NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
509673 |
2yrg   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yrg
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 22
_Distance_constraint_stats_list.Viol_count 212
_Distance_constraint_stats_list.Viol_total 964.844
_Distance_constraint_stats_list.Viol_max 1.877
_Distance_constraint_stats_list.Viol_rms 0.3861
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1096
_Distance_constraint_stats_list.Viol_average_violations_only 0.2276
_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 17 CYS 0.105 0.014 20 0 "[ . 1 . 2]"
1 20 HIS 0.138 0.015 11 0 "[ . 1 . 2]"
1 28 CYS 0.116 0.024 6 0 "[ . 1 . 2]"
1 31 ASP 45.619 1.877 1 15 "[+*- ******* **** * 2]"
1 36 CYS 0.111 0.010 11 0 "[ . 1 . 2]"
1 39 CYS 0.109 0.015 11 0 "[ . 1 . 2]"
1 45 HIS 21.568 1.587 11 15 "[**- ******+ **** * 2]"
1 48 HIS 26.709 1.877 1 15 "[+** ******- **** * 2]"
2 1 ZN 0.027 0.004 12 0 "[ . 1 . 2]"
3 1 ZN 1.981 0.056 13 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 17 CYS SG 2 1 ZN ZN . 2.250 2.350 2.335 2.282 2.353 0.003 13 0 "[ . 1 . 2]" 1
2 1 20 HIS ND1 2 1 ZN ZN . . 2.050 2.031 1.993 2.051 0.001 12 0 "[ . 1 . 2]" 1
3 1 36 CYS SG 2 1 ZN ZN . 2.250 2.350 2.332 2.283 2.354 0.004 12 0 "[ . 1 . 2]" 1
4 1 39 CYS SG 2 1 ZN ZN . 2.250 2.350 2.332 2.282 2.352 0.002 7 0 "[ . 1 . 2]" 1
5 1 17 CYS SG 1 20 HIS ND1 . 3.500 3.700 3.686 3.564 3.714 0.014 20 0 "[ . 1 . 2]" 1
6 1 17 CYS SG 1 36 CYS SG . 3.650 3.850 3.776 3.650 3.859 0.009 11 0 "[ . 1 . 2]" 1
7 1 17 CYS SG 1 39 CYS SG . 3.650 3.850 3.786 3.646 3.858 0.008 14 0 "[ . 1 . 2]" 1
8 1 20 HIS ND1 1 36 CYS SG . 3.500 3.700 3.511 3.492 3.611 0.008 11 0 "[ . 1 . 2]" 1
9 1 20 HIS ND1 1 39 CYS SG . 3.500 3.700 3.617 3.490 3.715 0.015 11 0 "[ . 1 . 2]" 1
10 1 36 CYS SG 1 39 CYS SG . 3.650 3.850 3.720 3.640 3.845 0.010 11 0 "[ . 1 . 2]" 1
11 1 28 CYS SG 3 1 ZN ZN . 2.250 2.350 2.256 2.226 2.282 0.024 6 0 "[ . 1 . 2]" 1
12 1 45 HIS ND1 3 1 ZN ZN . . 2.050 2.086 2.074 2.106 0.056 13 0 "[ . 1 . 2]" 1
13 1 48 HIS ND1 3 1 ZN ZN . . 2.050 2.057 2.046 2.070 0.020 12 0 "[ . 1 . 2]" 1
14 1 28 CYS SG 1 45 HIS ND1 . 3.500 3.700 3.647 3.519 3.707 0.007 1 0 "[ . 1 . 2]" 1
15 1 28 CYS SG 1 48 HIS ND1 . 3.500 3.700 3.659 3.562 3.706 0.006 19 0 "[ . 1 . 2]" 1
16 1 31 ASP OD1 1 45 HIS ND1 . 3.160 3.360 4.290 3.138 4.947 1.587 11 15 "[**- ******+ **** * 2]" 1
17 1 31 ASP OD1 1 48 HIS ND1 . 3.160 3.360 4.612 3.147 5.237 1.877 1 15 "[+** ******- **** * 2]" 1
18 1 45 HIS ND1 1 48 HIS ND1 . 3.160 3.360 3.378 3.369 3.404 0.044 6 0 "[ . 1 . 2]" 1
19 1 45 HIS CD2 3 1 ZN ZN . 4.150 . 4.250 4.232 4.277 . 0 0 "[ . 1 . 2]" 1
20 1 45 HIS NE2 3 1 ZN ZN . 4.150 . 4.113 4.101 4.129 0.049 13 0 "[ . 1 . 2]" 1
21 1 48 HIS CD2 3 1 ZN ZN . 4.150 . 4.185 4.159 4.216 . 0 0 "[ . 1 . 2]" 1
22 1 48 HIS NE2 3 1 ZN ZN . 4.150 . 4.135 4.120 4.141 0.030 6 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 943
_Distance_constraint_stats_list.Viol_count 629
_Distance_constraint_stats_list.Viol_total 360.464
_Distance_constraint_stats_list.Viol_max 0.246
_Distance_constraint_stats_list.Viol_rms 0.0079
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0287
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.180 0.083 2 0 "[ . 1 . 2]"
1 10 GLU 0.180 0.083 2 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.309 0.088 14 0 "[ . 1 . 2]"
1 13 LYS 1.056 0.136 14 0 "[ . 1 . 2]"
1 14 VAL 2.100 0.136 14 0 "[ . 1 . 2]"
1 15 ASP 0.168 0.096 17 0 "[ . 1 . 2]"
1 16 HIS 0.356 0.076 12 0 "[ . 1 . 2]"
1 17 CYS 0.343 0.056 15 0 "[ . 1 . 2]"
1 18 ALA 0.158 0.037 6 0 "[ . 1 . 2]"
1 19 ARG 0.294 0.037 6 0 "[ . 1 . 2]"
1 20 HIS 0.400 0.090 10 0 "[ . 1 . 2]"
1 21 GLY 0.523 0.079 11 0 "[ . 1 . 2]"
1 22 GLU 2.039 0.162 15 0 "[ . 1 . 2]"
1 23 LYS 0.977 0.146 17 0 "[ . 1 . 2]"
1 24 LEU 1.177 0.146 17 0 "[ . 1 . 2]"
1 25 LEU 0.986 0.246 18 0 "[ . 1 . 2]"
1 26 LEU 0.849 0.133 11 0 "[ . 1 . 2]"
1 27 PHE 1.283 0.088 11 0 "[ . 1 . 2]"
1 28 CYS 0.502 0.061 6 0 "[ . 1 . 2]"
1 29 GLN 1.492 0.174 20 0 "[ . 1 . 2]"
1 30 GLU 0.548 0.154 6 0 "[ . 1 . 2]"
1 31 ASP 0.844 0.061 6 0 "[ . 1 . 2]"
1 32 GLY 0.252 0.033 12 0 "[ . 1 . 2]"
1 33 LYS 2.388 0.112 12 0 "[ . 1 . 2]"
1 34 VAL 0.642 0.055 4 0 "[ . 1 . 2]"
1 35 ILE 1.674 0.112 12 0 "[ . 1 . 2]"
1 36 CYS 0.338 0.058 12 0 "[ . 1 . 2]"
1 37 TRP 1.175 0.162 15 0 "[ . 1 . 2]"
1 38 LEU 0.858 0.090 10 0 "[ . 1 . 2]"
1 39 CYS 0.417 0.070 15 0 "[ . 1 . 2]"
1 40 GLU 0.182 0.060 15 0 "[ . 1 . 2]"
1 41 ARG 0.431 0.205 13 0 "[ . 1 . 2]"
1 42 SER 0.258 0.035 5 0 "[ . 1 . 2]"
1 43 GLN 0.471 0.121 3 0 "[ . 1 . 2]"
1 44 GLU 0.213 0.170 10 0 "[ . 1 . 2]"
1 45 HIS 1.981 0.218 19 0 "[ . 1 . 2]"
1 46 ARG 1.934 0.218 19 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 HIS 0.687 0.117 6 0 "[ . 1 . 2]"
1 49 HIS 0.428 0.057 17 0 "[ . 1 . 2]"
1 50 THR 0.818 0.133 11 0 "[ . 1 . 2]"
1 51 PHE 0.777 0.063 17 0 "[ . 1 . 2]"
1 52 PRO 0.201 0.049 12 0 "[ . 1 . 2]"
1 53 THR 0.366 0.052 12 0 "[ . 1 . 2]"
1 54 SER 0.090 0.049 12 0 "[ . 1 . 2]"
1 55 GLY 0.092 0.052 12 0 "[ . 1 . 2]"
1 56 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 43 GLN HA 1 46 ARG H . . 3.650 3.151 2.828 3.451 . 0 0 "[ . 1 . 2]" 2
2 1 45 HIS HB2 1 46 ARG H . . 4.200 3.859 3.546 3.934 . 0 0 "[ . 1 . 2]" 2
3 1 46 ARG H 1 46 ARG QB . . 2.670 2.244 2.114 2.389 . 0 0 "[ . 1 . 2]" 2
4 1 46 ARG H 1 46 ARG QG . . 3.910 3.354 2.380 4.009 0.099 17 0 "[ . 1 . 2]" 2
5 1 48 HIS HB3 1 49 HIS H . . 3.510 3.109 2.664 3.451 . 0 0 "[ . 1 . 2]" 2
6 1 49 HIS H 1 49 HIS QB . . 3.550 2.278 2.169 2.452 . 0 0 "[ . 1 . 2]" 2
7 1 48 HIS HB2 1 49 HIS H . . 4.190 4.084 3.736 4.229 0.039 9 0 "[ . 1 . 2]" 2
8 1 15 ASP H 1 15 ASP QB . . 3.340 3.188 2.904 3.260 . 0 0 "[ . 1 . 2]" 2
9 1 14 VAL MG2 1 15 ASP H . . 3.770 3.178 2.996 3.243 . 0 0 "[ . 1 . 2]" 2
10 1 15 ASP HA 1 24 LEU H . . 4.750 4.679 4.550 4.846 0.096 17 0 "[ . 1 . 2]" 2
11 1 23 LYS HA 1 24 LEU H . . 2.950 2.162 2.141 2.210 . 0 0 "[ . 1 . 2]" 2
12 1 24 LEU H 1 24 LEU HB2 . . 3.260 2.521 2.426 2.604 . 0 0 "[ . 1 . 2]" 2
13 1 24 LEU H 1 24 LEU HG . . 3.410 2.359 2.058 2.516 . 0 0 "[ . 1 . 2]" 2
14 1 24 LEU H 1 24 LEU HB3 . . 3.680 3.624 3.589 3.663 . 0 0 "[ . 1 . 2]" 2
15 1 14 VAL MG1 1 24 LEU H . . 5.500 4.672 4.420 5.122 . 0 0 "[ . 1 . 2]" 2
16 1 16 HIS H 1 17 CYS H . . 4.700 4.526 4.492 4.550 . 0 0 "[ . 1 . 2]" 2
17 1 17 CYS H 1 24 LEU H . . 4.000 3.842 3.404 4.041 0.041 20 0 "[ . 1 . 2]" 2
18 1 17 CYS H 1 22 GLU H . . 3.780 3.624 3.073 3.807 0.027 19 0 "[ . 1 . 2]" 2
19 1 17 CYS H 1 21 GLY HA2 . . 4.000 3.687 3.462 3.921 . 0 0 "[ . 1 . 2]" 2
20 1 17 CYS H 1 23 LYS HA . . 4.300 3.588 3.304 4.061 . 0 0 "[ . 1 . 2]" 2
21 1 17 CYS H 1 20 HIS HB2 . . 5.500 5.162 4.834 5.349 . 0 0 "[ . 1 . 2]" 2
22 1 17 CYS H 1 36 CYS HB2 . . 5.500 4.944 4.731 5.166 . 0 0 "[ . 1 . 2]" 2
23 1 17 CYS H 1 17 CYS HB3 . . 3.050 2.668 2.616 2.719 . 0 0 "[ . 1 . 2]" 2
24 1 17 CYS H 1 17 CYS HB2 . . 3.050 2.394 2.354 2.440 . 0 0 "[ . 1 . 2]" 2
25 1 16 HIS HB3 1 17 CYS H . . 3.510 3.338 3.155 3.444 . 0 0 "[ . 1 . 2]" 2
26 1 17 CYS H 1 24 LEU HG . . 3.600 2.763 2.531 2.953 . 0 0 "[ . 1 . 2]" 2
27 1 13 LYS H 1 14 VAL H . . 4.600 4.264 3.943 4.386 . 0 0 "[ . 1 . 2]" 2
28 1 12 GLN HA 1 13 LYS H . . 2.960 2.167 2.140 2.290 . 0 0 "[ . 1 . 2]" 2
29 1 13 LYS H 1 13 LYS HB2 . . 3.900 3.285 2.211 3.796 . 0 0 "[ . 1 . 2]" 2
30 1 13 LYS H 1 13 LYS HB3 . . 3.900 3.070 2.613 3.753 . 0 0 "[ . 1 . 2]" 2
31 1 25 LEU H 1 26 LEU H . . 2.930 2.032 1.943 2.225 . 0 0 "[ . 1 . 2]" 2
32 1 24 LEU HA 1 25 LEU H . . 2.790 2.174 2.163 2.179 . 0 0 "[ . 1 . 2]" 2
33 1 25 LEU H 1 25 LEU HB3 . . 3.820 3.762 3.739 3.775 . 0 0 "[ . 1 . 2]" 2
34 1 25 LEU H 1 25 LEU HB2 . . 3.140 2.662 2.625 2.712 . 0 0 "[ . 1 . 2]" 2
35 1 25 LEU H 1 25 LEU HG . . 3.330 2.788 2.644 3.576 0.246 18 0 "[ . 1 . 2]" 2
36 1 24 LEU HB3 1 25 LEU H . . 4.140 3.779 3.733 3.803 . 0 0 "[ . 1 . 2]" 2
37 1 25 LEU H 1 25 LEU MD1 . . 4.130 3.794 1.922 3.948 . 0 0 "[ . 1 . 2]" 2
38 1 25 LEU H 1 25 LEU MD2 . . 4.130 3.722 3.592 4.011 . 0 0 "[ . 1 . 2]" 2
39 1 27 PHE H 1 51 PHE H . . 3.360 2.236 1.914 2.786 . 0 0 "[ . 1 . 2]" 2
40 1 27 PHE H 1 53 THR H . . 4.140 3.479 2.873 4.156 0.016 1 0 "[ . 1 . 2]" 2
41 1 27 PHE H 1 27 PHE QD . . 4.560 4.314 4.235 4.371 . 0 0 "[ . 1 . 2]" 2
42 1 27 PHE H 1 50 THR HA . . 4.430 3.865 3.499 4.451 0.021 11 0 "[ . 1 . 2]" 2
43 1 26 LEU HA 1 27 PHE H . . 2.890 2.299 2.143 2.458 . 0 0 "[ . 1 . 2]" 2
44 1 27 PHE H 1 50 THR HB . . 4.150 3.060 2.185 4.133 . 0 0 "[ . 1 . 2]" 2
45 1 27 PHE H 1 27 PHE HB2 . . 3.290 2.998 2.692 3.224 . 0 0 "[ . 1 . 2]" 2
46 1 27 PHE H 1 27 PHE HB3 . . 3.270 2.747 2.591 2.892 . 0 0 "[ . 1 . 2]" 2
47 1 26 LEU HB2 1 27 PHE H . . 4.200 3.790 3.501 4.288 0.088 11 0 "[ . 1 . 2]" 2
48 1 27 PHE H 1 53 THR MG . . 3.630 3.404 2.653 3.677 0.047 17 0 "[ . 1 . 2]" 2
49 1 27 PHE H 1 50 THR MG . . 4.400 4.087 3.667 4.406 0.006 11 0 "[ . 1 . 2]" 2
50 1 26 LEU HB3 1 27 PHE H . . 3.560 2.731 2.291 3.355 . 0 0 "[ . 1 . 2]" 2
51 1 30 GLU H 1 31 ASP H . . 3.680 2.714 2.555 2.950 . 0 0 "[ . 1 . 2]" 2
52 1 30 GLU H 1 48 HIS HB3 . . 4.620 3.561 3.030 3.782 . 0 0 "[ . 1 . 2]" 2
53 1 29 GLN QB 1 30 GLU H . . 3.650 2.866 2.205 3.524 . 0 0 "[ . 1 . 2]" 2
54 1 30 GLU H 1 30 GLU QG . . 3.780 2.842 2.210 3.934 0.154 6 0 "[ . 1 . 2]" 2
55 1 30 GLU H 1 30 GLU HB2 . . 3.630 2.345 2.169 2.712 . 0 0 "[ . 1 . 2]" 2
56 1 30 GLU H 1 30 GLU HB3 . . 3.630 3.379 2.355 3.609 . 0 0 "[ . 1 . 2]" 2
57 1 14 VAL H 1 15 ASP H . . 4.170 3.933 3.831 4.059 . 0 0 "[ . 1 . 2]" 2
58 1 13 LYS HA 1 14 VAL H . . 2.580 2.163 2.148 2.179 . 0 0 "[ . 1 . 2]" 2
59 1 13 LYS HB2 1 14 VAL H . . 4.510 3.953 3.711 4.564 0.054 18 0 "[ . 1 . 2]" 2
60 1 14 VAL H 1 14 VAL MG1 . . 2.920 1.998 1.827 2.095 . 0 0 "[ . 1 . 2]" 2
61 1 9 PRO HA 1 10 GLU H . . 3.490 3.434 3.278 3.573 0.083 2 0 "[ . 1 . 2]" 2
62 1 10 GLU H 1 10 GLU QG . . 4.140 3.254 2.057 4.124 . 0 0 "[ . 1 . 2]" 2
63 1 9 PRO QG 1 10 GLU H . . 3.730 2.746 1.875 3.331 . 0 0 "[ . 1 . 2]" 2
