NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
413928 |
2cqj   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2cqj
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 1137
_Distance_constraint_stats_list.Viol_count 363
_Distance_constraint_stats_list.Viol_total 29.404
_Distance_constraint_stats_list.Viol_max 0.038
_Distance_constraint_stats_list.Viol_rms 0.0008
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0041
_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 7 GLY 0.002 0.002 2 0 "[ . 1 . 2]"
1 8 ARG 0.097 0.018 13 0 "[ . 1 . 2]"
1 9 ARG 0.236 0.016 16 0 "[ . 1 . 2]"
1 10 LEU 0.010 0.003 17 0 "[ . 1 . 2]"
1 11 PRO 0.053 0.006 8 0 "[ . 1 . 2]"
1 12 THR 0.110 0.015 7 0 "[ . 1 . 2]"
1 13 VAL 0.168 0.023 16 0 "[ . 1 . 2]"
1 14 LEU 0.103 0.012 8 0 "[ . 1 . 2]"
1 15 LEU 0.007 0.002 5 0 "[ . 1 . 2]"
1 16 LYS 0.002 0.002 5 0 "[ . 1 . 2]"
1 17 LEU 0.038 0.006 6 0 "[ . 1 . 2]"
1 18 ARG 0.020 0.008 19 0 "[ . 1 . 2]"
1 19 MET 0.090 0.010 18 0 "[ . 1 . 2]"
1 20 ALA 0.002 0.002 17 0 "[ . 1 . 2]"
1 21 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 HIS 0.005 0.003 1 0 "[ . 1 . 2]"
1 23 LEU 0.063 0.014 10 0 "[ . 1 . 2]"
1 24 GLN 0.012 0.009 10 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 0.043 0.008 10 0 "[ . 1 . 2]"
1 27 VAL 0.038 0.006 8 0 "[ . 1 . 2]"
1 28 ALA 0.006 0.003 14 0 "[ . 1 . 2]"
1 29 PHE 0.002 0.002 17 0 "[ . 1 . 2]"
1 30 VAL 0.127 0.023 15 0 "[ . 1 . 2]"
1 31 GLU 0.006 0.004 17 0 "[ . 1 . 2]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.015 0.004 15 0 "[ . 1 . 2]"
1 34 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.045 0.013 14 0 "[ . 1 . 2]"
1 36 ARG 0.057 0.005 16 0 "[ . 1 . 2]"
1 37 VAL 0.044 0.006 19 0 "[ . 1 . 2]"
1 38 GLY 0.001 0.001 13 0 "[ . 1 . 2]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASP 0.056 0.006 17 0 "[ . 1 . 2]"
1 41 VAL 0.074 0.013 14 0 "[ . 1 . 2]"
1 42 VAL 0.026 0.008 4 0 "[ . 1 . 2]"
1 43 THR 0.042 0.009 1 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 PRO 0.094 0.023 15 0 "[ . 1 . 2]"
1 46 ALA 0.128 0.018 19 0 "[ . 1 . 2]"
1 47 PHE 0.153 0.018 19 0 "[ . 1 . 2]"
1 48 LEU 0.107 0.016 16 0 "[ . 1 . 2]"
1 49 VAL 0.055 0.008 2 0 "[ . 1 . 2]"
1 50 THR 0.051 0.020 2 0 "[ . 1 . 2]"
1 51 ARG 0.013 0.007 18 0 "[ . 1 . 2]"
1 52 SER 0.003 0.003 18 0 "[ . 1 . 2]"
1 53 MET 0.067 0.020 2 0 "[ . 1 . 2]"
1 54 GLU 0.122 0.023 16 0 "[ . 1 . 2]"
1 55 ASP 0.014 0.004 20 0 "[ . 1 . 2]"
1 56 PHE 0.002 0.001 18 0 "[ . 1 . 2]"
1 57 VAL 0.061 0.012 16 0 "[ . 1 . 2]"
1 58 THR 0.020 0.005 6 0 "[ . 1 . 2]"
1 59 TRP 0.041 0.005 9 0 "[ . 1 . 2]"
1 60 VAL 0.002 0.001 13 0 "[ . 1 . 2]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 SER 0.010 0.010 15 0 "[ . 1 . 2]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LYS 0.042 0.028 18 0 "[ . 1 . 2]"
1 65 ILE 0.108 0.038 3 0 "[ . 1 . 2]"
1 66 SER 0.074 0.038 3 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 7 GLY H 1 8 ARG H . . 4.720 4.285 3.594 4.644 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 ARG H . . 2.860 2.190 2.114 2.282 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 48 LEU HB2 . . 4.450 3.744 3.489 4.084 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY QA 1 48 LEU HB3 . . 3.900 2.316 1.983 2.585 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY QA 1 48 LEU MD2 . . 3.860 3.282 2.780 3.609 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLY QA 1 49 VAL H . . 4.470 3.272 3.000 3.548 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLY QA 1 50 THR HA . . 3.530 2.964 2.612 3.532 0.002 2 0 "[ . 1 . 2]" 1
8 1 8 ARG H 1 8 ARG QB . . 3.320 2.659 2.414 3.161 . 0 0 "[ . 1 . 2]" 1
9 1 8 ARG H 1 8 ARG QD . . 4.610 4.241 3.823 4.621 0.011 10 0 "[ . 1 . 2]" 1
10 1 8 ARG H 1 8 ARG QG . . 3.450 2.966 1.976 3.420 . 0 0 "[ . 1 . 2]" 1
11 1 8 ARG H 1 9 ARG H . . 4.560 4.441 4.381 4.477 . 0 0 "[ . 1 . 2]" 1
12 1 8 ARG H 1 13 VAL MG2 . . 4.180 4.025 3.839 4.192 0.012 10 0 "[ . 1 . 2]" 1
13 1 8 ARG H 1 48 LEU HA . . 4.340 3.472 3.263 3.742 . 0 0 "[ . 1 . 2]" 1
14 1 8 ARG H 1 48 LEU MD2 . . 4.440 3.408 2.963 3.658 . 0 0 "[ . 1 . 2]" 1
15 1 8 ARG H 1 49 VAL H . . 3.590 2.022 1.798 2.260 . 0 0 "[ . 1 . 2]" 1
16 1 8 ARG H 1 49 VAL HA . . 4.960 4.280 4.080 4.520 . 0 0 "[ . 1 . 2]" 1
17 1 8 ARG H 1 49 VAL HB . . 4.430 3.718 3.346 4.104 . 0 0 "[ . 1 . 2]" 1
18 1 8 ARG H 1 49 VAL MG1 . . 5.030 4.544 4.290 4.814 . 0 0 "[ . 1 . 2]" 1
19 1 8 ARG H 1 49 VAL QG . . 4.360 3.993 3.823 4.217 . 0 0 "[ . 1 . 2]" 1
20 1 8 ARG H 1 49 VAL MG2 . . 5.030 4.440 4.229 4.829 . 0 0 "[ . 1 . 2]" 1
21 1 8 ARG H 1 50 THR HA . . 4.340 4.032 3.830 4.192 . 0 0 "[ . 1 . 2]" 1
22 1 8 ARG HA 1 8 ARG QD . . 4.370 3.773 2.203 4.265 . 0 0 "[ . 1 . 2]" 1
23 1 8 ARG HA 1 8 ARG HG2 . . 4.020 2.716 2.433 3.488 . 0 0 "[ . 1 . 2]" 1
24 1 8 ARG HA 1 8 ARG HG3 . . 4.020 3.161 2.628 3.913 . 0 0 "[ . 1 . 2]" 1
25 1 8 ARG HA 1 9 ARG H . . 3.060 2.297 2.199 2.361 . 0 0 "[ . 1 . 2]" 1
26 1 8 ARG HA 1 48 LEU MD2 . . 4.000 2.760 2.430 3.245 . 0 0 "[ . 1 . 2]" 1
27 1 8 ARG QB 1 8 ARG QD . . 3.230 2.127 2.039 2.358 . 0 0 "[ . 1 . 2]" 1
28 1 8 ARG QB 1 9 ARG H . . 4.100 2.672 2.495 2.948 . 0 0 "[ . 1 . 2]" 1
29 1 8 ARG QB 1 12 THR HB . . 4.680 3.009 2.821 3.177 . 0 0 "[ . 1 . 2]" 1
30 1 8 ARG QB 1 13 VAL H . . 4.550 4.043 3.924 4.117 . 0 0 "[ . 1 . 2]" 1
31 1 8 ARG QB 1 13 VAL HA . . 5.340 4.644 4.526 4.751 . 0 0 "[ . 1 . 2]" 1
32 1 8 ARG QB 1 13 VAL MG2 . . 3.370 2.474 2.294 2.640 . 0 0 "[ . 1 . 2]" 1
33 1 8 ARG HB2 1 9 ARG H . . 4.670 3.788 2.815 4.178 . 0 0 "[ . 1 . 2]" 1
34 1 8 ARG HB2 1 13 VAL MG2 . . 3.900 2.622 2.502 2.918 . 0 0 "[ . 1 . 2]" 1
35 1 8 ARG HB3 1 9 ARG H . . 4.670 2.768 2.539 3.602 . 0 0 "[ . 1 . 2]" 1
36 1 8 ARG HB3 1 13 VAL MG2 . . 3.900 3.174 2.458 3.918 0.018 13 0 "[ . 1 . 2]" 1
37 1 8 ARG QD 1 12 THR MG . . 3.690 3.204 2.534 3.703 0.013 13 0 "[ . 1 . 2]" 1
38 1 8 ARG QD 1 13 VAL MG2 . . 3.820 3.361 3.048 3.830 0.010 10 0 "[ . 1 . 2]" 1
39 1 8 ARG QG 1 49 VAL H . . 5.340 4.659 3.346 5.161 . 0 0 "[ . 1 . 2]" 1
40 1 9 ARG H 1 9 ARG HB2 . . 3.810 2.865 2.848 2.883 . 0 0 "[ . 1 . 2]" 1
41 1 9 ARG H 1 9 ARG QB . . 3.150 2.749 2.737 2.761 . 0 0 "[ . 1 . 2]" 1
42 1 9 ARG H 1 9 ARG HB3 . . 3.810 3.537 3.531 3.542 . 0 0 "[ . 1 . 2]" 1
43 1 9 ARG H 1 9 ARG QD . . 4.600 3.898 3.871 3.922 . 0 0 "[ . 1 . 2]" 1
44 1 9 ARG H 1 9 ARG HG2 . . 3.570 2.293 2.172 2.412 . 0 0 "[ . 1 . 2]" 1
45 1 9 ARG H 1 9 ARG HG3 . . 3.410 2.080 1.999 2.168 . 0 0 "[ . 1 . 2]" 1
46 1 9 ARG H 1 10 LEU H . . 5.200 4.625 4.611 4.638 . 0 0 "[ . 1 . 2]" 1
47 1 9 ARG H 1 11 PRO HD2 . . 4.930 4.534 4.503 4.562 . 0 0 "[ . 1 . 2]" 1
48 1 9 ARG H 1 12 THR MG . . 4.630 4.603 4.337 4.645 0.015 7 0 "[ . 1 . 2]" 1
49 1 9 ARG H 1 48 LEU MD2 . . 3.920 3.161 2.881 3.320 . 0 0 "[ . 1 . 2]" 1
50 1 9 ARG H 1 49 VAL H . . 5.500 4.706 4.598 4.837 . 0 0 "[ . 1 . 2]" 1
51 1 9 ARG HA 1 9 ARG HD2 . . 4.880 4.060 3.904 4.536 . 0 0 "[ . 1 . 2]" 1
52 1 9 ARG HA 1 9 ARG QD . . 4.130 3.767 3.697 3.840 . 0 0 "[ . 1 . 2]" 1
53 1 9 ARG HA 1 9 ARG HD3 . . 4.880 4.554 3.918 4.724 . 0 0 "[ . 1 . 2]" 1
54 1 9 ARG HA 1 9 ARG HG2 . . 3.870 2.727 2.713 2.744 . 0 0 "[ . 1 . 2]" 1
55 1 9 ARG HA 1 9 ARG HG3 . . 4.090 3.650 3.592 3.708 . 0 0 "[ . 1 . 2]" 1
56 1 9 ARG HA 1 10 LEU H . . 3.050 2.237 2.206 2.289 . 0 0 "[ . 1 . 2]" 1
57 1 9 ARG HA 1 48 LEU HA . . 3.680 2.842 2.674 2.949 . 0 0 "[ . 1 . 2]" 1
58 1 9 ARG HA 1 48 LEU MD2 . . 3.280 2.910 2.532 3.096 . 0 0 "[ . 1 . 2]" 1
59 1 9 ARG HA 1 49 VAL H . . 4.430 4.127 3.914 4.218 . 0 0 "[ . 1 . 2]" 1
60 1 9 ARG HA 1 49 VAL QG . . 4.470 4.285 3.983 4.475 0.005 15 0 "[ . 1 . 2]" 1
61 1 9 ARG QB 1 9 ARG QD . . 3.030 2.060 2.026 2.121 . 0 0 "[ . 1 . 2]" 1
62 1 9 ARG QB 1 10 LEU H . . 3.650 2.864 2.727 2.954 . 0 0 "[ . 1 . 2]" 1
63 1 9 ARG QB 1 11 PRO HD2 . . 3.370 1.848 1.820 1.865 . 0 0 "[ . 1 . 2]" 1
64 1 9 ARG QB 1 11 PRO HD3 . . 3.950 3.177 3.096 3.212 . 0 0 "[ . 1 . 2]" 1
65 1 9 ARG QB 1 12 THR MG . . 4.860 4.519 4.457 4.626 . 0 0 "[ . 1 . 2]" 1
66 1 9 ARG HB2 1 9 ARG HD2 . . 4.100 2.984 2.726 3.093 . 0 0 "[ . 1 . 2]" 1
67 1 9 ARG HB2 1 9 ARG HD3 . . 4.100 3.871 3.494 3.953 . 0 0 "[ . 1 . 2]" 1
68 1 9 ARG HB2 1 10 LEU H . . 4.510 3.663 3.534 3.738 . 0 0 "[ . 1 . 2]" 1
69 1 9 ARG HB2 1 11 PRO HD2 . . 3.960 2.184 2.107 2.237 . 0 0 "[ . 1 . 2]" 1
70 1 9 ARG HB3 1 9 ARG HD2 . . 4.100 2.159 2.079 2.560 . 0 0 "[ . 1 . 2]" 1
71 1 9 ARG HB3 1 9 ARG HD3 . . 4.100 3.297 2.446 3.467 . 0 0 "[ . 1 . 2]" 1
72 1 9 ARG HB3 1 10 LEU H . . 4.510 2.990 2.837 3.094 . 0 0 "[ . 1 . 2]" 1
73 1 9 ARG HB3 1 11 PRO HD2 . . 3.960 1.995 1.987 2.006 . 0 0 "[ . 1 . 2]" 1
74 1 9 ARG QD 1 46 ALA H . . 5.310 4.896 4.633 5.046 . 0 0 "[ . 1 . 2]" 1
75 1 9 ARG QD 1 46 ALA MB . . 3.850 3.702 3.207 3.849 . 0 0 "[ . 1 . 2]" 1
76 1 9 ARG QD 1 48 LEU MD2 . . 3.990 3.828 3.570 4.006 0.016 16 0 "[ . 1 . 2]" 1
77 1 9 ARG HD2 1 46 ALA HA . . 3.770 2.883 2.636 3.659 . 0 0 "[ . 1 . 2]" 1
78 1 9 ARG HD2 1 46 ALA MB . . 4.530 4.118 3.838 4.533 0.003 8 0 "[ . 1 . 2]" 1
79 1 9 ARG HD2 1 48 LEU MD2 . . 4.820 4.628 4.330 4.830 0.010 8 0 "[ . 1 . 2]" 1
80 1 9 ARG HD3 1 46 ALA HA . . 3.770 3.576 2.384 3.775 0.005 4 0 "[ . 1 . 2]" 1
81 1 9 ARG HD3 1 46 ALA MB . . 4.530 4.327 3.280 4.535 0.005 2 0 "[ . 1 . 2]" 1
82 1 9 ARG HD3 1 48 LEU MD2 . . 4.820 4.096 3.678 4.321 . 0 0 "[ . 1 . 2]" 1
83 1 9 ARG HG2 1 46 ALA HA . . 4.500 3.940 3.706 4.129 . 0 0 "[ . 1 . 2]" 1
84 1 9 ARG HG2 1 48 LEU MD2 . . 3.420 2.716 2.444 2.858 . 0 0 "[ . 1 . 2]" 1
85 1 9 ARG HG3 1 46 ALA HA . . 5.480 5.134 4.976 5.313 . 0 0 "[ . 1 . 2]" 1
86 1 9 ARG HG3 1 48 LEU MD2 . . 4.010 3.983 3.755 4.019 0.009 18 0 "[ . 1 . 2]" 1
87 1 10 LEU H 1 10 LEU HB2 . . 3.430 2.251 2.238 2.274 . 0 0 "[ . 1 . 2]" 1
88 1 10 LEU H 1 10 LEU HB3 . . 3.430 2.788 2.761 2.807 . 0 0 "[ . 1 . 2]" 1
89 1 10 LEU H 1 10 LEU MD1 . . 4.190 3.764 3.660 3.810 . 0 0 "[ . 1 . 2]" 1
90 1 10 LEU H 1 10 LEU MD2 . . 4.370 4.198 4.145 4.229 . 0 0 "[ . 1 . 2]" 1
91 1 10 LEU H 1 10 LEU HG . . 4.750 4.564 4.543 4.581 . 0 0 "[ . 1 . 2]" 1
92 1 10 LEU H 1 11 PRO HD2 . . 4.230 2.365 2.320 2.416 . 0 0 "[ . 1 . 2]" 1
93 1 10 LEU H 1 11 PRO HD3 . . 4.120 2.370 2.225 2.441 . 0 0 "[ . 1 . 2]" 1
94 1 10 LEU H 1 13 VAL MG2 . . 4.640 4.403 4.198 4.630 . 0 0 "[ . 1 . 2]" 1
95 1 10 LEU H 1 30 VAL MG2 . . 5.040 4.710 4.486 4.913 . 0 0 "[ . 1 . 2]" 1
96 1 10 LEU H 1 48 LEU HA . . 4.320 4.155 4.036 4.260 . 0 0 "[ . 1 . 2]" 1
97 1 10 LEU H 1 48 LEU MD2 . . 4.890 4.672 4.446 4.832 . 0 0 "[ . 1 . 2]" 1
98 1 10 LEU H 1 49 VAL QG . . 4.100 3.661 3.262 3.928 . 0 0 "[ . 1 . 2]" 1
99 1 10 LEU HA 1 10 LEU MD1 . . 3.030 2.023 1.965 2.208 . 0 0 "[ . 1 . 2]" 1
100 1 10 LEU HA 1 10 LEU MD2 . . 4.000 3.838 3.816 3.855 . 0 0 "[ . 1 . 2]" 1
101 1 10 LEU HA 1 10 LEU HG . . 4.120 2.916 2.826 2.984 . 0 0 "[ . 1 . 2]" 1
102 1 10 LEU HA 1 11 PRO HD2 . . 4.420 3.944 3.929 4.002 . 0 0 "[ . 1 . 2]" 1
103 1 10 LEU HA 1 12 THR H . . 4.680 4.353 4.336 4.382 . 0 0 "[ . 1 . 2]" 1
104 1 10 LEU HA 1 13 VAL H . . 4.070 3.456 3.419 3.497 . 0 0 "[ . 1 . 2]" 1
105 1 10 LEU HA 1 13 VAL HB . . 3.680 2.780 2.726 2.851 . 0 0 "[ . 1 . 2]" 1
106 1 10 LEU HA 1 13 VAL MG1 . . 4.180 4.119 4.058 4.182 0.002 15 0 "[ . 1 . 2]" 1
107 1 10 LEU HA 1 13 VAL MG2 . . 3.470 2.781 2.494 3.088 . 0 0 "[ . 1 . 2]" 1
108 1 10 LEU HA 1 14 LEU H . . 4.450 4.132 3.996 4.268 . 0 0 "[ . 1 . 2]" 1
109 1 10 LEU HA 1 47 PHE QD . . 4.720 4.137 3.797 4.424 . 0 0 "[ . 1 . 2]" 1
110 1 10 LEU HA 1 49 VAL QG . . 3.070 2.755 2.491 3.007 . 0 0 "[ . 1 . 2]" 1
111 1 10 LEU HB2 1 10 LEU MD1 . . 3.510 2.318 2.219 2.353 . 0 0 "[ . 1 . 2]" 1
