NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508229 |
2eon   |
10220 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eon
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 80
_Distance_constraint_stats_list.Viol_total 1.930
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0012
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 15 CYS 0.049 0.004 8 0 "[ . 1 . 2]"
1 18 CYS 0.032 0.004 11 0 "[ . 1 . 2]"
1 31 HIS 0.032 0.005 2 0 "[ . 1 . 2]"
1 35 HIS 0.023 0.004 11 0 "[ . 1 . 2]"
2 1 ZN 0.057 0.005 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.389 2.375 2.393 0.003 15 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.250 3.246 3.258 0.004 9 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.301 2.211 2.386 . 0 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.506 3.483 3.512 0.002 15 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.088 2.027 2.105 0.005 2 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 1.935 1.896 2.004 0.004 11 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.880 3.733 3.961 0.001 6 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.444 3.320 3.602 0.000 18 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.712 3.643 3.724 0.004 8 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.319 3.316 3.321 0.004 11 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.670 3.575 3.721 0.001 11 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.163 3.002 3.352 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 655
_Distance_constraint_stats_list.Viol_count 347
_Distance_constraint_stats_list.Viol_total 69.344
_Distance_constraint_stats_list.Viol_max 0.083
_Distance_constraint_stats_list.Viol_rms 0.0026
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0100
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.002 0.002 19 0 "[ . 1 . 2]"
1 10 GLU 0.070 0.033 19 0 "[ . 1 . 2]"
1 11 LYS 0.034 0.009 17 0 "[ . 1 . 2]"
1 12 PRO 0.178 0.026 12 0 "[ . 1 . 2]"
1 13 TYR 0.365 0.042 12 0 "[ . 1 . 2]"
1 14 LYS 0.306 0.042 12 0 "[ . 1 . 2]"
1 15 CYS 0.181 0.030 7 0 "[ . 1 . 2]"
1 16 GLN 0.102 0.029 4 0 "[ . 1 . 2]"
1 17 VAL 0.371 0.030 7 0 "[ . 1 . 2]"
1 18 CYS 0.038 0.012 16 0 "[ . 1 . 2]"
1 19 GLY 0.176 0.022 7 0 "[ . 1 . 2]"
1 20 LYS 0.147 0.054 19 0 "[ . 1 . 2]"
1 21 ALA 0.062 0.012 15 0 "[ . 1 . 2]"
1 22 PHE 0.497 0.054 19 0 "[ . 1 . 2]"
1 23 ARG 0.194 0.034 12 0 "[ . 1 . 2]"
1 24 VAL 0.777 0.061 14 0 "[ . 1 . 2]"
1 25 SER 0.059 0.016 3 0 "[ . 1 . 2]"
1 26 SER 0.025 0.009 19 0 "[ . 1 . 2]"
1 27 HIS 0.110 0.009 11 0 "[ . 1 . 2]"
1 28 LEU 0.897 0.061 14 0 "[ . 1 . 2]"
1 29 VAL 0.383 0.042 14 0 "[ . 1 . 2]"
1 30 GLN 0.061 0.008 16 0 "[ . 1 . 2]"
1 31 HIS 0.150 0.012 14 0 "[ . 1 . 2]"
1 32 HIS 0.049 0.007 14 0 "[ . 1 . 2]"
1 33 SER 0.137 0.027 14 0 "[ . 1 . 2]"
1 34 VAL 0.180 0.027 14 0 "[ . 1 . 2]"
1 35 HIS 0.079 0.015 2 0 "[ . 1 . 2]"
1 36 SER 0.018 0.018 15 0 "[ . 1 . 2]"
1 37 GLY 0.095 0.066 17 0 "[ . 1 . 2]"
1 38 GLU 0.454 0.083 17 0 "[ . 1 . 2]"
1 39 ARG 0.284 0.083 17 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 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 28 LEU H 1 29 VAL H . . 3.490 2.840 2.737 3.002 . 0 0 "[ . 1 . 2]" 2
2 1 22 PHE QD 1 28 LEU H . . 4.140 3.717 3.589 3.895 . 0 0 "[ . 1 . 2]" 2
3 1 22 PHE HB3 1 28 LEU H . . 4.230 3.131 2.983 3.253 . 0 0 "[ . 1 . 2]" 2
4 1 27 HIS HB3 1 28 LEU H . . 3.990 3.200 3.054 3.438 . 0 0 "[ . 1 . 2]" 2
5 1 27 HIS HB2 1 28 LEU H . . 3.990 2.346 2.114 2.460 . 0 0 "[ . 1 . 2]" 2
6 1 25 SER HA 1 28 LEU H . . 3.920 3.815 3.611 3.936 0.016 3 0 "[ . 1 . 2]" 2
7 1 28 LEU H 1 28 LEU HB2 . . 3.420 2.704 2.634 2.806 . 0 0 "[ . 1 . 2]" 2
8 1 28 LEU H 1 28 LEU HB3 . . 3.710 2.336 2.235 2.408 . 0 0 "[ . 1 . 2]" 2
9 1 28 LEU H 1 28 LEU MD1 . . 4.510 4.167 4.103 4.254 . 0 0 "[ . 1 . 2]" 2
10 1 28 LEU H 1 28 LEU MD2 . . 4.860 4.193 4.150 4.253 . 0 0 "[ . 1 . 2]" 2
11 1 13 TYR QD 1 28 LEU H . . 5.210 4.696 4.499 4.971 . 0 0 "[ . 1 . 2]" 2
12 1 27 HIS HD2 1 28 LEU H . . 5.500 4.993 4.868 5.072 . 0 0 "[ . 1 . 2]" 2
13 1 26 SER HA 1 28 LEU H . . 5.270 4.836 4.537 5.142 . 0 0 "[ . 1 . 2]" 2
14 1 16 GLN H 1 17 VAL H . . 4.180 1.812 1.781 1.911 . 0 0 "[ . 1 . 2]" 2
15 1 17 VAL H 1 18 CYS H . . 3.270 2.502 2.376 2.595 . 0 0 "[ . 1 . 2]" 2
16 1 17 VAL H 1 19 GLY H . . 3.890 3.559 3.418 3.670 . 0 0 "[ . 1 . 2]" 2
17 1 17 VAL H 1 35 HIS HD2 . . 5.400 5.178 4.987 5.307 . 0 0 "[ . 1 . 2]" 2
18 1 17 VAL H 1 18 CYS HA . . 5.200 5.144 5.044 5.212 0.012 16 0 "[ . 1 . 2]" 2
19 1 15 CYS HA 1 17 VAL H . . 4.270 4.253 4.123 4.300 0.030 7 0 "[ . 1 . 2]" 2
20 1 15 CYS HB3 1 17 VAL H . . 4.420 3.612 3.441 3.741 . 0 0 "[ . 1 . 2]" 2
21 1 17 VAL H 1 18 CYS HB3 . . 5.340 5.201 5.089 5.330 . 0 0 "[ . 1 . 2]" 2
22 1 16 GLN HB2 1 17 VAL H . . 4.380 2.888 2.788 3.086 . 0 0 "[ . 1 . 2]" 2
23 1 16 GLN HB3 1 17 VAL H . . 4.380 3.993 3.915 4.161 . 0 0 "[ . 1 . 2]" 2
24 1 17 VAL H 1 17 VAL MG2 . . 3.570 1.881 1.847 1.944 . 0 0 "[ . 1 . 2]" 2
25 1 11 LYS H 1 12 PRO QD . . 4.480 4.347 4.262 4.376 . 0 0 "[ . 1 . 2]" 2
26 1 10 GLU QG 1 11 LYS H . . 4.550 4.143 3.868 4.505 . 0 0 "[ . 1 . 2]" 2
27 1 11 LYS H 1 11 LYS HG2 . . 4.150 3.285 1.883 4.083 . 0 0 "[ . 1 . 2]" 2
28 1 10 GLU HA 1 11 LYS H . . 3.080 2.159 2.139 2.242 . 0 0 "[ . 1 . 2]" 2
29 1 11 LYS H 1 11 LYS QE . . 4.820 4.147 2.796 4.816 . 0 0 "[ . 1 . 2]" 2
30 1 11 LYS H 1 11 LYS HB2 . . 3.720 2.522 2.339 2.829 . 0 0 "[ . 1 . 2]" 2
31 1 11 LYS H 1 11 LYS HG3 . . 4.150 2.772 1.994 4.035 . 0 0 "[ . 1 . 2]" 2
32 1 19 GLY H 1 20 LYS H . . 3.660 2.221 2.138 2.262 . 0 0 "[ . 1 . 2]" 2
33 1 15 CYS HB3 1 19 GLY H . . 3.850 1.917 1.888 1.987 . 0 0 "[ . 1 . 2]" 2
34 1 15 CYS HB2 1 19 GLY H . . 4.030 3.608 3.553 3.705 . 0 0 "[ . 1 . 2]" 2
35 1 19 GLY H 1 20 LYS HB2 . . 4.210 4.116 4.032 4.181 . 0 0 "[ . 1 . 2]" 2
36 1 15 CYS H 1 19 GLY H . . 4.480 4.449 4.391 4.490 0.010 7 0 "[ . 1 . 2]" 2
37 1 17 VAL MG1 1 19 GLY H . . 5.500 5.316 5.224 5.451 . 0 0 "[ . 1 . 2]" 2
38 1 17 VAL MG2 1 19 GLY H . . 4.500 3.440 3.352 3.535 . 0 0 "[ . 1 . 2]" 2
39 1 33 SER H 1 35 HIS H . . 4.400 4.255 4.194 4.346 . 0 0 "[ . 1 . 2]" 2
40 1 33 SER H 1 34 VAL HB . . 5.500 5.502 5.466 5.527 0.027 14 0 "[ . 1 . 2]" 2
41 1 33 SER H 1 34 VAL MG1 . . 4.470 2.801 2.713 2.886 . 0 0 "[ . 1 . 2]" 2
42 1 32 HIS H 1 33 SER H . . 3.630 2.654 2.636 2.666 . 0 0 "[ . 1 . 2]" 2
43 1 32 HIS HA 1 33 SER H . . 3.550 3.286 3.261 3.309 . 0 0 "[ . 1 . 2]" 2
44 1 33 SER H 1 33 SER QB . . 3.110 2.515 2.343 2.924 . 0 0 "[ . 1 . 2]" 2
45 1 32 HIS HB2 1 33 SER H . . 3.760 3.582 3.516 3.656 . 0 0 "[ . 1 . 2]" 2
46 1 11 LYS QD 1 23 ARG H . . 4.770 2.215 1.893 2.642 . 0 0 "[ . 1 . 2]" 2
47 1 22 PHE HB3 1 23 ARG H . . 4.510 3.633 3.363 3.767 . 0 0 "[ . 1 . 2]" 2
48 1 23 ARG H 1 23 ARG HD2 . . 5.500 4.477 4.224 4.702 . 0 0 "[ . 1 . 2]" 2
