NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
639878 |
6qkp   |
34358 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6qkp
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 655
_Distance_constraint_stats_list.Viol_count 1019
_Distance_constraint_stats_list.Viol_total 728.888
_Distance_constraint_stats_list.Viol_max 0.262
_Distance_constraint_stats_list.Viol_rms 0.0139
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0358
_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 3 MET 0.444 0.166 3 0 "[ . 1 . 2]"
1 4 SER 0.444 0.166 3 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 1.252 0.184 18 0 "[ . 1 . 2]"
1 9 GLY 0.196 0.071 1 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 1.818 0.161 13 0 "[ . 1 . 2]"
1 13 ILE 3.726 0.161 13 0 "[ . 1 . 2]"
1 14 ASP 1.737 0.114 1 0 "[ . 1 . 2]"
1 15 ARG 0.386 0.067 16 0 "[ . 1 . 2]"
1 16 GLU 0.663 0.061 14 0 "[ . 1 . 2]"
1 17 GLN 0.585 0.098 20 0 "[ . 1 . 2]"
1 18 SER 1.064 0.078 16 0 "[ . 1 . 2]"
1 19 ALA 0.457 0.078 16 0 "[ . 1 . 2]"
1 20 ALA 0.423 0.052 5 0 "[ . 1 . 2]"
1 21 ILE 0.592 0.052 4 0 "[ . 1 . 2]"
1 22 ARG 3.070 0.088 3 0 "[ . 1 . 2]"
1 23 GLU 1.065 0.104 18 0 "[ . 1 . 2]"
1 24 TRP 4.675 0.105 6 0 "[ . 1 . 2]"
1 25 ALA 1.233 0.084 7 0 "[ . 1 . 2]"
1 26 ARG 1.826 0.165 15 0 "[ . 1 . 2]"
1 27 ARG 1.899 0.196 1 0 "[ . 1 . 2]"
1 28 ASN 1.522 0.067 17 0 "[ . 1 . 2]"
1 29 GLY 0.394 0.059 9 0 "[ . 1 . 2]"
1 30 HIS 1.731 0.069 4 0 "[ . 1 . 2]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 0.865 0.100 20 0 "[ . 1 . 2]"
1 33 SER 0.015 0.015 6 0 "[ . 1 . 2]"
1 34 THR 0.379 0.055 19 0 "[ . 1 . 2]"
1 35 ARG 0.379 0.055 19 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ARG 0.194 0.080 12 0 "[ . 1 . 2]"
1 38 ILE 2.359 0.088 3 0 "[ . 1 . 2]"
1 39 PRO 3.143 0.065 3 0 "[ . 1 . 2]"
1 40 ALA 0.592 0.077 18 0 "[ . 1 . 2]"
1 41 ASP 0.824 0.089 20 0 "[ . 1 . 2]"
1 42 VAL 2.526 0.066 15 0 "[ . 1 . 2]"
1 43 ILE 3.491 0.091 11 0 "[ . 1 . 2]"
1 44 ASP 2.380 0.089 20 0 "[ . 1 . 2]"
1 45 ALA 2.498 0.131 6 0 "[ . 1 . 2]"
1 46 TYR 1.928 0.070 3 0 "[ . 1 . 2]"
1 47 HIS 1.820 0.091 11 0 "[ . 1 . 2]"
1 48 ALA 0.918 0.079 18 0 "[ . 1 . 2]"
1 49 ALA 5.069 0.262 5 0 "[ . 1 . 2]"
1 50 THR 4.833 0.262 5 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 3 MET HA 1 4 SER QB 4.850 . 4.850 4.507 3.886 5.016 0.166 3 0 "[ . 1 . 2]" 1
2 1 4 SER HA 1 5 GLY QA 4.890 . 4.890 3.979 3.862 4.230 . 0 0 "[ . 1 . 2]" 1
3 1 5 GLY HA2 1 6 SER HA 5.500 . 5.500 4.472 4.280 4.613 . 0 0 "[ . 1 . 2]" 1
4 1 5 GLY HA3 1 6 SER HA 5.500 . 5.500 4.493 4.325 4.807 . 0 0 "[ . 1 . 2]" 1
5 1 8 ARG HA 1 8 ARG QB 2.670 . 2.670 2.387 2.297 2.534 . 0 0 "[ . 1 . 2]" 1
6 1 8 ARG HA 1 8 ARG QD 3.550 . 3.550 2.883 1.961 3.734 0.184 18 0 "[ . 1 . 2]" 1
7 1 8 ARG HA 1 8 ARG QG 3.130 . 3.130 2.594 2.196 3.092 . 0 0 "[ . 1 . 2]" 1
8 1 8 ARG HA 1 9 GLY QA 5.200 . 5.200 3.981 3.802 4.418 . 0 0 "[ . 1 . 2]" 1
9 1 8 ARG QB 1 8 ARG QD 2.920 . 2.920 2.285 2.009 2.785 . 0 0 "[ . 1 . 2]" 1
10 1 8 ARG QB 1 9 GLY QA 3.940 . 3.940 3.814 3.457 4.011 0.071 1 0 "[ . 1 . 2]" 1
11 1 9 GLY QA 1 10 ARG HA 5.340 . 5.340 4.027 3.879 4.336 . 0 0 "[ . 1 . 2]" 1
12 1 10 ARG HA 1 10 ARG QG 3.490 . 3.490 2.606 2.344 3.244 . 0 0 "[ . 1 . 2]" 1
13 1 11 GLY QA 1 12 ALA MB 4.350 . 4.350 3.914 3.579 4.300 . 0 0 "[ . 1 . 2]" 1
14 1 12 ALA H 1 12 ALA MB 3.620 . 3.620 2.436 2.225 2.913 . 0 0 "[ . 1 . 2]" 1
15 1 12 ALA HA 1 13 ILE H 2.910 . 2.910 2.380 2.076 2.908 . 0 0 "[ . 1 . 2]" 1
16 1 12 ALA HA 1 13 ILE MD 4.440 . 4.440 4.392 2.863 4.571 0.131 1 0 "[ . 1 . 2]" 1
17 1 12 ALA HA 1 13 ILE QG 4.340 . 4.340 3.150 2.925 4.299 . 0 0 "[ . 1 . 2]" 1
18 1 12 ALA HA 1 13 ILE MG 5.500 . 5.500 5.348 5.231 5.559 0.059 3 0 "[ . 1 . 2]" 1
19 1 12 ALA MB 1 13 ILE H 3.370 . 3.370 2.330 1.812 2.976 . 0 0 "[ . 1 . 2]" 1
20 1 12 ALA MB 1 13 ILE HA 4.690 . 4.690 4.186 4.059 4.395 . 0 0 "[ . 1 . 2]" 1
21 1 12 ALA MB 1 13 ILE MD 4.950 . 4.950 4.725 2.973 5.111 0.161 13 0 "[ . 1 . 2]" 1
22 1 13 ILE H 1 13 ILE HB 3.210 . 3.210 2.490 2.354 2.621 . 0 0 "[ . 1 . 2]" 1
23 1 13 ILE H 1 13 ILE HG12 3.780 . 3.780 3.563 3.311 3.858 0.078 3 0 "[ . 1 . 2]" 1
24 1 13 ILE H 1 13 ILE QG 3.190 . 3.190 2.215 1.899 3.029 . 0 0 "[ . 1 . 2]" 1
25 1 13 ILE H 1 13 ILE HG13 3.780 . 3.780 2.242 1.910 3.166 . 0 0 "[ . 1 . 2]" 1
26 1 13 ILE H 1 13 ILE MG 3.870 . 3.870 3.761 3.712 3.812 . 0 0 "[ . 1 . 2]" 1
27 1 13 ILE H 1 14 ASP H 4.700 . 4.700 4.200 3.529 4.505 . 0 0 "[ . 1 . 2]" 1
28 1 13 ILE HA 1 13 ILE HG12 3.580 . 3.580 2.662 2.502 3.616 0.036 3 0 "[ . 1 . 2]" 1
29 1 13 ILE HA 1 13 ILE QG 3.020 . 3.020 2.439 2.362 2.510 . 0 0 "[ . 1 . 2]" 1
30 1 13 ILE HA 1 13 ILE HG13 3.580 . 3.580 2.909 2.466 3.038 . 0 0 "[ . 1 . 2]" 1
31 1 13 ILE HA 1 13 ILE MG 2.900 . 2.900 2.356 2.273 2.441 . 0 0 "[ . 1 . 2]" 1
32 1 13 ILE HA 1 14 ASP H 2.940 . 2.940 2.092 1.991 2.275 . 0 0 "[ . 1 . 2]" 1
33 1 13 ILE HB 1 14 ASP H 4.140 . 4.140 4.117 3.821 4.254 0.114 1 0 "[ . 1 . 2]" 1
34 1 13 ILE HB 1 14 ASP HA 5.220 . 5.220 5.083 4.705 5.254 0.034 9 0 "[ . 1 . 2]" 1
35 1 13 ILE MD 1 17 GLN HA 5.180 . 5.180 4.033 2.518 5.246 0.066 7 0 "[ . 1 . 2]" 1
36 1 13 ILE MD 1 17 GLN QE 4.560 . 4.560 2.965 1.838 4.592 0.032 5 0 "[ . 1 . 2]" 1
37 1 13 ILE MD 1 17 GLN QG 4.590 . 4.590 2.484 1.964 3.270 . 0 0 "[ . 1 . 2]" 1
38 1 13 ILE QG 1 14 ASP H 4.130 . 4.130 4.136 4.058 4.193 0.063 10 0 "[ . 1 . 2]" 1
39 1 13 ILE QG 1 17 GLN QG 4.440 . 4.440 3.797 2.818 4.450 0.010 12 0 "[ . 1 . 2]" 1
40 1 13 ILE HG12 1 13 ILE MG 3.690 . 3.690 2.282 2.077 2.403 . 0 0 "[ . 1 . 2]" 1
41 1 13 ILE HG12 1 14 ASP H 4.900 . 4.900 4.530 4.329 4.972 0.072 3 0 "[ . 1 . 2]" 1
42 1 13 ILE HG13 1 13 ILE MG 3.690 . 3.690 3.158 2.550 3.219 . 0 0 "[ . 1 . 2]" 1
43 1 13 ILE HG13 1 14 ASP H 4.900 . 4.900 4.815 4.326 4.936 0.036 6 0 "[ . 1 . 2]" 1
44 1 13 ILE MG 1 14 ASP H 3.710 . 3.710 2.870 2.254 3.583 . 0 0 "[ . 1 . 2]" 1
45 1 13 ILE MG 1 14 ASP HA 4.650 . 4.650 4.200 3.657 4.654 0.004 8 0 "[ . 1 . 2]" 1
46 1 13 ILE MG 1 17 GLN H 4.960 . 4.960 3.732 2.423 4.601 . 0 0 "[ . 1 . 2]" 1
47 1 13 ILE MG 1 17 GLN HA 4.930 . 4.930 3.172 2.104 4.511 . 0 0 "[ . 1 . 2]" 1
48 1 13 ILE MG 1 17 GLN QG 4.480 . 4.480 2.715 1.975 4.106 . 0 0 "[ . 1 . 2]" 1
49 1 14 ASP H 1 14 ASP HB2 3.540 . 3.540 2.732 2.470 3.153 . 0 0 "[ . 1 . 2]" 1
50 1 14 ASP H 1 14 ASP HB3 3.540 . 3.540 2.535 2.398 2.649 . 0 0 "[ . 1 . 2]" 1
51 1 14 ASP QB 1 15 ARG H 3.840 . 3.840 2.685 2.199 3.907 0.067 16 0 "[ . 1 . 2]" 1
52 1 14 ASP HB2 1 15 ARG H 4.600 . 4.600 3.889 3.636 4.423 . 0 0 "[ . 1 . 2]" 1
53 1 14 ASP HB3 1 15 ARG H 4.600 . 4.600 2.765 2.218 4.349 . 0 0 "[ . 1 . 2]" 1
54 1 15 ARG H 1 15 ARG QB 3.250 . 3.250 2.517 2.341 2.896 . 0 0 "[ . 1 . 2]" 1
55 1 15 ARG H 1 15 ARG HG2 4.690 . 4.690 3.567 2.407 4.633 . 0 0 "[ . 1 . 2]" 1
56 1 15 ARG H 1 15 ARG HG3 4.690 . 4.690 3.382 2.102 4.694 0.004 16 0 "[ . 1 . 2]" 1
57 1 15 ARG HA 1 15 ARG QB 2.580 . 2.580 2.390 2.341 2.527 . 0 0 "[ . 1 . 2]" 1
58 1 15 ARG HA 1 16 GLU H 3.510 . 3.510 2.537 2.027 3.495 . 0 0 "[ . 1 . 2]" 1
59 1 15 ARG QB 1 15 ARG QD 3.020 . 3.020 2.349 2.079 2.822 . 0 0 "[ . 1 . 2]" 1
