0 0 "[ . 1 . 2]" 2
861 1 31 CYS HB2 1 36 ARG HA . . 5.500 5.102 4.830 5.322 . 0 0 "[ . 1 . 2]" 2
862 1 36 ARG HA 1 36 ARG HG2 . . 3.670 2.296 2.161 2.587 . 0 0 "[ . 1 . 2]" 2
863 1 36 ARG HA 1 36 ARG HG3 . . 3.670 3.284 2.922 3.729 0.059 7 0 "[ . 1 . 2]" 2
864 1 33 LEU HA 1 33 LEU HG . . 3.670 2.893 2.815 3.014 . 0 0 "[ . 1 . 2]" 2
865 1 33 LEU HA 1 33 LEU MD1 . . 4.020 3.835 3.798 3.873 . 0 0 "[ . 1 . 2]" 2
866 1 40 ARG HA 1 40 ARG HG2 . . 4.200 2.947 2.357 3.809 . 0 0 "[ . 1 . 2]" 2
867 1 40 ARG HA 1 50 ALA MB . . 3.700 2.413 1.929 3.010 . 0 0 "[ . 1 . 2]" 2
868 1 11 TRP HZ3 1 16 LEU MD2 . . 4.260 2.712 2.434 3.035 . 0 0 "[ . 1 . 2]" 2
869 1 16 LEU MD2 1 29 ALA HA . . 4.180 2.712 2.361 2.942 . 0 0 "[ . 1 . 2]" 2
870 1 16 LEU HA 1 16 LEU MD2 . . 3.490 2.156 1.972 2.513 . 0 0 "[ . 1 . 2]" 2
871 1 16 LEU MD2 1 40 ARG QD . . 4.630 3.928 3.357 4.554 . 0 0 "[ . 1 . 2]" 2
872 1 19 ALA MB 1 20 ARG HA . . 4.500 4.157 3.731 4.433 . 0 0 "[ . 1 . 2]" 2
873 1 14 PHE QD 1 29 ALA MB . . 3.480 2.698 2.428 2.973 . 0 0 "[ . 1 . 2]" 2
874 1 11 TRP HH2 1 29 ALA MB . . 3.720 2.754 2.391 3.060 . 0 0 "[ . 1 . 2]" 2
875 1 11 TRP HZ3 1 29 ALA MB . . 3.910 2.127 1.965 2.353 . 0 0 "[ . 1 . 2]" 2
876 1 16 LEU HA 1 29 ALA MB . . 4.320 3.737 3.500 3.910 . 0 0 "[ . 1 . 2]" 2
877 1 14 PHE HB2 1 29 ALA MB . . 3.400 3.245 3.100 3.407 0.007 11 0 "[ . 1 . 2]" 2
878 1 14 PHE HB3 1 29 ALA MB . . 3.810 2.141 1.980 2.378 . 0 0 "[ . 1 . 2]" 2
879 1 29 ALA MB 1 38 VAL HB . . 4.050 2.972 2.702 3.183 . 0 0 "[ . 1 . 2]" 2
880 1 16 LEU HG 1 29 ALA MB . . 4.380 3.966 3.501 4.241 . 0 0 "[ . 1 . 2]" 2
881 1 16 LEU MD2 1 29 ALA MB . . 3.440 2.693 2.335 2.904 . 0 0 "[ . 1 . 2]" 2
882 1 29 ALA MB 1 38 VAL MG2 . . 4.330 4.129 3.970 4.280 . 0 0 "[ . 1 . 2]" 2
883 1 29 ALA MB 1 51 LEU MD1 . . 4.150 3.466 2.828 3.901 . 0 0 "[ . 1 . 2]" 2
884 1 29 ALA MB 1 51 LEU MD2 . . 3.380 2.274 1.911 2.492 . 0 0 "[ . 1 . 2]" 2
885 1 52 TRP HE3 1 63 LEU MD2 . . 4.270 3.315 3.054 3.675 . 0 0 "[ . 1 . 2]" 2
886 1 52 TRP HZ3 1 63 LEU MD2 . . 3.570 2.399 1.983 2.970 . 0 0 "[ . 1 . 2]" 2
887 1 13 TYR QD 1 63 LEU MD2 . . 4.530 3.996 3.754 4.201 . 0 0 "[ . 1 . 2]" 2
888 1 13 TYR QE 1 63 LEU MD2 . . 4.030 3.378 3.121 3.539 . 0 0 "[ . 1 . 2]" 2
889 1 55 LEU HA 1 63 LEU MD2 . . 4.400 4.221 4.064 4.402 0.002 12 0 "[ . 1 . 2]" 2
890 1 63 LEU MD2 1 68 HIS HB3 . . 4.130 3.634 2.530 4.131 0.001 12 0 "[ . 1 . 2]" 2
891 1 63 LEU MD2 1 68 HIS HB2 . . 4.130 3.239 2.485 3.877 . 0 0 "[ . 1 . 2]" 2
892 1 59 HIS HB2 1 63 LEU MD2 . . 4.720 3.779 3.599 3.991 . 0 0 "[ . 1 . 2]" 2
893 1 55 LEU HB2 1 63 LEU MD2 . . 3.730 3.051 2.800 3.199 . 0 0 "[ . 1 . 2]" 2
894 1 63 LEU HB2 1 63 LEU MD2 . . 3.570 3.188 3.177 3.195 . 0 0 "[ . 1 . 2]" 2
895 1 63 LEU HB3 1 63 LEU MD2 . . 3.410 2.325 2.256 2.421 . 0 0 "[ . 1 . 2]" 2
896 1 56 LYS HG3 1 63 LEU MD2 . . 4.620 4.017 3.789 4.295 . 0 0 "[ . 1 . 2]" 2
897 1 55 LEU HB3 1 63 LEU MD2 . . 3.650 2.097 1.964 2.347 . 0 0 "[ . 1 . 2]" 2
