NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
378452 |
1h8b   |
4453 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1h8b
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 1189
_Distance_constraint_stats_list.Viol_count 1261
_Distance_constraint_stats_list.Viol_total 1503.701
_Distance_constraint_stats_list.Viol_max 0.375
_Distance_constraint_stats_list.Viol_rms 0.0114
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0397
_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 6 THR 0.026 0.020 28 0 "[ . 1 . 2 . 3]"
1 7 ASP 0.026 0.020 28 0 "[ . 1 . 2 . 3]"
1 8 THR 0.218 0.035 4 0 "[ . 1 . 2 . 3]"
1 9 ALA 0.920 0.059 9 0 "[ . 1 . 2 . 3]"
1 10 GLU 0.035 0.025 30 0 "[ . 1 . 2 . 3]"
1 11 GLN 0.916 0.059 9 0 "[ . 1 . 2 . 3]"
1 12 VAL 0.230 0.035 9 0 "[ . 1 . 2 . 3]"
1 13 ILE 1.902 0.085 29 0 "[ . 1 . 2 . 3]"
1 14 ALA 0.451 0.058 18 0 "[ . 1 . 2 . 3]"
1 15 SER 0.062 0.011 14 0 "[ . 1 . 2 . 3]"
1 16 PHE 2.780 0.085 29 0 "[ . 1 . 2 . 3]"
1 17 ARG 0.075 0.067 9 0 "[ . 1 . 2 . 3]"
1 18 ILE 0.647 0.058 18 0 "[ . 1 . 2 . 3]"
1 19 LEU 0.376 0.039 9 0 "[ . 1 . 2 . 3]"
1 20 ALA 0.816 0.063 20 0 "[ . 1 . 2 . 3]"
1 21 SER 0.050 0.044 3 0 "[ . 1 . 2 . 3]"
1 22 ASP 0.042 0.017 9 0 "[ . 1 . 2 . 3]"
1 23 LYS 2.529 0.075 3 0 "[ . 1 . 2 . 3]"
1 24 PRO 0.025 0.016 6 0 "[ . 1 . 2 . 3]"
1 25 TYR 2.595 0.075 3 0 "[ . 1 . 2 . 3]"
1 26 ILE 1.230 0.045 22 0 "[ . 1 . 2 . 3]"
1 27 LEU 1.315 0.049 15 0 "[ . 1 . 2 . 3]"
1 28 ALA 1.660 0.063 8 0 "[ . 1 . 2 . 3]"
1 29 GLU 2.302 0.091 21 0 "[ . 1 . 2 . 3]"
1 30 GLU 1.239 0.063 8 0 "[ . 1 . 2 . 3]"
1 31 LEU 1.297 0.088 21 0 "[ . 1 . 2 . 3]"
1 32 ARG 2.108 0.091 21 0 "[ . 1 . 2 . 3]"
1 33 ARG 0.701 0.059 25 0 "[ . 1 . 2 . 3]"
1 34 GLU 0.484 0.089 24 0 "[ . 1 . 2 . 3]"
1 35 LEU 4.110 0.144 12 0 "[ . 1 . 2 . 3]"
1 36 PRO 0.167 0.028 1 0 "[ . 1 . 2 . 3]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 38 ASP 0.011 0.011 8 0 "[ . 1 . 2 . 3]"
1 39 GLN 1.251 0.075 15 0 "[ . 1 . 2 . 3]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 41 GLN 0.505 0.044 24 0 "[ . 1 . 2 . 3]"
1 42 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 43 CYS 0.127 0.035 16 0 "[ . 1 . 2 . 3]"
1 44 ILE 0.977 0.045 16 0 "[ . 1 . 2 . 3]"
1 45 LYS 0.736 0.070 9 0 "[ . 1 . 2 . 3]"
1 46 ARG 0.337 0.079 24 0 "[ . 1 . 2 . 3]"
1 47 MET 6.396 0.164 29 0 "[ . 1 . 2 . 3]"
1 48 PRO 0.005 0.004 18 0 "[ . 1 . 2 . 3]"
1 49 ALA 0.339 0.074 29 0 "[ . 1 . 2 . 3]"
1 50 TYR 0.738 0.122 7 0 "[ . 1 . 2 . 3]"
1 51 SER 0.254 0.073 7 0 "[ . 1 . 2 . 3]"
1 55 SER 9.648 0.291 18 0 "[ . 1 . 2 . 3]"
1 56 VAL 3.883 0.210 12 0 "[ . 1 . 2 . 3]"
1 57 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 ALA 0.568 0.084 22 0 "[ . 1 . 2 . 3]"
1 60 LEU 0.570 0.063 29 0 "[ . 1 . 2 . 3]"
1 61 ASP 1.633 0.125 7 0 "[ . 1 . 2 . 3]"
1 62 TYR 4.391 0.164 29 0 "[ . 1 . 2 . 3]"
1 63 ALA 0.403 0.046 7 0 "[ . 1 . 2 . 3]"
1 64 ALA 5.813 0.165 18 0 "[ . 1 . 2 . 3]"
1 65 PHE 5.267 0.165 18 0 "[ . 1 . 2 . 3]"
1 66 SER 0.388 0.046 7 0 "[ . 1 . 2 . 3]"
1 67 SER 0.111 0.021 19 0 "[ . 1 . 2 . 3]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 69 LEU 1.444 0.156 16 0 "[ . 1 . 2 . 3]"
1 70 TYR 1.468 0.156 16 0 "[ . 1 . 2 . 3]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 72 GLU 0.071 0.026 23 0 "[ . 1 . 2 . 3]"
1 73 SER 0.035 0.035 6 0 "[ . 1 . 2 . 3]"
1 74 ASP 0.035 0.035 6 0 "[ . 1 . 2 . 3]"
2 10 LYS 0.112 0.026 16 0 "[ . 1 . 2 . 3]"
2 11 LYS 0.041 0.011 18 0 "[ . 1 . 2 . 3]"
2 12 ALA 0.062 0.012 10 0 "[ . 1 . 2 . 3]"
2 13 GLU 0.333 0.038 21 0 "[ . 1 . 2 . 3]"
2 14 ALA 0.042 0.013 16 0 "[ . 1 . 2 . 3]"
2 15 VAL 0.330 0.028 1 0 "[ . 1 . 2 . 3]"
2 16 ALA 0.221 0.038 21 0 "[ . 1 . 2 . 3]"
2 17 THR 0.019 0.009 29 0 "[ . 1 . 2 . 3]"
2 18 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 19 VAL 0.082 0.027 17 0 "[ . 1 . 2 . 3]"
2 20 ALA 0.001 0.001 20 0 "[ . 1 . 2 . 3]"
2 21 ALA 0.077 0.030 16 0 "[ . 1 . 2 . 3]"
2 22 VAL 0.039 0.014 16 0 "[ . 1 . 2 . 3]"
2 23 ASP 0.015 0.008 15 0 "[ . 1 . 2 . 3]"
2 24 GLN 0.144 0.056 1 0 "[ . 1 . 2 . 3]"
2 25 ALA 0.011 0.006 18 0 "[ . 1 . 2 . 3]"
2 26 ARG 0.111 0.076 3 0 "[ . 1 . 2 . 3]"
2 27 VAL 2.449 0.100 14 0 "[ . 1 . 2 . 3]"
2 28 ARG 3.685 0.375 30 0 "[ . 1 . 2 . 3]"
2 29 GLU 1.197 0.375 30 0 "[ . 1 . 2 . 3]"
2 30 PRO 0.003 0.003 8 0 "[ . 1 . 2 . 3]"
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 6 THR CG2 1 7 ASP H 0.000 . 6.530 3.973 2.705 5.001 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 6 THR H 1 6 THR HB 0.000 . 4.200 3.347 2.398 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 6 THR HA 1 7 ASP H 0.000 . 3.240 2.545 2.212 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 6 THR HB 1 7 ASP H 0.000 . 4.350 3.740 2.140 4.370 0.020 28 0 "[ . 1 . 2 . 3]" 1
5 1 7 ASP CB 1 10 GLU HB2 0.000 . 6.380 3.918 2.621 6.093 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 7 ASP CB 1 10 GLU HB3 0.000 . 6.380 4.040 2.398 6.045 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 8 THR CG2 1 9 ALA H 0.000 . 6.090 3.980 3.075 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 8 THR CG2 1 70 TYR CZ 0.000 . 8.660 3.626 2.809 6.257 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 8 THR H 1 8 THR HB 0.000 . 3.730 3.214 2.341 3.765 0.035 4 0 "[ . 1 . 2 . 3]" 1
10 1 8 THR H 1 9 ALA H 0.000 . 4.040 2.936 1.990 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 8 THR H 1 10 GLU H 0.000 . 5.500 3.881 2.915 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 8 THR HA 1 11 GLN CB 0.000 . 3.920 3.815 3.502 3.939 0.019 5 0 "[ . 1 . 2 . 3]" 1
13 1 8 THR HA 1 11 GLN CG 0.000 . 6.380 4.656 4.052 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 8 THR HA 1 11 GLN HB2 0.000 . 4.110 3.063 2.510 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 8 THR HA 1 11 GLN HB3 0.000 . 4.110 3.660 3.055 4.129 0.019 9 0 "[ . 1 . 2 . 3]" 1
16 1 8 THR HA 1 70 TYR CZ 0.000 . 7.630 5.133 4.056 7.007 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 8 THR HB 1 9 ALA CB 0.000 . 5.070 4.406 4.041 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 8 THR HB 1 9 ALA H 0.000 . 3.020 2.340 1.841 3.024 0.004 12 0 "[ . 1 . 2 . 3]" 1
19 1 9 ALA CB 1 12 VAL HB 0.000 . 6.120 4.935 4.731 5.101 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 9 ALA CB 1 13 ILE CD1 0.000 . 6.320 5.335 4.444 6.183 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 9 ALA CB 1 67 SER HA 0.000 . 4.730 4.583 4.046 4.751 0.021 19 0 "[ . 1 . 2 . 3]" 1
22 1 9 ALA CB 1 70 TYR CB 0.000 . 5.780 4.929 3.967 5.663 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 9 ALA CB 1 70 TYR H 0.000 . 6.530 5.916 5.348 6.514 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 9 ALA CB 1 70 TYR HB2 0.000 . 6.400 4.353 3.534 5.361 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 9 ALA CB 1 70 TYR HB3 0.000 . 6.400 4.896 3.593 5.799 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 9 ALA CB 1 70 TYR QD 0.000 . 5.160 4.080 3.240 4.880 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 9 ALA CB 1 70 TYR QE 0.000 . 6.530 5.118 2.819 6.251 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 9 ALA H 1 11 GLN H 0.000 . 4.040 4.065 3.973 4.099 0.059 9 0 "[ . 1 . 2 . 3]" 1
29 1 9 ALA HA 1 12 VAL CB 0.000 . 6.910 3.930 3.760 4.108 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 9 ALA HA 1 12 VAL H 0.000 . 3.830 3.485 3.395 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 9 ALA HA 1 12 VAL HB 0.000 . 3.830 3.225 2.922 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 9 ALA HA 1 70 TYR QD 0.000 . 5.160 3.230 1.944 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 9 ALA HA 1 70 TYR QE 0.000 . 5.310 3.654 2.633 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 10 GLU CB 1 11 GLN H 0.000 . 3.950 3.083 3.069 3.107 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 10 GLU CG 1 10 GLU H 0.000 . 4.620 3.868 3.692 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 10 GLU H 1 10 GLU HB2 0.000 . 3.080 2.141 1.954 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 10 GLU H 1 10 GLU HB3 0.000 . 3.080 2.793 2.320 3.089 0.009 2 0 "[ . 1 . 2 . 3]" 1
38 1 10 GLU H 1 10 GLU HG2 0.000 . 4.880 4.370 3.710 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 10 GLU H 1 10 GLU HG3 0.000 . 4.880 4.279 3.869 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 10 GLU H 1 11 GLN H 0.000 . 5.500 2.739 2.562 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 10 GLU HA 1 13 ILE CD1 0.000 . 4.200 3.134 2.573 4.225 0.025 30 0 "[ . 1 . 2 . 3]" 1
42 1 10 GLU HA 1 13 ILE CG2 0.000 . 6.530 4.601 4.238 5.043 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 10 GLU HA 1 13 ILE H 0.000 . 3.980 3.537 3.380 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 10 GLU HA 1 13 ILE HB 0.000 . 3.210 2.792 2.451 3.170 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 10 GLU HB2 1 11 GLN H 0.000 . 4.290 3.612 3.321 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 10 GLU HB3 1 11 GLN H 0.000 . 4.290 2.674 2.595 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 11 GLN CB 1 12 VAL CB 0.000 . 7.950 5.221 5.151 5.318 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 11 GLN CB 2 17 THR CG2 0.000 . 6.050 4.467 3.727 5.358 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 11 GLN CG 1 12 VAL H 0.000 . 6.380 4.285 3.799 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 11 GLN CG 2 17 THR CG2 0.000 . 6.070 4.195 3.442 5.912 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 11 GLN H 1 11 GLN HB2 0.000 . 3.450 2.081 1.933 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 11 GLN H 1 11 GLN HB3 0.000 . 3.450 2.930 2.402 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 11 GLN H 1 12 VAL CB 0.000 . 8.090 5.164 5.114 5.225 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 11 GLN H 1 12 VAL H 0.000 . 3.890 2.772 2.719 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 11 GLN HA 1 14 ALA CB 0.000 . 4.230 3.652 3.390 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 11 GLN HA 1 14 ALA H 0.000 . 3.730 3.579 3.391 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 11 GLN HB2 1 12 VAL CG1 0.000 . 9.650 7.193 6.636 7.645 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 11 GLN HB2 1 12 VAL CG2 0.000 . 9.650 5.297 4.622 5.921 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 11 GLN HB2 1 12 VAL H 0.000 . 4.260 3.352 2.817 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 11 GLN HB2 2 17 THR CG2 0.000 . 6.530 5.325 4.439 5.995 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 11 GLN HB3 1 12 VAL CG1 0.000 . 9.650 5.971 5.700 6.171 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 11 GLN HB3 1 12 VAL CG2 0.000 . 9.650 4.092 3.699 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 11 GLN HB3 1 12 VAL H 0.000 . 4.260 2.583 2.355 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 11 GLN HB3 2 17 THR CG2 0.000 . 6.530 3.831 2.742 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 12 VAL CB 1 15 SER H 0.000 . 6.210 5.064 4.907 5.234 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 12 VAL CB 1 16 PHE HD2 0.000 . 6.070 3.674 3.227 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 12 VAL CB 1 16 PHE HE2 0.000 . 5.830 4.142 3.864 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 12 VAL CB 1 47 MET CE 0.000 . 9.120 9.056 8.479 9.155 0.035 9 0 "[ . 1 . 2 . 3]" 1
69 1 12 VAL CB 1 66 SER CB 0.000 . 8.960 4.170 3.525 4.865 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 12 VAL CB 1 66 SER HA 0.000 . 7.590 4.472 3.917 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 12 VAL CB 1 69 LEU CG 0.000 . 8.990 7.258 5.613 8.371 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 12 VAL CB 1 70 TYR QD 0.000 . 7.650 5.427 4.092 6.461 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 12 VAL CB 1 70 TYR QE 0.000 . 5.480 4.654 3.732 5.401 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 12 VAL CB 2 17 THR CG2 0.000 . 6.740 5.511 4.858 6.189 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 12 VAL CB 2 18 VAL CB 0.000 . 7.930 6.417 5.868 6.837 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 12 VAL CB 2 21 ALA CB 0.000 . 5.980 5.221 4.928 5.416 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 12 VAL CB 2 21 ALA H 0.000 . 7.500 6.910 6.426 7.133 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 12 VAL CB 2 21 ALA HA 0.000 . 7.190 7.052 6.702 7.204 0.014 3 0 "[ . 1 . 2 . 3]" 1
79 1 12 VAL CG1 1 13 ILE H 0.000 . 6.090 3.858 3.538 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 12 VAL CG1 1 15 SER H 0.000 . 6.530 5.591 5.359 5.823 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 12 VAL CG1 1 69 LEU CD1 0.000 . 10.690 6.264 4.711 8.869 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 12 VAL CG1 1 69 LEU CD2 0.000 . 10.690 7.050 4.060 9.080 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 12 VAL CG1 1 70 TYR QE 0.000 . 6.500 5.246 4.360 5.964 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 12 VAL CG1 2 17 THR CG2 0.000 . 7.560 6.150 5.320 7.009 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 12 VAL CG1 2 18 VAL CG1 0.000 . 10.340 5.515 4.810 6.181 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 12 VAL CG1 2 18 VAL CG2 0.000 . 10.340 5.060 4.415 5.590 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 12 VAL CG1 2 18 VAL HA 0.000 . 5.780 4.339 3.719 4.907 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 12 VAL CG1 2 21 ALA CB 0.000 . 6.590 5.053 4.403 5.465 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 12 VAL CG2 1 13 ILE H 0.000 . 6.090 4.179 3.983 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 12 VAL CG2 1 15 SER H 0.000 . 6.530 5.983 5.856 6.126 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 12 VAL CG2 1 69 LEU CD1 0.000 . 10.690 6.229 5.081 8.612 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 12 VAL CG2 1 69 LEU CD2 0.000 . 10.690 6.832 3.481 9.012 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 12 VAL CG2 1 70 TYR QE 0.000 . 6.500 3.424 2.379 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 12 VAL CG2 2 17 THR CG2 0.000 . 7.560 5.022 4.355 5.668 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 12 VAL CG2 2 18 VAL CG1 0.000 . 10.340 6.837 5.879 7.455 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 12 VAL CG2 2 18 VAL CG2 0.000 . 10.340 6.165 5.551 6.733 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 12 VAL CG2 2 18 VAL HA 0.000 . 5.780 4.716 4.090 5.237 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 12 VAL CG2 2 21 ALA CB 0.000 . 6.590 4.095 3.603 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 12 VAL H 1 12 VAL HB 0.000 . 3.170 2.435 2.278 2.592 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 12 VAL H 1 13 ILE H 0.000 . 3.550 2.766 2.668 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 12 VAL HA 1 15 SER CB 0.000 . 3.750 3.439 3.220 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 12 VAL HA 1 15 SER H 0.000 . 3.790 3.489 3.342 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 12 VAL HA 1 15 SER HB2 0.000 . 4.230 2.997 2.278 4.234 0.004 13 0 "[ . 1 . 2 . 3]" 1
104 1 12 VAL HA 1 15 SER HB3 0.000 . 4.230 3.890 2.866 4.241 0.011 14 0 "[ . 1 . 2 . 3]" 1
105 1 12 VAL HA 2 17 THR CG2 0.000 . 4.820 3.822 3.159 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 12 VAL HA 2 18 VAL CB 0.000 . 7.840 5.260 4.818 5.697 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 12 VAL HA 2 21 ALA CB 0.000 . 6.530 5.500 5.180 5.769 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 12 VAL HB 1 13 ILE H 0.000 . 3.390 2.437 2.250 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 12 VAL HB 1 70 TYR QE 0.000 . 5.500 4.703 3.711 5.466 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 13 ILE CD1 1 13 ILE H 0.000 . 5.260 3.613 2.749 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 13 ILE CD1 1 13 ILE HA 0.000 . 4.670 4.067 2.493 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 13 ILE CD1 1 14 ALA H 0.000 . 6.220 4.957 4.561 5.144 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 13 ILE CD1 1 63 ALA CB 0.000 . 6.220 4.881 4.196 5.460 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 13 ILE CD1 1 63 ALA HA 0.000 . 4.330 4.033 2.595 4.350 0.020 24 0 "[ . 1 . 2 . 3]" 1