112 1 10 LEU HB2 1 10 LEU MD2 . . 3.420 2.394 2.283 2.481 . 0 0 "[ . 1 . 2]" 1
113 1 10 LEU HB2 1 11 PRO HD3 . . 4.050 2.988 2.946 2.995 . 0 0 "[ . 1 . 2]" 1
114 1 10 LEU HB2 1 30 VAL MG2 . . 4.100 3.788 3.586 3.952 . 0 0 "[ . 1 . 2]" 1
115 1 10 LEU HB2 1 47 PHE H . . 4.930 4.075 3.777 4.476 . 0 0 "[ . 1 . 2]" 1
116 1 10 LEU HB2 1 47 PHE HB2 . . 4.920 4.257 3.990 4.517 . 0 0 "[ . 1 . 2]" 1
117 1 10 LEU HB2 1 47 PHE QB . . 4.090 2.509 2.264 2.743 . 0 0 "[ . 1 . 2]" 1
118 1 10 LEU HB2 1 47 PHE HB3 . . 4.920 2.528 2.276 2.767 . 0 0 "[ . 1 . 2]" 1
119 1 10 LEU HB2 1 47 PHE QD . . 4.130 2.517 2.319 2.726 . 0 0 "[ . 1 . 2]" 1
120 1 10 LEU HB2 1 49 VAL QG . . 3.370 3.198 2.939 3.372 0.002 16 0 "[ . 1 . 2]" 1
121 1 10 LEU HB3 1 10 LEU MD1 . . 3.660 3.192 3.180 3.196 . 0 0 "[ . 1 . 2]" 1
122 1 10 LEU HB3 1 10 LEU MD2 . . 3.330 2.250 2.157 2.387 . 0 0 "[ . 1 . 2]" 1
123 1 10 LEU HB3 1 11 PRO HD2 . . 3.840 3.402 3.366 3.456 . 0 0 "[ . 1 . 2]" 1
124 1 10 LEU HB3 1 11 PRO HD3 . . 3.480 1.932 1.914 1.945 . 0 0 "[ . 1 . 2]" 1
125 1 10 LEU HB3 1 30 VAL MG2 . . 3.790 2.444 2.211 2.619 . 0 0 "[ . 1 . 2]" 1
126 1 10 LEU HB3 1 45 PRO HA . . 4.100 2.926 2.632 3.317 . 0 0 "[ . 1 . 2]" 1
127 1 10 LEU HB3 1 47 PHE QB . . 4.590 3.687 3.466 3.806 . 0 0 "[ . 1 . 2]" 1
128 1 10 LEU HB3 1 47 PHE QD . . 4.510 4.165 3.969 4.299 . 0 0 "[ . 1 . 2]" 1
129 1 10 LEU MD1 1 13 VAL H . . 4.850 4.655 4.519 4.809 . 0 0 "[ . 1 . 2]" 1
130 1 10 LEU MD1 1 13 VAL HB . . 3.540 3.031 2.860 3.319 . 0 0 "[ . 1 . 2]" 1
131 1 10 LEU MD1 1 47 PHE QD . . 4.250 2.205 1.997 2.455 . 0 0 "[ . 1 . 2]" 1
132 1 10 LEU MD2 1 11 PRO HD2 . . 5.500 5.153 5.069 5.237 . 0 0 "[ . 1 . 2]" 1
133 1 10 LEU MD2 1 11 PRO HD3 . . 4.190 3.800 3.706 3.911 . 0 0 "[ . 1 . 2]" 1
134 1 10 LEU MD2 1 29 PHE QB . . 5.500 5.174 4.930 5.417 . 0 0 "[ . 1 . 2]" 1
135 1 10 LEU MD2 1 30 VAL HA . . 4.570 3.491 3.241 3.674 . 0 0 "[ . 1 . 2]" 1
136 1 10 LEU MD2 1 30 VAL MG2 . . 3.100 2.058 1.850 2.247 . 0 0 "[ . 1 . 2]" 1
137 1 10 LEU MD2 1 35 VAL HB . . 4.120 2.587 2.329 2.728 . 0 0 "[ . 1 . 2]" 1
138 1 10 LEU MD2 1 42 VAL HA . . 5.500 4.942 4.720 5.136 . 0 0 "[ . 1 . 2]" 1
139 1 10 LEU MD2 1 42 VAL HB . . 3.520 2.523 2.271 2.754 . 0 0 "[ . 1 . 2]" 1
140 1 10 LEU MD2 1 42 VAL MG1 . . 3.120 2.419 2.165 2.769 . 0 0 "[ . 1 . 2]" 1
141 1 10 LEU MD2 1 42 VAL MG2 . . 3.900 3.140 2.821 3.381 . 0 0 "[ . 1 . 2]" 1
142 1 10 LEU MD2 1 45 PRO HA . . 4.420 3.705 3.396 4.086 . 0 0 "[ . 1 . 2]" 1
143 1 10 LEU MD2 1 47 PHE QB . . 4.030 3.219 2.996 3.449 . 0 0 "[ . 1 . 2]" 1
144 1 10 LEU MD2 1 47 PHE QD . . 4.060 2.963 2.649 3.448 . 0 0 "[ . 1 . 2]" 1
145 1 10 LEU HG 1 11 PRO HA . . 4.810 4.484 4.467 4.520 . 0 0 "[ . 1 . 2]" 1
146 1 10 LEU HG 1 11 PRO HD3 . . 4.460 4.194 4.167 4.218 . 0 0 "[ . 1 . 2]" 1
147 1 10 LEU HG 1 30 VAL MG1 . . 4.430 4.296 4.084 4.433 0.003 17 0 "[ . 1 . 2]" 1
148 1 10 LEU HG 1 30 VAL MG2 . . 3.220 3.083 2.695 3.222 0.002 5 0 "[ . 1 . 2]" 1
149 1 11 PRO HA 1 11 PRO HD2 . . 4.210 3.937 3.920 3.942 . 0 0 "[ . 1 . 2]" 1
150 1 11 PRO HA 1 11 PRO QG . . 3.620 2.871 2.865 2.875 . 0 0 "[ . 1 . 2]" 1
151 1 11 PRO HA 1 14 LEU H . . 4.000 3.752 3.729 3.780 . 0 0 "[ . 1 . 2]" 1
152 1 11 PRO HA 1 14 LEU HB2 . . 3.980 2.856 2.756 2.971 . 0 0 "[ . 1 . 2]" 1
153 1 11 PRO HA 1 14 LEU HB3 . . 4.710 4.339 4.221 4.498 . 0 0 "[ . 1 . 2]" 1
154 1 11 PRO HA 1 14 LEU MD1 . . 3.160 2.710 2.566 2.933 . 0 0 "[ . 1 . 2]" 1
155 1 11 PRO HA 1 14 LEU HG . . 4.820 4.601 4.478 4.759 . 0 0 "[ . 1 . 2]" 1
156 1 11 PRO HA 1 20 ALA MB . . 5.420 4.617 4.434 4.767 . 0 0 "[ . 1 . 2]" 1
157 1 11 PRO HA 1 23 LEU MD1 . . 4.560 4.307 4.088 4.488 . 0 0 "[ . 1 . 2]" 1
158 1 11 PRO HA 1 26 ALA MB . . 3.300 2.131 1.962 2.292 . 0 0 "[ . 1 . 2]" 1
159 1 11 PRO HA 1 27 VAL MG2 . . 4.260 4.006 3.895 4.160 . 0 0 "[ . 1 . 2]" 1
160 1 11 PRO HA 1 30 VAL MG2 . . 3.820 3.252 3.056 3.407 . 0 0 "[ . 1 . 2]" 1
161 1 11 PRO QB 1 11 PRO HD2 . . 3.810 2.873 2.816 2.889 . 0 0 "[ . 1 . 2]" 1
162 1 11 PRO QB 1 26 ALA MB . . 3.340 2.586 2.328 2.778 . 0 0 "[ . 1 . 2]" 1
163 1 11 PRO QB 1 27 VAL HA . . 4.440 3.317 3.205 3.443 . 0 0 "[ . 1 . 2]" 1
164 1 11 PRO QB 1 27 VAL MG2 . . 3.310 2.206 2.102 2.368 . 0 0 "[ . 1 . 2]" 1
165 1 11 PRO HB2 1 11 PRO HD2 . . 4.380 2.955 2.892 2.973 . 0 0 "[ . 1 . 2]" 1
166 1 11 PRO HB2 1 12 THR H . . 4.090 2.486 2.478 2.494 . 0 0 "[ . 1 . 2]" 1
167 1 11 PRO HB2 1 23 LEU MD1 . . 3.420 2.844 2.613 3.077 . 0 0 "[ . 1 . 2]" 1
168 1 11 PRO HB2 1 26 ALA MB . . 3.890 3.809 3.594 3.894 0.004 18 0 "[ . 1 . 2]" 1
169 1 11 PRO HB2 1 27 VAL HA . . 5.050 4.913 4.831 5.014 . 0 0 "[ . 1 . 2]" 1
170 1 11 PRO HB3 1 11 PRO HD2 . . 4.380 3.917 3.875 3.928 . 0 0 "[ . 1 . 2]" 1
171 1 11 PRO HB3 1 12 THR H . . 4.090 3.882 3.875 3.888 . 0 0 "[ . 1 . 2]" 1
172 1 11 PRO HB3 1 23 LEU MD1 . . 3.420 2.734 2.488 2.996 . 0 0 "[ . 1 . 2]" 1
173 1 11 PRO HB3 1 26 ALA MB . . 3.890 2.632 2.358 2.844 . 0 0 "[ . 1 . 2]" 1
174 1 11 PRO HB3 1 27 VAL HA . . 5.050 3.372 3.253 3.507 . 0 0 "[ . 1 . 2]" 1
175 1 11 PRO HD2 1 12 THR H . . 4.170 2.778 2.696 2.826 . 0 0 "[ . 1 . 2]" 1
176 1 11 PRO HD2 1 30 VAL MG1 . . 5.500 5.095 4.866 5.288 . 0 0 "[ . 1 . 2]" 1
177 1 11 PRO HD2 1 30 VAL MG2 . . 4.690 4.425 4.259 4.598 . 0 0 "[ . 1 . 2]" 1
178 1 11 PRO HD2 1 45 PRO HA . . 4.700 3.710 3.523 4.035 . 0 0 "[ . 1 . 2]" 1
179 1 11 PRO HD3 1 12 THR H . . 4.340 4.066 4.015 4.097 . 0 0 "[ . 1 . 2]" 1
180 1 11 PRO HD3 1 14 LEU MD1 . . 4.990 4.503 4.252 4.811 . 0 0 "[ . 1 . 2]" 1
181 1 11 PRO HD3 1 30 VAL MG1 . . 4.450 3.574 3.306 3.798 . 0 0 "[ . 1 . 2]" 1
182 1 11 PRO HD3 1 30 VAL MG2 . . 4.000 3.051 2.802 3.280 . 0 0 "[ . 1 . 2]" 1
183 1 11 PRO HD3 1 45 PRO HA . . 3.740 2.231 1.996 2.615 . 0 0 "[ . 1 . 2]" 1
184 1 11 PRO HD3 1 45 PRO HB3 . . 4.360 3.620 3.304 4.145 . 0 0 "[ . 1 . 2]" 1
185 1 11 PRO QG 1 12 THR H . . 4.020 3.742 3.735 3.749 . 0 0 "[ . 1 . 2]" 1
186 1 11 PRO QG 1 14 LEU MD1 . . 5.030 4.315 4.087 4.538 . 0 0 "[ . 1 . 2]" 1
187 1 11 PRO QG 1 23 LEU MD1 . . 4.000 3.730 3.438 4.002 0.002 4 0 "[ . 1 . 2]" 1
188 1 11 PRO QG 1 27 VAL HA . . 3.580 2.753 2.681 2.809 . 0 0 "[ . 1 . 2]" 1
189 1 11 PRO QG 1 27 VAL MG1 . . 3.980 3.627 3.434 3.833 . 0 0 "[ . 1 . 2]" 1
190 1 11 PRO QG 1 27 VAL MG2 . . 3.060 2.681 2.532 2.768 . 0 0 "[ . 1 . 2]" 1
191 1 11 PRO QG 1 30 VAL MG1 . . 4.650 3.751 3.503 3.988 . 0 0 "[ . 1 . 2]" 1
192 1 11 PRO QG 1 45 PRO HB3 . . 4.170 2.140 1.972 2.569 . 0 0 "[ . 1 . 2]" 1
193 1 11 PRO HG2 1 12 THR H . . 4.800 3.989 3.984 3.996 . 0 0 "[ . 1 . 2]" 1
194 1 11 PRO HG2 1 27 VAL HA . . 4.080 4.074 3.986 4.086 0.006 8 0 "[ . 1 . 2]" 1
195 1 11 PRO HG2 1 27 VAL MG2 . . 3.530 3.051 2.894 3.170 . 0 0 "[ . 1 . 2]" 1
196 1 11 PRO HG2 1 30 VAL MG1 . . 5.360 4.948 4.673 5.193 . 0 0 "[ . 1 . 2]" 1
197 1 11 PRO HG2 1 30 VAL MG2 . . 4.230 4.149 3.919 4.235 0.005 18 0 "[ . 1 . 2]" 1
198 1 11 PRO HG2 1 45 PRO HA . . 4.150 3.416 3.148 3.732 . 0 0 "[ . 1 . 2]" 1
199 1 11 PRO HG3 1 12 THR H . . 4.800 4.527 4.513 4.538 . 0 0 "[ . 1 . 2]" 1
200 1 11 PRO HG3 1 27 VAL HA . . 4.080 2.800 2.725 2.862 . 0 0 "[ . 1 . 2]" 1
201 1 11 PRO HG3 1 27 VAL MG2 . . 3.530 2.975 2.744 3.106 . 0 0 "[ . 1 . 2]" 1
202 1 11 PRO HG3 1 30 VAL MG1 . . 5.360 3.885 3.619 4.143 . 0 0 "[ . 1 . 2]" 1
203 1 11 PRO HG3 1 30 VAL MG2 . . 4.230 2.616 2.332 2.785 . 0 0 "[ . 1 . 2]" 1
204 1 11 PRO HG3 1 45 PRO HA . . 4.150 2.662 2.412 2.992 . 0 0 "[ . 1 . 2]" 1
205 1 12 THR H 1 12 THR HB . . 3.340 2.557 2.305 2.641 . 0 0 "[ . 1 . 2]" 1
206 1 12 THR H 1 12 THR MG . . 3.850 3.767 3.694 3.773 . 0 0 "[ . 1 . 2]" 1
207 1 12 THR H 1 13 VAL H . . 3.190 2.614 2.601 2.619 . 0 0 "[ . 1 . 2]" 1
208 1 12 THR H 1 13 VAL HB . . 5.140 4.844 4.796 4.909 . 0 0 "[ . 1 . 2]" 1
209 1 12 THR H 1 13 VAL MG2 . . 4.240 4.072 3.962 4.201 . 0 0 "[ . 1 . 2]" 1
210 1 12 THR H 1 23 LEU MD1 . . 5.010 4.453 4.216 4.630 . 0 0 "[ . 1 . 2]" 1
211 1 12 THR H 1 26 ALA MB . . 5.070 4.763 4.644 4.858 . 0 0 "[ . 1 . 2]" 1
212 1 12 THR HA 1 12 THR MG . . 3.210 2.316 2.226 2.522 . 0 0 "[ . 1 . 2]" 1
213 1 12 THR HA 1 15 LEU H . . 3.950 3.511 3.432 3.589 . 0 0 "[ . 1 . 2]" 1
214 1 12 THR HA 1 15 LEU HB2 . . 3.800 2.866 2.707 3.024 . 0 0 "[ . 1 . 2]" 1
215 1 12 THR HA 1 15 LEU HB3 . . 4.780 4.505 4.318 4.668 . 0 0 "[ . 1 . 2]" 1
216 1 12 THR HA 1 15 LEU MD1 . . 3.470 2.884 2.547 3.368 . 0 0 "[ . 1 . 2]" 1
217 1 12 THR HA 1 15 LEU MD2 . . 5.170 4.988 4.831 5.172 0.002 5 0 "[ . 1 . 2]" 1
218 1 12 THR HA 1 15 LEU HG . . 4.080 3.808 3.469 4.080 0.000 5 0 "[ . 1 . 2]" 1
219 1 12 THR HA 1 16 LYS H . . 4.660 4.187 3.986 4.319 . 0 0 "[ . 1 . 2]" 1
220 1 12 THR HA 1 23 LEU MD1 . . 4.110 4.055 3.724 4.113 0.003 1 0 "[ . 1 . 2]" 1
221 1 12 THR HA 1 26 ALA MB . . 4.960 4.756 4.652 4.906 . 0 0 "[ . 1 . 2]" 1
222 1 12 THR HB 1 13 VAL H . . 3.710 2.550 2.531 2.671 . 0 0 "[ . 1 . 2]" 1
223 1 12 THR HB 1 13 VAL MG2 . . 4.560 3.176 3.000 3.310 . 0 0 "[ . 1 . 2]" 1
224 1 12 THR MG 1 13 VAL H . . 3.920 3.496 3.042 3.615 . 0 0 "[ . 1 . 2]" 1
225 1 12 THR MG 1 13 VAL HA . . 4.500 3.612 3.134 3.772 . 0 0 "[ . 1 . 2]" 1
226 1 13 VAL H 1 13 VAL HB . . 3.200 2.564 2.511 2.635 . 0 0 "[ . 1 . 2]" 1
227 1 13 VAL H 1 13 VAL MG1 . . 3.910 3.763 3.761 3.766 . 0 0 "[ . 1 . 2]" 1
228 1 13 VAL H 1 13 VAL MG2 . . 3.030 2.173 1.992 2.329 . 0 0 "[ . 1 . 2]" 1
229 1 13 VAL H 1 14 LEU HB2 . . 4.690 4.573 4.519 4.659 . 0 0 "[ . 1 . 2]" 1
230 1 13 VAL H 1 49 VAL QG . . 5.090 4.901 4.494 5.094 0.004 9 0 "[ . 1 . 2]" 1
231 1 13 VAL HA 1 13 VAL MG1 . . 3.190 2.417 2.267 2.466 . 0 0 "[ . 1 . 2]" 1
232 1 13 VAL HA 1 13 VAL MG2 . . 3.070 2.355 2.269 2.461 . 0 0 "[ . 1 . 2]" 1
233 1 13 VAL HA 1 16 LYS H . . 3.750 3.594 3.496 3.711 . 0 0 "[ . 1 . 2]" 1
234 1 13 VAL HA 1 16 LYS QB . . 3.230 2.732 2.601 2.892 . 0 0 "[ . 1 . 2]" 1
235 1 13 VAL HA 1 16 LYS QD . . 4.370 3.538 3.301 3.791 . 0 0 "[ . 1 . 2]" 1
236 1 13 VAL HA 1 17 LEU H . . 4.390 3.996 3.824 4.178 . 0 0 "[ . 1 . 2]" 1
237 1 13 VAL HA 1 17 LEU HG . . 4.580 3.823 3.557 4.150 . 0 0 "[ . 1 . 2]" 1
238 1 13 VAL HB 1 14 LEU H . . 3.560 2.748 2.705 2.771 . 0 0 "[ . 1 . 2]" 1
239 1 13 VAL HB 1 49 VAL QG . . 4.050 3.702 3.264 3.983 . 0 0 "[ . 1 . 2]" 1
240 1 13 VAL MG1 1 17 LEU H . . 4.410 3.829 3.653 3.969 . 0 0 "[ . 1 . 2]" 1
241 1 13 VAL MG1 1 17 LEU HG . . 3.410 2.421 2.022 2.883 . 0 0 "[ . 1 . 2]" 1
242 1 13 VAL MG1 1 49 VAL HB . . 4.220 3.797 3.596 4.035 . 0 0 "[ . 1 . 2]" 1
243 1 13 VAL MG1 1 54 GLU HA . . 3.700 3.184 2.772 3.570 . 0 0 "[ . 1 . 2]" 1
244 1 13 VAL MG1 1 54 GLU QB . . 3.480 3.153 2.436 3.503 0.023 16 0 "[ . 1 . 2]" 1
245 1 13 VAL MG1 1 54 GLU QG . . 3.430 2.646 2.067 3.435 0.005 8 0 "[ . 1 . 2]" 1
246 1 13 VAL MG2 1 14 LEU H . . 4.030 3.864 3.810 3.911 . 0 0 "[ . 1 . 2]" 1
247 1 13 VAL MG2 1 49 VAL H . . 4.830 3.846 3.697 4.031 . 0 0 "[ . 1 . 2]" 1
248 1 13 VAL MG2 1 49 VAL HB . . 3.250 2.418 2.125 2.812 . 0 0 "[ . 1 . 2]" 1
249 1 13 VAL MG2 1 54 GLU QG . . 3.450 2.939 2.417 3.457 0.007 20 0 "[ . 1 . 2]" 1
250 1 14 LEU H 1 14 LEU HB2 . . 3.280 2.177 2.155 2.227 . 0 0 "[ . 1 . 2]" 1
251 1 14 LEU H 1 14 LEU HB3 . . 3.680 3.489 3.472 3.523 . 0 0 "[ . 1 . 2]" 1
252 1 14 LEU H 1 14 LEU MD1 . . 3.560 3.526 3.462 3.572 0.012 8 0 "[ . 1 . 2]" 1
253 1 14 LEU H 1 14 LEU HG . . 3.520 2.995 2.863 3.084 . 0 0 "[ . 1 . 2]" 1
254 1 14 LEU H 1 15 LEU H . . 3.390 2.628 2.592 2.662 . 0 0 "[ . 1 . 2]" 1
255 1 14 LEU H 1 26 ALA MB . . 4.150 4.133 4.002 4.156 0.006 1 0 "[ . 1 . 2]" 1
256 1 14 LEU HA 1 14 LEU MD2 . . 3.240 2.330 2.240 2.430 . 0 0 "[ . 1 . 2]" 1
257 1 14 LEU HA 1 14 LEU HG . . 3.460 2.608 2.579 2.676 . 0 0 "[ . 1 . 2]" 1