898 1 58 MET HA 1 58 MET HG2 . . 3.990 3.898 3.850 3.953 . 0 0 "[ . 1 . 2]" 2
899 1 58 MET HA 1 58 MET HG3 . . 3.990 3.621 3.581 3.658 . 0 0 "[ . 1 . 2]" 2
900 1 50 ALA HA 1 53 LYS H . . 3.900 3.639 3.464 3.830 . 0 0 "[ . 1 . 2]" 2
901 1 50 ALA HA 1 53 LYS QB . . 3.340 3.077 2.791 3.315 . 0 0 "[ . 1 . 2]" 2
902 1 38 VAL MG1 1 50 ALA HA . . 5.180 4.667 4.192 5.088 . 0 0 "[ . 1 . 2]" 2
903 1 10 ALA HA 1 14 PHE QD . . 5.110 4.452 4.357 4.654 . 0 0 "[ . 1 . 2]" 2
904 1 10 ALA HA 1 52 TRP HH2 . . 5.500 4.506 3.895 4.908 . 0 0 "[ . 1 . 2]" 2
905 1 8 SER HA 1 49 THR MG . . 3.910 3.770 3.360 3.938 0.028 12 0 "[ . 1 . 2]" 2
906 1 8 SER HB2 1 49 THR MG . . 5.500 5.201 4.177 5.504 0.004 8 0 "[ . 1 . 2]" 2
907 1 49 THR HA 1 49 THR MG . . 3.430 2.138 2.034 2.357 . 0 0 "[ . 1 . 2]" 2
908 1 10 ALA MB 1 49 THR MG . . 3.870 3.440 2.916 3.878 0.008 18 0 "[ . 1 . 2]" 2
909 1 49 THR MG 1 51 LEU MD1 . . 3.800 2.226 2.029 2.712 . 0 0 "[ . 1 . 2]" 2
910 1 49 THR MG 1 51 LEU MD2 . . 4.800 3.532 3.379 4.141 . 0 0 "[ . 1 . 2]" 2
911 1 48 THR MG 1 53 LYS H . . 5.500 3.001 2.531 3.271 . 0 0 "[ . 1 . 2]" 2
912 1 48 THR HA 1 48 THR MG . . 3.190 2.348 2.199 2.460 . 0 0 "[ . 1 . 2]" 2
913 1 48 THR MG 1 53 LYS QB . . 4.650 3.976 3.666 4.134 . 0 0 "[ . 1 . 2]" 2
914 1 48 THR MG 1 53 LYS QD . . 4.160 3.149 1.802 4.081 . 0 0 "[ . 1 . 2]" 2
915 1 33 LEU MD2 1 62 GLU HG3 . . 4.220 3.667 2.147 4.148 . 0 0 "[ . 1 . 2]" 2
916 1 15 HIS HD2 1 30 THR MG . . 4.330 2.873 2.686 3.130 . 0 0 "[ . 1 . 2]" 2
917 1 33 LEU MD2 1 34 CYS H . . 4.600 4.573 4.495 4.646 0.046 15 0 "[ . 1 . 2]" 2
918 1 33 LEU HA 1 33 LEU MD2 . . 2.910 2.017 1.954 2.233 . 0 0 "[ . 1 . 2]" 2
919 1 33 LEU MD2 1 62 GLU HA . . 5.500 5.460 5.295 5.541 0.041 20 0 "[ . 1 . 2]" 2
920 1 13 TYR HB3 1 33 LEU MD2 . . 4.420 3.583 3.459 3.660 . 0 0 "[ . 1 . 2]" 2
921 1 33 LEU MD2 1 62 GLU HB3 . . 4.730 3.961 3.529 4.237 . 0 0 "[ . 1 . 2]" 2
922 1 30 THR MG 1 35 GLY HA3 . . 4.090 3.903 3.710 4.066 . 0 0 "[ . 1 . 2]" 2
923 1 30 THR MG 1 31 CYS HA . . 4.870 4.341 4.242 4.519 . 0 0 "[ . 1 . 2]" 2
924 1 30 THR MG 1 31 CYS HB3 . . 4.540 4.239 4.111 4.396 . 0 0 "[ . 1 . 2]" 2
925 1 30 THR MG 1 31 CYS HB2 . . 5.370 4.704 4.540 4.780 . 0 0 "[ . 1 . 2]" 2
926 1 30 THR MG 1 37 GLN HB3 . . 5.500 5.420 5.268 5.505 0.005 3 0 "[ . 1 . 2]" 2
927 1 55 LEU H 1 55 LEU MD2 . . 3.940 3.584 3.263 3.727 . 0 0 "[ . 1 . 2]" 2
928 1 14 PHE HZ 1 55 LEU MD2 . . 3.820 3.113 2.785 3.434 . 0 0 "[ . 1 . 2]" 2
929 1 54 HIS HD2 1 55 LEU MD2 . . 4.260 3.395 3.004 3.613 . 0 0 "[ . 1 . 2]" 2
930 1 14 PHE QD 1 55 LEU MD2 . . 4.340 3.771 3.580 4.013 . 0 0 "[ . 1 . 2]" 2
931 1 14 PHE QE 1 55 LEU MD2 . . 3.450 2.244 1.969 2.734 . 0 0 "[ . 1 . 2]" 2
932 1 52 TRP HA 1 55 LEU MD2 . . 4.730 4.445 4.238 4.596 . 0 0 "[ . 1 . 2]" 2
933 1 55 LEU HA 1 55 LEU MD2 . . 3.040 2.131 1.996 2.377 . 0 0 "[ . 1 . 2]" 2