64 1 23 LYS H 1 23 LYS QD . . 4.740 3.460 3.110 4.656 . 0 0 "[ . 1 . 2]" 2
65 1 23 LYS H 1 23 LYS HG3 . . 4.310 2.209 1.805 3.024 . 0 0 "[ . 1 . 2]" 2
66 1 25 LEU HB2 1 26 LEU H . . 4.420 3.525 3.382 3.787 . 0 0 "[ . 1 . 2]" 2
67 1 26 LEU H 1 26 LEU HB2 . . 4.090 2.573 2.436 2.738 . 0 0 "[ . 1 . 2]" 2
68 1 26 LEU H 1 26 LEU HG . . 4.290 3.010 2.564 4.336 0.046 11 0 "[ . 1 . 2]" 2
69 1 11 GLY QA 1 12 GLN H . . 3.060 2.202 2.111 2.719 . 0 0 "[ . 1 . 2]" 2
70 1 12 GLN H 1 12 GLN QG . . 3.960 2.586 1.877 3.906 . 0 0 "[ . 1 . 2]" 2
71 1 12 GLN H 1 12 GLN HB2 . . 3.720 2.859 2.207 3.631 . 0 0 "[ . 1 . 2]" 2
72 1 12 GLN H 1 12 GLN HB3 . . 3.720 3.314 2.592 3.723 0.003 8 0 "[ . 1 . 2]" 2
73 1 47 GLY H 1 48 HIS H . . 3.360 2.735 2.365 2.982 . 0 0 "[ . 1 . 2]" 2
74 1 48 HIS H 1 48 HIS HD2 . . 3.380 2.632 2.185 3.209 . 0 0 "[ . 1 . 2]" 2
75 1 46 ARG HA 1 48 HIS H . . 3.820 3.444 3.342 3.632 . 0 0 "[ . 1 . 2]" 2
76 1 48 HIS H 1 48 HIS HB3 . . 3.850 3.618 3.591 3.697 . 0 0 "[ . 1 . 2]" 2
77 1 45 HIS HA 1 48 HIS H . . 4.820 4.360 3.943 4.779 . 0 0 "[ . 1 . 2]" 2
78 1 48 HIS H 1 48 HIS HB2 . . 2.840 2.517 2.362 2.614 . 0 0 "[ . 1 . 2]" 2
79 1 46 ARG QB 1 48 HIS H . . 4.990 4.658 4.383 4.893 . 0 0 "[ . 1 . 2]" 2
80 1 26 LEU H 1 35 ILE H . . 4.060 3.864 3.676 4.102 0.042 11 0 "[ . 1 . 2]" 2
81 1 35 ILE H 1 35 ILE HG13 . . 3.510 3.042 2.913 3.287 . 0 0 "[ . 1 . 2]" 2
82 1 34 VAL HB 1 35 ILE H . . 3.780 3.354 3.094 3.734 . 0 0 "[ . 1 . 2]" 2
83 1 35 ILE H 1 35 ILE HG12 . . 3.590 2.352 2.082 2.574 . 0 0 "[ . 1 . 2]" 2
84 1 33 LYS HB2 1 34 VAL H . . 3.470 2.713 2.099 3.012 . 0 0 "[ . 1 . 2]" 2
85 1 33 LYS HA 1 34 VAL H . . 2.690 2.304 2.204 2.557 . 0 0 "[ . 1 . 2]" 2
86 1 19 ARG H 1 21 GLY H . . 3.950 3.271 2.968 3.588 . 0 0 "[ . 1 . 2]" 2
87 1 19 ARG H 1 19 ARG HG3 . . 4.640 4.589 4.544 4.665 0.025 6 0 "[ . 1 . 2]" 2
88 1 19 ARG H 1 20 HIS H . . 2.950 2.220 2.017 2.486 . 0 0 "[ . 1 . 2]" 2
89 1 19 ARG H 1 19 ARG HB2 . . 3.070 2.953 2.858 3.086 0.016 14 0 "[ . 1 . 2]" 2
90 1 19 ARG H 1 19 ARG HB3 . . 3.080 2.431 2.377 2.494 . 0 0 "[ . 1 . 2]" 2
91 1 51 PHE H 1 51 PHE QD . . 3.850 2.513 2.192 3.035 . 0 0 "[ . 1 . 2]" 2
92 1 50 THR HA 1 51 PHE H . . 2.950 2.285 2.203 2.351 . 0 0 "[ . 1 . 2]" 2
93 1 28 CYS HA 1 51 PHE H . . 4.380 4.106 3.842 4.414 0.034 6 0 "[ . 1 . 2]" 2
94 1 50 THR HB 1 51 PHE H . . 3.330 2.718 2.512 3.011 . 0 0 "[ . 1 . 2]" 2
95 1 51 PHE H 1 51 PHE HB3 . . 4.030 3.846 3.749 3.950 . 0 0 "[ . 1 . 2]" 2
96 1 51 PHE H 1 51 PHE HB2 . . 3.790 2.783 2.589 2.980 . 0 0 "[ . 1 . 2]" 2
97 1 27 PHE HB3 1 51 PHE H . . 4.130 3.188 2.822 3.653 . 0 0 "[ . 1 . 2]" 2
98 1 50 THR MG 1 51 PHE H . . 3.950 3.758 3.561 3.949 . 0 0 "[ . 1 . 2]" 2
99 1 16 HIS H 1 16 HIS HB2 . . 3.660 2.230 2.183 2.323 . 0 0 "[ . 1 . 2]" 2
100 1 36 CYS H 1 36 CYS HB3 . . 3.620 2.856 2.703 3.034 . 0 0 "[ . 1 . 2]" 2
101 1 35 ILE HB 1 36 CYS H . . 3.290 2.526 2.255 2.784 . 0 0 "[ . 1 . 2]" 2
102 1 35 ILE MG 1 36 CYS H . . 3.970 3.794 3.675 3.892 . 0 0 "[ . 1 . 2]" 2
103 1 36 CYS H 1 39 CYS HB3 . . 3.640 3.440 3.155 3.651 0.011 16 0 "[ . 1 . 2]" 2
104 1 42 SER H 1 45 HIS H . . 4.180 3.982 3.621 4.199 0.019 13 0 "[ . 1 . 2]" 2
105 1 41 ARG H 1 42 SER H . . 3.130 2.514 2.127 2.757 . 0 0 "[ . 1 . 2]" 2
106 1 42 SER H 1 42 SER HB3 . . 3.590 2.838 2.411 3.564 . 0 0 "[ . 1 . 2]" 2
107 1 39 CYS HA 1 42 SER H . . 3.980 3.396 2.922 3.897 . 0 0 "[ . 1 . 2]" 2
108 1 41 ARG HB2 1 42 SER H . . 4.440 4.069 3.484 4.415 . 0 0 "[ . 1 . 2]" 2
109 1 41 ARG QG 1 42 SER H . . 4.620 3.377 2.378 4.494 . 0 0 "[ . 1 . 2]" 2
110 1 41 ARG HB3 1 42 SER H . . 4.440 4.150 3.420 4.435 . 0 0 "[ . 1 . 2]" 2
111 1 21 GLY H 1 22 GLU H . . 3.280 2.404 2.202 2.674 . 0 0 "[ . 1 . 2]" 2
112 1 20 HIS HB2 1 22 GLU H . . 3.360 2.503 2.398 2.662 . 0 0 "[ . 1 . 2]" 2
113 1 20 HIS HB3 1 22 GLU H . . 3.570 3.464 3.128 3.625 0.055 12 0 "[ . 1 . 2]" 2
114 1 17 CYS HB3 1 22 GLU H . . 3.210 2.644 2.150 2.831 . 0 0 "[ . 1 . 2]" 2
115 1 17 CYS HB2 1 22 GLU H . . 3.960 3.794 3.246 3.966 0.006 5 0 "[ . 1 . 2]" 2
116 1 22 GLU H 1 22 GLU HB2 . . 3.630 2.220 2.173 2.284 . 0 0 "[ . 1 . 2]" 2
117 1 22 GLU H 1 22 GLU HB3 . . 3.630 3.510 3.479 3.550 . 0 0 "[ . 1 . 2]" 2
118 1 22 GLU H 1 22 GLU QG . . 3.640 3.330 2.749 3.670 0.030 8 0 "[ . 1 . 2]" 2
119 1 53 THR HB 1 54 SER H . . 4.070 3.943 3.643 4.062 . 0 0 "[ . 1 . 2]" 2
120 1 20 HIS H 1 21 GLY HA2 . . 4.490 4.223 4.162 4.436 . 0 0 "[ . 1 . 2]" 2
121 1 20 HIS H 1 20 HIS HB2 . . 3.550 2.665 2.515 2.753 . 0 0 "[ . 1 . 2]" 2
122 1 20 HIS H 1 20 HIS HB3 . . 3.900 3.758 3.672 3.789 . 0 0 "[ . 1 . 2]" 2
123 1 17 CYS HB3 1 20 HIS H . . 3.950 2.484 2.370 2.616 . 0 0 "[ . 1 . 2]" 2
124 1 19 ARG HG2 1 20 HIS H . . 3.640 3.508 3.159 3.651 0.011 12 0 "[ . 1 . 2]" 2
125 1 19 ARG HB3 1 20 HIS H . . 3.600 2.578 2.345 2.812 . 0 0 "[ . 1 . 2]" 2
126 1 28 CYS HB3 1 33 LYS H . . 4.110 2.359 2.256 2.548 . 0 0 "[ . 1 . 2]" 2
127 1 33 LYS H 1 33 LYS HB3 . . 4.060 3.288 3.070 3.401 . 0 0 "[ . 1 . 2]" 2
128 1 33 LYS H 1 33 LYS HB2 . . 3.810 3.782 3.732 3.827 0.017 6 0 "[ . 1 . 2]" 2
129 1 33 LYS H 1 33 LYS HG2 . . 4.050 3.268 2.622 3.625 . 0 0 "[ . 1 . 2]" 2
130 1 33 LYS H 1 33 LYS HG3 . . 4.050 2.150 1.890 2.690 . 0 0 "[ . 1 . 2]" 2
131 1 52 PRO HB3 1 53 THR H . . 4.630 4.470 4.093 4.548 . 0 0 "[ . 1 . 2]" 2
132 1 28 CYS HB3 1 31 ASP H . . 4.880 2.966 2.822 3.292 . 0 0 "[ . 1 . 2]" 2
133 1 52 PRO HA 1 53 THR H . . 3.340 2.343 2.150 2.409 . 0 0 "[ . 1 . 2]" 2
134 1 49 HIS HA 1 50 THR H . . 2.700 2.143 2.138 2.157 . 0 0 "[ . 1 . 2]" 2
135 1 49 HIS QB 1 50 THR H . . 3.890 3.406 3.151 3.811 . 0 0 "[ . 1 . 2]" 2
136 1 50 THR H 1 50 THR MG . . 3.280 2.909 2.591 3.280 0.000 6 0 "[ . 1 . 2]" 2
137 1 31 ASP H 1 32 GLY H . . 2.910 2.071 1.902 2.224 . 0 0 "[ . 1 . 2]" 2
138 1 27 PHE QE 1 32 GLY H . . 4.360 4.345 4.279 4.388 0.028 1 0 "[ . 1 . 2]" 2
139 1 32 GLY H 1 33 LYS H . . 3.180 2.491 2.308 2.635 . 0 0 "[ . 1 . 2]" 2
140 1 29 GLN HA 1 32 GLY H . . 3.740 3.273 2.993 3.574 . 0 0 "[ . 1 . 2]" 2
141 1 32 GLY H 1 32 GLY HA2 . . 2.880 2.313 2.297 2.344 . 0 0 "[ . 1 . 2]" 2
142 1 32 GLY H 1 32 GLY HA3 . . 2.880 2.868 2.827 2.913 0.033 12 0 "[ . 1 . 2]" 2
143 1 31 ASP HB2 1 32 GLY H . . 3.770 2.985 2.733 3.151 . 0 0 "[ . 1 . 2]" 2
144 1 28 CYS HB2 1 32 GLY H . . 4.750 4.524 4.220 4.769 0.019 10 0 "[ . 1 . 2]" 2
145 1 40 GLU H 1 41 ARG H . . 3.860 2.807 2.638 2.936 . 0 0 "[ . 1 . 2]" 2
146 1 38 LEU HA 1 41 ARG H . . 4.090 3.777 3.500 4.041 . 0 0 "[ . 1 . 2]" 2
147 1 40 GLU QG 1 41 ARG H . . 4.060 3.652 3.341 4.120 0.060 15 0 "[ . 1 . 2]" 2
148 1 41 ARG H 1 41 ARG HB2 . . 3.670 3.127 2.378 3.628 . 0 0 "[ . 1 . 2]" 2
149 1 41 ARG H 1 41 ARG QG . . 3.350 2.465 2.236 3.555 0.205 13 0 "[ . 1 . 2]" 2
150 1 41 ARG H 1 41 ARG HB3 . . 3.670 2.918 2.241 3.647 . 0 0 "[ . 1 . 2]" 2
151 1 44 GLU H 1 45 HIS H . . 3.870 2.652 2.452 2.893 . 0 0 "[ . 1 . 2]" 2
152 1 45 HIS H 1 45 HIS HB2 . . 3.720 2.499 2.436 2.566 . 0 0 "[ . 1 . 2]" 2
153 1 45 HIS H 1 45 HIS HB3 . . 3.730 3.692 3.652 3.736 0.006 2 0 "[ . 1 . 2]" 2
154 1 44 GLU HG2 1 45 HIS H . . 5.030 4.342 2.176 5.032 0.002 3 0 "[ . 1 . 2]" 2
155 1 44 GLU HB2 1 45 HIS H . . 3.960 3.196 2.419 3.978 0.018 10 0 "[ . 1 . 2]" 2
156 1 45 HIS H 1 46 ARG QB . . 4.150 3.884 3.672 4.078 . 0 0 "[ . 1 . 2]" 2
157 1 44 GLU HB3 1 45 HIS H . . 3.960 3.048 2.388 3.708 . 0 0 "[ . 1 . 2]" 2
158 1 29 GLN H 1 30 GLU H . . 3.420 2.324 2.221 2.659 . 0 0 "[ . 1 . 2]" 2
159 1 29 GLN H 1 50 THR HA . . 3.580 3.449 3.293 3.658 0.078 19 0 "[ . 1 . 2]" 2
160 1 28 CYS HA 1 29 GLN H . . 2.710 2.180 2.147 2.220 . 0 0 "[ . 1 . 2]" 2
161 1 29 GLN H 1 29 GLN HG3 . . 3.950 3.261 1.896 3.848 . 0 0 "[ . 1 . 2]" 2
162 1 29 GLN H 1 29 GLN QB . . 2.770 2.394 2.209 2.774 0.004 5 0 "[ . 1 . 2]" 2
163 1 29 GLN H 1 50 THR MG . . 3.740 3.659 3.397 3.763 0.023 17 0 "[ . 1 . 2]" 2
164 1 29 GLN H 1 51 PHE QD . . 4.790 4.245 3.761 4.561 . 0 0 "[ . 1 . 2]" 2
165 1 29 GLN H 1 51 PHE QE . . 5.060 4.036 3.499 4.903 . 0 0 "[ . 1 . 2]" 2
166 1 10 GLU HA 1 11 GLY H . . 3.280 2.463 2.143 3.114 . 0 0 "[ . 1 . 2]" 2
167 1 17 CYS H 1 21 GLY H . . 4.210 3.667 3.554 3.851 . 0 0 "[ . 1 . 2]" 2
168 1 20 HIS H 1 21 GLY H . . 3.010 1.984 1.886 2.235 . 0 0 "[ . 1 . 2]" 2
169 1 21 GLY H 1 21 GLY HA2 . . 2.860 2.395 2.344 2.440 . 0 0 "[ . 1 . 2]" 2
170 1 20 HIS HB2 1 21 GLY H . . 3.940 2.760 2.562 2.964 . 0 0 "[ . 1 . 2]" 2
171 1 20 HIS HB3 1 21 GLY H . . 4.210 3.886 3.677 4.027 . 0 0 "[ . 1 . 2]" 2
172 1 17 CYS HB3 1 21 GLY H . . 3.470 1.882 1.850 1.929 . 0 0 "[ . 1 . 2]" 2
173 1 17 CYS HB2 1 21 GLY H . . 3.820 3.619 3.591 3.673 . 0 0 "[ . 1 . 2]" 2
174 1 27 PHE QD 1 28 CYS H . . 4.480 3.782 3.641 3.896 . 0 0 "[ . 1 . 2]" 2
175 1 28 CYS H 1 33 LYS H . . 4.710 3.447 3.330 3.612 . 0 0 "[ . 1 . 2]" 2
176 1 28 CYS H 1 28 CYS HB3 . . 3.710 2.775 2.529 2.860 . 0 0 "[ . 1 . 2]" 2
177 1 38 LEU H 1 39 CYS H . . 2.950 2.864 2.779 2.956 0.006 7 0 "[ . 1 . 2]" 2
178 1 37 TRP HA 1 39 CYS H . . 4.580 4.393 4.097 4.609 0.029 20 0 "[ . 1 . 2]" 2
179 1 39 CYS H 1 39 CYS HB3 . . 3.720 3.554 3.498 3.586 . 0 0 "[ . 1 . 2]" 2
180 1 36 CYS HB2 1 39 CYS H . . 4.310 4.216 4.014 4.368 0.058 12 0 "[ . 1 . 2]" 2
181 1 39 CYS H 1 39 CYS HB2 . . 3.720 2.304 2.190 2.391 . 0 0 "[ . 1 . 2]" 2
182 1 35 ILE HB 1 39 CYS H . . 4.470 4.375 4.237 4.524 0.054 8 0 "[ . 1 . 2]" 2
183 1 35 ILE HG13 1 39 CYS H . . 5.500 5.363 5.022 5.509 0.009 3 0 "[ . 1 . 2]" 2
184 1 38 LEU HB2 1 39 CYS H . . 3.880 2.649 2.433 2.927 . 0 0 "[ . 1 . 2]" 2
185 1 38 LEU HB3 1 39 CYS H . . 3.880 3.419 3.138 3.822 . 0 0 "[ . 1 . 2]" 2
186 1 37 TRP H 1 38 LEU H . . 4.170 3.017 2.825 3.235 . 0 0 "[ . 1 . 2]" 2
187 1 36 CYS HB2 1 38 LEU H . . 4.400 3.547 3.173 3.892 . 0 0 "[ . 1 . 2]" 2
188 1 38 LEU H 1 38 LEU HB2 . . 3.860 2.390 2.183 2.787 . 0 0 "[ . 1 . 2]" 2
189 1 38 LEU H 1 38 LEU HB3 . . 3.860 3.561 3.494 3.586 . 0 0 "[ . 1 . 2]" 2
190 1 38 LEU H 1 38 LEU MD1 . . 4.830 3.652 3.362 3.897 . 0 0 "[ . 1 . 2]" 2