49 1 23 ARG H 1 23 ARG HD3 . . 5.500 4.409 3.853 4.762 . 0 0 "[ . 1 . 2]" 2
50 1 22 PHE HB2 1 23 ARG H . . 4.840 4.196 4.064 4.273 . 0 0 "[ . 1 . 2]" 2
51 1 23 ARG H 1 23 ARG HG2 . . 4.400 2.141 1.900 2.331 . 0 0 "[ . 1 . 2]" 2
52 1 27 HIS H 1 28 LEU H . . 3.420 3.036 2.741 3.179 . 0 0 "[ . 1 . 2]" 2
53 1 26 SER QB 1 27 HIS H . . 4.240 2.465 1.874 3.323 . 0 0 "[ . 1 . 2]" 2
54 1 22 PHE HB3 1 27 HIS H . . 5.080 4.877 4.661 5.059 . 0 0 "[ . 1 . 2]" 2
55 1 27 HIS H 1 27 HIS HB3 . . 3.680 3.597 3.562 3.624 . 0 0 "[ . 1 . 2]" 2
56 1 27 HIS H 1 27 HIS HB2 . . 3.620 2.482 2.324 2.653 . 0 0 "[ . 1 . 2]" 2
57 1 22 PHE HB2 1 27 HIS H . . 5.500 5.269 4.962 5.477 . 0 0 "[ . 1 . 2]" 2
58 1 24 VAL HB 1 27 HIS H . . 4.160 3.719 3.403 4.055 . 0 0 "[ . 1 . 2]" 2
59 1 27 HIS H 1 28 LEU HB3 . . 5.070 4.890 4.557 5.076 0.006 4 0 "[ . 1 . 2]" 2
60 1 27 HIS H 1 29 VAL MG2 . . 4.840 4.809 4.637 4.849 0.009 2 0 "[ . 1 . 2]" 2
61 1 24 VAL MG1 1 27 HIS H . . 4.510 4.337 4.237 4.504 . 0 0 "[ . 1 . 2]" 2
62 1 24 VAL H 1 28 LEU H . . 5.390 4.609 4.514 4.726 . 0 0 "[ . 1 . 2]" 2
63 1 8 THR H 1 8 THR MG . . 4.320 2.177 1.879 3.281 . 0 0 "[ . 1 . 2]" 2
64 1 22 PHE HB3 1 24 VAL H . . 3.980 2.971 2.839 3.078 . 0 0 "[ . 1 . 2]" 2
65 1 24 VAL H 1 27 HIS HB3 . . 5.500 5.318 5.172 5.501 0.001 18 0 "[ . 1 . 2]" 2
66 1 22 PHE HB2 1 24 VAL H . . 4.210 3.311 3.178 3.542 . 0 0 "[ . 1 . 2]" 2
67 1 23 ARG HG3 1 24 VAL H . . 4.520 2.530 2.298 3.052 . 0 0 "[ . 1 . 2]" 2
68 1 23 ARG H 1 24 VAL H . . 3.910 2.784 2.687 2.864 . 0 0 "[ . 1 . 2]" 2
69 1 24 VAL H 1 27 HIS HB2 . . 4.630 3.894 3.744 4.027 . 0 0 "[ . 1 . 2]" 2
70 1 24 VAL H 1 25 SER HA . . 5.210 5.134 5.090 5.211 0.001 11 0 "[ . 1 . 2]" 2
71 1 23 ARG HB2 1 24 VAL H . . 4.050 3.829 3.519 4.015 . 0 0 "[ . 1 . 2]" 2
72 1 23 ARG HB3 1 24 VAL H . . 4.310 4.260 4.175 4.344 0.034 12 0 "[ . 1 . 2]" 2
73 1 14 LYS QB 1 16 GLN HE22 . . 4.490 3.990 3.512 4.475 . 0 0 "[ . 1 . 2]" 2
74 1 14 LYS QB 1 16 GLN HE21 . . 4.490 4.091 3.878 4.493 0.003 1 0 "[ . 1 . 2]" 2
75 1 38 GLU H 1 38 GLU HG2 . . 5.140 3.762 2.230 5.000 . 0 0 "[ . 1 . 2]" 2
76 1 38 GLU H 1 38 GLU HG3 . . 5.140 4.074 2.491 4.780 . 0 0 "[ . 1 . 2]" 2
77 1 38 GLU H 1 38 GLU HB2 . . 3.840 2.949 2.245 3.911 0.071 15 0 "[ . 1 . 2]" 2
78 1 10 GLU H 1 10 GLU QG . . 3.630 2.621 1.913 3.580 . 0 0 "[ . 1 . 2]" 2
79 1 10 GLU H 1 10 GLU HB2 . . 3.690 2.942 2.240 3.645 . 0 0 "[ . 1 . 2]" 2
80 1 33 SER H 1 34 VAL H . . 3.570 2.227 2.115 2.310 . 0 0 "[ . 1 . 2]" 2
81 1 34 VAL H 1 35 HIS HA . . 5.270 4.989 4.912 5.091 . 0 0 "[ . 1 . 2]" 2
82 1 31 HIS HB2 1 34 VAL H . . 5.500 5.463 5.335 5.509 0.009 10 0 "[ . 1 . 2]" 2
83 1 32 HIS HB2 1 34 VAL H . . 5.500 5.329 5.293 5.384 . 0 0 "[ . 1 . 2]" 2
84 1 34 VAL H 1 35 HIS HB2 . . 4.970 4.816 4.700 4.971 0.001 18 0 "[ . 1 . 2]" 2
85 1 15 CYS H 1 22 PHE QE . . 4.550 3.283 2.862 3.744 . 0 0 "[ . 1 . 2]" 2
86 1 15 CYS H 1 22 PHE QD . . 4.810 4.057 3.843 4.221 . 0 0 "[ . 1 . 2]" 2
87 1 15 CYS H 1 21 ALA HA . . 3.970 3.270 3.164 3.353 . 0 0 "[ . 1 . 2]" 2
88 1 14 LYS HA 1 15 CYS H . . 3.420 2.172 2.150 2.194 . 0 0 "[ . 1 . 2]" 2
89 1 15 CYS H 1 15 CYS HB3 . . 3.650 2.939 2.918 2.983 . 0 0 "[ . 1 . 2]" 2
90 1 15 CYS H 1 15 CYS HB2 . . 3.730 2.184 2.158 2.203 . 0 0 "[ . 1 . 2]" 2
91 1 14 LYS QB 1 15 CYS H . . 4.150 3.681 3.585 3.760 . 0 0 "[ . 1 . 2]" 2
92 1 15 CYS H 1 20 LYS HB2 . . 4.380 3.430 3.308 3.552 . 0 0 "[ . 1 . 2]" 2
93 1 14 LYS HG2 1 15 CYS H . . 4.040 2.702 2.506 3.384 . 0 0 "[ . 1 . 2]" 2
94 1 14 LYS HG3 1 15 CYS H . . 4.360 3.343 2.799 3.566 . 0 0 "[ . 1 . 2]" 2
95 1 15 CYS H 1 22 PHE H . . 5.200 5.012 4.778 5.183 . 0 0 "[ . 1 . 2]" 2
96 1 29 VAL HB 1 30 GLN HE22 . . 4.770 3.951 3.753 4.272 . 0 0 "[ . 1 . 2]" 2
97 1 29 VAL HB 1 30 GLN HE21 . . 4.940 2.467 2.297 2.767 . 0 0 "[ . 1 . 2]" 2
98 1 30 GLN HE22 1 30 GLN HG2 . . 3.760 3.510 3.499 3.526 . 0 0 "[ . 1 . 2]" 2
99 1 30 GLN HG2 1 31 HIS H . . 4.410 4.403 4.374 4.415 0.005 10 0 "[ . 1 . 2]" 2
100 1 30 GLN HE21 1 31 HIS H . . 4.670 4.625 4.567 4.668 . 0 0 "[ . 1 . 2]" 2
101 1 27 HIS HA 1 31 HIS H . . 4.680 4.482 4.335 4.611 . 0 0 "[ . 1 . 2]" 2
102 1 31 HIS H 1 31 HIS HB2 . . 3.160 3.078 3.030 3.114 . 0 0 "[ . 1 . 2]" 2
103 1 31 HIS H 1 31 HIS HB3 . . 3.390 2.193 2.181 2.209 . 0 0 "[ . 1 . 2]" 2
104 1 30 GLN QB 1 31 HIS H . . 3.370 2.905 2.818 2.982 . 0 0 "[ . 1 . 2]" 2
105 1 28 LEU MD1 1 31 HIS H . . 4.530 4.224 4.173 4.286 . 0 0 "[ . 1 . 2]" 2
106 1 37 GLY H 1 38 GLU H . . 4.530 3.656 2.493 4.520 . 0 0 "[ . 1 . 2]" 2
107 1 27 HIS H 1 29 VAL H . . 4.390 4.205 3.873 4.343 . 0 0 "[ . 1 . 2]" 2
108 1 26 SER HA 1 29 VAL H . . 3.830 3.617 3.383 3.835 0.005 6 0 "[ . 1 . 2]" 2
109 1 21 ALA H 1 22 PHE H . . 4.690 4.287 4.148 4.352 . 0 0 "[ . 1 . 2]" 2
110 1 29 VAL H 1 29 VAL HB . . 3.140 2.527 2.463 2.585 . 0 0 "[ . 1 . 2]" 2
111 1 20 LYS H 1 21 ALA H . . 4.620 4.575 4.542 4.605 . 0 0 "[ . 1 . 2]" 2
112 1 14 LYS HA 1 21 ALA H . . 4.760 4.452 4.391 4.531 . 0 0 "[ . 1 . 2]" 2
113 1 20 LYS HA 1 21 ALA H . . 2.990 2.552 2.504 2.624 . 0 0 "[ . 1 . 2]" 2
114 1 15 CYS HB2 1 21 ALA H . . 5.440 4.858 4.713 4.987 . 0 0 "[ . 1 . 2]" 2
115 1 20 LYS HB3 1 21 ALA H . . 3.530 2.160 2.014 2.267 . 0 0 "[ . 1 . 2]" 2
116 1 13 TYR H 1 13 TYR QD . . 3.340 3.005 2.638 3.171 . 0 0 "[ . 1 . 2]" 2
117 1 13 TYR H 1 13 TYR HB3 . . 3.850 3.704 3.636 3.781 . 0 0 "[ . 1 . 2]" 2
118 1 12 PRO HG3 1 13 TYR H . . 4.240 3.859 3.659 4.055 . 0 0 "[ . 1 . 2]" 2
119 1 12 PRO HG2 1 13 TYR H . . 3.850 2.340 2.071 2.603 . 0 0 "[ . 1 . 2]" 2
120 1 28 LEU HB3 1 29 VAL H . . 3.980 2.753 2.604 2.989 . 0 0 "[ . 1 . 2]" 2
121 1 13 TYR H 1 22 PHE H . . 4.300 3.985 3.628 4.200 . 0 0 "[ . 1 . 2]" 2
122 1 13 TYR H 1 14 LYS H . . 4.630 4.440 4.183 4.560 . 0 0 "[ . 1 . 2]" 2
123 1 13 TYR H 1 21 ALA HA . . 5.500 5.250 4.925 5.432 . 0 0 "[ . 1 . 2]" 2
124 1 11 LYS HA 1 13 TYR H . . 4.350 4.118 3.986 4.345 . 0 0 "[ . 1 . 2]" 2
125 1 13 TYR H 1 23 ARG HA . . 4.680 3.881 3.633 4.230 . 0 0 "[ . 1 . 2]" 2
126 1 12 PRO QD 1 13 TYR H . . 3.540 2.612 2.602 2.640 . 0 0 "[ . 1 . 2]" 2
127 1 13 TYR H 1 13 TYR HB2 . . 3.570 2.834 2.718 2.918 . 0 0 "[ . 1 . 2]" 2
128 1 11 LYS HB2 1 13 TYR H . . 4.590 3.738 3.101 4.239 . 0 0 "[ . 1 . 2]" 2
129 1 30 GLN H 1 32 HIS H . . 4.800 4.103 4.030 4.149 . 0 0 "[ . 1 . 2]" 2
130 1 27 HIS HA 1 30 GLN H . . 3.970 3.563 3.414 3.744 . 0 0 "[ . 1 . 2]" 2
131 1 30 GLN H 1 31 HIS HA . . 5.430 5.298 5.244 5.344 . 0 0 "[ . 1 . 2]" 2
132 1 28 LEU HA 1 30 GLN H . . 5.220 4.813 4.638 4.984 . 0 0 "[ . 1 . 2]" 2
133 1 30 GLN H 1 31 HIS HB3 . . 4.910 4.643 4.570 4.705 . 0 0 "[ . 1 . 2]" 2
134 1 29 VAL HB 1 30 GLN H . . 3.020 2.301 2.191 2.397 . 0 0 "[ . 1 . 2]" 2
135 1 30 GLN H 1 30 GLN HE21 . . 4.600 2.353 2.202 2.486 . 0 0 "[ . 1 . 2]" 2
136 1 14 LYS H 1 21 ALA HA . . 4.800 4.604 4.524 4.707 . 0 0 "[ . 1 . 2]" 2
137 1 14 LYS H 1 15 CYS H . . 4.500 4.243 4.120 4.434 . 0 0 "[ . 1 . 2]" 2