934 1 55 LEU MD2 1 59 HIS HB3 . . 3.990 3.276 3.036 3.574 . 0 0 "[ . 1 . 2]" 2
935 1 13 TYR HB3 1 55 LEU MD2 . . 3.420 2.383 2.135 2.611 . 0 0 "[ . 1 . 2]" 2
936 1 55 LEU MD2 1 59 HIS HB2 . . 3.660 2.577 2.332 2.803 . 0 0 "[ . 1 . 2]" 2
937 1 13 TYR HB2 1 55 LEU MD2 . . 3.570 2.138 1.975 2.383 . 0 0 "[ . 1 . 2]" 2
938 1 55 LEU HB3 1 55 LEU MD2 . . 3.340 2.289 2.134 2.377 . 0 0 "[ . 1 . 2]" 2
939 1 38 VAL MG1 1 54 HIS H . . 4.650 4.268 3.926 4.566 . 0 0 "[ . 1 . 2]" 2
940 1 38 VAL MG1 1 54 HIS HD2 . . 5.500 5.037 4.756 5.212 . 0 0 "[ . 1 . 2]" 2
941 1 14 PHE QD 1 38 VAL MG1 . . 5.300 4.557 4.108 4.876 . 0 0 "[ . 1 . 2]" 2
942 1 38 VAL MG1 1 51 LEU H . . 5.500 4.132 3.709 4.776 . 0 0 "[ . 1 . 2]" 2
943 1 14 PHE QE 1 38 VAL MG1 . . 4.190 3.685 3.252 3.976 . 0 0 "[ . 1 . 2]" 2
944 1 38 VAL MG1 1 39 SER HA . . 4.600 4.029 3.883 4.308 . 0 0 "[ . 1 . 2]" 2
945 1 38 VAL MG1 1 54 HIS HB3 . . 4.060 3.650 3.437 3.856 . 0 0 "[ . 1 . 2]" 2
946 1 29 ALA MB 1 38 VAL MG1 . . 4.570 3.735 3.481 3.969 . 0 0 "[ . 1 . 2]" 2
947 1 38 VAL MG1 1 51 LEU MD2 . . 3.620 2.619 2.154 3.198 . 0 0 "[ . 1 . 2]" 2
948 1 44 VAL HA 1 44 VAL MG1 . . 3.510 2.933 2.371 3.203 . 0 0 "[ . 1 . 2]" 2
949 1 40 ARG HB3 1 44 VAL MG1 . . 5.140 2.953 1.962 4.309 . 0 0 "[ . 1 . 2]" 2
950 1 40 ARG HB2 1 44 VAL MG1 . . 5.140 3.381 2.090 5.000 . 0 0 "[ . 1 . 2]" 2
951 1 14 PHE QD 1 38 VAL MG2 . . 4.340 3.559 3.340 3.789 . 0 0 "[ . 1 . 2]" 2
952 1 38 VAL MG2 1 54 HIS HA . . 5.130 4.724 4.429 4.966 . 0 0 "[ . 1 . 2]" 2
953 1 38 VAL MG2 1 54 HIS HB3 . . 3.980 3.277 2.787 3.634 . 0 0 "[ . 1 . 2]" 2
954 1 31 CYS HB3 1 38 VAL MG2 . . 4.550 4.453 4.199 4.557 0.007 15 0 "[ . 1 . 2]" 2
955 1 37 GLN HB2 1 38 VAL MG2 . . 5.020 4.834 4.622 4.996 . 0 0 "[ . 1 . 2]" 2
956 1 38 VAL MG2 1 51 LEU MD2 . . 4.240 3.711 3.182 4.221 . 0 0 "[ . 1 . 2]" 2
957 1 19 ALA HA 1 20 ARG QG . . 4.540 4.094 3.584 4.480 . 0 0 "[ . 1 . 2]" 2
958 1 44 VAL H 1 44 VAL MG2 . . 4.800 3.431 2.373 3.926 . 0 0 "[ . 1 . 2]" 2
959 1 19 ALA MB 1 25 PRO HA . . 3.890 2.462 1.915 3.612 . 0 0 "[ . 1 . 2]" 2
960 1 40 ARG QD 1 50 ALA MB . . 4.880 4.126 2.358 4.877 . 0 0 "[ . 1 . 2]" 2
961 1 19 ALA MB 1 25 PRO QG . . 4.530 3.638 2.686 4.533 0.003 12 0 "[ . 1 . 2]" 2
962 1 40 ARG HB3 1 50 ALA MB . . 4.830 3.458 1.961 4.764 . 0 0 "[ . 1 . 2]" 2
963 1 40 ARG HB2 1 50 ALA MB . . 4.830 4.199 2.244 4.836 0.006 17 0 "[ . 1 . 2]" 2
964 1 50 ALA MB 1 53 LYS QD . . 4.830 3.664 3.162 4.422 . 0 0 "[ . 1 . 2]" 2
965 1 38 VAL MG1 1 50 ALA MB . . 3.490 2.765 2.239 3.348 . 0 0 "[ . 1 . 2]" 2
966 1 50 ALA MB 1 51 LEU MD2 . . 4.470 3.509 3.224 3.742 . 0 0 "[ . 1 . 2]" 2
967 1 17 ALA HA 1 18 PRO HD2 . . 3.170 2.308 2.154 2.481 . 0 0 "[ . 1 . 2]" 2
968 1 17 ALA HA 1 18 PRO HD3 . . 3.170 2.277 2.253 2.333 . 0 0 "[ . 1 . 2]" 2
969 1 17 ALA MB 1 29 ALA HA . . 4.980 4.644 4.038 4.972 . 0 0 "[ . 1 . 2]" 2
970 1 17 ALA MB 1 18 PRO HD2 . . 3.660 2.220 1.981 2.492 . 0 0 "[ . 1 . 2]" 2