191 1 45 HIS H 1 46 ARG H . . 2.900 2.295 1.997 2.550 . 0 0 "[ . 1 . 2]" 2
192 1 15 ASP H 1 16 HIS H . . 3.940 2.826 2.784 2.865 . 0 0 "[ . 1 . 2]" 2
193 1 20 HIS H 1 22 GLU H . . 4.260 3.849 3.720 3.974 . 0 0 "[ . 1 . 2]" 2
194 1 28 CYS HB3 1 29 GLN H . . 4.440 3.878 3.773 4.021 . 0 0 "[ . 1 . 2]" 2
195 1 29 GLN H 1 49 HIS QB . . 4.220 3.892 3.102 4.195 . 0 0 "[ . 1 . 2]" 2
196 1 27 PHE QD 1 29 GLN H . . 4.670 4.397 4.181 4.634 . 0 0 "[ . 1 . 2]" 2
197 1 29 GLN H 1 50 THR H . . 5.500 5.212 4.986 5.438 . 0 0 "[ . 1 . 2]" 2
198 1 29 GLN H 1 51 PHE H . . 5.230 5.124 4.852 5.243 0.013 13 0 "[ . 1 . 2]" 2
199 1 29 GLN H 1 49 HIS H . . 4.750 4.268 4.011 4.483 . 0 0 "[ . 1 . 2]" 2
200 1 29 GLN QB 1 49 HIS H . . 5.000 4.351 3.943 5.051 0.051 20 0 "[ . 1 . 2]" 2
201 1 10 GLU HB3 1 11 GLY H . . 4.850 3.746 2.133 4.599 . 0 0 "[ . 1 . 2]" 2
202 1 10 GLU HB2 1 11 GLY H . . 4.850 4.119 2.678 4.573 . 0 0 "[ . 1 . 2]" 2
203 1 12 GLN HB2 1 13 LYS H . . 4.610 4.130 3.554 4.573 . 0 0 "[ . 1 . 2]" 2
204 1 12 GLN HB3 1 13 LYS H . . 4.610 3.830 2.710 4.441 . 0 0 "[ . 1 . 2]" 2
205 1 12 GLN QG 1 13 LYS H . . 4.820 4.355 3.765 4.750 . 0 0 "[ . 1 . 2]" 2
206 1 14 VAL H 1 15 ASP QB . . 5.280 4.983 4.889 5.132 . 0 0 "[ . 1 . 2]" 2
207 1 14 VAL HB 1 15 ASP H . . 4.440 4.366 4.286 4.403 . 0 0 "[ . 1 . 2]" 2
208 1 15 ASP H 1 24 LEU MD1 . . 5.380 5.025 4.858 5.149 . 0 0 "[ . 1 . 2]" 2
209 1 14 VAL MG2 1 16 HIS H . . 5.450 4.885 4.473 4.968 . 0 0 "[ . 1 . 2]" 2
210 1 14 VAL MG1 1 16 HIS H . . 5.500 4.812 4.133 4.954 . 0 0 "[ . 1 . 2]" 2
211 1 14 VAL HA 1 16 HIS H . . 4.720 4.191 3.915 4.234 . 0 0 "[ . 1 . 2]" 2
212 1 17 CYS H 1 24 LEU HB2 . . 5.460 5.182 4.904 5.428 . 0 0 "[ . 1 . 2]" 2
213 1 16 HIS HD2 1 17 CYS H . . 5.500 5.089 4.593 5.319 . 0 0 "[ . 1 . 2]" 2
214 1 18 ALA H 1 19 ARG H . . 4.450 2.600 2.479 2.665 . 0 0 "[ . 1 . 2]" 2
215 1 19 ARG H 1 20 HIS HB2 . . 4.900 4.756 4.483 4.904 0.004 18 0 "[ . 1 . 2]" 2
216 1 17 CYS HB2 1 19 ARG H . . 4.440 4.233 4.156 4.353 . 0 0 "[ . 1 . 2]" 2
217 1 17 CYS HB3 1 19 ARG H . . 4.410 3.303 3.233 3.494 . 0 0 "[ . 1 . 2]" 2
218 1 16 HIS HB3 1 21 GLY H . . 4.880 4.715 4.427 4.848 . 0 0 "[ . 1 . 2]" 2
219 1 21 GLY H 1 22 GLU QG . . 5.500 5.335 4.820 5.579 0.079 11 0 "[ . 1 . 2]" 2
220 1 19 ARG HG2 1 21 GLY H . . 5.500 5.419 5.259 5.519 0.019 19 0 "[ . 1 . 2]" 2
221 1 19 ARG HB3 1 21 GLY H . . 4.640 4.458 4.332 4.673 0.033 12 0 "[ . 1 . 2]" 2
222 1 22 GLU H 1 38 LEU HG . . 5.390 5.100 4.851 5.396 0.006 20 0 "[ . 1 . 2]" 2
223 1 22 GLU H 1 24 LEU MD2 . . 5.380 5.181 4.666 5.429 0.049 4 0 "[ . 1 . 2]" 2
224 1 16 HIS HD2 1 23 LYS H . . 5.310 5.042 3.818 5.349 0.039 8 0 "[ . 1 . 2]" 2
225 1 15 ASP QB 1 24 LEU H . . 4.610 2.882 2.645 3.194 . 0 0 "[ . 1 . 2]" 2
226 1 24 LEU H 1 25 LEU H . . 4.620 4.268 4.210 4.334 . 0 0 "[ . 1 . 2]" 2
227 1 25 LEU H 1 35 ILE H . . 5.500 5.348 5.143 5.569 0.069 20 0 "[ . 1 . 2]" 2
228 1 25 LEU H 1 37 TRP H . . 5.500 5.192 4.953 5.387 . 0 0 "[ . 1 . 2]" 2
229 1 25 LEU H 1 36 CYS HB2 . . 5.340 5.116 4.616 5.369 0.029 8 0 "[ . 1 . 2]" 2
230 1 25 LEU H 1 36 CYS HB3 . . 5.140 4.820 4.495 5.137 . 0 0 "[ . 1 . 2]" 2
231 1 27 PHE H 1 51 PHE HB2 . . 4.590 3.981 3.752 4.182 . 0 0 "[ . 1 . 2]" 2
232 1 27 PHE H 1 51 PHE QD . . 4.730 4.441 4.245 4.685 . 0 0 "[ . 1 . 2]" 2
233 1 27 PHE H 1 28 CYS H . . 4.820 4.133 3.898 4.358 . 0 0 "[ . 1 . 2]" 2
234 1 28 CYS H 1 50 THR MG . . 4.330 3.613 3.351 3.853 . 0 0 "[ . 1 . 2]" 2
235 1 30 GLU H 1 49 HIS H . . 4.350 3.981 3.685 4.299 . 0 0 "[ . 1 . 2]" 2
236 1 30 GLU H 1 49 HIS QB . . 4.910 4.276 3.407 4.749 . 0 0 "[ . 1 . 2]" 2
237 1 31 ASP HB3 1 32 GLY H . . 4.220 3.896 3.662 4.021 . 0 0 "[ . 1 . 2]" 2
238 1 28 CYS HB3 1 32 GLY H . . 4.350 2.820 2.483 3.095 . 0 0 "[ . 1 . 2]" 2
239 1 30 GLU H 1 32 GLY H . . 4.410 3.780 3.567 4.041 . 0 0 "[ . 1 . 2]" 2
240 1 33 LYS H 1 35 ILE MG . . 5.150 4.146 3.958 4.308 . 0 0 "[ . 1 . 2]" 2
241 1 28 CYS HB2 1 33 LYS H . . 4.510 3.726 3.570 4.186 . 0 0 "[ . 1 . 2]" 2
242 1 31 ASP HB2 1 33 LYS H . . 4.410 2.928 2.770 3.049 . 0 0 "[ . 1 . 2]" 2
243 1 27 PHE QE 1 33 LYS H . . 4.590 4.515 4.403 4.609 0.019 11 0 "[ . 1 . 2]" 2
244 1 31 ASP H 1 33 LYS H . . 4.200 3.850 3.698 4.035 . 0 0 "[ . 1 . 2]" 2
245 1 34 VAL H 1 35 ILE H . . 4.640 4.498 4.346 4.585 . 0 0 "[ . 1 . 2]" 2
246 1 27 PHE QE 1 34 VAL H . . 4.680 4.464 4.187 4.702 0.022 11 0 "[ . 1 . 2]" 2
247 1 27 PHE QD 1 34 VAL H . . 4.820 4.327 4.026 4.560 . 0 0 "[ . 1 . 2]" 2
248 1 33 LYS H 1 34 VAL H . . 5.240 4.426 4.358 4.482 . 0 0 "[ . 1 . 2]" 2
249 1 34 VAL H 1 35 ILE MG . . 4.670 4.345 4.166 4.448 . 0 0 "[ . 1 . 2]" 2
250 1 35 ILE H 1 35 ILE MD . . 4.530 3.941 3.736 4.092 . 0 0 "[ . 1 . 2]" 2
251 1 26 LEU HB2 1 35 ILE H . . 4.570 3.264 3.011 3.657 . 0 0 "[ . 1 . 2]" 2
252 1 35 ILE MD 1 36 CYS H . . 4.370 4.160 3.862 4.375 0.005 9 0 "[ . 1 . 2]" 2
253 1 35 ILE HG13 1 36 CYS H . . 4.350 3.593 3.143 3.813 . 0 0 "[ . 1 . 2]" 2
254 1 36 CYS H 1 39 CYS H . . 4.280 3.448 3.214 3.597 . 0 0 "[ . 1 . 2]" 2
255 1 35 ILE H 1 36 CYS H . . 5.290 4.474 4.418 4.540 . 0 0 "[ . 1 . 2]" 2
256 1 36 CYS H 1 37 TRP H . . 5.500 4.494 4.464 4.537 . 0 0 "[ . 1 . 2]" 2
257 1 37 TRP H 1 37 TRP HD1 . . 4.800 3.550 3.140 3.764 . 0 0 "[ . 1 . 2]" 2
258 1 22 GLU QG 1 38 LEU H . . 4.710 3.311 2.923 3.649 . 0 0 "[ . 1 . 2]" 2
259 1 38 LEU H 1 38 LEU MD2 . . 4.830 1.901 1.737 2.414 . 0 0 "[ . 1 . 2]" 2
260 1 35 ILE MD 1 39 CYS H . . 4.810 4.712 4.460 4.828 0.018 15 0 "[ . 1 . 2]" 2
261 1 39 CYS H 1 41 ARG H . . 4.500 4.057 3.830 4.229 . 0 0 "[ . 1 . 2]" 2
262 1 36 CYS HA 1 39 CYS H . . 4.940 4.701 4.470 4.827 . 0 0 "[ . 1 . 2]" 2
263 1 37 TRP H 1 39 CYS H . . 4.790 4.249 4.096 4.398 . 0 0 "[ . 1 . 2]" 2
264 1 35 ILE MD 1 41 ARG H . . 5.110 4.523 4.298 4.783 . 0 0 "[ . 1 . 2]" 2
265 1 41 ARG H 1 41 ARG QD . . 4.740 4.064 3.687 4.456 . 0 0 "[ . 1 . 2]" 2
266 1 35 ILE MD 1 42 SER H . . 5.170 4.855 4.657 5.155 . 0 0 "[ . 1 . 2]" 2
267 1 42 SER H 1 45 HIS HB2 . . 4.850 3.969 3.726 4.168 . 0 0 "[ . 1 . 2]" 2
268 1 40 GLU HA 1 42 SER H . . 4.320 3.836 3.504 4.178 . 0 0 "[ . 1 . 2]" 2
269 1 45 HIS HB3 1 46 ARG H . . 4.450 4.330 4.181 4.398 . 0 0 "[ . 1 . 2]" 2
270 1 46 ARG H 1 47 GLY H . . 4.670 4.584 4.501 4.629 . 0 0 "[ . 1 . 2]" 2
271 1 46 ARG QB 1 47 GLY H . . 4.490 3.396 2.932 3.805 . 0 0 "[ . 1 . 2]" 2
272 1 48 HIS H 1 50 THR MG . . 5.300 4.835 4.269 5.350 0.050 11 0 "[ . 1 . 2]" 2
273 1 46 ARG QG 1 48 HIS H . . 4.850 4.600 4.173 4.849 . 0 0 "[ . 1 . 2]" 2
274 1 45 HIS HB3 1 48 HIS H . . 4.680 4.426 4.169 4.693 0.013 3 0 "[ . 1 . 2]" 2
275 1 48 HIS H 1 49 HIS H . . 4.840 4.550 4.394 4.638 . 0 0 "[ . 1 . 2]" 2
276 1 46 ARG H 1 48 HIS H . . 4.730 4.521 4.211 4.847 0.117 6 0 "[ . 1 . 2]" 2
277 1 50 THR H 1 50 THR HB . . 4.090 3.761 3.654 3.836 . 0 0 "[ . 1 . 2]" 2
278 1 49 HIS H 1 50 THR H . . 4.510 4.464 4.381 4.528 0.018 13 0 "[ . 1 . 2]" 2
279 1 50 THR H 1 51 PHE H . . 4.530 4.485 4.406 4.520 . 0 0 "[ . 1 . 2]" 2
280 1 49 HIS HD2 1 50 THR H . . 4.540 3.959 2.074 4.539 . 0 0 "[ . 1 . 2]" 2
281 1 26 LEU HB3 1 51 PHE H . . 4.570 3.640 3.420 3.900 . 0 0 "[ . 1 . 2]" 2
282 1 27 PHE QD 1 51 PHE H . . 4.910 4.321 3.981 4.738 . 0 0 "[ . 1 . 2]" 2
283 1 53 THR MG 1 54 SER H . . 4.450 2.282 1.871 3.758 . 0 0 "[ . 1 . 2]" 2
284 1 52 PRO HB3 1 54 SER H . . 5.180 5.086 4.935 5.229 0.049 12 0 "[ . 1 . 2]" 2
285 1 54 SER HB2 1 55 GLY H . . 5.000 3.452 2.146 4.603 . 0 0 "[ . 1 . 2]" 2
286 1 53 THR MG 1 55 GLY H . . 5.380 4.287 3.581 5.327 . 0 0 "[ . 1 . 2]" 2
287 1 36 CYS HA 1 38 LEU H . . 5.020 4.892 4.614 5.050 0.030 6 0 "[ . 1 . 2]" 2
288 1 17 CYS HA 1 19 ARG H . . 3.680 3.481 3.411 3.583 . 0 0 "[ . 1 . 2]" 2
289 1 8 SER QB 1 10 GLU H . . 5.090 3.282 2.278 4.802 . 0 0 "[ . 1 . 2]" 2
290 1 43 GLN HB2 1 44 GLU H . . 5.130 3.576 2.885 4.174 . 0 0 "[ . 1 . 2]" 2
291 1 43 GLN HB3 1 44 GLU H . . 5.130 3.476 2.896 3.982 . 0 0 "[ . 1 . 2]" 2
292 1 39 CYS HA 1 41 ARG H . . 4.760 4.358 3.826 4.492 . 0 0 "[ . 1 . 2]" 2
293 1 35 ILE H 1 35 ILE MG . . 3.680 2.758 2.276 3.024 . 0 0 "[ . 1 . 2]" 2
294 1 28 CYS H 1 35 ILE MG . . 4.200 3.329 3.071 3.664 . 0 0 "[ . 1 . 2]" 2
295 1 35 ILE MG 1 45 HIS HE1 . . 3.450 3.103 2.583 3.400 . 0 0 "[ . 1 . 2]" 2
296 1 35 ILE MG 1 45 HIS HD2 . . 4.550 3.128 2.922 3.538 . 0 0 "[ . 1 . 2]" 2
297 1 34 VAL HA 1 35 ILE MG . . 4.140 3.630 3.453 3.905 . 0 0 "[ . 1 . 2]" 2
298 1 35 ILE HA 1 35 ILE MG . . 3.020 2.380 2.224 2.546 . 0 0 "[ . 1 . 2]" 2
299 1 35 ILE MG 1 39 CYS HB3 . . 3.950 2.926 2.721 3.109 . 0 0 "[ . 1 . 2]" 2
300 1 28 CYS HB3 1 35 ILE MG . . 4.060 3.284 3.033 3.462 . 0 0 "[ . 1 . 2]" 2
301 1 35 ILE MG 1 39 CYS HB2 . . 3.950 3.674 3.457 3.942 . 0 0 "[ . 1 . 2]" 2
302 1 28 CYS HB2 1 35 ILE MG . . 3.620 2.314 1.933 2.804 . 0 0 "[ . 1 . 2]" 2
303 1 33 LYS HB2 1 35 ILE MG . . 3.980 3.903 3.726 4.081 0.101 20 0 "[ . 1 . 2]" 2
304 1 27 PHE QE 1 32 GLY HA2 . . 3.890 2.333 2.234 2.413 . 0 0 "[ . 1 . 2]" 2
305 1 27 PHE QE 1 32 GLY HA3 . . 3.890 3.645 3.522 3.786 . 0 0 "[ . 1 . 2]" 2
306 1 26 LEU HB3 1 50 THR MG . . 3.830 3.012 2.468 3.305 . 0 0 "[ . 1 . 2]" 2
307 1 16 HIS HB3 1 21 GLY HA3 . . 4.380 4.142 3.803 4.396 0.016 12 0 "[ . 1 . 2]" 2
308 1 26 LEU H 1 26 LEU HB3 . . 4.130 3.719 3.655 3.815 . 0 0 "[ . 1 . 2]" 2
309 1 16 HIS HB3 1 21 GLY HA2 . . 4.160 2.812 2.529 3.065 . 0 0 "[ . 1 . 2]" 2
310 1 11 GLY QA 1 12 GLN QG . . 4.520 3.803 3.427 4.461 . 0 0 "[ . 1 . 2]" 2
311 1 55 GLY QA 1 56 PRO QG . . 3.930 3.665 3.644 3.698 . 0 0 "[ . 1 . 2]" 2
312 1 26 LEU HB2 1 35 ILE MD . . 4.390 3.956 3.537 4.200 . 0 0 "[ . 1 . 2]" 2
313 1 28 CYS H 1 35 ILE MD . . 4.470 4.286 3.967 4.488 0.018 6 0 "[ . 1 . 2]" 2
314 1 35 ILE MD 1 40 GLU H . . 4.100 2.676 2.297 3.062 . 0 0 "[ . 1 . 2]" 2
315 1 35 ILE MD 1 45 HIS HD2 . . 4.450 3.603 3.098 3.991 . 0 0 "[ . 1 . 2]" 2
316 1 35 ILE HA 1 35 ILE MD . . 4.400 4.158 4.137 4.179 . 0 0 "[ . 1 . 2]" 2
317 1 35 ILE MD 1 50 THR HB . . 4.250 3.875 3.519 4.254 0.004 19 0 "[ . 1 . 2]" 2