115 1 13 ILE CD1 1 67 SER H 0.000 . 6.430 6.070 5.252 6.442 0.012 10 0 "[ . 1 . 2 . 3]" 1
116 1 13 ILE CG1 1 13 ILE H 0.000 . 4.760 2.675 2.408 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 13 ILE CG1 1 14 ALA H 0.000 . 4.890 4.196 4.020 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 13 ILE CG2 1 14 ALA H 0.000 . 4.920 3.682 3.502 3.876 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 13 ILE CG2 1 14 ALA HA 0.000 . 6.060 4.421 4.245 4.694 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 13 ILE CG2 1 62 TYR HD1 0.000 . 5.230 4.764 4.148 5.178 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 13 ILE CG2 1 62 TYR HH 0.000 . 6.370 4.943 4.226 5.896 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 13 ILE CG2 1 63 ALA CB 0.000 . 6.100 5.322 4.449 5.759 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 13 ILE CG2 1 63 ALA HA 0.000 . 5.040 4.878 4.267 5.062 0.022 27 0 "[ . 1 . 2 . 3]" 1
124 1 13 ILE H 1 13 ILE HB 0.000 . 3.240 2.358 2.246 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 13 ILE H 1 13 ILE HG12 0.000 . 5.500 3.417 1.859 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 13 ILE H 1 13 ILE HG13 0.000 . 5.500 2.159 1.867 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 13 ILE H 1 14 ALA CB 0.000 . 6.530 5.165 5.032 5.250 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 13 ILE H 1 14 ALA H 0.000 . 3.550 2.792 2.655 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 13 ILE H 1 16 PHE H 0.000 . 4.450 4.509 4.457 4.535 0.085 29 0 "[ . 1 . 2 . 3]" 1
130 1 13 ILE HB 1 14 ALA H 0.000 . 3.240 2.372 2.275 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 13 ILE HG12 1 14 ALA H 0.000 . 5.470 4.897 3.908 5.027 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 13 ILE HG12 1 63 ALA HA 0.000 . 4.660 2.628 2.125 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 13 ILE HG13 1 14 ALA H 0.000 . 5.470 4.291 4.045 4.734 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 13 ILE HG13 1 63 ALA HA 0.000 . 4.660 3.550 2.758 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 14 ALA CB 1 14 ALA H 0.000 . 3.550 2.464 2.460 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 14 ALA H 1 15 SER H 0.000 . 3.360 2.725 2.654 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 14 ALA HA 1 17 ARG CB 0.000 . 3.770 3.432 3.243 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 14 ALA HA 1 17 ARG H 0.000 . 3.730 3.494 3.342 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 14 ALA HA 1 17 ARG HB2 0.000 . 4.010 2.821 2.434 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 14 ALA HA 1 17 ARG HB3 0.000 . 4.010 3.103 2.626 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 14 ALA HA 1 18 ILE H 0.000 . 4.260 4.274 4.243 4.318 0.058 18 0 "[ . 1 . 2 . 3]" 1
142 1 15 SER CB 2 14 ALA CB 0.000 . 5.740 3.870 3.535 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 15 SER CB 2 14 ALA HA 0.000 . 5.230 3.200 2.733 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 15 SER CB 2 17 THR CG2 0.000 . 6.030 4.162 3.655 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 15 SER CB 2 18 VAL CB 0.000 . 7.380 4.920 4.511 5.395 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 15 SER CB 2 18 VAL HA 0.000 . 6.380 5.096 4.711 5.460 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 15 SER CB 2 18 VAL HB 0.000 . 6.380 5.318 4.915 5.733 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 15 SER H 1 16 PHE H 0.000 . 3.420 2.610 2.558 2.678 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 15 SER H 1 17 ARG H 0.000 . 5.500 4.107 3.989 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 15 SER H 2 18 VAL CB 0.000 . 8.090 6.985 6.547 7.430 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 15 SER HA 1 18 ILE CD1 0.000 . 3.680 3.390 2.925 3.690 0.010 5 0 "[ . 1 . 2 . 3]" 1
152 1 15 SER HA 1 18 ILE H 0.000 . 4.200 3.663 3.472 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 15 SER HA 1 18 ILE HB 0.000 . 3.950 3.014 2.830 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 15 SER HA 2 14 ALA CB 0.000 . 4.610 2.766 2.418 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 15 SER HA 2 14 ALA HA 0.000 . 3.790 3.022 2.584 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 15 SER HA 2 17 THR CG2 0.000 . 5.940 5.820 5.387 5.949 0.009 29 0 "[ . 1 . 2 . 3]" 1
157 1 15 SER HA 2 18 VAL CB 0.000 . 7.470 6.588 6.178 6.988 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 15 SER HB2 1 16 PHE H 0.000 . 5.340 2.842 2.412 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 15 SER HB2 2 14 ALA CB 0.000 . 6.530 4.436 3.025 5.301 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 15 SER HB2 2 17 THR CG2 0.000 . 6.530 4.247 3.822 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 15 SER HB2 2 18 VAL CG1 0.000 . 9.370 5.451 4.751 6.411 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 15 SER HB2 2 18 VAL CG2 0.000 . 9.370 3.114 2.374 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 15 SER HB3 1 16 PHE H 0.000 . 5.340 3.699 2.815 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 15 SER HB3 2 14 ALA CB 0.000 . 6.530 3.541 2.891 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 15 SER HB3 2 17 THR CG2 0.000 . 6.530 4.045 3.174 4.837 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 15 SER HB3 2 18 VAL CG1 0.000 . 9.370 5.778 4.970 7.200 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 15 SER HB3 2 18 VAL CG2 0.000 . 9.370 3.323 2.529 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 15 SER HG 2 17 THR CG2 0.000 . 5.810 3.278 2.389 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 15 SER HG 2 18 VAL CB 0.000 . 8.090 5.481 3.904 6.687 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 16 PHE CB 1 16 PHE H 0.000 . 3.420 2.468 2.459 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 16 PHE CB 1 19 LEU H 0.000 . 5.040 4.990 4.874 5.051 0.011 8 0 "[ . 1 . 2 . 3]" 1
172 1 16 PHE CG 1 17 ARG H 0.000 . 7.620 4.453 4.415 4.489 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 16 PHE CZ 2 18 VAL CB 0.000 . 9.680 4.714 4.369 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 16 PHE H 1 16 PHE HB2 0.000 . 3.610 2.017 1.980 2.094 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 16 PHE H 1 16 PHE HB3 0.000 . 3.610 3.389 3.339 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 16 PHE H 1 17 ARG H 0.000 . 3.550 2.634 2.605 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 16 PHE H 2 18 VAL CB 0.000 . 8.060 6.027 5.722 6.369 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 16 PHE HA 1 19 LEU CB 0.000 . 4.320 3.468 3.263 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 16 PHE HA 1 19 LEU CG 0.000 . 6.800 3.817 3.000 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 16 PHE HA 1 19 LEU H 0.000 . 4.040 3.311 3.188 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 16 PHE HA 1 19 LEU HB2 0.000 . 4.630 2.558 2.293 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 16 PHE HA 1 19 LEU HB3 0.000 . 4.630 3.942 3.375 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 16 PHE HA 1 19 LEU HG 0.000 . 5.500 3.877 2.267 5.355 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 16 PHE HA 1 20 ALA H 0.000 . 4.040 4.064 4.024 4.103 0.063 20 0 "[ . 1 . 2 . 3]" 1
185 1 16 PHE HA 1 26 ILE CD1 0.000 . 6.530 6.122 4.745 6.569 0.039 28 0 "[ . 1 . 2 . 3]" 1
186 1 16 PHE HA 2 18 VAL CB 0.000 . 7.380 5.607 5.143 5.925 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 16 PHE HD1 1 19 LEU CG 0.000 . 7.940 4.604 3.892 5.212 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 16 PHE HD1 1 26 ILE CD1 0.000 . 5.190 4.760 3.265 5.209 0.019 7 0 "[ . 1 . 2 . 3]" 1
189 1 16 PHE HD1 1 31 LEU CG 0.000 . 7.540 6.113 5.018 7.394 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 16 PHE HD1 1 35 LEU CG 0.000 . 8.100 7.027 6.234 7.722 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 16 PHE HE1 1 26 ILE CG2 0.000 . 6.530 4.829 3.899 5.706 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 16 PHE HE1 1 31 LEU CG 0.000 . 6.240 4.795 3.501 5.872 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 16 PHE HE1 1 35 LEU CG 0.000 . 7.690 5.678 4.654 6.467 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 16 PHE HE2 2 18 VAL CB 0.000 . 6.790 5.129 4.311 5.495 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 16 PHE HE2 2 18 VAL HA 0.000 . 5.500 4.609 4.044 5.152 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 16 PHE HZ 1 47 MET CE 0.000 . 6.530 3.835 3.358 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 16 PHE HZ 1 65 PHE CG 0.000 . 7.620 4.786 3.823 5.900 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 16 PHE HZ 1 69 LEU CG 0.000 . 8.100 7.809 7.203 8.104 0.004 10 0 "[ . 1 . 2 . 3]" 1
199 1 16 PHE HZ 2 22 VAL CB 0.000 . 6.790 6.314 5.279 6.793 0.003 12 0 "[ . 1 . 2 . 3]" 1
200 1 17 ARG CB 1 20 ALA H 0.000 . 6.160 5.077 4.919 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 17 ARG CB 1 62 TYR HH 0.000 . 6.220 4.306 3.697 5.687 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 17 ARG CD 1 22 ASP HA 0.000 . 6.100 3.864 2.345 5.299 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 17 ARG CD 1 62 TYR HH 0.000 . 6.380 4.596 2.864 6.206 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 17 ARG CG 1 17 ARG H 0.000 . 4.580 3.828 3.530 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 17 ARG CG 1 22 ASP H 0.000 . 5.940 4.368 3.756 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 17 ARG CG 1 22 ASP HA 0.000 . 4.220 3.398 2.848 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 17 ARG CG 1 62 TYR HH 0.000 . 4.870 4.117 3.470 4.704 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 17 ARG H 1 17 ARG HB2 0.000 . 3.240 2.107 1.928 2.495 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 17 ARG H 1 17 ARG HB3 0.000 . 3.240 2.861 2.388 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 17 ARG H 1 17 ARG HG2 0.000 . 4.970 4.407 3.580 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 17 ARG H 1 17 ARG HG3 0.000 . 4.970 4.107 3.545 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 17 ARG H 1 18 ILE H 0.000 . 3.580 2.820 2.760 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 17 ARG H 1 19 LEU H 0.000 . 5.500 4.265 4.160 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 17 ARG HA 1 20 ALA CB 0.000 . 4.880 3.670 3.259 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 17 ARG HA 1 20 ALA H 0.000 . 4.290 3.477 3.249 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 17 ARG HA 1 62 TYR HH 0.000 . 4.510 3.291 2.736 4.577 0.067 9 0 "[ . 1 . 2 . 3]" 1
217 1 17 ARG HG2 1 22 ASP HA 0.000 . 4.420 2.825 1.869 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 17 ARG HG2 1 62 TYR HH 0.000 . 5.340 4.623 2.399 5.339 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 17 ARG HG3 1 22 ASP HA 0.000 . 4.420 3.485 2.076 4.428 0.008 3 0 "[ . 1 . 2 . 3]" 1
220 1 17 ARG HG3 1 62 TYR HH 0.000 . 5.340 3.602 2.523 4.755 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 18 ILE CD1 1 18 ILE H 0.000 . 5.380 3.819 3.541 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 18 ILE CD1 1 19 LEU H 0.000 . 6.310 5.148 5.026 5.258 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 18 ILE CD1 2 10 LYS CB 0.000 . 7.220 5.321 4.143 6.256 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 18 ILE CD1 2 10 LYS CD 0.000 . 6.750 4.924 3.477 6.375 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 18 ILE CD1 2 10 LYS CE 0.000 . 7.030 5.346 3.550 6.853 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 18 ILE CD1 2 10 LYS CG 0.000 . 6.750 4.823 3.468 6.463 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 18 ILE CD1 2 11 LYS HA 0.000 . 4.540 4.307 3.936 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 18 ILE CD1 2 11 LYS HG2 0.000 . 6.090 5.954 5.733 6.089 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 18 ILE CD1 2 11 LYS HG3 0.000 . 6.090 5.864 5.456 6.095 0.005 24 0 "[ . 1 . 2 . 3]" 1
230 1 18 ILE CD1 2 14 ALA CB 0.000 . 5.910 3.555 3.101 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 18 ILE CD1 2 14 ALA HA 0.000 . 6.530 4.680 4.214 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 18 ILE CG1 1 18 ILE H 0.000 . 3.860 2.796 2.649 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 18 ILE CG1 2 10 LYS CD 0.000 . 7.250 5.674 4.381 7.117 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 18 ILE CG1 2 11 LYS HA 0.000 . 6.380 4.619 4.373 4.908 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 18 ILE CG1 2 14 ALA CB 0.000 . 6.160 4.337 4.074 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 18 ILE CG2 1 19 LEU H 0.000 . 5.290 3.678 3.519 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 18 ILE CG2 1 21 SER H 0.000 . 6.530 5.264 5.069 5.366 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 18 ILE CG2 2 10 LYS CB 0.000 . 7.280 5.766 4.669 6.368 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 18 ILE CG2 2 11 LYS CB 0.000 . 6.470 4.160 3.868 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 18 ILE CG2 2 11 LYS CD 0.000 . 7.400 5.005 4.651 5.306 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 18 ILE CG2 2 11 LYS CE 0.000 . 6.540 5.595 4.752 6.193 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 18 ILE CG2 2 11 LYS HA 0.000 . 3.990 2.629 2.420 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 18 ILE CG2 2 11 LYS HG2 0.000 . 4.790 3.372 3.046 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 18 ILE CG2 2 11 LYS HG3 0.000 . 4.790 3.058 2.635 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 18 ILE CG2 2 14 ALA CB 0.000 . 5.600 3.832 3.598 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 18 ILE CG2 2 14 ALA HA 0.000 . 6.000 5.854 5.585 6.013 0.013 16 0 "[ . 1 . 2 . 3]" 1
247 1 18 ILE CG2 2 15 VAL CB 0.000 . 7.630 7.594 7.350 7.649 0.019 1 0 "[ . 1 . 2 . 3]" 1
248 1 18 ILE H 1 18 ILE HB 0.000 . 2.960 2.268 2.168 2.367 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 18 ILE H 1 18 ILE HG12 0.000 . 4.260 3.564 3.375 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 18 ILE H 1 18 ILE HG13 0.000 . 4.260 2.242 2.013 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 18 ILE H 1 19 LEU H 0.000 . 3.480 2.744 2.698 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 18 ILE H 2 14 ALA CB 0.000 . 6.530 5.055 4.711 5.340 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 18 ILE HA 1 18 ILE HG12 0.000 . 4.010 2.496 2.393 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 18 ILE HA 1 18 ILE HG13 0.000 . 4.010 2.793 2.440 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 18 ILE HA 1 21 SER H 0.000 . 3.890 3.590 3.415 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 18 ILE HA 1 21 SER HA 0.000 . 4.040 3.864 3.628 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 18 ILE HA 1 22 ASP H 0.000 . 3.670 3.183 2.747 3.687 0.017 9 0 "[ . 1 . 2 . 3]" 1