971 1 17 ALA MB 1 18 PRO HD3 . . 3.660 3.383 3.135 3.598 . 0 0 "[ . 1 . 2]" 2
972 1 17 ALA MB 1 18 PRO QG . . 4.390 3.645 3.433 3.853 . 0 0 "[ . 1 . 2]" 2
973 1 41 GLY HA3 1 42 PRO HD2 . . 3.430 2.277 2.041 2.540 . 0 0 "[ . 1 . 2]" 2
974 1 41 GLY HA2 1 42 PRO HD2 . . 3.430 2.775 2.485 3.070 . 0 0 "[ . 1 . 2]" 2
975 1 41 GLY HA3 1 42 PRO HD3 . . 3.430 3.146 2.854 3.420 . 0 0 "[ . 1 . 2]" 2
976 1 41 GLY HA2 1 42 PRO HD3 . . 3.430 2.531 2.334 2.778 . 0 0 "[ . 1 . 2]" 2
977 1 10 ALA MB 1 14 PHE QD . . 4.470 3.538 3.253 3.932 . 0 0 "[ . 1 . 2]" 2
978 1 10 ALA MB 1 14 PHE QE . . 4.330 3.156 2.863 3.628 . 0 0 "[ . 1 . 2]" 2
979 1 10 ALA MB 1 52 TRP HA . . 4.540 2.941 2.753 3.155 . 0 0 "[ . 1 . 2]" 2
980 1 10 ALA MB 1 51 LEU HB2 . . 3.510 2.065 1.826 2.536 . 0 0 "[ . 1 . 2]" 2
981 1 10 ALA MB 1 51 LEU HG . . 4.640 3.946 3.578 4.545 . 0 0 "[ . 1 . 2]" 2
982 1 10 ALA MB 1 51 LEU HB3 . . 3.870 2.661 2.272 3.194 . 0 0 "[ . 1 . 2]" 2
983 1 10 ALA MB 1 51 LEU MD1 . . 3.910 2.452 2.129 3.086 . 0 0 "[ . 1 . 2]" 2
984 1 10 ALA MB 1 51 LEU MD2 . . 4.560 4.045 3.718 4.568 0.008 2 0 "[ . 1 . 2]" 2
985 1 54 HIS HE1 1 58 MET ME . . 4.070 2.043 1.970 2.221 . 0 0 "[ . 1 . 2]" 2
986 1 58 MET HA 1 58 MET ME . . 3.980 3.967 3.940 3.985 0.005 17 0 "[ . 1 . 2]" 2
987 1 57 SER QB 1 58 MET ME . . 5.120 4.604 4.402 4.930 . 0 0 "[ . 1 . 2]" 2
988 1 36 ARG QD 1 58 MET ME . . 4.060 3.293 2.529 4.062 0.002 2 0 "[ . 1 . 2]" 2
989 1 58 MET ME 1 58 MET HG2 . . 3.860 2.719 2.693 2.746 . 0 0 "[ . 1 . 2]" 2
990 1 58 MET ME 1 58 MET HG3 . . 3.860 3.370 3.364 3.373 . 0 0 "[ . 1 . 2]" 2
991 1 55 LEU MD2 1 63 LEU MD2 . . 3.520 2.688 2.386 2.959 . 0 0 "[ . 1 . 2]" 2
992 1 55 LEU MD1 1 63 LEU MD2 . . 3.530 2.208 2.039 2.559 . 0 0 "[ . 1 . 2]" 2
993 1 14 PHE QD 1 51 LEU MD1 . . 4.570 2.765 2.476 3.078 . 0 0 "[ . 1 . 2]" 2
994 1 16 LEU MD2 1 51 LEU MD2 . . 4.790 4.704 4.550 4.802 0.012 11 0 "[ . 1 . 2]" 2
995 1 11 TRP HH2 1 51 LEU MD2 . . 5.010 3.853 3.518 4.083 . 0 0 "[ . 1 . 2]" 2
996 1 14 PHE QD 1 51 LEU MD2 . . 4.420 2.688 2.494 2.892 . 0 0 "[ . 1 . 2]" 2
997 1 11 TRP HD1 1 51 LEU MD1 . . 5.290 3.768 3.450 4.391 . 0 0 "[ . 1 . 2]" 2
998 1 10 ALA MB 1 11 TRP HD1 . . 5.220 4.839 4.593 5.033 . 0 0 "[ . 1 . 2]" 2
999 1 11 TRP HH2 1 14 PHE HB2 . . 5.500 5.477 5.401 5.506 0.006 10 0 "[ . 1 . 2]" 2
1000 1 11 TRP HB3 1 11 TRP HZ3 . . 5.410 5.246 5.173 5.303 . 0 0 "[ . 1 . 2]" 2
1001 1 11 TRP HZ3 1 51 LEU MD1 . . 5.320 3.496 2.735 3.858 . 0 0 "[ . 1 . 2]" 2
1002 1 11 TRP HZ3 1 51 LEU MD2 . . 5.500 3.501 3.188 3.805 . 0 0 "[ . 1 . 2]" 2
1003 1 11 TRP HZ2 1 51 LEU MD2 . . 5.380 4.606 4.235 5.020 . 0 0 "[ . 1 . 2]" 2
1004 1 11 TRP HE3 1 16 LEU HG . . 5.240 4.212 3.949 4.425 . 0 0 "[ . 1 . 2]" 2
1005 1 11 TRP HE3 1 51 LEU MD1 . . 5.190 2.920 2.710 3.187 . 0 0 "[ . 1 . 2]" 2
1006 1 14 PHE QD 1 38 VAL HB . . 5.300 3.366 2.887 3.706 . 0 0 "[ . 1 . 2]" 2
1007 1 14 PHE QE 1 38 VAL H . . 5.390 4.443 4.080 4.740 . 0 0 "[ . 1 . 2]" 2
