NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
544661 |
2lq7   |
18297 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lq7
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 1106
_Distance_constraint_stats_list.Viol_count 519
_Distance_constraint_stats_list.Viol_total 532.760
_Distance_constraint_stats_list.Viol_max 0.224
_Distance_constraint_stats_list.Viol_rms 0.0102
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0513
_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 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PRO 0.067 0.024 13 0 "[ . 1 . 2]"
1 6 GLN 0.002 0.002 6 0 "[ . 1 . 2]"
1 7 ASN 0.035 0.032 10 0 "[ . 1 . 2]"
1 8 ILE 1.394 0.107 6 0 "[ . 1 . 2]"
1 9 GLN 0.011 0.011 9 0 "[ . 1 . 2]"
1 10 PHE 0.182 0.083 16 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PRO 0.094 0.052 11 0 "[ . 1 . 2]"
1 13 SER 0.005 0.005 4 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 0.001 0.001 5 0 "[ . 1 . 2]"
1 16 LEU 1.816 0.159 16 0 "[ . 1 . 2]"
1 17 GLN 1.156 0.117 8 0 "[ . 1 . 2]"
1 18 GLU 0.117 0.117 8 0 "[ . 1 . 2]"
1 19 VAL 0.844 0.090 15 0 "[ . 1 . 2]"
1 20 LEU 0.768 0.107 6 0 "[ . 1 . 2]"
1 21 ASP 0.101 0.051 5 0 "[ . 1 . 2]"
1 22 TYR 0.352 0.054 14 0 "[ . 1 . 2]"
1 23 LEU 1.957 0.138 16 0 "[ . 1 . 2]"
1 24 THR 0.194 0.045 6 0 "[ . 1 . 2]"
1 25 ASN 1.622 0.138 16 0 "[ . 1 . 2]"
1 26 SER 2.439 0.145 6 0 "[ . 1 . 2]"
1 27 ALA 0.748 0.061 5 0 "[ . 1 . 2]"
1 28 SER 0.447 0.058 6 0 "[ . 1 . 2]"
1 29 LEU 1.828 0.194 17 0 "[ . 1 . 2]"
1 30 GLN 2.362 0.194 17 0 "[ . 1 . 2]"
1 31 MET 0.547 0.095 3 0 "[ . 1 . 2]"
1 32 LYS 0.502 0.108 10 0 "[ . 1 . 2]"
1 33 SER 0.365 0.068 1 0 "[ . 1 . 2]"
1 34 PRO 0.194 0.045 6 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 0.111 0.043 8 0 "[ . 1 . 2]"
1 37 THR 0.114 0.073 16 0 "[ . 1 . 2]"
1 38 ALA 2.053 0.206 14 0 "[ . 1 . 2]"
1 39 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.164 0.070 3 0 "[ . 1 . 2]"
1 41 GLU 0.070 0.070 3 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ARG 0.135 0.121 6 0 "[ . 1 . 2]"
1 46 THR 0.135 0.121 6 0 "[ . 1 . 2]"
1 47 LEU 0.264 0.048 9 0 "[ . 1 . 2]"
1 48 TYR 2.198 0.206 14 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ARG 0.236 0.128 14 0 "[ . 1 . 2]"
1 59 THR 0.080 0.064 16 0 "[ . 1 . 2]"
1 60 ARG 0.391 0.128 14 0 "[ . 1 . 2]"
1 61 PRO 1.529 0.120 12 0 "[ . 1 . 2]"
1 62 ASN 0.586 0.224 11 0 "[ . 1 . 2]"
1 63 LEU 0.584 0.224 11 0 "[ . 1 . 2]"
1 64 SER 2.101 0.146 1 0 "[ . 1 . 2]"
1 65 LYS 1.097 0.146 1 0 "[ . 1 . 2]"
1 66 THR 0.007 0.007 8 0 "[ . 1 . 2]"
1 67 LEU 0.005 0.005 4 0 "[ . 1 . 2]"
1 68 LYS 0.256 0.205 11 0 "[ . 1 . 2]"
1 69 GLU 0.212 0.205 11 0 "[ . 1 . 2]"
1 70 LEU 0.197 0.055 7 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 0.092 0.052 1 0 "[ . 1 . 2]"
1 73 VAL 0.542 0.083 4 0 "[ . 1 . 2]"
1 74 ASP 0.660 0.125 3 0 "[ . 1 . 2]"
1 75 GLY 0.212 0.052 1 0 "[ . 1 . 2]"
1 76 GLN 0.878 0.123 19 0 "[ . 1 . 2]"
1 77 GLU 0.168 0.092 19 0 "[ . 1 . 2]"
1 78 LEU 0.297 0.073 16 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.081 0.021 5 0 "[ . 1 . 2]"
1 82 ASP 0.168 0.092 18 0 "[ . 1 . 2]"
1 83 VAL 0.312 0.034 16 0 "[ . 1 . 2]"
1 84 THR 0.398 0.068 1 0 "[ . 1 . 2]"
1 85 THR 0.168 0.092 18 0 "[ . 1 . 2]"
1 86 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 THR 0.262 0.075 7 0 "[ . 1 . 2]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LEU 0.370 0.092 19 0 "[ . 1 . 2]"
1 91 PHE 0.117 0.047 18 0 "[ . 1 . 2]"
1 92 LYS 2.496 0.140 13 0 "[ . 1 . 2]"
1 93 LEU 3.411 0.183 13 0 "[ . 1 . 2]"
1 94 HIS 8.213 0.183 13 0 "[ . 1 . 2]"
1 95 PHE 0.216 0.037 16 0 "[ . 1 . 2]"
1 96 THR 0.042 0.023 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HB2 1 3 GLN H . . 5.500 3.746 2.874 4.222 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER HB3 1 3 GLN H . . 5.500 3.592 2.991 4.186 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLN H 1 4 LEU QB . . 5.340 4.189 3.710 4.536 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLN HA 1 4 LEU H . . 3.480 3.332 3.199 3.431 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLN HB2 1 4 LEU H . . 5.470 3.752 3.090 4.242 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLN HB3 1 4 LEU H . . 5.470 3.994 2.980 4.377 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLN QG 1 4 LEU H . . 6.380 3.700 2.617 4.858 . 0 0 "[ . 1 . 2]" 1
8 1 4 LEU H 1 4 LEU QB . . 3.510 2.485 2.205 2.822 . 0 0 "[ . 1 . 2]" 1
9 1 4 LEU H 1 4 LEU HG . . 5.440 3.129 2.079 4.421 . 0 0 "[ . 1 . 2]" 1
10 1 4 LEU H 1 5 PRO QD . . 5.350 4.394 4.354 4.433 . 0 0 "[ . 1 . 2]" 1
11 1 4 LEU HA 1 5 PRO QG . . 5.110 3.883 3.700 4.023 . 0 0 "[ . 1 . 2]" 1
12 1 4 LEU QB 1 4 LEU HG . . 2.490 2.368 2.145 2.427 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU QB 1 5 PRO QG . . 4.720 4.084 3.419 4.624 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU HB2 1 5 PRO HD2 . . 5.500 3.657 2.305 4.456 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU HB2 1 5 PRO HD3 . . 5.500 4.436 3.071 5.015 . 0 0 "[ . 1 . 2]" 1
16 1 4 LEU HB3 1 5 PRO HD2 . . 5.500 2.952 2.172 4.171 . 0 0 "[ . 1 . 2]" 1
17 1 4 LEU HB3 1 5 PRO HD3 . . 5.500 3.872 3.201 5.053 . 0 0 "[ . 1 . 2]" 1
18 1 5 PRO HA 1 90 LEU H . . 5.500 3.426 2.927 3.999 . 0 0 "[ . 1 . 2]" 1
19 1 5 PRO HA 1 90 LEU HB2 . . 5.500 2.651 2.108 4.223 . 0 0 "[ . 1 . 2]" 1
20 1 5 PRO HA 1 90 LEU HB3 . . 5.500 3.471 2.412 4.417 . 0 0 "[ . 1 . 2]" 1
21 1 5 PRO HA 1 90 LEU HG . . 5.500 4.722 3.940 5.520 0.020 6 0 "[ . 1 . 2]" 1
22 1 5 PRO QB 1 90 LEU QD . . 6.190 3.570 1.896 4.345 . 0 0 "[ . 1 . 2]" 1
23 1 5 PRO QB 1 91 PHE H . . 5.340 4.492 3.713 5.038 . 0 0 "[ . 1 . 2]" 1
24 1 5 PRO QB 1 92 LYS H . . 5.340 3.714 3.182 4.324 . 0 0 "[ . 1 . 2]" 1
25 1 5 PRO HB2 1 90 LEU HB2 . . 5.500 4.386 3.817 5.524 0.024 13 0 "[ . 1 . 2]" 1
26 1 5 PRO HB2 1 90 LEU HB3 . . 5.500 4.434 3.802 4.989 . 0 0 "[ . 1 . 2]" 1
27 1 5 PRO HB3 1 90 LEU HB2 . . 5.500 2.930 2.292 4.171 . 0 0 "[ . 1 . 2]" 1
28 1 5 PRO HB3 1 90 LEU HB3 . . 5.500 2.897 2.265 3.407 . 0 0 "[ . 1 . 2]" 1
29 1 5 PRO QD 1 6 GLN H . . 4.960 4.913 4.847 4.962 0.002 6 0 "[ . 1 . 2]" 1
30 1 5 PRO QG 1 90 LEU QD . . 6.190 3.684 2.172 5.092 . 0 0 "[ . 1 . 2]" 1
31 1 6 GLN H 1 7 ASN H . . 5.250 4.500 4.375 4.552 . 0 0 "[ . 1 . 2]" 1
32 1 6 GLN H 1 7 ASN HA . . 5.500 4.932 4.726 5.147 . 0 0 "[ . 1 . 2]" 1
33 1 6 GLN H 1 90 LEU HB2 . . 5.500 4.240 3.789 5.491 . 0 0 "[ . 1 . 2]" 1
34 1 6 GLN H 1 90 LEU HB3 . . 5.500 4.684 3.793 5.136 . 0 0 "[ . 1 . 2]" 1
35 1 6 GLN H 1 90 LEU QD . . 6.420 5.055 3.640 5.505 . 0 0 "[ . 1 . 2]" 1
36 1 6 GLN H 1 91 PHE HA . . 4.200 2.532 2.240 2.814 . 0 0 "[ . 1 . 2]" 1
37 1 6 GLN H 1 91 PHE QB . . 5.340 4.524 4.307 4.770 . 0 0 "[ . 1 . 2]" 1
38 1 6 GLN H 1 91 PHE QD . . 7.630 3.991 2.486 4.354 . 0 0 "[ . 1 . 2]" 1
39 1 6 GLN H 1 91 PHE QE . . 7.630 4.911 4.161 5.133 . 0 0 "[ . 1 . 2]" 1
40 1 6 GLN H 1 92 LYS H . . 5.500 3.820 3.455 4.242 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLN HA 1 7 ASN H . . 3.450 2.245 2.172 2.314 . 0 0 "[ . 1 . 2]" 1
42 1 6 GLN HA 1 91 PHE QE . . 7.630 5.450 5.093 5.826 . 0 0 "[ . 1 . 2]" 1
43 1 6 GLN QB 1 7 ASN H . . 4.470 3.132 2.834 3.756 . 0 0 "[ . 1 . 2]" 1
44 1 6 GLN QB 1 91 PHE QD . . 6.400 2.547 1.946 3.086 . 0 0 "[ . 1 . 2]" 1
45 1 6 GLN QB 1 91 PHE QE . . 7.310 2.741 2.324 3.156 . 0 0 "[ . 1 . 2]" 1
46 1 6 GLN HB2 1 7 ASN H . . 5.250 4.075 3.912 4.439 . 0 0 "[ . 1 . 2]" 1
47 1 6 GLN HB2 1 91 PHE HA . . 5.500 3.495 2.670 4.706 . 0 0 "[ . 1 . 2]" 1
48 1 6 GLN HB3 1 7 ASN H . . 5.250 3.296 2.909 4.208 . 0 0 "[ . 1 . 2]" 1
49 1 6 GLN HB3 1 91 PHE HA . . 5.500 4.054 2.909 4.690 . 0 0 "[ . 1 . 2]" 1
50 1 6 GLN QG 1 7 ASN H . . 6.380 3.787 2.504 4.645 . 0 0 "[ . 1 . 2]" 1
51 1 6 GLN QG 1 91 PHE QD . . 8.510 4.066 2.750 4.722 . 0 0 "[ . 1 . 2]" 1
52 1 7 ASN H 1 7 ASN QB . . 3.610 2.829 2.519 2.919 . 0 0 "[ . 1 . 2]" 1
53 1 7 ASN H 1 92 LYS QB . . 5.340 4.831 4.398 5.343 0.003 12 0 "[ . 1 . 2]" 1
54 1 7 ASN HA 1 8 ILE H . . 3.450 2.137 2.095 2.176 . 0 0 "[ . 1 . 2]" 1
55 1 7 ASN HA 1 8 ILE QG . . 5.340 3.381 3.160 3.533 . 0 0 "[ . 1 . 2]" 1
56 1 7 ASN HA 1 92 LYS H . . 4.760 2.595 2.378 2.802 . 0 0 "[ . 1 . 2]" 1
57 1 7 ASN HA 1 92 LYS HB2 . . 5.500 2.691 2.225 3.778 . 0 0 "[ . 1 . 2]" 1
58 1 7 ASN HA 1 92 LYS HB3 . . 5.500 3.995 2.634 4.477 . 0 0 "[ . 1 . 2]" 1
59 1 7 ASN HA 1 94 HIS HD2 . . 3.890 3.372 3.069 3.604 . 0 0 "[ . 1 . 2]" 1
60 1 7 ASN QB 1 8 ILE H . . 4.320 2.931 2.739 3.010 . 0 0 "[ . 1 . 2]" 1
61 1 7 ASN QB 1 92 LYS H . . 5.340 4.133 3.744 4.446 . 0 0 "[ . 1 . 2]" 1
62 1 7 ASN QB 1 94 HIS HD2 . . 3.400 2.988 2.480 3.432 0.032 10 0 "[ . 1 . 2]" 1
63 1 7 ASN QB 1 94 HIS HE1 . . 4.910 4.255 3.778 4.768 . 0 0 "[ . 1 . 2]" 1
64 1 7 ASN HB2 1 8 ILE H . . 5.100 3.061 2.803 4.026 . 0 0 "[ . 1 . 2]" 1
65 1 7 ASN HB3 1 8 ILE H . . 5.100 3.991 2.982 4.146 . 0 0 "[ . 1 . 2]" 1
66 1 8 ILE H 1 8 ILE HG12 . . 5.500 2.294 2.180 2.434 . 0 0 "[ . 1 . 2]" 1
67 1 8 ILE H 1 8 ILE HG13 . . 5.500 2.876 2.796 2.945 . 0 0 "[ . 1 . 2]" 1
68 1 8 ILE H 1 9 GLN H . . 5.500 4.314 4.239 4.399 . 0 0 "[ . 1 . 2]" 1