258 1 18 ILE HA 2 14 ALA CB 0.000 . 6.370 5.989 5.745 6.199 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 18 ILE HB 1 19 LEU H 0.000 . 3.270 2.507 2.439 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 18 ILE HB 2 14 ALA CB 0.000 . 5.100 3.115 2.845 3.358 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 18 ILE HG12 2 14 ALA CB 0.000 . 6.530 5.155 4.831 5.444 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 18 ILE HG13 2 14 ALA CB 0.000 . 6.530 4.880 4.432 5.216 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 19 LEU CB 1 20 ALA CB 0.000 . 7.400 5.122 5.044 5.183 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 19 LEU CB 1 20 ALA H 0.000 . 3.890 3.013 2.978 3.109 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 19 LEU CB 1 26 ILE CD1 0.000 . 5.770 4.810 3.646 5.646 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 19 LEU CD1 1 19 LEU H 0.000 . 5.660 3.753 2.858 4.489 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 19 LEU CD1 1 20 ALA H 0.000 . 6.530 5.165 4.902 5.314 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 19 LEU CD1 1 34 GLU HB2 0.000 . 9.540 4.517 3.275 5.607 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 19 LEU CD1 1 34 GLU HB3 0.000 . 9.540 3.758 2.341 6.326 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 19 LEU CD1 1 35 LEU CD1 0.000 . 10.690 4.951 3.528 7.041 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 19 LEU CD1 1 35 LEU CD2 0.000 . 10.690 6.276 5.375 7.772 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 19 LEU CD1 2 11 LYS HG2 0.000 . 8.090 4.676 3.297 6.145 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 19 LEU CD1 2 11 LYS HG3 0.000 . 8.090 5.909 4.473 7.315 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 19 LEU CD1 2 14 ALA CB 0.000 . 7.490 5.114 3.456 6.301 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 19 LEU CD1 2 15 VAL CG1 0.000 . 7.560 5.736 5.103 6.241 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 19 LEU CD1 2 15 VAL CG2 0.000 . 7.560 4.196 3.286 5.129 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 19 LEU CD1 2 15 VAL H 0.000 . 6.530 5.132 3.946 5.906 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 19 LEU CD1 2 15 VAL HA 0.000 . 5.380 4.232 3.497 5.386 0.006 27 0 "[ . 1 . 2 . 3]" 1
279 1 19 LEU CD1 2 18 VAL CG1 0.000 . 10.680 6.166 4.649 7.652 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 19 LEU CD1 2 18 VAL CG2 0.000 . 10.680 5.259 3.899 6.953 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 19 LEU CD2 1 19 LEU H 0.000 . 5.660 3.558 2.736 4.640 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 19 LEU CD2 1 20 ALA H 0.000 . 6.530 5.166 4.838 5.500 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 19 LEU CD2 1 34 GLU HB2 0.000 . 9.540 4.805 3.376 6.357 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 19 LEU CD2 1 34 GLU HB3 0.000 . 9.540 3.958 2.662 6.760 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 19 LEU CD2 1 35 LEU CD1 0.000 . 10.690 5.223 3.178 6.715 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 19 LEU CD2 1 35 LEU CD2 0.000 . 10.690 6.420 4.690 7.508 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 19 LEU CD2 2 11 LYS HG2 0.000 . 8.090 4.274 2.705 6.099 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 19 LEU CD2 2 11 LYS HG3 0.000 . 8.090 5.536 3.699 7.574 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 19 LEU CD2 2 14 ALA CB 0.000 . 7.490 4.763 3.553 6.735 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 19 LEU CD2 2 15 VAL CG1 0.000 . 7.560 5.671 5.070 6.119 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 19 LEU CD2 2 15 VAL CG2 0.000 . 7.560 4.020 3.312 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 19 LEU CD2 2 15 VAL H 0.000 . 6.530 4.836 3.812 6.328 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 19 LEU CD2 2 15 VAL HA 0.000 . 5.380 4.149 3.536 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 19 LEU CD2 2 18 VAL CG1 0.000 . 10.680 6.357 4.653 7.476 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 19 LEU CD2 2 18 VAL CG2 0.000 . 10.680 5.329 3.982 6.210 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 19 LEU CG 1 31 LEU CG 0.000 . 10.690 7.327 6.089 8.547 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 19 LEU CG 1 34 GLU CB 0.000 . 7.120 4.572 3.603 6.172 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 19 LEU CG 1 34 GLU CG 0.000 . 7.490 4.821 3.770 5.647 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 19 LEU CG 1 34 GLU H 0.000 . 8.100 6.823 5.731 7.931 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 19 LEU CG 1 35 LEU CG 0.000 . 8.570 5.742 5.075 6.455 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 19 LEU CG 2 11 LYS CB 0.000 . 8.110 6.716 6.277 7.113 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 19 LEU CG 2 11 LYS CD 0.000 . 8.970 5.981 5.426 6.647 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 19 LEU CG 2 11 LYS CE 0.000 . 7.890 6.404 4.983 7.485 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 19 LEU CG 2 11 LYS CG 0.000 . 6.410 5.572 4.979 6.000 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 19 LEU CG 2 11 LYS HA 0.000 . 6.110 5.907 5.525 6.097 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 19 LEU CG 2 14 ALA CB 0.000 . 6.760 5.101 4.581 5.892 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 19 LEU CG 2 15 VAL CB 0.000 . 6.510 5.588 4.926 6.074 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 19 LEU CG 2 15 VAL H 0.000 . 5.980 5.416 5.009 5.847 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 19 LEU CG 2 15 VAL HA 0.000 . 5.020 4.587 4.041 4.974 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 19 LEU CG 2 15 VAL HB 0.000 . 8.100 6.452 5.779 6.965 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 19 LEU CG 2 18 VAL CB 0.000 . 8.080 6.148 5.757 6.630 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 19 LEU CG 2 18 VAL HB 0.000 . 8.100 5.843 5.454 6.324 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 19 LEU H 1 19 LEU HB2 0.000 . 3.760 2.185 1.940 2.620 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 19 LEU H 1 19 LEU HB3 0.000 . 3.760 3.425 3.254 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 19 LEU H 1 19 LEU HG 0.000 . 4.170 3.172 1.854 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 19 LEU H 1 20 ALA H 0.000 . 3.300 2.671 2.632 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 19 LEU H 1 21 SER H 0.000 . 5.280 3.890 3.782 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 19 LEU HA 2 11 LYS CD 0.000 . 6.380 4.532 3.807 5.238 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 19 LEU HA 2 11 LYS CE 0.000 . 6.380 4.873 3.707 6.065 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 19 LEU HB2 1 20 ALA H 0.000 . 4.200 2.710 2.445 3.071 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 19 LEU HB2 1 26 ILE CD1 0.000 . 6.530 4.856 3.031 5.999 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 19 LEU HB3 1 20 ALA H 0.000 . 4.200 3.328 2.920 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 19 LEU HB3 1 26 ILE CD1 0.000 . 6.530 3.962 2.727 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 19 LEU HG 1 20 ALA H 0.000 . 5.500 4.622 3.905 5.191 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 19 LEU HG 1 26 ILE CG1 0.000 . 6.070 6.030 5.678 6.109 0.039 9 0 "[ . 1 . 2 . 3]" 1
326 1 19 LEU HG 2 14 ALA CB 0.000 . 6.530 5.119 3.860 6.430 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 19 LEU HG 2 18 VAL CB 0.000 . 8.090 6.107 4.739 7.392 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 20 ALA CB 1 22 ASP H 0.000 . 5.630 4.854 4.375 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 20 ALA CB 1 23 LYS CB 0.000 . 6.780 3.761 3.490 4.100 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 20 ALA CB 1 23 LYS H 0.000 . 5.380 3.637 3.163 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 20 ALA CB 1 25 TYR H 0.000 . 6.530 4.502 4.026 4.833 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 20 ALA CB 1 26 ILE CD1 0.000 . 6.070 4.596 3.991 5.090 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 20 ALA CB 1 26 ILE H 0.000 . 6.530 5.219 4.856 5.434 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 20 ALA CB 1 26 ILE HA 0.000 . 4.980 3.342 2.928 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 20 ALA CB 1 26 ILE HB 0.000 . 5.440 3.521 2.476 4.206 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 20 ALA CB 1 26 ILE HG12 0.000 . 5.190 3.172 2.350 5.134 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 20 ALA CB 1 26 ILE HG13 0.000 . 5.190 3.888 2.891 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 20 ALA CB 1 27 LEU H 0.000 . 6.220 5.156 4.762 5.643 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 20 ALA CB 1 62 TYR HD2 0.000 . 6.220 4.875 4.335 5.351 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 20 ALA CB 1 62 TYR HH 0.000 . 5.540 5.118 4.516 5.596 0.056 27 0 "[ . 1 . 2 . 3]" 1
341 1 20 ALA H 1 22 ASP H 0.000 . 4.910 4.490 3.996 4.926 0.016 22 0 "[ . 1 . 2 . 3]" 1
342 1 20 ALA H 1 26 ILE CD1 0.000 . 5.690 4.916 4.000 5.549 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 20 ALA HA 1 26 ILE CD1 0.000 . 5.690 3.686 3.108 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 20 ALA HA 1 26 ILE HA 0.000 . 3.640 3.257 2.748 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 20 ALA HA 1 27 LEU H 0.000 . 4.760 4.115 3.570 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 21 SER H 1 21 SER HB2 0.000 . 3.980 3.037 2.956 3.080 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 21 SER H 1 21 SER HB3 0.000 . 3.980 3.854 3.617 4.024 0.044 3 0 "[ . 1 . 2 . 3]" 1
348 1 21 SER H 1 22 ASP H 0.000 . 3.450 2.961 2.774 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 21 SER H 1 23 LYS H 0.000 . 4.600 4.423 3.949 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 21 SER HA 1 22 ASP H 0.000 . 3.420 2.600 2.429 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 22 ASP H 1 23 LYS H 0.000 . 3.520 3.022 2.698 3.140 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 22 ASP HA 1 23 LYS H 0.000 . 3.610 2.675 2.581 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 23 LYS CE 1 27 LEU CG 0.000 . 8.970 7.590 5.513 8.884 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 23 LYS CG 1 23 LYS H 0.000 . 3.850 3.615 3.241 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 23 LYS H 1 23 LYS HB2 0.000 . 3.860 2.602 2.249 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 23 LYS H 1 23 LYS HB3 0.000 . 3.860 3.763 3.514 3.864 0.004 22 0 "[ . 1 . 2 . 3]" 1
357 1 23 LYS H 1 23 LYS HG2 0.000 . 4.010 3.806 2.837 4.012 0.002 2 0 "[ . 1 . 2 . 3]" 1
358 1 23 LYS H 1 23 LYS HG3 0.000 . 4.010 3.492 3.121 4.011 0.001 5 0 "[ . 1 . 2 . 3]" 1
359 1 23 LYS H 1 25 TYR H 0.000 . 4.510 4.548 4.513 4.570 0.060 14 0 "[ . 1 . 2 . 3]" 1
360 1 23 LYS HA 1 25 TYR H 0.000 . 3.610 3.654 3.637 3.685 0.075 3 0 "[ . 1 . 2 . 3]" 1
361 1 23 LYS HB2 1 25 TYR H 0.000 . 3.390 3.290 3.113 3.435 0.045 9 0 "[ . 1 . 2 . 3]" 1
362 1 23 LYS HB3 1 25 TYR H 0.000 . 3.390 2.348 2.158 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 24 PRO CB 1 25 TYR H 0.000 . 4.460 3.582 3.447 3.680 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 24 PRO CD 1 25 TYR H 0.000 . 5.110 3.157 3.008 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 24 PRO HA 1 62 TYR HH 0.000 . 3.580 2.562 1.987 3.093 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 24 PRO HB2 1 62 TYR HH 0.000 . 5.340 5.077 4.686 5.356 0.016 6 0 "[ . 1 . 2 . 3]" 1
367 1 24 PRO HB3 1 62 TYR HH 0.000 . 5.340 4.749 4.174 5.291 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 24 PRO HD2 1 25 TYR H 0.000 . 5.500 3.137 2.954 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 24 PRO HD3 1 25 TYR H 0.000 . 5.500 4.070 3.963 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 25 TYR CB 1 26 ILE H 0.000 . 3.700 3.117 2.737 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 25 TYR CB 1 50 TYR CG 0.000 . 8.520 4.933 3.633 7.330 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 25 TYR CB 1 61 ASP H 0.000 . 6.380 6.063 5.457 6.390 0.010 26 0 "[ . 1 . 2 . 3]" 1
373 1 25 TYR H 1 62 TYR HH 0.000 . 4.510 4.310 3.932 4.525 0.015 27 0 "[ . 1 . 2 . 3]" 1
374 1 25 TYR HA 1 26 ILE H 0.000 . 3.360 2.427 2.317 2.667 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 25 TYR HA 1 59 ALA CB 0.000 . 6.530 6.050 5.422 6.443 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 25 TYR HA 1 62 TYR H 0.000 . 4.010 3.648 3.293 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 25 TYR HB2 1 26 ILE H 0.000 . 4.010 2.819 2.395 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 25 TYR HB2 1 59 ALA CB 0.000 . 5.750 3.699 2.929 5.068 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 25 TYR HB2 1 60 LEU H 0.000 . 5.500 3.580 2.462 5.417 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 25 TYR HB3 1 26 ILE H 0.000 . 4.010 3.705 2.222 4.022 0.012 18 0 "[ . 1 . 2 . 3]" 1
381 1 25 TYR HB3 1 59 ALA CB 0.000 . 5.750 4.520 3.585 5.161 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 25 TYR HB3 1 60 LEU H 0.000 . 5.500 4.738 3.058 5.511 0.011 7 0 "[ . 1 . 2 . 3]" 1
383 1 26 ILE CD1 1 27 LEU H 0.000 . 5.690 3.015 2.374 4.720 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 26 ILE CD1 1 28 ALA HA 0.000 . 6.000 5.476 4.777 6.006 0.006 30 0 "[ . 1 . 2 . 3]" 1
385 1 26 ILE CD1 1 30 GLU CB 0.000 . 6.210 3.680 3.046 5.497 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 26 ILE CD1 1 30 GLU H 0.000 . 6.530 4.945 4.198 6.499 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 26 ILE CD1 1 30 GLU HB2 0.000 . 6.430 3.609 2.375 5.577 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 26 ILE CD1 1 30 GLU HB3 0.000 . 6.430 2.994 2.342 5.184 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 26 ILE CD1 1 31 LEU CG 0.000 . 7.450 4.416 3.356 5.520 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 26 ILE CG1 1 27 LEU H 0.000 . 4.970 3.255 2.724 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 26 ILE CG2 1 26 ILE H 0.000 . 4.790 3.059 2.710 3.337 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 26 ILE CG2 1 60 LEU CB 0.000 . 5.230 4.709 4.219 5.048 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 26 ILE CG2 1 60 LEU H 0.000 . 6.530 4.468 4.068 4.687 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 26 ILE CG2 1 60 LEU HB2 0.000 . 5.500 3.729 3.151 5.238 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 26 ILE CG2 1 60 LEU HB3 0.000 . 5.500 5.087 4.491 5.507 0.007 20 0 "[ . 1 . 2 . 3]" 1
396 1 26 ILE CG2 1 62 TYR H 0.000 . 5.660 4.564 3.917 5.279 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 26 ILE CG2 1 62 TYR HB2 0.000 . 6.530 5.375 4.763 5.890 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 26 ILE CG2 1 62 TYR HB3 0.000 . 6.530 3.707 3.135 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 26 ILE CG2 1 62 TYR HD2 0.000 . 4.850 3.265 2.684 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 26 ILE H 1 26 ILE HG12 0.000 . 5.500 4.493 4.367 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 26 ILE H 1 26 ILE HG13 0.000 . 5.500 4.853 4.642 4.984 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 26 ILE H 1 59 ALA HA 0.000 . 4.450 4.364 4.002 4.479 0.029 26 0 "[ . 1 . 2 . 3]" 1
403 1 26 ILE H 1 60 LEU H 0.000 . 3.830 2.974 2.510 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 26 ILE H 1 60 LEU HB2 0.000 . 5.100 3.810 3.119 4.882 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 26 ILE H 1 60 LEU HB3 0.000 . 5.100 5.017 4.638 5.145 0.045 22 0 "[ . 1 . 2 . 3]" 1
406 1 26 ILE H 1 62 TYR H 0.000 . 5.500 3.972 3.644 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 26 ILE H 1 62 TYR HD2 0.000 . 4.910 3.345 2.687 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 26 ILE HA 1 27 LEU H 0.000 . 3.240 2.291 2.241 2.382 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 26 ILE HB 1 27 LEU H 0.000 . 4.380 4.317 4.036 4.420 0.040 1 0 "[ . 1 . 2 . 3]" 1
410 1 26 ILE HB 1 62 TYR HD2 0.000 . 4.450 2.252 1.855 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 26 ILE HG12 1 27 LEU H 0.000 . 5.500 3.204 2.094 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 26 ILE HG13 1 27 LEU H 0.000 . 5.500 4.003 2.586 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 27 LEU CB 1 28 ALA H 0.000 . 4.090 3.347 3.194 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 27 LEU CB 1 29 GLU H 0.000 . 4.230 3.749 3.373 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 27 LEU CB 1 30 GLU H 0.000 . 3.760 3.242 3.084 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 27 LEU CD1 1 56 VAL CG1 0.000 . 10.680 7.435 5.649 9.489 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 27 LEU CD1 1 56 VAL CG2 0.000 . 10.680 5.793 3.649 7.383 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 27 LEU CD2 1 56 VAL CG1 0.000 . 10.680 7.253 4.439 9.113 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 27 LEU CD2 1 56 VAL CG2 0.000 . 10.680 5.447 3.364 6.710 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 27 LEU CG 1 28 ALA H 0.000 . 7.110 4.246 3.178 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 27 LEU CG 1 30 GLU CG 0.000 . 8.420 5.386 4.351 6.502 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 27 LEU CG 1 30 GLU H 0.000 . 8.100 4.646 4.136 4.891 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 27 LEU CG 1 56 VAL CB 0.000 . 8.190 6.925 5.488 8.198 0.008 29 0 "[ . 1 . 2 . 3]" 1