1008 1 13 TYR H 1 14 PHE QE . . 5.300 4.370 4.148 4.547 . 0 0 "[ . 1 . 2]" 2
1009 1 14 PHE H 1 14 PHE QE . . 5.500 5.103 4.962 5.222 . 0 0 "[ . 1 . 2]" 2
1010 1 11 TRP HA 1 14 PHE QE . . 5.500 5.101 4.900 5.249 . 0 0 "[ . 1 . 2]" 2
1011 1 14 PHE QE 1 52 TRP HA . . 5.500 4.568 4.286 4.933 . 0 0 "[ . 1 . 2]" 2
1012 1 13 TYR HA 1 14 PHE QE . . 5.500 5.237 4.913 5.511 0.011 12 0 "[ . 1 . 2]" 2
1013 1 14 PHE QE 1 38 VAL HA . . 5.500 5.279 5.024 5.492 . 0 0 "[ . 1 . 2]" 2
1014 1 14 PHE QE 1 51 LEU MD1 . . 5.000 3.834 3.591 4.122 . 0 0 "[ . 1 . 2]" 2
1015 1 14 PHE HZ 1 51 LEU HB2 . . 5.390 5.023 4.703 5.287 . 0 0 "[ . 1 . 2]" 2
1016 1 14 PHE HZ 1 38 VAL HB . . 5.100 4.700 4.427 4.953 . 0 0 "[ . 1 . 2]" 2
1017 1 38 VAL MG2 1 54 HIS HE1 . . 4.730 4.087 3.703 4.374 . 0 0 "[ . 1 . 2]" 2
1018 1 36 ARG HB3 1 54 HIS HE1 . . 4.220 3.902 2.970 4.219 . 0 0 "[ . 1 . 2]" 2
1019 1 36 ARG HB2 1 54 HIS HE1 . . 4.100 3.475 2.903 3.736 . 0 0 "[ . 1 . 2]" 2
1020 1 63 LEU MD2 1 68 HIS HD2 . . 5.420 3.916 2.609 5.423 0.003 12 0 "[ . 1 . 2]" 2
1021 1 7 GLY HA2 1 52 TRP HZ2 . . 4.850 4.194 3.198 4.753 . 0 0 "[ . 1 . 2]" 2
1022 1 52 TRP HH2 1 55 LEU MD1 . . 4.940 4.526 4.372 4.624 . 0 0 "[ . 1 . 2]" 2
1023 1 50 ALA MB 1 51 LEU MD1 . . 5.030 4.752 4.671 4.961 . 0 0 "[ . 1 . 2]" 2
1024 1 15 HIS HE1 1 30 THR MG . . 4.950 3.982 3.792 4.202 . 0 0 "[ . 1 . 2]" 2
1025 1 24 HIS HE1 1 26 ASN HB2 . . 4.670 3.795 2.998 4.680 0.010 19 0 "[ . 1 . 2]" 2
1026 1 9 GLU QG 1 68 HIS HE1 . . 5.150 2.990 1.992 4.407 . 0 0 "[ . 1 . 2]" 2
1027 1 37 GLN HA 1 38 VAL MG2 . . 4.390 3.715 3.550 3.917 . 0 0 "[ . 1 . 2]" 2
1028 1 7 GLY QA 1 52 TRP HE1 . . 3.710 3.408 2.307 3.713 0.003 9 0 "[ . 1 . 2]" 2
1029 1 7 GLY QA 1 52 TRP HZ2 . . 4.110 3.770 3.146 4.108 . 0 0 "[ . 1 . 2]" 2
1030 1 8 SER QB 1 11 TRP HE1 . . 4.240 3.742 2.971 4.213 . 0 0 "[ . 1 . 2]" 2
1031 1 8 SER QB 1 49 THR MG . . 4.750 4.553 3.903 4.754 0.004 4 0 "[ . 1 . 2]" 2
1032 1 9 GLU QB 1 10 ALA H . . 3.660 2.784 2.541 3.722 0.062 2 0 "[ . 1 . 2]" 2
1033 1 9 GLU QB 1 52 TRP HZ2 . . 3.470 2.087 1.968 3.481 0.011 2 0 "[ . 1 . 2]" 2
1034 1 9 GLU QB 1 68 HIS HE1 . . 4.710 3.917 2.655 4.718 0.008 11 0 "[ . 1 . 2]" 2
1035 1 11 TRP H 1 12 GLU QB . . 5.160 4.821 4.681 4.854 . 0 0 "[ . 1 . 2]" 2
1036 1 11 TRP HH2 1 40 ARG QG . . 5.340 3.769 2.774 4.359 . 0 0 "[ . 1 . 2]" 2
1037 1 12 GLU H 1 12 GLU QB . . 2.840 2.476 2.385 2.515 . 0 0 "[ . 1 . 2]" 2
1038 1 12 GLU QB 1 13 TYR H . . 3.510 3.087 2.958 3.581 0.071 11 0 "[ . 1 . 2]" 2
1039 1 12 GLU QB 1 14 PHE H . . 5.340 4.615 4.528 4.757 . 0 0 "[ . 1 . 2]" 2
1040 1 13 TYR HA 1 32 ARG QD . . 3.870 3.248 2.838 3.720 . 0 0 "[ . 1 . 2]" 2
1041 1 13 TYR QE 1 62 GLU QG . . 4.500 3.477 2.920 4.499 . 0 0 "[ . 1 . 2]" 2
1042 1 14 PHE H 1 32 ARG QD . . 3.800 2.915 2.160 3.574 . 0 0 "[ . 1 . 2]" 2
1043 1 16 LEU MD1 1 26 ASN QB . . 3.990 3.185 1.961 3.874 . 0 0 "[ . 1 . 2]" 2