318 1 35 ILE MD 1 39 CYS HB3 . . 3.740 2.806 2.518 3.188 . 0 0 "[ . 1 . 2]" 2
319 1 35 ILE MD 1 40 GLU HA . . 3.510 2.032 1.882 2.329 . 0 0 "[ . 1 . 2]" 2
320 1 35 ILE MD 1 45 HIS HB2 . . 4.370 2.700 2.510 2.870 . 0 0 "[ . 1 . 2]" 2
321 1 35 ILE MD 1 45 HIS HB3 . . 4.400 2.319 2.044 2.585 . 0 0 "[ . 1 . 2]" 2
322 1 35 ILE MD 1 39 CYS HB2 . . 3.740 3.205 2.914 3.433 . 0 0 "[ . 1 . 2]" 2
323 1 28 CYS HB2 1 35 ILE MD . . 3.390 2.751 2.393 3.040 . 0 0 "[ . 1 . 2]" 2
324 1 35 ILE MD 1 40 GLU QG . . 3.840 3.118 2.634 3.705 . 0 0 "[ . 1 . 2]" 2
325 1 35 ILE HB 1 35 ILE MD . . 3.380 2.333 2.227 2.455 . 0 0 "[ . 1 . 2]" 2
326 1 26 LEU HB3 1 35 ILE MD . . 4.560 4.177 3.854 4.561 0.001 9 0 "[ . 1 . 2]" 2
327 1 46 ARG H 1 46 ARG QD . . 4.570 4.313 3.720 4.594 0.024 7 0 "[ . 1 . 2]" 2
328 1 46 ARG HA 1 46 ARG QD . . 4.240 3.899 2.540 4.198 . 0 0 "[ . 1 . 2]" 2
329 1 43 GLN HA 1 46 ARG QD . . 3.920 2.832 1.985 4.041 0.121 3 0 "[ . 1 . 2]" 2
330 1 46 ARG QB 1 46 ARG QD . . 3.010 2.162 2.044 2.571 . 0 0 "[ . 1 . 2]" 2
331 1 19 ARG HD2 1 20 HIS HE1 . . 4.490 3.944 3.720 4.320 . 0 0 "[ . 1 . 2]" 2
332 1 19 ARG HA 1 19 ARG HD2 . . 4.940 4.202 4.055 4.377 . 0 0 "[ . 1 . 2]" 2
333 1 19 ARG HD3 1 20 HIS HE1 . . 4.490 2.225 1.998 2.615 . 0 0 "[ . 1 . 2]" 2
334 1 19 ARG HA 1 19 ARG HD3 . . 4.940 4.768 4.579 4.855 . 0 0 "[ . 1 . 2]" 2
335 1 19 ARG HB2 1 19 ARG HD3 . . 3.650 3.070 2.672 3.256 . 0 0 "[ . 1 . 2]" 2
336 1 31 ASP HB2 1 33 LYS HD3 . . 5.120 4.165 3.896 4.995 . 0 0 "[ . 1 . 2]" 2
337 1 31 ASP HB2 1 33 LYS HG2 . . 4.440 2.969 2.453 3.276 . 0 0 "[ . 1 . 2]" 2
338 1 31 ASP H 1 31 ASP HB3 . . 3.880 3.674 3.630 3.726 . 0 0 "[ . 1 . 2]" 2
339 1 31 ASP HB3 1 45 HIS HE1 . . 4.330 3.177 3.002 3.697 . 0 0 "[ . 1 . 2]" 2
340 1 31 ASP HB3 1 33 LYS H . . 4.880 3.689 3.478 3.889 . 0 0 "[ . 1 . 2]" 2
341 1 31 ASP HB3 1 33 LYS HB3 . . 4.970 4.058 3.864 4.193 . 0 0 "[ . 1 . 2]" 2
342 1 31 ASP HB3 1 33 LYS HB2 . . 5.210 4.997 4.873 5.181 . 0 0 "[ . 1 . 2]" 2
343 1 31 ASP HB3 1 33 LYS HG3 . . 4.340 2.873 2.391 3.929 . 0 0 "[ . 1 . 2]" 2
344 1 31 ASP H 1 31 ASP HB2 . . 3.730 2.477 2.412 2.551 . 0 0 "[ . 1 . 2]" 2
345 1 31 ASP HB2 1 33 LYS HG3 . . 4.440 2.465 2.068 3.284 . 0 0 "[ . 1 . 2]" 2
346 1 33 LYS HA 1 33 LYS QE . . 5.500 4.619 4.146 5.553 0.053 7 0 "[ . 1 . 2]" 2
347 1 33 LYS QE 1 35 ILE HA . . 5.500 4.035 2.714 5.529 0.029 1 0 "[ . 1 . 2]" 2
348 1 33 LYS QE 1 45 HIS HE1 . . 4.290 3.395 1.912 4.276 . 0 0 "[ . 1 . 2]" 2
349 1 33 LYS QE 1 33 LYS HG2 . . 3.520 2.577 2.064 3.250 . 0 0 "[ . 1 . 2]" 2
350 1 33 LYS QE 1 35 ILE MG . . 4.280 2.394 1.654 3.858 . 0 0 "[ . 1 . 2]" 2
351 1 14 VAL MG1 1 23 LYS QE . . 3.620 2.267 1.833 3.588 . 0 0 "[ . 1 . 2]" 2
352 1 23 LYS H 1 23 LYS QE . . 5.020 4.615 4.032 4.968 . 0 0 "[ . 1 . 2]" 2
353 1 23 LYS QE 1 23 LYS HG3 . . 3.520 3.202 2.245 3.457 . 0 0 "[ . 1 . 2]" 2
354 1 23 LYS QE 1 23 LYS HG2 . . 3.520 2.382 2.104 3.446 . 0 0 "[ . 1 . 2]" 2
355 1 33 LYS QE 1 33 LYS HG3 . . 3.520 3.036 2.073 3.517 . 0 0 "[ . 1 . 2]" 2
356 1 15 ASP QB 1 16 HIS H . . 3.940 3.890 3.805 3.930 . 0 0 "[ . 1 . 2]" 2
357 1 15 ASP QB 1 34 VAL HB . . 4.740 4.413 3.831 4.748 0.008 10 0 "[ . 1 . 2]" 2
358 1 15 ASP QB 1 24 LEU HB2 . . 4.080 2.042 1.937 2.230 . 0 0 "[ . 1 . 2]" 2
359 1 15 ASP QB 1 24 LEU MD1 . . 3.170 2.519 2.247 3.150 . 0 0 "[ . 1 . 2]" 2
360 1 27 PHE HB3 1 51 PHE QD . . 4.740 3.894 3.804 3.935 . 0 0 "[ . 1 . 2]" 2
361 1 27 PHE HB3 1 53 THR MG . . 4.100 3.382 2.879 3.681 . 0 0 "[ . 1 . 2]" 2
362 1 26 LEU HB2 1 50 THR HB . . 4.410 3.458 3.286 3.655 . 0 0 "[ . 1 . 2]" 2
363 1 26 LEU HB3 1 50 THR HB . . 3.550 1.990 1.933 2.060 . 0 0 "[ . 1 . 2]" 2
364 1 26 LEU MD2 1 50 THR HB . . 4.320 3.257 2.243 4.453 0.133 11 0 "[ . 1 . 2]" 2
365 1 26 LEU MD1 1 50 THR HB . . 4.320 3.374 2.908 3.690 . 0 0 "[ . 1 . 2]" 2
366 1 28 CYS HA 1 50 THR HB . . 4.610 3.885 3.331 4.547 . 0 0 "[ . 1 . 2]" 2
367 1 20 HIS HB2 1 38 LEU HB2 . . 4.950 3.130 2.729 3.625 . 0 0 "[ . 1 . 2]" 2
368 1 20 HIS HB3 1 38 LEU HB2 . . 4.880 3.275 2.836 3.589 . 0 0 "[ . 1 . 2]" 2
369 1 51 PHE HB3 1 52 PRO HD3 . . 4.130 3.640 3.477 3.760 . 0 0 "[ . 1 . 2]" 2
370 1 27 PHE HB3 1 51 PHE HB3 . . 5.340 4.797 4.281 5.368 0.028 15 0 "[ . 1 . 2]" 2
371 1 51 PHE HB2 1 52 PRO HD2 . . 3.790 3.694 3.468 3.830 0.040 12 0 "[ . 1 . 2]" 2
372 1 27 PHE HB3 1 51 PHE HB2 . . 4.350 3.178 2.763 3.671 . 0 0 "[ . 1 . 2]" 2
373 1 14 VAL MG2 1 24 LEU HB2 . . 5.500 5.280 5.008 5.520 0.020 14 0 "[ . 1 . 2]" 2
374 1 53 THR H 1 53 THR HB . . 3.760 2.836 2.602 3.645 . 0 0 "[ . 1 . 2]" 2
375 1 27 PHE HB2 1 53 THR HB . . 4.600 2.454 1.984 4.368 . 0 0 "[ . 1 . 2]" 2
376 1 44 GLU H 1 44 GLU HG3 . . 4.990 3.612 1.966 4.615 . 0 0 "[ . 1 . 2]" 2
377 1 40 GLU H 1 40 GLU QG . . 4.780 4.002 3.948 4.058 . 0 0 "[ . 1 . 2]" 2
378 1 22 GLU QG 1 37 TRP HE1 . . 4.430 3.199 2.963 3.434 . 0 0 "[ . 1 . 2]" 2
379 1 33 LYS HB3 1 33 LYS QE . . 4.770 3.440 2.280 4.075 . 0 0 "[ . 1 . 2]" 2
380 1 33 LYS HB3 1 34 VAL H . . 4.020 3.832 3.476 3.995 . 0 0 "[ . 1 . 2]" 2
381 1 33 LYS HB3 1 35 ILE MG . . 5.120 4.877 4.698 5.010 . 0 0 "[ . 1 . 2]" 2
382 1 33 LYS HB2 1 33 LYS QE . . 4.700 2.549 1.980 3.991 . 0 0 "[ . 1 . 2]" 2
383 1 33 LYS HB2 1 34 VAL MG2 . . 4.700 3.568 3.291 3.681 . 0 0 "[ . 1 . 2]" 2
384 1 36 CYS HB2 1 37 TRP H . . 4.090 2.195 2.056 2.592 . 0 0 "[ . 1 . 2]" 2
385 1 17 CYS HB2 1 36 CYS HB2 . . 4.330 3.945 3.746 4.130 . 0 0 "[ . 1 . 2]" 2
386 1 17 CYS H 1 36 CYS HB3 . . 4.410 3.853 3.584 4.274 . 0 0 "[ . 1 . 2]" 2
387 1 36 CYS HB3 1 37 TRP H . . 4.670 3.655 3.514 3.943 . 0 0 "[ . 1 . 2]" 2
388 1 20 HIS HB2 1 22 GLU QG . . 4.910 3.868 3.440 4.138 . 0 0 "[ . 1 . 2]" 2
389 1 17 CYS HB3 1 20 HIS HB3 . . 4.790 4.519 4.210 4.771 . 0 0 "[ . 1 . 2]" 2
390 1 20 HIS HB3 1 22 GLU QG . . 4.440 3.815 3.135 4.377 . 0 0 "[ . 1 . 2]" 2
391 1 29 GLN HG3 1 30 GLU H . . 5.010 4.045 1.918 5.039 0.029 6 0 "[ . 1 . 2]" 2
392 1 29 GLN HA 1 29 GLN HG3 . . 4.030 3.632 3.383 3.699 . 0 0 "[ . 1 . 2]" 2
393 1 29 GLN H 1 29 GLN HG2 . . 3.950 3.004 2.412 3.256 . 0 0 "[ . 1 . 2]" 2
394 1 29 GLN HA 1 29 GLN HG2 . . 4.030 2.973 2.329 4.204 0.174 20 0 "[ . 1 . 2]" 2
395 1 42 SER HB2 1 44 GLU H . . 5.500 3.991 2.756 4.394 . 0 0 "[ . 1 . 2]" 2
396 1 42 SER H 1 42 SER HB2 . . 3.590 2.550 2.162 3.581 . 0 0 "[ . 1 . 2]" 2
397 1 39 CYS HA 1 42 SER HB2 . . 3.910 2.527 1.984 3.591 . 0 0 "[ . 1 . 2]" 2
398 1 39 CYS HA 1 42 SER HB3 . . 3.910 2.863 2.130 3.608 . 0 0 "[ . 1 . 2]" 2
399 1 29 GLN HG2 1 30 GLU H . . 5.010 4.326 3.258 4.690 . 0 0 "[ . 1 . 2]" 2
400 1 29 GLN HG2 1 51 PHE QD . . 5.180 3.303 2.752 4.654 . 0 0 "[ . 1 . 2]" 2
401 1 29 GLN HG2 1 49 HIS QB . . 4.670 3.725 1.825 4.693 0.023 13 0 "[ . 1 . 2]" 2
402 1 23 LYS HB2 1 24 LEU H . . 4.740 4.183 3.954 4.417 . 0 0 "[ . 1 . 2]" 2
403 1 23 LYS HB2 1 25 LEU HG . . 3.840 3.221 2.866 3.836 . 0 0 "[ . 1 . 2]" 2
404 1 23 LYS HB2 1 25 LEU MD1 . . 4.690 3.169 1.997 3.853 . 0 0 "[ . 1 . 2]" 2
405 1 14 VAL MG1 1 23 LYS HB2 . . 4.490 4.352 4.004 4.524 0.034 20 0 "[ . 1 . 2]" 2
406 1 23 LYS HB2 1 25 LEU MD2 . . 4.690 3.690 3.306 4.112 . 0 0 "[ . 1 . 2]" 2
407 1 23 LYS HB3 1 24 LEU H . . 4.740 3.290 2.994 3.541 . 0 0 "[ . 1 . 2]" 2
408 1 23 LYS HB3 1 25 LEU HG . . 3.840 3.151 2.653 3.674 . 0 0 "[ . 1 . 2]" 2
409 1 23 LYS HB3 1 25 LEU MD1 . . 4.690 3.595 2.685 3.996 . 0 0 "[ . 1 . 2]" 2
410 1 14 VAL MG1 1 23 LYS HB3 . . 4.490 3.103 2.683 3.868 . 0 0 "[ . 1 . 2]" 2
411 1 35 ILE HB 1 39 CYS HA . . 4.610 4.512 4.396 4.680 0.070 15 0 "[ . 1 . 2]" 2
412 1 35 ILE MG 1 39 CYS HA . . 5.500 5.107 4.976 5.283 . 0 0 "[ . 1 . 2]" 2
413 1 43 GLN HG2 1 46 ARG QB . . 5.100 4.034 2.943 5.147 0.047 4 0 "[ . 1 . 2]" 2
414 1 43 GLN HA 1 43 GLN HG3 . . 3.980 2.764 2.196 3.619 . 0 0 "[ . 1 . 2]" 2
415 1 39 CYS HA 1 45 HIS HD2 . . 4.390 3.526 3.205 3.860 . 0 0 "[ . 1 . 2]" 2
416 1 14 VAL H 1 14 VAL HB . . 3.420 3.386 3.215 3.460 0.040 18 0 "[ . 1 . 2]" 2
417 1 54 SER HB3 1 55 GLY H . . 5.000 3.528 2.136 4.461 . 0 0 "[ . 1 . 2]" 2
418 1 13 LYS HB3 1 14 VAL H . . 4.510 4.199 3.640 4.391 . 0 0 "[ . 1 . 2]" 2
419 1 45 HIS HB3 1 48 HIS HB2 . . 4.780 2.816 2.400 3.286 . 0 0 "[ . 1 . 2]" 2
420 1 16 HIS HB2 1 17 CYS H . . 4.450 4.360 4.237 4.419 . 0 0 "[ . 1 . 2]" 2
421 1 16 HIS HB2 1 21 GLY HA2 . . 4.590 4.483 4.078 4.666 0.076 12 0 "[ . 1 . 2]" 2
422 1 22 GLU HB2 1 37 TRP H . . 4.800 3.996 3.663 4.689 . 0 0 "[ . 1 . 2]" 2
423 1 34 VAL H 1 34 VAL HB . . 3.590 3.554 3.530 3.580 . 0 0 "[ . 1 . 2]" 2
424 1 27 PHE HA 1 34 VAL HB . . 4.730 4.335 4.164 4.683 . 0 0 "[ . 1 . 2]" 2
425 1 34 VAL HB 1 35 ILE HA . . 5.110 4.358 4.234 4.571 . 0 0 "[ . 1 . 2]" 2
426 1 24 LEU HA 1 34 VAL HB . . 4.860 4.218 4.035 4.355 . 0 0 "[ . 1 . 2]" 2
427 1 24 LEU HB2 1 34 VAL HB . . 4.080 3.105 2.718 3.428 . 0 0 "[ . 1 . 2]" 2
428 1 24 LEU HB3 1 34 VAL HB . . 3.540 1.986 1.945 2.055 . 0 0 "[ . 1 . 2]" 2
429 1 24 LEU MD1 1 34 VAL HB . . 4.190 3.007 2.544 3.308 . 0 0 "[ . 1 . 2]" 2
430 1 22 GLU HB3 1 37 TRP H . . 4.800 3.369 3.068 4.055 . 0 0 "[ . 1 . 2]" 2
431 1 52 PRO HA 1 53 THR HA . . 4.670 4.544 4.406 4.589 . 0 0 "[ . 1 . 2]" 2
432 1 27 PHE HB2 1 53 THR HA . . 4.570 4.325 3.897 4.598 0.028 12 0 "[ . 1 . 2]" 2
433 1 14 VAL HA 1 15 ASP H . . 2.770 2.175 2.154 2.181 . 0 0 "[ . 1 . 2]" 2
434 1 14 VAL HA 1 15 ASP HA . . 4.580 4.391 4.375 4.406 . 0 0 "[ . 1 . 2]" 2
435 1 14 VAL HA 1 15 ASP QB . . 4.300 4.201 3.968 4.276 . 0 0 "[ . 1 . 2]" 2
436 1 14 VAL HA 1 14 VAL MG2 . . 2.840 2.479 2.411 2.513 . 0 0 "[ . 1 . 2]" 2
437 1 19 ARG HB2 1 20 HIS H . . 4.050 3.918 3.786 4.065 0.015 12 0 "[ . 1 . 2]" 2
438 1 18 ALA MB 1 19 ARG HB3 . . 5.110 4.869 4.760 4.969 . 0 0 "[ . 1 . 2]" 2
439 1 29 GLN QB 1 30 GLU HA . . 4.560 3.983 3.761 4.355 . 0 0 "[ . 1 . 2]" 2
440 1 30 GLU HA 1 30 GLU QG . . 2.830 2.545 2.188 2.873 0.043 6 0 "[ . 1 . 2]" 2
441 1 39 CYS HA 1 45 HIS HB2 . . 4.710 4.144 3.737 4.639 . 0 0 "[ . 1 . 2]" 2
442 1 45 HIS HB3 1 48 HIS HB3 . . 4.790 4.084 3.649 4.656 . 0 0 "[ . 1 . 2]" 2