424 1 27 LEU CG 1 59 ALA H 0.000 . 7.260 6.098 4.785 6.815 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 27 LEU CG 1 59 ALA HA 0.000 . 5.870 4.169 3.389 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 27 LEU CG 1 60 LEU H 0.000 . 6.550 5.422 5.005 5.861 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 27 LEU H 1 27 LEU HB2 0.000 . 4.110 2.213 2.007 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 27 LEU H 1 27 LEU HB3 0.000 . 4.110 3.470 2.733 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 27 LEU H 1 27 LEU HG 0.000 . 5.100 3.178 1.965 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 27 LEU H 1 28 ALA H 0.000 . 4.600 4.626 4.596 4.649 0.049 15 0 "[ . 1 . 2 . 3]" 1
431 1 27 LEU H 1 30 GLU CB 0.000 . 4.590 3.643 3.097 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 27 LEU H 1 30 GLU CG 0.000 . 6.380 4.114 3.432 4.824 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 27 LEU H 1 30 GLU H 0.000 . 4.480 4.186 3.760 4.490 0.010 8 0 "[ . 1 . 2 . 3]" 1
434 1 27 LEU H 1 30 GLU HB2 0.000 . 5.220 3.006 2.520 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 27 LEU H 1 30 GLU HB3 0.000 . 5.220 3.544 2.470 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 27 LEU HA 1 28 ALA CB 0.000 . 5.750 4.707 4.674 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 27 LEU HA 1 28 ALA H 0.000 . 3.140 2.294 2.228 2.364 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 27 LEU HA 1 59 ALA HA 0.000 . 3.140 3.051 2.655 3.187 0.047 22 0 "[ . 1 . 2 . 3]" 1
439 1 27 LEU HA 1 60 LEU CG 0.000 . 8.100 4.808 4.054 5.339 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 27 LEU HA 1 60 LEU H 0.000 . 4.450 3.450 3.109 3.914 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 27 LEU HB2 1 28 ALA H 0.000 . 4.290 4.131 3.838 4.317 0.027 12 0 "[ . 1 . 2 . 3]" 1
442 1 27 LEU HB2 1 29 GLU H 0.000 . 4.420 4.125 3.527 4.436 0.016 3 0 "[ . 1 . 2 . 3]" 1
443 1 27 LEU HB2 1 30 GLU CG 0.000 . 6.380 3.526 2.537 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 27 LEU HB2 1 30 GLU H 0.000 . 4.260 2.876 2.476 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 27 LEU HB3 1 28 ALA H 0.000 . 4.290 3.067 2.774 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 27 LEU HB3 1 29 GLU H 0.000 . 4.420 2.939 2.530 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 27 LEU HB3 1 30 GLU CG 0.000 . 6.380 4.811 3.065 5.801 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 27 LEU HB3 1 30 GLU H 0.000 . 4.260 2.909 2.361 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 28 ALA CB 1 31 LEU HG 0.000 . 6.160 5.128 4.176 6.124 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 28 ALA CB 1 44 ILE CD1 0.000 . 7.560 3.966 3.085 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 28 ALA CB 1 44 ILE CG1 0.000 . 6.660 4.185 3.618 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 28 ALA CB 1 44 ILE CG2 0.000 . 5.970 4.699 3.530 5.893 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 28 ALA CB 1 60 LEU CG 0.000 . 8.690 5.097 4.491 6.138 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 28 ALA H 1 29 GLU H 0.000 . 4.380 2.728 2.612 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 28 ALA H 1 60 LEU CB 0.000 . 6.380 5.257 4.690 5.984 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 28 ALA H 1 60 LEU CG 0.000 . 7.230 4.509 3.915 5.295 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 28 ALA H 1 60 LEU HG 0.000 . 5.500 4.314 3.472 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 28 ALA HA 1 30 GLU H 0.000 . 4.290 4.308 4.219 4.353 0.063 8 0 "[ . 1 . 2 . 3]" 1
459 1 28 ALA HA 1 31 LEU CG 0.000 . 8.100 3.599 2.790 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 28 ALA HA 1 44 ILE CD1 0.000 . 4.050 3.628 2.444 4.081 0.031 8 0 "[ . 1 . 2 . 3]" 1
461 1 28 ALA HA 1 44 ILE HG12 0.000 . 5.500 2.984 2.048 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 28 ALA HA 1 44 ILE HG13 0.000 . 5.500 3.783 2.933 5.249 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 28 ALA HA 1 60 LEU CG 0.000 . 7.140 5.094 4.377 6.126 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 29 GLU H 1 29 GLU HB2 0.000 . 3.420 2.254 1.931 3.490 0.070 21 0 "[ . 1 . 2 . 3]" 1
465 1 29 GLU H 1 29 GLU HB3 0.000 . 3.420 3.230 2.236 3.503 0.083 13 0 "[ . 1 . 2 . 3]" 1
466 1 29 GLU H 1 29 GLU HG2 0.000 . 5.500 3.565 2.018 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 29 GLU H 1 29 GLU HG3 0.000 . 5.500 3.136 1.898 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 29 GLU H 1 30 GLU H 0.000 . 4.290 2.680 2.540 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 29 GLU HA 1 32 ARG H 0.000 . 3.860 3.466 3.250 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 29 GLU HA 1 32 ARG HB2 0.000 . 4.630 2.674 2.191 3.305 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 29 GLU HA 1 32 ARG HB3 0.000 . 4.630 3.511 2.310 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 29 GLU HB2 1 32 ARG H 0.000 . 5.500 5.528 5.293 5.589 0.089 16 0 "[ . 1 . 2 . 3]" 1
473 1 29 GLU HB3 1 32 ARG H 0.000 . 5.500 5.355 5.094 5.591 0.091 21 0 "[ . 1 . 2 . 3]" 1
474 1 29 GLU HG2 1 30 GLU H 0.000 . 5.500 4.639 1.931 5.220 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 29 GLU HG3 1 30 GLU H 0.000 . 5.500 4.610 2.388 5.213 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 30 GLU H 1 30 GLU HB2 0.000 . 3.980 2.120 1.943 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 30 GLU H 1 30 GLU HB3 0.000 . 3.980 3.137 2.364 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 30 GLU H 1 31 LEU H 0.000 . 3.390 2.717 2.552 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 30 GLU H 1 32 ARG H 0.000 . 4.720 3.986 3.785 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 30 GLU H 1 33 ARG H 0.000 . 4.850 4.823 4.688 4.909 0.059 25 0 "[ . 1 . 2 . 3]" 1
481 1 30 GLU HA 1 33 ARG H 0.000 . 3.670 3.492 3.287 3.689 0.019 9 0 "[ . 1 . 2 . 3]" 1
482 1 30 GLU HA 1 33 ARG HB2 0.000 . 4.010 3.553 3.172 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 30 GLU HA 1 33 ARG HB3 0.000 . 4.010 3.617 2.745 4.035 0.025 6 0 "[ . 1 . 2 . 3]" 1
484 1 30 GLU HB2 1 31 LEU H 0.000 . 3.890 3.017 2.354 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 30 GLU HB3 1 31 LEU H 0.000 . 3.890 2.828 2.255 3.376 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 31 LEU CB 1 31 LEU H 0.000 . 3.500 2.463 2.425 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 31 LEU CB 1 32 ARG H 0.000 . 3.670 3.105 2.980 3.169 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 31 LEU CB 1 44 ILE CD1 0.000 . 6.070 4.878 3.905 6.032 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 31 LEU CD1 1 31 LEU H 0.000 . 6.000 4.211 3.794 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 31 LEU CD1 1 43 CYS HB2 0.000 . 6.310 3.422 2.818 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 31 LEU CD1 1 43 CYS HB3 0.000 . 6.310 3.769 2.513 5.218 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 31 LEU CD1 1 44 ILE HG12 0.000 . 9.290 4.271 2.799 7.028 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 31 LEU CD1 1 44 ILE HG13 0.000 . 9.290 3.761 2.372 6.076 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 31 LEU CD2 1 31 LEU H 0.000 . 6.000 3.586 2.646 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 31 LEU CD2 1 43 CYS HB2 0.000 . 6.310 4.333 2.689 5.898 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 31 LEU CD2 1 43 CYS HB3 0.000 . 6.310 4.247 2.360 5.905 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 31 LEU CD2 1 44 ILE HG12 0.000 . 9.290 4.612 2.508 6.716 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 31 LEU CD2 1 44 ILE HG13 0.000 . 9.290 4.369 2.403 6.848 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 31 LEU CG 1 32 ARG H 0.000 . 8.100 3.700 2.610 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 31 LEU CG 1 40 ALA HA 0.000 . 7.910 3.921 2.797 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 31 LEU CG 1 43 CYS CB 0.000 . 5.530 4.745 3.777 5.530 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 31 LEU CG 1 44 ILE CG1 0.000 . 7.180 4.421 3.658 5.821 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 31 LEU CG 1 44 ILE H 0.000 . 7.510 5.096 4.462 5.993 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 31 LEU CG 1 44 ILE HA 0.000 . 7.200 5.341 4.944 6.502 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 31 LEU CG 1 47 MET CE 0.000 . 7.260 5.544 4.817 6.244 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 31 LEU CG 1 65 PHE CG 0.000 . 10.220 9.704 8.929 10.225 0.005 16 0 "[ . 1 . 2 . 3]" 1
507 1 31 LEU H 1 31 LEU HB2 0.000 . 3.760 2.764 1.984 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 31 LEU H 1 31 LEU HB3 0.000 . 3.760 2.886 1.990 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 31 LEU H 1 31 LEU HG 0.000 . 3.890 2.721 1.860 3.978 0.088 21 0 "[ . 1 . 2 . 3]" 1
510 1 31 LEU H 1 32 ARG H 0.000 . 3.520 2.635 2.564 2.711 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 31 LEU H 1 34 GLU H 0.000 . 4.790 4.582 4.445 4.812 0.022 18 0 "[ . 1 . 2 . 3]" 1
512 1 31 LEU HA 1 34 GLU H 0.000 . 4.010 3.298 2.942 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 31 LEU HA 1 35 LEU CG 0.000 . 7.540 4.616 3.993 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 31 LEU HA 1 35 LEU H 0.000 . 4.070 3.476 2.991 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 31 LEU HB2 1 32 ARG H 0.000 . 3.950 3.313 2.620 4.030 0.080 12 0 "[ . 1 . 2 . 3]" 1
516 1 31 LEU HB3 1 32 ARG H 0.000 . 3.950 3.521 2.707 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 31 LEU HG 1 44 ILE HA 0.000 . 5.500 5.422 4.493 5.545 0.045 16 0 "[ . 1 . 2 . 3]" 1
518 1 32 ARG CB 1 32 ARG H 0.000 . 3.280 2.459 2.452 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 32 ARG CB 1 33 ARG H 0.000 . 4.130 3.100 2.991 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 32 ARG CG 1 32 ARG H 0.000 . 4.630 3.354 2.495 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 32 ARG CG 1 40 ALA CB 0.000 . 6.010 3.983 3.403 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 32 ARG H 1 32 ARG HB2 0.000 . 3.480 2.142 1.928 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 32 ARG H 1 32 ARG HB3 0.000 . 3.480 3.187 2.421 3.521 0.041 4 0 "[ . 1 . 2 . 3]" 1
524 1 32 ARG H 1 32 ARG HG2 0.000 . 4.880 3.695 2.314 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 32 ARG H 1 32 ARG HG3 0.000 . 4.880 3.403 1.914 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 32 ARG H 1 33 ARG H 0.000 . 3.480 2.648 2.591 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 32 ARG H 1 34 GLU H 0.000 . 4.690 3.917 3.723 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 32 ARG H 1 40 ALA CB 0.000 . 5.940 4.500 3.759 5.140 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 32 ARG H 1 44 ILE CD1 0.000 . 6.530 4.850 3.975 6.159 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 32 ARG HA 1 40 ALA CB 0.000 . 3.890 2.563 2.318 3.131 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 32 ARG HB2 1 33 ARG H 0.000 . 4.480 3.107 2.532 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 32 ARG HB3 1 33 ARG H 0.000 . 4.480 3.157 2.624 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 32 ARG HG2 1 44 ILE CD1 0.000 . 5.780 4.526 2.828 5.782 0.002 14 0 "[ . 1 . 2 . 3]" 1
534 1 32 ARG HG3 1 44 ILE CD1 0.000 . 5.780 3.928 2.401 5.467 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 33 ARG CB 1 33 ARG H 0.000 . 2.940 2.528 2.487 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 33 ARG CB 1 34 GLU H 0.000 . 3.520 3.307 3.031 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 33 ARG CG 1 34 GLU H 0.000 . 5.940 4.671 4.119 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 33 ARG H 1 33 ARG HB2 0.000 . 3.140 2.181 2.043 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 33 ARG H 1 33 ARG HB3 0.000 . 3.140 2.927 2.499 3.166 0.026 3 0 "[ . 1 . 2 . 3]" 1
540 1 33 ARG H 1 34 GLU H 0.000 . 3.420 2.316 2.249 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 33 ARG H 1 35 LEU H 0.000 . 4.510 3.866 3.691 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 33 ARG HA 1 33 ARG HG2 0.000 . 4.140 2.705 1.954 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 33 ARG HA 1 33 ARG HG3 0.000 . 4.140 2.527 1.927 3.490 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 33 ARG HB2 1 34 GLU H 0.000 . 3.730 3.627 3.417 3.774 0.044 14 0 "[ . 1 . 2 . 3]" 1
545 1 33 ARG HB3 1 34 GLU H 0.000 . 3.730 3.116 2.514 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 34 GLU CB 1 34 GLU H 0.000 . 3.410 2.537 2.475 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 34 GLU CB 1 35 LEU H 0.000 . 3.730 3.298 3.279 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 34 GLU CB 2 11 LYS CD 0.000 . 7.250 6.176 5.165 6.785 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 34 GLU CB 2 15 VAL CB 0.000 . 8.960 6.468 5.771 7.173 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 34 GLU CG 1 34 GLU H 0.000 . 4.040 3.062 2.582 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 34 GLU H 1 34 GLU HB2 0.000 . 3.640 2.412 2.011 3.663 0.023 16 0 "[ . 1 . 2 . 3]" 1
552 1 34 GLU H 1 34 GLU HB3 0.000 . 3.640 3.389 2.556 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 34 GLU H 1 34 GLU HG2 0.000 . 4.230 2.973 1.899 4.220 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 34 GLU H 1 34 GLU HG3 0.000 . 4.230 3.447 2.112 4.247 0.017 4 0 "[ . 1 . 2 . 3]" 1
555 1 34 GLU H 1 35 LEU H 0.000 . 3.270 2.304 2.101 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 34 GLU HB2 1 35 LEU H 0.000 . 3.980 3.147 2.904 4.069 0.089 24 0 "[ . 1 . 2 . 3]" 1
557 1 34 GLU HB3 1 35 LEU H 0.000 . 3.980 3.803 3.465 3.994 0.014 18 0 "[ . 1 . 2 . 3]" 1
558 1 35 LEU CB 1 35 LEU H 0.000 . 3.170 2.694 2.576 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 35 LEU CB 1 36 PRO CD 0.000 . 6.130 3.537 3.243 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 35 LEU CB 1 39 GLN H 0.000 . 5.140 5.175 5.066 5.215 0.075 15 0 "[ . 1 . 2 . 3]" 1