138 1 13 TYR QD 1 14 LYS H . . 4.490 4.395 4.293 4.465 . 0 0 "[ . 1 . 2]" 2
139 1 13 TYR HA 1 14 LYS H . . 2.950 2.189 2.136 2.265 . 0 0 "[ . 1 . 2]" 2
140 1 13 TYR HB3 1 14 LYS H . . 3.860 3.261 2.899 3.755 . 0 0 "[ . 1 . 2]" 2
141 1 13 TYR HB2 1 14 LYS H . . 4.120 3.860 3.579 4.162 0.042 12 0 "[ . 1 . 2]" 2
142 1 14 LYS H 1 14 LYS QB . . 3.060 2.664 2.428 2.805 . 0 0 "[ . 1 . 2]" 2
143 1 14 LYS H 1 28 LEU MD2 . . 3.630 3.391 3.114 3.638 0.008 7 0 "[ . 1 . 2]" 2
144 1 17 VAL H 1 20 LYS H . . 5.430 5.225 5.092 5.346 . 0 0 "[ . 1 . 2]" 2
145 1 15 CYS H 1 20 LYS H . . 4.270 3.308 3.243 3.397 . 0 0 "[ . 1 . 2]" 2
146 1 20 LYS H 1 31 HIS HD2 . . 5.460 5.373 5.172 5.462 0.002 15 0 "[ . 1 . 2]" 2
147 1 13 TYR QD 1 22 PHE H . . 4.710 4.439 4.252 4.643 . 0 0 "[ . 1 . 2]" 2
148 1 20 LYS H 1 22 PHE QE . . 4.750 4.358 4.146 4.538 . 0 0 "[ . 1 . 2]" 2
149 1 15 CYS HB3 1 20 LYS H . . 3.630 1.901 1.891 1.953 . 0 0 "[ . 1 . 2]" 2
150 1 15 CYS HB2 1 20 LYS H . . 3.780 2.531 2.452 2.622 . 0 0 "[ . 1 . 2]" 2
151 1 20 LYS H 1 20 LYS HB2 . . 3.230 2.185 2.164 2.224 . 0 0 "[ . 1 . 2]" 2
152 1 20 LYS H 1 20 LYS HD2 . . 5.240 4.846 4.491 5.243 0.003 19 0 "[ . 1 . 2]" 2
153 1 22 PHE H 1 22 PHE QD . . 3.610 2.452 2.190 2.717 . 0 0 "[ . 1 . 2]" 2
154 1 22 PHE H 1 22 PHE QE . . 4.870 4.477 4.241 4.650 . 0 0 "[ . 1 . 2]" 2
155 1 21 ALA HA 1 22 PHE H . . 3.340 2.219 2.153 2.283 . 0 0 "[ . 1 . 2]" 2
156 1 14 LYS HA 1 22 PHE H . . 3.930 3.534 3.382 3.673 . 0 0 "[ . 1 . 2]" 2
157 1 22 PHE H 1 22 PHE HB3 . . 4.140 3.958 3.888 3.993 . 0 0 "[ . 1 . 2]" 2
158 1 13 TYR HB2 1 22 PHE H . . 4.320 3.111 2.822 3.460 . 0 0 "[ . 1 . 2]" 2
159 1 22 PHE H 1 22 PHE HB2 . . 3.950 3.041 2.931 3.091 . 0 0 "[ . 1 . 2]" 2
160 1 11 LYS HB2 1 22 PHE H . . 4.250 3.316 2.462 4.011 . 0 0 "[ . 1 . 2]" 2
161 1 11 LYS QD 1 22 PHE H . . 4.480 3.323 2.625 4.471 . 0 0 "[ . 1 . 2]" 2
162 1 21 ALA MB 1 22 PHE H . . 3.370 2.850 2.718 3.101 . 0 0 "[ . 1 . 2]" 2
163 1 22 PHE H 1 28 LEU MD1 . . 5.400 4.245 3.950 4.489 . 0 0 "[ . 1 . 2]" 2
164 1 22 PHE H 1 28 LEU MD2 . . 5.220 3.927 3.668 4.199 . 0 0 "[ . 1 . 2]" 2
165 1 34 VAL H 1 35 HIS H . . 3.270 2.325 2.259 2.436 . 0 0 "[ . 1 . 2]" 2
166 1 35 HIS H 1 36 SER H . . 3.740 2.608 2.176 2.988 . 0 0 "[ . 1 . 2]" 2
167 1 35 HIS H 1 35 HIS HD2 . . 4.050 3.255 3.047 3.493 . 0 0 "[ . 1 . 2]" 2
168 1 33 SER HA 1 35 HIS H . . 4.030 3.717 3.458 3.967 . 0 0 "[ . 1 . 2]" 2
169 1 35 HIS H 1 35 HIS HB3 . . 3.750 3.641 3.595 3.698 . 0 0 "[ . 1 . 2]" 2
170 1 35 HIS H 1 35 HIS HB2 . . 3.450 2.702 2.604 2.778 . 0 0 "[ . 1 . 2]" 2
171 1 22 PHE H 1 28 LEU HB2 . . 5.030 3.875 3.623 4.008 . 0 0 "[ . 1 . 2]" 2
172 1 34 VAL MG1 1 35 HIS H . . 3.850 3.783 3.708 3.856 0.006 8 0 "[ . 1 . 2]" 2
173 1 34 VAL MG2 1 35 HIS H . . 3.670 2.213 1.885 2.547 . 0 0 "[ . 1 . 2]" 2
174 1 32 HIS H 1 32 HIS HD2 . . 4.870 3.815 3.351 3.942 . 0 0 "[ . 1 . 2]" 2
175 1 31 HIS H 1 32 HIS H . . 3.460 2.359 2.292 2.443 . 0 0 "[ . 1 . 2]" 2
176 1 30 GLN HE21 1 32 HIS H . . 5.500 5.351 5.269 5.431 . 0 0 "[ . 1 . 2]" 2
177 1 32 HIS H 1 33 SER QB . . 5.200 4.471 4.264 4.705 . 0 0 "[ . 1 . 2]" 2
178 1 32 HIS H 1 32 HIS HB2 . . 3.120 2.213 2.180 2.256 . 0 0 "[ . 1 . 2]" 2
179 1 32 HIS H 1 32 HIS HB3 . . 3.600 3.513 3.490 3.538 . 0 0 "[ . 1 . 2]" 2
180 1 31 HIS HB3 1 32 HIS H . . 4.070 3.184 3.131 3.259 . 0 0 "[ . 1 . 2]" 2
181 1 28 LEU MD1 1 32 HIS H . . 4.260 3.861 3.678 4.073 . 0 0 "[ . 1 . 2]" 2
182 1 18 CYS H 1 18 CYS HB2 . . 3.940 3.753 3.726 3.769 . 0 0 "[ . 1 . 2]" 2
183 1 18 CYS H 1 20 LYS H . . 4.230 3.615 3.550 3.683 . 0 0 "[ . 1 . 2]" 2
184 1 18 CYS H 1 19 GLY H . . 3.270 1.950 1.894 2.020 . 0 0 "[ . 1 . 2]" 2
185 1 18 CYS H 1 19 GLY HA2 . . 4.810 4.222 4.173 4.276 . 0 0 "[ . 1 . 2]" 2
186 1 18 CYS H 1 18 CYS HB3 . . 3.890 2.946 2.893 3.006 . 0 0 "[ . 1 . 2]" 2
187 1 17 VAL MG1 1 18 CYS H . . 4.060 3.962 3.892 4.059 . 0 0 "[ . 1 . 2]" 2
188 1 16 GLN H 1 28 LEU MD1 . . 4.980 4.945 4.791 4.988 0.008 3 0 "[ . 1 . 2]" 2
189 1 24 VAL H 1 25 SER H . . 4.730 4.517 4.495 4.538 . 0 0 "[ . 1 . 2]" 2
190 1 24 VAL HA 1 25 SER H . . 3.200 2.363 2.263 2.432 . 0 0 "[ . 1 . 2]" 2
191 1 25 SER H 1 25 SER HB3 . . 3.710 2.403 2.259 2.486 . 0 0 "[ . 1 . 2]" 2
192 1 25 SER H 1 25 SER HB2 . . 3.650 2.815 2.616 2.987 . 0 0 "[ . 1 . 2]" 2
193 1 24 VAL HB 1 25 SER H . . 4.070 2.542 2.353 2.818 . 0 0 "[ . 1 . 2]" 2
194 1 38 GLU H 1 39 ARG H . . 4.510 3.872 1.896 4.518 0.008 14 0 "[ . 1 . 2]" 2
195 1 38 GLU HA 1 39 ARG H . . 3.200 2.451 2.139 3.283 0.083 17 0 "[ . 1 . 2]" 2
196 1 39 ARG H 1 39 ARG HB2 . . 4.120 2.799 2.199 4.032 . 0 0 "[ . 1 . 2]" 2
197 1 39 ARG H 1 39 ARG HB3 . . 4.120 3.304 2.352 3.858 . 0 0 "[ . 1 . 2]" 2
198 1 38 GLU HG2 1 39 ARG H . . 5.400 4.266 3.082 5.436 0.036 17 0 "[ . 1 . 2]" 2
199 1 38 GLU HG3 1 39 ARG H . . 5.400 4.102 2.153 5.416 0.016 10 0 "[ . 1 . 2]" 2
200 1 33 SER HA 1 36 SER H . . 4.500 3.733 3.156 4.483 . 0 0 "[ . 1 . 2]" 2
201 1 36 SER H 1 36 SER HB3 . . 3.860 3.137 2.426 3.878 0.018 15 0 "[ . 1 . 2]" 2
202 1 35 HIS HB3 1 36 SER H . . 4.570 3.961 3.525 4.568 . 0 0 "[ . 1 . 2]" 2
203 1 34 VAL H 1 36 SER H . . 4.630 4.218 3.781 4.444 . 0 0 "[ . 1 . 2]" 2
204 1 35 HIS HB2 1 36 SER H . . 4.480 2.923 2.174 4.122 . 0 0 "[ . 1 . 2]" 2
205 1 36 SER H 1 36 SER HB2 . . 3.860 3.037 2.234 3.765 . 0 0 "[ . 1 . 2]" 2
206 1 10 GLU H 1 10 GLU HB3 . . 3.690 3.196 2.371 3.662 . 0 0 "[ . 1 . 2]" 2
207 1 8 THR H 1 9 GLY H . . 4.710 2.805 2.297 3.906 . 0 0 "[ . 1 . 2]" 2
208 1 27 HIS H 1 27 HIS HD2 . . 3.890 2.459 2.152 2.782 . 0 0 "[ . 1 . 2]" 2
209 1 28 LEU HG 1 29 VAL H . . 4.310 3.385 3.217 3.614 . 0 0 "[ . 1 . 2]" 2
210 1 22 PHE QD 1 29 VAL H . . 5.500 5.515 5.503 5.542 0.042 14 0 "[ . 1 . 2]" 2
211 1 38 GLU H 1 38 GLU HB3 . . 3.840 3.182 2.428 3.886 0.046 12 0 "[ . 1 . 2]" 2
212 1 27 HIS HA 1 27 HIS HD2 . . 3.680 2.591 2.452 2.746 . 0 0 "[ . 1 . 2]" 2
213 1 26 SER QB 1 27 HIS HD2 . . 4.870 3.050 2.526 3.491 . 0 0 "[ . 1 . 2]" 2
214 1 15 CYS H 1 21 ALA MB . . 4.680 4.230 4.122 4.364 . 0 0 "[ . 1 . 2]" 2
215 1 15 CYS H 1 28 LEU MD1 . . 3.830 3.301 3.162 3.487 . 0 0 "[ . 1 . 2]" 2
216 1 18 CYS H 1 19 GLY HA3 . . 4.810 4.653 4.610 4.701 . 0 0 "[ . 1 . 2]" 2
217 1 21 ALA H 1 21 ALA MB . . 3.240 2.710 2.642 2.762 . 0 0 "[ . 1 . 2]" 2
218 1 13 TYR H 1 21 ALA MB . . 5.170 4.731 4.415 5.003 . 0 0 "[ . 1 . 2]" 2
219 1 28 LEU MD1 1 29 VAL H . . 4.750 4.151 4.028 4.250 . 0 0 "[ . 1 . 2]" 2
220 1 21 ALA MB 1 22 PHE QD . . 4.580 4.150 3.935 4.356 . 0 0 "[ . 1 . 2]" 2
221 1 22 PHE QD 1 28 LEU MD1 . . 3.340 2.194 1.976 2.490 . 0 0 "[ . 1 . 2]" 2
222 1 28 LEU MD1 1 31 HIS HD2 . . 3.410 2.125 1.978 2.210 . 0 0 "[ . 1 . 2]" 2
223 1 22 PHE QE 1 28 LEU MD1 . . 3.250 2.099 1.877 2.267 . 0 0 "[ . 1 . 2]" 2
224 1 22 PHE HZ 1 28 LEU MD1 . . 4.500 3.616 3.307 3.978 . 0 0 "[ . 1 . 2]" 2