258 1 14 LEU HA 1 16 LYS H . . 5.130 4.348 4.200 4.506 . 0 0 "[ . 1 . 2]" 1
259 1 14 LEU HA 1 17 LEU H . . 4.240 3.399 3.295 3.517 . 0 0 "[ . 1 . 2]" 1
260 1 14 LEU HA 1 17 LEU HB2 . . 3.860 2.631 2.486 2.802 . 0 0 "[ . 1 . 2]" 1
261 1 14 LEU HA 1 17 LEU HB3 . . 4.440 4.185 3.923 4.444 0.004 1 0 "[ . 1 . 2]" 1
262 1 14 LEU HA 1 17 LEU MD1 . . 4.080 3.458 3.136 3.846 . 0 0 "[ . 1 . 2]" 1
263 1 14 LEU HA 1 17 LEU HG . . 4.890 4.368 4.240 4.518 . 0 0 "[ . 1 . 2]" 1
264 1 14 LEU HA 1 19 MET H . . 4.300 3.530 3.447 3.660 . 0 0 "[ . 1 . 2]" 1
265 1 14 LEU HA 1 19 MET HB2 . . 3.620 2.320 2.165 2.428 . 0 0 "[ . 1 . 2]" 1
266 1 14 LEU HA 1 19 MET HB3 . . 4.230 3.821 3.623 4.009 . 0 0 "[ . 1 . 2]" 1
267 1 14 LEU HA 1 19 MET ME . . 4.460 4.008 3.734 4.263 . 0 0 "[ . 1 . 2]" 1
268 1 14 LEU HA 1 19 MET QG . . 4.660 3.143 2.350 3.865 . 0 0 "[ . 1 . 2]" 1
269 1 14 LEU HA 1 26 ALA MB . . 5.420 4.875 4.756 5.022 . 0 0 "[ . 1 . 2]" 1
270 1 14 LEU HB2 1 14 LEU MD1 . . 3.270 2.128 2.057 2.250 . 0 0 "[ . 1 . 2]" 1
271 1 14 LEU HB2 1 15 LEU H . . 3.630 2.696 2.656 2.738 . 0 0 "[ . 1 . 2]" 1
272 1 14 LEU HB2 1 20 ALA MB . . 3.800 3.307 3.106 3.531 . 0 0 "[ . 1 . 2]" 1
273 1 14 LEU HB2 1 26 ALA MB . . 3.260 2.501 2.381 2.639 . 0 0 "[ . 1 . 2]" 1
274 1 14 LEU HB3 1 15 LEU H . . 4.030 3.197 3.133 3.308 . 0 0 "[ . 1 . 2]" 1
275 1 14 LEU HB3 1 26 ALA MB . . 3.490 2.868 2.610 3.115 . 0 0 "[ . 1 . 2]" 1
276 1 14 LEU MD1 1 20 ALA MB . . 3.710 3.064 2.628 3.287 . 0 0 "[ . 1 . 2]" 1
277 1 14 LEU MD1 1 26 ALA HA . . 3.470 3.008 2.767 3.244 . 0 0 "[ . 1 . 2]" 1
278 1 14 LEU MD1 1 26 ALA MB . . 3.180 2.414 2.147 2.563 . 0 0 "[ . 1 . 2]" 1
279 1 14 LEU MD1 1 29 PHE QB . . 3.510 3.238 3.018 3.485 . 0 0 "[ . 1 . 2]" 1
280 1 14 LEU MD1 1 29 PHE QD . . 4.260 3.915 3.707 4.246 . 0 0 "[ . 1 . 2]" 1
281 1 14 LEU MD1 1 30 VAL H . . 4.220 4.123 3.932 4.226 0.006 8 0 "[ . 1 . 2]" 1
282 1 14 LEU MD1 1 59 TRP HH2 . . 4.290 3.616 3.153 4.291 0.001 9 0 "[ . 1 . 2]" 1
283 1 14 LEU MD2 1 19 MET HA . . 3.970 3.816 3.755 3.864 . 0 0 "[ . 1 . 2]" 1
284 1 14 LEU MD2 1 19 MET HB2 . . 4.120 1.847 1.793 1.911 . 0 0 "[ . 1 . 2]" 1
285 1 14 LEU MD2 1 19 MET HB3 . . 3.610 1.891 1.818 2.069 . 0 0 "[ . 1 . 2]" 1
286 1 14 LEU MD2 1 19 MET ME . . 2.860 1.985 1.883 2.136 . 0 0 "[ . 1 . 2]" 1
287 1 14 LEU MD2 1 19 MET QG . . 4.120 2.570 1.963 3.163 . 0 0 "[ . 1 . 2]" 1
288 1 14 LEU MD2 1 20 ALA H . . 3.890 3.576 3.138 3.847 . 0 0 "[ . 1 . 2]" 1
289 1 14 LEU MD2 1 20 ALA MB . . 3.910 2.839 2.467 3.199 . 0 0 "[ . 1 . 2]" 1
290 1 14 LEU MD2 1 59 TRP HH2 . . 4.400 3.220 2.924 3.551 . 0 0 "[ . 1 . 2]" 1
291 1 14 LEU MD2 1 59 TRP HZ2 . . 4.920 2.583 2.065 3.340 . 0 0 "[ . 1 . 2]" 1
292 1 14 LEU HG 1 19 MET HB2 . . 3.800 3.798 3.780 3.810 0.010 18 0 "[ . 1 . 2]" 1
293 1 14 LEU HG 1 19 MET HB3 . . 4.750 4.470 4.344 4.626 . 0 0 "[ . 1 . 2]" 1
294 1 14 LEU HG 1 19 MET ME . . 3.930 3.783 3.497 3.930 0.000 3 0 "[ . 1 . 2]" 1
295 1 14 LEU HG 1 19 MET QG . . 5.340 4.525 3.841 5.213 . 0 0 "[ . 1 . 2]" 1
296 1 14 LEU HG 1 57 VAL QG . . 4.250 3.437 3.195 3.627 . 0 0 "[ . 1 . 2]" 1
297 1 15 LEU H 1 15 LEU HB2 . . 3.300 2.375 2.248 2.472 . 0 0 "[ . 1 . 2]" 1
298 1 15 LEU H 1 15 LEU HB3 . . 3.710 3.565 3.529 3.583 . 0 0 "[ . 1 . 2]" 1
299 1 15 LEU H 1 15 LEU MD1 . . 4.010 3.633 3.510 3.912 . 0 0 "[ . 1 . 2]" 1
300 1 15 LEU H 1 15 LEU MD2 . . 3.940 3.534 3.235 3.786 . 0 0 "[ . 1 . 2]" 1
301 1 15 LEU H 1 15 LEU HG . . 3.290 2.458 2.255 2.733 . 0 0 "[ . 1 . 2]" 1
302 1 15 LEU H 1 16 LYS H . . 3.400 2.664 2.611 2.723 . 0 0 "[ . 1 . 2]" 1
303 1 15 LEU H 1 26 ALA MB . . 4.070 3.493 3.342 3.596 . 0 0 "[ . 1 . 2]" 1
304 1 15 LEU HA 1 15 LEU MD1 . . 4.010 3.854 3.755 3.893 . 0 0 "[ . 1 . 2]" 1
305 1 15 LEU HA 1 15 LEU MD2 . . 3.030 2.016 1.924 2.318 . 0 0 "[ . 1 . 2]" 1
306 1 15 LEU HA 1 15 LEU HG . . 3.890 2.983 2.801 3.148 . 0 0 "[ . 1 . 2]" 1
307 1 15 LEU HA 1 17 LEU H . . 4.930 4.437 4.368 4.532 . 0 0 "[ . 1 . 2]" 1
308 1 15 LEU HA 1 18 ARG H . . 4.330 4.071 3.865 4.195 . 0 0 "[ . 1 . 2]" 1
309 1 15 LEU HA 1 18 ARG HA . . 4.350 4.146 3.919 4.345 . 0 0 "[ . 1 . 2]" 1
310 1 15 LEU HA 1 20 ALA H . . 3.680 3.006 2.756 3.248 . 0 0 "[ . 1 . 2]" 1
311 1 15 LEU HA 1 20 ALA MB . . 3.950 2.949 2.694 3.174 . 0 0 "[ . 1 . 2]" 1
312 1 15 LEU HA 1 26 ALA MB . . 4.500 4.060 3.856 4.286 . 0 0 "[ . 1 . 2]" 1
313 1 15 LEU HB2 1 15 LEU MD1 . . 3.330 2.268 2.103 2.410 . 0 0 "[ . 1 . 2]" 1
314 1 15 LEU HB2 1 15 LEU MD2 . . 3.610 3.185 3.168 3.195 . 0 0 "[ . 1 . 2]" 1
315 1 15 LEU HB2 1 16 LYS H . . 3.520 2.711 2.568 2.847 . 0 0 "[ . 1 . 2]" 1
316 1 15 LEU HB3 1 15 LEU MD1 . . 3.190 2.394 2.286 2.542 . 0 0 "[ . 1 . 2]" 1
317 1 15 LEU HB3 1 15 LEU MD2 . . 3.030 2.338 2.150 2.439 . 0 0 "[ . 1 . 2]" 1
318 1 15 LEU HB3 1 16 LYS H . . 3.690 3.588 3.454 3.673 . 0 0 "[ . 1 . 2]" 1
319 1 15 LEU MD1 1 16 LYS H . . 4.870 4.572 4.398 4.789 . 0 0 "[ . 1 . 2]" 1
320 1 15 LEU MD1 1 22 HIS H . . 5.310 5.105 4.734 5.311 0.001 11 0 "[ . 1 . 2]" 1
321 1 15 LEU MD1 1 23 LEU HA . . 3.450 1.973 1.829 2.068 . 0 0 "[ . 1 . 2]" 1
322 1 15 LEU MD1 1 23 LEU QB . . 3.520 2.514 2.167 2.751 . 0 0 "[ . 1 . 2]" 1
323 1 15 LEU MD1 1 26 ALA H . . 4.730 4.421 4.032 4.583 . 0 0 "[ . 1 . 2]" 1
324 1 15 LEU MD2 1 20 ALA H . . 4.550 3.686 3.427 4.004 . 0 0 "[ . 1 . 2]" 1
325 1 15 LEU MD2 1 20 ALA MB . . 3.140 2.106 1.923 2.525 . 0 0 "[ . 1 . 2]" 1
326 1 15 LEU MD2 1 21 GLN HA . . 4.420 3.964 3.465 4.417 . 0 0 "[ . 1 . 2]" 1
327 1 15 LEU MD2 1 22 HIS H . . 3.820 3.250 2.976 3.465 . 0 0 "[ . 1 . 2]" 1
328 1 15 LEU MD2 1 22 HIS HA . . 3.960 2.241 1.944 2.516 . 0 0 "[ . 1 . 2]" 1
329 1 15 LEU MD2 1 23 LEU HA . . 3.550 2.916 2.498 3.398 . 0 0 "[ . 1 . 2]" 1
330 1 15 LEU MD2 1 26 ALA H . . 4.190 3.305 2.941 3.871 . 0 0 "[ . 1 . 2]" 1
331 1 15 LEU MD2 1 26 ALA MB . . 3.360 2.468 2.159 2.974 . 0 0 "[ . 1 . 2]" 1
332 1 15 LEU HG 1 16 LYS H . . 5.090 4.520 4.367 4.729 . 0 0 "[ . 1 . 2]" 1
333 1 15 LEU HG 1 20 ALA MB . . 3.930 3.139 2.862 3.398 . 0 0 "[ . 1 . 2]" 1
334 1 16 LYS H 1 16 LYS QB . . 2.900 2.228 2.211 2.248 . 0 0 "[ . 1 . 2]" 1
335 1 16 LYS H 1 16 LYS HD2 . . 4.860 4.429 4.108 4.667 . 0 0 "[ . 1 . 2]" 1
336 1 16 LYS H 1 16 LYS HD3 . . 4.860 4.548 4.123 4.810 . 0 0 "[ . 1 . 2]" 1
337 1 16 LYS H 1 16 LYS HG2 . . 4.780 4.464 4.450 4.488 . 0 0 "[ . 1 . 2]" 1
338 1 16 LYS H 1 16 LYS QG . . 4.180 4.055 4.039 4.068 . 0 0 "[ . 1 . 2]" 1
339 1 16 LYS H 1 16 LYS HG3 . . 4.780 4.652 4.629 4.677 . 0 0 "[ . 1 . 2]" 1
340 1 16 LYS H 1 17 LEU H . . 3.420 2.488 2.386 2.614 . 0 0 "[ . 1 . 2]" 1
341 1 16 LYS H 1 17 LEU HB2 . . 5.500 4.536 4.361 4.733 . 0 0 "[ . 1 . 2]" 1
342 1 16 LYS H 1 17 LEU HG . . 5.500 4.736 4.519 4.957 . 0 0 "[ . 1 . 2]" 1
343 1 16 LYS H 1 18 ARG H . . 4.310 4.026 3.894 4.145 . 0 0 "[ . 1 . 2]" 1
344 1 16 LYS HA 1 16 LYS HD2 . . 4.670 4.411 4.195 4.672 0.002 5 0 "[ . 1 . 2]" 1
345 1 16 LYS HA 1 16 LYS QD . . 3.960 3.563 3.496 3.643 . 0 0 "[ . 1 . 2]" 1
346 1 16 LYS HA 1 16 LYS HD3 . . 4.670 3.765 3.673 3.858 . 0 0 "[ . 1 . 2]" 1
347 1 16 LYS HA 1 16 LYS HG2 . . 3.780 2.560 2.495 2.617 . 0 0 "[ . 1 . 2]" 1
348 1 16 LYS HA 1 16 LYS QG . . 3.320 2.511 2.452 2.566 . 0 0 "[ . 1 . 2]" 1
349 1 16 LYS HA 1 16 LYS HG3 . . 3.780 3.631 3.603 3.701 . 0 0 "[ . 1 . 2]" 1
350 1 16 LYS QB 1 16 LYS HD2 . . 3.530 2.219 2.082 2.443 . 0 0 "[ . 1 . 2]" 1
351 1 16 LYS QB 1 16 LYS HD3 . . 3.530 2.801 2.505 3.027 . 0 0 "[ . 1 . 2]" 1
352 1 16 LYS QB 1 16 LYS HE2 . . 4.610 4.112 3.628 4.380 . 0 0 "[ . 1 . 2]" 1
353 1 16 LYS QB 1 16 LYS QE . . 3.970 3.593 3.404 3.757 . 0 0 "[ . 1 . 2]" 1
354 1 16 LYS QB 1 16 LYS HE3 . . 4.610 4.024 3.610 4.375 . 0 0 "[ . 1 . 2]" 1
355 1 16 LYS QB 1 17 LEU H . . 3.350 2.720 2.616 2.798 . 0 0 "[ . 1 . 2]" 1
356 1 16 LYS QD 1 17 LEU MD2 . . 3.220 2.292 1.945 2.451 . 0 0 "[ . 1 . 2]" 1
357 1 16 LYS QE 1 16 LYS QG . . 3.180 2.202 2.082 2.424 . 0 0 "[ . 1 . 2]" 1
358 1 16 LYS HE2 1 17 LEU MD2 . . 4.380 3.463 2.258 4.154 . 0 0 "[ . 1 . 2]" 1
359 1 16 LYS HE3 1 17 LEU MD2 . . 4.380 3.451 2.202 4.195 . 0 0 "[ . 1 . 2]" 1
360 1 16 LYS QG 1 17 LEU H . . 4.540 4.072 3.992 4.162 . 0 0 "[ . 1 . 2]" 1
361 1 16 LYS QG 1 17 LEU HA . . 4.450 4.237 4.121 4.383 . 0 0 "[ . 1 . 2]" 1
362 1 16 LYS QG 1 17 LEU MD2 . . 4.340 4.138 3.800 4.257 . 0 0 "[ . 1 . 2]" 1
363 1 17 LEU H 1 17 LEU HB2 . . 3.260 2.287 2.215 2.360 . 0 0 "[ . 1 . 2]" 1
364 1 17 LEU H 1 17 LEU HB3 . . 3.690 3.556 3.516 3.583 . 0 0 "[ . 1 . 2]" 1
365 1 17 LEU H 1 17 LEU MD1 . . 3.990 3.839 3.651 3.993 0.003 14 0 "[ . 1 . 2]" 1
366 1 17 LEU H 1 17 LEU MD2 . . 3.760 3.706 3.582 3.763 0.003 1 0 "[ . 1 . 2]" 1
367 1 17 LEU H 1 17 LEU HG . . 3.310 2.817 2.603 3.012 . 0 0 "[ . 1 . 2]" 1
368 1 17 LEU H 1 18 ARG H . . 3.400 2.764 2.695 2.845 . 0 0 "[ . 1 . 2]" 1
369 1 17 LEU H 1 18 ARG HA . . 5.080 4.830 4.803 4.865 . 0 0 "[ . 1 . 2]" 1
370 1 17 LEU H 1 19 MET H . . 4.360 3.544 3.454 3.648 . 0 0 "[ . 1 . 2]" 1
371 1 17 LEU H 1 19 MET QG . . 4.800 4.199 3.660 4.637 . 0 0 "[ . 1 . 2]" 1
372 1 17 LEU HA 1 17 LEU MD1 . . 4.010 3.822 3.771 3.872 . 0 0 "[ . 1 . 2]" 1
373 1 17 LEU HA 1 17 LEU MD2 . . 2.780 2.012 1.937 2.119 . 0 0 "[ . 1 . 2]" 1
374 1 17 LEU HA 1 17 LEU HG . . 3.690 2.988 2.938 3.093 . 0 0 "[ . 1 . 2]" 1
375 1 17 LEU HA 1 18 ARG QG . . 4.370 3.972 3.592 4.322 . 0 0 "[ . 1 . 2]" 1
376 1 17 LEU HB2 1 17 LEU MD1 . . 3.090 2.310 2.172 2.470 . 0 0 "[ . 1 . 2]" 1
377 1 17 LEU HB2 1 19 MET H . . 3.990 3.255 3.131 3.378 . 0 0 "[ . 1 . 2]" 1
378 1 17 LEU HB2 1 19 MET HG2 . . 4.500 3.439 2.247 4.467 . 0 0 "[ . 1 . 2]" 1
379 1 17 LEU HB2 1 19 MET QG . . 3.830 2.507 2.020 2.838 . 0 0 "[ . 1 . 2]" 1
380 1 17 LEU HB2 1 19 MET HG3 . . 4.500 2.645 2.290 2.874 . 0 0 "[ . 1 . 2]" 1
381 1 17 LEU HB3 1 17 LEU MD1 . . 3.090 2.356 2.200 2.480 . 0 0 "[ . 1 . 2]" 1
382 1 17 LEU HB3 1 17 LEU MD2 . . 3.490 2.347 2.287 2.402 . 0 0 "[ . 1 . 2]" 1
383 1 17 LEU HB3 1 19 MET QG . . 4.000 2.245 2.012 2.439 . 0 0 "[ . 1 . 2]" 1
384 1 17 LEU MD1 1 19 MET H . . 5.500 4.931 4.805 5.019 . 0 0 "[ . 1 . 2]" 1
385 1 17 LEU MD1 1 19 MET QG . . 4.210 3.044 2.609 3.554 . 0 0 "[ . 1 . 2]" 1
386 1 17 LEU MD1 1 54 GLU HA . . 4.080 3.875 3.485 4.081 0.001 19 0 "[ . 1 . 2]" 1
387 1 17 LEU MD1 1 54 GLU QB . . 3.830 3.104 2.238 3.773 . 0 0 "[ . 1 . 2]" 1
388 1 17 LEU MD1 1 57 VAL H . . 4.930 4.813 4.217 4.935 0.005 18 0 "[ . 1 . 2]" 1
389 1 17 LEU MD1 1 57 VAL HB . . 3.320 3.221 2.715 3.326 0.006 6 0 "[ . 1 . 2]" 1
390 1 17 LEU MD1 1 57 VAL QG . . 3.390 2.777 2.499 2.937 . 0 0 "[ . 1 . 2]" 1
391 1 17 LEU MD2 1 18 ARG H . . 4.850 4.626 4.528 4.739 . 0 0 "[ . 1 . 2]" 1
392 1 17 LEU MD2 1 19 MET H . . 5.500 5.260 5.117 5.394 . 0 0 "[ . 1 . 2]" 1
393 1 18 ARG H 1 18 ARG HA . . 2.880 2.281 2.275 2.289 . 0 0 "[ . 1 . 2]" 1
394 1 18 ARG H 1 18 ARG HB2 . . 4.110 3.433 3.284 3.567 . 0 0 "[ . 1 . 2]" 1
395 1 18 ARG H 1 18 ARG QB . . 3.550 3.249 3.147 3.335 . 0 0 "[ . 1 . 2]" 1
396 1 18 ARG H 1 18 ARG HB3 . . 4.110 4.022 3.936 4.063 . 0 0 "[ . 1 . 2]" 1
397 1 18 ARG H 1 18 ARG QD . . 4.460 3.965 3.016 4.466 0.006 19 0 "[ . 1 . 2]" 1
398 1 18 ARG H 1 18 ARG QG . . 3.430 2.611 2.337 2.813 . 0 0 "[ . 1 . 2]" 1
399 1 18 ARG H 1 19 MET H . . 3.430 2.775 2.692 2.839 . 0 0 "[ . 1 . 2]" 1
400 1 18 ARG H 1 20 ALA H . . 4.470 4.312 4.175 4.441 . 0 0 "[ . 1 . 2]" 1
401 1 18 ARG HA 1 18 ARG QD . . 4.210 3.061 1.994 4.218 0.008 19 0 "[ . 1 . 2]" 1
402 1 18 ARG HA 1 18 ARG QG . . 3.310 2.595 2.391 2.927 . 0 0 "[ . 1 . 2]" 1
403 1 18 ARG HA 1 20 ALA H . . 3.890 3.641 3.444 3.875 . 0 0 "[ . 1 . 2]" 1