60 1 15 ARG QB 1 15 ARG QG 2.420 . 2.420 2.038 1.979 2.091 . 0 0 "[ . 1 . 2]" 1
61 1 15 ARG QB 1 16 GLU H 3.150 . 3.150 2.356 1.776 3.153 0.024 9 0 "[ . 1 . 2]" 1
62 1 15 ARG QD 1 15 ARG QG 2.380 . 2.380 2.055 1.996 2.092 . 0 0 "[ . 1 . 2]" 1
63 1 15 ARG QG 1 16 GLU H 4.240 . 4.240 3.942 3.389 4.277 0.037 15 0 "[ . 1 . 2]" 1
64 1 15 ARG HG2 1 16 GLU H 4.860 . 4.860 4.442 4.033 4.921 0.061 14 0 "[ . 1 . 2]" 1
65 1 15 ARG HG3 1 16 GLU H 4.860 . 4.860 4.550 3.494 4.899 0.039 13 0 "[ . 1 . 2]" 1
66 1 16 GLU H 1 16 GLU QG 3.660 . 3.660 2.653 1.858 3.595 . 0 0 "[ . 1 . 2]" 1
67 1 16 GLU H 1 17 GLN H 4.600 . 4.600 4.439 2.843 4.629 0.029 10 0 "[ . 1 . 2]" 1
68 1 16 GLU HA 1 16 GLU QG 3.170 . 3.170 2.490 2.295 3.026 . 0 0 "[ . 1 . 2]" 1
69 1 16 GLU HA 1 17 GLN H 3.640 . 3.640 2.236 2.083 2.564 . 0 0 "[ . 1 . 2]" 1
70 1 16 GLU QB 1 17 GLN H 3.990 . 3.990 3.058 2.675 3.907 . 0 0 "[ . 1 . 2]" 1
71 1 16 GLU QB 1 19 ALA H 4.590 . 4.590 2.279 1.854 2.818 . 0 0 "[ . 1 . 2]" 1
72 1 16 GLU QB 1 19 ALA MB 3.570 . 3.570 2.214 1.895 2.538 . 0 0 "[ . 1 . 2]" 1
73 1 16 GLU QB 1 20 ALA H 4.800 . 4.800 3.750 3.392 4.087 . 0 0 "[ . 1 . 2]" 1
74 1 16 GLU HG2 1 19 ALA MB 5.000 . 5.000 4.408 3.537 5.045 0.045 20 0 "[ . 1 . 2]" 1
75 1 16 GLU HG3 1 19 ALA MB 5.000 . 5.000 3.985 3.006 4.870 . 0 0 "[ . 1 . 2]" 1
76 1 16 GLU O 1 20 ALA H 2.000 . 2.000 1.908 1.743 2.052 0.052 5 0 "[ . 1 . 2]" 1
77 1 16 GLU O 1 20 ALA N 3.000 2.700 3.000 2.844 2.699 3.011 0.011 18 0 "[ . 1 . 2]" 1
78 1 17 GLN H 1 17 GLN HG2 3.940 . 3.940 3.235 2.214 3.894 . 0 0 "[ . 1 . 2]" 1
79 1 17 GLN H 1 17 GLN HG3 3.940 . 3.940 2.613 1.952 3.853 . 0 0 "[ . 1 . 2]" 1
80 1 17 GLN H 1 18 SER H 4.490 . 4.490 2.697 2.444 3.012 . 0 0 "[ . 1 . 2]" 1
81 1 17 GLN H 1 19 ALA MB 5.410 . 5.410 4.874 4.641 5.116 . 0 0 "[ . 1 . 2]" 1
82 1 17 GLN H 1 20 ALA MB 5.500 . 5.500 4.584 4.396 4.796 . 0 0 "[ . 1 . 2]" 1
83 1 17 GLN HA 1 17 GLN HG2 3.620 . 3.620 2.679 2.403 3.653 0.033 11 0 "[ . 1 . 2]" 1
84 1 17 GLN HA 1 17 GLN QG 3.160 . 3.160 2.512 2.308 2.887 . 0 0 "[ . 1 . 2]" 1
85 1 17 GLN HA 1 17 GLN HG3 3.620 . 3.620 3.193 2.494 3.718 0.098 20 0 "[ . 1 . 2]" 1
86 1 17 GLN HA 1 20 ALA MB 3.140 . 3.140 2.516 2.199 3.035 . 0 0 "[ . 1 . 2]" 1
87 1 17 GLN HA 1 21 ILE MD 5.130 . 5.130 4.605 4.203 5.058 . 0 0 "[ . 1 . 2]" 1
88 1 17 GLN QB 1 17 GLN QE 3.720 . 3.720 3.205 2.554 3.719 . 0 0 "[ . 1 . 2]" 1
89 1 17 GLN QB 1 18 SER H 3.510 . 3.510 2.502 2.113 2.854 . 0 0 "[ . 1 . 2]" 1
90 1 17 GLN QB 1 18 SER HA 4.550 . 4.550 3.856 3.690 4.075 . 0 0 "[ . 1 . 2]" 1
91 1 17 GLN QB 1 21 ILE H 5.050 . 5.050 4.544 4.290 4.901 . 0 0 "[ . 1 . 2]" 1
92 1 17 GLN QB 1 21 ILE MD 3.990 . 3.990 3.189 2.765 3.545 . 0 0 "[ . 1 . 2]" 1
93 1 17 GLN QG 1 18 SER H 4.500 . 4.500 4.051 3.740 4.334 . 0 0 "[ . 1 . 2]" 1
94 1 17 GLN QG 1 20 ALA MB 5.340 . 5.340 4.214 3.609 4.746 . 0 0 "[ . 1 . 2]" 1
95 1 17 GLN QG 1 21 ILE MD 5.340 . 5.340 4.852 4.339 5.365 0.025 10 0 "[ . 1 . 2]" 1
96 1 17 GLN HG2 1 18 SER H 5.140 . 5.140 4.811 4.227 5.106 . 0 0 "[ . 1 . 2]" 1
97 1 17 GLN HG3 1 18 SER H 5.140 . 5.140 4.428 3.917 5.109 . 0 0 "[ . 1 . 2]" 1
98 1 17 GLN O 1 21 ILE H 2.000 . 2.000 1.886 1.740 2.027 0.027 9 0 "[ . 1 . 2]" 1
99 1 17 GLN O 1 21 ILE N 3.000 2.700 3.000 2.827 2.693 2.973 0.007 20 0 "[ . 1 . 2]" 1
100 1 18 SER H 1 18 SER QB 3.550 . 3.550 2.495 2.182 2.673 . 0 0 "[ . 1 . 2]" 1
101 1 18 SER H 1 19 ALA H 4.550 . 4.550 2.733 2.609 2.850 . 0 0 "[ . 1 . 2]" 1
102 1 18 SER H 1 19 ALA MB 4.840 . 4.840 4.409 4.288 4.510 . 0 0 "[ . 1 . 2]" 1
103 1 18 SER H 1 20 ALA MB 5.270 . 5.270 4.739 4.553 4.985 . 0 0 "[ . 1 . 2]" 1
104 1 18 SER HA 1 18 SER QB 2.530 . 2.530 2.315 2.180 2.424 . 0 0 "[ . 1 . 2]" 1
105 1 18 SER HA 1 20 ALA H 4.560 . 4.560 4.479 4.319 4.580 0.020 12 0 "[ . 1 . 2]" 1
106 1 18 SER HA 1 21 ILE H 3.600 . 3.600 3.521 3.272 3.652 0.052 4 0 "[ . 1 . 2]" 1
107 1 18 SER HA 1 21 ILE MD 3.400 . 3.400 2.613 2.193 3.088 . 0 0 "[ . 1 . 2]" 1
108 1 18 SER HA 1 21 ILE QG 4.060 . 4.060 3.283 2.739 3.805 . 0 0 "[ . 1 . 2]" 1
109 1 18 SER HA 1 21 ILE MG 4.510 . 4.510 4.288 4.058 4.511 0.001 4 0 "[ . 1 . 2]" 1
110 1 18 SER HA 1 22 ARG H 4.500 . 4.500 4.148 4.043 4.291 . 0 0 "[ . 1 . 2]" 1
111 1 18 SER HA 1 22 ARG QD 4.740 . 4.740 4.601 4.155 4.809 0.069 18 0 "[ . 1 . 2]" 1
112 1 18 SER HA 1 38 ILE HB 5.500 . 5.500 5.082 4.635 5.471 . 0 0 "[ . 1 . 2]" 1
113 1 18 SER HA 1 38 ILE MD 2.970 . 2.970 2.372 1.977 2.736 . 0 0 "[ . 1 . 2]" 1
114 1 18 SER QB 1 19 ALA H 4.450 . 4.450 2.536 2.318 3.061 . 0 0 "[ . 1 . 2]" 1
115 1 18 SER QB 1 19 ALA MB 3.980 . 3.980 3.755 3.615 4.058 0.078 16 0 "[ . 1 . 2]" 1
116 1 18 SER QB 1 21 ILE H 5.020 . 5.020 4.917 4.713 5.028 0.008 15 0 "[ . 1 . 2]" 1
117 1 18 SER QB 1 21 ILE MD 4.710 . 4.710 4.224 3.719 4.725 0.015 17 0 "[ . 1 . 2]" 1
118 1 18 SER QB 1 38 ILE MD 3.500 . 3.500 2.404 2.018 3.385 . 0 0 "[ . 1 . 2]" 1
119 1 18 SER O 1 22 ARG H 2.000 . 2.000 2.015 1.949 2.066 0.066 19 0 "[ . 1 . 2]" 1
120 1 18 SER O 1 22 ARG N 3.000 2.700 3.000 2.946 2.891 3.009 0.009 19 0 "[ . 1 . 2]" 1
121 1 19 ALA H 1 19 ALA MB 3.020 . 3.020 2.239 2.192 2.281 . 0 0 "[ . 1 . 2]" 1
122 1 19 ALA H 1 20 ALA H 4.020 . 4.020 2.568 2.483 2.726 . 0 0 "[ . 1 . 2]" 1
123 1 19 ALA HA 1 21 ILE H 4.610 . 4.610 4.443 4.285 4.581 . 0 0 "[ . 1 . 2]" 1
124 1 19 ALA HA 1 22 ARG H 3.600 . 3.600 3.422 3.169 3.591 . 0 0 "[ . 1 . 2]" 1
125 1 19 ALA HA 1 22 ARG QD 4.360 . 4.360 2.510 1.975 3.924 . 0 0 "[ . 1 . 2]" 1
126 1 19 ALA HA 1 38 ILE MD 4.320 . 4.320 4.209 3.955 4.369 0.049 4 0 "[ . 1 . 2]" 1
127 1 19 ALA MB 1 23 GLU H 4.460 . 4.460 4.438 4.305 4.511 0.051 1 0 "[ . 1 . 2]" 1
128 1 19 ALA MB 1 23 GLU QG 4.360 . 4.360 3.484 3.261 4.251 . 0 0 "[ . 1 . 2]" 1
129 1 19 ALA O 1 23 GLU H 2.000 . 2.000 1.873 1.776 1.945 . 0 0 "[ . 1 . 2]" 1
130 1 19 ALA O 1 23 GLU N 3.000 2.700 3.000 2.821 2.712 2.907 . 0 0 "[ . 1 . 2]" 1
131 1 20 ALA H 1 20 ALA MB 2.590 . 2.590 2.232 2.201 2.257 . 0 0 "[ . 1 . 2]" 1
132 1 20 ALA H 1 21 ILE H 3.360 . 3.360 2.711 2.604 2.814 . 0 0 "[ . 1 . 2]" 1
133 1 20 ALA H 1 21 ILE QG 4.600 . 4.600 4.242 4.068 4.369 . 0 0 "[ . 1 . 2]" 1
134 1 20 ALA H 1 22 ARG H 4.930 . 4.930 4.107 3.940 4.221 . 0 0 "[ . 1 . 2]" 1
135 1 20 ALA HA 1 23 GLU H 3.600 . 3.600 3.409 3.128 3.622 0.022 18 0 "[ . 1 . 2]" 1
136 1 20 ALA MB 1 21 ILE H 2.880 . 2.880 2.529 2.426 2.646 . 0 0 "[ . 1 . 2]" 1
137 1 20 ALA MB 1 46 TYR QD 5.000 . 5.000 4.799 4.455 5.021 0.021 6 0 "[ . 1 . 2]" 1
138 1 20 ALA MB 1 46 TYR QE 3.760 . 3.760 3.213 2.866 3.405 . 0 0 "[ . 1 . 2]" 1
139 1 20 ALA O 1 24 TRP H 2.000 . 2.000 1.941 1.816 2.027 0.027 15 0 "[ . 1 . 2]" 1
140 1 20 ALA O 1 24 TRP N 3.000 2.700 3.000 2.864 2.746 2.970 . 0 0 "[ . 1 . 2]" 1
141 1 21 ILE H 1 21 ILE HB 3.060 . 3.060 2.602 2.505 2.681 . 0 0 "[ . 1 . 2]" 1
142 1 21 ILE H 1 21 ILE MD 3.660 . 3.660 3.615 3.581 3.656 . 0 0 "[ . 1 . 2]" 1
143 1 21 ILE H 1 21 ILE HG12 3.660 . 3.660 3.372 3.262 3.466 . 0 0 "[ . 1 . 2]" 1
144 1 21 ILE H 1 21 ILE QG 2.830 . 2.830 2.100 2.026 2.165 . 0 0 "[ . 1 . 2]" 1