225 1 14 LYS HA 1 21 ALA MB . . 3.540 3.145 3.042 3.266 . 0 0 "[ . 1 . 2]" 2
226 1 14 LYS HA 1 28 LEU MD1 . . 4.220 3.852 3.551 4.046 . 0 0 "[ . 1 . 2]" 2
227 1 15 CYS HA 1 28 LEU MD1 . . 3.360 3.026 2.803 3.158 . 0 0 "[ . 1 . 2]" 2
228 1 11 LYS HA 1 21 ALA MB . . 4.970 4.693 4.351 4.935 . 0 0 "[ . 1 . 2]" 2
229 1 28 LEU MD1 1 32 HIS HA . . 4.250 4.197 4.004 4.257 0.007 14 0 "[ . 1 . 2]" 2
230 1 26 SER HA 1 29 VAL MG2 . . 3.260 2.466 2.237 2.762 . 0 0 "[ . 1 . 2]" 2
231 1 20 LYS HA 1 21 ALA MB . . 3.950 3.799 3.742 3.835 . 0 0 "[ . 1 . 2]" 2
232 1 29 VAL HA 1 29 VAL MG2 . . 2.890 2.302 2.236 2.407 . 0 0 "[ . 1 . 2]" 2
233 1 28 LEU HA 1 28 LEU MD1 . . 3.010 2.255 2.061 2.458 . 0 0 "[ . 1 . 2]" 2
234 1 14 LYS QE 1 21 ALA MB . . 4.610 4.034 2.820 4.598 . 0 0 "[ . 1 . 2]" 2
235 1 15 CYS HB2 1 28 LEU MD1 . . 3.340 3.130 3.046 3.225 . 0 0 "[ . 1 . 2]" 2
236 1 22 PHE HB2 1 28 LEU MD1 . . 4.370 3.802 3.689 3.904 . 0 0 "[ . 1 . 2]" 2
237 1 28 LEU HB2 1 28 LEU MD1 . . 3.500 2.368 2.264 2.457 . 0 0 "[ . 1 . 2]" 2
238 1 14 LYS QD 1 19 GLY HA2 . . 4.790 3.639 3.551 3.827 . 0 0 "[ . 1 . 2]" 2
239 1 20 LYS HB2 1 28 LEU MD1 . . 4.200 3.979 3.771 4.083 . 0 0 "[ . 1 . 2]" 2
240 1 11 LYS HB2 1 21 ALA MB . . 3.000 2.079 1.963 2.243 . 0 0 "[ . 1 . 2]" 2
241 1 28 LEU HB3 1 29 VAL MG2 . . 3.760 3.524 3.409 3.693 . 0 0 "[ . 1 . 2]" 2
242 1 28 LEU HB3 1 28 LEU MD1 . . 3.260 3.189 3.178 3.196 . 0 0 "[ . 1 . 2]" 2
243 1 20 LYS HB3 1 21 ALA MB . . 4.470 4.365 4.300 4.415 . 0 0 "[ . 1 . 2]" 2
244 1 29 VAL H 1 29 VAL MG2 . . 2.870 2.283 2.105 2.419 . 0 0 "[ . 1 . 2]" 2
245 1 28 LEU H 1 29 VAL MG2 . . 4.730 4.336 4.244 4.461 . 0 0 "[ . 1 . 2]" 2
246 1 29 VAL MG2 1 30 GLN HE21 . . 4.940 4.019 3.907 4.213 . 0 0 "[ . 1 . 2]" 2
247 1 18 CYS HA 1 35 HIS HE1 . . 5.020 4.948 4.784 5.022 0.002 9 0 "[ . 1 . 2]" 2
248 1 18 CYS HB2 1 35 HIS HE1 . . 3.610 3.484 3.373 3.616 0.006 16 0 "[ . 1 . 2]" 2
249 1 18 CYS HB3 1 35 HIS HE1 . . 3.470 2.477 2.290 2.564 . 0 0 "[ . 1 . 2]" 2
250 1 29 VAL MG2 1 30 GLN HG2 . . 4.990 4.782 4.687 4.837 . 0 0 "[ . 1 . 2]" 2
251 1 17 VAL HB 1 35 HIS HE1 . . 5.500 5.371 5.079 5.504 0.004 9 0 "[ . 1 . 2]" 2
252 1 34 VAL MG1 1 35 HIS HE1 . . 5.150 4.997 4.756 5.156 0.006 19 0 "[ . 1 . 2]" 2
253 1 34 VAL MG2 1 35 HIS HE1 . . 4.390 2.819 2.603 2.964 . 0 0 "[ . 1 . 2]" 2
254 1 24 VAL MG2 1 25 SER H . . 3.850 3.234 2.975 3.410 . 0 0 "[ . 1 . 2]" 2
255 1 7 GLY QA 1 9 GLY H . . 4.000 3.359 2.820 3.957 . 0 0 "[ . 1 . 2]" 2
256 1 24 VAL H 1 24 VAL MG2 . . 3.870 2.314 2.151 2.407 . 0 0 "[ . 1 . 2]" 2
257 1 24 VAL MG2 1 27 HIS H . . 3.700 1.840 1.769 1.940 . 0 0 "[ . 1 . 2]" 2
258 1 24 VAL MG2 1 27 HIS HD2 . . 3.910 2.977 2.802 3.151 . 0 0 "[ . 1 . 2]" 2
259 1 24 VAL HA 1 24 VAL MG2 . . 3.280 3.179 3.164 3.188 . 0 0 "[ . 1 . 2]" 2
260 1 24 VAL MG2 1 27 HIS HB3 . . 4.000 3.203 3.118 3.353 . 0 0 "[ . 1 . 2]" 2
261 1 24 VAL MG2 1 25 SER HA . . 4.650 3.933 3.736 4.134 . 0 0 "[ . 1 . 2]" 2
262 1 24 VAL MG2 1 28 LEU HB2 . . 4.540 4.417 4.276 4.545 0.005 4 0 "[ . 1 . 2]" 2
263 1 23 ARG HG3 1 24 VAL MG2 . . 4.170 3.483 3.217 3.787 . 0 0 "[ . 1 . 2]" 2
264 1 7 GLY QA 1 8 THR MG . . 4.090 3.626 3.400 3.864 . 0 0 "[ . 1 . 2]" 2
265 1 20 LYS HB2 1 31 HIS HE1 . . 4.020 3.571 3.255 3.863 . 0 0 "[ . 1 . 2]" 2
266 1 31 HIS HE1 1 34 VAL MG1 . . 4.360 4.135 3.889 4.361 0.001 3 0 "[ . 1 . 2]" 2
267 1 31 HIS HE1 1 34 VAL MG2 . . 3.650 2.667 2.513 2.810 . 0 0 "[ . 1 . 2]" 2
268 1 24 VAL MG2 1 27 HIS HB2 . . 4.010 1.856 1.825 1.931 . 0 0 "[ . 1 . 2]" 2
269 1 16 GLN HB3 1 17 VAL MG1 . . 4.700 4.443 4.296 4.573 . 0 0 "[ . 1 . 2]" 2
270 1 17 VAL H 1 17 VAL MG1 . . 3.040 2.434 2.262 2.679 . 0 0 "[ . 1 . 2]" 2
271 1 17 VAL HA 1 17 VAL MG1 . . 2.880 2.341 2.288 2.376 . 0 0 "[ . 1 . 2]" 2
272 1 16 GLN HB2 1 17 VAL MG1 . . 4.700 3.251 3.188 3.332 . 0 0 "[ . 1 . 2]" 2
273 1 29 VAL MG1 1 30 GLN H . . 3.230 3.139 3.017 3.216 . 0 0 "[ . 1 . 2]" 2
274 1 29 VAL MG1 1 32 HIS HD2 . . 4.510 3.717 3.508 4.004 . 0 0 "[ . 1 . 2]" 2
275 1 29 VAL MG1 1 30 GLN HE21 . . 4.590 2.074 1.886 2.297 . 0 0 "[ . 1 . 2]" 2
276 1 29 VAL MG1 1 30 GLN HA . . 3.430 3.289 3.133 3.432 0.002 9 0 "[ . 1 . 2]" 2
277 1 42 GLY HA3 1 43 PRO QD . . 3.500 2.761 1.906 3.465 . 0 0 "[ . 1 . 2]" 2
278 1 29 VAL HA 1 29 VAL MG1 . . 3.020 2.380 2.294 2.461 . 0 0 "[ . 1 . 2]" 2
279 1 17 VAL MG1 1 18 CYS HB3 . . 5.500 5.290 5.259 5.328 . 0 0 "[ . 1 . 2]" 2
280 1 29 VAL MG1 1 30 GLN HG2 . . 4.220 3.967 3.788 4.121 . 0 0 "[ . 1 . 2]" 2
281 1 28 LEU MD1 1 32 HIS HE1 . . 3.600 2.885 2.622 3.251 . 0 0 "[ . 1 . 2]" 2
282 1 24 VAL MG2 1 27 HIS HE1 . . 4.510 3.952 3.331 4.476 . 0 0 "[ . 1 . 2]" 2
283 1 17 VAL MG2 1 18 CYS H . . 3.590 1.862 1.837 1.909 . 0 0 "[ . 1 . 2]" 2
284 1 17 VAL MG2 1 35 HIS HE1 . . 3.910 3.279 2.998 3.634 . 0 0 "[ . 1 . 2]" 2
285 1 17 VAL MG2 1 32 HIS HE1 . . 5.070 4.236 3.948 4.573 . 0 0 "[ . 1 . 2]" 2
286 1 17 VAL MG2 1 35 HIS HD2 . . 4.100 2.206 2.030 2.305 . 0 0 "[ . 1 . 2]" 2
287 1 17 VAL MG2 1 18 CYS HA . . 3.950 3.801 3.686 3.886 . 0 0 "[ . 1 . 2]" 2
288 1 15 CYS HB3 1 17 VAL MG2 . . 4.070 3.432 3.301 3.567 . 0 0 "[ . 1 . 2]" 2
289 1 17 VAL MG2 1 35 HIS HB2 . . 4.250 3.483 3.134 3.705 . 0 0 "[ . 1 . 2]" 2
290 1 17 VAL MG2 1 18 CYS HB3 . . 3.850 2.794 2.691 2.933 . 0 0 "[ . 1 . 2]" 2
291 1 22 PHE HB2 1 28 LEU HB3 . . 4.630 3.124 2.953 3.254 . 0 0 "[ . 1 . 2]" 2
292 1 34 VAL H 1 34 VAL MG1 . . 3.100 2.049 1.914 2.152 . 0 0 "[ . 1 . 2]" 2
293 1 22 PHE HB2 1 28 LEU H . . 4.540 2.830 2.698 2.956 . 0 0 "[ . 1 . 2]" 2
294 1 31 HIS HA 1 34 VAL MG1 . . 3.710 1.836 1.784 1.907 . 0 0 "[ . 1 . 2]" 2
295 1 34 VAL HA 1 34 VAL MG1 . . 2.910 2.544 2.497 2.571 . 0 0 "[ . 1 . 2]" 2
296 1 22 PHE HB2 1 28 LEU HA . . 4.630 3.467 3.372 3.598 . 0 0 "[ . 1 . 2]" 2
297 1 22 PHE HB3 1 28 LEU HB3 . . 4.780 4.433 4.262 4.525 . 0 0 "[ . 1 . 2]" 2
298 1 22 PHE HB2 1 28 LEU MD2 . . 5.240 3.538 3.433 3.636 . 0 0 "[ . 1 . 2]" 2
299 1 34 VAL H 1 34 VAL MG2 . . 3.020 2.293 2.175 2.420 . 0 0 "[ . 1 . 2]" 2
300 1 33 SER H 1 34 VAL MG2 . . 4.530 3.980 3.862 4.117 . 0 0 "[ . 1 . 2]" 2
301 1 24 VAL H 1 24 VAL MG1 . . 3.370 2.527 2.271 2.720 . 0 0 "[ . 1 . 2]" 2
302 1 24 VAL MG1 1 28 LEU H . . 5.300 5.333 5.299 5.361 0.061 14 0 "[ . 1 . 2]" 2
303 1 34 VAL MG2 1 35 HIS HD2 . . 4.350 3.451 3.241 3.655 . 0 0 "[ . 1 . 2]" 2
304 1 34 VAL MG2 1 35 HIS HA . . 4.460 3.216 3.025 3.374 . 0 0 "[ . 1 . 2]" 2
305 1 39 ARG HA 1 39 ARG QD . . 4.360 3.740 2.249 4.393 0.033 15 0 "[ . 1 . 2]" 2
306 1 24 VAL HA 1 24 VAL MG1 . . 3.340 2.454 2.341 2.537 . 0 0 "[ . 1 . 2]" 2
307 1 31 HIS HA 1 34 VAL MG2 . . 3.650 3.404 3.164 3.642 . 0 0 "[ . 1 . 2]" 2
308 1 34 VAL HA 1 34 VAL MG2 . . 3.310 3.179 3.167 3.187 . 0 0 "[ . 1 . 2]" 2
309 1 31 HIS HB2 1 34 VAL MG2 . . 4.720 4.099 3.900 4.339 . 0 0 "[ . 1 . 2]" 2
310 1 34 VAL MG2 1 35 HIS HB3 . . 5.040 4.171 4.059 4.250 . 0 0 "[ . 1 . 2]" 2