69 1 8 ILE H 1 93 LEU HA . . 5.500 3.463 3.264 3.820 . 0 0 "[ . 1 . 2]" 1
70 1 8 ILE H 1 94 HIS HD2 . . 5.500 2.475 2.263 2.707 . 0 0 "[ . 1 . 2]" 1
71 1 8 ILE HA 1 9 GLN H . . 3.480 2.238 2.159 2.335 . 0 0 "[ . 1 . 2]" 1
72 1 8 ILE HB 1 9 GLN H . . 4.200 2.864 2.505 3.084 . 0 0 "[ . 1 . 2]" 1
73 1 8 ILE HB 1 10 PHE QD . . 6.850 3.029 2.677 3.804 . 0 0 "[ . 1 . 2]" 1
74 1 8 ILE HB 1 10 PHE QE . . 6.670 2.220 2.032 2.730 . 0 0 "[ . 1 . 2]" 1
75 1 8 ILE HB 1 22 TYR QD . . 7.630 4.852 3.832 6.370 . 0 0 "[ . 1 . 2]" 1
76 1 8 ILE HB 1 94 HIS HD2 . . 5.500 5.567 5.522 5.607 0.107 6 0 "[ . 1 . 2]" 1
77 1 8 ILE MD 1 9 GLN H . . 6.520 4.879 4.571 5.084 . 0 0 "[ . 1 . 2]" 1
78 1 8 ILE MD 1 10 PHE QD . . 7.590 3.074 2.716 3.684 . 0 0 "[ . 1 . 2]" 1
79 1 8 ILE MD 1 10 PHE QE . . 7.510 1.976 1.834 2.137 . 0 0 "[ . 1 . 2]" 1
80 1 8 ILE MD 1 10 PHE HZ . . 5.530 3.842 3.213 4.085 . 0 0 "[ . 1 . 2]" 1
81 1 8 ILE MD 1 22 TYR QD . . 7.410 4.557 3.575 5.751 . 0 0 "[ . 1 . 2]" 1
82 1 8 ILE MD 1 22 TYR QE . . 7.970 4.902 3.606 6.525 . 0 0 "[ . 1 . 2]" 1
83 1 8 ILE MD 1 23 LEU H . . 6.520 6.268 5.659 6.539 0.019 8 0 "[ . 1 . 2]" 1
84 1 8 ILE MD 1 91 PHE HB2 . . 6.520 3.367 3.030 3.810 . 0 0 "[ . 1 . 2]" 1
85 1 8 ILE MD 1 91 PHE HB3 . . 6.520 2.504 2.254 2.941 . 0 0 "[ . 1 . 2]" 1
86 1 8 ILE MD 1 91 PHE QD . . 8.650 2.664 2.197 3.155 . 0 0 "[ . 1 . 2]" 1
87 1 8 ILE MD 1 92 LYS H . . 6.520 4.455 4.220 4.631 . 0 0 "[ . 1 . 2]" 1
88 1 8 ILE MD 1 93 LEU HA . . 6.520 3.425 3.156 3.832 . 0 0 "[ . 1 . 2]" 1
89 1 8 ILE MD 1 93 LEU QD . . 7.390 2.316 2.055 2.673 . 0 0 "[ . 1 . 2]" 1
90 1 8 ILE MD 1 93 LEU HG . . 6.520 4.648 4.366 5.142 . 0 0 "[ . 1 . 2]" 1
91 1 8 ILE QG 1 10 PHE H . . 5.340 5.023 4.897 5.170 . 0 0 "[ . 1 . 2]" 1
92 1 8 ILE QG 1 10 PHE QD . . 7.320 2.968 2.721 3.149 . 0 0 "[ . 1 . 2]" 1
93 1 8 ILE QG 1 10 PHE QE . . 6.860 3.221 2.599 3.416 . 0 0 "[ . 1 . 2]" 1
94 1 8 ILE QG 1 22 TYR QD . . 7.320 6.098 5.297 7.328 0.008 3 0 "[ . 1 . 2]" 1
95 1 8 ILE QG 1 91 PHE QB . . 4.760 2.695 2.396 2.949 . 0 0 "[ . 1 . 2]" 1
96 1 8 ILE QG 1 91 PHE QD . . 5.850 3.062 2.403 4.525 . 0 0 "[ . 1 . 2]" 1
97 1 8 ILE QG 1 93 LEU QD . . 6.190 2.155 1.964 2.475 . 0 0 "[ . 1 . 2]" 1
98 1 8 ILE QG 1 94 HIS HD2 . . 4.470 3.718 3.548 3.815 . 0 0 "[ . 1 . 2]" 1
99 1 8 ILE HG12 1 9 GLN H . . 5.500 5.046 4.876 5.146 . 0 0 "[ . 1 . 2]" 1
100 1 8 ILE HG12 1 93 LEU HA . . 5.500 3.216 2.973 3.672 . 0 0 "[ . 1 . 2]" 1
101 1 8 ILE HG12 1 94 HIS H . . 5.500 4.496 4.268 4.818 . 0 0 "[ . 1 . 2]" 1
102 1 8 ILE HG13 1 9 GLN H . . 5.500 4.306 4.048 4.485 . 0 0 "[ . 1 . 2]" 1
103 1 8 ILE HG13 1 93 LEU HA . . 5.500 2.291 2.092 2.654 . 0 0 "[ . 1 . 2]" 1
104 1 8 ILE HG13 1 94 HIS H . . 5.500 3.323 3.150 3.661 . 0 0 "[ . 1 . 2]" 1
105 1 8 ILE MG 1 9 GLN H . . 6.520 3.650 3.512 3.832 . 0 0 "[ . 1 . 2]" 1
106 1 8 ILE MG 1 9 GLN QB . . 7.400 5.390 5.124 5.651 . 0 0 "[ . 1 . 2]" 1
107 1 8 ILE MG 1 10 PHE QE . . 7.600 3.027 2.693 3.629 . 0 0 "[ . 1 . 2]" 1
108 1 8 ILE MG 1 22 TYR QD . . 7.500 4.004 3.021 5.825 . 0 0 "[ . 1 . 2]" 1
109 1 8 ILE MG 1 22 TYR QE . . 6.790 3.257 2.111 5.981 . 0 0 "[ . 1 . 2]" 1
110 1 8 ILE MG 1 91 PHE HA . . 6.520 4.838 4.522 5.158 . 0 0 "[ . 1 . 2]" 1
111 1 8 ILE MG 1 91 PHE QB . . 6.290 3.712 3.322 4.198 . 0 0 "[ . 1 . 2]" 1
112 1 8 ILE MG 1 91 PHE QD . . 6.850 2.587 2.109 4.313 . 0 0 "[ . 1 . 2]" 1
113 1 8 ILE MG 1 91 PHE QE . . 8.120 3.169 2.557 4.880 . 0 0 "[ . 1 . 2]" 1
114 1 8 ILE MG 1 92 LYS H . . 6.520 4.662 4.423 4.863 . 0 0 "[ . 1 . 2]" 1
115 1 8 ILE MG 1 93 LEU HA . . 6.520 4.970 4.787 5.249 . 0 0 "[ . 1 . 2]" 1
116 1 9 GLN HA 1 10 PHE H . . 3.330 2.106 2.066 2.178 . 0 0 "[ . 1 . 2]" 1
117 1 9 GLN HA 1 10 PHE QD . . 7.630 3.782 3.407 4.117 . 0 0 "[ . 1 . 2]" 1
118 1 9 GLN HA 1 93 LEU QD . . 6.420 3.641 3.256 4.633 . 0 0 "[ . 1 . 2]" 1
119 1 9 GLN HA 1 94 HIS H . . 4.600 2.677 2.427 3.183 . 0 0 "[ . 1 . 2]" 1
120 1 9 GLN HA 1 94 HIS HB2 . . 5.500 2.505 2.280 2.822 . 0 0 "[ . 1 . 2]" 1
121 1 9 GLN HA 1 94 HIS HB3 . . 5.500 3.936 3.648 4.232 . 0 0 "[ . 1 . 2]" 1
122 1 9 GLN QB 1 10 PHE H . . 5.850 3.288 2.863 3.726 . 0 0 "[ . 1 . 2]" 1
123 1 9 GLN QB 1 94 HIS HB2 . . 6.380 2.988 2.254 3.826 . 0 0 "[ . 1 . 2]" 1
124 1 9 GLN QB 1 94 HIS HB3 . . 6.380 3.997 3.178 4.956 . 0 0 "[ . 1 . 2]" 1
125 1 9 GLN QB 1 94 HIS HD2 . . 5.760 5.005 4.339 5.771 0.011 9 0 "[ . 1 . 2]" 1
126 1 9 GLN QB 1 96 THR MG . . 7.400 3.354 2.008 4.742 . 0 0 "[ . 1 . 2]" 1
127 1 9 GLN QG 1 10 PHE H . . 6.380 3.458 2.542 4.207 . 0 0 "[ . 1 . 2]" 1
128 1 9 GLN QG 1 10 PHE QB . . 6.160 5.212 4.514 6.116 . 0 0 "[ . 1 . 2]" 1
129 1 9 GLN QG 1 94 HIS H . . 6.380 4.815 3.802 5.750 . 0 0 "[ . 1 . 2]" 1
130 1 9 GLN QG 1 94 HIS HB2 . . 6.380 3.507 1.904 4.835 . 0 0 "[ . 1 . 2]" 1
131 1 9 GLN QG 1 94 HIS HB3 . . 6.380 4.248 2.725 6.052 . 0 0 "[ . 1 . 2]" 1
132 1 9 GLN QG 1 96 THR MG . . 7.400 3.070 2.067 4.842 . 0 0 "[ . 1 . 2]" 1
133 1 10 PHE H 1 11 SER H . . 5.500 4.354 4.289 4.393 . 0 0 "[ . 1 . 2]" 1
134 1 10 PHE H 1 93 LEU MD1 . . 6.520 3.368 2.939 4.464 . 0 0 "[ . 1 . 2]" 1
135 1 10 PHE H 1 93 LEU MD2 . . 6.520 4.661 3.798 6.603 0.083 16 0 "[ . 1 . 2]" 1
136 1 10 PHE H 1 94 HIS H . . 5.440 3.558 3.283 3.767 . 0 0 "[ . 1 . 2]" 1
137 1 10 PHE H 1 94 HIS QB . . 5.340 3.896 3.707 4.184 . 0 0 "[ . 1 . 2]" 1
138 1 10 PHE H 1 95 PHE H . . 5.500 4.732 4.678 4.804 . 0 0 "[ . 1 . 2]" 1
139 1 10 PHE H 1 95 PHE HA . . 4.600 2.840 2.675 3.016 . 0 0 "[ . 1 . 2]" 1
140 1 10 PHE H 1 95 PHE QE . . 7.630 5.530 5.184 5.899 . 0 0 "[ . 1 . 2]" 1
141 1 10 PHE H 1 96 THR H . . 5.130 3.493 2.961 4.000 . 0 0 "[ . 1 . 2]" 1
142 1 10 PHE H 1 96 THR MG . . 6.520 3.725 2.859 5.667 . 0 0 "[ . 1 . 2]" 1
143 1 10 PHE HA 1 14 ALA MB . . 6.520 4.155 3.827 4.660 . 0 0 "[ . 1 . 2]" 1
144 1 10 PHE HA 1 96 THR MG . . 6.520 3.934 2.939 5.432 . 0 0 "[ . 1 . 2]" 1
145 1 10 PHE QB 1 11 SER H . . 4.030 2.517 2.466 2.567 . 0 0 "[ . 1 . 2]" 1
146 1 10 PHE QB 1 14 ALA H . . 5.340 4.309 4.022 4.687 . 0 0 "[ . 1 . 2]" 1
147 1 10 PHE QB 1 19 VAL QG . . 6.190 3.473 3.025 3.863 . 0 0 "[ . 1 . 2]" 1
148 1 10 PHE QB 1 67 LEU QD . . 5.720 2.225 2.052 2.457 . 0 0 "[ . 1 . 2]" 1
149 1 10 PHE QB 1 93 LEU QD . . 5.720 2.296 2.028 3.265 . 0 0 "[ . 1 . 2]" 1
150 1 10 PHE QB 1 95 PHE QD . . 7.090 3.793 3.333 4.415 . 0 0 "[ . 1 . 2]" 1
151 1 10 PHE HB2 1 11 SER H . . 4.880 3.844 3.769 3.887 . 0 0 "[ . 1 . 2]" 1
152 1 10 PHE HB2 1 14 ALA MB . . 6.520 3.988 3.544 4.383 . 0 0 "[ . 1 . 2]" 1
153 1 10 PHE HB3 1 11 SER H . . 4.880 2.552 2.500 2.606 . 0 0 "[ . 1 . 2]" 1
154 1 10 PHE HB3 1 14 ALA MB . . 6.520 2.636 2.230 3.046 . 0 0 "[ . 1 . 2]" 1
155 1 10 PHE QD 1 11 SER H . . 7.630 3.313 3.051 3.565 . 0 0 "[ . 1 . 2]" 1
156 1 10 PHE QD 1 14 ALA MB . . 7.470 2.604 2.241 2.964 . 0 0 "[ . 1 . 2]" 1
157 1 10 PHE QD 1 19 VAL QG . . 8.440 3.044 2.637 3.520 . 0 0 "[ . 1 . 2]" 1
158 1 10 PHE QD 1 67 LEU QD . . 8.440 3.227 2.967 3.668 . 0 0 "[ . 1 . 2]" 1
159 1 10 PHE QD 1 93 LEU QD . . 6.750 2.173 1.991 2.674 . 0 0 "[ . 1 . 2]" 1
160 1 10 PHE HZ 1 19 VAL HA . . 5.500 2.869 2.178 3.868 . 0 0 "[ . 1 . 2]" 1
161 1 10 PHE HZ 1 19 VAL QG . . 6.420 2.738 2.241 3.331 . 0 0 "[ . 1 . 2]" 1
162 1 10 PHE HZ 1 22 TYR H . . 5.500 4.879 4.187 5.530 0.030 3 0 "[ . 1 . 2]" 1
163 1 10 PHE HZ 1 22 TYR QB . . 6.380 2.617 2.003 3.339 . 0 0 "[ . 1 . 2]" 1
164 1 11 SER H 1 11 SER HB2 . . 4.070 2.519 2.396 3.481 . 0 0 "[ . 1 . 2]" 1
165 1 11 SER H 1 11 SER QB . . 3.540 2.398 2.238 2.676 . 0 0 "[ . 1 . 2]" 1
166 1 11 SER H 1 11 SER HB3 . . 4.070 3.417 2.382 3.599 . 0 0 "[ . 1 . 2]" 1
167 1 11 SER H 1 14 ALA H . . 5.500 4.220 4.066 4.459 . 0 0 "[ . 1 . 2]" 1
168 1 11 SER H 1 14 ALA MB . . 6.520 2.970 2.750 3.287 . 0 0 "[ . 1 . 2]" 1
169 1 11 SER H 1 67 LEU QD . . 6.420 4.312 3.934 4.814 . 0 0 "[ . 1 . 2]" 1
170 1 11 SER H 1 96 THR MG . . 6.520 4.170 3.416 6.291 . 0 0 "[ . 1 . 2]" 1
171 1 11 SER HA 1 13 SER H . . 5.310 4.113 3.910 4.302 . 0 0 "[ . 1 . 2]" 1
172 1 11 SER HA 1 14 ALA H . . 5.500 4.870 4.692 5.009 . 0 0 "[ . 1 . 2]" 1
173 1 11 SER HA 1 95 PHE QE . . 7.630 5.235 4.975 5.578 . 0 0 "[ . 1 . 2]" 1
174 1 11 SER HA 1 96 THR H . . 4.570 2.922 2.578 3.329 . 0 0 "[ . 1 . 2]" 1
175 1 11 SER QB 1 13 SER H . . 4.240 2.964 2.736 3.345 . 0 0 "[ . 1 . 2]" 1
176 1 11 SER QB 1 14 ALA H . . 4.050 3.451 3.120 3.827 . 0 0 "[ . 1 . 2]" 1
177 1 11 SER HB2 1 14 ALA MB . . 6.520 3.358 2.786 4.472 . 0 0 "[ . 1 . 2]" 1
178 1 11 SER HB3 1 14 ALA MB . . 6.520 4.411 2.828 4.907 . 0 0 "[ . 1 . 2]" 1
179 1 12 PRO HA 1 14 ALA H . . 5.500 3.779 3.559 3.945 . 0 0 "[ . 1 . 2]" 1
180 1 12 PRO HA 1 67 LEU H . . 5.500 4.555 4.060 5.029 . 0 0 "[ . 1 . 2]" 1
181 1 12 PRO HA 1 67 LEU HB2 . . 5.500 3.099 2.394 3.698 . 0 0 "[ . 1 . 2]" 1
182 1 12 PRO HA 1 67 LEU HB3 . . 5.500 4.507 3.810 5.167 . 0 0 "[ . 1 . 2]" 1
183 1 12 PRO HA 1 67 LEU QD . . 6.420 3.788 3.126 4.290 . 0 0 "[ . 1 . 2]" 1
184 1 12 PRO HA 1 68 LYS H . . 5.160 3.502 3.121 3.922 . 0 0 "[ . 1 . 2]" 1
185 1 12 PRO HA 1 95 PHE QD . . 6.570 2.562 2.197 2.903 . 0 0 "[ . 1 . 2]" 1