145 1 21 ILE H 1 21 ILE HG13 3.660 . 3.660 2.122 2.046 2.187 . 0 0 "[ . 1 . 2]" 1
146 1 21 ILE H 1 21 ILE MG 3.930 . 3.930 3.803 3.778 3.816 . 0 0 "[ . 1 . 2]" 1
147 1 21 ILE H 1 22 ARG H 3.350 . 3.350 2.649 2.593 2.706 . 0 0 "[ . 1 . 2]" 1
148 1 21 ILE H 1 22 ARG QB 4.700 . 4.700 4.532 4.335 4.696 . 0 0 "[ . 1 . 2]" 1
149 1 21 ILE H 1 38 ILE MD 4.210 . 4.210 4.019 3.577 4.237 0.027 10 0 "[ . 1 . 2]" 1
150 1 21 ILE H 1 46 TYR QE 4.800 . 4.800 4.304 4.178 4.516 . 0 0 "[ . 1 . 2]" 1
151 1 21 ILE HA 1 21 ILE MD 4.010 . 4.010 3.871 3.852 3.885 . 0 0 "[ . 1 . 2]" 1
152 1 21 ILE HA 1 21 ILE QG 3.500 . 3.500 2.448 2.426 2.474 . 0 0 "[ . 1 . 2]" 1
153 1 21 ILE HA 1 21 ILE MG 3.220 . 3.220 2.408 2.382 2.427 . 0 0 "[ . 1 . 2]" 1
154 1 21 ILE HA 1 23 GLU H 4.780 . 4.780 4.510 4.396 4.662 . 0 0 "[ . 1 . 2]" 1
155 1 21 ILE HA 1 24 TRP H 3.600 . 3.600 3.404 3.261 3.590 . 0 0 "[ . 1 . 2]" 1
156 1 21 ILE HA 1 24 TRP HB2 4.080 . 4.080 3.473 3.216 3.670 . 0 0 "[ . 1 . 2]" 1
157 1 21 ILE HA 1 24 TRP QB 3.390 . 3.390 2.468 2.295 2.612 . 0 0 "[ . 1 . 2]" 1
158 1 21 ILE HA 1 24 TRP HB3 4.080 . 4.080 2.526 2.339 2.676 . 0 0 "[ . 1 . 2]" 1
159 1 21 ILE HA 1 24 TRP HE3 4.220 . 4.220 3.968 3.704 4.229 0.009 16 0 "[ . 1 . 2]" 1
160 1 21 ILE HA 1 38 ILE MG 4.930 . 4.930 4.895 4.784 4.959 0.029 20 0 "[ . 1 . 2]" 1
161 1 21 ILE HA 1 46 TYR QB 4.600 . 4.600 3.574 3.352 3.884 . 0 0 "[ . 1 . 2]" 1
162 1 21 ILE HA 1 46 TYR QD 3.950 . 3.950 2.703 2.458 2.873 . 0 0 "[ . 1 . 2]" 1
163 1 21 ILE HA 1 46 TYR QE 3.720 . 3.720 2.916 2.589 3.141 . 0 0 "[ . 1 . 2]" 1
164 1 21 ILE HB 1 22 ARG H 3.160 . 3.160 2.615 2.516 2.774 . 0 0 "[ . 1 . 2]" 1
165 1 21 ILE HB 1 24 TRP QB 5.340 . 5.340 5.050 4.902 5.139 . 0 0 "[ . 1 . 2]" 1
166 1 21 ILE MD 1 38 ILE MD 3.270 . 3.270 2.773 2.392 3.211 . 0 0 "[ . 1 . 2]" 1
167 1 21 ILE MD 1 43 ILE HA 3.860 . 3.860 2.631 2.268 2.962 . 0 0 "[ . 1 . 2]" 1
168 1 21 ILE MD 1 43 ILE QG 3.230 . 3.230 2.183 2.006 2.402 . 0 0 "[ . 1 . 2]" 1
169 1 21 ILE MD 1 43 ILE MG 3.400 . 3.400 2.178 1.939 2.383 . 0 0 "[ . 1 . 2]" 1
170 1 21 ILE MD 1 46 TYR HB2 4.740 . 4.740 4.138 3.854 4.415 . 0 0 "[ . 1 . 2]" 1
171 1 21 ILE MD 1 46 TYR QB 4.100 . 4.100 3.400 3.166 3.710 . 0 0 "[ . 1 . 2]" 1
172 1 21 ILE MD 1 46 TYR HB3 4.740 . 4.740 3.617 3.356 3.988 . 0 0 "[ . 1 . 2]" 1
173 1 21 ILE MD 1 46 TYR QD 3.970 . 3.970 3.348 3.172 3.610 . 0 0 "[ . 1 . 2]" 1
174 1 21 ILE MD 1 46 TYR QE 4.150 . 4.150 3.757 3.562 3.980 . 0 0 "[ . 1 . 2]" 1
175 1 21 ILE MD 1 47 HIS HE1 4.900 . 4.900 4.427 3.875 4.905 0.005 16 0 "[ . 1 . 2]" 1
176 1 21 ILE QG 1 22 ARG H 4.430 . 4.430 3.968 3.879 4.075 . 0 0 "[ . 1 . 2]" 1
177 1 21 ILE QG 1 43 ILE MD 5.290 . 5.290 5.081 4.869 5.272 . 0 0 "[ . 1 . 2]" 1
178 1 21 ILE QG 1 43 ILE MG 4.600 . 4.600 3.823 3.638 4.030 . 0 0 "[ . 1 . 2]" 1
179 1 21 ILE QG 1 46 TYR QE 3.770 . 3.770 3.062 2.860 3.213 . 0 0 "[ . 1 . 2]" 1
180 1 21 ILE HG12 1 21 ILE MG 3.660 . 3.660 2.374 2.329 2.400 . 0 0 "[ . 1 . 2]" 1
181 1 21 ILE HG12 1 46 TYR QD 4.500 . 4.500 2.891 2.703 3.119 . 0 0 "[ . 1 . 2]" 1
182 1 21 ILE HG12 1 46 TYR QE 4.350 . 4.350 3.234 2.973 3.440 . 0 0 "[ . 1 . 2]" 1
183 1 21 ILE HG13 1 21 ILE MG 3.660 . 3.660 3.202 3.188 3.207 . 0 0 "[ . 1 . 2]" 1
184 1 21 ILE HG13 1 46 TYR QD 4.500 . 4.500 4.175 3.955 4.400 . 0 0 "[ . 1 . 2]" 1
185 1 21 ILE HG13 1 46 TYR QE 4.350 . 4.350 3.800 3.682 3.942 . 0 0 "[ . 1 . 2]" 1
186 1 21 ILE MG 1 22 ARG H 3.850 . 3.850 3.490 3.400 3.584 . 0 0 "[ . 1 . 2]" 1
187 1 21 ILE MG 1 22 ARG HA 4.070 . 4.070 3.536 3.409 3.644 . 0 0 "[ . 1 . 2]" 1
188 1 21 ILE MG 1 24 TRP H 4.980 . 4.980 4.673 4.555 4.803 . 0 0 "[ . 1 . 2]" 1
189 1 21 ILE MG 1 24 TRP QB 4.420 . 4.420 3.541 3.320 3.748 . 0 0 "[ . 1 . 2]" 1
190 1 21 ILE MG 1 24 TRP HE3 3.740 . 3.740 3.368 3.081 3.544 . 0 0 "[ . 1 . 2]" 1
191 1 21 ILE MG 1 24 TRP HZ3 4.550 . 4.550 4.295 3.931 4.518 . 0 0 "[ . 1 . 2]" 1
192 1 21 ILE MG 1 25 ALA MB 4.040 . 4.040 3.139 2.987 3.451 . 0 0 "[ . 1 . 2]" 1
193 1 21 ILE MG 1 38 ILE HB 4.630 . 4.630 3.964 3.700 4.162 . 0 0 "[ . 1 . 2]" 1
194 1 21 ILE MG 1 38 ILE MD 3.130 . 3.130 2.673 2.239 3.124 . 0 0 "[ . 1 . 2]" 1
195 1 21 ILE MG 1 38 ILE QG 4.770 . 4.770 4.006 3.618 4.337 . 0 0 "[ . 1 . 2]" 1
196 1 21 ILE MG 1 38 ILE MG 3.180 . 3.180 2.015 1.938 2.140 . 0 0 "[ . 1 . 2]" 1
197 1 21 ILE MG 1 42 VAL HB 4.750 . 4.750 3.598 3.493 3.841 . 0 0 "[ . 1 . 2]" 1
198 1 21 ILE MG 1 42 VAL QG 3.300 . 3.300 2.209 2.124 2.381 . 0 0 "[ . 1 . 2]" 1
199 1 21 ILE MG 1 43 ILE HA 3.650 . 3.650 2.416 2.242 2.580 . 0 0 "[ . 1 . 2]" 1
200 1 21 ILE MG 1 43 ILE QG 4.110 . 4.110 2.311 2.113 2.582 . 0 0 "[ . 1 . 2]" 1
201 1 21 ILE MG 1 46 TYR H 4.790 . 4.790 4.107 3.997 4.281 . 0 0 "[ . 1 . 2]" 1
202 1 21 ILE MG 1 46 TYR HB2 3.820 . 3.820 2.281 2.096 2.441 . 0 0 "[ . 1 . 2]" 1
203 1 21 ILE MG 1 46 TYR QB 3.350 . 3.350 2.210 2.038 2.353 . 0 0 "[ . 1 . 2]" 1
204 1 21 ILE MG 1 46 TYR HB3 3.820 . 3.820 2.972 2.781 3.220 . 0 0 "[ . 1 . 2]" 1
205 1 21 ILE MG 1 46 TYR QD 3.950 . 3.950 3.118 2.857 3.265 . 0 0 "[ . 1 . 2]" 1
206 1 21 ILE MG 1 46 TYR QE 4.340 . 4.340 4.237 4.039 4.374 0.034 2 0 "[ . 1 . 2]" 1
207 1 21 ILE O 1 25 ALA H 2.000 . 2.000 1.839 1.775 2.003 0.003 9 0 "[ . 1 . 2]" 1
208 1 21 ILE O 1 25 ALA N 3.000 2.700 3.000 2.777 2.710 2.927 . 0 0 "[ . 1 . 2]" 1
209 1 22 ARG H 1 22 ARG HB2 3.560 . 3.560 2.360 2.209 2.491 . 0 0 "[ . 1 . 2]" 1
210 1 22 ARG H 1 22 ARG QB 2.870 . 2.870 2.328 2.186 2.446 . 0 0 "[ . 1 . 2]" 1
211 1 22 ARG H 1 22 ARG HB3 3.560 . 3.560 3.567 3.497 3.594 0.034 18 0 "[ . 1 . 2]" 1
212 1 22 ARG H 1 22 ARG QD 4.730 . 4.730 3.633 3.312 4.244 . 0 0 "[ . 1 . 2]" 1
213 1 22 ARG H 1 22 ARG QG 3.680 . 3.680 2.405 1.968 2.670 . 0 0 "[ . 1 . 2]" 1
214 1 22 ARG H 1 23 GLU H 3.410 . 3.410 2.704 2.641 2.764 . 0 0 "[ . 1 . 2]" 1
215 1 22 ARG H 1 23 GLU QB 4.600 . 4.600 4.602 4.462 4.661 0.061 8 0 "[ . 1 . 2]" 1
216 1 22 ARG H 1 38 ILE MD 4.400 . 4.400 3.127 2.868 3.276 . 0 0 "[ . 1 . 2]" 1
217 1 22 ARG HA 1 22 ARG HD2 4.820 . 4.820 4.672 4.344 4.773 . 0 0 "[ . 1 . 2]" 1
218 1 22 ARG HA 1 22 ARG QD 4.070 . 4.070 4.092 3.974 4.135 0.065 7 0 "[ . 1 . 2]" 1
219 1 22 ARG HA 1 22 ARG HD3 4.820 . 4.820 4.529 4.374 4.751 . 0 0 "[ . 1 . 2]" 1
220 1 22 ARG HA 1 22 ARG HG2 3.880 . 3.880 2.549 2.438 2.760 . 0 0 "[ . 1 . 2]" 1
221 1 22 ARG HA 1 22 ARG QG 3.400 . 3.400 2.349 2.305 2.420 . 0 0 "[ . 1 . 2]" 1
222 1 22 ARG HA 1 22 ARG HG3 3.880 . 3.880 2.779 2.518 3.058 . 0 0 "[ . 1 . 2]" 1
223 1 22 ARG HA 1 25 ALA H 3.600 . 3.600 3.451 3.157 3.612 0.012 7 0 "[ . 1 . 2]" 1
224 1 22 ARG HA 1 25 ALA MB 3.110 . 3.110 2.424 2.076 2.631 . 0 0 "[ . 1 . 2]" 1
225 1 22 ARG HA 1 26 ARG H 4.360 . 4.360 4.062 3.789 4.334 . 0 0 "[ . 1 . 2]" 1
226 1 22 ARG HA 1 32 VAL HB 4.590 . 4.590 3.769 2.949 4.626 0.036 20 0 "[ . 1 . 2]" 1
227 1 22 ARG HA 1 32 VAL MG1 4.000 . 4.000 3.218 2.615 3.751 . 0 0 "[ . 1 . 2]" 1
228 1 22 ARG HA 1 32 VAL MG2 4.000 . 4.000 3.238 2.302 3.995 . 0 0 "[ . 1 . 2]" 1
229 1 22 ARG HA 1 38 ILE MD 3.890 . 3.890 3.831 3.598 3.926 0.036 5 0 "[ . 1 . 2]" 1