561 1 35 LEU CB 1 40 ALA CB 0.000 . 5.230 4.569 3.665 5.224 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 35 LEU CB 1 40 ALA H 0.000 . 6.380 3.891 3.369 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 35 LEU CB 2 19 VAL CB 0.000 . 8.960 6.921 6.599 7.459 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 35 LEU CD1 1 36 PRO HD2 0.000 . 8.740 4.653 4.207 5.042 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 35 LEU CD1 1 36 PRO HD3 0.000 . 8.740 5.497 4.927 6.202 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 35 LEU CD1 2 15 VAL CG1 0.000 . 9.110 5.394 4.435 6.129 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 35 LEU CD1 2 15 VAL CG2 0.000 . 9.110 6.013 4.662 6.792 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 35 LEU CD1 2 15 VAL HA 0.000 . 6.530 4.793 3.672 5.564 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 35 LEU CD1 2 18 VAL CG1 0.000 . 7.560 3.821 3.237 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 35 LEU CD1 2 18 VAL CG2 0.000 . 7.560 5.159 4.500 5.802 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 35 LEU CD1 2 19 VAL CG1 0.000 . 9.250 7.660 7.169 8.525 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 35 LEU CD1 2 19 VAL CG2 0.000 . 9.250 5.550 4.986 6.358 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 35 LEU CD2 1 36 PRO HD2 0.000 . 8.740 2.665 2.333 3.160 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 35 LEU CD2 1 36 PRO HD3 0.000 . 8.740 3.611 2.773 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 35 LEU CD2 2 15 VAL CG1 0.000 . 9.110 4.134 3.581 5.123 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 35 LEU CD2 2 15 VAL CG2 0.000 . 9.110 5.701 4.773 6.543 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 35 LEU CD2 2 15 VAL HA 0.000 . 6.530 4.397 3.833 5.279 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 35 LEU CD2 2 18 VAL CG1 0.000 . 7.560 4.233 3.434 5.040 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 35 LEU CD2 2 18 VAL CG2 0.000 . 7.560 5.633 5.123 6.062 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 35 LEU CD2 2 19 VAL CG1 0.000 . 9.250 5.456 4.941 6.082 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 35 LEU CD2 2 19 VAL CG2 0.000 . 9.250 3.362 2.829 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 35 LEU CG 1 36 PRO CD 0.000 . 6.560 3.994 3.679 4.220 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 35 LEU CG 1 40 ALA H 0.000 . 7.570 5.034 4.603 5.438 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 35 LEU CG 1 40 ALA HA 0.000 . 6.390 4.976 4.028 5.748 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 35 LEU CG 1 43 CYS HG 0.000 . 7.630 5.526 4.284 6.691 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 35 LEU CG 2 15 VAL CB 0.000 . 7.510 5.296 4.654 5.795 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 35 LEU CG 2 15 VAL H 0.000 . 8.100 7.118 6.593 7.712 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 35 LEU CG 2 15 VAL HA 0.000 . 5.530 4.522 3.901 5.053 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 35 LEU CG 2 15 VAL HB 0.000 . 8.100 6.287 5.609 6.745 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 35 LEU CG 2 18 VAL CB 0.000 . 6.460 5.058 4.618 5.514 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 35 LEU CG 2 18 VAL HB 0.000 . 5.210 4.380 3.837 4.755 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 35 LEU CG 2 19 VAL CB 0.000 . 6.930 6.036 5.624 6.677 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 35 LEU CG 2 19 VAL H 0.000 . 8.100 5.511 4.953 6.053 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 35 LEU CG 2 19 VAL HA 0.000 . 7.350 5.611 5.234 6.071 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 35 LEU CG 2 22 VAL CB 0.000 . 10.250 7.651 7.111 8.562 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 35 LEU H 1 35 LEU HB2 0.000 . 3.360 2.289 2.142 2.422 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 35 LEU H 1 35 LEU HB3 0.000 . 3.360 3.451 3.366 3.504 0.144 12 0 "[ . 1 . 2 . 3]" 1
598 1 35 LEU H 1 35 LEU HG 0.000 . 4.010 3.662 3.254 4.035 0.025 4 0 "[ . 1 . 2 . 3]" 1
599 1 35 LEU H 1 36 PRO CD 0.000 . 6.380 4.935 4.895 4.980 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 35 LEU H 1 40 ALA CB 0.000 . 6.280 4.830 3.714 5.422 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 35 LEU HA 1 36 PRO HD2 0.000 . 3.920 2.597 2.098 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 35 LEU HA 1 36 PRO HD3 0.000 . 3.920 2.213 1.987 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 35 LEU HA 2 15 VAL CB 0.000 . 5.920 5.096 4.573 5.522 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 35 LEU HA 2 15 VAL CG1 0.000 . 6.530 3.814 3.328 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 35 LEU HA 2 15 VAL CG2 0.000 . 6.530 5.184 4.701 5.644 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 35 LEU HA 2 19 VAL CB 0.000 . 7.840 6.514 6.149 6.975 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 35 LEU HB2 1 36 PRO HD2 0.000 . 7.250 4.162 3.845 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 35 LEU HB2 1 36 PRO HD3 0.000 . 7.250 4.773 4.371 5.263 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 35 LEU HB3 1 36 PRO HD2 0.000 . 7.250 2.728 2.201 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 35 LEU HB3 1 36 PRO HD3 0.000 . 7.250 3.790 3.216 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 35 LEU HG 2 15 VAL CB 0.000 . 8.090 4.476 3.738 5.176 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 35 LEU HG 2 18 VAL CB 0.000 . 8.090 5.178 4.661 5.779 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 35 LEU HG 2 19 VAL CB 0.000 . 8.090 6.260 5.334 7.128 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 36 PRO CD 1 39 GLN H 0.000 . 6.380 4.165 3.973 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 36 PRO CD 2 15 VAL CB 0.000 . 7.810 6.372 5.740 6.763 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 36 PRO CD 2 19 VAL CB 0.000 . 6.140 5.549 5.197 5.990 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 36 PRO CG 2 15 VAL CB 0.000 . 7.510 7.337 6.530 7.538 0.028 1 0 "[ . 1 . 2 . 3]" 1
618 1 36 PRO CG 2 19 VAL CB 0.000 . 5.700 5.583 5.285 5.711 0.011 26 0 "[ . 1 . 2 . 3]" 1
619 1 36 PRO HD2 2 15 VAL CG1 0.000 . 9.650 4.756 3.890 5.547 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 36 PRO HD2 2 15 VAL CG2 0.000 . 9.650 6.837 5.863 7.637 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 36 PRO HD2 2 19 VAL CG1 0.000 . 8.280 5.043 4.635 5.592 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 36 PRO HD2 2 19 VAL CG2 0.000 . 8.280 3.643 3.097 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 36 PRO HD3 2 15 VAL CG1 0.000 . 9.650 4.059 3.238 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 36 PRO HD3 2 15 VAL CG2 0.000 . 9.650 6.131 5.466 6.636 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 36 PRO HD3 2 19 VAL CG1 0.000 . 8.280 5.713 5.123 6.369 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 36 PRO HD3 2 19 VAL CG2 0.000 . 8.280 4.197 3.730 5.026 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 36 PRO HG2 2 15 VAL CG1 0.000 . 9.250 6.024 5.216 6.378 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 36 PRO HG2 2 15 VAL CG2 0.000 . 9.250 8.366 7.691 8.767 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 36 PRO HG2 2 19 VAL CG1 0.000 . 6.530 4.351 3.811 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 36 PRO HG2 2 19 VAL CG2 0.000 . 6.530 4.055 3.385 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 36 PRO HG3 2 15 VAL CG1 0.000 . 9.250 5.672 4.839 5.991 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 36 PRO HG3 2 15 VAL CG2 0.000 . 9.250 7.947 7.174 8.417 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 36 PRO HG3 2 19 VAL CG1 0.000 . 6.530 5.320 4.345 5.897 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 36 PRO HG3 2 19 VAL CG2 0.000 . 6.530 4.773 4.225 5.339 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 37 PRO CB 1 38 ASP H 0.000 . 4.100 3.013 2.875 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 37 PRO HA 1 40 ALA CB 0.000 . 4.480 3.631 3.340 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 37 PRO HA 1 40 ALA H 0.000 . 4.170 3.703 3.512 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 37 PRO HA 1 41 GLN H 0.000 . 5.500 4.033 3.678 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 37 PRO HB2 1 38 ASP H 0.000 . 4.480 2.971 2.547 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 37 PRO HB3 1 38 ASP H 0.000 . 4.480 4.051 3.945 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 38 ASP CB 1 39 GLN H 0.000 . 4.330 2.974 2.914 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 38 ASP CB 1 39 GLN NE2 0.000 . 7.240 4.747 3.491 6.003 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 38 ASP H 1 38 ASP HB2 0.000 . 4.070 2.287 1.932 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 38 ASP H 1 38 ASP HB3 0.000 . 4.070 3.118 2.351 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 38 ASP H 1 39 GLN H 0.000 . 4.690 2.742 2.685 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 38 ASP HA 1 41 GLN CG 0.000 . 6.380 5.191 4.850 5.392 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 38 ASP HA 1 41 GLN H 0.000 . 5.500 3.894 3.730 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 38 ASP HA 1 41 GLN HB2 0.000 . 4.110 3.735 3.057 4.121 0.011 8 0 "[ . 1 . 2 . 3]" 1
649 1 38 ASP HA 1 41 GLN HB3 0.000 . 4.110 3.519 3.043 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 38 ASP HB2 1 39 GLN H 0.000 . 4.480 3.053 2.385 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 38 ASP HB3 1 39 GLN H 0.000 . 4.480 3.049 2.373 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 39 GLN CB 1 39 GLN H 0.000 . 3.360 2.462 2.455 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 39 GLN CB 1 40 ALA H 0.000 . 3.650 3.002 2.940 3.065 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 39 GLN CB 2 19 VAL CB 0.000 . 6.170 5.445 4.936 6.160 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 39 GLN CB 2 19 VAL HA 0.000 . 5.140 4.300 3.807 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 39 GLN CB 2 22 VAL CB 0.000 . 6.520 5.425 5.010 5.947 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 39 GLN CG 2 19 VAL CB 0.000 . 5.540 4.341 3.821 5.059 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 39 GLN CG 2 19 VAL HA 0.000 . 5.290 3.189 2.479 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 39 GLN CG 2 22 VAL CB 0.000 . 6.470 4.692 3.967 5.606 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 39 GLN H 1 39 GLN HB2 0.000 . 3.670 2.118 1.943 2.474 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 39 GLN H 1 39 GLN HB3 0.000 . 3.670 3.393 3.029 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 39 GLN H 1 40 ALA H 0.000 . 3.300 2.649 2.609 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 39 GLN H 1 41 GLN H 0.000 . 4.350 4.320 4.178 4.372 0.022 17 0 "[ . 1 . 2 . 3]" 1
664 1 39 GLN H 2 22 VAL CB 0.000 . 8.090 7.105 6.548 7.592 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 39 GLN HA 1 42 TYR CB 0.000 . 5.790 3.768 3.495 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 39 GLN HA 2 22 VAL CB 0.000 . 5.400 4.597 4.194 5.152 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 39 GLN HA 2 22 VAL CG1 0.000 . 6.250 3.754 3.247 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 39 GLN HA 2 22 VAL CG2 0.000 . 6.250 4.860 4.170 5.523 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 39 GLN HB2 1 40 ALA H 0.000 . 3.890 2.750 2.423 3.283 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 39 GLN HB2 2 19 VAL CG1 0.000 . 6.530 5.623 4.948 6.431 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 39 GLN HB2 2 19 VAL CG2 0.000 . 6.530 4.773 4.314 5.617 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 39 GLN HB2 2 19 VAL HA 0.000 . 5.500 4.871 4.417 5.303 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 39 GLN HB2 2 22 VAL CG1 0.000 . 8.130 6.096 5.455 6.583 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 39 GLN HB2 2 22 VAL CG2 0.000 . 8.130 6.403 5.949 7.057 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 39 GLN HB3 1 40 ALA H 0.000 . 3.890 3.225 2.674 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 39 GLN HB3 2 19 VAL CG1 0.000 . 6.530 5.749 4.848 6.557 0.027 17 0 "[ . 1 . 2 . 3]" 1
677 1 39 GLN HB3 2 19 VAL CG2 0.000 . 6.530 4.636 3.972 5.945 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 39 GLN HB3 2 19 VAL HA 0.000 . 5.500 4.205 3.304 5.322 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 39 GLN HB3 2 22 VAL CG1 0.000 . 8.130 5.197 4.291 6.250 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 39 GLN HB3 2 22 VAL CG2 0.000 . 8.130 5.064 4.457 5.921 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 39 GLN HE21 2 19 VAL CG1 0.000 . 8.870 4.065 2.668 6.016 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 39 GLN HE21 2 19 VAL CG2 0.000 . 8.870 4.915 3.300 6.410 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 39 GLN HE21 2 22 VAL CG1 0.000 . 8.660 4.237 2.763 6.163 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 39 GLN HE21 2 22 VAL CG2 0.000 . 8.660 5.336 3.186 7.312 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 39 GLN HE22 2 19 VAL CG1 0.000 . 8.870 4.246 2.342 5.746 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 39 GLN HE22 2 19 VAL CG2 0.000 . 8.870 5.447 2.791 6.565 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 39 GLN HE22 2 22 VAL CG1 0.000 . 8.660 4.608 2.476 6.285 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 39 GLN HE22 2 22 VAL CG2 0.000 . 8.660 5.941 3.436 7.931 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 39 GLN HG2 2 19 VAL CG1 0.000 . 6.220 3.930 2.762 5.601 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 39 GLN HG2 2 19 VAL CG2 0.000 . 6.220 3.468 2.512 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 39 GLN HG2 2 19 VAL HA 0.000 . 5.500 3.101 2.006 4.750 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 39 GLN HG2 2 22 VAL CG1 0.000 . 8.250 5.210 3.649 6.326 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 39 GLN HG2 2 22 VAL CG2 0.000 . 8.250 5.384 3.436 6.937 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 39 GLN HG3 2 19 VAL CG1 0.000 . 6.220 4.263 3.017 5.188 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 39 GLN HG3 2 19 VAL CG2 0.000 . 6.220 3.979 2.615 5.370 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 39 GLN HG3 2 19 VAL HA 0.000 . 5.500 2.939 2.273 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 39 GLN HG3 2 22 VAL CG1 0.000 . 8.250 4.098 2.655 6.120 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 39 GLN HG3 2 22 VAL CG2 0.000 . 8.250 4.373 3.108 6.562 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 39 GLN NE2 2 19 VAL CB 0.000 . 7.230 4.687 3.586 5.993 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 39 GLN NE2 2 22 VAL CB 0.000 . 7.040 4.613 3.145 6.205 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 40 ALA CB 1 41 GLN H 0.000 . 4.140 2.941 2.882 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 40 ALA CB 1 42 TYR H 0.000 . 6.530 5.196 5.031 5.331 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 40 ALA CB 1 43 CYS H 0.000 . 6.530 5.299 5.112 5.402 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 40 ALA CB 1 44 ILE CD1 0.000 . 6.220 4.611 3.450 5.798 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 40 ALA H 1 41 GLN H 0.000 . 3.420 2.824 2.680 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 40 ALA HA 1 43 CYS H 0.000 . 4.350 3.720 3.508 3.870 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 41 GLN CG 1 42 TYR H 0.000 . 6.380 4.115 3.871 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 41 GLN H 1 41 GLN HB2 0.000 . 3.140 2.191 1.963 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 41 GLN H 1 41 GLN HB3 0.000 . 3.140 2.714 2.461 3.060 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 41 GLN H 1 42 TYR H 0.000 . 3.480 2.788 2.699 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 41 GLN H 1 43 CYS H 0.000 . 5.190 4.296 4.169 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 41 GLN H 1 44 ILE CD1 0.000 . 6.530 5.404 4.256 6.574 0.044 24 0 "[ . 1 . 2 . 3]" 1
713 1 41 GLN HA 1 44 ILE CD1 0.000 . 6.500 4.063 2.966 5.419 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 41 GLN HA 1 44 ILE CG2 0.000 . 5.500 4.594 4.295 5.084 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 41 GLN HA 1 44 ILE H 0.000 . 3.830 3.811 3.596 3.872 0.042 16 0 "[ . 1 . 2 . 3]" 1