443 1 39 CYS HB3 1 40 GLU H . . 4.260 3.155 2.963 3.426 . 0 0 "[ . 1 . 2]" 2
444 1 35 ILE HB 1 39 CYS HB3 . . 3.430 2.088 1.970 2.444 . 0 0 "[ . 1 . 2]" 2
445 1 35 ILE HA 1 39 CYS HB3 . . 4.730 4.042 3.816 4.279 . 0 0 "[ . 1 . 2]" 2
446 1 35 ILE HG13 1 39 CYS HB3 . . 4.770 4.202 3.902 4.590 . 0 0 "[ . 1 . 2]" 2
447 1 39 CYS HB2 1 40 GLU H . . 4.260 2.443 2.312 2.632 . 0 0 "[ . 1 . 2]" 2
448 1 36 CYS H 1 39 CYS HB2 . . 3.640 2.064 1.878 2.225 . 0 0 "[ . 1 . 2]" 2
449 1 35 ILE HA 1 39 CYS HB2 . . 4.730 3.595 3.349 3.788 . 0 0 "[ . 1 . 2]" 2
450 1 35 ILE HB 1 39 CYS HB2 . . 3.430 2.100 1.990 2.394 . 0 0 "[ . 1 . 2]" 2
451 1 35 ILE HG13 1 39 CYS HB2 . . 4.770 3.656 3.265 3.930 . 0 0 "[ . 1 . 2]" 2
452 1 17 CYS HB3 1 20 HIS HB2 . . 3.890 2.861 2.548 3.098 . 0 0 "[ . 1 . 2]" 2
453 1 17 CYS HB3 1 36 CYS HB3 . . 3.940 3.790 3.568 3.996 0.056 15 0 "[ . 1 . 2]" 2
454 1 17 CYS HB3 1 24 LEU HG . . 4.810 4.493 4.325 4.638 . 0 0 "[ . 1 . 2]" 2
455 1 17 CYS HB3 1 24 LEU MD2 . . 3.670 3.604 3.520 3.668 . 0 0 "[ . 1 . 2]" 2
456 1 17 CYS HB2 1 20 HIS H . . 4.550 3.967 3.812 4.047 . 0 0 "[ . 1 . 2]" 2
457 1 17 CYS HB2 1 20 HIS HB2 . . 4.510 4.092 3.736 4.385 . 0 0 "[ . 1 . 2]" 2
458 1 17 CYS HB2 1 36 CYS HB3 . . 3.550 2.590 2.377 2.807 . 0 0 "[ . 1 . 2]" 2
459 1 29 GLN QB 1 49 HIS QB . . 3.550 3.078 1.950 3.607 0.057 17 0 "[ . 1 . 2]" 2
460 1 29 GLN QB 1 51 PHE QE . . 3.720 2.799 1.975 3.581 . 0 0 "[ . 1 . 2]" 2
461 1 28 CYS HA 1 29 GLN QB . . 4.350 4.266 4.194 4.392 0.042 5 0 "[ . 1 . 2]" 2
462 1 14 VAL MG1 1 23 LYS QD . . 3.880 3.467 1.718 3.985 0.105 17 0 "[ . 1 . 2]" 2
463 1 33 LYS HD3 1 45 HIS HE1 . . 4.400 3.505 2.561 4.268 . 0 0 "[ . 1 . 2]" 2
464 1 33 LYS HD3 1 35 ILE HA . . 5.500 4.477 3.947 5.522 0.022 6 0 "[ . 1 . 2]" 2
465 1 31 ASP HB3 1 33 LYS HD3 . . 4.660 4.433 3.630 4.698 0.038 19 0 "[ . 1 . 2]" 2
466 1 33 LYS HD2 1 45 HIS HE1 . . 4.400 2.667 1.985 4.387 . 0 0 "[ . 1 . 2]" 2
467 1 33 LYS HD2 1 35 ILE HA . . 5.500 5.175 4.247 5.612 0.112 12 0 "[ . 1 . 2]" 2
468 1 31 ASP HB3 1 33 LYS HD2 . . 4.660 3.858 3.452 4.615 . 0 0 "[ . 1 . 2]" 2
469 1 37 TRP HA 1 40 GLU H . . 4.420 3.611 3.405 3.841 . 0 0 "[ . 1 . 2]" 2
470 1 37 TRP HA 1 40 GLU HB2 . . 4.220 3.871 3.679 4.170 . 0 0 "[ . 1 . 2]" 2
471 1 37 TRP HA 1 37 TRP HE3 . . 4.740 2.323 2.132 2.736 . 0 0 "[ . 1 . 2]" 2
472 1 37 TRP HA 1 40 GLU QG . . 4.580 4.359 4.006 4.605 0.025 12 0 "[ . 1 . 2]" 2
473 1 37 TRP HA 1 40 GLU HB3 . . 4.220 2.724 2.477 2.927 . 0 0 "[ . 1 . 2]" 2
474 1 13 LYS HA 1 13 LYS QD . . 4.460 4.063 2.134 4.452 . 0 0 "[ . 1 . 2]" 2
475 1 28 CYS HB3 1 31 ASP HB2 . . 3.870 2.554 2.439 2.658 . 0 0 "[ . 1 . 2]" 2
476 1 28 CYS HB3 1 50 THR MG . . 4.320 4.128 3.742 4.356 0.036 11 0 "[ . 1 . 2]" 2
477 1 28 CYS HB3 1 35 ILE MD . . 4.380 4.150 3.810 4.389 0.009 20 0 "[ . 1 . 2]" 2
478 1 28 CYS HB2 1 29 GLN H . . 4.710 4.296 4.142 4.427 . 0 0 "[ . 1 . 2]" 2
479 1 28 CYS H 1 28 CYS HB2 . . 3.610 2.342 2.263 2.573 . 0 0 "[ . 1 . 2]" 2
480 1 28 CYS HB2 1 31 ASP HB2 . . 4.030 3.876 3.773 3.940 . 0 0 "[ . 1 . 2]" 2
481 1 28 CYS HB2 1 35 ILE HG12 . . 4.260 2.805 2.518 3.193 . 0 0 "[ . 1 . 2]" 2
482 1 40 GLU HA 1 45 HIS H . . 5.170 4.613 4.411 5.133 . 0 0 "[ . 1 . 2]" 2
483 1 40 GLU HA 1 45 HIS HD2 . . 5.500 4.805 4.212 5.176 . 0 0 "[ . 1 . 2]" 2
484 1 40 GLU HA 1 45 HIS HB2 . . 4.120 2.614 2.388 2.885 . 0 0 "[ . 1 . 2]" 2
485 1 40 GLU HA 1 45 HIS HB3 . . 3.840 2.844 2.469 3.274 . 0 0 "[ . 1 . 2]" 2
486 1 40 GLU HA 1 40 GLU QG . . 3.410 2.697 2.479 3.150 . 0 0 "[ . 1 . 2]" 2
487 1 35 ILE HG13 1 40 GLU HA . . 4.960 4.160 3.839 4.511 . 0 0 "[ . 1 . 2]" 2
488 1 27 PHE QD 1 29 GLN HA . . 3.850 3.494 3.383 3.621 . 0 0 "[ . 1 . 2]" 2
489 1 16 HIS HB3 1 17 CYS HA . . 5.470 4.957 4.912 5.010 . 0 0 "[ . 1 . 2]" 2
490 1 17 CYS HA 1 36 CYS HB3 . . 5.500 4.899 4.668 5.097 . 0 0 "[ . 1 . 2]" 2
491 1 17 CYS HA 1 18 ALA MB . . 4.320 3.961 3.911 3.998 . 0 0 "[ . 1 . 2]" 2
492 1 17 CYS HA 1 24 LEU HG . . 4.020 3.450 3.211 3.730 . 0 0 "[ . 1 . 2]" 2
493 1 17 CYS HA 1 24 LEU MD1 . . 2.930 2.665 2.444 2.867 . 0 0 "[ . 1 . 2]" 2
494 1 27 PHE QE 1 29 GLN HA . . 3.310 3.196 3.125 3.309 . 0 0 "[ . 1 . 2]" 2
495 1 28 CYS HA 1 29 GLN HA . . 4.550 4.361 4.354 4.373 . 0 0 "[ . 1 . 2]" 2
496 1 44 GLU HA 1 44 GLU HG3 . . 3.860 3.000 2.210 3.822 . 0 0 "[ . 1 . 2]" 2
497 1 44 GLU HA 1 44 GLU HG2 . . 3.860 2.940 2.221 3.867 0.007 10 0 "[ . 1 . 2]" 2
498 1 30 GLU HB2 1 31 ASP H . . 4.190 2.968 2.631 4.125 . 0 0 "[ . 1 . 2]" 2
499 1 30 GLU HB3 1 31 ASP H . . 4.190 3.321 2.417 3.610 . 0 0 "[ . 1 . 2]" 2
500 1 43 GLN HA 1 43 GLN HG2 . . 3.980 2.814 2.209 3.658 . 0 0 "[ . 1 . 2]" 2
501 1 43 GLN HA 1 46 ARG QB . . 3.100 1.912 1.771 2.002 . 0 0 "[ . 1 . 2]" 2
502 1 46 ARG HA 1 47 GLY H . . 3.000 2.187 2.145 2.237 . 0 0 "[ . 1 . 2]" 2
503 1 45 HIS H 1 46 ARG HA . . 4.840 4.407 4.358 4.561 . 0 0 "[ . 1 . 2]" 2
504 1 46 ARG HA 1 46 ARG QG . . 3.520 2.775 2.156 3.442 . 0 0 "[ . 1 . 2]" 2
505 1 23 LYS HA 1 24 LEU HG . . 4.320 3.736 3.577 3.954 . 0 0 "[ . 1 . 2]" 2
506 1 23 LYS HA 1 24 LEU MD2 . . 5.500 4.848 4.650 5.005 . 0 0 "[ . 1 . 2]" 2
507 1 16 HIS HB3 1 23 LYS HA . . 5.080 4.570 4.169 4.763 . 0 0 "[ . 1 . 2]" 2
508 1 23 LYS HA 1 23 LYS HG3 . . 3.890 2.893 2.638 3.267 . 0 0 "[ . 1 . 2]" 2
509 1 23 LYS HA 1 23 LYS HG2 . . 3.890 2.751 2.178 2.944 . 0 0 "[ . 1 . 2]" 2
510 1 14 VAL MG1 1 23 LYS HA . . 4.350 4.114 3.865 4.357 0.007 18 0 "[ . 1 . 2]" 2
511 1 18 ALA MB 1 19 ARG HA . . 4.140 4.028 3.904 4.124 . 0 0 "[ . 1 . 2]" 2
512 1 19 ARG HA 1 19 ARG HB2 . . 2.970 2.405 2.385 2.435 . 0 0 "[ . 1 . 2]" 2
513 1 19 ARG HA 1 19 ARG HG3 . . 3.480 2.589 2.517 2.683 . 0 0 "[ . 1 . 2]" 2
514 1 46 ARG QG 1 47 GLY H . . 4.170 3.145 2.450 3.988 . 0 0 "[ . 1 . 2]" 2
515 1 46 ARG QB 1 46 ARG QG . . 2.400 2.063 2.019 2.087 . 0 0 "[ . 1 . 2]" 2
516 1 19 ARG HA 1 19 ARG HG2 . . 3.670 3.337 3.179 3.453 . 0 0 "[ . 1 . 2]" 2
517 1 19 ARG H 1 19 ARG HG2 . . 4.420 4.326 4.269 4.392 . 0 0 "[ . 1 . 2]" 2
518 1 19 ARG HG3 1 20 HIS H . . 4.640 4.476 4.264 4.656 0.016 6 0 "[ . 1 . 2]" 2
519 1 23 LYS H 1 23 LYS HG2 . . 4.310 3.553 2.963 3.846 . 0 0 "[ . 1 . 2]" 2
520 1 15 ASP QB 1 24 LEU HG . . 4.560 3.631 3.411 3.905 . 0 0 "[ . 1 . 2]" 2
521 1 23 LYS HG2 1 24 LEU H . . 5.090 4.464 3.635 4.845 . 0 0 "[ . 1 . 2]" 2
522 1 23 LYS HA 1 24 LEU MD1 . . 4.950 4.716 4.554 4.908 . 0 0 "[ . 1 . 2]" 2
523 1 25 LEU HB2 1 25 LEU MD1 . . 3.660 2.256 2.103 2.352 . 0 0 "[ . 1 . 2]" 2
524 1 17 CYS H 1 24 LEU MD1 . . 3.880 3.557 3.281 3.779 . 0 0 "[ . 1 . 2]" 2
525 1 16 HIS H 1 24 LEU MD1 . . 4.240 4.080 3.886 4.251 0.011 11 0 "[ . 1 . 2]" 2
526 1 24 LEU H 1 24 LEU MD1 . . 3.510 3.363 3.174 3.482 . 0 0 "[ . 1 . 2]" 2
527 1 24 LEU HA 1 24 LEU MD1 . . 4.020 3.945 3.912 3.966 . 0 0 "[ . 1 . 2]" 2
528 1 17 CYS HB2 1 24 LEU MD1 . . 4.230 3.554 3.230 3.810 . 0 0 "[ . 1 . 2]" 2
529 1 38 LEU HA 1 41 ARG QG . . 4.500 2.966 1.953 4.473 . 0 0 "[ . 1 . 2]" 2
530 1 38 LEU HA 1 41 ARG HB3 . . 4.880 4.275 3.201 4.860 . 0 0 "[ . 1 . 2]" 2
531 1 38 LEU HA 1 38 LEU MD2 . . 4.210 2.496 1.937 2.864 . 0 0 "[ . 1 . 2]" 2
532 1 38 LEU HA 1 38 LEU MD1 . . 4.210 2.313 1.927 3.747 . 0 0 "[ . 1 . 2]" 2
533 1 10 GLU HA 1 10 GLU QG . . 3.790 2.562 2.118 3.473 . 0 0 "[ . 1 . 2]" 2
534 1 26 LEU MD1 1 50 THR MG . . 4.760 3.388 2.906 4.324 . 0 0 "[ . 1 . 2]" 2
535 1 38 LEU H 1 38 LEU HG . . 4.760 3.568 2.107 4.036 . 0 0 "[ . 1 . 2]" 2
536 1 20 HIS HB2 1 38 LEU HG . . 4.070 3.499 3.157 3.953 . 0 0 "[ . 1 . 2]" 2
537 1 20 HIS HB3 1 38 LEU HG . . 3.530 2.461 2.081 3.451 . 0 0 "[ . 1 . 2]" 2
538 1 22 GLU QG 1 38 LEU HG . . 3.720 3.553 2.285 3.785 0.065 15 0 "[ . 1 . 2]" 2
539 1 13 LYS HA 1 13 LYS HG3 . . 3.860 3.585 2.392 3.857 . 0 0 "[ . 1 . 2]" 2
540 1 13 LYS HA 1 14 VAL HB . . 5.050 4.899 4.810 4.954 . 0 0 "[ . 1 . 2]" 2
541 1 13 LYS HA 1 14 VAL MG1 . . 3.970 3.539 3.465 3.618 . 0 0 "[ . 1 . 2]" 2
542 1 26 LEU HB2 1 35 ILE HG13 . . 3.930 2.785 2.550 3.077 . 0 0 "[ . 1 . 2]" 2
543 1 26 LEU HB3 1 35 ILE HG13 . . 4.140 3.836 3.583 4.123 . 0 0 "[ . 1 . 2]" 2
544 1 26 LEU HB2 1 35 ILE HG12 . . 4.240 3.277 2.765 3.587 . 0 0 "[ . 1 . 2]" 2
545 1 26 LEU HB3 1 35 ILE HG12 . . 4.350 3.839 3.346 4.255 . 0 0 "[ . 1 . 2]" 2
546 1 35 ILE HG12 1 35 ILE MG . . 3.740 2.300 2.227 2.366 . 0 0 "[ . 1 . 2]" 2
547 1 12 GLN HA 1 12 GLN QG . . 3.430 2.811 2.200 3.411 . 0 0 "[ . 1 . 2]" 2
548 1 41 ARG HA 1 41 ARG QD . . 4.500 4.005 3.548 4.500 . 0 0 "[ . 1 . 2]" 2
549 1 40 GLU QG 1 41 ARG HA . . 4.550 3.781 3.377 4.469 . 0 0 "[ . 1 . 2]" 2
550 1 41 ARG HA 1 41 ARG QG . . 3.510 2.947 2.284 3.440 . 0 0 "[ . 1 . 2]" 2
551 1 34 VAL MG1 1 35 ILE H . . 3.770 3.643 3.549 3.782 0.012 11 0 "[ . 1 . 2]" 2
552 1 26 LEU H 1 34 VAL MG1 . . 4.040 4.007 3.882 4.089 0.049 12 0 "[ . 1 . 2]" 2
553 1 28 CYS H 1 34 VAL MG1 . . 4.550 4.159 3.915 4.411 . 0 0 "[ . 1 . 2]" 2
554 1 34 VAL H 1 34 VAL MG1 . . 3.520 2.790 2.583 3.142 . 0 0 "[ . 1 . 2]" 2
555 1 27 PHE QE 1 34 VAL MG1 . . 4.290 3.405 3.194 3.729 . 0 0 "[ . 1 . 2]" 2
556 1 25 LEU H 1 34 VAL MG1 . . 5.180 5.100 4.899 5.223 0.043 7 0 "[ . 1 . 2]" 2
557 1 27 PHE QD 1 34 VAL MG1 . . 3.360 2.107 1.954 2.404 . 0 0 "[ . 1 . 2]" 2
558 1 34 VAL HA 1 34 VAL MG1 . . 3.160 2.167 2.043 2.260 . 0 0 "[ . 1 . 2]" 2
559 1 27 PHE HA 1 34 VAL MG1 . . 3.470 2.615 2.286 2.875 . 0 0 "[ . 1 . 2]" 2
560 1 34 VAL MG1 1 53 THR HB . . 4.700 3.927 3.678 4.203 . 0 0 "[ . 1 . 2]" 2
561 1 27 PHE HB2 1 34 VAL MG1 . . 4.120 2.856 2.653 3.034 . 0 0 "[ . 1 . 2]" 2
562 1 24 LEU H 1 24 LEU MD2 . . 4.140 3.704 3.536 3.832 . 0 0 "[ . 1 . 2]" 2
563 1 17 CYS H 1 24 LEU MD2 . . 4.030 3.403 3.181 3.542 . 0 0 "[ . 1 . 2]" 2
564 1 24 LEU MD2 1 35 ILE H . . 4.330 3.516 3.193 3.886 . 0 0 "[ . 1 . 2]" 2
565 1 24 LEU MD2 1 36 CYS H . . 3.800 2.510 2.285 2.807 . 0 0 "[ . 1 . 2]" 2
566 1 24 LEU MD2 1 25 LEU H . . 4.090 4.015 3.811 4.125 0.035 12 0 "[ . 1 . 2]" 2
567 1 17 CYS HA 1 24 LEU MD2 . . 3.230 3.063 2.781 3.260 0.030 20 0 "[ . 1 . 2]" 2