230 1 22 ARG HA 1 38 ILE MG 4.240 . 4.240 3.894 3.560 4.290 0.050 15 0 "[ . 1 . 2]" 1
231 1 22 ARG HA 1 42 VAL QG 4.670 . 4.670 3.994 3.701 4.215 . 0 0 "[ . 1 . 2]" 1
232 1 22 ARG QB 1 22 ARG QD 3.170 . 3.170 2.295 2.064 2.439 . 0 0 "[ . 1 . 2]" 1
233 1 22 ARG QB 1 23 GLU QB 4.740 . 4.740 4.362 4.071 4.640 . 0 0 "[ . 1 . 2]" 1
234 1 22 ARG QB 1 24 TRP H 5.000 . 5.000 4.692 4.484 4.789 . 0 0 "[ . 1 . 2]" 1
235 1 22 ARG QB 1 32 VAL QG 4.340 . 4.340 3.503 3.003 4.082 . 0 0 "[ . 1 . 2]" 1
236 1 22 ARG HB2 1 23 GLU H 3.530 . 3.530 2.606 2.402 2.790 . 0 0 "[ . 1 . 2]" 1
237 1 22 ARG HB3 1 23 GLU H 3.530 . 3.530 3.438 3.129 3.581 0.051 4 0 "[ . 1 . 2]" 1
238 1 22 ARG QD 1 38 ILE MD 4.580 . 4.580 2.650 2.317 3.340 . 0 0 "[ . 1 . 2]" 1
239 1 22 ARG QD 1 38 ILE MG 4.600 . 4.600 4.548 4.273 4.688 0.088 3 0 "[ . 1 . 2]" 1
240 1 22 ARG HE 1 38 ILE MD 4.800 . 4.800 4.435 1.948 4.879 0.079 17 0 "[ . 1 . 2]" 1
241 1 22 ARG QG 1 23 GLU H 4.570 . 4.570 4.172 3.873 4.261 . 0 0 "[ . 1 . 2]" 1
242 1 22 ARG QG 1 32 VAL QG 4.100 . 4.100 2.197 1.923 2.896 . 0 0 "[ . 1 . 2]" 1
243 1 22 ARG QG 1 38 ILE MD 3.730 . 3.730 2.043 1.909 2.113 . 0 0 "[ . 1 . 2]" 1
244 1 22 ARG QG 1 38 ILE MG 4.000 . 4.000 3.269 2.999 3.496 . 0 0 "[ . 1 . 2]" 1
245 1 22 ARG O 1 26 ARG H 2.000 . 2.000 1.966 1.841 2.031 0.031 14 0 "[ . 1 . 2]" 1
246 1 22 ARG O 1 26 ARG N 3.000 2.700 3.000 2.899 2.780 2.985 . 0 0 "[ . 1 . 2]" 1
247 1 23 GLU H 1 23 GLU QG 3.370 . 3.370 2.397 2.118 3.474 0.104 18 0 "[ . 1 . 2]" 1
248 1 23 GLU H 1 24 TRP H 3.320 . 3.320 2.726 2.624 2.807 . 0 0 "[ . 1 . 2]" 1
249 1 23 GLU H 1 24 TRP QB 4.930 . 4.930 4.359 4.242 4.483 . 0 0 "[ . 1 . 2]" 1
250 1 23 GLU H 1 25 ALA H 4.720 . 4.720 4.094 3.987 4.188 . 0 0 "[ . 1 . 2]" 1
251 1 23 GLU HA 1 23 GLU QG 3.540 . 3.540 2.558 2.207 2.980 . 0 0 "[ . 1 . 2]" 1
252 1 23 GLU HA 1 25 ALA H 4.950 . 4.950 4.417 4.094 4.587 . 0 0 "[ . 1 . 2]" 1
253 1 23 GLU HA 1 26 ARG H 3.600 . 3.600 3.396 2.838 3.641 0.041 15 0 "[ . 1 . 2]" 1
254 1 23 GLU QB 1 24 TRP H 3.140 . 3.140 2.577 2.350 2.948 . 0 0 "[ . 1 . 2]" 1
255 1 23 GLU HG2 1 24 TRP H 5.500 . 5.500 4.789 4.204 5.213 . 0 0 "[ . 1 . 2]" 1
256 1 23 GLU HG3 1 24 TRP H 5.500 . 5.500 4.667 4.314 5.382 . 0 0 "[ . 1 . 2]" 1
257 1 23 GLU O 1 27 ARG H 2.000 . 2.000 1.960 1.883 2.032 0.032 2 0 "[ . 1 . 2]" 1
258 1 23 GLU O 1 27 ARG N 3.000 2.700 3.000 2.865 2.778 2.945 . 0 0 "[ . 1 . 2]" 1
259 1 24 TRP H 1 24 TRP HB2 3.030 . 3.030 2.526 2.447 2.631 . 0 0 "[ . 1 . 2]" 1
260 1 24 TRP H 1 24 TRP HB3 3.030 . 3.030 2.342 2.310 2.367 . 0 0 "[ . 1 . 2]" 1
261 1 24 TRP H 1 24 TRP HE3 4.290 . 4.290 4.373 4.340 4.395 0.105 6 0 "[ . 1 . 2]" 1
262 1 24 TRP H 1 25 ALA H 3.340 . 3.340 2.570 2.494 2.635 . 0 0 "[ . 1 . 2]" 1
263 1 24 TRP H 1 25 ALA MB 4.260 . 4.260 4.155 4.039 4.261 0.001 7 0 "[ . 1 . 2]" 1
264 1 24 TRP H 1 26 ARG H 4.480 . 4.480 4.127 3.969 4.344 . 0 0 "[ . 1 . 2]" 1
265 1 24 TRP H 1 27 ARG H 4.670 . 4.670 4.640 4.565 4.715 0.045 5 0 "[ . 1 . 2]" 1
266 1 24 TRP H 1 46 TYR QD 4.400 . 4.400 4.389 4.203 4.433 0.033 19 0 "[ . 1 . 2]" 1
267 1 24 TRP H 1 46 TYR QE 4.400 . 4.400 4.004 3.658 4.213 . 0 0 "[ . 1 . 2]" 1
268 1 24 TRP HA 1 24 TRP HD1 3.790 . 3.790 3.357 3.254 3.437 . 0 0 "[ . 1 . 2]" 1
269 1 24 TRP HA 1 24 TRP HE3 4.690 . 4.690 4.455 4.363 4.567 . 0 0 "[ . 1 . 2]" 1
270 1 24 TRP HA 1 27 ARG H 3.600 . 3.600 3.403 3.320 3.524 . 0 0 "[ . 1 . 2]" 1
271 1 24 TRP HA 1 27 ARG QB 3.480 . 3.480 2.611 2.341 2.920 . 0 0 "[ . 1 . 2]" 1
272 1 24 TRP HA 1 27 ARG QG 4.290 . 4.290 3.011 2.539 3.738 . 0 0 "[ . 1 . 2]" 1
273 1 24 TRP HA 1 28 ASN QB 5.230 . 5.230 4.948 4.711 5.179 . 0 0 "[ . 1 . 2]" 1
274 1 24 TRP HA 1 28 ASN QD 4.160 . 4.160 3.179 2.970 3.397 . 0 0 "[ . 1 . 2]" 1
275 1 24 TRP QB 1 24 TRP HD1 3.150 . 3.150 2.603 2.561 2.636 . 0 0 "[ . 1 . 2]" 1
276 1 24 TRP QB 1 24 TRP HE1 4.680 . 4.680 4.420 4.392 4.444 . 0 0 "[ . 1 . 2]" 1
277 1 24 TRP QB 1 24 TRP HE3 3.310 . 3.310 2.497 2.462 2.567 . 0 0 "[ . 1 . 2]" 1
278 1 24 TRP QB 1 25 ALA H 3.820 . 3.820 2.458 2.392 2.522 . 0 0 "[ . 1 . 2]" 1
279 1 24 TRP QB 1 46 TYR QD 3.380 . 3.380 2.173 2.062 2.222 . 0 0 "[ . 1 . 2]" 1
280 1 24 TRP QB 1 46 TYR QE 3.150 . 3.150 2.247 2.034 2.399 . 0 0 "[ . 1 . 2]" 1
281 1 24 TRP HB2 1 46 TYR QD 3.900 . 3.900 2.827 2.768 2.941 . 0 0 "[ . 1 . 2]" 1
282 1 24 TRP HB2 1 46 TYR QE 3.620 . 3.620 2.319 2.094 2.502 . 0 0 "[ . 1 . 2]" 1
283 1 24 TRP HB3 1 46 TYR QD 3.900 . 3.900 2.259 2.125 2.309 . 0 0 "[ . 1 . 2]" 1
284 1 24 TRP HB3 1 46 TYR QE 3.620 . 3.620 3.018 2.758 3.146 . 0 0 "[ . 1 . 2]" 1
285 1 24 TRP HD1 1 27 ARG QB 4.850 . 4.850 4.680 4.313 4.881 0.031 5 0 "[ . 1 . 2]" 1
286 1 24 TRP HD1 1 28 ASN QD 4.100 . 4.100 3.330 3.013 3.702 . 0 0 "[ . 1 . 2]" 1
287 1 24 TRP HD1 1 46 TYR QD 4.460 . 4.460 3.758 3.549 3.929 . 0 0 "[ . 1 . 2]" 1
288 1 24 TRP HD1 1 46 TYR QE 4.140 . 4.140 3.711 3.479 4.021 . 0 0 "[ . 1 . 2]" 1
289 1 24 TRP HD1 1 49 ALA MB 4.900 . 4.900 4.455 3.956 4.849 . 0 0 "[ . 1 . 2]" 1
290 1 24 TRP HD1 1 50 THR HB 4.140 . 4.140 3.913 3.195 4.235 0.095 5 0 "[ . 1 . 2]" 1
291 1 24 TRP HD1 1 50 THR MG 4.000 . 4.000 3.731 3.089 4.021 0.021 4 0 "[ . 1 . 2]" 1
292 1 24 TRP HE1 1 28 ASN QD 3.570 . 3.570 2.924 2.704 3.137 . 0 0 "[ . 1 . 2]" 1
293 1 24 TRP HE1 1 49 ALA MB 3.310 . 3.310 2.492 2.093 2.839 . 0 0 "[ . 1 . 2]" 1
294 1 24 TRP HE1 1 50 THR MG 4.400 . 4.400 4.220 3.743 4.423 0.023 16 0 "[ . 1 . 2]" 1
295 1 24 TRP HE3 1 25 ALA H 3.830 . 3.830 2.655 2.577 2.736 . 0 0 "[ . 1 . 2]" 1
296 1 24 TRP HE3 1 25 ALA HA 3.100 . 3.100 2.624 2.509 2.840 . 0 0 "[ . 1 . 2]" 1
297 1 24 TRP HE3 1 25 ALA MB 3.200 . 3.200 2.843 2.730 2.923 . 0 0 "[ . 1 . 2]" 1
298 1 24 TRP HE3 1 26 ARG H 5.500 . 5.500 5.026 4.892 5.156 . 0 0 "[ . 1 . 2]" 1
299 1 24 TRP HE3 1 30 HIS QB 4.960 . 4.960 4.504 4.319 4.653 . 0 0 "[ . 1 . 2]" 1
300 1 24 TRP HE3 1 42 VAL MG1 4.840 . 4.840 2.766 2.713 2.814 . 0 0 "[ . 1 . 2]" 1
301 1 24 TRP HE3 1 42 VAL QG 3.580 . 3.580 2.751 2.699 2.797 . 0 0 "[ . 1 . 2]" 1
302 1 24 TRP HE3 1 42 VAL MG2 4.840 . 4.840 4.887 4.860 4.906 0.066 15 0 "[ . 1 . 2]" 1
303 1 24 TRP HE3 1 46 TYR HA 4.770 . 4.770 4.139 3.959 4.325 . 0 0 "[ . 1 . 2]" 1
304 1 24 TRP HE3 1 46 TYR QB 3.830 . 3.830 3.265 3.051 3.555 . 0 0 "[ . 1 . 2]" 1
305 1 24 TRP HE3 1 46 TYR QD 3.710 . 3.710 3.141 3.055 3.242 . 0 0 "[ . 1 . 2]" 1
306 1 24 TRP HE3 1 46 TYR QE 5.030 . 5.030 5.050 4.897 5.100 0.070 3 0 "[ . 1 . 2]" 1
307 1 24 TRP HH2 1 42 VAL HA 4.870 . 4.870 4.349 4.106 4.553 . 0 0 "[ . 1 . 2]" 1
308 1 24 TRP HH2 1 42 VAL QG 4.560 . 4.560 3.979 3.818 4.178 . 0 0 "[ . 1 . 2]" 1
309 1 24 TRP HH2 1 45 ALA HA 5.050 . 5.050 4.198 4.040 4.359 . 0 0 "[ . 1 . 2]" 1
310 1 24 TRP HH2 1 45 ALA MB 2.880 . 2.880 2.020 1.906 2.197 . 0 0 "[ . 1 . 2]" 1
311 1 24 TRP HH2 1 46 TYR H 4.800 . 4.800 3.861 3.734 4.089 . 0 0 "[ . 1 . 2]" 1
312 1 24 TRP HH2 1 46 TYR HA 4.800 . 4.800 3.772 3.565 3.948 . 0 0 "[ . 1 . 2]" 1
313 1 24 TRP HH2 1 46 TYR QB 4.760 . 4.760 4.528 4.367 4.715 . 0 0 "[ . 1 . 2]" 1
314 1 24 TRP HH2 1 49 ALA MB 4.000 . 4.000 3.737 3.483 4.020 0.020 15 0 "[ . 1 . 2]" 1