716 1 41 GLN HA 1 44 ILE HB 0.000 . 3.360 2.832 2.570 3.096 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 41 GLN HB2 1 42 TYR H 0.000 . 3.760 3.567 3.197 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 41 GLN HB3 1 42 TYR H 0.000 . 3.760 2.407 2.305 2.667 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 42 TYR CB 2 22 VAL CG1 0.000 . 7.400 3.944 3.372 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 42 TYR CB 2 22 VAL CG2 0.000 . 7.400 5.556 4.761 6.585 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 42 TYR CG 1 43 CYS H 0.000 . 7.640 4.308 3.719 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 42 TYR CG 1 43 CYS HA 0.000 . 7.640 5.432 4.429 5.941 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 42 TYR CG 2 22 VAL CB 0.000 . 7.420 5.527 4.928 6.390 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 42 TYR CG 2 22 VAL CG1 0.000 . 7.740 4.080 3.433 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 42 TYR CG 2 22 VAL CG2 0.000 . 7.740 5.992 5.161 7.059 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 42 TYR CG 2 22 VAL HA 0.000 . 7.640 5.814 4.928 6.805 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 42 TYR CG 2 25 ALA CB 0.000 . 8.670 6.830 5.873 8.165 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 42 TYR CG 2 26 ARG CD 0.000 . 8.520 6.306 4.909 7.645 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 42 TYR CG 2 26 ARG HA 0.000 . 7.640 6.434 5.332 7.361 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 42 TYR CG 2 26 ARG HG2 0.000 . 7.640 6.629 4.747 7.542 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 42 TYR CG 2 26 ARG HG3 0.000 . 7.640 5.768 4.193 7.632 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 42 TYR CZ 1 46 ARG CD 0.000 . 8.510 6.430 4.072 8.042 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 42 TYR CZ 1 65 PHE CZ 0.000 . 9.750 6.797 4.745 8.179 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 42 TYR CZ 1 65 PHE HZ 0.000 . 7.290 5.990 4.045 7.178 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 42 TYR CZ 1 69 LEU CG 0.000 . 10.230 8.701 6.166 10.083 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 42 TYR CZ 2 22 VAL CG1 0.000 . 8.660 5.538 4.664 6.362 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 42 TYR CZ 2 22 VAL CG2 0.000 . 8.660 7.558 6.353 8.604 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 42 TYR CZ 2 25 ALA CB 0.000 . 8.380 5.661 3.914 7.621 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 42 TYR CZ 2 26 ARG HA 0.000 . 7.630 4.356 3.280 5.434 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 42 TYR H 1 43 CYS H 0.000 . 3.420 2.747 2.688 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 42 TYR H 1 43 CYS HG 0.000 . 5.280 4.848 4.241 5.266 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 42 TYR H 1 44 ILE H 0.000 . 5.070 4.319 4.148 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 42 TYR H 2 22 VAL CB 0.000 . 8.090 6.982 6.347 7.680 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 43 CYS CB 1 43 CYS H 0.000 . 3.470 2.459 2.449 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 43 CYS CB 1 44 ILE CD1 0.000 . 6.130 5.874 5.048 6.165 0.035 16 0 "[ . 1 . 2 . 3]" 1
746 1 43 CYS CB 1 44 ILE H 0.000 . 3.890 2.915 2.844 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 43 CYS CB 1 47 MET CE 0.000 . 4.730 4.350 3.995 4.751 0.021 24 0 "[ . 1 . 2 . 3]" 1
748 1 43 CYS H 1 43 CYS HB2 0.000 . 3.670 2.354 2.090 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 43 CYS H 1 43 CYS HB3 0.000 . 3.670 3.515 3.448 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 43 CYS H 1 43 CYS HG 0.000 . 3.700 2.596 2.097 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 43 CYS H 1 44 ILE CG1 0.000 . 6.380 5.358 5.008 5.954 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 43 CYS H 1 44 ILE H 0.000 . 3.790 2.776 2.704 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 43 CYS H 1 45 LYS H 0.000 . 4.200 3.984 3.761 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 43 CYS H 1 46 ARG H 0.000 . 5.470 4.976 4.709 5.347 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 43 CYS H 2 22 VAL CB 0.000 . 8.090 6.007 5.518 6.556 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 43 CYS HA 1 46 ARG H 0.000 . 4.200 3.401 2.968 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 43 CYS HA 1 47 MET CE 0.000 . 6.250 4.576 3.826 5.476 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 43 CYS HA 1 47 MET H 0.000 . 4.230 3.757 3.351 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 43 CYS HB2 1 44 ILE H 0.000 . 4.170 2.409 2.256 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 43 CYS HB2 1 47 MET CE 0.000 . 5.040 4.951 4.738 5.051 0.011 30 0 "[ . 1 . 2 . 3]" 1
761 1 43 CYS HB3 1 44 ILE H 0.000 . 4.170 3.422 3.048 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 43 CYS HB3 1 47 MET CE 0.000 . 5.040 3.377 3.043 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 43 CYS HG 2 22 VAL CB 0.000 . 5.870 4.591 3.942 5.539 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 43 CYS HG 2 22 VAL CG1 0.000 . 6.370 4.317 3.515 5.579 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 43 CYS HG 2 22 VAL CG2 0.000 . 6.370 3.676 2.853 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 44 ILE CD1 1 44 ILE H 0.000 . 5.410 3.692 3.148 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 44 ILE CD1 1 45 LYS H 0.000 . 6.530 5.483 5.302 5.742 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 44 ILE CG1 1 44 ILE H 0.000 . 4.130 2.772 2.553 3.156 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 44 ILE CG2 1 45 LYS H 0.000 . 4.980 4.119 3.835 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 44 ILE CG2 1 45 LYS HA 0.000 . 5.500 4.488 4.188 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 44 ILE H 1 44 ILE HB 0.000 . 3.140 2.295 2.039 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 44 ILE H 1 44 ILE HG12 0.000 . 4.450 3.332 1.900 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 44 ILE H 1 44 ILE HG13 0.000 . 4.450 2.490 1.874 3.419 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 44 ILE H 1 45 LYS H 0.000 . 3.450 2.721 2.549 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 44 ILE H 1 46 ARG H 0.000 . 4.540 4.313 4.088 4.548 0.008 1 0 "[ . 1 . 2 . 3]" 1
776 1 44 ILE HA 1 60 LEU CG 0.000 . 6.700 5.049 4.612 5.730 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 44 ILE HB 1 45 LYS H 0.000 . 3.140 2.986 2.729 3.182 0.042 10 0 "[ . 1 . 2 . 3]" 1
778 1 45 LYS CB 1 46 ARG CG 0.000 . 5.500 5.053 4.762 5.491 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 45 LYS CB 1 46 ARG H 0.000 . 3.730 3.201 2.969 3.430 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 45 LYS H 1 45 LYS HB2 0.000 . 3.050 2.212 1.985 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 45 LYS H 1 45 LYS HB3 0.000 . 3.050 2.797 2.414 3.101 0.051 10 0 "[ . 1 . 2 . 3]" 1
782 1 45 LYS H 1 45 LYS HG2 0.000 . 5.440 4.368 3.916 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 45 LYS H 1 45 LYS HG3 0.000 . 5.440 4.232 3.905 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 45 LYS H 1 46 ARG H 0.000 . 3.300 2.438 2.368 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 45 LYS H 1 47 MET H 0.000 . 4.760 4.628 4.227 4.830 0.070 9 0 "[ . 1 . 2 . 3]" 1
786 1 45 LYS HA 1 45 LYS HD2 0.000 . 5.380 4.017 2.456 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 45 LYS HA 1 45 LYS HD3 0.000 . 5.380 3.993 2.759 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 45 LYS HB2 1 46 ARG H 0.000 . 4.040 3.641 3.266 4.076 0.036 7 0 "[ . 1 . 2 . 3]" 1
789 1 45 LYS HB2 1 46 ARG HG2 0.000 . 6.630 5.254 4.101 6.660 0.030 12 0 "[ . 1 . 2 . 3]" 1
790 1 45 LYS HB2 1 46 ARG HG3 0.000 . 6.630 6.022 4.886 6.662 0.032 10 0 "[ . 1 . 2 . 3]" 1
791 1 45 LYS HB3 1 46 ARG H 0.000 . 4.040 2.895 2.428 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 45 LYS HB3 1 46 ARG HG2 0.000 . 6.630 3.796 2.869 5.346 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 45 LYS HB3 1 46 ARG HG3 0.000 . 6.630 4.593 3.286 5.283 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 46 ARG CB 1 46 ARG H 0.000 . 3.360 2.527 2.450 2.686 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 46 ARG CB 1 65 PHE HZ 0.000 . 4.940 4.785 4.257 5.019 0.079 24 0 "[ . 1 . 2 . 3]" 1
796 1 46 ARG CD 1 46 ARG HA 0.000 . 4.700 2.895 2.341 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 46 ARG H 1 46 ARG HB2 0.000 . 3.610 2.209 2.020 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 46 ARG H 1 46 ARG HB3 0.000 . 3.610 3.488 3.304 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 46 ARG H 1 46 ARG HG2 0.000 . 4.630 3.132 2.048 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 46 ARG H 1 46 ARG HG3 0.000 . 4.630 3.662 2.995 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 46 ARG H 1 47 MET H 0.000 . 3.110 2.769 2.211 3.146 0.036 3 0 "[ . 1 . 2 . 3]" 1
802 1 46 ARG HA 1 46 ARG HD2 0.000 . 5.000 3.163 1.948 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 46 ARG HA 1 46 ARG HD3 0.000 . 5.000 2.955 1.873 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 46 ARG HB2 1 65 PHE HZ 0.000 . 5.500 4.410 3.890 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 46 ARG HB3 1 65 PHE HZ 0.000 . 5.500 4.876 3.998 5.348 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 47 MET CB 1 47 MET H 0.000 . 3.120 2.494 2.445 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 47 MET CB 1 60 LEU CG 0.000 . 8.970 4.790 3.971 6.019 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 47 MET CE 1 47 MET H 0.000 . 6.530 4.023 3.454 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 47 MET CE 1 62 TYR CB 0.000 . 4.600 3.088 2.786 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 47 MET CE 1 62 TYR CG 0.000 . 8.670 4.481 4.239 4.907 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 47 MET CE 1 62 TYR H 0.000 . 4.230 4.265 4.084 4.366 0.136 27 0 "[ . 1 . 2 . 3]" 1
812 1 47 MET CE 1 62 TYR HA 0.000 . 4.850 2.603 2.449 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 47 MET CE 1 62 TYR HB2 0.000 . 4.820 3.222 2.652 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 47 MET CE 1 62 TYR HB3 0.000 . 4.820 2.447 2.317 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 47 MET CE 1 65 PHE CB 0.000 . 5.420 4.758 4.484 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 47 MET CE 1 65 PHE CG 0.000 . 6.450 5.081 4.687 5.625 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 47 MET CE 1 65 PHE H 0.000 . 5.470 5.483 5.366 5.544 0.074 27 0 "[ . 1 . 2 . 3]" 1
818 1 47 MET CE 1 65 PHE HB2 0.000 . 5.910 4.389 3.755 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 47 MET CE 1 65 PHE HB3 0.000 . 5.910 4.304 3.892 5.240 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 47 MET CG 1 47 MET H 0.000 . 4.490 3.076 2.260 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 47 MET CG 1 60 LEU CB 0.000 . 6.190 3.768 3.194 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 47 MET CG 1 60 LEU CG 0.000 . 6.190 4.791 4.172 5.606 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 47 MET CG 1 65 PHE CB 0.000 . 6.300 5.027 3.913 5.941 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 47 MET CG 1 65 PHE H 0.000 . 6.380 5.211 4.165 6.021 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 47 MET H 1 47 MET HB2 0.000 . 3.450 2.615 1.981 3.545 0.095 9 0 "[ . 1 . 2 . 3]" 1
826 1 47 MET H 1 47 MET HB3 0.000 . 3.450 3.036 2.274 3.539 0.089 24 0 "[ . 1 . 2 . 3]" 1
827 1 47 MET H 1 47 MET HG2 0.000 . 4.760 3.394 1.691 4.559 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 47 MET H 1 47 MET HG3 0.000 . 4.760 3.282 1.955 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 47 MET H 1 62 TYR HA 0.000 . 4.290 4.368 4.301 4.454 0.164 29 0 "[ . 1 . 2 . 3]" 1
830 1 47 MET H 1 65 PHE CB 0.000 . 6.380 3.853 3.020 4.933 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 47 MET HA 1 48 PRO CD 0.000 . 3.760 2.428 2.339 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 47 MET HA 1 48 PRO HD2 0.000 . 4.040 2.130 1.866 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 47 MET HA 1 48 PRO HD3 0.000 . 4.040 2.479 1.871 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 47 MET HA 1 65 PHE CG 0.000 . 7.620 4.876 4.225 5.782 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 47 MET HA 1 65 PHE H 0.000 . 3.980 3.518 2.867 4.002 0.022 26 0 "[ . 1 . 2 . 3]" 1
836 1 47 MET HB2 1 65 PHE CG 0.000 . 7.620 5.714 4.901 7.136 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 47 MET HB3 1 65 PHE CG 0.000 . 7.620 5.933 3.557 7.397 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 47 MET HG2 1 60 LEU CD1 0.000 . 8.280 5.095 2.963 6.576 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 47 MET HG2 1 60 LEU CD2 0.000 . 8.280 5.201 4.222 7.014 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 47 MET HG2 1 60 LEU HB2 0.000 . 7.250 3.668 2.231 5.942 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 47 MET HG2 1 60 LEU HB3 0.000 . 7.250 3.001 1.831 5.203 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 47 MET HG2 1 65 PHE CG 0.000 . 7.620 6.019 3.638 7.410 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 47 MET HG2 1 65 PHE HB2 0.000 . 7.250 4.548 2.375 5.727 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 47 MET HG2 1 65 PHE HB3 0.000 . 7.250 5.284 2.556 7.262 0.012 26 0 "[ . 1 . 2 . 3]" 1
845 1 47 MET HG3 1 60 LEU CD1 0.000 . 8.280 5.404 3.290 7.533 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 47 MET HG3 1 60 LEU CD2 0.000 . 8.280 5.545 2.865 7.462 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 47 MET HG3 1 60 LEU HB2 0.000 . 7.250 4.126 2.894 5.592 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 47 MET HG3 1 60 LEU HB3 0.000 . 7.250 3.362 1.896 6.295 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 47 MET HG3 1 65 PHE CG 0.000 . 7.620 5.586 3.820 6.834 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 47 MET HG3 1 65 PHE HB2 0.000 . 7.250 4.073 2.220 5.327 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 47 MET HG3 1 65 PHE HB3 0.000 . 7.250 4.744 2.658 6.732 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 48 PRO CD 1 64 ALA CB 0.000 . 5.950 3.410 2.932 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 48 PRO HA 1 49 ALA CB 0.000 . 5.940 4.936 4.726 5.079 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 48 PRO HA 1 49 ALA H 0.000 . 2.990 2.823 2.469 2.992 0.002 4 0 "[ . 1 . 2 . 3]" 1
855 1 48 PRO HB2 1 49 ALA CB 0.000 . 5.690 4.411 4.135 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 48 PRO HB2 1 49 ALA H 0.000 . 3.610 2.074 1.835 3.129 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 48 PRO HB3 1 49 ALA CB 0.000 . 5.690 5.411 4.932 5.694 0.004 18 0 "[ . 1 . 2 . 3]" 1
858 1 48 PRO HB3 1 49 ALA H 0.000 . 3.610 2.929 2.459 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 48 PRO HD2 1 64 ALA CB 0.000 . 6.530 2.812 2.336 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 48 PRO HD3 1 64 ALA CB 0.000 . 6.530 3.557 2.639 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 48 PRO HG2 1 64 ALA CB 0.000 . 4.820 3.160 2.347 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 48 PRO HG3 1 64 ALA CB 0.000 . 4.820 3.539 2.540 4.627 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 49 ALA CB 1 60 LEU CG 0.000 . 9.060 6.570 4.788 8.005 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 49 ALA HA 1 50 TYR H 0.000 . 3.020 2.296 2.195 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 49 ALA HA 1 60 LEU CG 0.000 . 5.990 4.522 2.909 5.890 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 49 ALA HA 1 60 LEU HA 0.000 . 3.640 3.023 2.432 3.646 0.006 13 0 "[ . 1 . 2 . 3]" 1
867 1 49 ALA HA 1 61 ASP H 0.000 . 4.200 4.122 3.704 4.274 0.074 29 0 "[ . 1 . 2 . 3]" 1
868 1 50 TYR CB 1 59 ALA CB 0.000 . 5.820 4.105 3.555 5.289 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 50 TYR H 1 50 TYR HB2 0.000 . 3.920 3.089 2.539 3.939 0.019 14 0 "[ . 1 . 2 . 3]" 1
870 1 50 TYR H 1 50 TYR HB3 0.000 . 3.920 2.387 2.116 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 50 TYR H 1 59 ALA CB 0.000 . 5.880 4.930 3.881 5.894 0.014 26 0 "[ . 1 . 2 . 3]" 1
872 1 50 TYR H 1 60 LEU CD1 0.000 . 6.530 5.699 3.763 6.566 0.036 29 0 "[ . 1 . 2 . 3]" 1