404 1 18 ARG QB 1 18 ARG QD . . 3.370 2.243 2.072 2.661 . 0 0 "[ . 1 . 2]" 1
405 1 19 MET H 1 19 MET HB2 . . 3.420 2.396 2.288 2.513 . 0 0 "[ . 1 . 2]" 1
406 1 19 MET H 1 19 MET HB3 . . 3.900 3.604 3.559 3.634 . 0 0 "[ . 1 . 2]" 1
407 1 19 MET H 1 19 MET ME . . 4.970 4.919 4.831 4.962 . 0 0 "[ . 1 . 2]" 1
408 1 19 MET H 1 19 MET HG2 . . 4.160 3.168 2.277 4.007 . 0 0 "[ . 1 . 2]" 1
409 1 19 MET H 1 19 MET HG3 . . 4.160 3.157 2.632 3.579 . 0 0 "[ . 1 . 2]" 1
410 1 19 MET H 1 20 ALA H . . 3.140 2.315 2.189 2.433 . 0 0 "[ . 1 . 2]" 1
411 1 19 MET HA 1 19 MET ME . . 4.100 4.014 3.710 4.103 0.003 7 0 "[ . 1 . 2]" 1
412 1 19 MET HA 1 19 MET HG2 . . 3.870 2.629 2.418 2.823 . 0 0 "[ . 1 . 2]" 1
413 1 19 MET HA 1 19 MET HG3 . . 3.870 3.371 2.766 3.816 . 0 0 "[ . 1 . 2]" 1
414 1 19 MET HA 1 59 TRP HE1 . . 4.780 3.582 3.371 4.165 . 0 0 "[ . 1 . 2]" 1
415 1 19 MET HA 1 59 TRP HZ2 . . 3.690 3.372 2.198 3.692 0.002 3 0 "[ . 1 . 2]" 1
416 1 19 MET HB2 1 19 MET ME . . 3.650 3.243 3.084 3.354 . 0 0 "[ . 1 . 2]" 1
417 1 19 MET HB2 1 20 ALA H . . 3.770 2.918 2.680 3.165 . 0 0 "[ . 1 . 2]" 1
418 1 19 MET HB2 1 59 TRP HZ2 . . 4.390 3.560 3.165 3.907 . 0 0 "[ . 1 . 2]" 1
419 1 19 MET HB3 1 19 MET ME . . 3.130 2.393 1.986 2.588 . 0 0 "[ . 1 . 2]" 1
420 1 19 MET HB3 1 20 ALA H . . 4.000 3.807 3.583 3.974 . 0 0 "[ . 1 . 2]" 1
421 1 19 MET HB3 1 20 ALA MB . . 4.230 4.069 3.940 4.229 . 0 0 "[ . 1 . 2]" 1
422 1 19 MET HB3 1 59 TRP HH2 . . 4.530 4.170 3.066 4.533 0.003 8 0 "[ . 1 . 2]" 1
423 1 19 MET HB3 1 59 TRP HZ2 . . 3.460 2.123 1.998 2.400 . 0 0 "[ . 1 . 2]" 1
424 1 19 MET ME 1 19 MET HG2 . . 3.910 2.883 2.197 3.358 . 0 0 "[ . 1 . 2]" 1
425 1 19 MET ME 1 19 MET QG . . 3.330 2.238 2.153 2.424 . 0 0 "[ . 1 . 2]" 1
426 1 19 MET ME 1 19 MET HG3 . . 3.910 2.735 2.181 3.386 . 0 0 "[ . 1 . 2]" 1
427 1 19 MET ME 1 35 VAL MG1 . . 3.670 2.851 2.497 3.138 . 0 0 "[ . 1 . 2]" 1
428 1 19 MET ME 1 35 VAL MG2 . . 3.630 3.481 3.192 3.629 . 0 0 "[ . 1 . 2]" 1
429 1 19 MET ME 1 57 VAL MG1 . . 4.610 2.012 1.827 2.291 . 0 0 "[ . 1 . 2]" 1
430 1 19 MET ME 1 57 VAL QG . . 3.220 2.008 1.824 2.283 . 0 0 "[ . 1 . 2]" 1
431 1 19 MET ME 1 57 VAL MG2 . . 4.610 4.210 4.010 4.487 . 0 0 "[ . 1 . 2]" 1
432 1 19 MET ME 1 58 THR H . . 4.350 4.262 4.057 4.352 0.002 12 0 "[ . 1 . 2]" 1
433 1 19 MET ME 1 58 THR HA . . 3.430 3.177 3.056 3.327 . 0 0 "[ . 1 . 2]" 1
434 1 19 MET ME 1 58 THR MG . . 5.220 5.051 4.958 5.140 . 0 0 "[ . 1 . 2]" 1
435 1 19 MET ME 1 59 TRP H . . 3.870 3.811 3.585 3.873 0.003 9 0 "[ . 1 . 2]" 1
436 1 19 MET ME 1 59 TRP HA . . 4.390 4.154 3.725 4.318 . 0 0 "[ . 1 . 2]" 1
437 1 19 MET ME 1 59 TRP HD1 . . 4.330 2.827 2.353 3.349 . 0 0 "[ . 1 . 2]" 1
438 1 19 MET ME 1 59 TRP HE1 . . 3.960 2.120 1.791 2.705 . 0 0 "[ . 1 . 2]" 1
439 1 19 MET ME 1 59 TRP HE3 . . 5.270 4.999 4.379 5.222 . 0 0 "[ . 1 . 2]" 1
440 1 19 MET ME 1 59 TRP HH2 . . 5.040 4.804 4.018 5.042 0.002 16 0 "[ . 1 . 2]" 1
441 1 19 MET ME 1 59 TRP HZ2 . . 3.920 3.312 2.457 3.604 . 0 0 "[ . 1 . 2]" 1
442 1 19 MET QG 1 59 TRP HE1 . . 4.090 3.376 2.493 4.095 0.005 9 0 "[ . 1 . 2]" 1
443 1 19 MET HG2 1 59 TRP HE1 . . 4.760 3.658 2.512 4.601 . 0 0 "[ . 1 . 2]" 1
444 1 19 MET HG3 1 59 TRP HE1 . . 4.760 4.379 4.050 4.765 0.005 9 0 "[ . 1 . 2]" 1
445 1 20 ALA H 1 20 ALA MB . . 3.170 2.493 2.402 2.560 . 0 0 "[ . 1 . 2]" 1
446 1 20 ALA H 1 26 ALA MB . . 4.890 4.497 4.268 4.792 . 0 0 "[ . 1 . 2]" 1
447 1 20 ALA MB 1 22 HIS H . . 3.840 3.553 3.185 3.804 . 0 0 "[ . 1 . 2]" 1
448 1 20 ALA MB 1 23 LEU HA . . 5.420 4.726 4.373 4.951 . 0 0 "[ . 1 . 2]" 1
449 1 20 ALA MB 1 25 ALA HA . . 5.500 4.851 4.658 5.028 . 0 0 "[ . 1 . 2]" 1
450 1 20 ALA MB 1 25 ALA MB . . 3.020 2.614 2.386 2.840 . 0 0 "[ . 1 . 2]" 1
451 1 20 ALA MB 1 26 ALA H . . 3.500 2.962 2.661 3.153 . 0 0 "[ . 1 . 2]" 1
452 1 20 ALA MB 1 26 ALA HA . . 3.280 2.494 2.324 2.778 . 0 0 "[ . 1 . 2]" 1
453 1 20 ALA MB 1 26 ALA MB . . 2.820 2.034 1.827 2.290 . 0 0 "[ . 1 . 2]" 1
454 1 20 ALA MB 1 29 PHE QB . . 4.560 4.028 3.817 4.293 . 0 0 "[ . 1 . 2]" 1
455 1 20 ALA MB 1 29 PHE QD . . 3.500 2.768 2.570 3.099 . 0 0 "[ . 1 . 2]" 1
456 1 20 ALA MB 1 29 PHE QE . . 3.480 3.203 2.676 3.482 0.002 17 0 "[ . 1 . 2]" 1
457 1 20 ALA MB 1 59 TRP HH2 . . 4.400 3.500 3.154 3.788 . 0 0 "[ . 1 . 2]" 1
458 1 20 ALA MB 1 59 TRP HZ2 . . 4.870 3.876 3.475 4.670 . 0 0 "[ . 1 . 2]" 1
459 1 21 GLN H 1 22 HIS H . . 4.000 2.686 2.541 3.056 . 0 0 "[ . 1 . 2]" 1
460 1 21 GLN HA 1 21 GLN HG2 . . 4.110 3.277 2.333 3.804 . 0 0 "[ . 1 . 2]" 1
461 1 21 GLN HA 1 21 GLN HG3 . . 4.110 2.961 2.255 3.820 . 0 0 "[ . 1 . 2]" 1
462 1 21 GLN QB 1 22 HIS H . . 3.750 2.133 1.887 3.184 . 0 0 "[ . 1 . 2]" 1
463 1 21 GLN QB 1 22 HIS HD2 . . 4.010 2.060 1.857 2.415 . 0 0 "[ . 1 . 2]" 1
464 1 21 GLN HB2 1 22 HIS H . . 4.330 2.755 1.981 3.602 . 0 0 "[ . 1 . 2]" 1
465 1 21 GLN HB2 1 22 HIS HD2 . . 4.560 2.850 2.050 3.775 . 0 0 "[ . 1 . 2]" 1
466 1 21 GLN HB3 1 22 HIS H . . 4.330 2.632 1.899 3.876 . 0 0 "[ . 1 . 2]" 1
467 1 21 GLN HB3 1 22 HIS HD2 . . 4.560 2.257 2.016 4.118 . 0 0 "[ . 1 . 2]" 1
468 1 21 GLN QG 1 22 HIS HD2 . . 4.460 3.042 1.884 4.092 . 0 0 "[ . 1 . 2]" 1
469 1 21 GLN HG2 1 22 HIS H . . 5.500 4.264 2.517 4.840 . 0 0 "[ . 1 . 2]" 1
470 1 21 GLN HG3 1 22 HIS H . . 5.500 4.077 1.897 4.883 . 0 0 "[ . 1 . 2]" 1
471 1 22 HIS H 1 22 HIS HB2 . . 4.190 3.721 3.676 3.790 . 0 0 "[ . 1 . 2]" 1
472 1 22 HIS H 1 22 HIS HB3 . . 4.190 3.382 3.293 3.649 . 0 0 "[ . 1 . 2]" 1
473 1 22 HIS H 1 23 LEU HA . . 5.500 5.263 5.082 5.360 . 0 0 "[ . 1 . 2]" 1
474 1 22 HIS H 1 25 ALA H . . 4.810 3.266 3.125 3.392 . 0 0 "[ . 1 . 2]" 1
475 1 22 HIS H 1 25 ALA HA . . 5.500 4.704 4.576 4.908 . 0 0 "[ . 1 . 2]" 1
476 1 22 HIS H 1 25 ALA MB . . 3.470 1.988 1.855 2.134 . 0 0 "[ . 1 . 2]" 1
477 1 22 HIS H 1 26 ALA H . . 4.560 3.704 3.471 3.895 . 0 0 "[ . 1 . 2]" 1
478 1 22 HIS H 1 26 ALA MB . . 4.640 4.497 4.291 4.643 0.003 1 0 "[ . 1 . 2]" 1
479 1 22 HIS QB 1 24 GLN H . . 4.000 2.844 2.658 2.954 . 0 0 "[ . 1 . 2]" 1
480 1 22 HIS QB 1 25 ALA MB . . 4.380 3.762 3.638 4.082 . 0 0 "[ . 1 . 2]" 1
481 1 22 HIS HB2 1 24 GLN H . . 4.790 2.873 2.681 2.987 . 0 0 "[ . 1 . 2]" 1
482 1 22 HIS HB3 1 24 GLN H . . 4.790 4.562 4.395 4.668 . 0 0 "[ . 1 . 2]" 1
483 1 22 HIS HE1 1 24 GLN H . . 4.570 4.434 4.296 4.570 . 18 0 "[ . 1 . 2]" 1
484 1 22 HIS HE1 1 24 GLN HB2 . . 3.910 3.698 3.545 3.809 . 0 0 "[ . 1 . 2]" 1
485 1 22 HIS HE1 1 24 GLN HB3 . . 3.580 2.128 2.001 2.303 . 0 0 "[ . 1 . 2]" 1
486 1 22 HIS HE1 1 24 GLN QG . . 4.280 3.789 3.369 4.095 . 0 0 "[ . 1 . 2]" 1
487 1 22 HIS HE1 1 25 ALA H . . 3.770 3.251 3.049 3.495 . 0 0 "[ . 1 . 2]" 1
488 1 22 HIS HE1 1 25 ALA HA . . 4.310 3.744 3.413 3.958 . 0 0 "[ . 1 . 2]" 1
489 1 22 HIS HE1 1 25 ALA MB . . 3.400 3.158 2.975 3.354 . 0 0 "[ . 1 . 2]" 1
490 1 23 LEU H 1 24 GLN H . . 4.420 2.809 2.721 2.869 . 0 0 "[ . 1 . 2]" 1
491 1 23 LEU HA 1 23 LEU MD1 . . 2.930 2.087 1.967 2.293 . 0 0 "[ . 1 . 2]" 1
492 1 23 LEU HA 1 23 LEU MD2 . . 3.940 3.899 3.864 3.954 0.014 10 0 "[ . 1 . 2]" 1
493 1 23 LEU HA 1 23 LEU HG . . 3.950 3.143 3.047 3.307 . 0 0 "[ . 1 . 2]" 1
494 1 23 LEU HA 1 26 ALA H . . 3.890 3.527 3.436 3.627 . 0 0 "[ . 1 . 2]" 1
495 1 23 LEU HA 1 26 ALA MB . . 3.120 2.857 2.420 3.013 . 0 0 "[ . 1 . 2]" 1
496 1 23 LEU HA 1 27 VAL H . . 4.310 3.901 3.694 4.064 . 0 0 "[ . 1 . 2]" 1
497 1 23 LEU HA 1 27 VAL MG2 . . 3.900 3.519 3.302 3.761 . 0 0 "[ . 1 . 2]" 1
498 1 23 LEU QB 1 23 LEU MD1 . . 3.180 2.292 2.203 2.340 . 0 0 "[ . 1 . 2]" 1
499 1 23 LEU QB 1 23 LEU MD2 . . 2.910 2.087 2.056 2.097 . 0 0 "[ . 1 . 2]" 1
500 1 23 LEU QB 1 24 GLN H . . 3.330 2.457 2.370 2.566 . 0 0 "[ . 1 . 2]" 1
501 1 23 LEU HB2 1 23 LEU MD2 . . 3.550 2.345 2.294 2.461 . 0 0 "[ . 1 . 2]" 1
502 1 23 LEU HB2 1 24 GLN H . . 4.030 3.831 3.765 3.918 . 0 0 "[ . 1 . 2]" 1
503 1 23 LEU HB3 1 23 LEU MD2 . . 3.550 2.343 2.271 2.393 . 0 0 "[ . 1 . 2]" 1
504 1 23 LEU HB3 1 24 GLN H . . 4.030 2.487 2.396 2.605 . 0 0 "[ . 1 . 2]" 1
505 1 23 LEU MD1 1 24 GLN H . . 4.680 4.449 4.263 4.595 . 0 0 "[ . 1 . 2]" 1
506 1 23 LEU MD1 1 26 ALA H . . 4.860 4.690 4.487 4.826 . 0 0 "[ . 1 . 2]" 1
507 1 23 LEU MD1 1 26 ALA MB . . 3.270 3.189 2.996 3.278 0.008 10 0 "[ . 1 . 2]" 1
508 1 23 LEU MD1 1 27 VAL H . . 4.190 3.924 3.649 4.078 . 0 0 "[ . 1 . 2]" 1
509 1 23 LEU MD2 1 24 GLN H . . 4.490 4.171 3.895 4.314 . 0 0 "[ . 1 . 2]" 1
510 1 23 LEU MD2 1 24 GLN HB2 . . 5.440 4.961 4.607 5.217 . 0 0 "[ . 1 . 2]" 1
511 1 23 LEU MD2 1 24 GLN QG . . 5.500 5.327 5.169 5.509 0.009 10 0 "[ . 1 . 2]" 1
512 1 23 LEU HG 1 24 GLN HA . . 4.450 3.655 3.428 3.876 . 0 0 "[ . 1 . 2]" 1
513 1 24 GLN H 1 24 GLN HB2 . . 3.080 2.217 2.191 2.258 . 0 0 "[ . 1 . 2]" 1
514 1 24 GLN H 1 24 GLN HB3 . . 3.280 2.882 2.831 2.918 . 0 0 "[ . 1 . 2]" 1
515 1 24 GLN H 1 24 GLN QG . . 4.080 3.858 3.803 4.028 . 0 0 "[ . 1 . 2]" 1
516 1 24 GLN H 1 25 ALA H . . 3.580 2.679 2.623 2.747 . 0 0 "[ . 1 . 2]" 1
517 1 24 GLN H 1 25 ALA MB . . 4.470 4.311 4.243 4.370 . 0 0 "[ . 1 . 2]" 1
518 1 24 GLN H 1 26 ALA H . . 4.460 4.324 4.233 4.399 . 0 0 "[ . 1 . 2]" 1
519 1 24 GLN HA 1 24 GLN QG . . 3.370 2.366 2.178 2.862 . 0 0 "[ . 1 . 2]" 1
520 1 24 GLN HA 1 27 VAL H . . 3.900 3.684 3.609 3.823 . 0 0 "[ . 1 . 2]" 1
521 1 24 GLN HA 1 27 VAL HB . . 3.590 2.815 2.708 3.037 . 0 0 "[ . 1 . 2]" 1
522 1 24 GLN HA 1 27 VAL MG1 . . 4.380 4.102 4.010 4.266 . 0 0 "[ . 1 . 2]" 1
523 1 24 GLN HA 1 27 VAL MG2 . . 3.700 3.206 2.864 3.427 . 0 0 "[ . 1 . 2]" 1
524 1 24 GLN HB2 1 25 ALA H . . 4.140 3.650 3.541 3.699 . 0 0 "[ . 1 . 2]" 1
525 1 24 GLN HB3 1 25 ALA H . . 4.110 2.730 2.572 2.780 . 0 0 "[ . 1 . 2]" 1
526 1 24 GLN HB3 1 25 ALA HA . . 4.800 3.996 3.970 4.034 . 0 0 "[ . 1 . 2]" 1
527 1 24 GLN HB3 1 25 ALA MB . . 4.180 3.867 3.808 3.972 . 0 0 "[ . 1 . 2]" 1
528 1 24 GLN HB3 1 26 ALA H . . 5.480 5.201 5.058 5.259 . 0 0 "[ . 1 . 2]" 1
529 1 24 GLN QG 1 27 VAL MG1 . . 5.500 4.653 4.421 5.245 . 0 0 "[ . 1 . 2]" 1
530 1 25 ALA H 1 25 ALA MB . . 3.170 2.117 2.033 2.208 . 0 0 "[ . 1 . 2]" 1
531 1 25 ALA H 1 26 ALA H . . 3.360 2.645 2.598 2.676 . 0 0 "[ . 1 . 2]" 1
532 1 25 ALA HA 1 28 ALA H . . 3.820 3.682 3.586 3.767 . 0 0 "[ . 1 . 2]" 1
533 1 25 ALA HA 1 28 ALA MB . . 3.160 2.849 2.616 3.054 . 0 0 "[ . 1 . 2]" 1
534 1 25 ALA HA 1 29 PHE H . . 4.520 4.036 3.782 4.271 . 0 0 "[ . 1 . 2]" 1
535 1 25 ALA MB 1 26 ALA H . . 3.190 2.484 2.396 2.590 . 0 0 "[ . 1 . 2]" 1
536 1 25 ALA MB 1 26 ALA HA . . 4.230 3.704 3.660 3.765 . 0 0 "[ . 1 . 2]" 1
537 1 25 ALA MB 1 26 ALA MB . . 4.090 3.620 3.552 3.793 . 0 0 "[ . 1 . 2]" 1
538 1 25 ALA MB 1 29 PHE QE . . 4.040 2.463 1.990 2.837 . 0 0 "[ . 1 . 2]" 1
539 1 26 ALA H 1 26 ALA MB . . 2.930 2.197 2.072 2.237 . 0 0 "[ . 1 . 2]" 1
540 1 26 ALA H 1 27 VAL H . . 3.480 2.685 2.634 2.735 . 0 0 "[ . 1 . 2]" 1
541 1 26 ALA H 1 27 VAL HB . . 5.500 4.872 4.782 4.939 . 0 0 "[ . 1 . 2]" 1
542 1 26 ALA H 1 27 VAL MG2 . . 5.180 4.209 4.101 4.389 . 0 0 "[ . 1 . 2]" 1
543 1 26 ALA H 1 28 ALA H . . 4.610 4.258 4.182 4.324 . 0 0 "[ . 1 . 2]" 1
544 1 26 ALA HA 1 29 PHE H . . 4.030 3.635 3.532 3.741 . 0 0 "[ . 1 . 2]" 1
545 1 26 ALA HA 1 29 PHE QB . . 3.910 2.703 2.557 2.844 . 0 0 "[ . 1 . 2]" 1
546 1 26 ALA HA 1 29 PHE QD . . 3.440 2.255 2.095 2.482 . 0 0 "[ . 1 . 2]" 1
547 1 26 ALA HA 1 29 PHE QE . . 4.720 4.272 3.991 4.545 . 0 0 "[ . 1 . 2]" 1
548 1 26 ALA HA 1 30 VAL H . . 4.800 4.237 4.102 4.313 . 0 0 "[ . 1 . 2]" 1
549 1 26 ALA MB 1 27 VAL H . . 3.290 2.519 2.497 2.591 . 0 0 "[ . 1 . 2]" 1
550 1 26 ALA MB 1 27 VAL HA . . 4.410 3.786 3.693 3.826 . 0 0 "[ . 1 . 2]" 1