311 1 31 HIS HB2 1 34 VAL MG1 . . 4.580 3.100 3.024 3.202 . 0 0 "[ . 1 . 2]" 2
312 1 24 VAL MG1 1 27 HIS HB2 . . 4.260 4.065 3.959 4.221 . 0 0 "[ . 1 . 2]" 2
313 1 30 GLN QB 1 34 VAL MG1 . . 4.620 4.420 4.294 4.557 . 0 0 "[ . 1 . 2]" 2
314 1 24 VAL MG1 1 25 SER H . . 4.200 3.886 3.758 4.041 . 0 0 "[ . 1 . 2]" 2
315 1 23 ARG HA 1 23 ARG HD3 . . 5.500 4.987 4.561 5.514 0.014 17 0 "[ . 1 . 2]" 2
316 1 23 ARG HA 1 23 ARG HD2 . . 5.500 5.008 4.515 5.498 . 0 0 "[ . 1 . 2]" 2
317 1 29 VAL HA 1 32 HIS H . . 4.230 3.274 3.169 3.409 . 0 0 "[ . 1 . 2]" 2
318 1 29 VAL HA 1 32 HIS HD2 . . 3.980 2.091 1.999 2.203 . 0 0 "[ . 1 . 2]" 2
319 1 29 VAL HA 1 30 GLN HE21 . . 4.660 4.437 4.351 4.561 . 0 0 "[ . 1 . 2]" 2
320 1 29 VAL HA 1 30 GLN HA . . 5.030 4.803 4.779 4.825 . 0 0 "[ . 1 . 2]" 2
321 1 29 VAL HA 1 32 HIS HB3 . . 4.380 4.265 3.989 4.380 0.000 5 0 "[ . 1 . 2]" 2
322 1 28 LEU HG 1 29 VAL HA . . 4.430 3.337 3.188 3.447 . 0 0 "[ . 1 . 2]" 2
323 1 11 LYS HA 1 11 LYS QE . . 5.380 4.383 1.975 5.024 . 0 0 "[ . 1 . 2]" 2
324 1 11 LYS QE 1 23 ARG HA . . 5.500 4.318 3.723 5.161 . 0 0 "[ . 1 . 2]" 2
325 1 11 LYS QE 1 23 ARG HB3 . . 4.440 3.193 2.526 4.373 . 0 0 "[ . 1 . 2]" 2
326 1 11 LYS QE 1 23 ARG HG2 . . 4.090 3.150 2.258 3.961 . 0 0 "[ . 1 . 2]" 2
327 1 11 LYS QE 1 11 LYS HG3 . . 3.600 2.601 2.156 3.444 . 0 0 "[ . 1 . 2]" 2
328 1 11 LYS QE 1 11 LYS HG2 . . 3.600 2.470 2.171 3.041 . 0 0 "[ . 1 . 2]" 2
329 1 20 LYS HE2 1 22 PHE QE . . 4.930 4.099 2.656 4.940 0.010 14 0 "[ . 1 . 2]" 2
330 1 20 LYS HE2 1 22 PHE HZ . . 4.870 3.619 2.055 4.569 . 0 0 "[ . 1 . 2]" 2
331 1 20 LYS HE3 1 22 PHE HZ . . 4.870 3.714 2.293 4.843 . 0 0 "[ . 1 . 2]" 2
332 1 14 LYS QE 1 19 GLY HA2 . . 3.750 2.559 2.005 3.451 . 0 0 "[ . 1 . 2]" 2
333 1 14 LYS QE 1 19 GLY HA3 . . 3.750 2.912 2.468 3.647 . 0 0 "[ . 1 . 2]" 2
334 1 14 LYS QE 1 14 LYS HG3 . . 3.010 2.299 2.094 2.570 . 0 0 "[ . 1 . 2]" 2
335 1 20 LYS HB3 1 20 LYS HE3 . . 5.040 3.701 2.289 4.480 . 0 0 "[ . 1 . 2]" 2
336 1 20 LYS HE2 1 20 LYS HG3 . . 4.200 2.545 2.121 3.895 . 0 0 "[ . 1 . 2]" 2
337 1 20 LYS HE3 1 20 LYS HG3 . . 4.200 3.063 2.339 3.593 . 0 0 "[ . 1 . 2]" 2
338 1 17 VAL HA 1 17 VAL MG2 . . 3.220 3.191 3.185 3.198 . 0 0 "[ . 1 . 2]" 2
339 1 34 VAL HA 1 34 VAL HB . . 3.000 2.358 2.343 2.390 . 0 0 "[ . 1 . 2]" 2
340 1 28 LEU HB2 1 29 VAL H . . 4.310 4.052 3.963 4.190 . 0 0 "[ . 1 . 2]" 2
341 1 22 PHE QD 1 28 LEU HB3 . . 4.710 3.895 3.712 4.190 . 0 0 "[ . 1 . 2]" 2
342 1 25 SER HA 1 28 LEU HB2 . . 4.330 3.959 3.758 4.141 . 0 0 "[ . 1 . 2]" 2
343 1 25 SER HA 1 28 LEU HB3 . . 4.410 2.665 2.557 2.773 . 0 0 "[ . 1 . 2]" 2
344 1 33 SER QB 1 34 VAL H . . 3.990 3.596 3.412 3.941 . 0 0 "[ . 1 . 2]" 2
345 1 13 TYR QD 1 25 SER H . . 3.940 3.771 3.469 3.946 0.006 10 0 "[ . 1 . 2]" 2
346 1 13 TYR QD 1 24 VAL H . . 4.230 3.869 3.496 4.168 . 0 0 "[ . 1 . 2]" 2
347 1 13 TYR HA 1 13 TYR QD . . 3.460 2.374 2.238 2.436 . 0 0 "[ . 1 . 2]" 2
348 1 13 TYR QD 1 24 VAL HA . . 3.980 3.663 3.460 3.822 . 0 0 "[ . 1 . 2]" 2
349 1 12 PRO QD 1 13 TYR QD . . 4.290 4.280 4.210 4.314 0.024 11 0 "[ . 1 . 2]" 2
350 1 13 TYR QD 1 22 PHE HB3 . . 4.930 4.844 4.612 4.937 0.007 17 0 "[ . 1 . 2]" 2
351 1 13 TYR QD 1 25 SER HB3 . . 5.080 4.870 4.606 5.069 . 0 0 "[ . 1 . 2]" 2
352 1 13 TYR QD 1 25 SER HB2 . . 4.360 3.764 3.548 3.989 . 0 0 "[ . 1 . 2]" 2
353 1 13 TYR QD 1 25 SER HA . . 3.860 2.601 2.255 2.909 . 0 0 "[ . 1 . 2]" 2
354 1 13 TYR QD 1 22 PHE HB2 . . 4.370 3.512 3.285 3.671 . 0 0 "[ . 1 . 2]" 2
355 1 13 TYR QD 1 28 LEU HB2 . . 4.160 3.871 3.665 4.074 . 0 0 "[ . 1 . 2]" 2
356 1 12 PRO HG3 1 13 TYR QD . . 4.590 4.403 4.188 4.541 . 0 0 "[ . 1 . 2]" 2
357 1 12 PRO HG2 1 13 TYR QD . . 3.870 3.129 2.906 3.267 . 0 0 "[ . 1 . 2]" 2
358 1 13 TYR QD 1 28 LEU HB3 . . 4.370 3.712 3.484 4.014 . 0 0 "[ . 1 . 2]" 2
359 1 13 TYR QD 1 28 LEU MD2 . . 3.510 3.028 2.863 3.308 . 0 0 "[ . 1 . 2]" 2
360 1 14 LYS HA 1 22 PHE QD . . 4.780 3.667 3.423 3.973 . 0 0 "[ . 1 . 2]" 2
361 1 22 PHE QD 1 23 ARG H . . 5.010 4.824 4.646 4.910 . 0 0 "[ . 1 . 2]" 2
362 1 13 TYR QE 1 25 SER HB2 . . 4.050 2.910 2.490 3.257 . 0 0 "[ . 1 . 2]" 2
363 1 21 ALA HA 1 22 PHE QD . . 4.280 2.843 2.577 3.108 . 0 0 "[ . 1 . 2]" 2
364 1 22 PHE QD 1 27 HIS HB3 . . 3.850 2.561 2.272 2.787 . 0 0 "[ . 1 . 2]" 2
365 1 22 PHE QD 1 27 HIS HB2 . . 4.010 3.285 3.091 3.413 . 0 0 "[ . 1 . 2]" 2
366 1 13 TYR HB2 1 22 PHE QD . . 4.170 3.685 3.451 3.969 . 0 0 "[ . 1 . 2]" 2
367 1 22 PHE QD 1 28 LEU HB2 . . 4.340 2.239 2.016 2.602 . 0 0 "[ . 1 . 2]" 2
368 1 26 SER QB 1 29 VAL HB . . 4.650 4.518 4.354 4.659 0.009 19 0 "[ . 1 . 2]" 2
369 1 20 LYS HB2 1 22 PHE QD . . 4.840 4.773 4.574 4.848 0.008 8 0 "[ . 1 . 2]" 2
370 1 22 PHE QD 1 28 LEU HG . . 4.900 4.464 4.220 4.709 . 0 0 "[ . 1 . 2]" 2
371 1 8 THR HA 1 8 THR MG . . 3.320 3.200 3.182 3.207 . 0 0 "[ . 1 . 2]" 2
372 1 25 SER HB2 1 29 VAL MG2 . . 4.990 4.570 4.137 4.782 . 0 0 "[ . 1 . 2]" 2
373 1 26 SER QB 1 29 VAL MG2 . . 4.260 4.175 4.035 4.264 0.004 17 0 "[ . 1 . 2]" 2
374 1 24 VAL MG2 1 26 SER QB . . 4.710 3.141 2.404 3.983 . 0 0 "[ . 1 . 2]" 2
375 1 24 VAL HA 1 25 SER HB3 . . 4.770 4.681 4.542 4.776 0.006 14 0 "[ . 1 . 2]" 2
376 1 24 VAL HA 1 25 SER HB2 . . 4.860 4.591 4.487 4.785 . 0 0 "[ . 1 . 2]" 2
377 1 25 SER HB3 1 29 VAL MG2 . . 4.320 4.146 3.919 4.316 . 0 0 "[ . 1 . 2]" 2
378 1 24 VAL MG2 1 25 SER HB2 . . 5.500 5.234 5.020 5.406 . 0 0 "[ . 1 . 2]" 2
379 1 24 VAL HA 1 25 SER HA . . 4.420 4.331 4.317 4.354 . 0 0 "[ . 1 . 2]" 2
380 1 26 SER HA 1 29 VAL HB . . 3.520 2.947 2.646 3.265 . 0 0 "[ . 1 . 2]" 2
381 1 22 PHE QE 1 28 LEU HA . . 4.430 3.259 3.178 3.336 . 0 0 "[ . 1 . 2]" 2
382 1 22 PHE QE 1 31 HIS HB2 . . 4.620 2.913 2.603 3.377 . 0 0 "[ . 1 . 2]" 2
383 1 15 CYS HB2 1 22 PHE QE . . 4.070 2.813 2.604 3.114 . 0 0 "[ . 1 . 2]" 2
384 1 20 LYS HE3 1 22 PHE QE . . 4.930 3.924 2.554 4.984 0.054 19 0 "[ . 1 . 2]" 2
385 1 32 HIS HA 1 35 HIS HD2 . . 3.540 3.049 2.808 3.150 . 0 0 "[ . 1 . 2]" 2
386 1 13 TYR HA 1 14 LYS QB . . 4.220 4.016 3.920 4.147 . 0 0 "[ . 1 . 2]" 2
387 1 14 LYS QB 1 14 LYS QE . . 4.140 3.390 2.322 3.659 . 0 0 "[ . 1 . 2]" 2
388 1 30 GLN QB 1 31 HIS HA . . 4.310 3.985 3.951 4.014 . 0 0 "[ . 1 . 2]" 2
389 1 30 GLN HA 1 32 HIS H . . 4.570 4.047 3.965 4.128 . 0 0 "[ . 1 . 2]" 2
390 1 11 LYS QD 1 23 ARG HA . . 4.750 3.238 2.001 3.984 . 0 0 "[ . 1 . 2]" 2
391 1 11 LYS HB3 1 23 ARG HA . . 4.520 2.474 2.237 2.836 . 0 0 "[ . 1 . 2]" 2
392 1 20 LYS HA 1 21 ALA HA . . 4.720 4.551 4.525 4.587 . 0 0 "[ . 1 . 2]" 2
393 1 14 LYS QE 1 20 LYS HA . . 5.190 4.882 4.690 5.181 . 0 0 "[ . 1 . 2]" 2
394 1 15 CYS HB2 1 20 LYS HA . . 5.500 4.412 4.303 4.499 . 0 0 "[ . 1 . 2]" 2
395 1 17 VAL HB 1 18 CYS HA . . 4.660 4.520 4.436 4.590 . 0 0 "[ . 1 . 2]" 2
396 1 17 VAL HA 1 18 CYS HA . . 4.960 4.555 4.547 4.564 . 0 0 "[ . 1 . 2]" 2