186 1 12 PRO HA 1 95 PHE QE . . 7.350 2.310 2.051 2.916 . 0 0 "[ . 1 . 2]" 1
187 1 12 PRO QB 1 14 ALA H . . 5.340 4.605 4.515 4.739 . 0 0 "[ . 1 . 2]" 1
188 1 12 PRO QB 1 67 LEU QB . . 5.180 4.487 3.814 5.060 . 0 0 "[ . 1 . 2]" 1
189 1 12 PRO QB 1 67 LEU QD . . 6.190 5.143 4.522 5.584 . 0 0 "[ . 1 . 2]" 1
190 1 12 PRO QB 1 68 LYS H . . 5.340 3.965 3.429 4.522 . 0 0 "[ . 1 . 2]" 1
191 1 12 PRO QB 1 68 LYS HA . . 5.340 4.137 3.463 5.392 0.052 11 0 "[ . 1 . 2]" 1
192 1 12 PRO QB 1 95 PHE QD . . 7.000 3.607 2.426 3.979 . 0 0 "[ . 1 . 2]" 1
193 1 12 PRO QD 1 13 SER QB . . 5.180 4.766 4.333 5.092 . 0 0 "[ . 1 . 2]" 1
194 1 12 PRO QD 1 67 LEU QD . . 6.190 5.119 4.652 5.582 . 0 0 "[ . 1 . 2]" 1
195 1 12 PRO QD 1 95 PHE QB . . 4.530 2.341 2.027 2.522 . 0 0 "[ . 1 . 2]" 1
196 1 12 PRO HD2 1 13 SER H . . 5.500 3.227 3.060 3.464 . 0 0 "[ . 1 . 2]" 1
197 1 12 PRO HD2 1 95 PHE HA . . 5.500 5.180 4.722 5.450 . 0 0 "[ . 1 . 2]" 1
198 1 12 PRO HD2 1 96 THR H . . 5.500 4.485 3.642 5.131 . 0 0 "[ . 1 . 2]" 1
199 1 12 PRO HD3 1 13 SER H . . 5.500 4.232 4.103 4.434 . 0 0 "[ . 1 . 2]" 1
200 1 12 PRO HD3 1 95 PHE HA . . 5.500 3.553 3.227 3.709 . 0 0 "[ . 1 . 2]" 1
201 1 12 PRO HD3 1 96 THR H . . 5.500 3.265 2.746 3.734 . 0 0 "[ . 1 . 2]" 1
202 1 12 PRO QG 1 95 PHE QB . . 4.760 2.609 2.089 3.468 . 0 0 "[ . 1 . 2]" 1
203 1 12 PRO QG 1 95 PHE QD . . 6.200 2.966 2.489 4.009 . 0 0 "[ . 1 . 2]" 1
204 1 12 PRO QG 1 95 PHE QE . . 7.120 4.274 3.688 5.215 . 0 0 "[ . 1 . 2]" 1
205 1 12 PRO QG 1 96 THR H . . 5.350 4.782 4.234 5.373 0.023 9 0 "[ . 1 . 2]" 1
206 1 12 PRO HG2 1 13 SER H . . 5.500 4.100 2.866 4.623 . 0 0 "[ . 1 . 2]" 1
207 1 12 PRO HG3 1 13 SER H . . 5.500 4.703 4.328 4.893 . 0 0 "[ . 1 . 2]" 1
208 1 13 SER H 1 13 SER HB2 . . 3.950 3.042 2.439 3.511 . 0 0 "[ . 1 . 2]" 1
209 1 13 SER H 1 13 SER HB3 . . 3.950 3.102 2.505 3.657 . 0 0 "[ . 1 . 2]" 1
210 1 13 SER H 1 14 ALA H . . 3.730 2.537 2.424 2.633 . 0 0 "[ . 1 . 2]" 1
211 1 13 SER H 1 14 ALA HA . . 5.500 4.942 4.885 5.027 . 0 0 "[ . 1 . 2]" 1
212 1 13 SER H 1 14 ALA MB . . 6.520 4.147 4.075 4.272 . 0 0 "[ . 1 . 2]" 1
213 1 13 SER H 1 66 THR HB . . 5.500 4.862 4.651 5.301 . 0 0 "[ . 1 . 2]" 1
214 1 13 SER H 1 66 THR MG . . 6.520 4.840 4.581 5.114 . 0 0 "[ . 1 . 2]" 1
215 1 13 SER H 1 95 PHE QE . . 7.630 5.367 5.104 5.729 . 0 0 "[ . 1 . 2]" 1
216 1 13 SER HA 1 66 THR HB . . 5.500 2.947 2.447 3.519 . 0 0 "[ . 1 . 2]" 1
217 1 13 SER HA 1 66 THR MG . . 6.520 2.505 2.178 2.950 . 0 0 "[ . 1 . 2]" 1
218 1 13 SER HA 1 67 LEU H . . 5.500 4.889 4.411 5.505 0.005 4 0 "[ . 1 . 2]" 1
219 1 13 SER HA 1 67 LEU QD . . 6.420 5.881 5.591 6.415 . 0 0 "[ . 1 . 2]" 1
220 1 13 SER QB 1 14 ALA HA . . 5.340 4.315 4.096 4.493 . 0 0 "[ . 1 . 2]" 1
221 1 13 SER QB 1 66 THR MG . . 6.290 3.518 3.008 3.907 . 0 0 "[ . 1 . 2]" 1
222 1 13 SER HB2 1 14 ALA H . . 5.280 3.952 3.479 4.449 . 0 0 "[ . 1 . 2]" 1
223 1 13 SER HB3 1 14 ALA H . . 5.280 4.361 3.669 4.528 . 0 0 "[ . 1 . 2]" 1
224 1 14 ALA H 1 15 LYS H . . 5.500 4.564 4.524 4.613 . 0 0 "[ . 1 . 2]" 1
225 1 14 ALA H 1 66 THR HB . . 5.500 3.924 3.677 4.277 . 0 0 "[ . 1 . 2]" 1
226 1 14 ALA H 1 66 THR MG . . 6.520 4.136 3.962 4.363 . 0 0 "[ . 1 . 2]" 1
227 1 14 ALA H 1 67 LEU H . . 5.500 4.152 3.992 4.556 . 0 0 "[ . 1 . 2]" 1
228 1 14 ALA H 1 67 LEU MD1 . . 6.520 3.973 3.465 4.485 . 0 0 "[ . 1 . 2]" 1
229 1 14 ALA H 1 67 LEU MD2 . . 6.520 5.677 5.328 6.223 . 0 0 "[ . 1 . 2]" 1
230 1 14 ALA HA 1 15 LYS H . . 3.360 2.210 2.162 2.278 . 0 0 "[ . 1 . 2]" 1
231 1 14 ALA HA 1 67 LEU QD . . 6.420 4.827 4.538 5.442 . 0 0 "[ . 1 . 2]" 1
232 1 14 ALA MB 1 15 LYS H . . 6.460 2.734 2.654 2.794 . 0 0 "[ . 1 . 2]" 1
233 1 14 ALA MB 1 18 GLU HB2 . . 6.520 3.103 2.572 4.826 . 0 0 "[ . 1 . 2]" 1
234 1 14 ALA MB 1 18 GLU HB3 . . 6.520 3.877 3.074 5.064 . 0 0 "[ . 1 . 2]" 1
235 1 14 ALA MB 1 19 VAL H . . 6.520 4.455 4.027 4.834 . 0 0 "[ . 1 . 2]" 1
236 1 14 ALA MB 1 19 VAL QG . . 7.390 3.107 2.386 3.636 . 0 0 "[ . 1 . 2]" 1
237 1 14 ALA MB 1 67 LEU MD1 . . 7.540 2.587 2.148 3.155 . 0 0 "[ . 1 . 2]" 1
238 1 14 ALA MB 1 67 LEU MD2 . . 7.540 4.039 3.702 4.632 . 0 0 "[ . 1 . 2]" 1
239 1 14 ALA MB 1 67 LEU HG . . 6.520 3.079 2.823 3.647 . 0 0 "[ . 1 . 2]" 1
240 1 15 LYS H 1 15 LYS QB . . 3.620 2.418 2.257 2.603 . 0 0 "[ . 1 . 2]" 1
241 1 15 LYS H 1 18 GLU H . . 5.500 3.930 3.468 4.511 . 0 0 "[ . 1 . 2]" 1
242 1 15 LYS H 1 18 GLU HG2 . . 5.500 3.634 2.405 4.408 . 0 0 "[ . 1 . 2]" 1
243 1 15 LYS H 1 18 GLU HG3 . . 5.500 2.994 1.819 4.557 . 0 0 "[ . 1 . 2]" 1
244 1 15 LYS H 1 66 THR HA . . 5.500 4.285 4.132 4.530 . 0 0 "[ . 1 . 2]" 1
245 1 15 LYS H 1 67 LEU QD . . 6.420 4.705 4.333 5.438 . 0 0 "[ . 1 . 2]" 1
246 1 15 LYS HA 1 17 GLN H . . 5.500 4.302 4.048 4.571 . 0 0 "[ . 1 . 2]" 1
247 1 15 LYS HA 1 65 LYS H . . 5.500 5.259 4.916 5.501 0.001 5 0 "[ . 1 . 2]" 1
248 1 15 LYS HA 1 66 THR HA . . 3.520 1.888 1.830 2.038 . 0 0 "[ . 1 . 2]" 1
249 1 15 LYS HA 1 67 LEU QD . . 6.420 3.931 3.431 4.679 . 0 0 "[ . 1 . 2]" 1
250 1 15 LYS HA 1 67 LEU HG . . 5.500 3.818 3.347 4.467 . 0 0 "[ . 1 . 2]" 1
251 1 15 LYS QB 1 16 LEU H . . 4.080 2.630 2.288 3.588 . 0 0 "[ . 1 . 2]" 1
252 1 15 LYS QB 1 17 GLN H . . 4.500 2.876 2.398 4.078 . 0 0 "[ . 1 . 2]" 1
253 1 15 LYS QB 1 18 GLU H . . 5.340 2.782 2.320 3.174 . 0 0 "[ . 1 . 2]" 1
254 1 15 LYS QB 1 18 GLU QG . . 5.180 2.254 1.780 4.270 . 0 0 "[ . 1 . 2]" 1
255 1 15 LYS QB 1 64 SER HA . . 5.340 3.810 3.052 4.987 . 0 0 "[ . 1 . 2]" 1
256 1 15 LYS QB 1 67 LEU QD . . 6.190 4.826 4.411 5.479 . 0 0 "[ . 1 . 2]" 1
257 1 15 LYS HB2 1 16 LEU H . . 4.940 3.754 3.540 4.114 . 0 0 "[ . 1 . 2]" 1
258 1 15 LYS HB3 1 16 LEU H . . 4.940 2.720 2.315 3.983 . 0 0 "[ . 1 . 2]" 1
259 1 16 LEU H 1 16 LEU QB . . 3.620 2.184 2.130 2.253 . 0 0 "[ . 1 . 2]" 1
260 1 16 LEU H 1 16 LEU HG . . 5.500 4.560 4.478 4.643 . 0 0 "[ . 1 . 2]" 1
261 1 16 LEU H 1 17 GLN H . . 4.820 2.684 2.512 2.877 . 0 0 "[ . 1 . 2]" 1
262 1 16 LEU H 1 19 VAL HB . . 5.500 5.541 5.485 5.590 0.090 15 0 "[ . 1 . 2]" 1
263 1 16 LEU H 1 63 LEU HA . . 4.320 3.744 3.051 4.324 0.004 5 0 "[ . 1 . 2]" 1
264 1 16 LEU H 1 63 LEU QD . . 6.420 4.805 4.331 6.106 . 0 0 "[ . 1 . 2]" 1
265 1 16 LEU H 1 64 SER HA . . 5.500 5.311 4.835 5.544 0.044 15 0 "[ . 1 . 2]" 1
266 1 16 LEU H 1 65 LYS H . . 5.500 4.360 3.962 4.583 . 0 0 "[ . 1 . 2]" 1
267 1 16 LEU H 1 66 THR HA . . 4.760 3.447 2.831 3.914 . 0 0 "[ . 1 . 2]" 1
268 1 16 LEU H 1 67 LEU QD . . 6.420 3.550 3.153 4.177 . 0 0 "[ . 1 . 2]" 1
269 1 16 LEU H 1 70 LEU QD . . 6.420 3.445 2.848 3.918 . 0 0 "[ . 1 . 2]" 1
270 1 16 LEU HA 1 18 GLU H . . 5.500 4.236 4.110 4.452 . 0 0 "[ . 1 . 2]" 1
271 1 16 LEU HA 1 19 VAL H . . 4.880 3.379 3.089 3.699 . 0 0 "[ . 1 . 2]" 1
272 1 16 LEU HA 1 19 VAL HB . . 4.760 2.953 2.801 3.086 . 0 0 "[ . 1 . 2]" 1
273 1 16 LEU HA 1 19 VAL QG . . 6.420 2.487 2.237 2.898 . 0 0 "[ . 1 . 2]" 1
274 1 16 LEU HA 1 63 LEU QD . . 6.420 5.007 4.514 6.334 . 0 0 "[ . 1 . 2]" 1
275 1 16 LEU HA 1 67 LEU QD . . 6.070 2.326 1.998 2.847 . 0 0 "[ . 1 . 2]" 1
276 1 16 LEU HA 1 70 LEU QD . . 6.420 3.790 3.459 4.169 . 0 0 "[ . 1 . 2]" 1
277 1 16 LEU QB 1 17 GLN H . . 4.370 2.650 2.397 2.839 . 0 0 "[ . 1 . 2]" 1
278 1 16 LEU QB 1 19 VAL QG . . 6.190 4.074 3.793 4.409 . 0 0 "[ . 1 . 2]" 1
279 1 16 LEU QB 1 48 TYR HA . . 5.340 4.915 4.381 5.499 0.159 16 0 "[ . 1 . 2]" 1
280 1 16 LEU QB 1 63 LEU HA . . 5.080 2.156 1.901 2.628 . 0 0 "[ . 1 . 2]" 1
281 1 16 LEU QB 1 63 LEU QD . . 6.190 2.951 2.287 4.509 . 0 0 "[ . 1 . 2]" 1
282 1 16 LEU QB 1 67 LEU HA . . 5.340 4.201 3.857 4.650 . 0 0 "[ . 1 . 2]" 1
283 1 16 LEU QB 1 67 LEU QD . . 5.720 2.867 2.545 3.175 . 0 0 "[ . 1 . 2]" 1
284 1 16 LEU QB 1 70 LEU QD . . 5.720 2.006 1.881 2.216 . 0 0 "[ . 1 . 2]" 1
285 1 16 LEU HB2 1 17 GLN H . . 5.160 3.851 3.660 4.041 . 0 0 "[ . 1 . 2]" 1
286 1 16 LEU HB2 1 65 LYS H . . 5.500 4.997 4.595 5.488 . 0 0 "[ . 1 . 2]" 1
287 1 16 LEU HB3 1 17 GLN H . . 5.160 2.701 2.430 2.910 . 0 0 "[ . 1 . 2]" 1
288 1 16 LEU HB3 1 65 LYS H . . 5.500 4.670 3.952 5.205 . 0 0 "[ . 1 . 2]" 1
289 1 16 LEU QD 1 18 GLU H . . 6.420 4.591 4.424 4.756 . 0 0 "[ . 1 . 2]" 1
290 1 16 LEU QD 1 19 VAL HB . . 5.730 2.664 2.204 3.266 . 0 0 "[ . 1 . 2]" 1
291 1 16 LEU QD 1 19 VAL QG . . 7.230 2.646 2.215 3.220 . 0 0 "[ . 1 . 2]" 1
292 1 16 LEU QD 1 20 LEU H . . 6.420 3.573 3.171 3.879 . 0 0 "[ . 1 . 2]" 1
293 1 16 LEU QD 1 47 LEU HA . . 6.420 3.902 3.441 4.595 . 0 0 "[ . 1 . 2]" 1
294 1 16 LEU QD 1 48 TYR H . . 6.420 3.751 3.338 4.149 . 0 0 "[ . 1 . 2]" 1
295 1 16 LEU QD 1 48 TYR QD . . 8.020 2.745 1.957 3.721 . 0 0 "[ . 1 . 2]" 1
296 1 16 LEU QD 1 48 TYR QE . . 7.910 4.112 2.198 5.268 . 0 0 "[ . 1 . 2]" 1
297 1 16 LEU QD 1 63 LEU HA . . 6.420 3.013 2.019 3.539 . 0 0 "[ . 1 . 2]" 1
298 1 16 LEU QD 1 63 LEU QD . . 7.230 2.145 1.826 3.628 . 0 0 "[ . 1 . 2]" 1
299 1 16 LEU QD 1 67 LEU QD . . 6.530 2.221 1.964 2.425 . 0 0 "[ . 1 . 2]" 1
300 1 16 LEU MD1 1 17 GLN H . . 6.520 3.502 3.117 3.805 . 0 0 "[ . 1 . 2]" 1
301 1 16 LEU MD1 1 19 VAL H . . 6.520 4.361 4.109 4.588 . 0 0 "[ . 1 . 2]" 1