873 1 50 TYR H 1 60 LEU CD2 0.000 . 6.530 4.945 4.021 6.382 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 50 TYR H 1 60 LEU CG 0.000 . 6.190 4.901 4.506 5.599 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 50 TYR H 1 60 LEU HA 0.000 . 3.640 2.472 1.890 3.066 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 50 TYR H 1 61 ASP CB 0.000 . 6.380 4.777 3.442 5.349 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 50 TYR H 1 61 ASP H 0.000 . 4.200 3.462 2.043 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 50 TYR HA 1 61 ASP CB 0.000 . 6.380 3.312 2.442 5.411 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 50 TYR HA 1 61 ASP H 0.000 . 4.420 3.702 2.786 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 50 TYR HB2 1 59 ALA CB 0.000 . 6.160 4.095 3.152 5.621 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 50 TYR HB2 1 61 ASP H 0.000 . 5.500 4.471 3.043 5.546 0.046 22 0 "[ . 1 . 2 . 3]" 1
882 1 50 TYR HB3 1 59 ALA CB 0.000 . 6.160 3.513 2.578 6.244 0.084 22 0 "[ . 1 . 2 . 3]" 1
883 1 50 TYR HB3 1 61 ASP H 0.000 . 5.500 4.659 3.498 5.505 0.005 18 0 "[ . 1 . 2 . 3]" 1
884 1 50 TYR QD 1 55 SER CB 0.000 . 5.110 2.915 2.294 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 50 TYR QD 1 55 SER H 0.000 . 5.500 4.688 2.067 5.444 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 50 TYR QD 1 55 SER HA 0.000 . 4.170 3.575 2.371 4.292 0.122 7 0 "[ . 1 . 2 . 3]" 1
887 1 50 TYR QD 1 55 SER HB2 0.000 . 5.500 2.886 1.871 4.679 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 50 TYR QD 1 55 SER HB3 0.000 . 5.500 2.852 1.800 5.251 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 50 TYR QD 1 56 VAL H 0.000 . 5.500 3.715 2.478 4.796 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 50 TYR QD 1 59 ALA CB 0.000 . 5.010 3.466 2.814 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 50 TYR QD 1 61 ASP CB 0.000 . 6.380 4.926 3.183 6.026 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 50 TYR QE 1 55 SER CB 0.000 . 5.280 3.133 2.317 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 50 TYR QE 1 55 SER H 0.000 . 4.970 4.072 2.197 4.989 0.019 2 0 "[ . 1 . 2 . 3]" 1
894 1 50 TYR QE 1 55 SER HA 0.000 . 4.380 3.389 1.913 4.492 0.112 2 0 "[ . 1 . 2 . 3]" 1
895 1 50 TYR QE 1 55 SER HB2 0.000 . 5.500 3.021 1.760 4.713 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 50 TYR QE 1 55 SER HB3 0.000 . 5.500 3.174 1.851 5.194 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 50 TYR QE 1 56 VAL CB 0.000 . 7.560 6.362 4.351 7.517 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 50 TYR QE 1 56 VAL H 0.000 . 5.500 4.170 2.025 5.219 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 50 TYR QE 1 59 ALA CB 0.000 . 5.380 4.973 4.140 5.343 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 51 SER HA 1 51 SER HB2 0.000 . 2.900 2.776 2.290 2.973 0.073 7 0 "[ . 1 . 2 . 3]" 1
901 1 51 SER HA 1 51 SER HB3 0.000 . 2.900 2.748 2.276 2.932 0.032 9 0 "[ . 1 . 2 . 3]" 1
902 1 55 SER H 1 55 SER HA 0.000 . 2.520 2.604 2.320 2.811 0.291 18 0 "[ . 1 . 2 . 3]" 1
903 1 55 SER H 1 55 SER HB2 0.000 . 3.480 3.056 1.922 3.680 0.200 29 0 "[ . 1 . 2 . 3]" 1
904 1 55 SER H 1 55 SER HB3 0.000 . 3.480 3.172 2.344 3.707 0.227 29 0 "[ . 1 . 2 . 3]" 1
905 1 55 SER H 1 56 VAL H 0.000 . 4.420 4.507 4.262 4.630 0.210 12 0 "[ . 1 . 2 . 3]" 1
906 1 55 SER HA 1 56 VAL H 0.000 . 2.930 2.704 2.206 2.990 0.060 6 0 "[ . 1 . 2 . 3]" 1
907 1 55 SER HA 1 59 ALA CB 0.000 . 5.540 5.003 3.788 5.549 0.009 2 0 "[ . 1 . 2 . 3]" 1
908 1 55 SER HB2 1 56 VAL H 0.000 . 3.480 3.061 1.857 3.517 0.037 9 0 "[ . 1 . 2 . 3]" 1
909 1 55 SER HB3 1 56 VAL H 0.000 . 3.480 2.923 1.931 3.592 0.112 7 0 "[ . 1 . 2 . 3]" 1
910 1 56 VAL CB 1 57 PRO CD 0.000 . 5.670 3.336 2.994 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 56 VAL CB 1 59 ALA CB 0.000 . 7.440 4.819 4.279 5.577 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 56 VAL CB 1 59 ALA H 0.000 . 6.850 4.944 4.280 5.900 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 56 VAL CG1 1 57 PRO HD2 0.000 . 6.530 3.760 2.733 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 56 VAL CG1 1 57 PRO HD3 0.000 . 6.530 4.438 3.765 5.042 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 56 VAL CG2 1 57 PRO HD2 0.000 . 6.530 4.012 3.594 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 56 VAL CG2 1 57 PRO HD3 0.000 . 6.530 4.888 4.011 5.275 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 56 VAL H 1 59 ALA CB 0.000 . 4.080 3.371 2.770 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 56 VAL H 1 59 ALA H 0.000 . 4.230 4.102 3.616 4.267 0.037 27 0 "[ . 1 . 2 . 3]" 1
919 1 56 VAL HA 1 57 PRO CD 0.000 . 3.460 2.611 2.490 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 56 VAL HA 1 57 PRO CG 0.000 . 5.650 4.053 3.883 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 56 VAL HA 1 57 PRO HD2 0.000 . 3.700 2.660 2.256 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 56 VAL HA 1 57 PRO HD3 0.000 . 3.700 2.297 1.894 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 56 VAL HB 1 57 PRO CD 0.000 . 3.560 2.781 2.348 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 56 VAL HB 1 57 PRO HD2 0.000 . 3.890 2.105 1.849 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 56 VAL HB 1 57 PRO HD3 0.000 . 3.890 3.288 2.366 3.854 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 59 ALA HA 1 60 LEU H 0.000 . 3.020 2.240 2.205 2.383 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 60 LEU CD1 1 60 LEU H 0.000 . 5.880 3.898 2.840 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 60 LEU CD1 1 61 ASP H 0.000 . 6.530 5.188 4.066 5.736 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 60 LEU CD2 1 60 LEU H 0.000 . 5.880 3.862 2.342 4.842 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 60 LEU CD2 1 61 ASP H 0.000 . 6.530 4.792 4.166 5.538 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 60 LEU CG 1 61 ASP H 0.000 . 5.980 4.384 4.142 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 60 LEU H 1 60 LEU HG 0.000 . 5.040 3.074 1.922 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 60 LEU HA 1 61 ASP H 0.000 . 3.140 2.382 2.265 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 60 LEU HB2 1 61 ASP H 0.000 . 3.860 3.790 2.705 3.917 0.057 22 0 "[ . 1 . 2 . 3]" 1
935 1 60 LEU HB3 1 61 ASP H 0.000 . 3.860 2.842 2.720 3.923 0.063 29 0 "[ . 1 . 2 . 3]" 1
936 1 61 ASP CB 1 61 ASP H 0.000 . 3.440 2.616 2.518 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 61 ASP CB 1 64 ALA CB 0.000 . 5.770 4.601 4.082 4.938 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 61 ASP H 1 61 ASP HB2 0.000 . 3.700 2.531 2.112 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 61 ASP H 1 61 ASP HB3 0.000 . 3.700 3.151 2.207 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 61 ASP H 1 62 TYR H 0.000 . 5.500 4.296 4.222 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 61 ASP H 1 64 ALA CB 0.000 . 6.530 5.721 5.403 6.045 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 61 ASP HA 1 63 ALA H 0.000 . 4.790 3.494 3.360 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 61 ASP HB2 1 64 ALA CB 0.000 . 6.530 4.638 3.833 5.284 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 61 ASP HB2 1 64 ALA H 0.000 . 4.380 4.069 2.676 4.496 0.116 23 0 "[ . 1 . 2 . 3]" 1
945 1 61 ASP HB3 1 64 ALA CB 0.000 . 6.530 4.059 3.177 5.527 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 61 ASP HB3 1 64 ALA H 0.000 . 4.380 3.205 2.696 4.505 0.125 7 0 "[ . 1 . 2 . 3]" 1
947 1 62 TYR CG 1 63 ALA H 0.000 . 7.640 2.861 2.688 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 62 TYR CZ 1 63 ALA H 0.000 . 7.630 3.949 3.738 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 62 TYR H 1 62 TYR HB2 0.000 . 3.950 3.529 3.506 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 62 TYR H 1 62 TYR HB3 0.000 . 3.950 2.596 2.499 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 62 TYR H 1 63 ALA CB 0.000 . 6.060 4.847 4.700 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 62 TYR H 1 63 ALA H 0.000 . 3.270 2.441 2.312 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 62 TYR H 1 64 ALA H 0.000 . 4.380 4.376 4.175 4.420 0.040 6 0 "[ . 1 . 2 . 3]" 1
954 1 62 TYR HA 1 65 PHE CG 0.000 . 7.620 4.488 4.163 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 62 TYR HA 1 65 PHE HB2 0.000 . 4.200 3.234 2.371 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 62 TYR HA 1 65 PHE HB3 0.000 . 4.200 2.837 2.424 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 62 TYR HD1 1 63 ALA CB 0.000 . 6.250 3.927 3.687 4.353 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 63 ALA CB 1 64 ALA H 0.000 . 4.020 3.036 2.940 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 63 ALA CB 1 64 ALA HA 0.000 . 6.030 4.607 4.586 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 63 ALA H 1 64 ALA H 0.000 . 3.270 2.764 2.614 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 63 ALA H 1 65 PHE H 0.000 . 4.600 4.122 3.936 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 63 ALA HA 1 66 SER H 0.000 . 3.390 3.377 3.248 3.436 0.046 7 0 "[ . 1 . 2 . 3]" 1
963 1 64 ALA H 1 65 PHE H 0.000 . 3.420 2.602 2.530 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 64 ALA HA 1 65 PHE H 0.000 . 3.360 3.505 3.487 3.525 0.165 18 0 "[ . 1 . 2 . 3]" 1
965 1 64 ALA HA 1 67 SER CB 0.000 . 5.660 4.175 3.415 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 65 PHE CB 1 66 SER H 0.000 . 3.770 3.066 2.872 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 65 PHE CG 1 66 SER H 0.000 . 7.620 3.945 3.670 4.190 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 65 PHE CG 1 69 LEU CG 0.000 . 9.790 5.199 4.146 6.029 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 65 PHE CZ 1 69 LEU CG 0.000 . 10.000 4.243 3.418 5.663 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 65 PHE CZ 2 22 VAL CB 0.000 . 10.210 5.010 4.211 6.296 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 65 PHE H 1 65 PHE HB2 0.000 . 3.360 2.532 2.054 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 65 PHE H 1 65 PHE HB3 0.000 . 3.360 2.364 2.173 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 65 PHE H 1 66 SER H 0.000 . 3.700 2.608 2.519 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 65 PHE HA 1 66 SER H 0.000 . 3.610 3.557 3.520 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 65 PHE HA 1 68 ALA CB 0.000 . 5.100 3.598 3.291 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 65 PHE HA 1 68 ALA H 0.000 . 4.040 3.563 3.359 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 65 PHE HB2 1 66 SER H 0.000 . 4.010 3.893 3.367 4.025 0.015 18 0 "[ . 1 . 2 . 3]" 1
978 1 65 PHE HB3 1 66 SER H 0.000 . 4.010 2.616 2.275 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 65 PHE HZ 1 69 LEU CD1 0.000 . 6.530 4.042 2.875 5.981 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 65 PHE HZ 1 69 LEU CD2 0.000 . 6.530 4.501 3.305 5.692 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 66 SER H 1 67 SER H 0.000 . 3.670 2.797 2.625 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 66 SER H 1 68 ALA H 0.000 . 5.280 4.146 3.963 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 66 SER HA 1 69 LEU CG 0.000 . 6.700 4.214 3.100 5.269 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 66 SER HA 1 69 LEU H 0.000 . 3.920 3.628 3.427 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 66 SER HA 1 69 LEU HG 0.000 . 5.500 4.373 2.724 5.509 0.009 7 0 "[ . 1 . 2 . 3]" 1
986 1 67 SER CB 1 70 TYR H 0.000 . 5.790 5.322 5.087 5.526 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 67 SER H 1 68 ALA H 0.000 . 3.360 2.697 2.596 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 67 SER H 1 69 LEU H 0.000 . 4.790 4.187 3.994 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 67 SER HA 1 70 TYR H 0.000 . 4.040 3.717 3.476 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 68 ALA H 1 70 TYR H 0.000 . 4.850 4.261 4.001 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 68 ALA HA 1 71 GLY H 0.000 . 4.070 3.409 3.086 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 69 LEU CB 1 69 LEU H 0.000 . 3.250 2.460 2.446 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 69 LEU CB 1 70 TYR H 0.000 . 3.690 3.002 2.913 3.150 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 69 LEU CB 1 70 TYR QD 0.000 . 6.380 3.996 2.886 5.003 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 69 LEU CB 2 25 ALA CB 0.000 . 6.410 5.345 4.117 5.870 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 69 LEU CD1 1 69 LEU H 0.000 . 6.120 4.358 3.233 4.772 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 69 LEU CD1 2 21 ALA CB 0.000 . 7.560 4.822 3.585 6.694 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 69 LEU CD1 2 22 VAL CG1 0.000 . 7.560 6.597 5.642 7.574 0.014 16 0 "[ . 1 . 2 . 3]" 1
999 1 69 LEU CD1 2 22 VAL CG2 0.000 . 7.560 5.608 4.452 6.983 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 69 LEU CD1 2 22 VAL HA 0.000 . 6.530 4.133 3.289 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 69 LEU CD1 2 25 ALA CB 0.000 . 7.560 4.704 3.233 5.648 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 69 LEU CD2 1 69 LEU H 0.000 . 6.120 4.430 2.779 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 69 LEU CD2 2 21 ALA CB 0.000 . 7.560 5.342 3.357 7.495 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 69 LEU CD2 2 22 VAL CG1 0.000 . 7.560 6.894 6.042 7.526 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 69 LEU CD2 2 22 VAL CG2 0.000 . 7.560 6.210 5.188 7.412 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 69 LEU CD2 2 22 VAL HA 0.000 . 6.530 4.424 3.591 5.644 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 69 LEU CD2 2 25 ALA CB 0.000 . 7.560 4.133 2.917 6.644 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 69 LEU CG 2 21 ALA CB 0.000 . 7.070 5.573 4.662 6.805 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 69 LEU CG 2 22 VAL CB 0.000 . 7.030 6.667 5.912 7.042 0.012 20 0 "[ . 1 . 2 . 3]" 1
1010 1 69 LEU CG 2 22 VAL HA 0.000 . 5.660 4.734 3.902 5.289 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 69 LEU CG 2 25 ALA CB 0.000 . 6.640 4.612 3.892 6.087 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 69 LEU CG 2 25 ALA H 0.000 . 8.100 5.301 4.032 6.336 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 69 LEU H 1 69 LEU HB2 0.000 . 3.450 2.329 1.934 3.508 0.058 30 0 "[ . 1 . 2 . 3]" 1
1014 1 69 LEU H 1 69 LEU HB3 0.000 . 3.450 2.926 1.915 3.487 0.037 18 0 "[ . 1 . 2 . 3]" 1
1015 1 69 LEU H 1 69 LEU HG 0.000 . 3.700 3.351 2.322 3.795 0.095 23 0 "[ . 1 . 2 . 3]" 1
1016 1 69 LEU H 1 70 TYR H 0.000 . 3.390 2.695 2.502 2.805 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 69 LEU H 1 71 GLY H 0.000 . 4.720 3.805 3.532 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 69 LEU HA 2 25 ALA CB 0.000 . 6.280 4.786 3.739 5.618 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 69 LEU HB2 1 70 TYR H 0.000 . 3.860 3.259 2.542 4.016 0.156 16 0 "[ . 1 . 2 . 3]" 1
1020 1 69 LEU HB2 2 25 ALA CB 0.000 . 6.530 5.752 3.076 6.536 0.006 18 0 "[ . 1 . 2 . 3]" 1
1021 1 69 LEU HB3 1 70 TYR H 0.000 . 3.860 2.991 2.674 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 69 LEU HB3 2 25 ALA CB 0.000 . 6.530 5.703 4.646 6.467 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 70 TYR CB 1 70 TYR H 0.000 . 3.220 2.547 2.496 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 70 TYR H 1 70 TYR HB2 0.000 . 3.480 2.200 2.087 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 70 TYR H 1 70 TYR HB3 0.000 . 3.480 3.482 3.372 3.550 0.070 25 0 "[ . 1 . 2 . 3]" 1
1026 1 70 TYR H 1 71 GLY H 0.000 . 3.550 2.392 2.167 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 70 TYR QD 2 21 ALA CB 0.000 . 6.340 5.870 4.951 6.253 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 70 TYR QE 2 21 ALA CB 0.000 . 5.570 4.048 3.032 4.655 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 71 GLY H 1 72 GLU H 0.000 . 4.790 3.908 2.483 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 72 GLU H 1 72 GLU HB2 0.000 . 3.700 2.996 1.992 3.726 0.026 23 0 "[ . 1 . 2 . 3]" 1
1031 1 72 GLU H 1 72 GLU HB3 0.000 . 3.700 3.112 2.466 3.721 0.021 16 0 "[ . 1 . 2 . 3]" 1
1032 1 73 SER H 1 74 ASP H 0.000 . 4.480 3.747 1.963 4.515 0.035 6 0 "[ . 1 . 2 . 3]" 1