397 1 24 VAL H 1 24 VAL HB . . 3.860 3.769 3.729 3.797 . 0 0 "[ . 1 . 2]" 2
398 1 22 PHE HZ 1 31 HIS HB2 . . 4.270 3.069 2.904 3.364 . 0 0 "[ . 1 . 2]" 2
399 1 24 VAL HB 1 25 SER HB3 . . 4.910 4.637 4.478 4.760 . 0 0 "[ . 1 . 2]" 2
400 1 20 LYS HB2 1 22 PHE HZ . . 4.570 3.096 2.769 3.488 . 0 0 "[ . 1 . 2]" 2
401 1 20 LYS HB3 1 22 PHE HZ . . 4.250 2.421 2.206 2.588 . 0 0 "[ . 1 . 2]" 2
402 1 16 GLN H 1 16 GLN QG . . 4.230 2.699 2.545 2.851 . 0 0 "[ . 1 . 2]" 2
403 1 16 GLN QG 1 17 VAL H . . 4.500 3.930 3.859 4.027 . 0 0 "[ . 1 . 2]" 2
404 1 21 ALA H 1 22 PHE HZ . . 5.470 4.125 4.000 4.302 . 0 0 "[ . 1 . 2]" 2
405 1 16 GLN QG 1 17 VAL MG1 . . 4.630 4.582 4.502 4.637 0.007 9 0 "[ . 1 . 2]" 2
406 1 16 GLN HA 1 19 GLY H . . 4.760 3.919 3.782 4.022 . 0 0 "[ . 1 . 2]" 2
407 1 28 LEU HA 1 31 HIS H . . 4.460 3.562 3.422 3.651 . 0 0 "[ . 1 . 2]" 2
408 1 22 PHE QD 1 28 LEU HA . . 4.190 3.059 2.939 3.146 . 0 0 "[ . 1 . 2]" 2
409 1 15 CYS HA 1 16 GLN QG . . 4.690 3.178 3.066 3.286 . 0 0 "[ . 1 . 2]" 2
410 1 28 LEU HA 1 31 HIS HA . . 5.500 5.424 5.284 5.512 0.012 14 0 "[ . 1 . 2]" 2
411 1 16 GLN HA 1 17 VAL HA . . 4.810 4.731 4.681 4.766 . 0 0 "[ . 1 . 2]" 2
412 1 28 LEU HA 1 31 HIS HB3 . . 3.880 2.511 2.387 2.611 . 0 0 "[ . 1 . 2]" 2
413 1 16 GLN HA 1 16 GLN QG . . 3.340 2.961 2.864 3.076 . 0 0 "[ . 1 . 2]" 2
414 1 14 LYS QD 1 16 GLN HA . . 4.720 4.496 4.396 4.749 0.029 4 0 "[ . 1 . 2]" 2
415 1 28 LEU HA 1 28 LEU HG . . 4.160 3.436 3.362 3.486 . 0 0 "[ . 1 . 2]" 2
416 1 14 LYS HG2 1 16 GLN HA . . 4.790 4.502 4.161 4.576 . 0 0 "[ . 1 . 2]" 2
417 1 16 GLN HA 1 17 VAL MG1 . . 5.050 4.988 4.925 5.047 . 0 0 "[ . 1 . 2]" 2
418 1 30 GLN H 1 30 GLN HG3 . . 3.840 3.675 3.618 3.718 . 0 0 "[ . 1 . 2]" 2
419 1 30 GLN H 1 30 GLN HG2 . . 3.540 2.179 2.112 2.239 . 0 0 "[ . 1 . 2]" 2
420 1 27 HIS HA 1 30 GLN HG3 . . 4.650 4.027 3.805 4.236 . 0 0 "[ . 1 . 2]" 2
421 1 27 HIS HA 1 30 GLN HG2 . . 4.470 3.351 3.041 3.618 . 0 0 "[ . 1 . 2]" 2
422 1 30 GLN HA 1 30 GLN HG3 . . 3.930 3.694 3.668 3.727 . 0 0 "[ . 1 . 2]" 2
423 1 30 GLN HA 1 30 GLN HG2 . . 3.520 3.240 3.173 3.278 . 0 0 "[ . 1 . 2]" 2
424 1 29 VAL MG1 1 30 GLN HG3 . . 5.340 5.158 5.029 5.274 . 0 0 "[ . 1 . 2]" 2
425 1 20 LYS H 1 20 LYS HB3 . . 3.670 3.492 3.473 3.517 . 0 0 "[ . 1 . 2]" 2
426 1 20 LYS HB2 1 21 ALA H . . 3.960 3.636 3.524 3.718 . 0 0 "[ . 1 . 2]" 2
427 1 20 LYS HB2 1 22 PHE QE . . 4.440 2.608 2.469 2.727 . 0 0 "[ . 1 . 2]" 2
428 1 20 LYS HB3 1 20 LYS HE2 . . 5.040 3.796 2.372 4.573 . 0 0 "[ . 1 . 2]" 2
429 1 15 CYS HB2 1 20 LYS HB2 . . 4.040 2.125 1.997 2.216 . 0 0 "[ . 1 . 2]" 2
430 1 11 LYS HB3 1 11 LYS QE . . 4.650 4.078 3.376 4.291 . 0 0 "[ . 1 . 2]" 2
431 1 34 VAL H 1 35 HIS HD2 . . 4.640 4.291 3.875 4.637 . 0 0 "[ . 1 . 2]" 2
432 1 35 HIS HA 1 35 HIS HD2 . . 4.800 4.782 4.726 4.810 0.010 19 0 "[ . 1 . 2]" 2
433 1 10 GLU HA 1 11 LYS HA . . 4.600 4.373 4.332 4.519 . 0 0 "[ . 1 . 2]" 2
434 1 15 CYS HB3 1 20 LYS HB3 . . 4.610 4.519 4.400 4.594 . 0 0 "[ . 1 . 2]" 2
435 1 35 HIS HB3 1 35 HIS HD2 . . 3.970 3.707 3.617 3.778 . 0 0 "[ . 1 . 2]" 2
436 1 35 HIS HB2 1 35 HIS HD2 . . 3.760 2.694 2.689 2.707 . 0 0 "[ . 1 . 2]" 2
437 1 10 GLU HA 1 10 GLU QG . . 3.430 2.852 2.289 3.463 0.033 19 0 "[ . 1 . 2]" 2
438 1 17 VAL HB 1 35 HIS HD2 . . 4.670 4.570 4.275 4.685 0.015 2 0 "[ . 1 . 2]" 2
439 1 17 VAL MG1 1 35 HIS HD2 . . 4.060 3.675 3.371 4.001 . 0 0 "[ . 1 . 2]" 2
440 1 15 CYS H 1 31 HIS HD2 . . 5.240 4.970 4.848 5.087 . 0 0 "[ . 1 . 2]" 2
441 1 31 HIS HD2 1 32 HIS H . . 4.380 3.841 3.716 3.963 . 0 0 "[ . 1 . 2]" 2
442 1 22 PHE QD 1 27 HIS HA . . 4.940 4.854 4.598 4.949 0.009 11 0 "[ . 1 . 2]" 2
443 1 31 HIS HD2 1 32 HIS HD2 . . 5.090 4.974 4.261 5.095 0.005 13 0 "[ . 1 . 2]" 2
444 1 15 CYS HA 1 31 HIS HD2 . . 5.080 4.765 4.671 4.864 . 0 0 "[ . 1 . 2]" 2
445 1 15 CYS HB2 1 31 HIS HD2 . . 3.680 3.388 3.304 3.470 . 0 0 "[ . 1 . 2]" 2
446 1 10 GLU HA 1 11 LYS HB2 . . 4.830 4.617 4.468 4.835 0.005 13 0 "[ . 1 . 2]" 2
447 1 17 VAL MG2 1 18 CYS HB2 . . 4.410 4.180 4.111 4.281 . 0 0 "[ . 1 . 2]" 2
448 1 17 VAL HB 1 19 GLY H . . 5.500 5.498 5.429 5.522 0.022 7 0 "[ . 1 . 2]" 2
449 1 31 HIS H 1 31 HIS HD2 . . 4.550 4.424 4.366 4.476 . 0 0 "[ . 1 . 2]" 2
450 1 31 HIS HD2 1 32 HIS HA . . 3.990 3.649 3.497 3.795 . 0 0 "[ . 1 . 2]" 2
451 1 17 VAL H 1 17 VAL HB . . 3.690 3.612 3.598 3.624 . 0 0 "[ . 1 . 2]" 2
452 1 17 VAL HB 1 18 CYS H . . 3.670 3.595 3.527 3.659 . 0 0 "[ . 1 . 2]" 2
453 1 12 PRO HB3 1 13 TYR H . . 4.460 4.124 3.986 4.244 . 0 0 "[ . 1 . 2]" 2
454 1 11 LYS QD 1 23 ARG HB3 . . 3.980 3.256 1.934 3.984 0.004 17 0 "[ . 1 . 2]" 2
455 1 23 ARG HB2 1 24 VAL MG1 . . 4.210 3.284 3.075 3.532 . 0 0 "[ . 1 . 2]" 2
456 1 23 ARG HB3 1 24 VAL MG1 . . 4.660 4.370 4.264 4.494 . 0 0 "[ . 1 . 2]" 2
457 1 34 VAL H 1 34 VAL HB . . 3.690 3.658 3.633 3.678 . 0 0 "[ . 1 . 2]" 2
458 1 34 VAL HB 1 35 HIS H . . 4.350 4.121 3.947 4.290 . 0 0 "[ . 1 . 2]" 2
459 1 31 HIS HA 1 34 VAL HB . . 4.790 4.531 4.465 4.619 . 0 0 "[ . 1 . 2]" 2
460 1 32 HIS HB3 1 33 SER H . . 4.120 4.037 3.982 4.103 . 0 0 "[ . 1 . 2]" 2
461 1 11 LYS HA 1 12 PRO HG3 . . 4.610 4.420 4.349 4.463 . 0 0 "[ . 1 . 2]" 2
462 1 11 LYS HA 1 11 LYS QD . . 4.530 3.480 1.973 4.111 . 0 0 "[ . 1 . 2]" 2
463 1 29 VAL MG1 1 32 HIS HB3 . . 4.790 4.550 4.302 4.695 . 0 0 "[ . 1 . 2]" 2
464 1 11 LYS HA 1 23 ARG HB3 . . 4.710 3.995 3.597 4.366 . 0 0 "[ . 1 . 2]" 2
465 1 11 LYS HB3 1 11 LYS QD . . 3.420 2.584 2.260 2.732 . 0 0 "[ . 1 . 2]" 2
466 1 15 CYS HB3 1 18 CYS H . . 4.560 2.821 2.744 2.908 . 0 0 "[ . 1 . 2]" 2
467 1 15 CYS HB3 1 31 HIS HD2 . . 5.120 4.849 4.736 4.927 . 0 0 "[ . 1 . 2]" 2
468 1 15 CYS HB3 1 22 PHE QE . . 4.780 4.478 4.263 4.780 . 0 0 "[ . 1 . 2]" 2
469 1 14 LYS HA 1 15 CYS HB3 . . 5.350 5.073 5.045 5.107 . 0 0 "[ . 1 . 2]" 2
470 1 14 LYS HA 1 15 CYS HB2 . . 4.680 4.266 4.247 4.278 . 0 0 "[ . 1 . 2]" 2
471 1 15 CYS HB3 1 20 LYS HB2 . . 4.440 2.970 2.844 3.060 . 0 0 "[ . 1 . 2]" 2
472 1 15 CYS HB3 1 28 LEU MD1 . . 4.610 4.454 4.361 4.544 . 0 0 "[ . 1 . 2]" 2
473 1 14 LYS QD 1 15 CYS H . . 4.790 4.562 4.463 4.783 . 0 0 "[ . 1 . 2]" 2
474 1 14 LYS H 1 14 LYS QD . . 5.020 4.608 4.411 4.814 . 0 0 "[ . 1 . 2]" 2
475 1 14 LYS QD 1 21 ALA HA . . 5.360 5.340 5.239 5.372 0.012 15 0 "[ . 1 . 2]" 2
476 1 14 LYS HA 1 14 LYS QD . . 4.480 4.165 4.140 4.326 . 0 0 "[ . 1 . 2]" 2
477 1 14 LYS QD 1 19 GLY HA3 . . 4.790 4.648 4.508 4.789 . 0 0 "[ . 1 . 2]" 2
478 1 20 LYS H 1 20 LYS HD3 . . 5.240 4.827 4.510 5.137 . 0 0 "[ . 1 . 2]" 2
479 1 20 LYS HD2 1 22 PHE HZ . . 4.700 3.318 2.625 4.114 . 0 0 "[ . 1 . 2]" 2
480 1 20 LYS HD3 1 22 PHE HZ . . 4.700 4.395 1.990 4.708 0.008 8 0 "[ . 1 . 2]" 2
481 1 20 LYS HB3 1 20 LYS HD3 . . 3.830 3.236 2.279 3.649 . 0 0 "[ . 1 . 2]" 2
482 1 20 LYS HB3 1 20 LYS HD2 . . 3.830 2.325 2.084 3.538 . 0 0 "[ . 1 . 2]" 2
483 1 23 ARG H 1 23 ARG HG3 . . 4.750 2.664 2.069 3.553 . 0 0 "[ . 1 . 2]" 2