302 1 16 LEU MD1 1 19 VAL HB . . 6.520 3.331 2.796 3.779 . 0 0 "[ . 1 . 2]" 1
303 1 16 LEU MD2 1 17 GLN H . . 6.520 4.588 4.398 4.725 . 0 0 "[ . 1 . 2]" 1
304 1 16 LEU MD2 1 19 VAL H . . 6.520 4.416 4.049 4.978 . 0 0 "[ . 1 . 2]" 1
305 1 16 LEU MD2 1 19 VAL HB . . 6.520 2.844 2.293 3.588 . 0 0 "[ . 1 . 2]" 1
306 1 16 LEU HG 1 17 GLN H . . 5.500 5.005 4.741 5.220 . 0 0 "[ . 1 . 2]" 1
307 1 16 LEU HG 1 47 LEU H . . 5.500 5.414 5.085 5.548 0.048 9 0 "[ . 1 . 2]" 1
308 1 16 LEU HG 1 47 LEU HB2 . . 5.500 3.635 2.525 4.459 . 0 0 "[ . 1 . 2]" 1
309 1 16 LEU HG 1 47 LEU HB3 . . 5.500 2.625 2.023 4.340 . 0 0 "[ . 1 . 2]" 1
310 1 16 LEU HG 1 62 ASN HB2 . . 5.500 4.305 2.934 5.480 . 0 0 "[ . 1 . 2]" 1
311 1 16 LEU HG 1 62 ASN HB3 . . 5.500 3.720 2.551 5.544 0.044 1 0 "[ . 1 . 2]" 1
312 1 16 LEU HG 1 63 LEU H . . 5.500 5.370 4.945 5.534 0.034 17 0 "[ . 1 . 2]" 1
313 1 16 LEU HG 1 63 LEU HA . . 5.500 4.009 3.224 4.557 . 0 0 "[ . 1 . 2]" 1
314 1 16 LEU HG 1 63 LEU QD . . 6.420 3.678 3.071 5.644 . 0 0 "[ . 1 . 2]" 1
315 1 16 LEU HG 1 70 LEU QB . . 5.340 5.091 4.734 5.394 0.054 8 0 "[ . 1 . 2]" 1
316 1 17 GLN H 1 17 GLN HB2 . . 4.040 2.828 2.328 3.691 . 0 0 "[ . 1 . 2]" 1
317 1 17 GLN H 1 17 GLN QB . . 3.540 2.355 2.160 2.761 . 0 0 "[ . 1 . 2]" 1
318 1 17 GLN H 1 17 GLN HB3 . . 4.040 2.604 2.407 2.857 . 0 0 "[ . 1 . 2]" 1
319 1 17 GLN H 1 18 GLU H . . 4.910 2.716 2.651 2.850 . 0 0 "[ . 1 . 2]" 1
320 1 17 GLN H 1 19 VAL H . . 5.500 4.108 4.032 4.201 . 0 0 "[ . 1 . 2]" 1
321 1 17 GLN H 1 19 VAL HB . . 5.500 5.133 5.035 5.336 . 0 0 "[ . 1 . 2]" 1
322 1 17 GLN H 1 63 LEU HA . . 4.450 2.849 2.477 3.451 . 0 0 "[ . 1 . 2]" 1
323 1 17 GLN H 1 63 LEU QB . . 5.340 3.549 2.968 4.076 . 0 0 "[ . 1 . 2]" 1
324 1 17 GLN H 1 63 LEU QD . . 6.420 3.464 2.848 4.701 . 0 0 "[ . 1 . 2]" 1
325 1 17 GLN H 1 64 SER HA . . 5.500 4.959 4.058 5.508 0.008 3 0 "[ . 1 . 2]" 1
326 1 17 GLN H 1 65 LYS H . . 5.500 5.337 4.790 5.582 0.082 8 0 "[ . 1 . 2]" 1
327 1 17 GLN H 1 67 LEU QD . . 6.420 4.990 4.583 5.531 . 0 0 "[ . 1 . 2]" 1
328 1 17 GLN H 1 70 LEU QD . . 6.420 4.953 4.657 5.275 . 0 0 "[ . 1 . 2]" 1
329 1 17 GLN HA 1 19 VAL H . . 5.500 4.152 3.946 4.419 . 0 0 "[ . 1 . 2]" 1
330 1 17 GLN HA 1 20 LEU H . . 5.100 3.338 3.207 3.487 . 0 0 "[ . 1 . 2]" 1
331 1 17 GLN HA 1 20 LEU HA . . 5.500 5.469 5.101 5.607 0.107 6 0 "[ . 1 . 2]" 1
332 1 17 GLN HA 1 20 LEU QB . . 4.180 3.019 2.440 3.279 . 0 0 "[ . 1 . 2]" 1
333 1 17 GLN HA 1 21 ASP H . . 5.500 4.425 3.949 4.804 . 0 0 "[ . 1 . 2]" 1
334 1 17 GLN HA 1 63 LEU HA . . 5.130 4.193 3.631 4.817 . 0 0 "[ . 1 . 2]" 1
335 1 17 GLN HA 1 63 LEU QB . . 5.340 3.786 2.741 4.259 . 0 0 "[ . 1 . 2]" 1
336 1 17 GLN HA 1 63 LEU QD . . 6.420 2.812 2.056 3.940 . 0 0 "[ . 1 . 2]" 1
337 1 17 GLN QB 1 18 GLU QG . . 4.760 3.789 3.055 4.877 0.117 8 0 "[ . 1 . 2]" 1
338 1 17 GLN QB 1 19 VAL H . . 5.340 4.767 4.615 5.049 . 0 0 "[ . 1 . 2]" 1
339 1 17 GLN QB 1 21 ASP QB . . 6.160 5.458 4.605 6.211 0.051 5 0 "[ . 1 . 2]" 1
340 1 17 GLN QB 1 63 LEU QB . . 4.760 2.100 1.853 2.843 . 0 0 "[ . 1 . 2]" 1
341 1 17 GLN QB 1 63 LEU QD . . 6.190 2.530 1.924 3.536 . 0 0 "[ . 1 . 2]" 1
342 1 17 GLN HB2 1 18 GLU H . . 4.420 3.879 3.631 4.053 . 0 0 "[ . 1 . 2]" 1
343 1 17 GLN HB3 1 18 GLU H . . 4.420 3.117 2.535 4.285 . 0 0 "[ . 1 . 2]" 1
344 1 17 GLN QG 1 63 LEU QB . . 6.160 3.317 2.687 4.091 . 0 0 "[ . 1 . 2]" 1
345 1 18 GLU H 1 18 GLU QB . . 3.600 2.478 2.396 2.569 . 0 0 "[ . 1 . 2]" 1
346 1 18 GLU H 1 18 GLU HG2 . . 5.500 2.853 1.947 4.071 . 0 0 "[ . 1 . 2]" 1
347 1 18 GLU H 1 18 GLU HG3 . . 5.500 2.959 2.075 3.784 . 0 0 "[ . 1 . 2]" 1
348 1 18 GLU H 1 19 VAL H . . 4.040 2.555 2.502 2.599 . 0 0 "[ . 1 . 2]" 1
349 1 18 GLU H 1 19 VAL HB . . 5.500 4.736 4.622 4.887 . 0 0 "[ . 1 . 2]" 1
350 1 18 GLU H 1 19 VAL QG . . 6.420 3.865 3.783 3.974 . 0 0 "[ . 1 . 2]" 1
351 1 18 GLU H 1 20 LEU H . . 5.500 4.154 4.001 4.300 . 0 0 "[ . 1 . 2]" 1
352 1 18 GLU HA 1 21 ASP H . . 4.850 3.441 3.134 3.898 . 0 0 "[ . 1 . 2]" 1
353 1 18 GLU HA 1 21 ASP QB . . 5.580 2.944 2.109 4.457 . 0 0 "[ . 1 . 2]" 1
354 1 18 GLU QB 1 19 VAL H . . 4.390 2.695 2.426 3.547 . 0 0 "[ . 1 . 2]" 1
355 1 18 GLU HB2 1 19 VAL H . . 5.160 2.773 2.470 3.938 . 0 0 "[ . 1 . 2]" 1
356 1 18 GLU HB3 1 19 VAL H . . 5.160 3.763 3.545 4.027 . 0 0 "[ . 1 . 2]" 1
357 1 18 GLU HG2 1 19 VAL H . . 5.500 4.538 2.764 5.331 . 0 0 "[ . 1 . 2]" 1
358 1 18 GLU HG3 1 19 VAL H . . 5.500 4.506 2.725 5.095 . 0 0 "[ . 1 . 2]" 1
359 1 19 VAL H 1 19 VAL HB . . 3.790 2.502 2.447 2.591 . 0 0 "[ . 1 . 2]" 1
360 1 19 VAL H 1 20 LEU H . . 4.170 2.682 2.555 2.774 . 0 0 "[ . 1 . 2]" 1
361 1 19 VAL H 1 20 LEU QB . . 5.340 4.660 4.197 4.810 . 0 0 "[ . 1 . 2]" 1
362 1 19 VAL H 1 21 ASP H . . 5.440 4.225 4.016 4.569 . 0 0 "[ . 1 . 2]" 1
363 1 19 VAL H 1 22 TYR QB . . 6.380 4.714 4.475 5.106 . 0 0 "[ . 1 . 2]" 1
364 1 19 VAL H 1 67 LEU MD1 . . 6.520 4.944 4.470 5.274 . 0 0 "[ . 1 . 2]" 1
365 1 19 VAL H 1 67 LEU MD2 . . 6.520 4.439 4.005 4.957 . 0 0 "[ . 1 . 2]" 1
366 1 19 VAL HA 1 22 TYR H . . 5.250 3.583 3.366 3.862 . 0 0 "[ . 1 . 2]" 1
367 1 19 VAL HB 1 20 LEU H . . 4.200 2.696 2.572 2.866 . 0 0 "[ . 1 . 2]" 1
368 1 19 VAL HB 1 20 LEU HA . . 5.070 4.365 4.250 4.513 . 0 0 "[ . 1 . 2]" 1
369 1 19 VAL HB 1 20 LEU QB . . 5.340 4.614 4.032 4.837 . 0 0 "[ . 1 . 2]" 1
370 1 19 VAL HB 1 23 LEU QD . . 6.420 4.953 3.994 5.837 . 0 0 "[ . 1 . 2]" 1
371 1 19 VAL HB 1 36 ILE MD . . 6.520 3.979 2.801 5.354 . 0 0 "[ . 1 . 2]" 1
372 1 19 VAL HB 1 67 LEU QD . . 6.070 3.482 3.062 3.860 . 0 0 "[ . 1 . 2]" 1
373 1 19 VAL QG 1 20 LEU HA . . 6.420 3.445 3.270 3.633 . 0 0 "[ . 1 . 2]" 1
374 1 19 VAL QG 1 22 TYR QB . . 7.260 3.547 3.245 3.934 . 0 0 "[ . 1 . 2]" 1
375 1 19 VAL QG 1 22 TYR QD . . 8.440 3.934 3.426 4.455 . 0 0 "[ . 1 . 2]" 1
376 1 19 VAL QG 1 22 TYR QE . . 7.740 5.200 4.664 5.701 . 0 0 "[ . 1 . 2]" 1
377 1 19 VAL QG 1 23 LEU QD . . 7.230 2.973 2.153 4.086 . 0 0 "[ . 1 . 2]" 1
378 1 19 VAL QG 1 23 LEU HG . . 6.420 4.194 2.826 5.789 . 0 0 "[ . 1 . 2]" 1
379 1 19 VAL QG 1 36 ILE MD . . 7.390 3.001 2.092 4.220 . 0 0 "[ . 1 . 2]" 1
380 1 19 VAL QG 1 67 LEU QD . . 6.580 1.821 1.730 2.089 . 0 0 "[ . 1 . 2]" 1
381 1 19 VAL QG 1 93 LEU QD . . 7.230 2.828 2.418 3.200 . 0 0 "[ . 1 . 2]" 1
382 1 19 VAL MG1 1 20 LEU H . . 6.520 3.477 3.365 3.559 . 0 0 "[ . 1 . 2]" 1
383 1 19 VAL MG1 1 22 TYR H . . 6.520 4.796 4.374 5.065 . 0 0 "[ . 1 . 2]" 1
384 1 19 VAL MG2 1 20 LEU H . . 6.520 3.882 3.760 3.992 . 0 0 "[ . 1 . 2]" 1
385 1 19 VAL MG2 1 22 TYR H . . 6.520 5.293 5.156 5.500 . 0 0 "[ . 1 . 2]" 1
386 1 20 LEU H 1 20 LEU HG . . 5.500 3.534 2.086 4.475 . 0 0 "[ . 1 . 2]" 1
387 1 20 LEU H 1 21 ASP H . . 4.420 2.642 2.511 2.758 . 0 0 "[ . 1 . 2]" 1
388 1 20 LEU H 1 23 LEU H . . 5.500 4.748 4.557 5.076 . 0 0 "[ . 1 . 2]" 1
389 1 20 LEU HA 1 22 TYR H . . 5.500 4.353 4.109 4.548 . 0 0 "[ . 1 . 2]" 1
390 1 20 LEU HA 1 23 LEU H . . 5.500 3.391 3.069 3.626 . 0 0 "[ . 1 . 2]" 1
391 1 20 LEU HA 1 23 LEU QB . . 4.290 2.687 2.151 3.595 . 0 0 "[ . 1 . 2]" 1
392 1 20 LEU HA 1 23 LEU QD . . 6.420 2.949 2.351 4.631 . 0 0 "[ . 1 . 2]" 1
393 1 20 LEU HA 1 23 LEU HG . . 5.500 4.304 2.346 5.438 . 0 0 "[ . 1 . 2]" 1
394 1 20 LEU HA 1 36 ILE MD . . 6.520 4.246 3.391 5.011 . 0 0 "[ . 1 . 2]" 1
395 1 20 LEU QB 1 21 ASP H . . 4.010 2.549 2.417 2.753 . 0 0 "[ . 1 . 2]" 1
396 1 20 LEU QB 1 36 ILE MD . . 6.290 4.733 4.119 5.607 . 0 0 "[ . 1 . 2]" 1
397 1 20 LEU QB 1 48 TYR QE . . 6.170 4.065 2.826 4.874 . 0 0 "[ . 1 . 2]" 1
398 1 20 LEU QB 1 63 LEU QD . . 5.720 4.179 2.966 5.146 . 0 0 "[ . 1 . 2]" 1
399 1 20 LEU HB2 1 21 ASP H . . 4.820 2.820 2.455 3.861 . 0 0 "[ . 1 . 2]" 1
400 1 20 LEU HB3 1 21 ASP H . . 4.820 3.347 2.510 3.730 . 0 0 "[ . 1 . 2]" 1
401 1 20 LEU QD 1 21 ASP HA . . 6.420 4.996 4.109 5.263 . 0 0 "[ . 1 . 2]" 1
402 1 20 LEU QD 1 22 TYR H . . 6.420 5.160 4.879 5.506 . 0 0 "[ . 1 . 2]" 1
403 1 20 LEU QD 1 23 LEU H . . 6.420 4.714 4.164 5.269 . 0 0 "[ . 1 . 2]" 1
404 1 20 LEU QD 1 34 PRO QB . . 6.190 4.198 2.971 6.186 . 0 0 "[ . 1 . 2]" 1
405 1 20 LEU QD 1 34 PRO QD . . 6.190 3.316 2.137 4.578 . 0 0 "[ . 1 . 2]" 1
406 1 20 LEU QD 1 36 ILE H . . 6.420 4.132 3.240 6.463 0.043 8 0 "[ . 1 . 2]" 1
407 1 20 LEU QD 1 36 ILE MD . . 6.560 2.481 1.778 4.705 . 0 0 "[ . 1 . 2]" 1
408 1 20 LEU QD 1 48 TYR QD . . 7.940 2.451 1.896 3.688 . 0 0 "[ . 1 . 2]" 1
409 1 20 LEU MD1 1 21 ASP H . . 6.520 4.400 3.944 4.716 . 0 0 "[ . 1 . 2]" 1
410 1 20 LEU MD1 1 36 ILE QG . . 7.400 3.678 2.360 5.880 . 0 0 "[ . 1 . 2]" 1
411 1 20 LEU MD2 1 21 ASP H . . 6.520 4.371 3.935 4.796 . 0 0 "[ . 1 . 2]" 1
412 1 20 LEU MD2 1 36 ILE QG . . 7.400 3.781 2.312 7.431 0.031 8 0 "[ . 1 . 2]" 1
413 1 20 LEU HG 1 21 ASP H . . 5.500 4.609 3.494 5.167 . 0 0 "[ . 1 . 2]" 1
414 1 21 ASP H 1 22 TYR H . . 4.380 2.622 2.503 2.754 . 0 0 "[ . 1 . 2]" 1
415 1 21 ASP H 1 22 TYR QB . . 6.380 4.333 4.154 4.476 . 0 0 "[ . 1 . 2]" 1
416 1 21 ASP H 1 23 LEU H . . 5.470 3.992 3.822 4.212 . 0 0 "[ . 1 . 2]" 1
417 1 21 ASP HA 1 23 LEU H . . 5.070 4.127 3.832 4.446 . 0 0 "[ . 1 . 2]" 1