551 1 26 ALA MB 1 27 VAL MG2 . . 3.450 3.039 2.893 3.205 . 0 0 "[ . 1 . 2]" 1
552 1 26 ALA MB 1 28 ALA H . . 4.840 4.616 4.577 4.665 . 0 0 "[ . 1 . 2]" 1
553 1 26 ALA MB 1 29 PHE H . . 4.950 4.716 4.617 4.797 . 0 0 "[ . 1 . 2]" 1
554 1 26 ALA MB 1 29 PHE QD . . 4.130 3.805 3.682 4.004 . 0 0 "[ . 1 . 2]" 1
555 1 27 VAL H 1 27 VAL HB . . 3.030 2.496 2.424 2.556 . 0 0 "[ . 1 . 2]" 1
556 1 27 VAL H 1 27 VAL MG1 . . 3.940 3.758 3.744 3.764 . 0 0 "[ . 1 . 2]" 1
557 1 27 VAL H 1 27 VAL MG2 . . 2.890 2.199 2.079 2.433 . 0 0 "[ . 1 . 2]" 1
558 1 27 VAL H 1 28 ALA H . . 3.340 2.704 2.664 2.742 . 0 0 "[ . 1 . 2]" 1
559 1 27 VAL H 1 28 ALA MB . . 4.500 4.311 4.227 4.384 . 0 0 "[ . 1 . 2]" 1
560 1 27 VAL H 1 29 PHE H . . 4.820 4.141 4.018 4.248 . 0 0 "[ . 1 . 2]" 1
561 1 27 VAL HA 1 27 VAL MG1 . . 3.160 2.419 2.304 2.493 . 0 0 "[ . 1 . 2]" 1
562 1 27 VAL HA 1 27 VAL MG2 . . 3.030 2.365 2.193 2.431 . 0 0 "[ . 1 . 2]" 1
563 1 27 VAL HA 1 30 VAL H . . 4.230 3.611 3.494 3.673 . 0 0 "[ . 1 . 2]" 1
564 1 27 VAL HA 1 30 VAL HB . . 3.680 3.108 2.935 3.290 . 0 0 "[ . 1 . 2]" 1
565 1 27 VAL HA 1 30 VAL MG1 . . 4.490 4.346 4.203 4.489 . 0 0 "[ . 1 . 2]" 1
566 1 27 VAL HA 1 30 VAL MG2 . . 3.830 2.790 2.352 3.269 . 0 0 "[ . 1 . 2]" 1
567 1 27 VAL HA 1 31 GLU H . . 4.560 4.297 4.166 4.405 . 0 0 "[ . 1 . 2]" 1
568 1 27 VAL HA 1 45 PRO HB2 . . 4.310 3.761 3.403 4.036 . 0 0 "[ . 1 . 2]" 1
569 1 27 VAL HA 1 45 PRO HB3 . . 3.500 2.461 2.255 2.646 . 0 0 "[ . 1 . 2]" 1
570 1 27 VAL HB 1 28 ALA H . . 3.230 2.505 2.436 2.552 . 0 0 "[ . 1 . 2]" 1
571 1 27 VAL HB 1 28 ALA MB . . 4.020 3.908 3.814 4.000 . 0 0 "[ . 1 . 2]" 1
572 1 27 VAL HB 1 29 PHE H . . 5.160 4.993 4.902 5.075 . 0 0 "[ . 1 . 2]" 1
573 1 27 VAL MG1 1 28 ALA H . . 3.680 3.308 3.110 3.421 . 0 0 "[ . 1 . 2]" 1
574 1 27 VAL MG1 1 28 ALA HA . . 3.800 3.378 3.140 3.577 . 0 0 "[ . 1 . 2]" 1
575 1 27 VAL MG1 1 28 ALA MB . . 4.190 3.990 3.751 4.142 . 0 0 "[ . 1 . 2]" 1
576 1 27 VAL MG1 1 31 GLU H . . 4.370 3.974 3.807 4.164 . 0 0 "[ . 1 . 2]" 1
577 1 27 VAL MG1 1 31 GLU QG . . 3.440 2.789 2.492 3.112 . 0 0 "[ . 1 . 2]" 1
578 1 27 VAL MG1 1 45 PRO HG3 . . 3.530 2.131 1.970 2.489 . 0 0 "[ . 1 . 2]" 1
579 1 27 VAL MG2 1 28 ALA H . . 3.870 3.830 3.785 3.872 0.002 14 0 "[ . 1 . 2]" 1
580 1 28 ALA H 1 28 ALA MB . . 2.700 2.127 2.026 2.233 . 0 0 "[ . 1 . 2]" 1
581 1 28 ALA H 1 29 PHE H . . 3.420 2.703 2.634 2.755 . 0 0 "[ . 1 . 2]" 1
582 1 28 ALA H 1 30 VAL H . . 4.540 4.241 4.158 4.286 . 0 0 "[ . 1 . 2]" 1
583 1 28 ALA HA 1 30 VAL H . . 4.470 4.436 4.366 4.473 0.003 14 0 "[ . 1 . 2]" 1
584 1 28 ALA HA 1 31 GLU H . . 4.040 3.594 3.457 3.702 . 0 0 "[ . 1 . 2]" 1
585 1 28 ALA HA 1 31 GLU QB . . 4.100 2.910 2.630 3.128 . 0 0 "[ . 1 . 2]" 1
586 1 28 ALA HA 1 31 GLU QG . . 4.280 3.747 3.117 4.182 . 0 0 "[ . 1 . 2]" 1
587 1 28 ALA HA 1 32 GLN H . . 4.560 4.161 3.998 4.328 . 0 0 "[ . 1 . 2]" 1
588 1 28 ALA HA 1 32 GLN QE . . 4.600 3.900 3.041 4.345 . 0 0 "[ . 1 . 2]" 1
589 1 28 ALA HA 1 32 GLN QG . . 4.660 3.872 3.617 4.348 . 0 0 "[ . 1 . 2]" 1
590 1 28 ALA MB 1 29 PHE H . . 3.200 2.590 2.455 2.738 . 0 0 "[ . 1 . 2]" 1
591 1 28 ALA MB 1 30 VAL H . . 4.850 4.564 4.505 4.652 . 0 0 "[ . 1 . 2]" 1
592 1 28 ALA MB 1 32 GLN HE21 . . 3.760 2.526 1.871 3.045 . 0 0 "[ . 1 . 2]" 1
593 1 28 ALA MB 1 32 GLN HE22 . . 3.760 3.266 2.444 3.759 . 0 0 "[ . 1 . 2]" 1
594 1 28 ALA MB 1 32 GLN QG . . 4.600 3.496 3.214 3.932 . 0 0 "[ . 1 . 2]" 1
595 1 29 PHE H 1 29 PHE QB . . 3.130 2.317 2.207 2.389 . 0 0 "[ . 1 . 2]" 1
596 1 29 PHE H 1 29 PHE QD . . 4.010 3.248 3.166 3.388 . 0 0 "[ . 1 . 2]" 1
597 1 29 PHE H 1 30 VAL H . . 3.410 2.724 2.636 2.766 . 0 0 "[ . 1 . 2]" 1
598 1 29 PHE H 1 31 GLU H . . 4.720 4.360 4.154 4.468 . 0 0 "[ . 1 . 2]" 1
599 1 29 PHE HA 1 29 PHE QD . . 3.550 2.044 1.995 2.186 . 0 0 "[ . 1 . 2]" 1
600 1 29 PHE HA 1 29 PHE QE . . 4.330 4.231 4.157 4.274 . 0 0 "[ . 1 . 2]" 1
601 1 29 PHE HA 1 32 GLN H . . 4.640 3.461 3.410 3.529 . 0 0 "[ . 1 . 2]" 1
602 1 29 PHE HA 1 32 GLN QB . . 4.520 2.438 2.286 2.782 . 0 0 "[ . 1 . 2]" 1
603 1 29 PHE HA 1 34 HIS H . . 4.620 4.033 3.764 4.283 . 0 0 "[ . 1 . 2]" 1
604 1 29 PHE HA 1 34 HIS HD2 . . 3.600 2.427 2.064 2.706 . 0 0 "[ . 1 . 2]" 1
605 1 29 PHE QB 1 30 VAL H . . 3.420 2.572 2.528 2.650 . 0 0 "[ . 1 . 2]" 1
606 1 29 PHE QB 1 30 VAL MG2 . . 4.500 3.137 3.009 3.274 . 0 0 "[ . 1 . 2]" 1
607 1 29 PHE QB 1 34 HIS HB2 . . 4.220 2.574 2.221 3.006 . 0 0 "[ . 1 . 2]" 1
608 1 29 PHE QB 1 34 HIS HB3 . . 4.220 3.260 2.877 3.885 . 0 0 "[ . 1 . 2]" 1
609 1 29 PHE QB 1 35 VAL MG2 . . 3.320 2.405 2.257 2.606 . 0 0 "[ . 1 . 2]" 1
610 1 29 PHE QB 1 59 TRP HE3 . . 5.170 4.472 4.027 4.873 . 0 0 "[ . 1 . 2]" 1
611 1 29 PHE QB 1 59 TRP HH2 . . 4.440 3.201 2.786 4.260 . 0 0 "[ . 1 . 2]" 1
612 1 29 PHE QB 1 59 TRP HZ3 . . 4.040 2.451 1.990 3.169 . 0 0 "[ . 1 . 2]" 1
613 1 29 PHE QD 1 30 VAL H . . 4.790 4.443 4.381 4.520 . 0 0 "[ . 1 . 2]" 1
614 1 29 PHE QD 1 34 HIS HB2 . . 4.920 2.893 2.623 3.207 . 0 0 "[ . 1 . 2]" 1
615 1 29 PHE QD 1 34 HIS QB . . 4.320 2.737 2.457 3.029 . 0 0 "[ . 1 . 2]" 1
616 1 29 PHE QD 1 34 HIS HB3 . . 4.920 3.382 2.965 3.783 . 0 0 "[ . 1 . 2]" 1
617 1 29 PHE QD 1 34 HIS HD2 . . 4.050 2.323 2.053 2.692 . 0 0 "[ . 1 . 2]" 1
618 1 29 PHE QD 1 59 TRP HH2 . . 4.360 3.048 2.647 3.913 . 0 0 "[ . 1 . 2]" 1
619 1 29 PHE QD 1 59 TRP HZ3 . . 4.570 3.429 3.028 3.908 . 0 0 "[ . 1 . 2]" 1
620 1 29 PHE QE 1 34 HIS HD2 . . 4.460 4.056 3.846 4.389 . 0 0 "[ . 1 . 2]" 1
621 1 29 PHE QE 1 59 TRP HH2 . . 5.300 3.937 3.660 4.386 . 0 0 "[ . 1 . 2]" 1
622 1 29 PHE QE 1 59 TRP HZ3 . . 5.100 4.522 4.172 4.837 . 0 0 "[ . 1 . 2]" 1
623 1 30 VAL H 1 30 VAL HB . . 3.090 2.564 2.413 2.675 . 0 0 "[ . 1 . 2]" 1
624 1 30 VAL H 1 30 VAL MG1 . . 3.790 3.760 3.739 3.766 . 0 0 "[ . 1 . 2]" 1
625 1 30 VAL H 1 30 VAL MG2 . . 3.120 2.109 1.932 2.266 . 0 0 "[ . 1 . 2]" 1
626 1 30 VAL H 1 31 GLU H . . 3.500 2.768 2.655 2.833 . 0 0 "[ . 1 . 2]" 1
627 1 30 VAL H 1 35 VAL HB . . 5.500 5.068 4.789 5.291 . 0 0 "[ . 1 . 2]" 1
628 1 30 VAL H 1 35 VAL MG2 . . 4.250 4.201 4.091 4.251 0.001 20 0 "[ . 1 . 2]" 1
629 1 30 VAL H 1 45 PRO HB3 . . 5.500 4.841 4.601 5.091 . 0 0 "[ . 1 . 2]" 1
630 1 30 VAL HA 1 30 VAL MG1 . . 3.140 2.376 2.264 2.499 . 0 0 "[ . 1 . 2]" 1
631 1 30 VAL HA 1 30 VAL MG2 . . 3.240 2.398 2.309 2.480 . 0 0 "[ . 1 . 2]" 1
632 1 30 VAL HA 1 32 GLN H . . 4.920 4.161 3.936 4.340 . 0 0 "[ . 1 . 2]" 1
633 1 30 VAL HA 1 35 VAL H . . 4.480 3.240 2.981 3.477 . 0 0 "[ . 1 . 2]" 1
634 1 30 VAL HA 1 35 VAL HB . . 3.950 3.252 2.921 3.505 . 0 0 "[ . 1 . 2]" 1
635 1 30 VAL HA 1 35 VAL MG1 . . 5.030 4.728 4.411 4.965 . 0 0 "[ . 1 . 2]" 1
636 1 30 VAL HA 1 35 VAL MG2 . . 3.930 3.651 3.523 3.847 . 0 0 "[ . 1 . 2]" 1
637 1 30 VAL HB 1 31 GLU H . . 3.530 2.427 2.307 2.659 . 0 0 "[ . 1 . 2]" 1
638 1 30 VAL HB 1 45 PRO HA . . 4.500 3.323 3.041 3.503 . 0 0 "[ . 1 . 2]" 1
639 1 30 VAL MG1 1 31 GLU H . . 3.870 3.310 2.965 3.686 . 0 0 "[ . 1 . 2]" 1
640 1 30 VAL MG1 1 31 GLU QG . . 4.400 3.473 3.100 3.990 . 0 0 "[ . 1 . 2]" 1
641 1 30 VAL MG1 1 42 VAL HA . . 5.500 4.906 4.701 5.208 . 0 0 "[ . 1 . 2]" 1
642 1 30 VAL MG1 1 43 THR H . . 4.480 4.123 3.860 4.407 . 0 0 "[ . 1 . 2]" 1
643 1 30 VAL MG1 1 44 ASP H . . 4.120 2.781 2.301 3.383 . 0 0 "[ . 1 . 2]" 1
644 1 30 VAL MG1 1 45 PRO HA . . 3.070 1.990 1.969 2.032 . 0 0 "[ . 1 . 2]" 1
645 1 30 VAL MG1 1 45 PRO HB2 . . 4.180 4.178 4.072 4.203 0.023 15 0 "[ . 1 . 2]" 1
646 1 30 VAL MG1 1 45 PRO HB3 . . 3.500 3.188 3.041 3.266 . 0 0 "[ . 1 . 2]" 1
647 1 30 VAL MG1 1 45 PRO HD2 . . 4.410 3.723 3.483 3.964 . 0 0 "[ . 1 . 2]" 1
648 1 30 VAL MG1 1 45 PRO QD . . 3.850 2.699 2.341 2.981 . 0 0 "[ . 1 . 2]" 1
649 1 30 VAL MG1 1 45 PRO HD3 . . 4.410 2.772 2.379 3.081 . 0 0 "[ . 1 . 2]" 1
650 1 30 VAL MG1 1 45 PRO HG2 . . 4.750 4.548 4.364 4.659 . 0 0 "[ . 1 . 2]" 1
651 1 30 VAL MG1 1 45 PRO HG3 . . 4.460 4.255 3.980 4.403 . 0 0 "[ . 1 . 2]" 1
652 1 30 VAL MG1 1 47 PHE H . . 4.310 3.999 3.867 4.250 . 0 0 "[ . 1 . 2]" 1
653 1 30 VAL MG1 1 47 PHE QB . . 4.530 3.616 3.485 3.770 . 0 0 "[ . 1 . 2]" 1
654 1 30 VAL MG2 1 31 GLU H . . 4.080 3.752 3.652 3.874 . 0 0 "[ . 1 . 2]" 1
655 1 30 VAL MG2 1 35 VAL HB . . 3.930 3.293 2.939 3.642 . 0 0 "[ . 1 . 2]" 1
656 1 30 VAL MG2 1 45 PRO HA . . 3.890 2.708 2.478 3.019 . 0 0 "[ . 1 . 2]" 1
657 1 30 VAL MG2 1 45 PRO HB3 . . 4.110 2.964 2.631 3.415 . 0 0 "[ . 1 . 2]" 1
658 1 31 GLU H 1 31 GLU HB2 . . 3.870 2.422 2.224 2.521 . 0 0 "[ . 1 . 2]" 1
659 1 31 GLU H 1 31 GLU QB . . 3.360 2.385 2.201 2.474 . 0 0 "[ . 1 . 2]" 1
660 1 31 GLU H 1 31 GLU HB3 . . 3.870 3.581 3.518 3.597 . 0 0 "[ . 1 . 2]" 1
661 1 31 GLU H 1 31 GLU HG2 . . 3.780 3.270 2.667 3.719 . 0 0 "[ . 1 . 2]" 1
662 1 31 GLU H 1 31 GLU QG . . 3.140 2.386 2.214 2.784 . 0 0 "[ . 1 . 2]" 1
663 1 31 GLU H 1 31 GLU HG3 . . 3.780 2.530 2.246 3.621 . 0 0 "[ . 1 . 2]" 1
664 1 31 GLU H 1 32 GLN H . . 3.550 2.568 2.522 2.641 . 0 0 "[ . 1 . 2]" 1
665 1 31 GLU HA 1 31 GLU HG2 . . 3.730 2.440 2.257 2.766 . 0 0 "[ . 1 . 2]" 1
666 1 31 GLU HA 1 31 GLU QG . . 3.230 2.364 2.215 2.561 . 0 0 "[ . 1 . 2]" 1
667 1 31 GLU HA 1 31 GLU HG3 . . 3.730 3.245 2.799 3.696 . 0 0 "[ . 1 . 2]" 1
668 1 31 GLU HA 1 43 THR HB . . 4.010 3.572 3.066 4.011 0.001 18 0 "[ . 1 . 2]" 1
669 1 31 GLU HA 1 43 THR MG . . 4.480 4.361 4.137 4.484 0.004 17 0 "[ . 1 . 2]" 1
670 1 31 GLU QB 1 32 GLN H . . 3.910 2.866 2.690 3.050 . 0 0 "[ . 1 . 2]" 1
671 1 31 GLU HB2 1 32 GLN H . . 4.480 2.959 2.773 3.168 . 0 0 "[ . 1 . 2]" 1
672 1 31 GLU HB3 1 32 GLN H . . 4.480 3.846 3.626 4.026 . 0 0 "[ . 1 . 2]" 1
673 1 31 GLU QG 1 45 PRO QD . . 3.710 2.093 1.842 2.321 . 0 0 "[ . 1 . 2]" 1
674 1 31 GLU QG 1 45 PRO HG3 . . 3.640 3.017 2.797 3.299 . 0 0 "[ . 1 . 2]" 1
675 1 31 GLU HG2 1 45 PRO HG3 . . 4.220 3.699 3.219 4.033 . 0 0 "[ . 1 . 2]" 1
676 1 31 GLU HG3 1 45 PRO HG3 . . 4.220 3.235 2.943 3.745 . 0 0 "[ . 1 . 2]" 1
677 1 32 GLN H 1 32 GLN HB2 . . 3.690 2.264 2.214 2.360 . 0 0 "[ . 1 . 2]" 1
678 1 32 GLN H 1 32 GLN QB . . 3.060 2.239 2.191 2.330 . 0 0 "[ . 1 . 2]" 1
679 1 32 GLN H 1 32 GLN HB3 . . 3.690 3.538 3.502 3.592 . 0 0 "[ . 1 . 2]" 1
680 1 32 GLN H 1 32 GLN HG2 . . 4.020 3.934 3.822 4.015 . 0 0 "[ . 1 . 2]" 1
681 1 32 GLN H 1 32 GLN QG . . 3.270 2.873 2.584 3.080 . 0 0 "[ . 1 . 2]" 1
682 1 32 GLN H 1 32 GLN HG3 . . 4.020 2.959 2.627 3.204 . 0 0 "[ . 1 . 2]" 1
683 1 32 GLN H 1 33 GLY H . . 3.520 2.720 2.535 2.866 . 0 0 "[ . 1 . 2]" 1
684 1 32 GLN H 1 33 GLY QA . . 5.340 4.439 4.348 4.493 . 0 0 "[ . 1 . 2]" 1
685 1 32 GLN H 1 34 HIS H . . 4.750 3.817 3.475 4.053 . 0 0 "[ . 1 . 2]" 1
686 1 32 GLN H 1 34 HIS HD2 . . 4.570 4.197 3.988 4.436 . 0 0 "[ . 1 . 2]" 1
687 1 32 GLN HA 1 32 GLN HG2 . . 3.630 2.374 2.198 2.640 . 0 0 "[ . 1 . 2]" 1
688 1 32 GLN HA 1 32 GLN QG . . 3.130 2.267 2.155 2.413 . 0 0 "[ . 1 . 2]" 1
689 1 32 GLN HA 1 32 GLN HG3 . . 3.630 2.932 2.779 3.141 . 0 0 "[ . 1 . 2]" 1
690 1 32 GLN QB 1 33 GLY H . . 4.130 3.624 3.390 3.726 . 0 0 "[ . 1 . 2]" 1
691 1 32 GLN QB 1 34 HIS H . . 4.260 3.513 3.110 3.841 . 0 0 "[ . 1 . 2]" 1
692 1 32 GLN QB 1 34 HIS HD2 . . 3.660 1.937 1.805 2.146 . 0 0 "[ . 1 . 2]" 1
693 1 32 GLN HB2 1 33 GLY H . . 4.820 3.921 3.617 4.083 . 0 0 "[ . 1 . 2]" 1
694 1 32 GLN HB2 1 34 HIS HD2 . . 4.280 2.123 2.025 2.343 . 0 0 "[ . 1 . 2]" 1
695 1 32 GLN HB3 1 33 GLY H . . 4.820 4.271 4.095 4.375 . 0 0 "[ . 1 . 2]" 1
696 1 32 GLN HB3 1 34 HIS HD2 . . 4.280 2.307 2.005 3.060 . 0 0 "[ . 1 . 2]" 1
697 1 33 GLY H 1 34 HIS H . . 3.410 2.934 2.697 3.088 . 0 0 "[ . 1 . 2]" 1
698 1 33 GLY H 1 41 VAL MG1 . . 5.500 5.463 5.352 5.504 0.004 15 0 "[ . 1 . 2]" 1