484 1 23 ARG HA 1 23 ARG HG2 . . 3.890 3.743 3.647 3.872 . 0 0 "[ . 1 . 2]" 2
485 1 12 PRO QD 1 23 ARG HG2 . . 5.500 5.397 5.197 5.506 0.006 15 0 "[ . 1 . 2]" 2
486 1 12 PRO QD 1 23 ARG HG3 . . 5.500 5.439 5.340 5.503 0.003 10 0 "[ . 1 . 2]" 2
487 1 11 LYS QE 1 23 ARG HG3 . . 5.200 4.598 3.703 5.209 0.009 17 0 "[ . 1 . 2]" 2
488 1 11 LYS QD 1 23 ARG HG2 . . 4.500 3.496 2.339 4.350 . 0 0 "[ . 1 . 2]" 2
489 1 31 HIS HB2 1 32 HIS H . . 4.360 4.305 4.276 4.345 . 0 0 "[ . 1 . 2]" 2
490 1 22 PHE QE 1 31 HIS HB3 . . 4.340 3.304 3.033 3.530 . 0 0 "[ . 1 . 2]" 2
491 1 22 PHE HZ 1 31 HIS HB3 . . 4.480 3.145 3.031 3.351 . 0 0 "[ . 1 . 2]" 2
492 1 23 ARG HA 1 23 ARG HG3 . . 3.860 3.684 3.605 3.877 0.017 14 0 "[ . 1 . 2]" 2
493 1 32 HIS HA 1 35 HIS HB2 . . 5.500 5.201 4.905 5.429 . 0 0 "[ . 1 . 2]" 2
494 1 33 SER HA 1 35 HIS HB2 . . 5.500 5.139 4.953 5.305 . 0 0 "[ . 1 . 2]" 2
495 1 28 LEU HB2 1 31 HIS HB3 . . 5.160 4.783 4.641 4.909 . 0 0 "[ . 1 . 2]" 2
496 1 11 LYS QD 1 23 ARG HG3 . . 5.500 4.500 3.421 5.494 . 0 0 "[ . 1 . 2]" 2
497 1 23 ARG HG3 1 24 VAL HB . . 5.500 4.900 4.455 5.280 . 0 0 "[ . 1 . 2]" 2
498 1 11 LYS HB3 1 23 ARG HG2 . . 5.500 5.133 4.688 5.501 0.001 18 0 "[ . 1 . 2]" 2
499 1 28 LEU MD1 1 31 HIS HB2 . . 4.810 4.542 4.364 4.617 . 0 0 "[ . 1 . 2]" 2
500 1 28 LEU MD1 1 31 HIS HB3 . . 4.330 3.174 2.988 3.273 . 0 0 "[ . 1 . 2]" 2
501 1 17 VAL MG2 1 35 HIS HB3 . . 4.350 3.570 3.401 3.702 . 0 0 "[ . 1 . 2]" 2
502 1 30 GLN QB 1 32 HIS H . . 4.700 4.669 4.604 4.706 0.006 2 0 "[ . 1 . 2]" 2
503 1 30 GLN H 1 30 GLN QB . . 3.060 2.498 2.462 2.535 . 0 0 "[ . 1 . 2]" 2
504 1 27 HIS HD2 1 30 GLN QB . . 5.090 5.040 4.839 5.095 0.005 10 0 "[ . 1 . 2]" 2
505 1 27 HIS HA 1 30 GLN QB . . 3.500 3.056 2.886 3.220 . 0 0 "[ . 1 . 2]" 2
506 1 30 GLN QB 1 31 HIS HB2 . . 4.630 4.468 4.407 4.501 . 0 0 "[ . 1 . 2]" 2
507 1 30 GLN QB 1 31 HIS HB3 . . 4.560 4.472 4.386 4.515 . 0 0 "[ . 1 . 2]" 2
508 1 29 VAL MG1 1 30 GLN QB . . 4.600 4.532 4.437 4.608 0.008 16 0 "[ . 1 . 2]" 2
509 1 17 VAL MG1 1 35 HIS HB3 . . 4.670 4.332 4.018 4.583 . 0 0 "[ . 1 . 2]" 2
510 1 17 VAL MG1 1 35 HIS HB2 . . 4.530 4.088 3.754 4.491 . 0 0 "[ . 1 . 2]" 2
511 1 28 LEU HG 1 32 HIS HE1 . . 4.700 4.605 4.374 4.704 0.004 6 0 "[ . 1 . 2]" 2
512 1 28 LEU H 1 28 LEU HG . . 4.460 4.358 4.250 4.424 . 0 0 "[ . 1 . 2]" 2
513 1 25 SER HA 1 28 LEU HG . . 5.200 4.468 4.342 4.669 . 0 0 "[ . 1 . 2]" 2
514 1 28 LEU HG 1 31 HIS HB3 . . 5.500 4.955 4.778 5.062 . 0 0 "[ . 1 . 2]" 2
515 1 39 ARG HA 1 40 PRO HD2 . . 3.110 2.258 2.044 2.417 . 0 0 "[ . 1 . 2]" 2
516 1 39 ARG HA 1 40 PRO HD3 . . 3.110 2.268 2.252 2.305 . 0 0 "[ . 1 . 2]" 2
517 1 39 ARG H 1 39 ARG QG . . 4.600 3.074 1.944 4.106 . 0 0 "[ . 1 . 2]" 2
518 1 39 ARG HA 1 39 ARG QG . . 3.910 2.633 2.161 3.343 . 0 0 "[ . 1 . 2]" 2
519 1 11 LYS HA 1 12 PRO QD . . 3.190 2.037 1.958 2.081 . 0 0 "[ . 1 . 2]" 2
520 1 12 PRO QD 1 23 ARG HA . . 3.550 2.054 1.980 2.159 . 0 0 "[ . 1 . 2]" 2
521 1 12 PRO QD 1 13 TYR HB2 . . 4.750 4.722 4.593 4.776 0.026 12 0 "[ . 1 . 2]" 2
522 1 11 LYS HB3 1 12 PRO QD . . 4.000 2.211 1.982 2.522 . 0 0 "[ . 1 . 2]" 2
523 1 14 LYS HA 1 21 ALA HA . . 3.770 2.035 1.997 2.109 . 0 0 "[ . 1 . 2]" 2
524 1 14 LYS QB 1 21 ALA HA . . 4.120 3.318 3.019 3.430 . 0 0 "[ . 1 . 2]" 2
525 1 28 LEU MD2 1 32 HIS HE1 . . 4.350 4.130 3.911 4.269 . 0 0 "[ . 1 . 2]" 2
526 1 22 PHE QD 1 28 LEU MD2 . . 4.000 3.001 2.753 3.243 . 0 0 "[ . 1 . 2]" 2
527 1 22 PHE QE 1 28 LEU MD2 . . 4.740 4.097 3.821 4.276 . 0 0 "[ . 1 . 2]" 2
528 1 13 TYR HA 1 28 LEU MD2 . . 3.950 3.612 3.332 3.862 . 0 0 "[ . 1 . 2]" 2
529 1 12 PRO HG3 1 23 ARG HA . . 5.250 4.100 3.918 4.350 . 0 0 "[ . 1 . 2]" 2
530 1 11 LYS HA 1 12 PRO HG2 . . 4.590 4.434 4.312 4.500 . 0 0 "[ . 1 . 2]" 2
531 1 12 PRO HG2 1 23 ARG HA . . 4.850 3.597 3.295 3.814 . 0 0 "[ . 1 . 2]" 2
532 1 22 PHE HB3 1 28 LEU MD2 . . 5.300 5.020 4.927 5.111 . 0 0 "[ . 1 . 2]" 2
533 1 28 LEU MD2 1 29 VAL HA . . 5.500 4.732 4.559 4.860 . 0 0 "[ . 1 . 2]" 2
534 1 28 LEU HB2 1 28 LEU MD2 . . 3.350 2.345 2.217 2.444 . 0 0 "[ . 1 . 2]" 2
535 1 13 TYR H 1 28 LEU MD2 . . 5.070 4.607 4.187 4.892 . 0 0 "[ . 1 . 2]" 2
536 1 28 LEU MD2 1 29 VAL H . . 5.350 4.324 4.153 4.580 . 0 0 "[ . 1 . 2]" 2
537 1 42 GLY HA2 1 43 PRO QD . . 3.500 2.272 1.858 3.464 . 0 0 "[ . 1 . 2]" 2
538 1 28 LEU HA 1 28 LEU MD2 . . 3.960 3.909 3.864 3.964 0.004 5 0 "[ . 1 . 2]" 2
539 1 13 TYR HB3 1 28 LEU MD2 . . 3.330 1.974 1.848 2.162 . 0 0 "[ . 1 . 2]" 2
540 1 13 TYR HB2 1 28 LEU MD2 . . 3.530 2.279 1.884 2.691 . 0 0 "[ . 1 . 2]" 2
541 1 28 LEU HB3 1 28 LEU MD2 . . 3.320 2.312 2.226 2.406 . 0 0 "[ . 1 . 2]" 2
542 1 20 LYS HA 1 20 LYS HG3 . . 3.930 3.630 3.602 3.647 . 0 0 "[ . 1 . 2]" 2
543 1 20 LYS HE3 1 20 LYS HG2 . . 4.200 3.615 2.299 4.211 0.011 1 0 "[ . 1 . 2]" 2
544 1 20 LYS HG2 1 21 ALA H . . 4.570 4.195 4.073 4.298 . 0 0 "[ . 1 . 2]" 2
545 1 20 LYS HG3 1 21 ALA H . . 4.570 4.400 4.293 4.572 0.002 19 0 "[ . 1 . 2]" 2
546 1 20 LYS HG2 1 22 PHE QE . . 4.830 4.700 4.523 4.815 . 0 0 "[ . 1 . 2]" 2
547 1 20 LYS HG3 1 22 PHE QE . . 4.830 3.858 3.658 3.978 . 0 0 "[ . 1 . 2]" 2
548 1 32 HIS HA 1 32 HIS HD2 . . 4.690 4.530 4.283 4.627 . 0 0 "[ . 1 . 2]" 2
549 1 20 LYS HA 1 20 LYS HG2 . . 3.930 2.476 2.366 2.562 . 0 0 "[ . 1 . 2]" 2
550 1 20 LYS HE2 1 20 LYS HG2 . . 4.200 3.275 2.735 3.754 . 0 0 "[ . 1 . 2]" 2
551 1 29 VAL MG2 1 32 HIS HD2 . . 4.120 3.171 3.025 3.325 . 0 0 "[ . 1 . 2]" 2
552 1 11 LYS HG3 1 12 PRO QD . . 4.780 4.056 3.826 4.362 . 0 0 "[ . 1 . 2]" 2
553 1 11 LYS HG2 1 12 PRO QD . . 4.780 3.573 3.078 4.468 . 0 0 "[ . 1 . 2]" 2
554 1 14 LYS H 1 14 LYS HG2 . . 4.370 4.316 4.024 4.382 0.012 9 0 "[ . 1 . 2]" 2
555 1 14 LYS HG2 1 19 GLY HA2 . . 5.050 2.939 2.777 3.498 . 0 0 "[ . 1 . 2]" 2
556 1 14 LYS HG3 1 19 GLY HA2 . . 5.390 3.651 2.965 3.844 . 0 0 "[ . 1 . 2]" 2
557 1 14 LYS HG2 1 19 GLY HA3 . . 5.050 4.367 4.142 5.052 0.002 4 0 "[ . 1 . 2]" 2
558 1 14 LYS HG3 1 19 GLY HA3 . . 5.390 4.524 4.144 4.714 . 0 0 "[ . 1 . 2]" 2
559 1 13 TYR QE 1 24 VAL MG1 . . 4.690 4.503 4.210 4.691 0.001 15 0 "[ . 1 . 2]" 2
560 1 13 TYR QE 1 25 SER H . . 3.890 2.582 2.114 3.009 . 0 0 "[ . 1 . 2]" 2
561 1 13 TYR H 1 13 TYR QE . . 4.450 4.304 4.082 4.449 . 0 0 "[ . 1 . 2]" 2
562 1 13 TYR QE 1 24 VAL H . . 4.690 4.441 4.098 4.670 . 0 0 "[ . 1 . 2]" 2
563 1 13 TYR HA 1 13 TYR QE . . 4.930 4.688 4.579 4.738 . 0 0 "[ . 1 . 2]" 2
564 1 13 TYR QE 1 24 VAL HA . . 3.490 2.462 2.084 2.649 . 0 0 "[ . 1 . 2]" 2
565 1 12 PRO HA 1 13 TYR QE . . 5.500 5.157 4.900 5.355 . 0 0 "[ . 1 . 2]" 2
566 1 12 PRO QD 1 13 TYR QE . . 4.690 4.538 4.432 4.629 . 0 0 "[ . 1 . 2]" 2
567 1 13 TYR QE 1 25 SER HB3 . . 4.030 3.856 3.341 4.036 0.006 11 0 "[ . 1 . 2]" 2
568 1 13 TYR QE 1 25 SER HA . . 3.810 3.302 2.943 3.585 . 0 0 "[ . 1 . 2]" 2
569 1 12 PRO HB2 1 13 TYR QE . . 4.300 2.575 2.338 2.798 . 0 0 "[ . 1 . 2]" 2