418 1 21 ASP QB 1 22 TYR H . . 5.700 2.626 2.246 3.562 . 0 0 "[ . 1 . 2]" 1
419 1 22 TYR H 1 23 LEU H . . 4.260 2.611 2.531 2.720 . 0 0 "[ . 1 . 2]" 1
420 1 22 TYR QB 1 23 LEU H . . 5.640 2.960 2.665 3.196 . 0 0 "[ . 1 . 2]" 1
421 1 22 TYR QB 1 23 LEU HG . . 6.380 5.583 3.776 6.419 0.039 17 0 "[ . 1 . 2]" 1
422 1 22 TYR QD 1 23 LEU H . . 7.630 3.904 3.467 4.217 . 0 0 "[ . 1 . 2]" 1
423 1 22 TYR QD 1 23 LEU HA . . 6.450 3.218 2.789 3.628 . 0 0 "[ . 1 . 2]" 1
424 1 22 TYR QD 1 23 LEU QD . . 6.470 4.069 2.626 5.278 . 0 0 "[ . 1 . 2]" 1
425 1 22 TYR QD 1 23 LEU HG . . 6.200 5.249 4.072 5.888 . 0 0 "[ . 1 . 2]" 1
426 1 22 TYR QE 1 23 LEU QD . . 7.300 5.104 3.941 6.227 . 0 0 "[ . 1 . 2]" 1
427 1 22 TYR QE 1 23 LEU HG . . 7.080 6.744 5.776 7.134 0.054 14 0 "[ . 1 . 2]" 1
428 1 23 LEU H 1 23 LEU QB . . 3.680 2.209 2.077 2.522 . 0 0 "[ . 1 . 2]" 1
429 1 23 LEU H 1 23 LEU HG . . 4.910 3.965 2.337 4.538 . 0 0 "[ . 1 . 2]" 1
430 1 23 LEU H 1 24 THR MG . . 6.520 6.295 5.294 6.442 . 0 0 "[ . 1 . 2]" 1
431 1 23 LEU QB 1 24 THR H . . 4.460 1.952 1.771 2.334 . 0 0 "[ . 1 . 2]" 1
432 1 23 LEU HB2 1 25 ASN H . . 5.500 5.360 4.511 5.638 0.138 16 0 "[ . 1 . 2]" 1
433 1 23 LEU HB3 1 25 ASN H . . 5.500 4.443 4.012 5.535 0.035 7 0 "[ . 1 . 2]" 1
434 1 23 LEU QD 1 24 THR H . . 6.420 3.303 2.788 3.894 . 0 0 "[ . 1 . 2]" 1
435 1 23 LEU QD 1 91 PHE QD . . 8.200 3.796 2.985 4.401 . 0 0 "[ . 1 . 2]" 1
436 1 23 LEU QD 1 91 PHE QE . . 7.880 2.828 2.086 3.386 . 0 0 "[ . 1 . 2]" 1
437 1 23 LEU QD 1 91 PHE HZ . . 5.880 2.853 2.102 3.531 . 0 0 "[ . 1 . 2]" 1
438 1 23 LEU HG 1 24 THR H . . 5.500 4.194 3.187 4.931 . 0 0 "[ . 1 . 2]" 1
439 1 23 LEU HG 1 91 PHE QE . . 7.040 4.474 2.463 6.321 . 0 0 "[ . 1 . 2]" 1
440 1 24 THR H 1 25 ASN H . . 3.920 2.511 2.396 2.658 . 0 0 "[ . 1 . 2]" 1
441 1 24 THR H 1 25 ASN QB . . 5.340 4.880 4.657 5.169 . 0 0 "[ . 1 . 2]" 1
442 1 24 THR HB 1 25 ASN H . . 4.290 2.128 1.964 2.922 . 0 0 "[ . 1 . 2]" 1
443 1 24 THR HB 1 25 ASN QB . . 5.340 3.715 3.459 4.212 . 0 0 "[ . 1 . 2]" 1
444 1 24 THR MG 1 25 ASN H . . 6.520 3.019 2.755 3.788 . 0 0 "[ . 1 . 2]" 1
445 1 24 THR MG 1 34 PRO HD2 . . 6.520 6.261 4.834 6.565 0.045 6 0 "[ . 1 . 2]" 1
446 1 24 THR MG 1 34 PRO HD3 . . 6.520 5.824 4.468 6.359 . 0 0 "[ . 1 . 2]" 1
447 1 25 ASN H 1 25 ASN QB . . 3.650 2.625 2.461 2.774 . 0 0 "[ . 1 . 2]" 1
448 1 25 ASN HB2 1 26 SER H . . 5.500 3.997 3.832 4.127 . 0 0 "[ . 1 . 2]" 1
449 1 25 ASN HB3 1 26 SER H . . 5.500 3.293 2.716 4.195 . 0 0 "[ . 1 . 2]" 1
450 1 26 SER H 1 27 ALA H . . 5.470 2.652 2.533 2.874 . 0 0 "[ . 1 . 2]" 1
451 1 26 SER H 1 29 LEU H . . 5.500 4.578 4.373 4.856 . 0 0 "[ . 1 . 2]" 1
452 1 26 SER H 1 29 LEU QD . . 6.420 5.027 4.760 5.745 . 0 0 "[ . 1 . 2]" 1
453 1 26 SER HA 1 27 ALA HA . . 4.450 4.486 4.420 4.511 0.061 5 0 "[ . 1 . 2]" 1
454 1 26 SER HA 1 27 ALA MB . . 6.520 4.904 4.838 4.992 . 0 0 "[ . 1 . 2]" 1
455 1 26 SER QB 1 27 ALA H . . 6.380 2.379 2.202 3.134 . 0 0 "[ . 1 . 2]" 1
456 1 26 SER QB 1 27 ALA MB . . 7.400 3.317 3.134 3.642 . 0 0 "[ . 1 . 2]" 1
457 1 26 SER QB 1 28 SER H . . 6.380 4.547 4.268 5.170 . 0 0 "[ . 1 . 2]" 1
458 1 26 SER QB 1 29 LEU H . . 6.380 5.162 4.981 5.438 . 0 0 "[ . 1 . 2]" 1
459 1 26 SER QB 1 29 LEU HB2 . . 6.380 6.347 6.163 6.513 0.133 20 0 "[ . 1 . 2]" 1
460 1 26 SER QB 1 29 LEU HB3 . . 6.380 5.503 5.222 6.222 . 0 0 "[ . 1 . 2]" 1
461 1 26 SER QB 1 30 GLN H . . 6.380 6.183 5.797 6.466 0.086 11 0 "[ . 1 . 2]" 1
462 1 26 SER QB 1 30 GLN HA . . 6.380 6.375 5.836 6.525 0.145 6 0 "[ . 1 . 2]" 1
463 1 27 ALA H 1 28 SER H . . 4.820 2.409 2.274 2.559 . 0 0 "[ . 1 . 2]" 1
464 1 27 ALA H 1 29 LEU H . . 5.500 3.743 3.634 3.855 . 0 0 "[ . 1 . 2]" 1
465 1 27 ALA HA 1 29 LEU H . . 5.500 3.962 3.715 4.509 . 0 0 "[ . 1 . 2]" 1
466 1 27 ALA HA 1 30 GLN QG . . 5.340 2.826 2.038 3.782 . 0 0 "[ . 1 . 2]" 1
467 1 27 ALA MB 1 28 SER H . . 6.520 2.731 2.586 2.882 . 0 0 "[ . 1 . 2]" 1
468 1 27 ALA MB 1 28 SER QB . . 7.400 4.305 3.807 4.458 . 0 0 "[ . 1 . 2]" 1
469 1 27 ALA MB 1 29 LEU H . . 6.520 4.327 4.228 4.509 . 0 0 "[ . 1 . 2]" 1
470 1 28 SER H 1 29 LEU H . . 4.110 2.401 2.292 2.506 . 0 0 "[ . 1 . 2]" 1
471 1 28 SER H 1 29 LEU HA . . 5.000 5.005 4.906 5.058 0.058 6 0 "[ . 1 . 2]" 1
472 1 28 SER H 1 29 LEU HB2 . . 5.160 4.526 4.123 4.746 . 0 0 "[ . 1 . 2]" 1
473 1 28 SER H 1 29 LEU QB . . 4.410 4.071 3.899 4.216 . 0 0 "[ . 1 . 2]" 1
474 1 28 SER H 1 29 LEU HB3 . . 5.160 4.631 4.482 4.962 . 0 0 "[ . 1 . 2]" 1
475 1 28 SER QB 1 29 LEU H . . 6.170 3.055 2.850 3.276 . 0 0 "[ . 1 . 2]" 1
476 1 28 SER QB 1 29 LEU QB . . 6.160 3.717 3.447 3.934 . 0 0 "[ . 1 . 2]" 1
477 1 28 SER QB 1 29 LEU QD . . 7.260 4.409 3.723 4.671 . 0 0 "[ . 1 . 2]" 1
478 1 28 SER QB 1 29 LEU HG . . 6.380 6.223 5.460 6.404 0.024 16 0 "[ . 1 . 2]" 1
479 1 29 LEU H 1 29 LEU HG . . 5.310 4.476 4.393 4.595 . 0 0 "[ . 1 . 2]" 1
480 1 29 LEU H 1 30 GLN H . . 4.110 2.493 2.149 2.701 . 0 0 "[ . 1 . 2]" 1
481 1 29 LEU H 1 30 GLN HG2 . . 5.500 4.852 3.747 5.552 0.052 14 0 "[ . 1 . 2]" 1
482 1 29 LEU H 1 30 GLN HG3 . . 5.500 4.745 3.536 5.694 0.194 17 0 "[ . 1 . 2]" 1
483 1 29 LEU QB 1 30 GLN H . . 4.290 3.543 3.324 3.672 . 0 0 "[ . 1 . 2]" 1
484 1 29 LEU QB 1 31 MET H . . 5.340 5.203 4.665 5.365 0.025 6 0 "[ . 1 . 2]" 1
485 1 29 LEU QB 1 32 LYS QB . . 5.180 3.940 3.680 4.509 . 0 0 "[ . 1 . 2]" 1
486 1 29 LEU QD 1 30 GLN H . . 6.420 4.420 4.091 4.503 . 0 0 "[ . 1 . 2]" 1
487 1 29 LEU QD 1 31 MET H . . 6.420 4.825 3.792 5.053 . 0 0 "[ . 1 . 2]" 1
488 1 29 LEU QD 1 32 LYS QB . . 5.720 2.024 1.826 2.584 . 0 0 "[ . 1 . 2]" 1
489 1 29 LEU MD1 1 32 LYS H . . 6.520 3.750 2.758 3.961 . 0 0 "[ . 1 . 2]" 1
490 1 29 LEU MD2 1 32 LYS H . . 6.520 5.578 3.839 5.909 . 0 0 "[ . 1 . 2]" 1
491 1 29 LEU HG 1 32 LYS H . . 5.500 4.456 3.882 5.608 0.108 10 0 "[ . 1 . 2]" 1
492 1 29 LEU HG 1 32 LYS QB . . 5.190 3.665 2.867 4.319 . 0 0 "[ . 1 . 2]" 1
493 1 29 LEU HG 1 33 SER H . . 5.500 3.708 3.092 5.516 0.016 10 0 "[ . 1 . 2]" 1
494 1 30 GLN H 1 30 GLN HG2 . . 5.500 3.189 2.015 4.171 . 0 0 "[ . 1 . 2]" 1
495 1 30 GLN H 1 30 GLN HG3 . . 5.500 2.891 1.984 4.246 . 0 0 "[ . 1 . 2]" 1
496 1 30 GLN H 1 31 MET H . . 4.540 2.839 2.640 2.983 . 0 0 "[ . 1 . 2]" 1
497 1 30 GLN H 1 31 MET HA . . 5.500 5.419 5.276 5.503 0.003 13 0 "[ . 1 . 2]" 1
498 1 30 GLN H 1 31 MET QG . . 6.380 5.292 4.405 6.475 0.095 3 0 "[ . 1 . 2]" 1
499 1 30 GLN HB2 1 31 MET H . . 5.500 3.495 2.621 4.134 . 0 0 "[ . 1 . 2]" 1
500 1 30 GLN HB3 1 31 MET H . . 5.500 3.890 2.603 4.555 . 0 0 "[ . 1 . 2]" 1
501 1 30 GLN HG2 1 31 MET H . . 5.500 4.559 3.037 5.179 . 0 0 "[ . 1 . 2]" 1
502 1 30 GLN HG3 1 31 MET H . . 5.500 4.038 2.402 5.394 . 0 0 "[ . 1 . 2]" 1
503 1 31 MET HA 1 33 SER H . . 5.500 3.482 3.137 3.755 . 0 0 "[ . 1 . 2]" 1
504 1 31 MET HB2 1 32 LYS H . . 5.440 3.745 2.862 4.181 . 0 0 "[ . 1 . 2]" 1
505 1 31 MET HB2 1 33 SER H . . 5.500 5.145 4.881 5.521 0.021 17 0 "[ . 1 . 2]" 1
506 1 31 MET HB3 1 32 LYS H . . 5.440 3.620 2.774 4.233 . 0 0 "[ . 1 . 2]" 1
507 1 31 MET HB3 1 33 SER H . . 5.500 5.127 4.790 5.530 0.030 19 0 "[ . 1 . 2]" 1
508 1 31 MET QG 1 32 LYS H . . 6.380 3.463 2.408 4.145 . 0 0 "[ . 1 . 2]" 1
509 1 31 MET QG 1 32 LYS HA . . 6.380 4.220 3.475 5.873 . 0 0 "[ . 1 . 2]" 1
510 1 31 MET QG 1 32 LYS QE . . 7.260 4.997 3.319 7.287 0.027 9 0 "[ . 1 . 2]" 1
511 1 31 MET QG 1 32 LYS QG . . 5.380 3.556 2.094 4.859 . 0 0 "[ . 1 . 2]" 1
512 1 31 MET QG 1 33 SER H . . 6.380 4.852 4.361 5.673 . 0 0 "[ . 1 . 2]" 1
513 1 32 LYS H 1 32 LYS QE . . 6.380 4.608 3.737 5.396 . 0 0 "[ . 1 . 2]" 1
514 1 32 LYS H 1 32 LYS HG2 . . 5.500 3.633 3.455 3.737 . 0 0 "[ . 1 . 2]" 1
515 1 32 LYS H 1 32 LYS HG3 . . 5.500 2.494 2.303 2.646 . 0 0 "[ . 1 . 2]" 1
516 1 32 LYS H 1 33 SER H . . 4.510 2.648 2.429 2.863 . 0 0 "[ . 1 . 2]" 1
517 1 32 LYS H 1 83 VAL QG . . 6.420 4.677 4.126 5.141 . 0 0 "[ . 1 . 2]" 1
518 1 32 LYS H 1 84 THR MG . . 6.520 6.220 5.550 6.566 0.046 10 0 "[ . 1 . 2]" 1
519 1 32 LYS QB 1 83 VAL H . . 5.340 5.302 5.092 5.374 0.034 16 0 "[ . 1 . 2]" 1
520 1 32 LYS HB2 1 33 SER H . . 5.190 3.716 3.492 3.905 . 0 0 "[ . 1 . 2]" 1
521 1 32 LYS HB3 1 33 SER H . . 5.190 4.312 4.197 4.366 . 0 0 "[ . 1 . 2]" 1
522 1 32 LYS QD 1 33 SER H . . 6.380 5.591 5.334 5.946 . 0 0 "[ . 1 . 2]" 1
523 1 32 LYS HG2 1 33 SER H . . 5.500 5.265 5.153 5.394 . 0 0 "[ . 1 . 2]" 1
524 1 32 LYS HG3 1 33 SER H . . 5.500 4.798 4.538 4.983 . 0 0 "[ . 1 . 2]" 1
525 1 33 SER H 1 34 PRO HD2 . . 5.500 4.803 4.549 5.172 . 0 0 "[ . 1 . 2]" 1
526 1 33 SER H 1 34 PRO HD3 . . 5.500 4.845 4.514 5.260 . 0 0 "[ . 1 . 2]" 1
527 1 33 SER H 1 83 VAL QG . . 6.420 4.113 3.431 4.694 . 0 0 "[ . 1 . 2]" 1
528 1 33 SER H 1 84 THR MG . . 6.520 6.399 5.777 6.588 0.068 1 0 "[ . 1 . 2]" 1
529 1 33 SER QB 1 83 VAL QG . . 5.360 4.789 4.076 5.379 0.019 20 0 "[ . 1 . 2]" 1
530 1 34 PRO HA 1 80 VAL QG . . 6.420 4.020 3.242 4.968 . 0 0 "[ . 1 . 2]" 1
531 1 34 PRO QB 1 80 VAL QG . . 6.190 2.073 1.804 2.938 . 0 0 "[ . 1 . 2]" 1
532 1 34 PRO QB 1 81 ALA H . . 5.340 3.662 3.387 4.446 . 0 0 "[ . 1 . 2]" 1