1044 1 16 LEU MD1 1 26 ASN QD . . 4.330 2.347 1.720 3.841 . 0 0 "[ . 1 . 2]" 2
1045 1 16 LEU MD2 1 26 ASN QB . . 4.410 3.328 1.966 3.923 . 0 0 "[ . 1 . 2]" 2
1046 1 16 LEU MD2 1 26 ASN QD . . 5.340 3.353 1.893 4.914 . 0 0 "[ . 1 . 2]" 2
1047 1 17 ALA H 1 18 PRO QD . . 4.700 4.366 4.332 4.378 . 0 0 "[ . 1 . 2]" 2
1048 1 17 ALA HA 1 18 PRO QD . . 2.770 2.041 1.960 2.138 . 0 0 "[ . 1 . 2]" 2
1049 1 17 ALA MB 1 18 PRO QD . . 3.110 2.191 1.964 2.449 . 0 0 "[ . 1 . 2]" 2
1050 1 17 ALA MB 1 27 GLN QG . . 5.340 4.726 3.812 5.352 0.012 11 0 "[ . 1 . 2]" 2
1051 1 18 PRO QB 1 19 ALA H . . 3.920 2.957 2.708 3.224 . 0 0 "[ . 1 . 2]" 2
1052 1 19 ALA H 1 25 PRO QB . . 4.040 2.821 1.891 3.949 . 0 0 "[ . 1 . 2]" 2
1053 1 19 ALA MB 1 24 HIS QB . . 5.330 4.587 3.969 5.205 . 0 0 "[ . 1 . 2]" 2
1054 1 19 ALA MB 1 25 PRO QB . . 4.200 2.671 2.002 3.411 . 0 0 "[ . 1 . 2]" 2
1055 1 20 ARG QB 1 20 ARG QD . . 3.250 2.213 2.029 2.472 . 0 0 "[ . 1 . 2]" 2
1056 1 23 HIS QB 1 27 GLN QB . . 3.930 3.808 3.310 3.946 0.016 19 0 "[ . 1 . 2]" 2
1057 1 24 HIS QB 1 25 PRO QD . . 3.890 2.271 1.944 3.204 . 0 0 "[ . 1 . 2]" 2
1058 1 24 HIS HE1 1 26 ASN QB . . 4.100 3.258 2.686 4.095 . 0 0 "[ . 1 . 2]" 2
1059 1 25 PRO QB 1 26 ASN QD . . 5.180 4.335 2.322 5.185 0.005 10 0 "[ . 1 . 2]" 2
1060 1 26 ASN QB 1 26 ASN QD . . 3.080 2.248 2.074 2.546 . 0 0 "[ . 1 . 2]" 2
1061 1 27 GLN HA 1 27 GLN QG . . 3.680 3.003 2.346 3.441 . 0 0 "[ . 1 . 2]" 2
1062 1 27 GLN HA 1 27 GLN QE . . 4.820 4.256 2.245 4.747 . 0 0 "[ . 1 . 2]" 2
1063 1 27 GLN QB 1 27 GLN QE . . 3.760 2.622 1.895 3.630 . 0 0 "[ . 1 . 2]" 2
1064 1 27 GLN QB 1 28 TYR H . . 3.930 2.699 1.889 3.479 . 0 0 "[ . 1 . 2]" 2
1065 1 27 GLN QB 1 28 TYR QD . . 4.600 2.926 2.184 3.929 . 0 0 "[ . 1 . 2]" 2
1066 1 27 GLN QG 1 28 TYR QB . . 4.720 3.034 2.467 3.840 . 0 0 "[ . 1 . 2]" 2
1067 1 27 GLN QG 1 28 TYR QD . . 3.790 2.041 1.922 2.560 . 0 0 "[ . 1 . 2]" 2
1068 1 27 GLN QG 1 28 TYR QE . . 4.380 3.531 2.913 4.228 . 0 0 "[ . 1 . 2]" 2
1069 1 28 TYR QB 1 37 GLN QG . . 5.020 3.920 3.295 4.567 . 0 0 "[ . 1 . 2]" 2
1070 1 28 TYR QB 1 39 SER QB . . 4.710 3.943 3.471 4.662 . 0 0 "[ . 1 . 2]" 2
1071 1 28 TYR QD 1 39 SER QB . . 4.050 2.742 2.181 3.172 . 0 0 "[ . 1 . 2]" 2
1072 1 28 TYR QE 1 39 SER QB . . 3.730 2.532 1.995 2.787 . 0 0 "[ . 1 . 2]" 2
1073 1 29 ALA MB 1 40 ARG QG . . 4.860 3.889 3.343 4.607 . 0 0 "[ . 1 . 2]" 2
1074 1 30 THR MG 1 37 GLN QG . . 4.160 3.580 3.140 4.100 . 0 0 "[ . 1 . 2]" 2
1075 1 30 THR MG 1 37 GLN QE . . 4.300 3.437 1.885 4.300 . 0 0 "[ . 1 . 2]" 2
1076 1 32 ARG H 1 32 ARG QD . . 5.070 3.691 3.316 3.970 . 0 0 "[ . 1 . 2]" 2
1077 1 32 ARG HA 1 32 ARG QD . . 4.300 4.163 3.979 4.274 . 0 0 "[ . 1 . 2]" 2
1078 1 32 ARG HB3 1 32 ARG QD . . 3.450 2.744 2.362 3.082 . 0 0 "[ . 1 . 2]" 2
1079 1 33 LEU MD1 1 62 GLU QB . . 3.460 3.131 2.854 3.312 . 0 0 "[ . 1 . 2]" 2
1080 1 33 LEU MD1 1 62 GLU QG . . 3.610 2.690 2.167 3.474 . 0 0 "[ . 1 . 2]" 2