570 1 12 PRO HG3 1 13 TYR QE . . 4.140 3.732 3.537 3.969 . 0 0 "[ . 1 . 2]" 2
571 1 12 PRO HG2 1 13 TYR QE . . 3.760 3.128 3.038 3.305 . 0 0 "[ . 1 . 2]" 2
572 1 12 PRO HB3 1 13 TYR QE . . 4.300 4.028 3.851 4.281 . 0 0 "[ . 1 . 2]" 2
573 1 13 TYR QE 1 24 VAL MG2 . . 4.820 4.532 4.312 4.705 . 0 0 "[ . 1 . 2]" 2
574 1 11 LYS HB2 1 12 PRO QD . . 4.650 3.593 3.308 3.803 . 0 0 "[ . 1 . 2]" 2
575 1 12 PRO HB2 1 13 TYR H . . 4.460 3.305 3.066 3.511 . 0 0 "[ . 1 . 2]" 2
576 1 13 TYR QD 1 24 VAL MG1 . . 5.500 5.098 4.848 5.272 . 0 0 "[ . 1 . 2]" 2
577 1 14 LYS HG3 1 21 ALA HA . . 4.450 3.740 3.581 4.041 . 0 0 "[ . 1 . 2]" 2
578 1 15 CYS HB2 1 20 LYS HB3 . . 4.440 3.399 3.310 3.495 . 0 0 "[ . 1 . 2]" 2
579 1 20 LYS HB3 1 22 PHE QE . . 4.000 2.205 1.992 2.460 . 0 0 "[ . 1 . 2]" 2
580 1 22 PHE QE 1 31 HIS H . . 5.300 4.923 4.683 5.171 . 0 0 "[ . 1 . 2]" 2
581 1 21 ALA H 1 22 PHE QE . . 5.060 3.454 3.184 3.632 . 0 0 "[ . 1 . 2]" 2
582 1 22 PHE HZ 1 31 HIS H . . 5.500 5.320 5.223 5.472 . 0 0 "[ . 1 . 2]" 2
583 1 22 PHE HZ 1 31 HIS HA . . 5.240 5.025 4.900 5.205 . 0 0 "[ . 1 . 2]" 2
584 1 24 VAL MG2 1 28 LEU H . . 4.090 2.726 2.630 2.823 . 0 0 "[ . 1 . 2]" 2
585 1 24 VAL MG1 1 27 HIS HD2 . . 5.140 4.865 4.688 5.015 . 0 0 "[ . 1 . 2]" 2
586 1 28 LEU MD1 1 31 HIS HA . . 5.470 5.460 5.396 5.482 0.012 17 0 "[ . 1 . 2]" 2
587 1 31 HIS HA 1 34 VAL H . . 4.390 3.549 3.355 3.639 . 0 0 "[ . 1 . 2]" 2
588 1 22 PHE HZ 1 31 HIS HE1 . . 4.960 3.809 3.669 4.084 . 0 0 "[ . 1 . 2]" 2
589 1 22 PHE QE 1 31 HIS HE1 . . 4.990 4.791 4.690 4.887 . 0 0 "[ . 1 . 2]" 2
590 1 29 VAL MG2 1 32 HIS HB2 . . 4.830 4.503 4.332 4.637 . 0 0 "[ . 1 . 2]" 2
591 1 18 CYS H 1 35 HIS HD2 . . 5.370 5.292 5.124 5.374 0.004 1 0 "[ . 1 . 2]" 2
592 1 18 CYS H 1 35 HIS HE1 . . 4.720 4.474 4.297 4.694 . 0 0 "[ . 1 . 2]" 2
593 1 41 SER HA 1 41 SER QB . . 2.670 2.328 2.187 2.492 . 0 0 "[ . 1 . 2]" 2
594 1 8 THR MG 1 9 GLY QA . . 4.070 3.431 2.823 3.888 . 0 0 "[ . 1 . 2]" 2
595 1 9 GLY QA 1 10 GLU H . . 3.010 2.222 2.113 2.764 . 0 0 "[ . 1 . 2]" 2
596 1 9 GLY QA 1 10 GLU HA . . 4.690 4.042 3.950 4.303 . 0 0 "[ . 1 . 2]" 2
597 1 9 GLY QA 1 10 GLU QG . . 4.500 4.002 3.499 4.492 . 0 0 "[ . 1 . 2]" 2
598 1 9 GLY QA 1 11 LYS H . . 5.340 5.181 4.318 5.342 0.002 19 0 "[ . 1 . 2]" 2
599 1 10 GLU H 1 10 GLU QB . . 3.060 2.483 2.216 3.047 . 0 0 "[ . 1 . 2]" 2
600 1 10 GLU HA 1 11 LYS QG . . 4.080 3.783 3.429 4.016 . 0 0 "[ . 1 . 2]" 2
601 1 10 GLU QB 1 11 LYS H . . 3.820 3.214 3.045 3.725 . 0 0 "[ . 1 . 2]" 2
602 1 11 LYS H 1 11 LYS QG . . 3.410 2.291 1.874 2.722 . 0 0 "[ . 1 . 2]" 2
603 1 11 LYS HA 1 11 LYS QG . . 3.710 2.639 2.399 3.117 . 0 0 "[ . 1 . 2]" 2
604 1 11 LYS HA 1 12 PRO QB . . 5.230 4.552 4.536 4.566 . 0 0 "[ . 1 . 2]" 2
605 1 11 LYS QG 1 22 PHE H . . 4.630 3.931 2.832 4.615 . 0 0 "[ . 1 . 2]" 2
606 1 11 LYS QG 1 23 ARG HA . . 4.400 2.749 2.135 3.726 . 0 0 "[ . 1 . 2]" 2
607 1 11 LYS QG 1 23 ARG HG2 . . 4.210 3.564 3.082 4.037 . 0 0 "[ . 1 . 2]" 2
608 1 11 LYS QG 1 23 ARG HG3 . . 4.720 4.434 4.040 4.724 0.004 11 0 "[ . 1 . 2]" 2
609 1 12 PRO QB 1 13 TYR QD . . 4.410 2.644 2.380 2.894 . 0 0 "[ . 1 . 2]" 2
610 1 12 PRO QB 1 13 TYR QE . . 3.660 2.546 2.319 2.763 . 0 0 "[ . 1 . 2]" 2
611 1 14 LYS QB 1 16 GLN QE . . 3.880 3.574 3.354 3.841 . 0 0 "[ . 1 . 2]" 2
612 1 14 LYS HG2 1 19 GLY QA . . 4.280 2.896 2.737 3.438 . 0 0 "[ . 1 . 2]" 2
613 1 14 LYS HG3 1 19 GLY QA . . 4.660 3.503 2.906 3.683 . 0 0 "[ . 1 . 2]" 2
614 1 14 LYS QD 1 19 GLY QA . . 4.020 3.515 3.429 3.681 . 0 0 "[ . 1 . 2]" 2
615 1 14 LYS QE 1 19 GLY QA . . 3.280 2.398 1.922 3.153 . 0 0 "[ . 1 . 2]" 2
616 1 15 CYS HB3 1 20 LYS QG . . 4.800 4.204 4.058 4.310 . 0 0 "[ . 1 . 2]" 2
617 1 16 GLN QB 1 17 VAL H . . 3.830 2.824 2.732 3.008 . 0 0 "[ . 1 . 2]" 2
618 1 16 GLN QB 1 17 VAL MG1 . . 3.860 3.175 3.109 3.255 . 0 0 "[ . 1 . 2]" 2
619 1 18 CYS H 1 19 GLY QA . . 4.070 3.921 3.879 3.968 . 0 0 "[ . 1 . 2]" 2
620 1 18 CYS HA 1 19 GLY QA . . 5.170 4.248 4.244 4.254 . 0 0 "[ . 1 . 2]" 2
621 1 19 GLY H 1 20 LYS QG . . 5.340 4.449 4.355 4.512 . 0 0 "[ . 1 . 2]" 2
622 1 20 LYS H 1 20 LYS QG . . 3.100 2.872 2.778 2.979 . 0 0 "[ . 1 . 2]" 2
623 1 20 LYS HA 1 20 LYS QG . . 3.420 2.436 2.336 2.514 . 0 0 "[ . 1 . 2]" 2
624 1 20 LYS HA 1 20 LYS QD . . 3.690 2.422 2.185 3.381 . 0 0 "[ . 1 . 2]" 2
625 1 20 LYS HB3 1 20 LYS QD . . 3.330 2.225 2.054 2.517 . 0 0 "[ . 1 . 2]" 2
626 1 20 LYS HB3 1 20 LYS QE . . 4.240 3.251 2.244 3.964 . 0 0 "[ . 1 . 2]" 2
627 1 20 LYS QE 1 20 LYS QG . . 3.140 2.162 2.058 2.470 . 0 0 "[ . 1 . 2]" 2
628 1 20 LYS QG 1 21 ALA H . . 3.980 3.820 3.762 3.886 . 0 0 "[ . 1 . 2]" 2
629 1 20 LYS QG 1 22 PHE QE . . 4.010 3.690 3.511 3.789 . 0 0 "[ . 1 . 2]" 2
630 1 20 LYS QG 1 22 PHE HZ . . 4.320 2.841 2.714 3.022 . 0 0 "[ . 1 . 2]" 2
631 1 20 LYS QG 1 31 HIS HE1 . . 4.180 2.192 2.053 2.316 . 0 0 "[ . 1 . 2]" 2
632 1 20 LYS QD 1 21 ALA H . . 4.020 2.572 2.412 3.275 . 0 0 "[ . 1 . 2]" 2
633 1 20 LYS QD 1 22 PHE QE . . 4.080 3.563 2.946 4.081 0.001 1 0 "[ . 1 . 2]" 2
634 1 20 LYS QD 1 22 PHE HZ . . 3.840 3.139 1.978 3.841 0.001 10 0 "[ . 1 . 2]" 2
635 1 20 LYS QD 1 31 HIS HE1 . . 4.890 4.267 3.653 4.478 . 0 0 "[ . 1 . 2]" 2
636 1 20 LYS QE 1 21 ALA H . . 5.340 3.969 1.882 4.684 . 0 0 "[ . 1 . 2]" 2
637 1 20 LYS QE 1 22 PHE QE . . 4.170 3.465 2.387 4.174 0.004 2 0 "[ . 1 . 2]" 2
638 1 20 LYS QE 1 22 PHE HZ . . 4.110 3.140 2.046 3.928 . 0 0 "[ . 1 . 2]" 2
639 1 23 ARG H 1 23 ARG QD . . 4.770 3.950 3.651 4.154 . 0 0 "[ . 1 . 2]" 2
640 1 23 ARG HA 1 23 ARG QD . . 4.640 4.379 4.219 4.593 . 0 0 "[ . 1 . 2]" 2
641 1 23 ARG HB2 1 23 ARG QD . . 3.660 2.322 2.043 2.800 . 0 0 "[ . 1 . 2]" 2
642 1 23 ARG HB3 1 23 ARG QD . . 3.580 2.715 2.413 2.993 . 0 0 "[ . 1 . 2]" 2
643 1 23 ARG QD 1 24 VAL H . . 5.340 4.375 3.776 4.714 . 0 0 "[ . 1 . 2]" 2
644 1 23 ARG QD 1 24 VAL MG1 . . 4.120 3.030 2.560 3.640 . 0 0 "[ . 1 . 2]" 2
645 1 37 GLY QA 1 38 GLU H . . 3.040 2.259 2.111 2.683 . 0 0 "[ . 1 . 2]" 2
646 1 37 GLY QA 1 38 GLU QB . . 4.230 3.987 3.528 4.296 0.066 17 0 "[ . 1 . 2]" 2
647 1 38 GLU H 1 38 GLU QB . . 3.180 2.615 2.165 3.224 0.044 12 0 "[ . 1 . 2]" 2
648 1 38 GLU H 1 38 GLU QG . . 4.360 3.381 2.193 4.299 . 0 0 "[ . 1 . 2]" 2
649 1 38 GLU HA 1 38 GLU QG . . 3.580 2.757 2.268 3.499 . 0 0 "[ . 1 . 2]" 2
650 1 38 GLU QB 1 39 ARG H . . 4.330 3.411 2.185 4.039 . 0 0 "[ . 1 . 2]" 2
651 1 38 GLU QG 1 39 ARG H . . 4.540 3.569 2.143 4.559 0.019 17 0 "[ . 1 . 2]" 2
652 1 39 ARG H 1 39 ARG QB . . 3.340 2.511 2.172 3.284 . 0 0 "[ . 1 . 2]" 2
653 1 39 ARG QB 1 40 PRO QD . . 3.430 2.496 2.016 3.370 . 0 0 "[ . 1 . 2]" 2
654 1 39 ARG QG 1 40 PRO QD . . 5.350 2.957 1.822 3.972 . 0 0 "[ . 1 . 2]" 2
655 1 42 GLY QA 1 43 PRO QD . . 2.870 1.995 1.847 2.218 . 0 0 "[ . 1 . 2]" 2
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