533 1 34 PRO QB 1 82 ASP HA . . 5.340 2.653 2.020 3.886 . 0 0 "[ . 1 . 2]" 1
534 1 34 PRO QB 1 82 ASP QB . . 4.760 2.846 2.160 4.147 . 0 0 "[ . 1 . 2]" 1
535 1 35 ALA H 1 80 VAL HA . . 5.500 4.443 3.961 4.758 . 0 0 "[ . 1 . 2]" 1
536 1 35 ALA H 1 80 VAL QG . . 6.420 3.462 2.582 4.398 . 0 0 "[ . 1 . 2]" 1
537 1 35 ALA H 1 81 ALA H . . 4.540 3.001 2.650 3.452 . 0 0 "[ . 1 . 2]" 1
538 1 35 ALA H 1 81 ALA MB . . 6.460 3.587 3.277 4.093 . 0 0 "[ . 1 . 2]" 1
539 1 35 ALA H 1 82 ASP HA . . 4.630 3.312 2.787 3.516 . 0 0 "[ . 1 . 2]" 1
540 1 35 ALA H 1 82 ASP QB . . 5.340 4.844 4.395 5.337 . 0 0 "[ . 1 . 2]" 1
541 1 35 ALA H 1 83 VAL H . . 5.500 5.118 4.691 5.361 . 0 0 "[ . 1 . 2]" 1
542 1 35 ALA MB 1 36 ILE H . . 6.520 2.921 2.741 3.054 . 0 0 "[ . 1 . 2]" 1
543 1 35 ALA MB 1 81 ALA H . . 6.520 3.534 3.075 4.067 . 0 0 "[ . 1 . 2]" 1
544 1 36 ILE H 1 48 TYR H . . 5.340 3.439 2.871 4.035 . 0 0 "[ . 1 . 2]" 1
545 1 36 ILE H 1 80 VAL QG . . 6.420 4.144 3.752 4.649 . 0 0 "[ . 1 . 2]" 1
546 1 36 ILE HB 1 37 THR H . . 5.500 3.886 2.974 4.262 . 0 0 "[ . 1 . 2]" 1
547 1 36 ILE HB 1 47 LEU QB . . 5.340 3.205 2.173 5.012 . 0 0 "[ . 1 . 2]" 1
548 1 36 ILE HB 1 48 TYR H . . 5.500 3.864 2.646 5.347 . 0 0 "[ . 1 . 2]" 1
549 1 36 ILE HB 1 48 TYR QB . . 5.340 3.277 1.847 4.763 . 0 0 "[ . 1 . 2]" 1
550 1 36 ILE MD 1 37 THR H . . 6.520 5.048 4.832 5.213 . 0 0 "[ . 1 . 2]" 1
551 1 36 ILE MD 1 48 TYR HA . . 6.520 4.880 3.686 6.530 0.010 13 0 "[ . 1 . 2]" 1
552 1 36 ILE MD 1 48 TYR QB . . 6.290 3.466 2.058 5.315 . 0 0 "[ . 1 . 2]" 1
553 1 36 ILE MD 1 80 VAL QG . . 7.390 3.085 2.168 4.185 . 0 0 "[ . 1 . 2]" 1
554 1 36 ILE QG 1 48 TYR HA . . 6.380 5.033 3.039 6.407 0.027 13 0 "[ . 1 . 2]" 1
555 1 36 ILE QG 1 48 TYR QD . . 8.510 3.953 2.981 5.560 . 0 0 "[ . 1 . 2]" 1
556 1 36 ILE QG 1 78 LEU QD . . 7.260 3.831 2.769 5.136 . 0 0 "[ . 1 . 2]" 1
557 1 36 ILE MG 1 37 THR H . . 6.520 2.972 2.473 3.965 . 0 0 "[ . 1 . 2]" 1
558 1 36 ILE MG 1 48 TYR QD . . 8.650 5.034 2.951 6.063 . 0 0 "[ . 1 . 2]" 1
559 1 36 ILE MG 1 78 LEU H . . 6.520 5.405 4.633 6.484 . 0 0 "[ . 1 . 2]" 1
560 1 36 ILE MG 1 78 LEU HA . . 6.520 4.230 3.437 5.941 . 0 0 "[ . 1 . 2]" 1
561 1 36 ILE MG 1 78 LEU QB . . 6.290 2.558 1.800 4.323 . 0 0 "[ . 1 . 2]" 1
562 1 36 ILE MG 1 79 ALA H . . 6.520 3.857 3.034 5.527 . 0 0 "[ . 1 . 2]" 1
563 1 36 ILE MG 1 80 VAL H . . 6.520 4.611 3.908 5.510 . 0 0 "[ . 1 . 2]" 1
564 1 36 ILE MG 1 81 ALA H . . 6.520 4.930 3.356 5.768 . 0 0 "[ . 1 . 2]" 1
565 1 37 THR H 1 78 LEU QB . . 5.340 4.356 3.868 5.413 0.073 16 0 "[ . 1 . 2]" 1
566 1 37 THR H 1 79 ALA H . . 4.690 3.324 2.856 3.833 . 0 0 "[ . 1 . 2]" 1
567 1 37 THR H 1 79 ALA MB . . 6.520 3.467 3.168 3.882 . 0 0 "[ . 1 . 2]" 1
568 1 37 THR H 1 80 VAL HA . . 5.070 3.440 3.115 4.127 . 0 0 "[ . 1 . 2]" 1
569 1 37 THR H 1 80 VAL QG . . 6.420 4.038 3.392 4.879 . 0 0 "[ . 1 . 2]" 1
570 1 37 THR H 1 81 ALA H . . 5.500 4.707 4.439 5.022 . 0 0 "[ . 1 . 2]" 1
571 1 37 THR HA 1 46 THR HA . . 4.320 2.590 1.895 3.955 . 0 0 "[ . 1 . 2]" 1
572 1 37 THR HA 1 47 LEU H . . 4.260 2.615 2.174 3.098 . 0 0 "[ . 1 . 2]" 1
573 1 37 THR HB 1 38 ALA H . . 4.140 3.973 3.836 4.111 . 0 0 "[ . 1 . 2]" 1
574 1 37 THR HB 1 79 ALA H . . 5.500 4.399 3.539 5.232 . 0 0 "[ . 1 . 2]" 1
575 1 37 THR HB 1 79 ALA MB . . 6.520 3.220 2.062 3.872 . 0 0 "[ . 1 . 2]" 1
576 1 37 THR MG 1 38 ALA H . . 6.520 2.451 2.277 2.544 . 0 0 "[ . 1 . 2]" 1
577 1 37 THR MG 1 44 ASN HB2 . . 6.520 3.372 1.928 4.801 . 0 0 "[ . 1 . 2]" 1
578 1 37 THR MG 1 44 ASN HB3 . . 6.520 3.184 2.008 4.859 . 0 0 "[ . 1 . 2]" 1
579 1 37 THR MG 1 45 ARG H . . 6.520 3.291 2.962 3.881 . 0 0 "[ . 1 . 2]" 1
580 1 37 THR MG 1 46 THR H . . 6.520 3.949 3.214 5.495 . 0 0 "[ . 1 . 2]" 1
581 1 37 THR MG 1 46 THR HB . . 6.520 4.312 2.716 6.423 . 0 0 "[ . 1 . 2]" 1
582 1 37 THR MG 1 47 LEU H . . 6.520 3.947 3.410 4.498 . 0 0 "[ . 1 . 2]" 1
583 1 37 THR MG 1 48 TYR H . . 6.520 5.142 4.361 5.740 . 0 0 "[ . 1 . 2]" 1
584 1 38 ALA H 1 45 ARG H . . 4.850 3.300 3.019 3.515 . 0 0 "[ . 1 . 2]" 1
585 1 38 ALA H 1 45 ARG HA . . 5.500 4.947 4.750 5.223 . 0 0 "[ . 1 . 2]" 1
586 1 38 ALA H 1 45 ARG QB . . 6.380 3.583 3.283 4.003 . 0 0 "[ . 1 . 2]" 1
587 1 38 ALA H 1 47 LEU MD1 . . 6.520 3.530 2.286 4.830 . 0 0 "[ . 1 . 2]" 1
588 1 38 ALA H 1 47 LEU MD2 . . 6.520 3.849 2.269 5.235 . 0 0 "[ . 1 . 2]" 1
589 1 38 ALA H 1 47 LEU HG . . 5.500 4.329 2.746 5.399 . 0 0 "[ . 1 . 2]" 1
590 1 38 ALA H 1 48 TYR H . . 5.500 5.592 5.391 5.706 0.206 14 0 "[ . 1 . 2]" 1
591 1 38 ALA H 1 78 LEU QD . . 6.420 4.589 3.481 5.468 . 0 0 "[ . 1 . 2]" 1
592 1 38 ALA HA 1 40 LEU QD . . 6.420 6.017 4.079 6.468 0.048 17 0 "[ . 1 . 2]" 1
593 1 38 ALA HA 1 78 LEU QD . . 6.420 3.802 2.536 4.735 . 0 0 "[ . 1 . 2]" 1
594 1 38 ALA HA 1 79 ALA H . . 4.970 3.194 2.802 3.942 . 0 0 "[ . 1 . 2]" 1
595 1 38 ALA MB 1 39 THR H . . 6.360 2.771 2.635 2.926 . 0 0 "[ . 1 . 2]" 1
596 1 38 ALA MB 1 40 LEU QD . . 7.390 3.922 2.272 4.426 . 0 0 "[ . 1 . 2]" 1
597 1 38 ALA MB 1 45 ARG H . . 6.520 3.886 3.549 4.127 . 0 0 "[ . 1 . 2]" 1
598 1 38 ALA MB 1 45 ARG QB . . 7.400 3.105 2.328 3.703 . 0 0 "[ . 1 . 2]" 1
599 1 38 ALA MB 1 47 LEU MD1 . . 7.540 2.436 1.908 3.936 . 0 0 "[ . 1 . 2]" 1
600 1 38 ALA MB 1 47 LEU MD2 . . 7.540 2.792 1.861 4.286 . 0 0 "[ . 1 . 2]" 1
601 1 38 ALA MB 1 47 LEU HG . . 5.960 3.637 2.623 4.501 . 0 0 "[ . 1 . 2]" 1
602 1 38 ALA MB 1 76 GLN QG . . 7.400 3.810 2.678 5.373 . 0 0 "[ . 1 . 2]" 1
603 1 38 ALA MB 1 78 LEU QD . . 7.390 2.426 1.788 3.247 . 0 0 "[ . 1 . 2]" 1
604 1 39 THR H 1 39 THR HB . . 4.010 3.165 2.506 3.713 . 0 0 "[ . 1 . 2]" 1
605 1 39 THR H 1 40 LEU HA . . 5.500 5.036 4.794 5.164 . 0 0 "[ . 1 . 2]" 1
606 1 39 THR H 1 78 LEU QD . . 6.420 4.976 3.823 5.657 . 0 0 "[ . 1 . 2]" 1
607 1 39 THR HA 1 40 LEU H . . 3.480 2.103 2.033 2.151 . 0 0 "[ . 1 . 2]" 1
608 1 39 THR HA 1 43 LYS H . . 5.410 4.518 4.284 4.783 . 0 0 "[ . 1 . 2]" 1
609 1 39 THR HA 1 45 ARG H . . 4.450 2.944 2.536 3.248 . 0 0 "[ . 1 . 2]" 1
610 1 39 THR HB 1 40 LEU H . . 5.220 3.761 3.165 4.224 . 0 0 "[ . 1 . 2]" 1
611 1 39 THR MG 1 40 LEU H . . 6.520 3.574 2.772 4.069 . 0 0 "[ . 1 . 2]" 1
612 1 39 THR MG 1 42 GLY H . . 6.520 4.172 2.469 5.475 . 0 0 "[ . 1 . 2]" 1
613 1 39 THR MG 1 42 GLY HA2 . . 6.520 4.018 2.522 5.153 . 0 0 "[ . 1 . 2]" 1
614 1 39 THR MG 1 42 GLY HA3 . . 6.520 5.338 3.821 6.489 . 0 0 "[ . 1 . 2]" 1
615 1 39 THR MG 1 43 LYS H . . 6.520 4.487 3.179 5.453 . 0 0 "[ . 1 . 2]" 1
616 1 39 THR MG 1 44 ASN H . . 6.520 4.649 3.623 6.479 . 0 0 "[ . 1 . 2]" 1
617 1 40 LEU H 1 40 LEU HG . . 5.500 4.334 2.438 4.934 . 0 0 "[ . 1 . 2]" 1
618 1 40 LEU H 1 43 LYS H . . 4.630 3.114 3.010 3.258 . 0 0 "[ . 1 . 2]" 1
619 1 40 LEU H 1 43 LYS QB . . 6.380 3.682 3.324 4.203 . 0 0 "[ . 1 . 2]" 1
620 1 40 LEU H 1 45 ARG H . . 5.500 3.672 3.472 3.987 . 0 0 "[ . 1 . 2]" 1
621 1 40 LEU H 1 45 ARG QB . . 6.380 3.950 3.393 4.985 . 0 0 "[ . 1 . 2]" 1
622 1 40 LEU HA 1 41 GLU HA . . 5.500 4.349 4.240 4.422 . 0 0 "[ . 1 . 2]" 1
623 1 40 LEU HA 1 42 GLY H . . 5.500 3.755 3.464 3.885 . 0 0 "[ . 1 . 2]" 1
624 1 40 LEU HB2 1 41 GLU H . . 5.500 4.230 3.255 4.479 . 0 0 "[ . 1 . 2]" 1
625 1 40 LEU HB3 1 41 GLU H . . 5.500 4.156 3.448 4.364 . 0 0 "[ . 1 . 2]" 1
626 1 40 LEU QD 1 41 GLU H . . 6.420 2.883 2.165 4.404 . 0 0 "[ . 1 . 2]" 1
627 1 40 LEU QD 1 41 GLU QG . . 7.260 3.539 1.821 4.921 . 0 0 "[ . 1 . 2]" 1
628 1 40 LEU QD 1 45 ARG QB . . 7.260 3.469 1.943 4.828 . 0 0 "[ . 1 . 2]" 1
629 1 40 LEU QD 1 45 ARG QD . . 7.260 3.540 2.281 5.272 . 0 0 "[ . 1 . 2]" 1
630 1 40 LEU QD 1 71 GLY QA . . 6.190 3.531 1.929 5.241 . 0 0 "[ . 1 . 2]" 1
631 1 40 LEU HG 1 41 GLU H . . 5.500 4.003 3.083 5.282 . 0 0 "[ . 1 . 2]" 1
632 1 40 LEU HG 1 41 GLU QG . . 6.380 4.439 2.008 6.450 0.070 3 0 "[ . 1 . 2]" 1
633 1 41 GLU H 1 42 GLY H . . 4.820 2.718 2.621 2.774 . 0 0 "[ . 1 . 2]" 1
634 1 41 GLU HA 1 42 GLY QA . . 5.260 4.017 3.940 4.080 . 0 0 "[ . 1 . 2]" 1
635 1 41 GLU HA 1 43 LYS H . . 5.500 4.319 4.246 4.430 . 0 0 "[ . 1 . 2]" 1
636 1 41 GLU QB 1 42 GLY QA . . 5.180 4.390 4.222 4.641 . 0 0 "[ . 1 . 2]" 1
637 1 41 GLU HB2 1 42 GLY H . . 5.500 4.350 4.110 4.590 . 0 0 "[ . 1 . 2]" 1
638 1 41 GLU HB2 1 43 LYS H . . 5.500 4.165 3.410 4.867 . 0 0 "[ . 1 . 2]" 1
639 1 41 GLU HB3 1 42 GLY H . . 5.500 4.302 4.093 4.470 . 0 0 "[ . 1 . 2]" 1
640 1 41 GLU HB3 1 43 LYS H . . 5.500 4.077 3.309 4.793 . 0 0 "[ . 1 . 2]" 1
641 1 41 GLU QG 1 42 GLY H . . 6.380 4.509 4.346 4.960 . 0 0 "[ . 1 . 2]" 1
642 1 41 GLU QG 1 43 LYS H . . 6.380 4.774 4.260 5.302 . 0 0 "[ . 1 . 2]" 1
643 1 42 GLY H 1 43 LYS H . . 4.380 2.639 2.561 2.716 . 0 0 "[ . 1 . 2]" 1
644 1 43 LYS H 1 44 ASN H . . 5.500 4.461 4.415 4.519 . 0 0 "[ . 1 . 2]" 1
645 1 43 LYS QB 1 44 ASN H . . 6.380 3.296 2.736 3.709 . 0 0 "[ . 1 . 2]" 1
646 1 43 LYS QD 1 44 ASN H . . 6.380 4.503 1.849 5.561 . 0 0 "[ . 1 . 2]" 1
647 1 43 LYS QG 1 44 ASN H . . 6.380 3.157 2.269 4.291 . 0 0 "[ . 1 . 2]" 1
648 1 44 ASN HB2 1 45 ARG H . . 5.500 3.995 3.170 4.348 . 0 0 "[ . 1 . 2]" 1
649 1 44 ASN HB3 1 45 ARG H . . 5.500 3.866 3.373 4.282 . 0 0 "[ . 1 . 2]" 1