699 1 33 GLY H 1 43 THR MG . . 3.540 3.313 2.965 3.542 0.002 12 0 "[ . 1 . 2]" 1
700 1 33 GLY QA 1 35 VAL H . . 4.850 3.405 3.136 3.575 . 0 0 "[ . 1 . 2]" 1
701 1 33 GLY QA 1 41 VAL MG1 . . 3.600 3.426 3.328 3.513 . 0 0 "[ . 1 . 2]" 1
702 1 33 GLY HA2 1 41 VAL MG1 . . 4.250 3.694 3.600 3.771 . 0 0 "[ . 1 . 2]" 1
703 1 33 GLY HA2 1 43 THR MG . . 3.470 2.607 2.186 2.994 . 0 0 "[ . 1 . 2]" 1
704 1 33 GLY HA3 1 41 VAL MG1 . . 4.250 4.059 3.916 4.233 . 0 0 "[ . 1 . 2]" 1
705 1 33 GLY HA3 1 43 THR MG . . 3.470 2.884 2.494 3.385 . 0 0 "[ . 1 . 2]" 1
706 1 34 HIS H 1 34 HIS HB2 . . 3.730 2.283 2.209 2.353 . 0 0 "[ . 1 . 2]" 1
707 1 34 HIS H 1 34 HIS QB . . 3.150 2.257 2.186 2.323 . 0 0 "[ . 1 . 2]" 1
708 1 34 HIS H 1 34 HIS HB3 . . 3.730 3.541 3.502 3.586 . 0 0 "[ . 1 . 2]" 1
709 1 34 HIS H 1 34 HIS HD2 . . 4.070 3.968 3.729 4.048 . 0 0 "[ . 1 . 2]" 1
710 1 34 HIS H 1 35 VAL H . . 3.300 2.162 2.014 2.404 . 0 0 "[ . 1 . 2]" 1
711 1 34 HIS H 1 35 VAL MG2 . . 4.150 3.767 3.574 3.944 . 0 0 "[ . 1 . 2]" 1
712 1 34 HIS H 1 43 THR MG . . 5.270 4.972 4.694 5.239 . 0 0 "[ . 1 . 2]" 1
713 1 34 HIS H 1 60 VAL MG2 . . 4.680 3.826 3.314 4.168 . 0 0 "[ . 1 . 2]" 1
714 1 34 HIS HA 1 60 VAL HB . . 4.380 2.837 2.521 3.301 . 0 0 "[ . 1 . 2]" 1
715 1 34 HIS QB 1 35 VAL MG2 . . 3.540 2.649 2.573 2.745 . 0 0 "[ . 1 . 2]" 1
716 1 34 HIS QB 1 59 TRP HE3 . . 4.020 2.700 2.346 3.270 . 0 0 "[ . 1 . 2]" 1
717 1 34 HIS QB 1 59 TRP HZ3 . . 4.050 2.369 2.114 3.103 . 0 0 "[ . 1 . 2]" 1
718 1 34 HIS HB2 1 35 VAL MG2 . . 4.200 3.037 2.926 3.164 . 0 0 "[ . 1 . 2]" 1
719 1 34 HIS HB2 1 59 TRP HZ3 . . 4.630 3.224 2.934 4.070 . 0 0 "[ . 1 . 2]" 1
720 1 34 HIS HB3 1 35 VAL MG2 . . 4.200 2.927 2.751 3.141 . 0 0 "[ . 1 . 2]" 1
721 1 34 HIS HB3 1 59 TRP HZ3 . . 4.630 2.443 2.155 3.269 . 0 0 "[ . 1 . 2]" 1
722 1 35 VAL H 1 35 VAL HB . . 3.480 2.723 2.639 2.852 . 0 0 "[ . 1 . 2]" 1
723 1 35 VAL H 1 35 VAL MG1 . . 4.510 3.886 3.856 3.941 . 0 0 "[ . 1 . 2]" 1
724 1 35 VAL H 1 35 VAL MG2 . . 3.480 2.576 2.418 2.739 . 0 0 "[ . 1 . 2]" 1
725 1 35 VAL H 1 36 ARG H . . 4.880 4.434 4.382 4.485 . 0 0 "[ . 1 . 2]" 1
726 1 35 VAL H 1 41 VAL MG1 . . 4.990 4.976 4.888 5.003 0.013 14 0 "[ . 1 . 2]" 1
727 1 35 VAL H 1 60 VAL MG2 . . 4.140 3.121 2.624 3.619 . 0 0 "[ . 1 . 2]" 1
728 1 35 VAL HA 1 35 VAL MG1 . . 3.410 2.362 2.266 2.435 . 0 0 "[ . 1 . 2]" 1
729 1 35 VAL HA 1 35 VAL MG2 . . 3.370 2.494 2.423 2.556 . 0 0 "[ . 1 . 2]" 1
730 1 35 VAL HA 1 36 ARG H . . 2.930 2.202 2.163 2.222 . 0 0 "[ . 1 . 2]" 1
731 1 35 VAL HA 1 59 TRP HA . . 4.180 2.338 2.070 2.603 . 0 0 "[ . 1 . 2]" 1
732 1 35 VAL HA 1 59 TRP HE3 . . 4.750 3.347 3.153 3.534 . 0 0 "[ . 1 . 2]" 1
733 1 35 VAL HA 1 60 VAL H . . 4.080 2.456 1.982 2.778 . 0 0 "[ . 1 . 2]" 1
734 1 35 VAL HA 1 60 VAL MG2 . . 4.210 2.803 2.177 3.209 . 0 0 "[ . 1 . 2]" 1
735 1 35 VAL HB 1 36 ARG H . . 4.440 3.936 3.825 4.096 . 0 0 "[ . 1 . 2]" 1
736 1 35 VAL MG1 1 36 ARG H . . 3.330 2.269 2.030 2.529 . 0 0 "[ . 1 . 2]" 1
737 1 35 VAL MG1 1 36 ARG QB . . 4.830 4.355 4.282 4.448 . 0 0 "[ . 1 . 2]" 1
738 1 35 VAL MG1 1 57 VAL QG . . 2.960 2.501 2.309 2.687 . 0 0 "[ . 1 . 2]" 1
739 1 35 VAL MG1 1 58 THR H . . 3.870 3.592 3.305 3.804 . 0 0 "[ . 1 . 2]" 1
740 1 35 VAL MG1 1 59 TRP HE3 . . 4.440 4.123 3.826 4.402 . 0 0 "[ . 1 . 2]" 1
741 1 35 VAL MG2 1 36 ARG H . . 4.260 4.026 3.945 4.106 . 0 0 "[ . 1 . 2]" 1
742 1 35 VAL MG2 1 59 TRP HE3 . . 3.820 2.543 2.146 2.727 . 0 0 "[ . 1 . 2]" 1
743 1 35 VAL MG2 1 59 TRP HH2 . . 4.340 2.999 2.815 3.321 . 0 0 "[ . 1 . 2]" 1
744 1 35 VAL MG2 1 59 TRP HZ3 . . 3.690 2.212 1.988 2.405 . 0 0 "[ . 1 . 2]" 1
745 1 35 VAL MG2 1 60 VAL H . . 4.670 4.034 3.673 4.357 . 0 0 "[ . 1 . 2]" 1
746 1 36 ARG H 1 36 ARG QB . . 3.530 2.940 2.869 3.017 . 0 0 "[ . 1 . 2]" 1
747 1 36 ARG H 1 36 ARG HG2 . . 4.460 2.748 2.612 2.806 . 0 0 "[ . 1 . 2]" 1
748 1 36 ARG H 1 36 ARG QG . . 3.690 2.507 2.363 2.584 . 0 0 "[ . 1 . 2]" 1
749 1 36 ARG H 1 36 ARG HG3 . . 4.460 2.899 2.698 3.102 . 0 0 "[ . 1 . 2]" 1
750 1 36 ARG H 1 58 THR H . . 3.810 3.702 3.527 3.815 0.005 6 0 "[ . 1 . 2]" 1
751 1 36 ARG H 1 59 TRP HA . . 4.250 3.073 2.708 3.301 . 0 0 "[ . 1 . 2]" 1
752 1 36 ARG H 1 60 VAL H . . 4.400 3.369 3.050 3.684 . 0 0 "[ . 1 . 2]" 1
753 1 36 ARG H 1 60 VAL MG2 . . 3.800 3.097 2.377 3.560 . 0 0 "[ . 1 . 2]" 1
754 1 36 ARG HA 1 37 VAL H . . 3.220 2.334 2.284 2.354 . 0 0 "[ . 1 . 2]" 1
755 1 36 ARG HA 1 41 VAL HA . . 4.000 2.811 2.639 2.858 . 0 0 "[ . 1 . 2]" 1
756 1 36 ARG HA 1 42 VAL H . . 3.840 2.185 2.090 2.296 . 0 0 "[ . 1 . 2]" 1
757 1 36 ARG QB 1 36 ARG QD . . 3.240 2.132 2.090 2.262 . 0 0 "[ . 1 . 2]" 1
758 1 36 ARG QB 1 37 VAL H . . 4.030 2.611 2.544 2.703 . 0 0 "[ . 1 . 2]" 1
759 1 36 ARG QB 1 37 VAL MG2 . . 5.280 4.449 4.315 4.597 . 0 0 "[ . 1 . 2]" 1
760 1 36 ARG QB 1 40 ASP H . . 4.990 4.921 4.767 4.980 . 0 0 "[ . 1 . 2]" 1
761 1 36 ARG QB 1 41 VAL HA . . 4.010 1.985 1.965 2.045 . 0 0 "[ . 1 . 2]" 1
762 1 36 ARG QB 1 41 VAL MG2 . . 3.660 2.260 2.119 2.476 . 0 0 "[ . 1 . 2]" 1
763 1 36 ARG QB 1 42 VAL H . . 4.910 3.146 3.044 3.221 . 0 0 "[ . 1 . 2]" 1
764 1 36 ARG QB 1 58 THR H . . 5.280 5.053 4.839 5.199 . 0 0 "[ . 1 . 2]" 1
765 1 36 ARG QB 1 58 THR MG . . 4.160 3.885 3.759 4.100 . 0 0 "[ . 1 . 2]" 1
766 1 36 ARG QB 1 60 VAL HA . . 4.720 3.633 3.171 4.021 . 0 0 "[ . 1 . 2]" 1
767 1 36 ARG QB 1 60 VAL MG2 . . 3.880 2.218 1.953 2.626 . 0 0 "[ . 1 . 2]" 1
768 1 36 ARG QD 1 39 PRO HA . . 4.490 4.388 4.342 4.413 . 0 0 "[ . 1 . 2]" 1
769 1 36 ARG QD 1 40 ASP H . . 4.390 4.391 4.379 4.395 0.005 16 0 "[ . 1 . 2]" 1
770 1 36 ARG QD 1 41 VAL MG2 . . 3.520 2.513 2.164 3.011 . 0 0 "[ . 1 . 2]" 1
771 1 36 ARG QD 1 58 THR MG . . 4.110 2.865 2.158 3.392 . 0 0 "[ . 1 . 2]" 1
772 1 36 ARG QD 1 60 VAL HA . . 4.220 3.885 3.515 4.219 . 0 0 "[ . 1 . 2]" 1
773 1 36 ARG QD 1 60 VAL MG2 . . 4.130 3.788 3.325 4.130 . 0 0 "[ . 1 . 2]" 1
774 1 36 ARG QG 1 37 VAL H . . 4.200 3.574 3.414 3.807 . 0 0 "[ . 1 . 2]" 1
775 1 36 ARG QG 1 41 VAL HA . . 4.590 4.204 4.166 4.260 . 0 0 "[ . 1 . 2]" 1
776 1 36 ARG QG 1 41 VAL MG2 . . 4.760 3.734 3.492 3.966 . 0 0 "[ . 1 . 2]" 1
777 1 36 ARG QG 1 60 VAL MG2 . . 4.980 2.782 2.363 3.202 . 0 0 "[ . 1 . 2]" 1
778 1 36 ARG HG2 1 60 VAL HA . . 4.720 2.742 2.447 2.987 . 0 0 "[ . 1 . 2]" 1
779 1 36 ARG HG3 1 60 VAL HA . . 4.720 4.481 4.206 4.720 0.000 3 0 "[ . 1 . 2]" 1
780 1 37 VAL H 1 37 VAL HB . . 3.470 2.654 2.548 2.732 . 0 0 "[ . 1 . 2]" 1
781 1 37 VAL H 1 37 VAL MG1 . . 4.070 3.857 3.785 3.894 . 0 0 "[ . 1 . 2]" 1
782 1 37 VAL H 1 37 VAL MG2 . . 3.580 2.733 2.559 2.981 . 0 0 "[ . 1 . 2]" 1
783 1 37 VAL H 1 38 GLY H . . 4.360 4.192 4.172 4.224 . 0 0 "[ . 1 . 2]" 1
784 1 37 VAL H 1 40 ASP H . . 4.460 4.392 4.383 4.426 . 0 0 "[ . 1 . 2]" 1
785 1 37 VAL H 1 40 ASP HB2 . . 4.990 4.593 4.487 4.781 . 0 0 "[ . 1 . 2]" 1
786 1 37 VAL H 1 41 VAL HA . . 3.920 2.785 2.711 2.837 . 0 0 "[ . 1 . 2]" 1
787 1 37 VAL H 1 42 VAL H . . 4.570 2.614 2.281 2.971 . 0 0 "[ . 1 . 2]" 1
788 1 37 VAL H 1 42 VAL MG2 . . 3.720 2.746 2.488 3.076 . 0 0 "[ . 1 . 2]" 1
789 1 37 VAL HA 1 37 VAL MG1 . . 2.990 2.337 2.238 2.450 . 0 0 "[ . 1 . 2]" 1
790 1 37 VAL HA 1 37 VAL MG2 . . 3.200 2.396 2.233 2.499 . 0 0 "[ . 1 . 2]" 1
791 1 37 VAL HA 1 38 GLY H . . 2.970 2.151 2.149 2.153 . 0 0 "[ . 1 . 2]" 1
792 1 37 VAL HA 1 38 GLY QA . . 4.390 3.899 3.898 3.900 . 0 0 "[ . 1 . 2]" 1
793 1 37 VAL HA 1 57 VAL HA . . 3.810 2.587 2.424 2.721 . 0 0 "[ . 1 . 2]" 1
794 1 37 VAL HA 1 57 VAL MG1 . . 4.140 3.944 3.499 4.139 . 0 0 "[ . 1 . 2]" 1
795 1 37 VAL HA 1 57 VAL QG . . 3.440 3.291 3.002 3.443 0.003 7 0 "[ . 1 . 2]" 1
796 1 37 VAL HA 1 57 VAL MG2 . . 4.140 3.534 3.151 3.708 . 0 0 "[ . 1 . 2]" 1
797 1 37 VAL HA 1 58 THR H . . 4.000 3.225 3.038 3.411 . 0 0 "[ . 1 . 2]" 1
798 1 37 VAL HB 1 42 VAL H . . 4.920 4.273 3.886 4.698 . 0 0 "[ . 1 . 2]" 1
799 1 37 VAL HB 1 42 VAL MG2 . . 3.210 2.298 2.052 2.601 . 0 0 "[ . 1 . 2]" 1
800 1 37 VAL MG1 1 38 GLY H . . 3.670 2.984 2.899 3.040 . 0 0 "[ . 1 . 2]" 1
801 1 37 VAL MG1 1 38 GLY HA2 . . 4.530 4.235 4.143 4.308 . 0 0 "[ . 1 . 2]" 1
802 1 37 VAL MG1 1 38 GLY QA . . 3.980 3.248 3.108 3.361 . 0 0 "[ . 1 . 2]" 1
803 1 37 VAL MG1 1 38 GLY HA3 . . 4.530 3.375 3.211 3.516 . 0 0 "[ . 1 . 2]" 1
804 1 37 VAL MG1 1 42 VAL MG2 . . 3.740 3.452 3.122 3.674 . 0 0 "[ . 1 . 2]" 1
805 1 37 VAL MG1 1 47 PHE QD . . 4.320 4.285 4.032 4.326 0.006 19 0 "[ . 1 . 2]" 1
806 1 37 VAL MG1 1 47 PHE QE . . 3.270 2.286 2.012 2.475 . 0 0 "[ . 1 . 2]" 1
807 1 37 VAL MG1 1 47 PHE HZ . . 3.600 2.977 2.238 3.492 . 0 0 "[ . 1 . 2]" 1
808 1 37 VAL MG1 1 53 MET ME . . 3.080 2.054 1.743 2.981 . 0 0 "[ . 1 . 2]" 1
809 1 37 VAL MG1 1 53 MET HG2 . . 4.250 3.052 2.192 4.249 . 0 0 "[ . 1 . 2]" 1
810 1 37 VAL MG1 1 53 MET QG . . 3.730 2.431 1.851 3.437 . 0 0 "[ . 1 . 2]" 1
811 1 37 VAL MG1 1 53 MET HG3 . . 4.250 2.625 1.909 4.252 0.002 7 0 "[ . 1 . 2]" 1
812 1 37 VAL MG1 1 56 PHE HB2 . . 4.510 3.252 2.957 3.739 . 0 0 "[ . 1 . 2]" 1
813 1 37 VAL MG1 1 56 PHE HB3 . . 4.560 3.294 2.693 4.104 . 0 0 "[ . 1 . 2]" 1
814 1 37 VAL MG2 1 38 GLY H . . 4.290 4.164 4.052 4.233 . 0 0 "[ . 1 . 2]" 1
815 1 37 VAL MG2 1 42 VAL HA . . 5.500 4.948 4.671 5.182 . 0 0 "[ . 1 . 2]" 1
816 1 37 VAL MG2 1 42 VAL HB . . 3.740 2.908 2.418 3.214 . 0 0 "[ . 1 . 2]" 1
817 1 37 VAL MG2 1 42 VAL MG1 . . 3.840 3.480 3.226 3.777 . 0 0 "[ . 1 . 2]" 1
818 1 37 VAL MG2 1 42 VAL MG2 . . 3.000 1.972 1.848 2.220 . 0 0 "[ . 1 . 2]" 1
819 1 37 VAL MG2 1 47 PHE QD . . 3.740 2.770 2.560 3.013 . 0 0 "[ . 1 . 2]" 1
820 1 37 VAL MG2 1 47 PHE QE . . 4.580 1.978 1.839 2.226 . 0 0 "[ . 1 . 2]" 1
821 1 37 VAL MG2 1 47 PHE HZ . . 4.130 3.716 3.339 4.040 . 0 0 "[ . 1 . 2]" 1
822 1 37 VAL MG2 1 49 VAL QG . . 3.310 2.510 1.963 2.743 . 0 0 "[ . 1 . 2]" 1
823 1 37 VAL MG2 1 57 VAL MG1 . . 4.150 3.160 2.815 3.453 . 0 0 "[ . 1 . 2]" 1
824 1 37 VAL MG2 1 57 VAL QG . . 2.860 2.380 1.924 2.601 . 0 0 "[ . 1 . 2]" 1
825 1 37 VAL MG2 1 57 VAL MG2 . . 4.150 2.476 1.936 2.713 . 0 0 "[ . 1 . 2]" 1
826 1 38 GLY H 1 39 PRO QD . . 4.690 4.318 4.317 4.319 . 0 0 "[ . 1 . 2]" 1
827 1 38 GLY H 1 40 ASP H . . 5.140 4.538 4.517 4.544 . 0 0 "[ . 1 . 2]" 1
828 1 38 GLY H 1 56 PHE HB2 . . 4.480 4.246 4.023 4.481 0.001 13 0 "[ . 1 . 2]" 1
829 1 38 GLY H 1 56 PHE HB3 . . 3.710 2.944 2.744 3.304 . 0 0 "[ . 1 . 2]" 1
830 1 38 GLY H 1 57 VAL HA . . 4.110 3.414 3.020 3.640 . 0 0 "[ . 1 . 2]" 1
831 1 38 GLY QA 1 39 PRO QD . . 2.860 1.864 1.859 1.866 . 0 0 "[ . 1 . 2]" 1
832 1 38 GLY QA 1 39 PRO QG . . 4.060 3.646 3.645 3.647 . 0 0 "[ . 1 . 2]" 1
833 1 38 GLY QA 1 40 ASP H . . 4.530 3.106 3.103 3.115 . 0 0 "[ . 1 . 2]" 1
834 1 38 GLY QA 1 53 MET ME . . 4.210 2.940 2.154 4.183 . 0 0 "[ . 1 . 2]" 1
835 1 38 GLY QA 1 56 PHE HB2 . . 4.550 3.916 3.579 4.244 . 0 0 "[ . 1 . 2]" 1
836 1 38 GLY QA 1 56 PHE HB3 . . 3.580 2.580 2.387 2.818 . 0 0 "[ . 1 . 2]" 1
837 1 38 GLY HA2 1 39 PRO QG . . 4.900 4.667 4.663 4.682 . 0 0 "[ . 1 . 2]" 1
838 1 38 GLY HA2 1 56 PHE HB3 . . 4.190 2.878 2.498 3.127 . 0 0 "[ . 1 . 2]" 1
839 1 38 GLY HA3 1 39 PRO QG . . 4.900 3.806 3.801 3.808 . 0 0 "[ . 1 . 2]" 1
840 1 38 GLY HA3 1 56 PHE HB3 . . 4.190 2.947 2.753 3.203 . 0 0 "[ . 1 . 2]" 1
841 1 39 PRO QB 1 40 ASP H . . 4.040 3.736 3.734 3.738 . 0 0 "[ . 1 . 2]" 1
842 1 39 PRO QD 1 40 ASP H . . 3.750 2.972 2.969 2.974 . 0 0 "[ . 1 . 2]" 1
843 1 39 PRO HD2 1 40 ASP H . . 4.280 3.056 3.053 3.059 . 0 0 "[ . 1 . 2]" 1
844 1 39 PRO HD3 1 40 ASP H . . 4.280 4.057 4.056 4.059 . 0 0 "[ . 1 . 2]" 1
845 1 39 PRO QG 1 40 ASP H . . 3.810 3.308 3.305 3.313 . 0 0 "[ . 1 . 2]" 1