568 1 24 LEU MD2 1 36 CYS HB2 . . 4.190 3.617 3.157 3.928 . 0 0 "[ . 1 . 2]" 2
569 1 17 CYS HB2 1 24 LEU MD2 . . 3.270 1.980 1.944 2.041 . 0 0 "[ . 1 . 2]" 2
570 1 24 LEU MD2 1 36 CYS HB3 . . 3.490 2.185 1.810 2.498 . 0 0 "[ . 1 . 2]" 2
571 1 24 LEU MD2 1 34 VAL HB . . 4.190 3.199 2.883 3.620 . 0 0 "[ . 1 . 2]" 2
572 1 24 LEU MD2 1 35 ILE HB . . 4.530 3.909 3.761 4.146 . 0 0 "[ . 1 . 2]" 2
573 1 26 LEU MD2 1 37 TRP HZ3 . . 5.060 2.639 2.157 3.221 . 0 0 "[ . 1 . 2]" 2
574 1 24 LEU HA 1 34 VAL MG1 . . 5.050 5.061 5.038 5.105 0.055 4 0 "[ . 1 . 2]" 2
575 1 23 LYS QE 1 25 LEU MD2 . . 5.470 3.263 2.612 4.397 . 0 0 "[ . 1 . 2]" 2
576 1 17 CYS H 1 24 LEU HA . . 5.500 5.072 4.952 5.218 . 0 0 "[ . 1 . 2]" 2
577 1 24 LEU HA 1 35 ILE H . . 5.500 4.939 4.755 5.172 . 0 0 "[ . 1 . 2]" 2
578 1 24 LEU HA 1 37 TRP H . . 5.500 5.006 4.730 5.240 . 0 0 "[ . 1 . 2]" 2
579 1 24 LEU HA 1 26 LEU H . . 4.120 3.251 3.232 3.290 . 0 0 "[ . 1 . 2]" 2
580 1 24 LEU HA 1 36 CYS HB3 . . 4.280 3.145 2.846 3.383 . 0 0 "[ . 1 . 2]" 2
581 1 24 LEU HA 1 24 LEU HG . . 3.710 2.970 2.920 3.038 . 0 0 "[ . 1 . 2]" 2
582 1 24 LEU HA 1 24 LEU MD2 . . 3.010 2.294 2.115 2.462 . 0 0 "[ . 1 . 2]" 2
583 1 53 THR H 1 53 THR MG . . 3.140 1.996 1.843 2.186 . 0 0 "[ . 1 . 2]" 2
584 1 27 PHE QE 1 53 THR MG . . 4.800 4.590 4.288 4.837 0.037 8 0 "[ . 1 . 2]" 2
585 1 27 PHE QD 1 53 THR MG . . 4.070 2.674 2.216 2.995 . 0 0 "[ . 1 . 2]" 2
586 1 26 LEU HA 1 53 THR MG . . 3.710 3.253 2.777 3.605 . 0 0 "[ . 1 . 2]" 2
587 1 25 LEU HA 1 53 THR MG . . 3.660 3.424 2.817 3.690 0.030 17 0 "[ . 1 . 2]" 2
588 1 27 PHE HB2 1 53 THR MG . . 3.330 2.044 1.879 2.399 . 0 0 "[ . 1 . 2]" 2
589 1 34 VAL HB 1 53 THR MG . . 4.410 4.135 3.801 4.392 . 0 0 "[ . 1 . 2]" 2
590 1 28 CYS HA 1 50 THR MG . . 3.190 2.222 1.976 2.474 . 0 0 "[ . 1 . 2]" 2
591 1 48 HIS HB3 1 50 THR MG . . 4.120 3.665 3.327 4.028 . 0 0 "[ . 1 . 2]" 2
592 1 48 HIS HB2 1 50 THR MG . . 3.900 3.395 3.144 3.616 . 0 0 "[ . 1 . 2]" 2
593 1 40 GLU QG 1 50 THR MG . . 3.460 3.020 2.330 3.474 0.014 1 0 "[ . 1 . 2]" 2
594 1 35 ILE HG12 1 50 THR MG . . 3.850 2.487 2.143 3.072 . 0 0 "[ . 1 . 2]" 2
595 1 35 ILE MD 1 50 THR MG . . 3.190 1.897 1.756 2.186 . 0 0 "[ . 1 . 2]" 2
596 1 40 GLU HA 1 50 THR MG . . 4.600 3.727 3.311 4.005 . 0 0 "[ . 1 . 2]" 2
597 1 28 CYS HB2 1 50 THR MG . . 3.560 2.957 2.421 3.270 . 0 0 "[ . 1 . 2]" 2
598 1 26 LEU MD2 1 50 THR MG . . 4.760 4.015 3.527 4.313 . 0 0 "[ . 1 . 2]" 2
599 1 35 ILE MG 1 50 THR MG . . 4.410 3.677 3.086 4.184 . 0 0 "[ . 1 . 2]" 2
600 1 14 VAL MG2 1 24 LEU H . . 4.960 4.823 4.677 4.980 0.020 15 0 "[ . 1 . 2]" 2
601 1 14 VAL MG2 1 23 LYS QE . . 4.550 4.099 3.581 4.563 0.013 14 0 "[ . 1 . 2]" 2
602 1 14 VAL MG2 1 15 ASP QB . . 4.170 2.517 2.386 2.695 . 0 0 "[ . 1 . 2]" 2
603 1 14 VAL MG2 1 23 LYS HA . . 5.250 5.153 4.880 5.254 0.004 6 0 "[ . 1 . 2]" 2
604 1 34 VAL MG2 1 35 ILE H . . 4.460 4.214 4.105 4.326 . 0 0 "[ . 1 . 2]" 2
605 1 34 VAL H 1 34 VAL MG2 . . 2.930 1.846 1.797 1.930 . 0 0 "[ . 1 . 2]" 2
606 1 27 PHE QE 1 34 VAL MG2 . . 4.550 4.404 4.200 4.569 0.019 17 0 "[ . 1 . 2]" 2
607 1 27 PHE QD 1 34 VAL MG2 . . 4.150 4.081 3.917 4.167 0.017 6 0 "[ . 1 . 2]" 2
608 1 34 VAL HA 1 34 VAL MG2 . . 3.320 3.164 3.151 3.183 . 0 0 "[ . 1 . 2]" 2
609 1 33 LYS HA 1 34 VAL MG2 . . 3.800 3.601 3.527 3.670 . 0 0 "[ . 1 . 2]" 2
610 1 24 LEU HA 1 34 VAL MG2 . . 5.460 5.155 4.984 5.422 . 0 0 "[ . 1 . 2]" 2
611 1 14 VAL MG1 1 15 ASP H . . 4.410 4.268 4.236 4.297 . 0 0 "[ . 1 . 2]" 2
612 1 14 VAL HA 1 14 VAL MG1 . . 3.300 3.180 3.169 3.191 . 0 0 "[ . 1 . 2]" 2
613 1 14 VAL MG1 1 15 ASP QB . . 4.360 3.810 3.693 3.941 . 0 0 "[ . 1 . 2]" 2
614 1 51 PHE HB2 1 52 PRO HD3 . . 4.870 4.732 4.581 4.822 . 0 0 "[ . 1 . 2]" 2
615 1 51 PHE HB3 1 52 PRO HD2 . . 3.620 2.229 2.059 2.364 . 0 0 "[ . 1 . 2]" 2
616 1 55 GLY QA 1 56 PRO HD3 . . 2.790 2.354 2.234 2.595 . 0 0 "[ . 1 . 2]" 2
617 1 18 ALA MB 1 19 ARG H . . 3.310 3.282 3.168 3.347 0.037 6 0 "[ . 1 . 2]" 2
618 1 18 ALA MB 1 19 ARG HB2 . . 4.540 4.308 4.203 4.403 . 0 0 "[ . 1 . 2]" 2
619 1 31 ASP HB2 1 45 HIS HE1 . . 4.110 2.713 2.568 3.069 . 0 0 "[ . 1 . 2]" 2
620 1 20 HIS HE1 1 39 CYS H . . 4.360 3.856 3.634 4.167 . 0 0 "[ . 1 . 2]" 2
621 1 20 HIS HE1 1 39 CYS HA . . 3.070 2.923 2.667 3.071 0.001 11 0 "[ . 1 . 2]" 2
622 1 19 ARG HG2 1 20 HIS HE1 . . 4.520 3.116 2.682 3.747 . 0 0 "[ . 1 . 2]" 2
623 1 27 PHE QD 1 51 PHE QD . . 4.130 3.907 3.575 4.141 0.011 6 0 "[ . 1 . 2]" 2
624 1 51 PHE QD 1 52 PRO HD2 . . 4.450 3.252 2.746 3.617 . 0 0 "[ . 1 . 2]" 2
625 1 29 GLN QB 1 51 PHE QD . . 4.300 3.975 2.930 4.332 0.032 13 0 "[ . 1 . 2]" 2
626 1 49 HIS QB 1 51 PHE QE . . 4.300 2.602 1.971 3.267 . 0 0 "[ . 1 . 2]" 2
627 1 49 HIS QB 1 51 PHE HZ . . 4.780 3.150 2.448 4.255 . 0 0 "[ . 1 . 2]" 2
628 1 27 PHE QE 1 33 LYS HA . . 4.980 3.891 3.444 4.166 . 0 0 "[ . 1 . 2]" 2
629 1 27 PHE HZ 1 32 GLY HA3 . . 4.210 3.834 3.489 4.030 . 0 0 "[ . 1 . 2]" 2
630 1 27 PHE HZ 1 29 GLN HA . . 5.500 5.503 5.466 5.519 0.019 8 0 "[ . 1 . 2]" 2
631 1 42 SER HB2 1 45 HIS HD2 . . 5.500 4.949 3.877 5.534 0.034 17 0 "[ . 1 . 2]" 2
632 1 44 GLU HB3 1 45 HIS HD2 . . 4.770 3.445 2.868 4.657 . 0 0 "[ . 1 . 2]" 2
633 1 44 GLU HB2 1 45 HIS HD2 . . 4.770 3.996 3.011 4.776 0.006 18 0 "[ . 1 . 2]" 2
634 1 50 THR HA 1 51 PHE QD . . 4.410 2.860 2.591 3.156 . 0 0 "[ . 1 . 2]" 2
635 1 28 CYS HA 1 50 THR HA . . 3.210 2.544 2.266 2.780 . 0 0 "[ . 1 . 2]" 2
636 1 50 THR HA 1 50 THR MG . . 3.240 2.288 2.124 2.527 . 0 0 "[ . 1 . 2]" 2
637 1 35 ILE HB 1 45 HIS HD2 . . 4.870 3.827 3.497 4.079 . 0 0 "[ . 1 . 2]" 2
638 1 20 HIS HD2 1 38 LEU HG . . 4.270 2.967 2.387 4.360 0.090 10 0 "[ . 1 . 2]" 2
639 1 26 LEU H 1 36 CYS HA . . 4.490 4.014 3.752 4.212 . 0 0 "[ . 1 . 2]" 2
640 1 36 CYS HA 1 37 TRP H . . 3.460 2.539 2.367 2.586 . 0 0 "[ . 1 . 2]" 2
641 1 25 LEU H 1 36 CYS HA . . 3.690 3.507 3.402 3.622 . 0 0 "[ . 1 . 2]" 2
642 1 24 LEU HA 1 36 CYS HA . . 3.670 2.910 2.687 3.091 . 0 0 "[ . 1 . 2]" 2
643 1 17 CYS HB2 1 36 CYS HA . . 5.180 4.942 4.761 5.191 0.011 15 0 "[ . 1 . 2]" 2
644 1 24 LEU MD2 1 36 CYS HA . . 4.050 2.937 2.387 3.268 . 0 0 "[ . 1 . 2]" 2
645 1 51 PHE HA 1 51 PHE QD . . 3.850 3.164 2.994 3.250 . 0 0 "[ . 1 . 2]" 2
646 1 51 PHE HA 1 52 PRO HD3 . . 2.870 2.265 2.253 2.283 . 0 0 "[ . 1 . 2]" 2
647 1 51 PHE HA 1 52 PRO HD2 . . 2.910 2.288 2.226 2.356 . 0 0 "[ . 1 . 2]" 2
648 1 51 PHE HA 1 52 PRO QG . . 4.600 3.933 3.898 3.974 . 0 0 "[ . 1 . 2]" 2
649 1 51 PHE HA 1 52 PRO HB3 . . 4.930 4.832 4.828 4.839 . 0 0 "[ . 1 . 2]" 2
650 1 48 HIS HD2 1 49 HIS H . . 5.140 4.862 4.740 4.930 . 0 0 "[ . 1 . 2]" 2
651 1 30 GLU QG 1 48 HIS HD2 . . 4.250 3.847 3.477 4.263 0.013 8 0 "[ . 1 . 2]" 2
652 1 26 LEU HA 1 53 THR H . . 4.220 2.970 2.701 3.408 . 0 0 "[ . 1 . 2]" 2
653 1 26 LEU HA 1 26 LEU HG . . 4.180 3.089 2.846 3.656 . 0 0 "[ . 1 . 2]" 2
654 1 22 GLU QG 1 37 TRP HZ2 . . 5.500 5.547 5.479 5.662 0.162 15 0 "[ . 1 . 2]" 2
655 1 25 LEU HB2 1 37 TRP HZ2 . . 4.450 3.899 3.662 4.133 . 0 0 "[ . 1 . 2]" 2
656 1 35 ILE HG13 1 35 ILE MG . . 3.370 3.191 3.181 3.201 . 0 0 "[ . 1 . 2]" 2
657 1 35 ILE MD 1 35 ILE MG . . 2.870 2.080 1.920 2.273 . 0 0 "[ . 1 . 2]" 2
658 1 33 LYS HA 1 33 LYS HG3 . . 4.210 3.584 3.560 3.622 . 0 0 "[ . 1 . 2]" 2
659 1 33 LYS HA 1 33 LYS HG2 . . 4.210 4.079 3.864 4.179 . 0 0 "[ . 1 . 2]" 2
660 1 24 LEU HB2 1 34 VAL MG1 . . 4.410 3.950 3.672 4.110 . 0 0 "[ . 1 . 2]" 2
661 1 24 LEU HB2 1 24 LEU MD2 . . 3.600 3.156 3.137 3.175 . 0 0 "[ . 1 . 2]" 2
662 1 24 LEU HB3 1 24 LEU MD2 . . 3.220 2.222 2.101 2.303 . 0 0 "[ . 1 . 2]" 2
663 1 24 LEU HB2 1 34 VAL MG2 . . 3.730 3.322 3.002 3.610 . 0 0 "[ . 1 . 2]" 2
664 1 24 LEU MD1 1 34 VAL MG2 . . 2.930 2.243 2.083 2.431 . 0 0 "[ . 1 . 2]" 2
665 1 15 ASP HA 1 16 HIS H . . 3.200 2.717 2.700 2.888 . 0 0 "[ . 1 . 2]" 2
666 1 15 ASP HA 1 24 LEU MD1 . . 3.750 3.178 2.977 3.318 . 0 0 "[ . 1 . 2]" 2
667 1 16 HIS HD2 1 23 LYS HA . . 5.290 4.613 2.908 5.269 . 0 0 "[ . 1 . 2]" 2
668 1 17 CYS HB2 1 24 LEU HG . . 4.640 3.029 2.803 3.203 . 0 0 "[ . 1 . 2]" 2
669 1 18 ALA HA 1 21 GLY H . . 4.530 4.393 4.232 4.546 0.016 16 0 "[ . 1 . 2]" 2
670 1 19 ARG HB2 1 19 ARG HD2 . . 3.650 2.332 2.180 2.541 . 0 0 "[ . 1 . 2]" 2
671 1 20 HIS HA 1 20 HIS HD2 . . 3.390 3.260 3.004 3.432 0.042 10 0 "[ . 1 . 2]" 2
672 1 24 LEU HB2 1 24 LEU MD1 . . 2.980 2.174 2.016 2.279 . 0 0 "[ . 1 . 2]" 2
673 1 25 LEU HA 1 25 LEU HG . . 3.620 3.142 2.709 3.225 . 0 0 "[ . 1 . 2]" 2
674 1 25 LEU HB3 1 26 LEU H . . 4.900 4.325 4.255 4.420 . 0 0 "[ . 1 . 2]" 2
675 1 23 LYS HB3 1 25 LEU MD2 . . 4.690 3.003 2.672 4.099 . 0 0 "[ . 1 . 2]" 2
676 1 25 LEU HB2 1 25 LEU MD2 . . 3.660 3.144 2.402 3.193 . 0 0 "[ . 1 . 2]" 2
677 1 26 LEU MD2 1 37 TRP HH2 . . 4.990 3.886 2.536 4.637 . 0 0 "[ . 1 . 2]" 2
678 1 27 PHE HA 1 35 ILE H . . 3.860 3.276 3.181 3.405 . 0 0 "[ . 1 . 2]" 2
679 1 27 PHE HA 1 28 CYS H . . 3.030 2.149 2.140 2.162 . 0 0 "[ . 1 . 2]" 2
680 1 27 PHE HA 1 27 PHE QD . . 3.500 3.065 2.992 3.134 . 0 0 "[ . 1 . 2]" 2
681 1 27 PHE HA 1 34 VAL HA . . 3.010 2.081 1.986 2.273 . 0 0 "[ . 1 . 2]" 2
682 1 27 PHE HA 1 34 VAL MG2 . . 4.930 4.594 4.412 4.769 . 0 0 "[ . 1 . 2]" 2
683 1 27 PHE HA 1 50 THR MG . . 5.330 4.567 4.280 4.904 . 0 0 "[ . 1 . 2]" 2
684 1 27 PHE HB2 1 51 PHE HB2 . . 5.220 4.604 4.198 4.994 . 0 0 "[ . 1 . 2]" 2
685 1 27 PHE HB2 1 51 PHE QD . . 5.500 5.521 5.437 5.563 0.063 17 0 "[ . 1 . 2]" 2
686 1 26 LEU HA 1 27 PHE HB2 . . 5.310 4.293 4.208 4.447 . 0 0 "[ . 1 . 2]" 2
687 1 27 PHE HB2 1 34 VAL HA . . 5.500 4.060 3.915 4.331 . 0 0 "[ . 1 . 2]" 2
688 1 26 LEU HA 1 27 PHE HB3 . . 5.010 4.664 4.593 4.754 . 0 0 "[ . 1 . 2]" 2
689 1 27 PHE HB2 1 51 PHE H . . 5.070 4.403 4.046 4.918 . 0 0 "[ . 1 . 2]" 2
690 1 27 PHE HB2 1 28 CYS H . . 5.170 4.450 4.418 4.492 . 0 0 "[ . 1 . 2]" 2
691 1 27 PHE QD 1 51 PHE HB2 . . 5.050 4.417 3.839 5.053 0.003 15 0 "[ . 1 . 2]" 2
692 1 27 PHE HZ 1 32 GLY HA2 . . 4.210 3.356 3.124 3.490 . 0 0 "[ . 1 . 2]" 2