650 1 45 ARG H 1 45 ARG HG2 . . 5.500 4.516 4.092 4.808 . 0 0 "[ . 1 . 2]" 1
651 1 45 ARG H 1 45 ARG HG3 . . 5.500 4.444 3.097 4.643 . 0 0 "[ . 1 . 2]" 1
652 1 45 ARG HA 1 46 THR HB . . 5.220 4.656 4.369 4.889 . 0 0 "[ . 1 . 2]" 1
653 1 45 ARG HA 1 46 THR MG . . 6.520 4.933 3.688 5.516 . 0 0 "[ . 1 . 2]" 1
654 1 45 ARG QB 1 46 THR H . . 6.380 3.764 2.989 3.893 . 0 0 "[ . 1 . 2]" 1
655 1 45 ARG QB 1 47 LEU MD1 . . 7.400 3.912 2.556 5.455 . 0 0 "[ . 1 . 2]" 1
656 1 45 ARG QB 1 47 LEU MD2 . . 7.400 3.882 2.831 5.344 . 0 0 "[ . 1 . 2]" 1
657 1 45 ARG QD 1 47 LEU MD1 . . 7.400 4.425 2.590 5.924 . 0 0 "[ . 1 . 2]" 1
658 1 45 ARG QD 1 47 LEU MD2 . . 7.400 4.234 2.331 6.284 . 0 0 "[ . 1 . 2]" 1
659 1 45 ARG QG 1 46 THR HB . . 5.340 4.920 4.147 5.461 0.121 6 0 "[ . 1 . 2]" 1
660 1 45 ARG QG 1 47 LEU QD . . 5.080 2.699 2.068 4.249 . 0 0 "[ . 1 . 2]" 1
661 1 45 ARG HG2 1 46 THR H . . 5.500 3.862 2.914 4.929 . 0 0 "[ . 1 . 2]" 1
662 1 45 ARG HG3 1 46 THR H . . 5.500 3.363 2.832 4.732 . 0 0 "[ . 1 . 2]" 1
663 1 46 THR HA 1 47 LEU QD . . 6.420 3.510 2.748 4.278 . 0 0 "[ . 1 . 2]" 1
664 1 46 THR HA 1 48 TYR H . . 5.310 3.639 3.408 3.844 . 0 0 "[ . 1 . 2]" 1
665 1 46 THR HB 1 47 LEU H . . 5.160 4.219 4.074 4.342 . 0 0 "[ . 1 . 2]" 1
666 1 46 THR MG 1 47 LEU H . . 6.520 3.235 2.671 4.153 . 0 0 "[ . 1 . 2]" 1
667 1 46 THR MG 1 48 TYR H . . 6.520 3.199 2.210 4.618 . 0 0 "[ . 1 . 2]" 1
668 1 46 THR MG 1 48 TYR HA . . 6.520 4.467 3.351 6.081 . 0 0 "[ . 1 . 2]" 1
669 1 47 LEU H 1 47 LEU HG . . 5.500 3.335 2.325 4.341 . 0 0 "[ . 1 . 2]" 1
670 1 47 LEU H 1 48 TYR H . . 4.450 2.051 1.889 2.200 . 0 0 "[ . 1 . 2]" 1
671 1 47 LEU QB 1 70 LEU QB . . 5.180 4.161 2.900 4.919 . 0 0 "[ . 1 . 2]" 1
672 1 47 LEU HB2 1 48 TYR H . . 5.500 2.849 2.526 3.932 . 0 0 "[ . 1 . 2]" 1
673 1 47 LEU HB3 1 48 TYR H . . 5.500 3.773 3.439 4.312 . 0 0 "[ . 1 . 2]" 1
674 1 47 LEU QD 1 70 LEU QB . . 6.190 2.714 1.914 3.631 . 0 0 "[ . 1 . 2]" 1
675 1 47 LEU QD 1 72 LEU QB . . 5.310 3.738 2.156 4.661 . 0 0 "[ . 1 . 2]" 1
676 1 47 LEU MD1 1 48 TYR H . . 6.520 4.297 3.706 4.736 . 0 0 "[ . 1 . 2]" 1
677 1 47 LEU MD2 1 48 TYR H . . 6.520 4.344 2.907 4.988 . 0 0 "[ . 1 . 2]" 1
678 1 47 LEU HG 1 48 TYR H . . 5.500 4.485 2.879 5.268 . 0 0 "[ . 1 . 2]" 1
679 1 48 TYR HA 1 63 LEU QD . . 6.420 2.996 2.074 4.431 . 0 0 "[ . 1 . 2]" 1
680 1 48 TYR HA 1 63 LEU HG . . 5.500 4.572 2.469 5.514 0.014 8 0 "[ . 1 . 2]" 1
681 1 48 TYR QB 1 63 LEU QD . . 6.190 3.976 2.780 5.130 . 0 0 "[ . 1 . 2]" 1
682 1 57 GLU H 1 58 ARG H . . 5.100 3.439 2.031 4.511 . 0 0 "[ . 1 . 2]" 1
683 1 58 ARG H 1 59 THR MG . . 6.520 5.456 4.062 6.584 0.064 16 0 "[ . 1 . 2]" 1
684 1 58 ARG HA 1 60 ARG H . . 5.220 4.301 3.172 5.348 0.128 14 0 "[ . 1 . 2]" 1
685 1 58 ARG QB 1 59 THR H . . 6.380 3.082 1.777 4.033 . 0 0 "[ . 1 . 2]" 1
686 1 58 ARG QB 1 59 THR MG . . 7.400 4.809 2.684 5.890 . 0 0 "[ . 1 . 2]" 1
687 1 58 ARG QB 1 60 ARG H . . 5.910 4.196 2.558 5.410 . 0 0 "[ . 1 . 2]" 1
688 1 58 ARG QG 1 59 THR H . . 6.380 3.948 2.556 4.462 . 0 0 "[ . 1 . 2]" 1
689 1 59 THR H 1 60 ARG H . . 4.600 2.892 1.728 4.230 . 0 0 "[ . 1 . 2]" 1
690 1 59 THR HB 1 60 ARG H . . 5.500 3.351 1.937 4.456 . 0 0 "[ . 1 . 2]" 1
691 1 59 THR MG 1 60 ARG H . . 6.520 3.344 2.183 4.294 . 0 0 "[ . 1 . 2]" 1
692 1 60 ARG H 1 61 PRO QB . . 5.340 4.885 3.915 5.439 0.099 11 0 "[ . 1 . 2]" 1
693 1 60 ARG H 1 61 PRO HD2 . . 5.500 3.705 2.352 4.928 . 0 0 "[ . 1 . 2]" 1
694 1 60 ARG H 1 61 PRO HD3 . . 5.500 3.037 1.971 4.637 . 0 0 "[ . 1 . 2]" 1
695 1 61 PRO HA 1 63 LEU H . . 5.380 4.381 4.042 4.651 . 0 0 "[ . 1 . 2]" 1
696 1 61 PRO HA 1 64 SER H . . 5.500 3.521 3.253 3.845 . 0 0 "[ . 1 . 2]" 1
697 1 61 PRO QD 1 63 LEU H . . 5.350 4.340 3.919 4.778 . 0 0 "[ . 1 . 2]" 1
698 1 61 PRO HD2 1 62 ASN H . . 5.500 2.624 2.214 3.061 . 0 0 "[ . 1 . 2]" 1
699 1 61 PRO HD3 1 62 ASN H . . 5.500 3.820 3.538 4.107 . 0 0 "[ . 1 . 2]" 1
700 1 61 PRO QG 1 63 LEU H . . 5.350 4.721 4.421 5.442 0.092 9 0 "[ . 1 . 2]" 1
701 1 61 PRO QG 1 64 SER H . . 5.350 5.406 5.353 5.470 0.120 12 0 "[ . 1 . 2]" 1
702 1 61 PRO HG2 1 62 ASN H . . 5.500 2.414 2.026 4.265 . 0 0 "[ . 1 . 2]" 1
703 1 61 PRO HG3 1 62 ASN H . . 5.500 3.859 3.614 4.517 . 0 0 "[ . 1 . 2]" 1
704 1 62 ASN H 1 63 LEU H . . 4.260 2.597 2.206 2.882 . 0 0 "[ . 1 . 2]" 1
705 1 62 ASN H 1 63 LEU HG . . 5.500 4.448 3.938 5.724 0.224 11 0 "[ . 1 . 2]" 1
706 1 62 ASN H 1 65 LYS QB . . 5.340 5.111 4.625 5.383 0.043 9 0 "[ . 1 . 2]" 1
707 1 62 ASN H 1 70 LEU QD . . 6.420 4.392 3.538 4.717 . 0 0 "[ . 1 . 2]" 1
708 1 62 ASN HA 1 65 LYS H . . 5.310 3.458 2.997 3.829 . 0 0 "[ . 1 . 2]" 1
709 1 62 ASN HA 1 65 LYS HB2 . . 5.500 2.869 2.262 3.266 . 0 0 "[ . 1 . 2]" 1
710 1 62 ASN HA 1 65 LYS QB . . 4.780 2.837 2.249 3.221 . 0 0 "[ . 1 . 2]" 1
711 1 62 ASN HA 1 65 LYS HB3 . . 5.500 4.504 3.946 4.899 . 0 0 "[ . 1 . 2]" 1
712 1 62 ASN HA 1 65 LYS HG2 . . 5.500 4.122 2.703 5.505 0.005 16 0 "[ . 1 . 2]" 1
713 1 62 ASN HA 1 65 LYS HG3 . . 5.500 3.896 2.963 5.538 0.038 19 0 "[ . 1 . 2]" 1
714 1 62 ASN HA 1 70 LEU MD1 . . 6.520 3.608 2.199 4.520 . 0 0 "[ . 1 . 2]" 1
715 1 62 ASN HA 1 70 LEU MD2 . . 6.520 2.255 1.887 2.963 . 0 0 "[ . 1 . 2]" 1
716 1 62 ASN QB 1 70 LEU QB . . 5.180 4.767 2.813 5.235 0.055 7 0 "[ . 1 . 2]" 1
717 1 62 ASN QB 1 70 LEU QD . . 5.360 2.538 1.964 2.946 . 0 0 "[ . 1 . 2]" 1
718 1 62 ASN HB2 1 63 LEU H . . 5.500 2.826 2.441 3.696 . 0 0 "[ . 1 . 2]" 1
719 1 62 ASN HB3 1 63 LEU H . . 5.500 3.746 3.517 4.037 . 0 0 "[ . 1 . 2]" 1
720 1 63 LEU H 1 63 LEU HG . . 5.500 2.450 2.180 3.685 . 0 0 "[ . 1 . 2]" 1
721 1 63 LEU H 1 64 SER H . . 4.720 2.540 2.453 2.611 . 0 0 "[ . 1 . 2]" 1
722 1 63 LEU H 1 64 SER QB . . 5.340 4.521 4.139 4.902 . 0 0 "[ . 1 . 2]" 1
723 1 63 LEU HA 1 65 LYS H . . 5.500 3.998 3.406 4.233 . 0 0 "[ . 1 . 2]" 1
724 1 63 LEU HB2 1 64 SER H . . 5.500 3.060 2.753 4.158 . 0 0 "[ . 1 . 2]" 1
725 1 63 LEU HB3 1 64 SER H . . 5.500 3.940 3.781 4.343 . 0 0 "[ . 1 . 2]" 1
726 1 63 LEU HG 1 64 SER H . . 5.500 4.395 3.357 5.157 . 0 0 "[ . 1 . 2]" 1
727 1 64 SER H 1 65 LYS H . . 4.070 2.335 2.147 2.492 . 0 0 "[ . 1 . 2]" 1
728 1 64 SER H 1 65 LYS QB . . 5.340 4.329 4.117 4.534 . 0 0 "[ . 1 . 2]" 1
729 1 64 SER H 1 65 LYS QG . . 5.340 3.972 3.654 5.371 0.031 19 0 "[ . 1 . 2]" 1
730 1 64 SER HA 1 65 LYS QD . . 6.380 5.755 4.566 6.526 0.146 1 0 "[ . 1 . 2]" 1
731 1 64 SER HB2 1 65 LYS H . . 5.500 3.640 3.093 4.249 . 0 0 "[ . 1 . 2]" 1
732 1 64 SER HB3 1 65 LYS H . . 5.500 3.833 2.984 4.364 . 0 0 "[ . 1 . 2]" 1
733 1 65 LYS H 1 65 LYS QB . . 3.650 2.392 2.292 2.490 . 0 0 "[ . 1 . 2]" 1
734 1 65 LYS H 1 65 LYS HG2 . . 5.500 3.159 2.481 4.298 . 0 0 "[ . 1 . 2]" 1
735 1 65 LYS H 1 65 LYS HG3 . . 5.500 3.590 2.482 4.192 . 0 0 "[ . 1 . 2]" 1
736 1 65 LYS H 1 66 THR H . . 5.500 4.532 4.475 4.592 . 0 0 "[ . 1 . 2]" 1
737 1 65 LYS H 1 70 LEU QD . . 6.420 3.639 3.246 4.142 . 0 0 "[ . 1 . 2]" 1
738 1 65 LYS HA 1 66 THR H . . 3.520 2.337 2.114 2.439 . 0 0 "[ . 1 . 2]" 1
739 1 65 LYS HA 1 66 THR MG . . 6.520 3.477 3.359 3.663 . 0 0 "[ . 1 . 2]" 1
740 1 65 LYS QB 1 66 THR H . . 4.000 2.432 2.374 2.535 . 0 0 "[ . 1 . 2]" 1
741 1 65 LYS QB 1 69 GLU QB . . 4.530 2.290 1.951 3.038 . 0 0 "[ . 1 . 2]" 1
742 1 65 LYS QB 1 70 LEU QD . . 6.160 2.214 1.880 3.052 . 0 0 "[ . 1 . 2]" 1
743 1 65 LYS HB2 1 66 THR H . . 4.660 3.701 3.616 3.891 . 0 0 "[ . 1 . 2]" 1
744 1 65 LYS HB3 1 66 THR H . . 4.660 2.466 2.403 2.569 . 0 0 "[ . 1 . 2]" 1
745 1 65 LYS QG 1 66 THR H . . 5.340 4.056 3.489 4.404 . 0 0 "[ . 1 . 2]" 1
746 1 65 LYS QG 1 70 LEU QD . . 5.530 3.292 2.445 4.511 . 0 0 "[ . 1 . 2]" 1
747 1 66 THR H 1 69 GLU H . . 5.380 3.722 3.281 4.480 . 0 0 "[ . 1 . 2]" 1
748 1 66 THR H 1 69 GLU HB2 . . 5.500 2.552 2.078 3.566 . 0 0 "[ . 1 . 2]" 1
749 1 66 THR H 1 69 GLU QB . . 4.760 2.522 2.064 3.496 . 0 0 "[ . 1 . 2]" 1
750 1 66 THR H 1 69 GLU HB3 . . 5.500 3.992 3.540 5.039 . 0 0 "[ . 1 . 2]" 1
751 1 66 THR H 1 69 GLU HG2 . . 5.500 3.827 2.867 4.598 . 0 0 "[ . 1 . 2]" 1
752 1 66 THR H 1 69 GLU QG . . 4.730 3.295 2.303 4.061 . 0 0 "[ . 1 . 2]" 1
753 1 66 THR H 1 69 GLU HG3 . . 5.500 3.946 2.426 5.507 0.007 8 0 "[ . 1 . 2]" 1
754 1 66 THR H 1 70 LEU QD . . 6.420 4.365 4.028 4.841 . 0 0 "[ . 1 . 2]" 1
755 1 66 THR HA 1 67 LEU QD . . 6.420 4.080 3.950 4.207 . 0 0 "[ . 1 . 2]" 1
756 1 66 THR HA 1 68 LYS H . . 5.500 4.313 4.100 4.672 . 0 0 "[ . 1 . 2]" 1
757 1 66 THR HB 1 67 LEU H . . 3.980 2.393 2.214 2.535 . 0 0 "[ . 1 . 2]" 1
758 1 66 THR HB 1 68 LYS H . . 4.660 2.835 2.534 3.271 . 0 0 "[ . 1 . 2]" 1
759 1 66 THR HB 1 69 GLU H . . 5.220 3.724 3.378 4.697 . 0 0 "[ . 1 . 2]" 1
760 1 66 THR MG 1 67 LEU H . . 6.520 3.632 3.413 3.775 . 0 0 "[ . 1 . 2]" 1
761 1 66 THR MG 1 68 LYS H . . 6.520 4.359 4.101 4.722 . 0 0 "[ . 1 . 2]" 1
762 1 66 THR MG 1 69 GLU H . . 6.520 4.319 3.860 5.290 . 0 0 "[ . 1 . 2]" 1
763 1 66 THR MG 1 69 GLU QG . . 6.290 3.859 2.907 5.218 . 0 0 "[ . 1 . 2]" 1
764 1 67 LEU H 1 67 LEU QB . . 3.620 2.450 2.397 2.499 . 0 0 "[ . 1 . 2]" 1
765 1 67 LEU H 1 67 LEU HG . . 4.170 2.170 2.075 2.293 . 0 0 "[ . 1 . 2]" 1