315 1 24 TRP HZ2 1 45 ALA MB 4.300 . 4.300 3.623 3.291 3.888 . 0 0 "[ . 1 . 2]" 1
316 1 24 TRP HZ2 1 46 TYR HA 4.740 . 4.740 3.407 3.169 3.600 . 0 0 "[ . 1 . 2]" 1
317 1 24 TRP HZ2 1 46 TYR QB 5.340 . 5.340 5.045 4.882 5.206 . 0 0 "[ . 1 . 2]" 1
318 1 24 TRP HZ2 1 49 ALA MB 2.910 . 2.910 2.113 1.994 2.221 . 0 0 "[ . 1 . 2]" 1
319 1 24 TRP HZ3 1 25 ALA HA 3.880 . 3.880 3.374 3.172 3.607 . 0 0 "[ . 1 . 2]" 1
320 1 24 TRP HZ3 1 25 ALA MB 3.940 . 3.940 3.763 3.584 3.903 . 0 0 "[ . 1 . 2]" 1
321 1 24 TRP HZ3 1 30 HIS QB 4.200 . 4.200 4.064 3.731 4.229 0.029 15 0 "[ . 1 . 2]" 1
322 1 24 TRP HZ3 1 42 VAL HA 4.210 . 4.210 3.203 3.016 3.331 . 0 0 "[ . 1 . 2]" 1
323 1 24 TRP HZ3 1 42 VAL MG1 4.470 . 4.470 2.058 1.931 2.256 . 0 0 "[ . 1 . 2]" 1
324 1 24 TRP HZ3 1 42 VAL QG 3.130 . 3.130 2.047 1.923 2.239 . 0 0 "[ . 1 . 2]" 1
325 1 24 TRP HZ3 1 42 VAL MG2 4.470 . 4.470 3.633 3.521 3.805 . 0 0 "[ . 1 . 2]" 1
326 1 24 TRP HZ3 1 45 ALA MB 3.560 . 3.560 2.843 2.692 3.007 . 0 0 "[ . 1 . 2]" 1
327 1 24 TRP HZ3 1 46 TYR H 4.400 . 4.400 3.789 3.544 3.993 . 0 0 "[ . 1 . 2]" 1
328 1 24 TRP HZ3 1 46 TYR HA 4.700 . 4.700 4.117 3.857 4.324 . 0 0 "[ . 1 . 2]" 1
329 1 24 TRP HZ3 1 46 TYR QB 4.150 . 4.150 3.649 3.442 3.913 . 0 0 "[ . 1 . 2]" 1
330 1 24 TRP HZ3 1 46 TYR QD 4.870 . 4.870 4.721 4.623 4.811 . 0 0 "[ . 1 . 2]" 1
331 1 24 TRP O 1 28 ASN H 2.000 . 2.000 2.011 1.929 2.051 0.051 1 0 "[ . 1 . 2]" 1
332 1 24 TRP O 1 28 ASN N 3.000 2.700 3.000 2.871 2.830 2.946 . 0 0 "[ . 1 . 2]" 1
333 1 25 ALA H 1 25 ALA MB 3.190 . 3.190 2.192 2.162 2.219 . 0 0 "[ . 1 . 2]" 1
334 1 25 ALA H 1 26 ARG H 3.430 . 3.430 2.759 2.698 2.816 . 0 0 "[ . 1 . 2]" 1
335 1 25 ALA HA 1 27 ARG H 4.680 . 4.680 4.428 4.286 4.547 . 0 0 "[ . 1 . 2]" 1
336 1 25 ALA HA 1 28 ASN H 3.600 . 3.600 3.571 3.462 3.650 0.050 7 0 "[ . 1 . 2]" 1
337 1 25 ALA HA 1 28 ASN QB 4.410 . 4.410 2.986 2.875 3.139 . 0 0 "[ . 1 . 2]" 1
338 1 25 ALA HA 1 28 ASN QD 4.680 . 4.680 3.772 3.567 3.963 . 0 0 "[ . 1 . 2]" 1
339 1 25 ALA HA 1 30 HIS QB 3.460 . 3.460 2.475 2.322 2.677 . 0 0 "[ . 1 . 2]" 1
340 1 25 ALA HA 1 30 HIS HD2 3.230 . 3.230 2.574 2.211 2.828 . 0 0 "[ . 1 . 2]" 1
341 1 25 ALA HA 1 42 VAL MG1 4.690 . 4.690 3.135 2.971 3.309 . 0 0 "[ . 1 . 2]" 1
342 1 25 ALA HA 1 42 VAL QG 3.810 . 3.810 3.075 2.920 3.235 . 0 0 "[ . 1 . 2]" 1
343 1 25 ALA HA 1 42 VAL MG2 4.690 . 4.690 4.452 4.295 4.566 . 0 0 "[ . 1 . 2]" 1
344 1 25 ALA MB 1 26 ARG H 2.990 . 2.990 2.339 2.193 2.449 . 0 0 "[ . 1 . 2]" 1
345 1 25 ALA MB 1 30 HIS HA 5.010 . 5.010 4.485 4.276 4.606 . 0 0 "[ . 1 . 2]" 1
346 1 25 ALA MB 1 30 HIS HB2 3.500 . 3.500 1.947 1.878 2.000 . 0 0 "[ . 1 . 2]" 1
347 1 25 ALA MB 1 30 HIS QB 2.960 . 2.960 1.921 1.849 1.977 . 0 0 "[ . 1 . 2]" 1
348 1 25 ALA MB 1 30 HIS HB3 3.500 . 3.500 2.954 2.774 3.100 . 0 0 "[ . 1 . 2]" 1
349 1 25 ALA MB 1 30 HIS HD2 3.930 . 3.930 3.821 3.573 3.966 0.036 20 0 "[ . 1 . 2]" 1
350 1 25 ALA MB 1 32 VAL H 3.940 . 3.940 3.725 3.218 3.974 0.034 2 0 "[ . 1 . 2]" 1
351 1 25 ALA MB 1 32 VAL HB 4.150 . 4.150 3.106 2.357 4.234 0.084 7 0 "[ . 1 . 2]" 1
352 1 25 ALA MB 1 32 VAL MG1 3.620 . 3.620 3.430 1.972 3.702 0.082 9 0 "[ . 1 . 2]" 1
353 1 25 ALA MB 1 32 VAL QG 2.880 . 2.880 2.008 1.904 2.167 . 0 0 "[ . 1 . 2]" 1
354 1 25 ALA MB 1 32 VAL MG2 3.620 . 3.620 2.054 1.909 2.556 . 0 0 "[ . 1 . 2]" 1
355 1 25 ALA MB 1 42 VAL HB 4.340 . 4.340 4.209 4.053 4.364 0.024 15 0 "[ . 1 . 2]" 1
356 1 25 ALA MB 1 42 VAL QG 2.890 . 2.890 1.986 1.859 2.117 . 0 0 "[ . 1 . 2]" 1
357 1 25 ALA O 1 29 GLY H 2.000 . 2.000 1.988 1.860 2.059 0.059 9 0 "[ . 1 . 2]" 1
358 1 25 ALA O 1 29 GLY N 3.000 2.700 3.000 2.750 2.705 2.797 . 0 0 "[ . 1 . 2]" 1
359 1 25 ALA O 1 30 HIS H 2.000 . 2.000 1.762 1.721 1.851 . 0 0 "[ . 1 . 2]" 1
360 1 25 ALA O 1 30 HIS N 3.000 2.700 3.000 2.726 2.698 2.764 0.002 20 0 "[ . 1 . 2]" 1
361 1 26 ARG H 1 26 ARG QD 4.650 . 4.650 3.802 3.152 4.416 . 0 0 "[ . 1 . 2]" 1
362 1 26 ARG H 1 26 ARG HE 5.500 . 5.500 4.749 3.422 5.257 . 0 0 "[ . 1 . 2]" 1
363 1 26 ARG H 1 26 ARG QG 3.220 . 3.220 2.450 2.116 2.857 . 0 0 "[ . 1 . 2]" 1
364 1 26 ARG H 1 27 ARG H 3.220 . 3.220 2.657 2.555 2.743 . 0 0 "[ . 1 . 2]" 1
365 1 26 ARG H 1 28 ASN H 4.640 . 4.640 4.075 3.973 4.205 . 0 0 "[ . 1 . 2]" 1
366 1 26 ARG H 1 28 ASN QB 5.170 . 5.170 5.201 5.136 5.229 0.059 10 0 "[ . 1 . 2]" 1
367 1 26 ARG H 1 32 VAL QG 4.800 . 4.800 4.443 3.625 4.782 . 0 0 "[ . 1 . 2]" 1
368 1 26 ARG H 1 42 VAL QG 5.500 . 5.500 5.007 4.770 5.162 . 0 0 "[ . 1 . 2]" 1
369 1 26 ARG HA 1 26 ARG QB 2.630 . 2.630 2.398 2.353 2.454 . 0 0 "[ . 1 . 2]" 1
370 1 26 ARG HA 1 26 ARG QD 3.650 . 3.650 2.753 1.860 3.815 0.165 15 0 "[ . 1 . 2]" 1
371 1 26 ARG HA 1 26 ARG QG 3.170 . 3.170 2.659 2.152 3.057 . 0 0 "[ . 1 . 2]" 1
372 1 26 ARG HA 1 29 GLY H 3.600 . 3.600 3.270 2.982 3.506 . 0 0 "[ . 1 . 2]" 1
373 1 26 ARG HA 1 29 GLY QA 4.650 . 4.650 3.770 3.543 3.973 . 0 0 "[ . 1 . 2]" 1
374 1 26 ARG HA 1 30 HIS H 4.120 . 4.120 3.496 3.360 3.785 . 0 0 "[ . 1 . 2]" 1
375 1 26 ARG HA 1 30 HIS QB 4.590 . 4.590 4.549 4.322 4.652 0.062 19 0 "[ . 1 . 2]" 1
376 1 26 ARG QB 1 26 ARG QD 3.090 . 3.090 2.344 2.019 2.949 . 0 0 "[ . 1 . 2]" 1
377 1 26 ARG QB 1 27 ARG H 3.780 . 3.780 2.740 2.393 3.060 . 0 0 "[ . 1 . 2]" 1
378 1 26 ARG QB 1 28 ASN H 5.340 . 5.340 4.674 4.482 4.793 . 0 0 "[ . 1 . 2]" 1
379 1 27 ARG H 1 27 ARG HD2 5.500 . 5.500 4.416 3.803 4.861 . 0 0 "[ . 1 . 2]" 1
380 1 27 ARG H 1 27 ARG HD3 5.500 . 5.500 4.121 3.027 5.081 . 0 0 "[ . 1 . 2]" 1
381 1 27 ARG H 1 27 ARG QG 3.540 . 3.540 2.346 2.052 2.604 . 0 0 "[ . 1 . 2]" 1
382 1 27 ARG H 1 28 ASN H 3.340 . 3.340 2.570 2.375 2.660 . 0 0 "[ . 1 . 2]" 1
383 1 27 ARG H 1 28 ASN QB 4.520 . 4.520 4.503 4.331 4.560 0.040 9 0 "[ . 1 . 2]" 1
384 1 27 ARG H 1 28 ASN QD 4.370 . 4.370 3.967 3.699 4.125 . 0 0 "[ . 1 . 2]" 1
385 1 27 ARG HA 1 27 ARG QD 3.630 . 3.630 2.753 1.967 3.826 0.196 1 0 "[ . 1 . 2]" 1
386 1 27 ARG HA 1 27 ARG QG 3.220 . 3.220 2.717 2.202 3.153 . 0 0 "[ . 1 . 2]" 1
387 1 27 ARG HA 1 28 ASN HA 4.770 . 4.770 4.603 4.545 4.672 . 0 0 "[ . 1 . 2]" 1
388 1 27 ARG QB 1 28 ASN H 3.650 . 3.650 2.657 2.403 2.898 . 0 0 "[ . 1 . 2]" 1
389 1 27 ARG QB 1 28 ASN HA 4.740 . 4.740 3.881 3.724 4.135 . 0 0 "[ . 1 . 2]" 1
390 1 27 ARG QB 1 28 ASN QB 4.600 . 4.600 4.019 3.751 4.281 . 0 0 "[ . 1 . 2]" 1
391 1 27 ARG QB 1 28 ASN QD 3.310 . 3.310 2.688 2.420 3.071 . 0 0 "[ . 1 . 2]" 1
392 1 27 ARG QD 1 28 ASN QD 5.190 . 5.190 4.897 3.692 5.257 0.067 17 0 "[ . 1 . 2]" 1
393 1 27 ARG QG 1 28 ASN H 4.750 . 4.750 4.090 3.813 4.261 . 0 0 "[ . 1 . 2]" 1
394 1 27 ARG QG 1 28 ASN QD 5.110 . 5.110 4.275 3.915 4.863 . 0 0 "[ . 1 . 2]" 1
395 1 28 ASN H 1 28 ASN HB2 3.770 . 3.770 2.297 2.239 2.357 . 0 0 "[ . 1 . 2]" 1
396 1 28 ASN H 1 28 ASN QB 3.230 . 3.230 2.272 2.217 2.329 . 0 0 "[ . 1 . 2]" 1
397 1 28 ASN H 1 28 ASN HB3 3.770 . 3.770 3.598 3.563 3.635 . 0 0 "[ . 1 . 2]" 1
398 1 28 ASN H 1 28 ASN QD 3.610 . 3.610 2.487 2.272 2.676 . 0 0 "[ . 1 . 2]" 1
399 1 28 ASN H 1 29 GLY H 3.890 . 3.890 2.367 2.293 2.471 . 0 0 "[ . 1 . 2]" 1
400 1 28 ASN H 1 30 HIS H 4.700 . 4.700 3.818 3.625 4.119 . 0 0 "[ . 1 . 2]" 1