846 1 40 ASP H 1 40 ASP HB2 . . 3.370 2.621 2.527 2.709 . 0 0 "[ . 1 . 2]" 1
847 1 40 ASP H 1 40 ASP HB3 . . 3.990 3.761 3.697 3.795 . 0 0 "[ . 1 . 2]" 1
848 1 40 ASP H 1 41 VAL H . . 4.830 4.370 4.327 4.399 . 0 0 "[ . 1 . 2]" 1
849 1 40 ASP HA 1 41 VAL H . . 3.070 2.161 2.147 2.179 . 0 0 "[ . 1 . 2]" 1
850 1 40 ASP HB2 1 41 VAL H . . 4.380 4.173 4.094 4.262 . 0 0 "[ . 1 . 2]" 1
851 1 40 ASP HB2 1 42 VAL MG2 . . 4.060 3.881 3.643 4.066 0.006 17 0 "[ . 1 . 2]" 1
852 1 40 ASP HB3 1 41 VAL H . . 3.690 3.231 3.148 3.343 . 0 0 "[ . 1 . 2]" 1
853 1 40 ASP HB3 1 42 VAL MG2 . . 4.090 3.944 3.607 4.094 0.004 10 0 "[ . 1 . 2]" 1
854 1 41 VAL H 1 41 VAL HB . . 3.070 2.436 2.397 2.477 . 0 0 "[ . 1 . 2]" 1
855 1 41 VAL H 1 41 VAL MG1 . . 3.980 3.756 3.733 3.777 . 0 0 "[ . 1 . 2]" 1
856 1 41 VAL H 1 41 VAL MG2 . . 3.070 2.614 2.462 2.748 . 0 0 "[ . 1 . 2]" 1
857 1 41 VAL H 1 42 VAL H . . 4.770 4.395 4.324 4.510 . 0 0 "[ . 1 . 2]" 1
858 1 41 VAL HA 1 41 VAL MG1 . . 3.180 2.474 2.398 2.507 . 0 0 "[ . 1 . 2]" 1
859 1 41 VAL HA 1 41 VAL MG2 . . 3.170 2.281 2.177 2.381 . 0 0 "[ . 1 . 2]" 1
860 1 41 VAL HA 1 42 VAL H . . 3.030 2.147 2.141 2.162 . 0 0 "[ . 1 . 2]" 1
861 1 41 VAL HB 1 42 VAL H . . 5.450 4.344 4.179 4.426 . 0 0 "[ . 1 . 2]" 1
862 1 41 VAL MG1 1 42 VAL H . . 3.440 2.904 2.573 3.075 . 0 0 "[ . 1 . 2]" 1
863 1 41 VAL MG1 1 42 VAL HA . . 4.220 3.802 3.584 3.975 . 0 0 "[ . 1 . 2]" 1
864 1 41 VAL MG1 1 43 THR H . . 4.290 4.255 4.062 4.299 0.009 1 0 "[ . 1 . 2]" 1
865 1 41 VAL MG2 1 42 VAL H . . 4.220 4.023 3.878 4.116 . 0 0 "[ . 1 . 2]" 1
866 1 42 VAL H 1 42 VAL HB . . 3.410 2.522 2.407 2.595 . 0 0 "[ . 1 . 2]" 1
867 1 42 VAL H 1 42 VAL MG1 . . 4.360 3.791 3.745 3.821 . 0 0 "[ . 1 . 2]" 1
868 1 42 VAL H 1 42 VAL MG2 . . 3.680 2.425 2.273 2.587 . 0 0 "[ . 1 . 2]" 1
869 1 42 VAL HA 1 42 VAL MG1 . . 3.280 2.358 2.274 2.455 . 0 0 "[ . 1 . 2]" 1
870 1 42 VAL HA 1 42 VAL MG2 . . 3.160 2.377 2.260 2.487 . 0 0 "[ . 1 . 2]" 1
871 1 42 VAL HA 1 43 THR H . . 2.870 2.168 2.150 2.193 . 0 0 "[ . 1 . 2]" 1
872 1 42 VAL HA 1 43 THR MG . . 4.070 3.943 3.517 4.070 . 0 0 "[ . 1 . 2]" 1
873 1 42 VAL HA 1 44 ASP H . . 4.040 3.713 3.515 4.004 . 0 0 "[ . 1 . 2]" 1
874 1 42 VAL HB 1 43 THR H . . 4.550 4.107 3.981 4.233 . 0 0 "[ . 1 . 2]" 1
875 1 42 VAL MG1 1 43 THR H . . 3.560 2.336 2.068 2.656 . 0 0 "[ . 1 . 2]" 1
876 1 42 VAL MG1 1 44 ASP H . . 3.160 1.952 1.821 2.219 . 0 0 "[ . 1 . 2]" 1
877 1 42 VAL MG1 1 44 ASP HB2 . . 4.170 3.943 3.594 4.087 . 0 0 "[ . 1 . 2]" 1
878 1 42 VAL MG1 1 44 ASP QB . . 3.570 3.205 3.012 3.356 . 0 0 "[ . 1 . 2]" 1
879 1 42 VAL MG1 1 44 ASP HB3 . . 4.170 3.396 3.189 3.584 . 0 0 "[ . 1 . 2]" 1
880 1 42 VAL MG1 1 47 PHE H . . 3.950 3.635 3.382 3.788 . 0 0 "[ . 1 . 2]" 1
881 1 42 VAL MG1 1 47 PHE HA . . 4.240 3.948 3.712 4.100 . 0 0 "[ . 1 . 2]" 1
882 1 42 VAL MG1 1 47 PHE HB2 . . 3.530 1.970 1.779 2.091 . 0 0 "[ . 1 . 2]" 1
883 1 42 VAL MG1 1 47 PHE HB3 . . 3.530 2.180 1.959 2.451 . 0 0 "[ . 1 . 2]" 1
884 1 42 VAL MG1 1 47 PHE QD . . 3.610 2.598 2.455 2.732 . 0 0 "[ . 1 . 2]" 1
885 1 42 VAL MG1 1 49 VAL QG . . 5.280 4.311 4.128 4.690 . 0 0 "[ . 1 . 2]" 1
886 1 42 VAL MG2 1 43 THR H . . 4.030 3.984 3.860 4.038 0.008 4 0 "[ . 1 . 2]" 1
887 1 42 VAL MG2 1 44 ASP H . . 4.770 4.468 4.213 4.704 . 0 0 "[ . 1 . 2]" 1
888 1 42 VAL MG2 1 47 PHE QD . . 4.290 2.622 2.290 2.838 . 0 0 "[ . 1 . 2]" 1
889 1 42 VAL MG2 1 47 PHE QE . . 3.960 2.632 2.376 2.835 . 0 0 "[ . 1 . 2]" 1
890 1 43 THR H 1 43 THR MG . . 3.460 3.080 2.729 3.235 . 0 0 "[ . 1 . 2]" 1
891 1 43 THR H 1 44 ASP H . . 3.100 2.226 1.847 2.732 . 0 0 "[ . 1 . 2]" 1
892 1 43 THR H 1 44 ASP HB2 . . 4.790 3.944 3.741 4.205 . 0 0 "[ . 1 . 2]" 1
893 1 43 THR H 1 44 ASP QB . . 4.160 3.683 3.560 3.864 . 0 0 "[ . 1 . 2]" 1
894 1 43 THR H 1 44 ASP HB3 . . 4.790 4.429 4.251 4.646 . 0 0 "[ . 1 . 2]" 1
895 1 43 THR MG 1 44 ASP H . . 4.610 4.309 4.087 4.403 . 0 0 "[ . 1 . 2]" 1
896 1 44 ASP H 1 44 ASP HB2 . . 3.560 2.888 2.406 3.177 . 0 0 "[ . 1 . 2]" 1
897 1 44 ASP H 1 44 ASP HB3 . . 3.560 2.949 2.642 3.255 . 0 0 "[ . 1 . 2]" 1
898 1 44 ASP QB 1 46 ALA H . . 4.510 3.342 3.099 3.998 . 0 0 "[ . 1 . 2]" 1
899 1 44 ASP QB 1 47 PHE H . . 4.370 3.347 3.147 3.659 . 0 0 "[ . 1 . 2]" 1
900 1 45 PRO HA 1 47 PHE H . . 4.220 3.427 3.337 3.614 . 0 0 "[ . 1 . 2]" 1
901 1 45 PRO HB2 1 46 ALA H . . 4.300 3.454 3.080 3.676 . 0 0 "[ . 1 . 2]" 1
902 1 45 PRO QD 1 46 ALA H . . 3.860 2.634 2.603 2.697 . 0 0 "[ . 1 . 2]" 1
903 1 45 PRO HG2 1 46 ALA H . . 3.790 2.536 2.083 2.847 . 0 0 "[ . 1 . 2]" 1
904 1 45 PRO HG3 1 46 ALA H . . 4.480 4.006 3.669 4.238 . 0 0 "[ . 1 . 2]" 1
905 1 46 ALA H 1 46 ALA MB . . 2.760 2.158 2.039 2.261 . 0 0 "[ . 1 . 2]" 1
906 1 46 ALA H 1 47 PHE H . . 3.120 2.663 2.537 2.769 . 0 0 "[ . 1 . 2]" 1
907 1 46 ALA H 1 47 PHE QB . . 4.920 4.347 4.155 4.532 . 0 0 "[ . 1 . 2]" 1
908 1 46 ALA MB 1 47 PHE H . . 3.700 3.287 2.995 3.459 . 0 0 "[ . 1 . 2]" 1
909 1 46 ALA MB 1 47 PHE HA . . 4.000 3.977 3.887 4.018 0.018 19 0 "[ . 1 . 2]" 1
910 1 47 PHE H 1 47 PHE HB2 . . 3.190 2.615 2.515 2.723 . 0 0 "[ . 1 . 2]" 1
911 1 47 PHE H 1 47 PHE HB3 . . 3.190 2.465 2.401 2.569 . 0 0 "[ . 1 . 2]" 1
912 1 47 PHE H 1 47 PHE QD . . 4.420 4.183 4.176 4.192 . 0 0 "[ . 1 . 2]" 1
913 1 47 PHE HA 1 47 PHE QD . . 3.670 2.498 2.233 2.663 . 0 0 "[ . 1 . 2]" 1
914 1 47 PHE HA 1 48 LEU H . . 2.810 2.148 2.141 2.157 . 0 0 "[ . 1 . 2]" 1
915 1 47 PHE HA 1 48 LEU HB2 . . 4.810 4.551 4.441 4.641 . 0 0 "[ . 1 . 2]" 1
916 1 47 PHE HA 1 48 LEU MD2 . . 5.120 4.547 4.335 4.954 . 0 0 "[ . 1 . 2]" 1
917 1 47 PHE QB 1 48 LEU H . . 3.900 3.771 3.730 3.814 . 0 0 "[ . 1 . 2]" 1
918 1 47 PHE HB2 1 48 LEU H . . 4.560 4.208 4.168 4.245 . 0 0 "[ . 1 . 2]" 1
919 1 47 PHE HB3 1 48 LEU H . . 4.560 4.260 4.177 4.319 . 0 0 "[ . 1 . 2]" 1
920 1 47 PHE QD 1 48 LEU H . . 4.260 3.189 2.784 3.463 . 0 0 "[ . 1 . 2]" 1
921 1 47 PHE QD 1 48 LEU HA . . 5.450 4.773 4.618 4.864 . 0 0 "[ . 1 . 2]" 1
922 1 47 PHE QD 1 49 VAL QG . . 3.220 2.431 2.249 2.639 . 0 0 "[ . 1 . 2]" 1
923 1 47 PHE QE 1 49 VAL HA . . 4.850 3.918 3.532 4.211 . 0 0 "[ . 1 . 2]" 1
924 1 47 PHE QE 1 49 VAL QG . . 4.470 1.998 1.818 2.207 . 0 0 "[ . 1 . 2]" 1
925 1 47 PHE QE 1 53 MET ME . . 4.720 4.232 3.591 4.729 0.009 20 0 "[ . 1 . 2]" 1
926 1 47 PHE HZ 1 49 VAL HA . . 4.450 4.422 4.272 4.455 0.005 6 0 "[ . 1 . 2]" 1
927 1 47 PHE HZ 1 49 VAL QG . . 4.070 3.450 3.113 3.834 . 0 0 "[ . 1 . 2]" 1
928 1 47 PHE HZ 1 53 MET ME . . 4.530 3.597 2.643 4.532 0.002 15 0 "[ . 1 . 2]" 1
929 1 48 LEU H 1 48 LEU HB2 . . 3.190 2.433 2.326 2.513 . 0 0 "[ . 1 . 2]" 1
930 1 48 LEU H 1 48 LEU HB3 . . 3.650 3.618 3.579 3.650 0.000 17 0 "[ . 1 . 2]" 1
931 1 48 LEU H 1 48 LEU MD1 . . 4.030 3.799 3.647 4.033 0.003 10 0 "[ . 1 . 2]" 1
932 1 48 LEU H 1 48 LEU MD2 . . 3.950 3.526 3.392 3.830 . 0 0 "[ . 1 . 2]" 1
933 1 48 LEU H 1 48 LEU HG . . 3.260 2.590 2.421 2.822 . 0 0 "[ . 1 . 2]" 1
934 1 48 LEU H 1 49 VAL H . . 4.740 4.554 4.478 4.572 . 0 0 "[ . 1 . 2]" 1
935 1 48 LEU HA 1 48 LEU MD1 . . 3.990 3.846 3.720 3.904 . 0 0 "[ . 1 . 2]" 1
936 1 48 LEU HA 1 48 LEU MD2 . . 2.950 1.990 1.909 2.242 . 0 0 "[ . 1 . 2]" 1
937 1 48 LEU HA 1 48 LEU HG . . 3.990 3.146 2.957 3.240 . 0 0 "[ . 1 . 2]" 1
938 1 48 LEU HA 1 49 VAL H . . 2.930 2.193 2.154 2.200 . 0 0 "[ . 1 . 2]" 1
939 1 48 LEU HA 1 49 VAL HB . . 5.500 4.567 4.404 4.786 . 0 0 "[ . 1 . 2]" 1
940 1 48 LEU HA 1 49 VAL QG . . 4.170 3.546 3.341 3.810 . 0 0 "[ . 1 . 2]" 1
941 1 48 LEU HB2 1 48 LEU MD1 . . 3.200 2.354 2.232 2.468 . 0 0 "[ . 1 . 2]" 1
942 1 48 LEU HB2 1 49 VAL H . . 4.360 4.069 3.989 4.176 . 0 0 "[ . 1 . 2]" 1
943 1 48 LEU HB3 1 48 LEU MD1 . . 3.250 2.333 2.217 2.475 . 0 0 "[ . 1 . 2]" 1
944 1 48 LEU HB3 1 48 LEU MD2 . . 3.510 2.363 2.228 2.470 . 0 0 "[ . 1 . 2]" 1
945 1 48 LEU HB3 1 49 VAL H . . 3.880 3.037 3.003 3.252 . 0 0 "[ . 1 . 2]" 1
946 1 48 LEU MD2 1 49 VAL H . . 3.510 3.329 3.088 3.515 0.005 11 0 "[ . 1 . 2]" 1
947 1 48 LEU MD2 1 49 VAL QG . . 5.440 4.643 4.504 4.845 . 0 0 "[ . 1 . 2]" 1
948 1 48 LEU HG 1 49 VAL H . . 5.190 5.087 4.948 5.167 . 0 0 "[ . 1 . 2]" 1
949 1 49 VAL H 1 49 VAL HB . . 3.810 2.711 2.604 2.897 . 0 0 "[ . 1 . 2]" 1
950 1 49 VAL H 1 49 VAL MG1 . . 4.090 3.868 3.787 3.953 . 0 0 "[ . 1 . 2]" 1
951 1 49 VAL H 1 49 VAL QG . . 3.040 2.799 2.507 2.993 . 0 0 "[ . 1 . 2]" 1
952 1 49 VAL H 1 49 VAL MG2 . . 4.090 2.876 2.539 3.135 . 0 0 "[ . 1 . 2]" 1
953 1 49 VAL HA 1 49 VAL MG1 . . 3.270 2.417 2.168 2.473 . 0 0 "[ . 1 . 2]" 1
954 1 49 VAL HA 1 49 VAL MG2 . . 3.270 2.346 2.153 2.484 . 0 0 "[ . 1 . 2]" 1
955 1 49 VAL HA 1 50 THR H . . 2.900 2.195 2.145 2.222 . 0 0 "[ . 1 . 2]" 1
956 1 49 VAL HA 1 50 THR MG . . 3.870 3.697 3.270 3.878 0.008 2 0 "[ . 1 . 2]" 1
957 1 49 VAL QG 1 50 THR H . . 3.430 2.206 2.013 2.500 . 0 0 "[ . 1 . 2]" 1
958 1 49 VAL QG 1 53 MET H . . 3.980 3.403 3.111 3.833 . 0 0 "[ . 1 . 2]" 1
959 1 49 VAL QG 1 53 MET QG . . 4.170 2.611 1.849 3.468 . 0 0 "[ . 1 . 2]" 1
960 1 49 VAL QG 1 54 GLU H . . 3.690 2.758 2.282 3.087 . 0 0 "[ . 1 . 2]" 1
961 1 49 VAL QG 1 54 GLU HA . . 3.240 2.288 1.955 2.572 . 0 0 "[ . 1 . 2]" 1
962 1 49 VAL QG 1 54 GLU QB . . 3.790 3.518 3.269 3.761 . 0 0 "[ . 1 . 2]" 1
963 1 49 VAL QG 1 54 GLU QG . . 3.070 2.191 1.890 2.940 . 0 0 "[ . 1 . 2]" 1
964 1 49 VAL QG 1 55 ASP H . . 5.250 4.535 4.243 4.731 . 0 0 "[ . 1 . 2]" 1
965 1 49 VAL QG 1 56 PHE H . . 5.440 4.509 4.270 4.692 . 0 0 "[ . 1 . 2]" 1
966 1 49 VAL QG 1 57 VAL QG . . 5.380 2.563 2.409 2.761 . 0 0 "[ . 1 . 2]" 1
967 1 49 VAL MG1 1 50 THR H . . 4.340 2.218 2.019 2.525 . 0 0 "[ . 1 . 2]" 1
968 1 49 VAL MG2 1 50 THR H . . 4.340 3.936 3.745 4.129 . 0 0 "[ . 1 . 2]" 1
969 1 50 THR H 1 50 THR HB . . 4.110 3.329 2.774 3.735 . 0 0 "[ . 1 . 2]" 1
970 1 50 THR H 1 50 THR MG . . 3.040 2.267 1.882 2.698 . 0 0 "[ . 1 . 2]" 1
971 1 50 THR H 1 53 MET H . . 4.720 3.340 2.967 3.865 . 0 0 "[ . 1 . 2]" 1
972 1 50 THR H 1 53 MET HB2 . . 3.960 2.502 1.896 3.117 . 0 0 "[ . 1 . 2]" 1
973 1 50 THR H 1 53 MET QB . . 3.360 2.004 1.850 2.261 . 0 0 "[ . 1 . 2]" 1
974 1 50 THR H 1 53 MET HB3 . . 3.960 2.581 1.892 3.806 . 0 0 "[ . 1 . 2]" 1
975 1 50 THR H 1 53 MET HG2 . . 4.550 3.629 3.185 4.555 0.005 7 0 "[ . 1 . 2]" 1
976 1 50 THR H 1 53 MET HG3 . . 4.550 4.072 2.816 4.570 0.020 2 0 "[ . 1 . 2]" 1
977 1 50 THR HA 1 50 THR MG . . 3.200 2.734 2.254 3.207 0.007 7 0 "[ . 1 . 2]" 1
978 1 50 THR HA 1 51 ARG H . . 3.400 2.363 2.244 2.559 . 0 0 "[ . 1 . 2]" 1
979 1 50 THR HB 1 53 MET H . . 4.700 4.106 3.502 4.632 . 0 0 "[ . 1 . 2]" 1
980 1 50 THR MG 1 51 ARG H . . 4.450 3.607 3.086 3.936 . 0 0 "[ . 1 . 2]" 1
981 1 50 THR MG 1 53 MET H . . 4.490 3.212 1.691 4.475 . 0 0 "[ . 1 . 2]" 1
982 1 50 THR MG 1 53 MET QG . . 4.500 3.812 2.068 4.472 . 0 0 "[ . 1 . 2]" 1
983 1 51 ARG H 1 51 ARG QB . . 3.420 2.269 2.137 2.516 . 0 0 "[ . 1 . 2]" 1
984 1 51 ARG HA 1 51 ARG HD2 . . 3.850 2.927 1.987 3.796 . 0 0 "[ . 1 . 2]" 1
985 1 51 ARG HA 1 51 ARG QD . . 3.350 2.384 1.976 3.037 . 0 0 "[ . 1 . 2]" 1
986 1 51 ARG HA 1 51 ARG HD3 . . 3.850 2.945 2.161 3.850 . 3 0 "[ . 1 . 2]" 1
987 1 51 ARG HA 1 51 ARG QG . . 3.620 2.607 2.217 2.839 . 0 0 "[ . 1 . 2]" 1
988 1 51 ARG HA 1 53 MET H . . 4.530 4.253 3.764 4.537 0.007 18 0 "[ . 1 . 2]" 1
989 1 51 ARG HA 1 54 GLU H . . 4.200 3.392 3.101 3.698 . 0 0 "[ . 1 . 2]" 1
990 1 51 ARG HA 1 54 GLU QB . . 4.390 2.736 2.295 3.093 . 0 0 "[ . 1 . 2]" 1
991 1 51 ARG HA 1 54 GLU QG . . 3.410 2.300 1.871 2.937 . 0 0 "[ . 1 . 2]" 1
992 1 51 ARG QB 1 51 ARG QD . . 3.270 2.284 2.066 2.583 . 0 0 "[ . 1 . 2]" 1