1033 2 10 LYS CD 2 13 GLU CB 0.000 . 7.250 6.308 4.342 7.276 0.026 16 0 "[ . 1 . 2 . 3]" 1
1034 2 10 LYS HA 2 13 GLU CB 0.000 . 4.800 3.896 3.292 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
1035 2 10 LYS HA 2 13 GLU H 0.000 . 3.890 3.566 3.237 3.896 0.006 24 0 "[ . 1 . 2 . 3]" 1
1036 2 10 LYS HA 2 13 GLU HG2 0.000 . 5.500 5.162 4.417 5.518 0.018 12 0 "[ . 1 . 2 . 3]" 1
1037 2 10 LYS HA 2 13 GLU HG3 0.000 . 5.500 4.847 3.436 5.507 0.007 1 0 "[ . 1 . 2 . 3]" 1
1038 2 11 LYS CB 2 12 ALA H 0.000 . 4.390 2.957 2.851 3.141 . 0 0 "[ . 1 . 2 . 3]" 1
1039 2 11 LYS CB 2 12 ALA HA 0.000 . 5.600 4.594 4.574 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
1040 2 11 LYS CG 2 14 ALA CB 0.000 . 7.400 5.574 5.343 5.910 . 0 0 "[ . 1 . 2 . 3]" 1
1041 2 11 LYS CG 2 15 VAL CB 0.000 . 7.060 6.537 6.273 6.856 . 0 0 "[ . 1 . 2 . 3]" 1
1042 2 11 LYS HA 2 14 ALA CB 0.000 . 4.730 3.669 3.450 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
1043 2 11 LYS HA 2 14 ALA H 0.000 . 3.520 3.436 3.335 3.522 0.002 9 0 "[ . 1 . 2 . 3]" 1
1044 2 11 LYS HG2 2 15 VAL CG1 0.000 . 8.690 6.789 6.457 7.049 . 0 0 "[ . 1 . 2 . 3]" 1
1045 2 11 LYS HG2 2 15 VAL CG2 0.000 . 8.690 4.314 3.966 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
1046 2 11 LYS HG3 2 15 VAL CG1 0.000 . 8.690 8.523 8.182 8.701 0.011 18 0 "[ . 1 . 2 . 3]" 1
1047 2 11 LYS HG3 2 15 VAL CG2 0.000 . 8.690 6.048 5.690 6.223 . 0 0 "[ . 1 . 2 . 3]" 1
1048 2 12 ALA HA 2 15 VAL CB 0.000 . 7.560 3.660 3.508 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
1049 2 12 ALA HA 2 15 VAL H 0.000 . 3.550 3.529 3.441 3.562 0.012 10 0 "[ . 1 . 2 . 3]" 1
1050 2 12 ALA HA 2 15 VAL HB 0.000 . 3.550 2.875 2.611 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
1051 2 13 GLU CB 2 14 ALA H 0.000 . 4.300 3.010 2.940 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
1052 2 13 GLU H 2 13 GLU HG2 0.000 . 4.790 4.153 3.402 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
1053 2 13 GLU H 2 13 GLU HG3 0.000 . 4.790 3.669 2.040 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
1054 2 13 GLU H 2 14 ALA H 0.000 . 3.360 2.691 2.618 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
1055 2 13 GLU HA 2 16 ALA CB 0.000 . 3.920 3.761 3.482 3.944 0.024 30 0 "[ . 1 . 2 . 3]" 1
1056 2 13 GLU HA 2 16 ALA H 0.000 . 4.140 3.573 3.431 3.704 . 0 0 "[ . 1 . 2 . 3]" 1
1057 2 13 GLU HG2 2 14 ALA H 0.000 . 5.500 4.679 3.757 5.152 . 0 0 "[ . 1 . 2 . 3]" 1
1058 2 13 GLU HG2 2 16 ALA CB 0.000 . 6.530 5.780 4.833 6.568 0.038 21 0 "[ . 1 . 2 . 3]" 1
1059 2 13 GLU HG3 2 14 ALA H 0.000 . 5.500 4.640 3.670 5.170 . 0 0 "[ . 1 . 2 . 3]" 1
1060 2 13 GLU HG3 2 16 ALA CB 0.000 . 6.530 5.805 4.765 6.560 0.030 12 0 "[ . 1 . 2 . 3]" 1
1061 2 14 ALA CB 2 18 VAL CB 0.000 . 9.120 6.561 6.250 6.975 . 0 0 "[ . 1 . 2 . 3]" 1
1062 2 14 ALA H 2 15 VAL H 0.000 . 3.050 2.694 2.637 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
1063 2 14 ALA HA 2 17 THR H 0.000 . 3.830 3.504 3.379 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
1064 2 14 ALA HA 2 17 THR HB 0.000 . 3.700 2.976 2.674 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
1065 2 15 VAL CB 2 16 ALA H 0.000 . 5.350 2.985 2.927 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
1066 2 15 VAL CG1 2 16 ALA H 0.000 . 5.880 3.879 3.641 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
1067 2 15 VAL CG2 2 16 ALA H 0.000 . 5.880 4.217 4.123 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
1068 2 15 VAL H 2 15 VAL HB 0.000 . 2.870 2.405 2.222 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
1069 2 15 VAL H 2 16 ALA H 0.000 . 3.170 2.731 2.663 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
1070 2 15 VAL HA 2 18 VAL CB 0.000 . 7.840 3.751 3.500 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
1071 2 15 VAL HA 2 18 VAL HB 0.000 . 3.920 2.854 2.609 3.163 . 0 0 "[ . 1 . 2 . 3]" 1
1072 2 15 VAL HB 2 16 ALA H 0.000 . 3.020 2.476 2.372 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
1073 2 15 VAL HB 2 19 VAL CB 0.000 . 6.600 6.469 5.985 6.607 0.007 28 0 "[ . 1 . 2 . 3]" 1
1074 2 16 ALA CB 2 19 VAL H 0.000 . 6.530 5.264 5.149 5.395 . 0 0 "[ . 1 . 2 . 3]" 1
1075 2 16 ALA H 2 17 THR H 0.000 . 3.240 2.732 2.682 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
1076 2 16 ALA HA 2 19 VAL CB 0.000 . 5.570 3.632 3.482 3.859 . 0 0 "[ . 1 . 2 . 3]" 1
1077 2 16 ALA HA 2 19 VAL CG1 0.000 . 6.190 4.527 4.302 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
1078 2 16 ALA HA 2 19 VAL CG2 0.000 . 6.190 3.776 3.388 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
1079 2 16 ALA HA 2 19 VAL H 0.000 . 4.070 3.639 3.533 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
1080 2 16 ALA HA 2 19 VAL HB 0.000 . 3.550 2.713 2.549 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
1081 2 17 THR CG2 2 18 VAL H 0.000 . 5.440 3.892 3.577 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
1082 2 17 THR H 2 17 THR HB 0.000 . 2.990 2.452 2.225 2.805 . 0 0 "[ . 1 . 2 . 3]" 1
1083 2 17 THR H 2 18 VAL H 0.000 . 3.300 2.713 2.621 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
1084 2 17 THR HA 2 20 ALA CB 0.000 . 5.010 3.869 3.586 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
1085 2 17 THR HA 2 20 ALA H 0.000 . 5.500 3.750 3.643 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
1086 2 17 THR HA 2 21 ALA H 0.000 . 5.500 4.162 3.935 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
1087 2 17 THR HB 2 18 VAL H 0.000 . 3.170 2.443 2.279 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
1088 2 18 VAL CB 2 22 VAL CB 0.000 . 10.180 6.150 5.611 6.620 . 0 0 "[ . 1 . 2 . 3]" 1
1089 2 18 VAL CG1 2 19 VAL H 0.000 . 6.340 3.863 3.693 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
1090 2 18 VAL CG2 2 19 VAL H 0.000 . 6.340 4.202 4.086 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
1091 2 18 VAL H 2 18 VAL HB 0.000 . 2.800 2.397 2.304 2.530 . 0 0 "[ . 1 . 2 . 3]" 1
1092 2 18 VAL H 2 19 VAL CB 0.000 . 7.620 5.096 5.026 5.177 . 0 0 "[ . 1 . 2 . 3]" 1
1093 2 18 VAL H 2 19 VAL H 0.000 . 3.240 2.708 2.624 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
1094 2 18 VAL HA 2 21 ALA CB 0.000 . 5.440 3.637 3.446 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
1095 2 18 VAL HA 2 21 ALA H 0.000 . 3.790 3.588 3.483 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
1096 2 18 VAL HA 2 22 VAL H 0.000 . 4.720 3.997 3.564 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
1097 2 18 VAL HB 2 19 VAL CB 0.000 . 8.090 4.616 4.537 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
1098 2 18 VAL HB 2 19 VAL H 0.000 . 3.390 2.453 2.363 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
1099 2 19 VAL CB 2 20 ALA H 0.000 . 5.770 2.917 2.856 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
1100 2 19 VAL CG1 2 20 ALA H 0.000 . 6.160 3.745 3.438 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
1101 2 19 VAL CG2 2 20 ALA H 0.000 . 6.160 4.192 4.040 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
1102 2 19 VAL H 2 19 VAL HB 0.000 . 2.930 2.385 2.208 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
1103 2 19 VAL H 2 20 ALA CB 0.000 . 6.530 5.182 5.105 5.268 . 0 0 "[ . 1 . 2 . 3]" 1
1104 2 19 VAL H 2 20 ALA H 0.000 . 3.360 2.796 2.738 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
1105 2 19 VAL HA 2 22 VAL CB 0.000 . 7.650 3.724 3.417 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
1106 2 19 VAL HA 2 22 VAL H 0.000 . 3.860 3.608 3.407 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
1107 2 19 VAL HA 2 22 VAL HB 0.000 . 3.950 2.763 2.491 3.160 . 0 0 "[ . 1 . 2 . 3]" 1
1108 2 19 VAL HB 2 20 ALA CB 0.000 . 5.290 4.584 4.455 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
1109 2 19 VAL HB 2 20 ALA H 0.000 . 3.140 2.395 2.281 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
1110 2 20 ALA CB 2 21 ALA H 0.000 . 4.260 2.997 2.918 3.145 . 0 0 "[ . 1 . 2 . 3]" 1
1111 2 20 ALA HA 2 23 ASP H 0.000 . 3.760 3.667 3.551 3.761 0.001 20 0 "[ . 1 . 2 . 3]" 1
1112 2 20 ALA HA 2 23 ASP HB2 0.000 . 4.230 3.270 2.697 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
1113 2 20 ALA HA 2 23 ASP HB3 0.000 . 4.230 3.129 2.604 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
1114 2 21 ALA H 2 22 VAL H 0.000 . 3.050 2.701 2.623 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
1115 2 21 ALA HA 2 24 GLN CB 0.000 . 4.040 3.700 3.383 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
1116 2 21 ALA HA 2 24 GLN CG 0.000 . 5.240 4.554 4.163 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
1117 2 21 ALA HA 2 24 GLN H 0.000 . 3.980 3.623 3.456 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
1118 2 21 ALA HA 2 24 GLN HB2 0.000 . 4.230 2.857 2.561 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
1119 2 21 ALA HA 2 24 GLN HB3 0.000 . 4.230 3.639 3.005 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
1120 2 21 ALA HA 2 24 GLN HG2 0.000 . 5.500 5.004 3.954 5.514 0.014 13 0 "[ . 1 . 2 . 3]" 1
1121 2 21 ALA HA 2 24 GLN HG3 0.000 . 5.500 4.870 3.592 5.530 0.030 16 0 "[ . 1 . 2 . 3]" 1
1122 2 22 VAL CB 2 23 ASP H 0.000 . 6.850 2.978 2.908 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
1123 2 22 VAL CB 2 26 ARG CB 0.000 . 8.960 6.756 6.149 7.518 . 0 0 "[ . 1 . 2 . 3]" 1
1124 2 22 VAL H 2 22 VAL HB 0.000 . 2.960 2.349 2.262 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
1125 2 22 VAL HA 2 25 ALA CB 0.000 . 5.260 4.127 3.605 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
1126 2 22 VAL HA 2 25 ALA H 0.000 . 3.860 3.630 3.343 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
1127 2 22 VAL HB 2 23 ASP H 0.000 . 3.210 2.479 2.373 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
1128 2 23 ASP CB 2 23 ASP H 0.000 . 3.020 2.459 2.456 2.466 . 0 0 "[ . 1 . 2 . 3]" 1
1129 2 23 ASP CB 2 24 GLN H 0.000 . 3.790 3.105 3.002 3.166 . 0 0 "[ . 1 . 2 . 3]" 1
1130 2 23 ASP H 2 23 ASP HB2 0.000 . 3.300 2.156 1.942 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
1131 2 23 ASP H 2 23 ASP HB3 0.000 . 3.300 2.787 2.259 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
1132 2 23 ASP H 2 24 GLN H 0.000 . 3.140 2.706 2.640 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
1133 2 23 ASP HA 2 26 ARG CB 0.000 . 5.140 3.527 3.078 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
1134 2 23 ASP HA 2 26 ARG CD 0.000 . 6.380 4.383 2.407 5.966 . 0 0 "[ . 1 . 2 . 3]" 1
1135 2 23 ASP HA 2 26 ARG H 0.000 . 3.700 3.421 3.266 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
1136 2 23 ASP HA 2 26 ARG HG2 0.000 . 5.500 4.754 1.857 5.508 0.008 15 0 "[ . 1 . 2 . 3]" 1
1137 2 23 ASP HA 2 26 ARG HG3 0.000 . 5.500 4.758 3.049 5.485 . 0 0 "[ . 1 . 2 . 3]" 1
1138 2 23 ASP HB2 2 24 GLN H 0.000 . 4.260 3.616 3.108 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
1139 2 23 ASP HB3 2 24 GLN H 0.000 . 4.260 2.726 2.475 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
1140 2 24 GLN CB 2 24 GLN H 0.000 . 2.920 2.458 2.441 2.466 . 0 0 "[ . 1 . 2 . 3]" 1
1141 2 24 GLN CB 2 25 ALA H 0.000 . 3.420 2.941 2.844 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
1142 2 24 GLN CG 2 25 ALA H 0.000 . 5.200 4.309 4.050 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
1143 2 24 GLN H 2 24 GLN HB2 0.000 . 3.110 2.016 1.912 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
1144 2 24 GLN H 2 24 GLN HB3 0.000 . 3.110 2.970 2.708 3.166 0.056 1 0 "[ . 1 . 2 . 3]" 1
1145 2 24 GLN H 2 24 GLN HG2 0.000 . 5.470 4.250 3.661 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
1146 2 24 GLN H 2 24 GLN HG3 0.000 . 5.470 4.145 3.659 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
1147 2 24 GLN H 2 25 ALA H 0.000 . 3.080 2.802 2.640 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
1148 2 24 GLN HA 2 27 VAL CB 0.000 . 4.860 3.811 3.430 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
1149 2 24 GLN HA 2 27 VAL CG1 0.000 . 5.230 4.435 2.605 5.114 . 0 0 "[ . 1 . 2 . 3]" 1
1150 2 24 GLN HA 2 27 VAL CG2 0.000 . 5.230 4.017 3.185 5.231 0.001 30 0 "[ . 1 . 2 . 3]" 1
1151 2 24 GLN HA 2 27 VAL HB 0.000 . 4.380 3.051 2.581 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
1152 2 24 GLN HB2 2 25 ALA H 0.000 . 3.610 3.327 2.994 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
1153 2 24 GLN HB3 2 25 ALA H 0.000 . 3.610 2.516 2.295 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
1154 2 24 GLN HG2 2 25 ALA H 0.000 . 5.500 4.666 4.003 5.036 . 0 0 "[ . 1 . 2 . 3]" 1
1155 2 24 GLN HG3 2 25 ALA H 0.000 . 5.500 4.779 4.003 5.196 . 0 0 "[ . 1 . 2 . 3]" 1
1156 2 25 ALA H 2 26 ARG H 0.000 . 3.080 2.702 2.609 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
1157 2 25 ALA HA 2 28 ARG H 0.000 . 4.290 3.614 3.294 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
1158 2 26 ARG CD 2 27 VAL HA 0.000 . 6.380 5.608 4.033 6.456 0.076 3 0 "[ . 1 . 2 . 3]" 1
1159 2 26 ARG CG 2 26 ARG H 0.000 . 4.130 3.723 2.455 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
1160 2 26 ARG H 2 26 ARG HG2 0.000 . 4.720 4.060 2.272 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
1161 2 26 ARG H 2 26 ARG HG3 0.000 . 4.720 4.057 1.856 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
1162 2 26 ARG H 2 27 VAL H 0.000 . 3.240 2.678 2.582 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
1163 2 27 VAL CG1 2 28 ARG H 0.000 . 6.530 3.954 2.879 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
1164 2 27 VAL CG2 2 28 ARG H 0.000 . 6.530 4.496 4.244 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
1165 2 27 VAL H 2 27 VAL HB 0.000 . 3.050 2.313 1.950 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
1166 2 27 VAL HA 2 28 ARG H 0.000 . 3.390 3.465 3.454 3.490 0.100 14 0 "[ . 1 . 2 . 3]" 1
1167 2 27 VAL HB 2 28 ARG H 0.000 . 3.830 3.171 2.861 3.873 0.043 30 0 "[ . 1 . 2 . 3]" 1
1168 2 28 ARG H 2 28 ARG HB2 0.000 . 3.890 2.562 1.993 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
1169 2 28 ARG H 2 28 ARG HB3 0.000 . 3.890 3.282 2.284 3.971 0.081 24 0 "[ . 1 . 2 . 3]" 1
1170 2 28 ARG H 2 28 ARG HG2 0.000 . 5.500 4.294 2.050 5.182 . 0 0 "[ . 1 . 2 . 3]" 1
1171 2 28 ARG H 2 28 ARG HG3 0.000 . 5.500 4.015 2.006 4.829 . 0 0 "[ . 1 . 2 . 3]" 1
1172 2 28 ARG H 2 29 GLU H 0.000 . 3.020 2.806 2.307 3.071 0.051 28 0 "[ . 1 . 2 . 3]" 1
1173 2 28 ARG HA 2 29 GLU H 0.000 . 3.110 2.984 2.531 3.485 0.375 30 0 "[ . 1 . 2 . 3]" 1
1174 2 29 GLU CB 2 29 GLU H 0.000 . 3.300 2.560 2.469 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
1175 2 29 GLU CB 2 30 PRO CD 0.000 . 5.120 3.898 3.534 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
1176 2 29 GLU CG 2 29 GLU H 0.000 . 4.720 3.735 2.528 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
1177 2 29 GLU H 2 29 GLU HB2 0.000 . 3.890 2.624 1.981 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
1178 2 29 GLU H 2 29 GLU HB3 0.000 . 3.890 2.732 2.300 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
1179 2 29 GLU H 2 29 GLU HG2 0.000 . 5.190 3.994 1.920 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
1180 2 29 GLU H 2 29 GLU HG3 0.000 . 5.190 4.135 3.328 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
1181 2 29 GLU H 2 30 PRO CD 0.000 . 5.630 4.862 4.625 5.051 . 0 0 "[ . 1 . 2 . 3]" 1
1182 2 29 GLU HB2 2 30 PRO HD2 0.000 . 5.500 4.192 2.700 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
1183 2 29 GLU HB2 2 30 PRO HD3 0.000 . 5.500 4.595 3.362 5.141 . 0 0 "[ . 1 . 2 . 3]" 1
1184 2 29 GLU HB3 2 30 PRO HD2 0.000 . 5.500 4.171 2.486 4.771 . 0 0 "[ . 1 . 2 . 3]" 1
1185 2 29 GLU HB3 2 30 PRO HD3 0.000 . 5.500 4.641 3.985 5.171 . 0 0 "[ . 1 . 2 . 3]" 1
1186 2 29 GLU HG2 2 30 PRO HD2 0.000 . 5.500 3.331 2.050 5.369 . 0 0 "[ . 1 . 2 . 3]" 1
1187 2 29 GLU HG2 2 30 PRO HD3 0.000 . 5.500 4.251 2.834 5.381 . 0 0 "[ . 1 . 2 . 3]" 1
1188 2 29 GLU HG3 2 30 PRO HD2 0.000 . 5.500 3.379 1.909 5.503 0.003 8 0 "[ . 1 . 2 . 3]" 1
1189 2 29 GLU HG3 2 30 PRO HD3 0.000 . 5.500 4.280 3.278 5.463 . 0 0 "[ . 1 . 2 . 3]" 1
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