693 1 28 CYS HA 1 35 ILE MD . . 4.640 3.981 3.675 4.314 . 0 0 "[ . 1 . 2]" 2
694 1 30 GLU QG 1 31 ASP H . . 5.140 4.237 3.584 4.538 . 0 0 "[ . 1 . 2]" 2
695 1 28 CYS HB2 1 31 ASP HB3 . . 5.500 5.500 5.406 5.561 0.061 6 0 "[ . 1 . 2]" 2
696 1 31 ASP H 1 33 LYS HG2 . . 5.500 5.276 4.763 5.552 0.052 16 0 "[ . 1 . 2]" 2
697 1 33 LYS HG2 1 34 VAL H . . 5.500 5.146 4.750 5.375 . 0 0 "[ . 1 . 2]" 2
698 1 31 ASP H 1 33 LYS HG3 . . 5.500 4.518 4.166 5.306 . 0 0 "[ . 1 . 2]" 2
699 1 33 LYS HG3 1 34 VAL H . . 5.500 4.471 3.786 4.833 . 0 0 "[ . 1 . 2]" 2
700 1 34 VAL HA 1 35 ILE H . . 2.990 2.158 2.140 2.184 . 0 0 "[ . 1 . 2]" 2
701 1 28 CYS H 1 34 VAL HA . . 3.980 2.903 2.721 3.230 . 0 0 "[ . 1 . 2]" 2
702 1 27 PHE QD 1 34 VAL HA . . 4.130 3.823 3.647 4.021 . 0 0 "[ . 1 . 2]" 2
703 1 35 ILE HA 1 36 CYS H . . 3.200 2.355 2.257 2.469 . 0 0 "[ . 1 . 2]" 2
704 1 24 LEU MD2 1 35 ILE HA . . 3.070 2.135 1.978 2.362 . 0 0 "[ . 1 . 2]" 2
705 1 35 ILE HG12 1 36 CYS H . . 5.170 4.698 4.400 4.889 . 0 0 "[ . 1 . 2]" 2
706 1 24 LEU HA 1 36 CYS HB2 . . 5.080 4.064 3.659 4.397 . 0 0 "[ . 1 . 2]" 2
707 1 25 LEU HB3 1 37 TRP HZ2 . . 5.450 5.184 4.924 5.413 . 0 0 "[ . 1 . 2]" 2
708 1 25 LEU HG 1 37 TRP HH2 . . 5.470 3.604 2.901 5.316 . 0 0 "[ . 1 . 2]" 2
709 1 38 LEU HA 1 41 ARG HB2 . . 4.880 4.098 2.688 4.947 0.067 15 0 "[ . 1 . 2]" 2
710 1 20 HIS HB2 1 38 LEU HB3 . . 4.950 4.236 3.642 4.957 0.007 8 0 "[ . 1 . 2]" 2
711 1 20 HIS HB3 1 38 LEU HB3 . . 4.880 3.870 3.321 4.319 . 0 0 "[ . 1 . 2]" 2
712 1 35 ILE MD 1 39 CYS HA . . 5.150 4.490 4.206 4.780 . 0 0 "[ . 1 . 2]" 2
713 1 42 SER HB3 1 44 GLU H . . 5.500 2.817 2.129 4.184 . 0 0 "[ . 1 . 2]" 2
714 1 20 HIS HE1 1 42 SER HB3 . . 5.170 4.724 3.608 5.189 0.019 19 0 "[ . 1 . 2]" 2
715 1 43 GLN HG3 1 46 ARG QB . . 5.100 4.007 3.020 5.165 0.065 10 0 "[ . 1 . 2]" 2
716 1 43 GLN H 1 43 GLN HG2 . . 5.290 4.084 3.296 4.530 . 0 0 "[ . 1 . 2]" 2
717 1 43 GLN H 1 43 GLN HG3 . . 5.290 3.603 2.163 4.575 . 0 0 "[ . 1 . 2]" 2
718 1 44 GLU H 1 44 GLU HG2 . . 4.990 3.741 1.985 4.627 . 0 0 "[ . 1 . 2]" 2
719 1 44 GLU HG3 1 45 HIS H . . 5.030 4.437 2.583 5.036 0.006 19 0 "[ . 1 . 2]" 2
720 1 35 ILE HG13 1 45 HIS HB2 . . 5.500 5.375 5.132 5.554 0.054 9 0 "[ . 1 . 2]" 2
721 1 45 HIS HB2 1 50 THR MG . . 5.500 4.956 4.590 5.165 . 0 0 "[ . 1 . 2]" 2
722 1 28 CYS HB3 1 45 HIS HE1 . . 5.060 4.089 3.833 4.217 . 0 0 "[ . 1 . 2]" 2
723 1 45 HIS H 1 46 ARG QG . . 5.500 5.097 4.288 5.718 0.218 19 0 "[ . 1 . 2]" 2
724 1 46 ARG QD 1 47 GLY H . . 4.880 4.327 2.632 4.860 . 0 0 "[ . 1 . 2]" 2
725 1 48 HIS HA 1 48 HIS HD2 . . 3.130 2.690 2.595 2.791 . 0 0 "[ . 1 . 2]" 2
726 1 48 HIS HA 1 49 HIS H . . 3.040 2.189 2.141 2.315 . 0 0 "[ . 1 . 2]" 2
727 1 30 GLU QG 1 48 HIS HA . . 4.350 3.141 2.630 4.369 0.019 1 0 "[ . 1 . 2]" 2
728 1 30 GLU H 1 48 HIS HB2 . . 5.500 5.267 4.708 5.523 0.023 9 0 "[ . 1 . 2]" 2
729 1 14 VAL MG1 1 16 HIS HE1 . . 4.760 2.848 1.886 4.568 . 0 0 "[ . 1 . 2]" 2
730 1 16 HIS HE1 1 23 LYS HG2 . . 5.040 2.232 1.986 2.956 . 0 0 "[ . 1 . 2]" 2
731 1 16 HIS HE1 1 23 LYS HG3 . . 5.040 2.971 2.315 4.068 . 0 0 "[ . 1 . 2]" 2
732 1 16 HIS HE1 1 23 LYS QE . . 4.710 3.328 1.967 4.435 . 0 0 "[ . 1 . 2]" 2
733 1 20 HIS HE1 1 42 SER HB2 . . 5.170 4.178 3.733 4.629 . 0 0 "[ . 1 . 2]" 2
734 1 20 HIS HE1 1 39 CYS HB3 . . 5.170 4.483 4.264 4.666 . 0 0 "[ . 1 . 2]" 2
735 1 20 HIS HE1 1 39 CYS HB2 . . 5.170 4.496 4.259 4.793 . 0 0 "[ . 1 . 2]" 2
736 1 19 ARG HB3 1 20 HIS HE1 . . 5.100 3.641 3.350 4.165 . 0 0 "[ . 1 . 2]" 2
737 1 20 HIS HE1 1 38 LEU HB2 . . 5.290 3.897 3.684 4.256 . 0 0 "[ . 1 . 2]" 2
738 1 20 HIS HE1 1 38 LEU HB3 . . 5.290 3.551 2.974 4.616 . 0 0 "[ . 1 . 2]" 2
739 1 50 THR HA 1 51 PHE HA . . 4.600 4.436 4.402 4.484 . 0 0 "[ . 1 . 2]" 2
740 1 49 HIS QB 1 50 THR HA . . 4.910 4.229 4.141 4.471 . 0 0 "[ . 1 . 2]" 2
741 1 50 THR HA 1 51 PHE HB2 . . 5.140 4.595 4.400 4.749 . 0 0 "[ . 1 . 2]" 2
742 1 29 GLN QB 1 50 THR HA . . 4.850 4.592 4.331 4.802 . 0 0 "[ . 1 . 2]" 2
743 1 26 LEU HB3 1 50 THR HA . . 4.920 4.226 3.869 4.404 . 0 0 "[ . 1 . 2]" 2
744 1 29 GLN HG3 1 51 PHE QD . . 5.180 3.801 2.373 5.144 . 0 0 "[ . 1 . 2]" 2
745 1 51 PHE QD 1 52 PRO HD3 . . 5.310 4.402 3.970 4.689 . 0 0 "[ . 1 . 2]" 2
746 1 55 GLY QA 1 56 PRO HD2 . . 2.790 2.041 1.906 2.237 . 0 0 "[ . 1 . 2]" 2
747 1 19 ARG HG2 1 20 HIS HD2 . . 5.300 3.762 3.497 4.043 . 0 0 "[ . 1 . 2]" 2
748 1 19 ARG HG3 1 20 HIS HD2 . . 5.500 5.197 4.849 5.497 . 0 0 "[ . 1 . 2]" 2
749 1 30 GLU QG 1 49 HIS H . . 5.310 3.512 2.746 5.165 . 0 0 "[ . 1 . 2]" 2
750 1 26 LEU MD1 1 37 TRP HZ3 . . 5.060 2.115 1.952 2.699 . 0 0 "[ . 1 . 2]" 2
751 1 26 LEU MD1 1 37 TRP HH2 . . 4.990 3.949 3.005 4.188 . 0 0 "[ . 1 . 2]" 2
752 1 53 THR MG 1 55 GLY QA . . 5.500 5.359 5.048 5.552 0.052 12 0 "[ . 1 . 2]" 2
753 1 19 ARG H 1 19 ARG HD3 . . 5.400 5.108 4.897 5.302 . 0 0 "[ . 1 . 2]" 2
754 1 19 ARG H 1 19 ARG HD2 . . 5.400 5.097 4.935 5.357 . 0 0 "[ . 1 . 2]" 2
755 1 53 THR HA 1 53 THR MG . . 3.220 3.071 2.459 3.207 . 0 0 "[ . 1 . 2]" 2
756 1 29 GLN HG3 1 49 HIS QB . . 4.670 3.314 2.461 3.844 . 0 0 "[ . 1 . 2]" 2
757 1 23 LYS HG3 1 24 LEU H . . 5.090 4.919 4.701 5.236 0.146 17 0 "[ . 1 . 2]" 2
758 1 35 ILE MD 1 45 HIS HE1 . . 5.020 4.501 3.746 4.945 . 0 0 "[ . 1 . 2]" 2
759 1 45 HIS HA 1 48 HIS HE1 . . 3.890 2.691 2.498 2.964 . 0 0 "[ . 1 . 2]" 2
760 1 30 GLU HB2 1 48 HIS HE1 . . 5.090 4.654 4.188 5.194 0.104 6 0 "[ . 1 . 2]" 2
761 1 30 GLU HB3 1 48 HIS HE1 . . 5.090 4.406 3.681 5.033 . 0 0 "[ . 1 . 2]" 2
762 1 23 LYS QE 1 25 LEU MD1 . . 5.470 3.501 2.678 4.745 . 0 0 "[ . 1 . 2]" 2
763 1 14 VAL H 1 14 VAL MG2 . . 4.010 3.829 3.772 3.876 . 0 0 "[ . 1 . 2]" 2
764 1 45 HIS HB3 1 48 HIS HE1 . . 5.170 4.856 4.681 5.128 . 0 0 "[ . 1 . 2]" 2
765 1 12 GLN HA 1 14 VAL H . . 5.500 5.486 5.400 5.588 0.088 14 0 "[ . 1 . 2]" 2
766 1 12 GLN HB2 1 14 VAL MG1 . . 5.500 3.886 3.322 5.378 . 0 0 "[ . 1 . 2]" 2
767 1 12 GLN HB3 1 14 VAL MG1 . . 5.500 4.365 3.191 5.529 0.029 20 0 "[ . 1 . 2]" 2
768 1 12 GLN QG 1 14 VAL MG1 . . 5.420 4.630 2.786 5.322 . 0 0 "[ . 1 . 2]" 2
769 1 13 LYS HA 1 13 LYS HG2 . . 3.860 3.442 2.424 3.795 . 0 0 "[ . 1 . 2]" 2
770 1 13 LYS HB3 1 14 VAL MG1 . . 5.500 5.442 5.177 5.566 0.066 2 0 "[ . 1 . 2]" 2
771 1 13 LYS HB2 1 14 VAL MG1 . . 5.500 5.274 5.125 5.566 0.066 8 0 "[ . 1 . 2]" 2
772 1 13 LYS HB3 1 16 HIS HB2 . . 5.490 4.457 3.204 4.992 . 0 0 "[ . 1 . 2]" 2
773 1 13 LYS HB2 1 16 HIS HB2 . . 5.490 4.292 3.157 5.480 . 0 0 "[ . 1 . 2]" 2
774 1 13 LYS HG2 1 14 VAL H . . 5.500 5.090 3.264 5.488 . 0 0 "[ . 1 . 2]" 2
775 1 13 LYS HG3 1 14 VAL H . . 5.500 4.837 4.426 5.636 0.136 14 0 "[ . 1 . 2]" 2
776 1 26 LEU HG 1 37 TRP HH2 . . 4.780 3.762 3.370 4.842 0.062 15 0 "[ . 1 . 2]" 2
777 1 27 PHE HB3 1 53 THR HA . . 5.290 4.730 4.397 5.104 . 0 0 "[ . 1 . 2]" 2
778 1 52 PRO HB2 1 53 THR HA . . 5.500 4.930 4.715 5.216 . 0 0 "[ . 1 . 2]" 2
779 1 42 SER HB3 1 45 HIS H . . 4.940 3.062 2.727 4.286 . 0 0 "[ . 1 . 2]" 2
780 1 42 SER HB3 1 45 HIS HD2 . . 5.500 4.131 3.314 5.107 . 0 0 "[ . 1 . 2]" 2
781 1 42 SER HB2 1 45 HIS H . . 4.940 4.280 3.325 4.767 . 0 0 "[ . 1 . 2]" 2
782 1 43 GLN HA 1 45 HIS H . . 4.760 4.330 3.940 4.651 . 0 0 "[ . 1 . 2]" 2
783 1 43 GLN HA 1 46 ARG QG . . 3.680 2.931 1.890 3.719 0.039 7 0 "[ . 1 . 2]" 2
784 1 44 GLU HA 1 46 ARG H . . 4.490 4.166 3.912 4.432 . 0 0 "[ . 1 . 2]" 2
785 1 45 HIS HB3 1 50 THR MG . . 5.390 3.917 3.690 4.078 . 0 0 "[ . 1 . 2]" 2
786 1 28 CYS HB2 1 45 HIS HE1 . . 5.100 4.379 4.145 4.566 . 0 0 "[ . 1 . 2]" 2
787 1 33 LYS HG2 1 45 HIS HE1 . . 5.370 3.378 2.963 3.560 . 0 0 "[ . 1 . 2]" 2
788 1 33 LYS HG3 1 45 HIS HE1 . . 5.370 3.328 3.186 3.472 . 0 0 "[ . 1 . 2]" 2
789 1 31 ASP HB2 1 33 LYS HD2 . . 5.120 3.657 2.941 5.066 . 0 0 "[ . 1 . 2]" 2
790 1 31 ASP HB2 1 33 LYS HB2 . . 5.230 5.132 4.998 5.258 0.028 12 0 "[ . 1 . 2]" 2
791 1 33 LYS HB3 1 45 HIS HE1 . . 5.500 5.490 5.190 5.600 0.100 9 0 "[ . 1 . 2]" 2
792 1 33 LYS HB2 1 45 HIS HE1 . . 5.500 5.400 5.303 5.558 0.058 11 0 "[ . 1 . 2]" 2
793 1 31 ASP HB2 1 33 LYS HB3 . . 5.400 4.579 4.328 4.803 . 0 0 "[ . 1 . 2]" 2
794 1 31 ASP HB3 1 33 LYS HG2 . . 4.340 2.414 1.967 2.570 . 0 0 "[ . 1 . 2]" 2
795 1 19 ARG HB3 1 19 ARG HD2 . . 3.870 3.033 2.843 3.394 . 0 0 "[ . 1 . 2]" 2
796 1 19 ARG HB3 1 19 ARG HD3 . . 3.870 2.700 2.478 2.908 . 0 0 "[ . 1 . 2]" 2
797 1 42 SER H 1 45 HIS HB3 . . 5.500 5.425 5.216 5.535 0.035 5 0 "[ . 1 . 2]" 2
798 1 9 PRO QD 1 10 GLU H . . 4.020 2.734 2.611 2.988 . 0 0 "[ . 1 . 2]" 2
799 1 9 PRO QD 1 10 GLU QB . . 4.890 4.215 3.835 4.768 . 0 0 "[ . 1 . 2]" 2
800 1 10 GLU H 1 10 GLU QB . . 3.110 2.553 2.253 3.099 . 0 0 "[ . 1 . 2]" 2
801 1 10 GLU QB 1 11 GLY H . . 4.210 3.373 2.117 4.042 . 0 0 "[ . 1 . 2]" 2
802 1 10 GLU QB 1 11 GLY QA . . 4.540 4.031 3.628 4.395 . 0 0 "[ . 1 . 2]" 2
803 1 11 GLY QA 1 12 GLN QB . . 4.510 4.122 3.871 4.388 . 0 0 "[ . 1 . 2]" 2
804 1 12 GLN H 1 12 GLN QB . . 3.130 2.499 2.185 2.881 . 0 0 "[ . 1 . 2]" 2
805 1 12 GLN QB 1 13 LYS H . . 3.900 3.429 2.657 3.669 . 0 0 "[ . 1 . 2]" 2
806 1 12 GLN QB 1 14 VAL MG1 . . 4.660 3.524 3.078 3.961 . 0 0 "[ . 1 . 2]" 2
807 1 13 LYS H 1 13 LYS QB . . 3.270 2.665 2.147 3.159 . 0 0 "[ . 1 . 2]" 2
808 1 13 LYS H 1 13 LYS QG . . 4.000 2.228 1.861 3.816 . 0 0 "[ . 1 . 2]" 2
809 1 13 LYS QB 1 14 VAL H . . 3.740 3.560 3.480 3.844 0.104 18 0 "[ . 1 . 2]" 2
810 1 13 LYS QB 1 16 HIS HB2 . . 4.760 3.697 3.075 4.614 . 0 0 "[ . 1 . 2]" 2
811 1 13 LYS QG 1 14 VAL H . . 4.730 4.362 3.184 4.671 . 0 0 "[ . 1 . 2]" 2
812 1 14 VAL MG1 1 23 LYS QB . . 3.850 3.034 2.645 3.653 . 0 0 "[ . 1 . 2]" 2
813 1 14 VAL MG1 1 23 LYS QG . . 4.200 2.653 2.096 3.533 . 0 0 "[ . 1 . 2]" 2
814 1 16 HIS HD2 1 23 LYS QG . . 4.930 3.907 3.038 4.292 . 0 0 "[ . 1 . 2]" 2
815 1 16 HIS HE1 1 23 LYS QB . . 5.000 4.184 3.896 4.894 . 0 0 "[ . 1 . 2]" 2
816 1 16 HIS HE1 1 23 LYS QG . . 4.420 2.153 1.903 2.873 . 0 0 "[ . 1 . 2]" 2