993 1 52 SER H 1 53 MET H . . 3.970 2.532 2.285 2.888 . 0 0 "[ . 1 . 2]" 1
994 1 52 SER HA 1 54 GLU H . . 4.440 4.176 3.882 4.443 0.003 18 0 "[ . 1 . 2]" 1
995 1 52 SER QB 1 53 MET H . . 3.980 2.855 2.480 3.590 . 0 0 "[ . 1 . 2]" 1
996 1 53 MET H 1 53 MET QB . . 3.200 2.270 2.161 2.376 . 0 0 "[ . 1 . 2]" 1
997 1 53 MET H 1 53 MET HG2 . . 4.840 4.083 2.686 4.719 . 0 0 "[ . 1 . 2]" 1
998 1 53 MET H 1 53 MET QG . . 4.120 3.651 2.642 4.098 . 0 0 "[ . 1 . 2]" 1
999 1 53 MET H 1 53 MET HG3 . . 4.840 4.271 3.347 4.567 . 0 0 "[ . 1 . 2]" 1
1000 1 53 MET H 1 54 GLU QG . . 4.500 3.911 3.680 4.093 . 0 0 "[ . 1 . 2]" 1
1001 1 53 MET ME 1 56 PHE HB2 . . 4.220 3.117 1.906 4.119 . 0 0 "[ . 1 . 2]" 1
1002 1 53 MET ME 1 56 PHE HB3 . . 4.230 3.322 2.053 4.161 . 0 0 "[ . 1 . 2]" 1
1003 1 53 MET ME 1 56 PHE QD . . 4.660 3.633 2.093 4.652 . 0 0 "[ . 1 . 2]" 1
1004 1 53 MET QG 1 54 GLU H . . 4.820 4.314 3.932 4.749 . 0 0 "[ . 1 . 2]" 1
1005 1 53 MET HG2 1 54 GLU H . . 5.500 4.979 4.204 5.477 . 0 0 "[ . 1 . 2]" 1
1006 1 53 MET HG3 1 54 GLU H . . 5.500 4.818 4.308 5.357 . 0 0 "[ . 1 . 2]" 1
1007 1 54 GLU H 1 54 GLU QB . . 3.060 2.390 2.249 2.629 . 0 0 "[ . 1 . 2]" 1
1008 1 54 GLU H 1 54 GLU HG2 . . 3.760 3.102 1.897 3.709 . 0 0 "[ . 1 . 2]" 1
1009 1 54 GLU H 1 54 GLU QG . . 3.160 2.357 1.889 2.715 . 0 0 "[ . 1 . 2]" 1
1010 1 54 GLU H 1 54 GLU HG3 . . 3.760 2.711 2.185 3.517 . 0 0 "[ . 1 . 2]" 1
1011 1 54 GLU H 1 56 PHE H . . 4.590 3.997 3.741 4.255 . 0 0 "[ . 1 . 2]" 1
1012 1 54 GLU HA 1 54 GLU HG2 . . 3.880 2.476 2.272 3.182 . 0 0 "[ . 1 . 2]" 1
1013 1 54 GLU HA 1 54 GLU QG . . 3.350 2.400 2.220 3.027 . 0 0 "[ . 1 . 2]" 1
1014 1 54 GLU HA 1 54 GLU HG3 . . 3.880 3.283 2.883 3.794 . 0 0 "[ . 1 . 2]" 1
1015 1 54 GLU HA 1 56 PHE H . . 4.280 3.925 3.496 4.269 . 0 0 "[ . 1 . 2]" 1
1016 1 54 GLU HA 1 57 VAL H . . 4.590 4.432 4.178 4.602 0.012 16 0 "[ . 1 . 2]" 1
1017 1 54 GLU HA 1 57 VAL QG . . 3.180 2.224 1.984 2.566 . 0 0 "[ . 1 . 2]" 1
1018 1 54 GLU QB 1 55 ASP H . . 3.360 2.685 2.326 2.986 . 0 0 "[ . 1 . 2]" 1
1019 1 55 ASP H 1 55 ASP HB2 . . 3.700 2.564 2.198 3.509 . 0 0 "[ . 1 . 2]" 1
1020 1 55 ASP H 1 55 ASP QB . . 3.170 2.361 2.176 2.812 . 0 0 "[ . 1 . 2]" 1
1021 1 55 ASP H 1 55 ASP HB3 . . 3.700 3.125 2.307 3.645 . 0 0 "[ . 1 . 2]" 1
1022 1 55 ASP H 1 56 PHE H . . 3.430 2.489 2.219 2.722 . 0 0 "[ . 1 . 2]" 1
1023 1 55 ASP H 1 56 PHE QD . . 4.890 4.093 3.343 4.581 . 0 0 "[ . 1 . 2]" 1
1024 1 55 ASP H 1 57 VAL H . . 4.560 4.454 4.278 4.564 0.004 20 0 "[ . 1 . 2]" 1
1025 1 55 ASP H 1 57 VAL QG . . 5.410 4.138 3.872 4.436 . 0 0 "[ . 1 . 2]" 1
1026 1 55 ASP HA 1 57 VAL H . . 4.370 3.468 3.297 3.600 . 0 0 "[ . 1 . 2]" 1
1027 1 55 ASP QB 1 56 PHE H . . 3.670 3.081 2.765 3.461 . 0 0 "[ . 1 . 2]" 1
1028 1 55 ASP QB 1 56 PHE QD . . 4.340 3.494 2.539 4.341 0.001 18 0 "[ . 1 . 2]" 1
1029 1 55 ASP QB 1 57 VAL H . . 5.340 4.559 4.385 4.899 . 0 0 "[ . 1 . 2]" 1
1030 1 55 ASP HB2 1 56 PHE H . . 4.520 3.577 2.852 4.467 . 0 0 "[ . 1 . 2]" 1
1031 1 55 ASP HB3 1 56 PHE H . . 4.520 3.684 2.998 4.332 . 0 0 "[ . 1 . 2]" 1
1032 1 56 PHE H 1 56 PHE HB2 . . 3.470 2.331 2.216 2.468 . 0 0 "[ . 1 . 2]" 1
1033 1 56 PHE H 1 56 PHE HB3 . . 3.870 3.575 3.504 3.652 . 0 0 "[ . 1 . 2]" 1
1034 1 56 PHE H 1 56 PHE QD . . 3.260 2.933 2.152 3.253 . 0 0 "[ . 1 . 2]" 1
1035 1 56 PHE H 1 57 VAL H . . 3.160 2.841 2.525 3.031 . 0 0 "[ . 1 . 2]" 1
1036 1 56 PHE H 1 57 VAL QG . . 3.770 3.271 3.035 3.572 . 0 0 "[ . 1 . 2]" 1
1037 1 56 PHE HA 1 56 PHE QD . . 4.070 2.682 2.297 3.134 . 0 0 "[ . 1 . 2]" 1
1038 1 56 PHE HB2 1 57 VAL H . . 4.530 4.119 4.014 4.210 . 0 0 "[ . 1 . 2]" 1
1039 1 56 PHE HB2 1 57 VAL QG . . 5.090 4.056 3.906 4.201 . 0 0 "[ . 1 . 2]" 1
1040 1 57 VAL H 1 57 VAL HB . . 3.090 2.503 2.378 2.648 . 0 0 "[ . 1 . 2]" 1
1041 1 57 VAL H 1 57 VAL MG1 . . 3.930 3.787 3.719 3.843 . 0 0 "[ . 1 . 2]" 1
1042 1 57 VAL H 1 57 VAL QG . . 3.040 2.526 2.343 2.692 . 0 0 "[ . 1 . 2]" 1
1043 1 57 VAL H 1 57 VAL MG2 . . 3.930 2.567 2.366 2.759 . 0 0 "[ . 1 . 2]" 1
1044 1 57 VAL H 1 58 THR H . . 4.700 4.398 4.359 4.438 . 0 0 "[ . 1 . 2]" 1
1045 1 57 VAL H 1 58 THR MG . . 5.030 4.947 4.793 5.025 . 0 0 "[ . 1 . 2]" 1
1046 1 57 VAL HA 1 57 VAL MG1 . . 3.660 2.408 2.310 2.486 . 0 0 "[ . 1 . 2]" 1
1047 1 57 VAL HA 1 57 VAL MG2 . . 3.660 2.353 2.228 2.444 . 0 0 "[ . 1 . 2]" 1
1048 1 57 VAL HA 1 58 THR H . . 2.880 2.140 2.140 2.142 . 0 0 "[ . 1 . 2]" 1
1049 1 57 VAL HB 1 58 THR H . . 4.520 4.281 4.184 4.362 . 0 0 "[ . 1 . 2]" 1
1050 1 57 VAL QG 1 58 THR H . . 3.440 2.652 2.461 2.754 . 0 0 "[ . 1 . 2]" 1
1051 1 57 VAL QG 1 58 THR HA . . 4.150 3.378 3.252 3.598 . 0 0 "[ . 1 . 2]" 1
1052 1 57 VAL MG1 1 58 THR H . . 4.360 2.692 2.484 2.811 . 0 0 "[ . 1 . 2]" 1
1053 1 57 VAL MG2 1 58 THR H . . 4.360 4.019 3.866 4.161 . 0 0 "[ . 1 . 2]" 1
1054 1 58 THR H 1 58 THR MG . . 3.370 2.297 2.113 2.399 . 0 0 "[ . 1 . 2]" 1
1055 1 58 THR HA 1 58 THR MG . . 3.290 3.203 3.197 3.206 . 0 0 "[ . 1 . 2]" 1
1056 1 58 THR HA 1 59 TRP H . . 3.050 2.345 2.342 2.347 . 0 0 "[ . 1 . 2]" 1
1057 1 58 THR HB 1 59 TRP H . . 3.820 3.787 3.737 3.822 0.002 18 0 "[ . 1 . 2]" 1
1058 1 58 THR MG 1 59 TRP H . . 4.000 3.605 3.542 3.691 . 0 0 "[ . 1 . 2]" 1
1059 1 59 TRP H 1 59 TRP HB2 . . 3.660 2.358 2.255 2.504 . 0 0 "[ . 1 . 2]" 1
1060 1 59 TRP H 1 59 TRP QB . . 3.070 2.328 2.231 2.461 . 0 0 "[ . 1 . 2]" 1
1061 1 59 TRP H 1 59 TRP HB3 . . 3.660 3.591 3.540 3.629 . 0 0 "[ . 1 . 2]" 1
1062 1 59 TRP H 1 59 TRP HD1 . . 3.940 2.773 2.419 3.196 . 0 0 "[ . 1 . 2]" 1
1063 1 59 TRP HA 1 59 TRP HE3 . . 3.770 3.104 2.855 3.302 . 0 0 "[ . 1 . 2]" 1
1064 1 59 TRP HA 1 59 TRP HZ3 . . 5.380 5.175 4.919 5.367 . 0 0 "[ . 1 . 2]" 1
1065 1 59 TRP HA 1 60 VAL H . . 3.130 2.198 2.151 2.296 . 0 0 "[ . 1 . 2]" 1
1066 1 59 TRP HA 1 60 VAL MG2 . . 4.580 3.741 3.496 4.078 . 0 0 "[ . 1 . 2]" 1
1067 1 59 TRP QB 1 59 TRP HD1 . . 3.370 2.598 2.541 2.644 . 0 0 "[ . 1 . 2]" 1
1068 1 59 TRP QB 1 59 TRP HE3 . . 3.690 2.582 2.511 2.700 . 0 0 "[ . 1 . 2]" 1
1069 1 59 TRP QB 1 60 VAL H . . 3.630 2.996 2.674 3.208 . 0 0 "[ . 1 . 2]" 1
1070 1 59 TRP QB 1 61 ASP H . . 4.240 3.010 2.537 3.599 . 0 0 "[ . 1 . 2]" 1
1071 1 59 TRP QB 1 62 SER HA . . 4.100 3.386 2.121 3.952 . 0 0 "[ . 1 . 2]" 1
1072 1 59 TRP HB2 1 60 VAL H . . 4.280 4.151 3.942 4.281 0.001 13 0 "[ . 1 . 2]" 1
1073 1 59 TRP HB2 1 62 SER HA . . 4.670 3.778 2.146 4.610 . 0 0 "[ . 1 . 2]" 1
1074 1 59 TRP HB3 1 60 VAL H . . 4.280 3.074 2.720 3.314 . 0 0 "[ . 1 . 2]" 1
1075 1 59 TRP HB3 1 62 SER HA . . 4.670 3.983 2.651 4.669 . 0 0 "[ . 1 . 2]" 1
1076 1 59 TRP HD1 1 62 SER QB . . 4.370 3.974 3.499 4.352 . 0 0 "[ . 1 . 2]" 1
1077 1 59 TRP HE3 1 60 VAL H . . 4.230 3.399 2.881 3.865 . 0 0 "[ . 1 . 2]" 1
1078 1 60 VAL H 1 60 VAL HB . . 3.270 2.573 2.461 2.704 . 0 0 "[ . 1 . 2]" 1
1079 1 60 VAL H 1 60 VAL MG1 . . 3.890 3.768 3.753 3.784 . 0 0 "[ . 1 . 2]" 1
1080 1 60 VAL H 1 60 VAL MG2 . . 3.260 2.135 1.933 2.424 . 0 0 "[ . 1 . 2]" 1
1081 1 60 VAL H 1 61 ASP H . . 3.940 2.922 2.650 3.247 . 0 0 "[ . 1 . 2]" 1
1082 1 60 VAL HA 1 60 VAL MG1 . . 3.310 2.402 2.279 2.497 . 0 0 "[ . 1 . 2]" 1
1083 1 60 VAL HA 1 60 VAL MG2 . . 3.040 2.327 2.129 2.450 . 0 0 "[ . 1 . 2]" 1
1084 1 60 VAL HB 1 61 ASP H . . 3.940 2.449 2.029 2.992 . 0 0 "[ . 1 . 2]" 1
1085 1 60 VAL MG1 1 61 ASP H . . 4.060 3.228 2.790 3.686 . 0 0 "[ . 1 . 2]" 1
1086 1 60 VAL MG1 1 61 ASP HB2 . . 4.680 3.718 2.603 4.663 . 0 0 "[ . 1 . 2]" 1
1087 1 60 VAL MG1 1 61 ASP QB . . 3.880 3.098 2.537 3.816 . 0 0 "[ . 1 . 2]" 1
1088 1 60 VAL MG1 1 61 ASP HB3 . . 4.680 3.723 2.900 4.520 . 0 0 "[ . 1 . 2]" 1
1089 1 60 VAL MG2 1 61 ASP H . . 4.710 3.808 3.638 3.996 . 0 0 "[ . 1 . 2]" 1
1090 1 61 ASP H 1 61 ASP HB2 . . 3.950 3.290 2.453 3.943 . 0 0 "[ . 1 . 2]" 1
1091 1 61 ASP H 1 61 ASP HB3 . . 3.950 3.022 2.419 3.950 . 0 0 "[ . 1 . 2]" 1
1092 1 62 SER HA 1 64 LYS H . . 5.470 4.454 3.846 5.097 . 0 0 "[ . 1 . 2]" 1
1093 1 62 SER HA 1 65 ILE H . . 5.500 3.792 3.131 4.404 . 0 0 "[ . 1 . 2]" 1
1094 1 62 SER HA 1 65 ILE HB . . 4.590 3.742 2.140 4.590 0.000 5 0 "[ . 1 . 2]" 1
1095 1 62 SER HA 1 65 ILE MD . . 4.050 3.094 1.791 4.043 . 0 0 "[ . 1 . 2]" 1
1096 1 62 SER HA 1 65 ILE HG12 . . 4.250 2.689 2.000 4.033 . 0 0 "[ . 1 . 2]" 1
1097 1 62 SER HA 1 65 ILE QG . . 3.740 2.346 1.877 3.342 . 0 0 "[ . 1 . 2]" 1
1098 1 62 SER HA 1 65 ILE HG13 . . 4.250 2.790 2.212 4.260 0.010 15 0 "[ . 1 . 2]" 1
1099 1 62 SER HA 1 65 ILE MG . . 4.590 3.690 1.959 4.552 . 0 0 "[ . 1 . 2]" 1
1100 1 62 SER QB 1 65 ILE QG . . 4.600 3.215 2.357 4.590 . 0 0 "[ . 1 . 2]" 1
1101 1 63 SER H 1 63 SER QB . . 3.630 2.457 2.259 2.859 . 0 0 "[ . 1 . 2]" 1
1102 1 63 SER H 1 64 LYS H . . 3.970 2.920 2.045 3.969 . 0 0 "[ . 1 . 2]" 1
1103 1 63 SER QB 1 64 LYS H . . 4.770 2.842 2.066 4.009 . 0 0 "[ . 1 . 2]" 1
1104 1 64 LYS H 1 64 LYS HB2 . . 4.070 2.849 2.200 3.738 . 0 0 "[ . 1 . 2]" 1
1105 1 64 LYS H 1 64 LYS QB . . 3.450 2.635 2.137 3.336 . 0 0 "[ . 1 . 2]" 1
1106 1 64 LYS H 1 64 LYS HB3 . . 4.070 3.203 2.581 4.063 . 0 0 "[ . 1 . 2]" 1
1107 1 64 LYS H 1 64 LYS QD . . 5.340 4.500 3.614 5.028 . 0 0 "[ . 1 . 2]" 1
1108 1 64 LYS H 1 64 LYS HG2 . . 4.840 4.068 1.896 4.809 . 0 0 "[ . 1 . 2]" 1
1109 1 64 LYS H 1 64 LYS QG . . 4.110 3.517 1.884 4.124 0.014 20 0 "[ . 1 . 2]" 1
1110 1 64 LYS H 1 64 LYS HG3 . . 4.840 3.940 2.431 4.702 . 0 0 "[ . 1 . 2]" 1
1111 1 64 LYS HA 1 64 LYS HD2 . . 4.730 4.065 2.135 4.730 . 0 0 "[ . 1 . 2]" 1
1112 1 64 LYS HA 1 64 LYS QD . . 4.100 3.649 2.049 4.128 0.028 18 0 "[ . 1 . 2]" 1
1113 1 64 LYS HA 1 64 LYS HD3 . . 4.730 4.270 2.068 4.706 . 0 0 "[ . 1 . 2]" 1
1114 1 64 LYS HA 1 64 LYS HG2 . . 4.170 2.917 2.261 3.783 . 0 0 "[ . 1 . 2]" 1
1115 1 64 LYS HA 1 64 LYS QG . . 3.420 2.438 2.208 3.322 . 0 0 "[ . 1 . 2]" 1
1116 1 64 LYS HA 1 64 LYS HG3 . . 4.170 2.859 2.253 3.987 . 0 0 "[ . 1 . 2]" 1
1117 1 64 LYS QB 1 64 LYS QD . . 3.290 2.191 2.059 2.526 . 0 0 "[ . 1 . 2]" 1
1118 1 64 LYS QB 1 65 ILE H . . 4.240 3.274 2.214 4.029 . 0 0 "[ . 1 . 2]" 1
1119 1 64 LYS HB2 1 65 ILE H . . 5.090 4.022 2.773 4.652 . 0 0 "[ . 1 . 2]" 1
1120 1 64 LYS HB3 1 65 ILE H . . 5.090 3.608 2.239 4.652 . 0 0 "[ . 1 . 2]" 1
1121 1 64 LYS HG2 1 65 ILE H . . 5.500 4.692 3.969 5.141 . 0 0 "[ . 1 . 2]" 1
1122 1 64 LYS HG3 1 65 ILE H . . 5.500 4.804 3.716 5.337 . 0 0 "[ . 1 . 2]" 1
1123 1 65 ILE H 1 65 ILE HB . . 3.660 2.918 2.493 3.672 0.012 18 0 "[ . 1 . 2]" 1
1124 1 65 ILE H 1 65 ILE MD . . 4.770 3.262 1.814 3.862 . 0 0 "[ . 1 . 2]" 1
1125 1 65 ILE H 1 65 ILE HG12 . . 3.840 2.906 1.918 3.834 . 0 0 "[ . 1 . 2]" 1
1126 1 65 ILE H 1 65 ILE HG13 . . 3.840 2.788 1.926 3.777 . 0 0 "[ . 1 . 2]" 1
1127 1 65 ILE H 1 65 ILE MG . . 4.090 3.336 1.960 3.862 . 0 0 "[ . 1 . 2]" 1
1128 1 65 ILE H 1 66 SER H . . 4.580 4.048 2.293 4.618 0.038 3 0 "[ . 1 . 2]" 1
1129 1 65 ILE HA 1 65 ILE MD . . 3.850 2.992 1.977 3.854 0.004 17 0 "[ . 1 . 2]" 1
1130 1 65 ILE HA 1 65 ILE QG . . 3.590 2.892 2.213 3.442 . 0 0 "[ . 1 . 2]" 1
1131 1 65 ILE HA 1 65 ILE MG . . 3.190 2.361 2.247 2.486 . 0 0 "[ . 1 . 2]" 1
1132 1 65 ILE HB 1 65 ILE MD . . 3.470 2.636 2.100 3.230 . 0 0 "[ . 1 . 2]" 1
1133 1 65 ILE HB 1 66 SER H . . 4.370 3.556 2.309 4.375 0.005 16 0 "[ . 1 . 2]" 1
1134 1 65 ILE QG 1 65 ILE MG . . 3.290 2.185 1.951 2.431 . 0 0 "[ . 1 . 2]" 1
1135 1 65 ILE HG12 1 65 ILE MG . . 3.750 2.594 1.998 3.199 . 0 0 "[ . 1 . 2]" 1
1136 1 65 ILE HG13 1 65 ILE MG . . 3.750 2.630 2.172 3.200 . 0 0 "[ . 1 . 2]" 1
1137 1 65 ILE MG 1 66 SER H . . 4.350 3.198 2.269 3.936 . 0 0 "[ . 1 . 2]" 1
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