1081 1 33 LEU MD2 1 62 GLU QB . . 4.000 3.510 3.308 3.682 . 0 0 "[ . 1 . 2]" 2
1082 1 33 LEU MD2 1 62 GLU QG . . 3.630 2.555 2.127 3.067 . 0 0 "[ . 1 . 2]" 2
1083 1 34 CYS HB2 1 36 ARG QG . . 4.740 3.495 3.307 3.756 . 0 0 "[ . 1 . 2]" 2
1084 1 36 ARG H 1 36 ARG QG . . 3.400 3.101 2.709 3.315 . 0 0 "[ . 1 . 2]" 2
1085 1 36 ARG HA 1 37 GLN QG . . 5.340 3.802 3.243 4.560 . 0 0 "[ . 1 . 2]" 2
1086 1 36 ARG QG 1 37 GLN H . . 4.460 3.753 3.440 4.358 . 0 0 "[ . 1 . 2]" 2
1087 1 36 ARG QG 1 54 HIS HE1 . . 4.910 3.760 2.102 4.680 . 0 0 "[ . 1 . 2]" 2
1088 1 37 GLN H 1 37 GLN QG . . 3.210 2.549 2.156 3.163 . 0 0 "[ . 1 . 2]" 2
1089 1 37 GLN QG 1 38 VAL H . . 4.770 4.349 3.936 4.742 . 0 0 "[ . 1 . 2]" 2
1090 1 39 SER QB 1 40 ARG H . . 4.310 2.936 2.356 3.694 . 0 0 "[ . 1 . 2]" 2
1091 1 39 SER QB 1 41 GLY H . . 4.460 3.682 2.998 4.462 0.002 8 0 "[ . 1 . 2]" 2
1092 1 40 ARG H 1 40 ARG QB . . 3.660 2.547 2.141 2.989 . 0 0 "[ . 1 . 2]" 2
1093 1 40 ARG H 1 40 ARG QG . . 4.480 2.408 1.888 3.847 . 0 0 "[ . 1 . 2]" 2
1094 1 40 ARG HA 1 40 ARG QG . . 3.630 2.717 2.261 3.415 . 0 0 "[ . 1 . 2]" 2
1095 1 40 ARG QB 1 40 ARG QD . . 3.450 2.232 2.035 2.550 . 0 0 "[ . 1 . 2]" 2
1096 1 40 ARG QB 1 44 VAL HB . . 4.240 2.779 2.000 4.253 0.013 13 0 "[ . 1 . 2]" 2
1097 1 40 ARG QB 1 44 VAL QG . . 3.570 2.140 1.808 3.354 . 0 0 "[ . 1 . 2]" 2
1098 1 40 ARG QB 1 50 ALA MB . . 4.160 3.287 1.844 4.165 0.005 13 0 "[ . 1 . 2]" 2
1099 1 40 ARG QG 1 41 GLY H . . 4.260 3.423 1.857 4.233 . 0 0 "[ . 1 . 2]" 2
1100 1 40 ARG QG 1 44 VAL QG . . 4.480 2.919 1.893 3.820 . 0 0 "[ . 1 . 2]" 2
1101 1 40 ARG QG 1 50 ALA MB . . 5.050 3.439 2.316 4.833 . 0 0 "[ . 1 . 2]" 2
1102 1 40 ARG QG 1 51 LEU MD2 . . 4.950 3.872 2.814 4.952 0.002 5 0 "[ . 1 . 2]" 2
1103 1 40 ARG QD 1 44 VAL QG . . 3.830 2.714 1.771 3.870 0.040 8 0 "[ . 1 . 2]" 2
1104 1 41 GLY H 1 42 PRO QD . . 4.900 4.269 4.125 4.377 . 0 0 "[ . 1 . 2]" 2
1105 1 41 GLY QA 1 42 PRO QD . . 2.660 2.006 1.935 2.035 . 0 0 "[ . 1 . 2]" 2
1106 1 41 GLY QA 1 44 VAL QG . . 4.760 3.864 2.185 4.703 . 0 0 "[ . 1 . 2]" 2
1107 1 43 GLY QA 1 44 VAL QG . . 4.350 3.753 3.324 4.145 . 0 0 "[ . 1 . 2]" 2
1108 1 44 VAL HA 1 44 VAL QG . . 2.970 2.219 2.091 2.439 . 0 0 "[ . 1 . 2]" 2
1109 1 44 VAL QG 1 45 ASN QB . . 4.560 3.632 2.200 4.494 . 0 0 "[ . 1 . 2]" 2
1110 1 44 VAL QG 1 45 ASN QD . . 4.290 3.674 2.317 4.290 0.000 13 0 "[ . 1 . 2]" 2
1111 1 44 VAL QG 1 50 ALA MB . . 4.440 2.826 1.830 4.245 . 0 0 "[ . 1 . 2]" 2
1112 1 46 VAL HA 1 46 VAL QG . . 3.040 2.213 2.055 2.407 . 0 0 "[ . 1 . 2]" 2
1113 1 47 GLY QA 1 48 THR H . . 2.850 2.437 2.111 2.776 . 0 0 "[ . 1 . 2]" 2
1114 1 48 THR MG 1 53 LYS QG . . 4.290 2.528 1.833 3.707 . 0 0 "[ . 1 . 2]" 2
1115 1 50 ALA HA 1 53 LYS QG . . 4.110 3.530 2.684 4.136 0.026 10 0 "[ . 1 . 2]" 2
1116 1 50 ALA MB 1 53 LYS QG . . 5.340 4.701 4.181 5.003 . 0 0 "[ . 1 . 2]" 2
1117 1 52 TRP HZ3 1 68 HIS QB . . 4.460 2.786 1.944 3.539 . 0 0 "[ . 1 . 2]" 2