401 1 28 ASN HA 1 28 ASN QD 4.340 . 4.340 3.400 3.328 3.463 . 0 0 "[ . 1 . 2]" 1
402 1 28 ASN HA 1 29 GLY QA 4.650 . 4.650 4.123 4.079 4.180 . 0 0 "[ . 1 . 2]" 1
403 1 28 ASN HA 1 30 HIS HD2 5.340 . 5.340 4.487 4.307 4.816 . 0 0 "[ . 1 . 2]" 1
404 1 29 GLY H 1 30 HIS H 3.800 . 3.800 2.207 2.035 2.373 . 0 0 "[ . 1 . 2]" 1
405 1 30 HIS H 1 30 HIS HB2 3.550 . 3.550 2.378 2.300 2.448 . 0 0 "[ . 1 . 2]" 1
406 1 30 HIS H 1 30 HIS QB 2.980 . 2.980 2.346 2.274 2.411 . 0 0 "[ . 1 . 2]" 1
407 1 30 HIS H 1 30 HIS HB3 3.550 . 3.550 3.600 3.579 3.619 0.069 4 0 "[ . 1 . 2]" 1
408 1 30 HIS H 1 30 HIS HD2 4.000 . 4.000 2.795 2.541 3.217 . 0 0 "[ . 1 . 2]" 1
409 1 30 HIS HA 1 42 VAL QG 4.660 . 4.660 4.190 4.001 4.478 . 0 0 "[ . 1 . 2]" 1
410 1 30 HIS QB 1 30 HIS HD2 3.250 . 3.250 2.707 2.600 2.791 . 0 0 "[ . 1 . 2]" 1
411 1 30 HIS QB 1 32 VAL H 4.920 . 4.920 4.066 3.630 4.582 . 0 0 "[ . 1 . 2]" 1
412 1 30 HIS QB 1 32 VAL QG 4.690 . 4.690 2.578 2.246 3.432 . 0 0 "[ . 1 . 2]" 1
413 1 30 HIS QB 1 42 VAL HB 5.130 . 5.130 4.695 4.485 4.938 . 0 0 "[ . 1 . 2]" 1
414 1 30 HIS QB 1 42 VAL QG 3.070 . 3.070 2.282 2.063 2.492 . 0 0 "[ . 1 . 2]" 1
415 1 30 HIS HB2 1 30 HIS HD2 3.890 . 3.890 2.764 2.649 2.858 . 0 0 "[ . 1 . 2]" 1
416 1 30 HIS HB2 1 42 VAL MG1 4.070 . 4.070 3.228 3.034 3.484 . 0 0 "[ . 1 . 2]" 1
417 1 30 HIS HB2 1 42 VAL MG2 4.070 . 4.070 3.348 3.104 3.611 . 0 0 "[ . 1 . 2]" 1
418 1 30 HIS HB3 1 30 HIS HD2 3.890 . 3.890 3.872 3.774 3.905 0.015 4 0 "[ . 1 . 2]" 1
419 1 30 HIS HB3 1 42 VAL MG1 4.070 . 4.070 3.334 3.131 3.587 . 0 0 "[ . 1 . 2]" 1
420 1 30 HIS HB3 1 42 VAL MG2 4.070 . 4.070 2.444 2.164 2.736 . 0 0 "[ . 1 . 2]" 1
421 1 30 HIS HD2 1 42 VAL MG1 4.610 . 4.610 4.045 3.397 4.209 . 0 0 "[ . 1 . 2]" 1
422 1 30 HIS HD2 1 42 VAL QG 3.890 . 3.890 3.785 3.256 3.906 0.016 15 0 "[ . 1 . 2]" 1
423 1 30 HIS HD2 1 42 VAL MG2 4.610 . 4.610 4.564 4.174 4.654 0.044 7 0 "[ . 1 . 2]" 1
424 1 30 HIS HE1 1 42 VAL HA 5.500 . 5.500 4.256 3.542 5.458 . 0 0 "[ . 1 . 2]" 1
425 1 30 HIS HE1 1 45 ALA MB 4.820 . 4.820 3.386 2.823 4.467 . 0 0 "[ . 1 . 2]" 1
426 1 31 ASN HA 1 32 VAL H 2.770 . 2.770 2.146 2.044 2.256 . 0 0 "[ . 1 . 2]" 1
427 1 31 ASN HA 1 32 VAL QG 4.440 . 4.440 3.819 3.346 4.020 . 0 0 "[ . 1 . 2]" 1
428 1 31 ASN QB 1 32 VAL H 4.080 . 4.080 3.677 3.390 3.852 . 0 0 "[ . 1 . 2]" 1
429 1 32 VAL H 1 32 VAL HB 3.460 . 3.460 2.630 2.432 3.560 0.100 20 0 "[ . 1 . 2]" 1
430 1 32 VAL H 1 32 VAL MG1 4.060 . 4.060 3.750 2.395 3.952 . 0 0 "[ . 1 . 2]" 1
431 1 32 VAL H 1 32 VAL QG 3.260 . 3.260 2.517 1.787 2.974 0.013 20 0 "[ . 1 . 2]" 1
432 1 32 VAL H 1 32 VAL MG2 4.060 . 4.060 2.561 1.845 3.075 . 0 0 "[ . 1 . 2]" 1
433 1 32 VAL HA 1 32 VAL MG1 3.190 . 3.190 2.423 2.247 2.475 . 0 0 "[ . 1 . 2]" 1
434 1 32 VAL HA 1 32 VAL MG2 3.190 . 3.190 2.436 2.329 3.209 0.019 20 0 "[ . 1 . 2]" 1
435 1 32 VAL HA 1 33 SER HB2 4.910 . 4.910 4.528 4.346 4.888 . 0 0 "[ . 1 . 2]" 1
436 1 32 VAL HA 1 33 SER QB 4.310 . 4.310 4.047 3.947 4.283 . 0 0 "[ . 1 . 2]" 1
437 1 32 VAL HA 1 33 SER HB3 4.910 . 4.910 4.573 4.415 4.925 0.015 6 0 "[ . 1 . 2]" 1
438 1 32 VAL HA 1 39 PRO QD 4.340 . 4.340 3.267 2.481 3.797 . 0 0 "[ . 1 . 2]" 1
439 1 32 VAL QG 1 33 SER H 4.990 . 4.990 2.917 2.273 3.515 . 0 0 "[ . 1 . 2]" 1
440 1 32 VAL QG 1 33 SER HA 4.820 . 4.820 4.041 3.497 4.710 . 0 0 "[ . 1 . 2]" 1
441 1 32 VAL QG 1 38 ILE HA 3.700 . 3.700 2.342 1.951 3.707 0.007 20 0 "[ . 1 . 2]" 1
442 1 32 VAL QG 1 38 ILE HB 4.630 . 4.630 4.189 3.903 4.649 0.019 20 0 "[ . 1 . 2]" 1
443 1 32 VAL QG 1 38 ILE MG 3.250 . 3.250 2.262 1.985 2.467 . 0 0 "[ . 1 . 2]" 1
444 1 32 VAL QG 1 39 PRO QD 3.450 . 3.450 1.985 1.861 2.301 . 0 0 "[ . 1 . 2]" 1
445 1 32 VAL QG 1 39 PRO QG 4.670 . 4.670 2.764 2.420 3.515 . 0 0 "[ . 1 . 2]" 1
446 1 32 VAL QG 1 42 VAL QG 2.960 . 2.960 1.979 1.775 2.720 0.025 20 0 "[ . 1 . 2]" 1
447 1 32 VAL QG 1 43 ILE MD 5.440 . 5.440 5.099 4.892 5.299 . 0 0 "[ . 1 . 2]" 1
448 1 34 THR HA 1 34 THR MG 2.920 . 2.920 2.222 2.149 2.317 . 0 0 "[ . 1 . 2]" 1
449 1 34 THR MG 1 35 ARG HA 5.460 . 5.460 5.384 4.712 5.515 0.055 19 0 "[ . 1 . 2]" 1
450 1 35 ARG H 1 35 ARG QG 4.630 . 4.630 2.789 2.157 3.636 . 0 0 "[ . 1 . 2]" 1
451 1 35 ARG HA 1 35 ARG HD2 5.400 . 5.400 3.874 2.198 4.921 . 0 0 "[ . 1 . 2]" 1
452 1 35 ARG HA 1 35 ARG QD 4.600 . 4.600 3.171 1.910 4.278 . 0 0 "[ . 1 . 2]" 1
453 1 35 ARG HA 1 35 ARG HD3 5.400 . 5.400 3.577 1.929 4.787 . 0 0 "[ . 1 . 2]" 1
454 1 35 ARG HA 1 35 ARG QG 3.160 . 3.160 2.648 2.399 3.068 . 0 0 "[ . 1 . 2]" 1
455 1 36 GLY QA 1 37 ARG H 3.190 . 3.190 2.282 2.071 2.872 . 0 0 "[ . 1 . 2]" 1
456 1 37 ARG H 1 37 ARG QB 3.360 . 3.360 2.647 2.274 3.367 0.007 19 0 "[ . 1 . 2]" 1
457 1 37 ARG H 1 37 ARG QG 4.430 . 4.430 3.247 2.104 4.157 . 0 0 "[ . 1 . 2]" 1
458 1 37 ARG H 1 38 ILE H 5.500 . 5.500 4.364 3.756 4.570 . 0 0 "[ . 1 . 2]" 1
459 1 37 ARG HA 1 37 ARG QB 2.600 . 2.600 2.355 2.178 2.443 . 0 0 "[ . 1 . 2]" 1
460 1 37 ARG HA 1 37 ARG HD2 5.410 . 5.410 4.312 2.133 4.810 . 0 0 "[ . 1 . 2]" 1
461 1 37 ARG HA 1 37 ARG QD 4.700 . 4.700 3.864 1.876 4.511 . 0 0 "[ . 1 . 2]" 1
462 1 37 ARG HA 1 37 ARG HD3 5.410 . 5.410 4.498 1.909 5.480 0.070 3 0 "[ . 1 . 2]" 1
463 1 37 ARG HA 1 38 ILE H 2.750 . 2.750 2.376 1.972 2.666 . 0 0 "[ . 1 . 2]" 1
464 1 37 ARG QD 1 38 ILE H 4.800 . 4.800 4.243 2.921 4.880 0.080 12 0 "[ . 1 . 2]" 1
465 1 38 ILE H 1 38 ILE HB 2.830 . 2.830 2.553 2.463 2.669 . 0 0 "[ . 1 . 2]" 1
466 1 38 ILE H 1 38 ILE QG 4.030 . 4.030 2.137 1.845 2.346 . 0 0 "[ . 1 . 2]" 1
467 1 38 ILE HA 1 38 ILE QG 3.150 . 3.150 2.476 2.428 2.539 . 0 0 "[ . 1 . 2]" 1
468 1 38 ILE HA 1 39 PRO HA 4.470 . 4.470 4.479 4.453 4.496 0.026 5 0 "[ . 1 . 2]" 1
469 1 38 ILE HA 1 39 PRO QD 2.880 . 2.880 1.912 1.872 1.998 . 0 0 "[ . 1 . 2]" 1
470 1 38 ILE HB 1 39 PRO QD 4.750 . 4.750 4.072 4.008 4.135 . 0 0 "[ . 1 . 2]" 1
471 1 38 ILE HB 1 42 VAL HB 5.500 . 5.500 5.134 4.808 5.481 . 0 0 "[ . 1 . 2]" 1
472 1 38 ILE HB 1 43 ILE MD 2.830 . 2.830 2.286 1.971 2.483 . 0 0 "[ . 1 . 2]" 1
473 1 38 ILE MD 1 39 PRO QD 4.550 . 4.550 4.568 4.433 4.613 0.063 5 0 "[ . 1 . 2]" 1
474 1 38 ILE MG 1 39 PRO HD2 3.320 . 3.320 2.355 2.142 2.458 . 0 0 "[ . 1 . 2]" 1
475 1 38 ILE MG 1 39 PRO QD 2.850 . 2.850 2.300 2.108 2.393 . 0 0 "[ . 1 . 2]" 1
476 1 38 ILE MG 1 39 PRO HD3 3.320 . 3.320 3.231 3.091 3.306 . 0 0 "[ . 1 . 2]" 1
477 1 38 ILE MG 1 43 ILE H 3.470 . 3.470 3.238 2.924 3.496 0.026 3 0 "[ . 1 . 2]" 1
478 1 38 ILE MG 1 43 ILE MD 2.840 . 2.840 2.838 2.710 2.905 0.065 4 0 "[ . 1 . 2]" 1
479 1 38 ILE MG 1 43 ILE QG 3.190 . 3.190 2.081 1.944 2.234 . 0 0 "[ . 1 . 2]" 1
480 1 38 ILE MG 1 46 TYR QB 5.340 . 5.340 4.684 4.354 4.862 . 0 0 "[ . 1 . 2]" 1
481 1 39 PRO HA 1 40 ALA H 2.900 . 2.900 2.134 2.094 2.203 . 0 0 "[ . 1 . 2]" 1
482 1 39 PRO HA 1 43 ILE MD 4.410 . 4.410 4.426 4.212 4.468 0.058 7 0 "[ . 1 . 2]" 1
483 1 39 PRO QB 1 40 ALA H 3.530 . 3.530 3.222 3.057 3.314 . 0 0 "[ . 1 . 2]" 1
484 1 39 PRO QB 1 41 ASP H 3.570 . 3.570 2.906 2.619 3.031 . 0 0 "[ . 1 . 2]" 1
485 1 39 PRO QB 1 41 ASP QB 4.650 . 4.650 2.792 2.532 3.180 . 0 0 "[ . 1 . 2]" 1