817 1 19 ARG HA 1 19 ARG QD . . 4.090 3.939 3.828 4.047 . 0 0 "[ . 1 . 2]" 2
818 1 19 ARG HB2 1 19 ARG QD . . 3.110 2.255 2.143 2.398 . 0 0 "[ . 1 . 2]" 2
819 1 20 HIS HB3 1 38 LEU QB . . 4.170 3.105 2.735 3.376 . 0 0 "[ . 1 . 2]" 2
820 1 20 HIS HD2 1 38 LEU QB . . 4.700 2.865 2.629 3.108 . 0 0 "[ . 1 . 2]" 2
821 1 20 HIS HE1 1 38 LEU QB . . 4.640 3.257 2.879 3.802 . 0 0 "[ . 1 . 2]" 2
822 1 20 HIS HE1 1 39 CYS QB . . 4.460 3.999 3.820 4.211 . 0 0 "[ . 1 . 2]" 2
823 1 20 HIS HE1 1 42 SER QB . . 4.460 3.892 3.469 4.265 . 0 0 "[ . 1 . 2]" 2
824 1 22 GLU H 1 22 GLU QB . . 3.070 2.197 2.153 2.258 . 0 0 "[ . 1 . 2]" 2
825 1 22 GLU QB 1 23 LYS H . . 3.770 2.897 2.702 3.016 . 0 0 "[ . 1 . 2]" 2
826 1 22 GLU QB 1 23 LYS HA . . 5.340 4.521 4.439 4.569 . 0 0 "[ . 1 . 2]" 2
827 1 22 GLU QB 1 36 CYS HB2 . . 3.350 2.021 1.831 2.209 . 0 0 "[ . 1 . 2]" 2
828 1 22 GLU QB 1 37 TRP H . . 4.070 3.200 2.934 3.825 . 0 0 "[ . 1 . 2]" 2
829 1 22 GLU QB 1 37 TRP HD1 . . 4.760 3.280 2.896 3.567 . 0 0 "[ . 1 . 2]" 2
830 1 22 GLU QB 1 38 LEU H . . 4.510 3.590 3.306 3.903 . 0 0 "[ . 1 . 2]" 2
831 1 22 GLU QG 1 38 LEU QD . . 4.840 2.081 1.835 3.152 . 0 0 "[ . 1 . 2]" 2
832 1 23 LYS H 1 23 LYS QB . . 3.510 2.461 2.150 2.660 . 0 0 "[ . 1 . 2]" 2
833 1 23 LYS H 1 23 LYS QG . . 3.600 2.183 1.790 2.912 . 0 0 "[ . 1 . 2]" 2
834 1 23 LYS HA 1 23 LYS QG . . 3.350 2.483 2.138 2.635 . 0 0 "[ . 1 . 2]" 2
835 1 23 LYS HA 1 25 LEU QD . . 5.440 4.410 3.668 4.657 . 0 0 "[ . 1 . 2]" 2
836 1 23 LYS QB 1 23 LYS QE . . 4.550 2.397 2.005 3.351 . 0 0 "[ . 1 . 2]" 2
837 1 23 LYS QB 1 25 LEU QD . . 3.010 2.548 1.932 2.760 . 0 0 "[ . 1 . 2]" 2
838 1 23 LYS QE 1 23 LYS QG . . 3.020 2.252 2.080 2.692 . 0 0 "[ . 1 . 2]" 2
839 1 23 LYS QG 1 24 LEU H . . 4.470 4.133 3.541 4.425 . 0 0 "[ . 1 . 2]" 2
840 1 23 LYS QD 1 25 LEU QD . . 3.880 3.320 2.714 3.626 . 0 0 "[ . 1 . 2]" 2
841 1 23 LYS QE 1 25 LEU QD . . 4.210 2.982 2.483 4.052 . 0 0 "[ . 1 . 2]" 2
842 1 24 LEU H 1 25 LEU QD . . 5.440 4.071 3.174 4.299 . 0 0 "[ . 1 . 2]" 2
843 1 24 LEU HB2 1 25 LEU QD . . 5.440 4.669 4.321 4.802 . 0 0 "[ . 1 . 2]" 2
844 1 25 LEU H 1 25 LEU QD . . 3.480 3.304 1.918 3.415 . 0 0 "[ . 1 . 2]" 2
845 1 25 LEU HA 1 25 LEU QD . . 2.820 2.230 1.970 3.004 0.184 18 0 "[ . 1 . 2]" 2
846 1 25 LEU HB2 1 26 LEU QD . . 4.300 3.483 2.317 3.935 . 0 0 "[ . 1 . 2]" 2
847 1 25 LEU HB3 1 25 LEU QD . . 2.980 2.094 2.023 2.257 . 0 0 "[ . 1 . 2]" 2
848 1 25 LEU QD 1 26 LEU H . . 4.850 4.314 3.530 4.411 . 0 0 "[ . 1 . 2]" 2
849 1 25 LEU QD 1 37 TRP HZ2 . . 3.920 2.223 1.969 2.579 . 0 0 "[ . 1 . 2]" 2
850 1 25 LEU QD 1 54 SER QB . . 5.280 2.920 1.828 4.514 . 0 0 "[ . 1 . 2]" 2
851 1 25 LEU QD 1 55 GLY H . . 4.890 3.609 3.109 4.340 . 0 0 "[ . 1 . 2]" 2
852 1 25 LEU QD 1 55 GLY QA . . 4.220 3.196 1.965 4.101 . 0 0 "[ . 1 . 2]" 2
853 1 26 LEU H 1 26 LEU QD . . 4.290 3.193 2.077 3.490 . 0 0 "[ . 1 . 2]" 2
854 1 26 LEU HA 1 26 LEU QD . . 3.250 2.220 1.909 2.437 . 0 0 "[ . 1 . 2]" 2
855 1 26 LEU QD 1 27 PHE H . . 3.790 3.376 2.970 3.680 . 0 0 "[ . 1 . 2]" 2
856 1 26 LEU QD 1 35 ILE HG13 . . 4.360 3.046 2.647 3.813 . 0 0 "[ . 1 . 2]" 2
857 1 26 LEU QD 1 35 ILE MD . . 4.690 3.474 2.880 4.535 . 0 0 "[ . 1 . 2]" 2
858 1 26 LEU QD 1 36 CYS H . . 5.280 4.833 4.426 5.140 . 0 0 "[ . 1 . 2]" 2
859 1 26 LEU QD 1 36 CYS HA . . 4.820 3.251 2.343 3.838 . 0 0 "[ . 1 . 2]" 2
860 1 26 LEU QD 1 37 TRP H . . 5.390 3.692 2.761 4.237 . 0 0 "[ . 1 . 2]" 2
861 1 26 LEU QD 1 37 TRP HA . . 3.420 3.235 3.012 3.425 0.005 16 0 "[ . 1 . 2]" 2
862 1 26 LEU QD 1 37 TRP HZ3 . . 4.160 1.992 1.849 2.183 . 0 0 "[ . 1 . 2]" 2
863 1 26 LEU QD 1 37 TRP HH2 . . 4.340 3.465 2.456 3.823 . 0 0 "[ . 1 . 2]" 2
864 1 26 LEU QD 1 40 GLU QB . . 4.010 2.786 2.491 3.690 . 0 0 "[ . 1 . 2]" 2
865 1 26 LEU QD 1 40 GLU QG . . 4.420 3.414 2.712 4.235 . 0 0 "[ . 1 . 2]" 2
866 1 26 LEU QD 1 50 THR HA . . 5.020 4.556 4.159 4.920 . 0 0 "[ . 1 . 2]" 2
867 1 26 LEU QD 1 50 THR HB . . 3.570 2.884 2.205 3.313 . 0 0 "[ . 1 . 2]" 2
868 1 26 LEU QD 1 50 THR MG . . 4.060 3.202 2.801 3.832 . 0 0 "[ . 1 . 2]" 2
869 1 26 LEU QD 1 51 PHE H . . 4.340 3.830 3.541 4.228 . 0 0 "[ . 1 . 2]" 2
870 1 26 LEU QD 1 51 PHE HA . . 4.350 3.680 3.252 3.932 . 0 0 "[ . 1 . 2]" 2
871 1 26 LEU QD 1 52 PRO HA . . 3.510 2.747 2.316 2.998 . 0 0 "[ . 1 . 2]" 2
872 1 26 LEU QD 1 52 PRO HB2 . . 4.700 4.515 4.081 4.667 . 0 0 "[ . 1 . 2]" 2
873 1 26 LEU QD 1 52 PRO HB3 . . 4.250 3.293 2.979 3.476 . 0 0 "[ . 1 . 2]" 2
874 1 26 LEU QD 1 52 PRO HD2 . . 4.740 4.552 4.215 4.724 . 0 0 "[ . 1 . 2]" 2
875 1 26 LEU QD 1 52 PRO HD3 . . 5.020 3.439 3.091 3.711 . 0 0 "[ . 1 . 2]" 2
876 1 26 LEU QD 1 53 THR H . . 4.400 4.113 3.642 4.352 . 0 0 "[ . 1 . 2]" 2
877 1 27 PHE QE 1 32 GLY QA . . 3.320 2.307 2.211 2.387 . 0 0 "[ . 1 . 2]" 2
878 1 27 PHE HZ 1 32 GLY QA . . 3.630 3.154 2.915 3.285 . 0 0 "[ . 1 . 2]" 2
879 1 29 GLN H 1 29 GLN QG . . 3.450 2.649 1.883 2.994 . 0 0 "[ . 1 . 2]" 2
880 1 29 GLN HA 1 29 GLN QG . . 3.480 2.735 2.290 3.413 . 0 0 "[ . 1 . 2]" 2
881 1 29 GLN HA 1 32 GLY QA . . 4.180 2.982 2.729 3.195 . 0 0 "[ . 1 . 2]" 2
882 1 29 GLN QG 1 30 GLU H . . 4.290 3.579 1.905 4.306 0.016 4 0 "[ . 1 . 2]" 2
883 1 29 GLN QG 1 32 GLY H . . 5.340 5.156 4.861 5.267 . 0 0 "[ . 1 . 2]" 2
884 1 29 GLN QG 1 49 HIS QB . . 4.020 2.966 1.778 3.677 . 0 0 "[ . 1 . 2]" 2
885 1 29 GLN QG 1 51 PHE QD . . 4.540 3.083 2.289 4.296 . 0 0 "[ . 1 . 2]" 2
886 1 29 GLN QG 1 51 PHE QE . . 4.030 2.015 1.938 2.435 . 0 0 "[ . 1 . 2]" 2
887 1 30 GLU H 1 30 GLU QB . . 3.070 2.285 2.119 2.463 . 0 0 "[ . 1 . 2]" 2
888 1 30 GLU QB 1 31 ASP H . . 3.670 2.639 2.373 2.860 . 0 0 "[ . 1 . 2]" 2
889 1 30 GLU QB 1 32 GLY H . . 4.740 4.424 4.272 4.550 . 0 0 "[ . 1 . 2]" 2
890 1 30 GLU QB 1 48 HIS HE1 . . 4.410 3.976 3.585 4.393 . 0 0 "[ . 1 . 2]" 2
891 1 31 ASP H 1 33 LYS QG . . 4.830 4.192 4.051 4.476 . 0 0 "[ . 1 . 2]" 2
892 1 31 ASP HB2 1 33 LYS QG . . 3.820 2.212 2.043 2.440 . 0 0 "[ . 1 . 2]" 2
893 1 31 ASP HB2 1 33 LYS QD . . 4.440 3.297 2.878 4.071 . 0 0 "[ . 1 . 2]" 2
894 1 31 ASP HB3 1 33 LYS QG . . 3.630 2.214 1.948 2.366 . 0 0 "[ . 1 . 2]" 2
895 1 31 ASP HB3 1 33 LYS QD . . 4.060 3.523 3.365 3.852 . 0 0 "[ . 1 . 2]" 2
896 1 32 GLY H 1 33 LYS QG . . 4.450 3.721 3.602 3.991 . 0 0 "[ . 1 . 2]" 2
897 1 33 LYS HA 1 33 LYS QG . . 3.650 3.361 3.323 3.388 . 0 0 "[ . 1 . 2]" 2
898 1 33 LYS HA 1 33 LYS QD . . 4.590 4.033 3.818 4.405 . 0 0 "[ . 1 . 2]" 2
899 1 33 LYS QG 1 35 ILE MG . . 3.470 3.054 2.212 3.445 . 0 0 "[ . 1 . 2]" 2
900 1 33 LYS QD 1 35 ILE MG . . 3.430 2.189 1.725 3.231 . 0 0 "[ . 1 . 2]" 2
901 1 35 ILE MG 1 39 CYS QB . . 3.360 2.817 2.626 2.972 . 0 0 "[ . 1 . 2]" 2
902 1 35 ILE MD 1 39 CYS QB . . 3.270 2.631 2.404 2.900 . 0 0 "[ . 1 . 2]" 2
903 1 35 ILE MD 1 40 GLU QB . . 3.620 2.057 1.911 2.367 . 0 0 "[ . 1 . 2]" 2
904 1 36 CYS H 1 39 CYS QB . . 3.160 2.048 1.869 2.205 . 0 0 "[ . 1 . 2]" 2
905 1 37 TRP HA 1 40 GLU QB . . 3.560 2.671 2.441 2.847 . 0 0 "[ . 1 . 2]" 2
906 1 38 LEU H 1 38 LEU QB . . 3.270 2.353 2.162 2.693 . 0 0 "[ . 1 . 2]" 2
907 1 38 LEU H 1 38 LEU QD . . 3.710 1.894 1.733 2.390 . 0 0 "[ . 1 . 2]" 2
908 1 38 LEU H 1 41 ARG QB . . 5.340 5.149 4.790 5.323 . 0 0 "[ . 1 . 2]" 2
909 1 38 LEU HA 1 38 LEU QD . . 3.440 1.972 1.898 2.113 . 0 0 "[ . 1 . 2]" 2
910 1 38 LEU HA 1 41 ARG QB . . 4.200 3.480 2.662 4.031 . 0 0 "[ . 1 . 2]" 2
911 1 38 LEU QB 1 39 CYS H . . 3.340 2.558 2.395 2.779 . 0 0 "[ . 1 . 2]" 2
912 1 38 LEU QB 1 39 CYS HA . . 5.340 3.838 3.781 3.900 . 0 0 "[ . 1 . 2]" 2
913 1 38 LEU QD 1 39 CYS H . . 4.570 3.787 3.656 3.960 . 0 0 "[ . 1 . 2]" 2
914 1 38 LEU QD 1 41 ARG QB . . 5.280 4.042 3.523 4.370 . 0 0 "[ . 1 . 2]" 2
915 1 38 LEU QD 1 41 ARG QD . . 4.860 3.381 2.122 4.678 . 0 0 "[ . 1 . 2]" 2
916 1 39 CYS H 1 39 CYS QB . . 3.040 2.277 2.169 2.357 . 0 0 "[ . 1 . 2]" 2
917 1 39 CYS HA 1 42 SER QB . . 3.420 2.271 1.972 2.616 . 0 0 "[ . 1 . 2]" 2
918 1 39 CYS QB 1 45 HIS HD2 . . 3.720 2.355 1.986 2.806 . 0 0 "[ . 1 . 2]" 2
919 1 40 GLU QB 1 41 ARG H . . 3.860 2.613 2.462 2.937 . 0 0 "[ . 1 . 2]" 2
920 1 40 GLU QB 1 42 SER H . . 5.000 4.450 4.361 4.652 . 0 0 "[ . 1 . 2]" 2
921 1 40 GLU QB 1 50 THR MG . . 4.380 3.042 2.564 3.548 . 0 0 "[ . 1 . 2]" 2
922 1 41 ARG H 1 41 ARG QB . . 3.060 2.409 2.209 2.482 . 0 0 "[ . 1 . 2]" 2
923 1 41 ARG QB 1 42 SER H . . 3.790 3.625 3.311 3.758 . 0 0 "[ . 1 . 2]" 2
924 1 42 SER H 1 42 SER QB . . 3.040 2.302 2.141 2.505 . 0 0 "[ . 1 . 2]" 2
925 1 42 SER QB 1 44 GLU H . . 4.650 2.702 2.108 3.049 . 0 0 "[ . 1 . 2]" 2
926 1 42 SER QB 1 45 HIS H . . 4.210 2.925 2.699 3.565 . 0 0 "[ . 1 . 2]" 2
927 1 42 SER QB 1 45 HIS HD2 . . 4.820 3.844 3.222 4.179 . 0 0 "[ . 1 . 2]" 2
928 1 43 GLN HA 1 43 GLN QG . . 3.480 2.344 2.175 2.548 . 0 0 "[ . 1 . 2]" 2
929 1 43 GLN QB 1 44 GLU H . . 4.440 3.011 2.797 3.242 . 0 0 "[ . 1 . 2]" 2
930 1 43 GLN QG 1 44 GLU H . . 5.340 4.392 3.726 4.780 . 0 0 "[ . 1 . 2]" 2
931 1 43 GLN QG 1 46 ARG QB . . 4.320 3.450 2.906 3.942 . 0 0 "[ . 1 . 2]" 2
932 1 43 GLN QG 1 46 ARG QG . . 4.470 3.685 2.220 4.484 0.014 5 0 "[ . 1 . 2]" 2
933 1 43 GLN QG 1 46 ARG QD . . 4.370 2.886 2.014 3.973 . 0 0 "[ . 1 . 2]" 2
934 1 44 GLU H 1 44 GLU QB . . 3.620 2.310 2.134 2.550 . 0 0 "[ . 1 . 2]" 2
935 1 44 GLU H 1 44 GLU QG . . 4.330 3.144 1.953 4.044 . 0 0 "[ . 1 . 2]" 2
936 1 44 GLU HA 1 44 GLU QG . . 3.070 2.496 2.164 3.240 0.170 10 0 "[ . 1 . 2]" 2
937 1 44 GLU QG 1 45 HIS H . . 4.340 3.846 2.068 4.337 . 0 0 "[ . 1 . 2]" 2
938 1 44 GLU QG 1 45 HIS HD2 . . 5.340 4.113 2.142 5.137 . 0 0 "[ . 1 . 2]" 2
939 1 46 ARG HA 1 47 GLY QA . . 4.490 3.951 3.914 3.984 . 0 0 "[ . 1 . 2]" 2
940 1 46 ARG QG 1 47 GLY QA . . 3.950 3.484 3.018 3.783 . 0 0 "[ . 1 . 2]" 2
941 1 54 SER H 1 54 SER QB . . 3.600 2.576 2.214 3.164 . 0 0 "[ . 1 . 2]" 2
942 1 54 SER QB 1 55 GLY H . . 4.350 2.976 2.120 3.924 . 0 0 "[ . 1 . 2]" 2
943 1 55 GLY QA 1 56 PRO QD . . 2.420 1.911 1.842 2.028 . 0 0 "[ . 1 . 2]" 2
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