1118 1 52 TRP HH2 1 68 HIS QB . . 4.180 3.084 2.011 3.957 . 0 0 "[ . 1 . 2]" 2
1119 1 53 LYS H 1 53 LYS QG . . 3.620 2.586 1.901 3.407 . 0 0 "[ . 1 . 2]" 2
1120 1 53 LYS QE 1 53 LYS QG . . 3.480 2.202 2.040 2.477 . 0 0 "[ . 1 . 2]" 2
1121 1 53 LYS QG 1 54 HIS H . . 4.760 4.294 3.962 4.636 . 0 0 "[ . 1 . 2]" 2
1122 1 54 HIS HE1 1 58 MET QG . . 4.190 3.495 3.395 3.726 . 0 0 "[ . 1 . 2]" 2
1123 1 57 SER H 1 58 MET QG . . 4.430 4.134 3.967 4.278 . 0 0 "[ . 1 . 2]" 2
1124 1 57 SER QB 1 58 MET QG . . 4.650 3.477 3.289 3.729 . 0 0 "[ . 1 . 2]" 2
1125 1 58 MET H 1 58 MET QG . . 2.800 2.399 2.302 2.508 . 0 0 "[ . 1 . 2]" 2
1126 1 58 MET HA 1 58 MET QG . . 3.390 3.333 3.321 3.338 . 0 0 "[ . 1 . 2]" 2
1127 1 58 MET ME 1 58 MET QG . . 3.210 2.610 2.591 2.630 . 0 0 "[ . 1 . 2]" 2
1128 1 58 MET QG 1 59 HIS H . . 3.230 2.047 1.881 2.169 . 0 0 "[ . 1 . 2]" 2
1129 1 58 MET QG 1 59 HIS HD2 . . 3.750 2.715 2.527 2.928 . 0 0 "[ . 1 . 2]" 2
1130 1 58 MET QG 1 60 ARG H . . 5.310 4.226 4.166 4.279 . 0 0 "[ . 1 . 2]" 2
1131 1 59 HIS HA 1 62 GLU QB . . 4.080 3.108 2.887 3.321 . 0 0 "[ . 1 . 2]" 2
1132 1 59 HIS HB2 1 62 GLU QB . . 3.970 3.500 3.335 3.699 . 0 0 "[ . 1 . 2]" 2
1133 1 59 HIS HB3 1 62 GLU QB . . 3.430 2.012 1.973 2.226 . 0 0 "[ . 1 . 2]" 2
1134 1 59 HIS HB3 1 62 GLU QG . . 4.740 3.221 3.012 3.817 . 0 0 "[ . 1 . 2]" 2
1135 1 60 ARG QG 1 61 GLU H . . 3.850 3.560 3.308 3.852 0.002 6 0 "[ . 1 . 2]" 2
1136 1 60 ARG QG 1 61 GLU QG . . 4.600 3.681 3.152 4.265 . 0 0 "[ . 1 . 2]" 2
1137 1 60 ARG QG 1 64 GLU QG . . 3.970 2.965 2.560 3.687 . 0 0 "[ . 1 . 2]" 2
1138 1 62 GLU H 1 62 GLU QB . . 3.050 2.204 2.122 2.249 . 0 0 "[ . 1 . 2]" 2
1139 1 62 GLU H 1 62 GLU QG . . 3.880 3.853 3.500 4.017 0.137 19 0 "[ . 1 . 2]" 2
1140 1 62 GLU HA 1 62 GLU QB . . 2.630 2.370 2.293 2.492 . 0 0 "[ . 1 . 2]" 2
1141 1 62 GLU HA 1 62 GLU QG . . 3.430 2.688 2.157 2.918 . 0 0 "[ . 1 . 2]" 2
1142 1 62 GLU QB 1 63 LEU H . . 3.020 2.530 2.327 2.839 . 0 0 "[ . 1 . 2]" 2
1143 1 62 GLU QB 1 63 LEU HA . . 4.800 4.084 3.720 4.337 . 0 0 "[ . 1 . 2]" 2
1144 1 62 GLU QG 1 63 LEU H . . 4.820 3.708 3.012 4.649 . 0 0 "[ . 1 . 2]" 2
1145 1 63 LEU HA 1 68 HIS QB . . 4.130 3.174 2.512 3.865 . 0 0 "[ . 1 . 2]" 2
1146 1 63 LEU HB3 1 68 HIS QB . . 3.910 2.721 1.907 3.443 . 0 0 "[ . 1 . 2]" 2
1147 1 63 LEU MD2 1 68 HIS QB . . 3.600 3.010 2.286 3.500 . 0 0 "[ . 1 . 2]" 2
1148 1 64 GLU H 1 64 GLU QG . . 3.010 2.255 1.971 2.544 . 0 0 "[ . 1 . 2]" 2
1149 1 64 GLU HA 1 64 GLU QG . . 3.430 2.427 2.196 3.339 . 0 0 "[ . 1 . 2]" 2
1150 1 65 LYS H 1 65 LYS QG . . 4.150 3.271 1.959 4.028 . 0 0 "[ . 1 . 2]" 2
1151 1 65 LYS HA 1 65 LYS QG . . 3.390 2.493 2.218 3.331 . 0 0 "[ . 1 . 2]" 2
1152 1 65 LYS HA 1 65 LYS QD . . 5.050 3.593 2.298 4.206 . 0 0 "[ . 1 . 2]" 2
1153 1 72 GLY QA 1 73 PRO QD . . 2.780 1.984 1.842 2.263 . 0 0 "[ . 1 . 2]" 2
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