486 1 39 PRO QB 1 42 VAL H 3.060 . 3.060 2.390 2.234 2.607 . 0 0 "[ . 1 . 2]" 1
487 1 39 PRO QB 1 42 VAL QG 4.240 . 4.240 2.322 1.972 2.865 . 0 0 "[ . 1 . 2]" 1
488 1 39 PRO HB2 1 40 ALA H 4.090 . 4.090 3.740 3.474 3.878 . 0 0 "[ . 1 . 2]" 1
489 1 39 PRO HB2 1 41 ASP H 4.380 . 4.380 3.089 2.691 3.300 . 0 0 "[ . 1 . 2]" 1
490 1 39 PRO HB3 1 40 ALA H 4.090 . 4.090 3.520 3.387 3.617 . 0 0 "[ . 1 . 2]" 1
491 1 39 PRO HB3 1 41 ASP H 4.380 . 4.380 3.563 3.399 3.804 . 0 0 "[ . 1 . 2]" 1
492 1 39 PRO QD 1 42 VAL H 4.620 . 4.620 4.102 3.579 4.402 . 0 0 "[ . 1 . 2]" 1
493 1 39 PRO QD 1 42 VAL HB 3.050 . 3.050 2.740 2.295 3.055 0.005 20 0 "[ . 1 . 2]" 1
494 1 39 PRO QD 1 42 VAL QG 4.140 . 4.140 2.633 2.353 3.132 . 0 0 "[ . 1 . 2]" 1
495 1 39 PRO QG 1 42 VAL H 4.210 . 4.210 4.128 3.906 4.233 0.023 4 0 "[ . 1 . 2]" 1
496 1 39 PRO QG 1 42 VAL QG 3.480 . 3.480 2.538 2.267 2.920 . 0 0 "[ . 1 . 2]" 1
497 1 39 PRO O 1 42 VAL H 2.000 . 2.000 2.051 2.033 2.065 0.065 3 0 "[ . 1 . 2]" 1
498 1 39 PRO O 1 42 VAL N 3.000 2.700 3.000 2.807 2.781 2.830 . 0 0 "[ . 1 . 2]" 1
499 1 39 PRO O 1 43 ILE H 2.000 . 2.000 2.029 1.985 2.063 0.063 5 0 "[ . 1 . 2]" 1
500 1 39 PRO O 1 43 ILE N 3.000 2.700 3.000 2.977 2.926 3.010 0.010 15 0 "[ . 1 . 2]" 1
501 1 40 ALA H 1 40 ALA MB 2.880 . 2.880 2.221 2.194 2.244 . 0 0 "[ . 1 . 2]" 1
502 1 40 ALA H 1 42 VAL H 5.010 . 5.010 4.243 4.161 4.385 . 0 0 "[ . 1 . 2]" 1
503 1 40 ALA H 1 43 ILE H 5.440 . 5.440 4.686 4.607 4.764 . 0 0 "[ . 1 . 2]" 1
504 1 40 ALA HA 1 42 VAL H 4.390 . 4.390 4.091 3.960 4.210 . 0 0 "[ . 1 . 2]" 1
505 1 40 ALA HA 1 43 ILE H 3.600 . 3.600 3.119 2.895 3.269 . 0 0 "[ . 1 . 2]" 1
506 1 40 ALA HA 1 43 ILE HB 3.110 . 3.110 2.251 2.092 2.338 . 0 0 "[ . 1 . 2]" 1
507 1 40 ALA HA 1 43 ILE MD 3.160 . 3.160 2.066 1.953 2.273 . 0 0 "[ . 1 . 2]" 1
508 1 40 ALA HA 1 43 ILE QG 3.640 . 3.640 2.804 2.455 2.980 . 0 0 "[ . 1 . 2]" 1
509 1 40 ALA HA 1 43 ILE MG 3.650 . 3.650 3.670 3.566 3.727 0.077 18 0 "[ . 1 . 2]" 1
510 1 40 ALA HA 1 44 ASP H 4.090 . 4.090 3.785 3.663 3.905 . 0 0 "[ . 1 . 2]" 1
511 1 40 ALA MB 1 41 ASP H 3.280 . 3.280 2.741 2.628 2.891 . 0 0 "[ . 1 . 2]" 1
512 1 40 ALA MB 1 41 ASP QB 5.340 . 5.340 4.285 3.911 4.692 . 0 0 "[ . 1 . 2]" 1
513 1 40 ALA MB 1 42 VAL H 4.760 . 4.760 4.555 4.493 4.621 . 0 0 "[ . 1 . 2]" 1
514 1 40 ALA MB 1 43 ILE HB 4.190 . 4.190 3.542 3.238 3.670 . 0 0 "[ . 1 . 2]" 1
515 1 40 ALA MB 1 43 ILE MD 3.880 . 3.880 3.136 2.806 3.318 . 0 0 "[ . 1 . 2]" 1
516 1 40 ALA O 1 44 ASP H 2.000 . 2.000 1.838 1.763 1.905 . 0 0 "[ . 1 . 2]" 1
517 1 40 ALA O 1 44 ASP N 3.000 2.700 3.000 2.749 2.690 2.816 0.010 16 0 "[ . 1 . 2]" 1
518 1 41 ASP H 1 41 ASP HB2 3.600 . 3.600 2.554 2.388 2.715 . 0 0 "[ . 1 . 2]" 1
519 1 41 ASP H 1 41 ASP HB3 3.600 . 3.600 3.004 2.412 3.633 0.033 18 0 "[ . 1 . 2]" 1
520 1 41 ASP H 1 42 VAL H 3.300 . 3.300 2.664 2.568 2.796 . 0 0 "[ . 1 . 2]" 1
521 1 41 ASP H 1 42 VAL QG 4.470 . 4.470 4.177 4.025 4.340 . 0 0 "[ . 1 . 2]" 1
522 1 41 ASP H 1 43 ILE H 5.500 . 5.500 3.977 3.838 4.044 . 0 0 "[ . 1 . 2]" 1
523 1 41 ASP HA 1 41 ASP QB 2.580 . 2.580 2.360 2.299 2.424 . 0 0 "[ . 1 . 2]" 1
524 1 41 ASP HA 1 42 VAL HA 4.810 . 4.810 4.703 4.613 4.757 . 0 0 "[ . 1 . 2]" 1
525 1 41 ASP HA 1 43 ILE H 4.680 . 4.680 4.494 4.357 4.584 . 0 0 "[ . 1 . 2]" 1
526 1 41 ASP HA 1 44 ASP H 3.600 . 3.600 3.569 3.238 3.689 0.089 20 0 "[ . 1 . 2]" 1
527 1 41 ASP HA 1 45 ALA H 4.460 . 4.460 3.986 3.814 4.106 . 0 0 "[ . 1 . 2]" 1
528 1 41 ASP HA 1 45 ALA MB 4.940 . 4.940 4.504 4.325 4.652 . 0 0 "[ . 1 . 2]" 1
529 1 41 ASP QB 1 42 VAL H 3.670 . 3.670 2.585 2.426 2.724 . 0 0 "[ . 1 . 2]" 1
530 1 41 ASP QB 1 42 VAL HA 4.760 . 4.760 4.028 3.732 4.299 . 0 0 "[ . 1 . 2]" 1
531 1 41 ASP QB 1 42 VAL QG 3.960 . 3.960 2.997 2.756 3.192 . 0 0 "[ . 1 . 2]" 1
532 1 41 ASP HB2 1 42 VAL H 4.330 . 4.330 3.334 2.466 4.006 . 0 0 "[ . 1 . 2]" 1
533 1 41 ASP HB3 1 42 VAL H 4.330 . 4.330 3.105 2.511 3.811 . 0 0 "[ . 1 . 2]" 1
534 1 41 ASP O 1 45 ALA H 2.000 . 2.000 1.989 1.848 2.058 0.058 17 0 "[ . 1 . 2]" 1
535 1 41 ASP O 1 45 ALA N 3.000 2.700 3.000 2.933 2.806 3.025 0.025 17 0 "[ . 1 . 2]" 1
536 1 42 VAL H 1 42 VAL HB 3.230 . 3.230 2.447 2.403 2.490 . 0 0 "[ . 1 . 2]" 1
537 1 42 VAL H 1 42 VAL MG1 3.780 . 3.780 3.763 3.745 3.784 0.004 17 0 "[ . 1 . 2]" 1
538 1 42 VAL H 1 42 VAL QG 2.750 . 2.750 2.327 2.225 2.403 . 0 0 "[ . 1 . 2]" 1
539 1 42 VAL H 1 42 VAL MG2 3.780 . 3.780 2.349 2.242 2.431 . 0 0 "[ . 1 . 2]" 1
540 1 42 VAL H 1 43 ILE HA 5.040 . 5.040 5.033 4.975 5.053 0.013 18 0 "[ . 1 . 2]" 1
541 1 42 VAL H 1 43 ILE HB 4.580 . 4.580 4.554 4.445 4.595 0.015 16 0 "[ . 1 . 2]" 1
542 1 42 VAL H 1 43 ILE QG 4.090 . 4.090 3.813 3.747 3.870 . 0 0 "[ . 1 . 2]" 1
543 1 42 VAL H 1 44 ASP H 4.330 . 4.330 3.919 3.822 4.069 . 0 0 "[ . 1 . 2]" 1
544 1 42 VAL H 1 45 ALA H 5.160 . 5.160 4.598 4.532 4.679 . 0 0 "[ . 1 . 2]" 1
545 1 42 VAL HA 1 42 VAL QG 3.010 . 3.010 2.145 2.119 2.157 . 0 0 "[ . 1 . 2]" 1
546 1 42 VAL HA 1 44 ASP H 4.680 . 4.680 4.324 4.169 4.443 . 0 0 "[ . 1 . 2]" 1
547 1 42 VAL HA 1 45 ALA H 3.600 . 3.600 3.399 3.276 3.551 . 0 0 "[ . 1 . 2]" 1
548 1 42 VAL HA 1 45 ALA MB 3.130 . 3.130 2.428 2.274 2.578 . 0 0 "[ . 1 . 2]" 1
549 1 42 VAL HA 1 46 TYR H 4.550 . 4.550 3.784 3.609 3.908 . 0 0 "[ . 1 . 2]" 1
550 1 42 VAL HB 1 43 ILE H 3.200 . 3.200 2.682 2.572 2.864 . 0 0 "[ . 1 . 2]" 1
551 1 42 VAL HB 1 44 ASP H 5.460 . 5.460 5.121 4.988 5.325 . 0 0 "[ . 1 . 2]" 1
552 1 42 VAL QG 1 43 ILE H 3.970 . 3.970 3.215 3.139 3.309 . 0 0 "[ . 1 . 2]" 1
553 1 42 VAL QG 1 43 ILE HA 4.420 . 4.420 3.462 3.397 3.506 . 0 0 "[ . 1 . 2]" 1
554 1 42 VAL QG 1 45 ALA H 4.970 . 4.970 4.394 4.295 4.480 . 0 0 "[ . 1 . 2]" 1
555 1 42 VAL QG 1 46 TYR H 4.630 . 4.630 3.747 3.621 3.846 . 0 0 "[ . 1 . 2]" 1
556 1 42 VAL QG 1 46 TYR QB 3.980 . 3.980 3.089 2.974 3.202 . 0 0 "[ . 1 . 2]" 1
557 1 42 VAL MG1 1 45 ALA MB 4.080 . 4.080 3.498 3.304 3.688 . 0 0 "[ . 1 . 2]" 1
558 1 42 VAL MG2 1 45 ALA MB 4.080 . 4.080 3.890 3.677 4.086 0.006 11 0 "[ . 1 . 2]" 1
559 1 42 VAL O 1 46 TYR H 2.000 . 2.000 1.798 1.767 1.837 . 0 0 "[ . 1 . 2]" 1
560 1 42 VAL O 1 46 TYR N 3.000 2.700 3.000 2.722 2.696 2.747 0.004 3 0 "[ . 1 . 2]" 1
561 1 43 ILE H 1 43 ILE HB 2.980 . 2.980 2.559 2.504 2.600 . 0 0 "[ . 1 . 2]" 1
562 1 43 ILE H 1 43 ILE QG 3.000 . 3.000 2.031 1.994 2.082 . 0 0 "[ . 1 . 2]" 1
563 1 43 ILE H 1 44 ASP H 3.150 . 3.150 2.686 2.614 2.818 . 0 0 "[ . 1 . 2]" 1
564 1 43 ILE H 1 44 ASP QB 4.700 . 4.700 4.443 4.279 4.706 0.006 20 0 "[ . 1 . 2]" 1
565 1 43 ILE H 1 45 ALA H 4.740 . 4.740 4.165 4.028 4.268 . 0 0 "[ . 1 . 2]" 1
566 1 43 ILE HA 1 43 ILE MD 3.930 . 3.930 3.860 3.813 3.881 . 0 0 "[ . 1 . 2]" 1
567 1 43 ILE HA 1 43 ILE QG 3.420 . 3.420 2.423 2.374 2.442 . 0 0 "[ . 1 . 2]" 1
568 1 43 ILE HA 1 43 ILE MG 3.070 . 3.070 2.423 2.392 2.465 . 0 0 "[ . 1 . 2]" 1
569 1 43 ILE HA 1 46 TYR H 3.600 . 3.600 3.507 3.430 3.584 . 0 0 "[ . 1 . 2]" 1
570 1 43 ILE HA 1 46 TYR QB 3.910 . 3.910 2.432 2.257 2.526 . 0 0 "[ . 1 . 2]" 1
571 1 43 ILE HA 1 47 HIS H 4.670 . 4.670 4.056 3.953 4.146 . 0 0 "[ . 1 . 2]" 1
572 1 43 ILE HB 1 43 ILE MD 3.120 . 3.120 2.453 2.436 2.471 . 0 0 "[ . 1 . 2]" 1
573 1 43 ILE HB 1 44 ASP H 3.030 . 3.030 2.584 2.506 2.664 . 0 0 "[ . 1 . 2]" 1
574 1 43 ILE HB 1 45 ALA H 5.400 . 5.400 5.035 4.912 5.183 . 0 0 "[ . 1 . 2]" 1
575 1 43 ILE MD 1 43 ILE MG 3.130 . 3.130 1.999 1.954 2.027 . 0 0 "[ . 1 . 2]" 1
576 1 43 ILE MD 1 47 HIS HD2 5.240 . 5.240 5.058 4.846 5.186 . 0 0 "[ . 1 . 2]" 1
577 1 43 ILE QG 1 44 ASP H 5.150 . 5.150 3.958 3.917 4.031 . 0 0 "[ . 1 . 2]" 1
578 1 43 ILE MG 1 44 ASP H 3.660 . 3.660 3.437 3.336 3.555 . 0 0 "[ . 1 . 2]" 1
579 1 43 ILE MG 1 44 ASP HA 3.600 . 3.600 3.459 3.358 3.597 . 0 0 "[ . 1 . 2]" 1
580 1 43 ILE MG 1 46 TYR H 4.860 . 4.860 4.772 4.696 4.872 0.012 19 0 "[ . 1 . 2]" 1
581 1 43 ILE MG 1 46 TYR QB 5.340 . 5.340 3.517 3.384 3.653 . 0 0 "[ . 1 . 2]" 1
582 1 43 ILE MG 1 46 TYR QD 4.380 . 4.380 3.798 3.325 3.946 . 0 0 "[ . 1 . 2]" 1
583 1 43 ILE MG 1 46 TYR QE 5.230 . 5.230 5.158 4.692 5.269 0.039 18 0 "[ . 1 . 2]" 1
584 1 43 ILE MG 1 47 HIS H 4.380 . 4.380 3.993 3.924 4.036 . 0 0 "[ . 1 . 2]" 1
585 1 43 ILE MG 1 47 HIS HA 5.500 . 5.500 5.557 5.515 5.591 0.091 11 0 "[ . 1 . 2]" 1
586 1 43 ILE MG 1 47 HIS QB 5.340 . 5.340 3.889 3.738 4.046 . 0 0 "[ . 1 . 2]" 1
587 1 43 ILE MG 1 47 HIS HD2 3.080 . 3.080 2.129 2.034 2.339 . 0 0 "[ . 1 . 2]" 1
588 1 43 ILE O 1 47 HIS H 2.000 . 2.000 1.962 1.918 2.006 0.006 14 0 "[ . 1 . 2]" 1
589 1 43 ILE O 1 47 HIS N 3.000 2.700 3.000 2.932 2.882 2.969 . 0 0 "[ . 1 . 2]" 1
590 1 44 ASP H 1 44 ASP QB 2.810 . 2.810 2.253 2.164 2.341 . 0 0 "[ . 1 . 2]" 1
591 1 44 ASP H 1 45 ALA H 3.240 . 3.240 2.587 2.504 2.662 . 0 0 "[ . 1 . 2]" 1
592 1 44 ASP H 1 45 ALA MB 4.130 . 4.130 4.181 4.161 4.205 0.075 5 0 "[ . 1 . 2]" 1
593 1 44 ASP HA 1 47 HIS H 3.600 . 3.600 3.514 3.282 3.626 0.026 19 0 "[ . 1 . 2]" 1
594 1 44 ASP HA 1 47 HIS QB 3.760 . 3.760 3.106 2.862 3.372 . 0 0 "[ . 1 . 2]" 1
595 1 44 ASP HA 1 47 HIS HD2 4.290 . 4.290 3.851 3.415 4.307 0.017 4 0 "[ . 1 . 2]" 1
596 1 44 ASP HA 1 48 ALA H 4.740 . 4.740 4.187 4.010 4.338 . 0 0 "[ . 1 . 2]" 1
597 1 44 ASP QB 1 45 ALA H 3.270 . 3.270 2.415 2.260 2.658 . 0 0 "[ . 1 . 2]" 1
598 1 44 ASP QB 1 45 ALA HA 4.550 . 4.550 4.123 3.900 4.273 . 0 0 "[ . 1 . 2]" 1
599 1 44 ASP QB 1 45 ALA MB 4.480 . 4.480 3.760 3.624 3.948 . 0 0 "[ . 1 . 2]" 1
600 1 44 ASP QB 1 48 ALA MB 4.710 . 4.710 4.601 3.886 4.756 0.046 2 0 "[ . 1 . 2]" 1
601 1 44 ASP HB2 1 45 ALA H 3.890 . 3.890 3.720 2.751 3.895 0.005 13 0 "[ . 1 . 2]" 1
602 1 44 ASP HB3 1 45 ALA H 3.890 . 3.890 2.485 2.280 3.516 . 0 0 "[ . 1 . 2]" 1
603 1 44 ASP O 1 48 ALA H 2.000 . 2.000 2.038 1.979 2.079 0.079 18 0 "[ . 1 . 2]" 1
604 1 44 ASP O 1 48 ALA N 3.000 2.700 3.000 2.837 2.773 2.918 . 0 0 "[ . 1 . 2]" 1
605 1 45 ALA H 1 45 ALA MB 2.970 . 2.970 2.188 2.162 2.223 . 0 0 "[ . 1 . 2]" 1
606 1 45 ALA H 1 46 TYR H 3.430 . 3.430 2.693 2.595 2.764 . 0 0 "[ . 1 . 2]" 1
607 1 45 ALA H 1 48 ALA MB 4.670 . 4.670 4.458 4.328 4.603 . 0 0 "[ . 1 . 2]" 1
608 1 45 ALA HA 1 48 ALA H 3.600 . 3.600 3.435 3.257 3.576 . 0 0 "[ . 1 . 2]" 1
609 1 45 ALA MB 1 46 TYR H 3.380 . 3.380 2.457 2.404 2.540 . 0 0 "[ . 1 . 2]" 1
610 1 45 ALA MB 1 48 ALA H 4.920 . 4.920 4.498 4.353 4.598 . 0 0 "[ . 1 . 2]" 1
611 1 45 ALA O 1 49 ALA H 2.000 . 2.000 2.019 1.812 2.131 0.131 6 0 "[ . 1 . 2]" 1
612 1 45 ALA O 1 49 ALA N 3.000 2.700 3.000 2.795 2.735 2.847 . 0 0 "[ . 1 . 2]" 1
613 1 46 TYR H 1 46 TYR HB2 3.400 . 3.400 2.553 2.489 2.600 . 0 0 "[ . 1 . 2]" 1
614 1 46 TYR H 1 46 TYR QB 2.980 . 2.980 2.226 2.194 2.266 . 0 0 "[ . 1 . 2]" 1
615 1 46 TYR H 1 46 TYR HB3 3.400 . 3.400 2.455 2.375 2.532 . 0 0 "[ . 1 . 2]" 1
616 1 46 TYR H 1 46 TYR QD 4.330 . 4.330 4.193 4.167 4.216 . 0 0 "[ . 1 . 2]" 1
617 1 46 TYR H 1 47 HIS H 3.360 . 3.360 2.877 2.811 2.950 . 0 0 "[ . 1 . 2]" 1
618 1 46 TYR H 1 48 ALA H 5.010 . 5.010 3.925 3.836 4.005 . 0 0 "[ . 1 . 2]" 1
619 1 46 TYR H 1 49 ALA MB 4.750 . 4.750 4.740 4.601 4.792 0.042 16 0 "[ . 1 . 2]" 1
620 1 46 TYR HA 1 46 TYR QD 3.990 . 3.990 2.868 2.701 2.998 . 0 0 "[ . 1 . 2]" 1
621 1 46 TYR HA 1 46 TYR QE 5.170 . 5.170 4.733 4.648 4.846 . 0 0 "[ . 1 . 2]" 1
622 1 46 TYR QB 1 47 HIS H 3.120 . 3.120 2.288 2.222 2.368 . 0 0 "[ . 1 . 2]" 1
623 1 46 TYR HB2 1 47 HIS H 3.950 . 3.950 3.748 3.679 3.816 . 0 0 "[ . 1 . 2]" 1
624 1 46 TYR HB2 1 49 ALA MB 5.500 . 5.500 5.131 5.001 5.234 . 0 0 "[ . 1 . 2]" 1
625 1 46 TYR HB3 1 47 HIS H 3.950 . 3.950 2.308 2.240 2.392 . 0 0 "[ . 1 . 2]" 1
626 1 46 TYR HB3 1 49 ALA MB 5.500 . 5.500 5.502 5.395 5.551 0.051 19 0 "[ . 1 . 2]" 1
627 1 46 TYR QD 1 47 HIS H 3.770 . 3.770 2.966 2.723 3.205 . 0 0 "[ . 1 . 2]" 1
628 1 46 TYR QD 1 47 HIS HD2 4.050 . 4.050 2.939 2.433 3.778 . 0 0 "[ . 1 . 2]" 1
629 1 46 TYR QD 1 47 HIS HE1 4.880 . 4.880 3.874 3.487 4.282 . 0 0 "[ . 1 . 2]" 1
630 1 46 TYR QD 1 50 THR HB 4.940 . 4.940 4.271 3.519 5.000 0.060 4 0 "[ . 1 . 2]" 1
631 1 46 TYR QD 1 50 THR MG 4.270 . 4.270 3.500 3.066 4.192 . 0 0 "[ . 1 . 2]" 1
632 1 46 TYR QE 1 47 HIS HD2 5.500 . 5.500 4.787 4.458 5.501 0.001 20 0 "[ . 1 . 2]" 1
633 1 46 TYR QE 1 47 HIS HE1 4.300 . 4.300 3.165 2.570 3.934 . 0 0 "[ . 1 . 2]" 1
634 1 46 TYR QE 1 50 THR HB 4.730 . 4.730 4.312 3.656 4.751 0.021 15 0 "[ . 1 . 2]" 1
635 1 46 TYR QE 1 50 THR MG 3.680 . 3.680 2.928 2.711 3.600 . 0 0 "[ . 1 . 2]" 1
636 1 46 TYR O 1 50 THR H 2.000 . 2.000 1.823 1.726 2.000 . 0 0 "[ . 1 . 2]" 1
637 1 46 TYR O 1 50 THR N 3.000 2.700 3.000 2.765 2.663 2.978 0.037 5 0 "[ . 1 . 2]" 1
638 1 47 HIS H 1 47 HIS HD2 4.150 . 4.150 2.999 2.712 3.458 . 0 0 "[ . 1 . 2]" 1
639 1 47 HIS H 1 48 ALA H 3.280 . 3.280 2.610 2.544 2.649 . 0 0 "[ . 1 . 2]" 1
640 1 47 HIS H 1 48 ALA MB 4.350 . 4.350 4.316 4.255 4.365 0.015 8 0 "[ . 1 . 2]" 1
641 1 47 HIS H 1 49 ALA H 4.670 . 4.670 4.146 3.977 4.298 . 0 0 "[ . 1 . 2]" 1
642 1 47 HIS HA 1 49 ALA H 4.880 . 4.880 4.050 3.771 4.436 . 0 0 "[ . 1 . 2]" 1
643 1 47 HIS QB 1 47 HIS HD2 3.500 . 3.500 2.681 2.611 2.745 . 0 0 "[ . 1 . 2]" 1
644 1 47 HIS HB2 1 47 HIS HD2 3.990 . 3.990 2.738 2.671 2.806 . 0 0 "[ . 1 . 2]" 1
645 1 47 HIS HB3 1 47 HIS HD2 3.990 . 3.990 3.830 3.683 3.893 . 0 0 "[ . 1 . 2]" 1
646 1 47 HIS HE1 1 50 THR MG 5.500 . 5.500 5.461 5.047 5.568 0.068 19 0 "[ . 1 . 2]" 1
647 1 48 ALA H 1 48 ALA MB 2.860 . 2.860 2.268 2.241 2.301 . 0 0 "[ . 1 . 2]" 1
648 1 48 ALA H 1 49 ALA H 3.530 . 3.530 2.445 2.361 2.544 . 0 0 "[ . 1 . 2]" 1
649 1 48 ALA HA 1 50 THR H 5.500 . 5.500 4.709 4.370 5.002 . 0 0 "[ . 1 . 2]" 1
650 1 49 ALA H 1 49 ALA MB 2.850 . 2.850 2.258 2.205 2.345 . 0 0 "[ . 1 . 2]" 1
651 1 49 ALA H 1 50 THR MG 4.870 . 4.870 4.606 3.954 5.132 0.262 5 0 "[ . 1 . 2]" 1
652 1 49 ALA HA 1 50 THR HB 5.500 . 5.500 5.409 5.298 5.523 0.023 8 0 "[ . 1 . 2]" 1
653 1 49 ALA MB 1 50 THR H 3.520 . 3.520 2.507 2.273 2.767 . 0 0 "[ . 1 . 2]" 1
654 1 49 ALA MB 1 50 THR MG 4.170 . 4.170 3.906 3.349 4.306 0.136 3 0 "[ . 1 . 2]" 1
655 1 50 THR H 1 50 THR MG 3.730 . 3.730 2.883 2.099 3.622 . 0 0 "[ . 1 . 2]" 1
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