766 1 67 LEU H 1 68 LYS H . . 4.630 2.702 2.571 2.880 . 0 0 "[ . 1 . 2]" 1
767 1 67 LEU H 1 68 LYS QB . . 6.380 4.467 4.183 5.063 . 0 0 "[ . 1 . 2]" 1
768 1 67 LEU H 1 70 LEU MD1 . . 6.520 4.369 4.093 5.238 . 0 0 "[ . 1 . 2]" 1
769 1 67 LEU H 1 70 LEU MD2 . . 6.520 5.835 3.861 6.228 . 0 0 "[ . 1 . 2]" 1
770 1 67 LEU HA 1 68 LYS QB . . 6.380 5.186 5.064 5.549 . 0 0 "[ . 1 . 2]" 1
771 1 67 LEU HA 1 69 GLU H . . 5.500 4.470 4.299 4.647 . 0 0 "[ . 1 . 2]" 1
772 1 67 LEU HA 1 70 LEU H . . 5.250 3.414 3.223 3.609 . 0 0 "[ . 1 . 2]" 1
773 1 67 LEU HA 1 70 LEU QB . . 4.570 2.782 2.415 4.035 . 0 0 "[ . 1 . 2]" 1
774 1 67 LEU HA 1 70 LEU MD1 . . 6.520 2.454 2.160 2.888 . 0 0 "[ . 1 . 2]" 1
775 1 67 LEU HA 1 70 LEU QD . . 5.730 2.410 2.156 2.799 . 0 0 "[ . 1 . 2]" 1
776 1 67 LEU HA 1 70 LEU MD2 . . 6.520 4.472 2.266 4.950 . 0 0 "[ . 1 . 2]" 1
777 1 67 LEU HA 1 70 LEU HG . . 5.500 3.152 2.060 3.795 . 0 0 "[ . 1 . 2]" 1
778 1 67 LEU HA 1 72 LEU H . . 5.500 4.448 3.999 4.841 . 0 0 "[ . 1 . 2]" 1
779 1 67 LEU QB 1 68 LYS H . . 4.020 2.627 2.532 2.809 . 0 0 "[ . 1 . 2]" 1
780 1 67 LEU QB 1 68 LYS HA . . 4.880 3.903 3.825 3.986 . 0 0 "[ . 1 . 2]" 1
781 1 67 LEU QB 1 70 LEU QD . . 6.190 3.996 3.457 4.387 . 0 0 "[ . 1 . 2]" 1
782 1 67 LEU QB 1 72 LEU QB . . 4.760 2.717 2.082 3.401 . 0 0 "[ . 1 . 2]" 1
783 1 67 LEU QB 1 93 LEU HG . . 5.340 3.999 3.292 4.620 . 0 0 "[ . 1 . 2]" 1
784 1 67 LEU QB 1 95 PHE HZ . . 3.370 2.161 1.896 2.536 . 0 0 "[ . 1 . 2]" 1
785 1 67 LEU HB2 1 68 LYS H . . 4.790 2.686 2.580 2.890 . 0 0 "[ . 1 . 2]" 1
786 1 67 LEU HB2 1 95 PHE QD . . 7.630 4.247 3.968 4.486 . 0 0 "[ . 1 . 2]" 1
787 1 67 LEU HB2 1 95 PHE HZ . . 3.980 3.026 2.324 3.494 . 0 0 "[ . 1 . 2]" 1
788 1 67 LEU HB3 1 68 LYS H . . 4.790 3.725 3.589 3.824 . 0 0 "[ . 1 . 2]" 1
789 1 67 LEU HB3 1 95 PHE QD . . 7.630 4.887 4.532 5.203 . 0 0 "[ . 1 . 2]" 1
790 1 67 LEU HB3 1 95 PHE HZ . . 3.980 2.221 2.008 2.641 . 0 0 "[ . 1 . 2]" 1
791 1 67 LEU QD 1 70 LEU H . . 6.420 4.790 4.613 4.943 . 0 0 "[ . 1 . 2]" 1
792 1 67 LEU QD 1 93 LEU QD . . 7.140 1.940 1.764 2.390 . 0 0 "[ . 1 . 2]" 1
793 1 67 LEU QD 1 95 PHE QD . . 6.620 3.712 3.380 4.084 . 0 0 "[ . 1 . 2]" 1
794 1 67 LEU QD 1 95 PHE HZ . . 5.500 3.141 2.546 3.726 . 0 0 "[ . 1 . 2]" 1
795 1 67 LEU MD1 1 68 LYS H . . 6.520 4.582 4.440 4.786 . 0 0 "[ . 1 . 2]" 1
796 1 67 LEU MD1 1 95 PHE HZ . . 6.520 3.288 2.591 3.947 . 0 0 "[ . 1 . 2]" 1
797 1 67 LEU MD2 1 68 LYS H . . 6.520 4.640 4.570 4.717 . 0 0 "[ . 1 . 2]" 1
798 1 67 LEU MD2 1 95 PHE HZ . . 6.520 4.039 3.639 4.574 . 0 0 "[ . 1 . 2]" 1
799 1 68 LYS H 1 68 LYS QE . . 6.380 5.459 3.990 6.102 . 0 0 "[ . 1 . 2]" 1
800 1 68 LYS H 1 68 LYS HG2 . . 5.500 4.267 2.028 4.517 . 0 0 "[ . 1 . 2]" 1
801 1 68 LYS H 1 68 LYS HG3 . . 5.500 4.308 2.342 4.605 . 0 0 "[ . 1 . 2]" 1
802 1 68 LYS H 1 69 GLU H . . 4.320 2.662 2.576 2.762 . 0 0 "[ . 1 . 2]" 1
803 1 68 LYS H 1 69 GLU QB . . 5.340 4.603 4.421 4.787 . 0 0 "[ . 1 . 2]" 1
804 1 68 LYS H 1 70 LEU H . . 5.500 3.926 3.821 4.033 . 0 0 "[ . 1 . 2]" 1
805 1 68 LYS QB 1 69 GLU H . . 5.670 2.551 2.359 3.448 . 0 0 "[ . 1 . 2]" 1
806 1 68 LYS QB 1 69 GLU HA . . 6.380 4.174 3.774 4.402 . 0 0 "[ . 1 . 2]" 1
807 1 68 LYS QG 1 69 GLU HA . . 5.340 3.873 3.316 5.545 0.205 11 0 "[ . 1 . 2]" 1
808 1 68 LYS HG2 1 69 GLU H . . 5.500 3.806 2.731 4.891 . 0 0 "[ . 1 . 2]" 1
809 1 68 LYS HG3 1 69 GLU H . . 5.500 4.577 2.372 4.863 . 0 0 "[ . 1 . 2]" 1
810 1 69 GLU H 1 69 GLU QB . . 3.470 2.358 2.260 2.438 . 0 0 "[ . 1 . 2]" 1
811 1 69 GLU H 1 69 GLU HG2 . . 5.500 3.324 2.327 4.160 . 0 0 "[ . 1 . 2]" 1
812 1 69 GLU H 1 69 GLU HG3 . . 5.500 3.432 2.207 4.081 . 0 0 "[ . 1 . 2]" 1
813 1 69 GLU H 1 70 LEU H . . 4.260 2.617 2.559 2.688 . 0 0 "[ . 1 . 2]" 1
814 1 69 GLU H 1 70 LEU QD . . 6.420 4.651 4.386 4.867 . 0 0 "[ . 1 . 2]" 1
815 1 69 GLU H 1 70 LEU HG . . 5.500 4.305 3.983 4.606 . 0 0 "[ . 1 . 2]" 1
816 1 69 GLU HA 1 71 GLY H . . 5.500 3.599 3.270 3.885 . 0 0 "[ . 1 . 2]" 1
817 1 69 GLU QG 1 70 LEU H . . 5.340 4.461 4.142 4.826 . 0 0 "[ . 1 . 2]" 1
818 1 69 GLU QG 1 70 LEU QD . . 6.190 5.052 4.742 5.667 . 0 0 "[ . 1 . 2]" 1
819 1 70 LEU H 1 70 LEU QB . . 3.630 2.437 2.354 2.664 . 0 0 "[ . 1 . 2]" 1
820 1 70 LEU H 1 70 LEU HG . . 5.470 2.463 2.237 2.638 . 0 0 "[ . 1 . 2]" 1
821 1 70 LEU H 1 71 GLY H . . 4.200 2.517 2.435 2.622 . 0 0 "[ . 1 . 2]" 1
822 1 70 LEU H 1 71 GLY QA . . 5.340 4.440 4.372 4.530 . 0 0 "[ . 1 . 2]" 1
823 1 70 LEU H 1 72 LEU H . . 5.440 3.746 3.450 4.059 . 0 0 "[ . 1 . 2]" 1
824 1 70 LEU H 1 72 LEU QB . . 5.080 4.716 4.210 5.099 0.019 7 0 "[ . 1 . 2]" 1
825 1 70 LEU H 1 72 LEU QD . . 6.420 4.827 3.621 6.049 . 0 0 "[ . 1 . 2]" 1
826 1 70 LEU QB 1 72 LEU H . . 4.720 3.247 2.877 4.523 . 0 0 "[ . 1 . 2]" 1
827 1 70 LEU QB 1 72 LEU QB . . 4.760 3.501 2.594 4.450 . 0 0 "[ . 1 . 2]" 1
828 1 70 LEU QB 1 72 LEU QD . . 6.190 3.102 1.922 5.013 . 0 0 "[ . 1 . 2]" 1
829 1 70 LEU HB2 1 71 GLY H . . 5.500 3.473 3.259 4.411 . 0 0 "[ . 1 . 2]" 1
830 1 70 LEU HB2 1 72 LEU H . . 5.380 3.363 2.945 4.921 . 0 0 "[ . 1 . 2]" 1
831 1 70 LEU HB3 1 71 GLY H . . 5.500 4.203 4.114 4.461 . 0 0 "[ . 1 . 2]" 1
832 1 70 LEU HB3 1 72 LEU H . . 5.380 4.332 4.017 5.275 . 0 0 "[ . 1 . 2]" 1
833 1 70 LEU QD 1 71 GLY H . . 6.420 4.297 3.234 4.432 . 0 0 "[ . 1 . 2]" 1
834 1 70 LEU HG 1 71 GLY H . . 5.500 4.617 3.570 4.856 . 0 0 "[ . 1 . 2]" 1
835 1 71 GLY H 1 72 LEU H . . 4.110 2.364 2.278 2.463 . 0 0 "[ . 1 . 2]" 1
836 1 71 GLY H 1 72 LEU QB . . 5.110 4.312 3.937 4.534 . 0 0 "[ . 1 . 2]" 1
837 1 71 GLY QA 1 73 VAL QG . . 6.190 4.612 3.754 5.228 . 0 0 "[ . 1 . 2]" 1
838 1 72 LEU H 1 72 LEU QB . . 3.410 2.330 2.120 2.448 . 0 0 "[ . 1 . 2]" 1
839 1 72 LEU H 1 73 VAL QG . . 6.420 4.905 4.227 5.426 . 0 0 "[ . 1 . 2]" 1
840 1 72 LEU H 1 95 PHE HZ . . 5.500 4.268 3.956 4.675 . 0 0 "[ . 1 . 2]" 1
841 1 72 LEU HA 1 73 VAL QG . . 6.420 3.444 3.147 3.767 . 0 0 "[ . 1 . 2]" 1
842 1 72 LEU QB 1 95 PHE HZ . . 3.500 2.239 1.969 2.669 . 0 0 "[ . 1 . 2]" 1
843 1 72 LEU HB2 1 73 VAL H . . 4.940 4.058 3.753 4.340 . 0 0 "[ . 1 . 2]" 1
844 1 72 LEU HB3 1 73 VAL H . . 4.940 3.214 2.571 3.973 . 0 0 "[ . 1 . 2]" 1
845 1 72 LEU QD 1 73 VAL H . . 6.420 2.803 1.772 4.023 . 0 0 "[ . 1 . 2]" 1
846 1 72 LEU QD 1 75 GLY H . . 6.420 5.511 4.092 6.472 0.052 1 0 "[ . 1 . 2]" 1
847 1 72 LEU QD 1 76 GLN H . . 6.420 4.516 3.243 5.638 . 0 0 "[ . 1 . 2]" 1
848 1 72 LEU QD 1 76 GLN QB . . 5.720 2.803 2.026 3.936 . 0 0 "[ . 1 . 2]" 1
849 1 72 LEU QD 1 76 GLN QG . . 7.260 2.906 1.903 3.943 . 0 0 "[ . 1 . 2]" 1
850 1 72 LEU QD 1 93 LEU QB . . 5.720 2.735 1.859 3.874 . 0 0 "[ . 1 . 2]" 1
851 1 72 LEU QD 1 93 LEU QD . . 6.190 2.555 1.675 3.131 . 0 0 "[ . 1 . 2]" 1
852 1 72 LEU QD 1 93 LEU HG . . 6.420 2.821 1.907 5.120 . 0 0 "[ . 1 . 2]" 1
853 1 72 LEU QD 1 95 PHE QD . . 7.300 4.803 3.722 5.862 . 0 0 "[ . 1 . 2]" 1
854 1 72 LEU QD 1 95 PHE HZ . . 4.960 3.009 2.103 3.957 . 0 0 "[ . 1 . 2]" 1
855 1 73 VAL H 1 76 GLN H . . 4.970 4.229 3.964 4.505 . 0 0 "[ . 1 . 2]" 1
856 1 73 VAL H 1 76 GLN HB2 . . 5.410 2.867 2.256 3.427 . 0 0 "[ . 1 . 2]" 1
857 1 73 VAL H 1 76 GLN QB . . 4.580 2.639 2.214 3.078 . 0 0 "[ . 1 . 2]" 1
858 1 73 VAL H 1 76 GLN HB3 . . 5.410 3.277 2.598 4.365 . 0 0 "[ . 1 . 2]" 1
859 1 73 VAL H 1 76 GLN QG . . 6.380 3.325 2.093 4.306 . 0 0 "[ . 1 . 2]" 1
860 1 73 VAL HA 1 74 ASP QB . . 5.340 4.395 4.116 4.531 . 0 0 "[ . 1 . 2]" 1
861 1 73 VAL HA 1 95 PHE QD . . 6.670 3.237 2.791 3.649 . 0 0 "[ . 1 . 2]" 1
862 1 73 VAL HA 1 95 PHE HZ . . 4.570 4.395 3.922 4.607 0.037 16 0 "[ . 1 . 2]" 1
863 1 73 VAL HB 1 74 ASP H . . 3.920 3.327 2.283 3.960 0.040 15 0 "[ . 1 . 2]" 1
864 1 73 VAL HB 1 76 GLN QB . . 5.340 4.612 3.875 5.423 0.083 4 0 "[ . 1 . 2]" 1
865 1 73 VAL HB 1 95 PHE QD . . 7.630 5.197 4.312 5.956 . 0 0 "[ . 1 . 2]" 1
866 1 73 VAL QG 1 75 GLY H . . 6.420 4.527 4.261 4.947 . 0 0 "[ . 1 . 2]" 1
867 1 73 VAL QG 1 76 GLN H . . 6.420 3.307 2.983 4.096 . 0 0 "[ . 1 . 2]" 1
868 1 73 VAL QG 1 76 GLN HA . . 6.420 3.973 3.489 5.071 . 0 0 "[ . 1 . 2]" 1
869 1 73 VAL QG 1 76 GLN QB . . 5.720 2.508 1.916 4.124 . 0 0 "[ . 1 . 2]" 1
870 1 73 VAL QG 1 76 GLN QG . . 7.260 3.162 1.850 4.060 . 0 0 "[ . 1 . 2]" 1
871 1 73 VAL QG 1 77 GLU H . . 6.420 5.504 5.113 6.431 0.011 9 0 "[ . 1 . 2]" 1
872 1 73 VAL MG1 1 74 ASP H . . 6.520 3.462 2.146 3.774 . 0 0 "[ . 1 . 2]" 1
873 1 73 VAL MG2 1 74 ASP H . . 6.520 2.651 1.838 3.949 . 0 0 "[ . 1 . 2]" 1
874 1 74 ASP H 1 74 ASP HB2 . . 4.070 3.457 2.699 3.680 . 0 0 "[ . 1 . 2]" 1
875 1 74 ASP H 1 74 ASP HB3 . . 4.070 2.555 2.329 2.701 . 0 0 "[ . 1 . 2]" 1
876 1 74 ASP H 1 75 GLY H . . 5.500 4.521 4.459 4.561 . 0 0 "[ . 1 . 2]" 1
877 1 74 ASP H 1 95 PHE H . . 5.500 4.385 3.940 4.814 . 0 0 "[ . 1 . 2]" 1
878 1 74 ASP H 1 95 PHE QE . . 7.630 3.415 2.905 3.931 . 0 0 "[ . 1 . 2]" 1
879 1 74 ASP HA 1 75 GLY H . . 3.480 2.103 2.048 2.170 . 0 0 "[ . 1 . 2]" 1
880 1 74 ASP HA 1 75 GLY QA . . 5.340 3.897 3.850 3.937 . 0 0 "[ . 1 . 2]" 1
881 1 74 ASP HA 1 76 GLN H . . 4.940 3.271 3.169 3.468 . 0 0 "[ . 1 . 2]" 1
882 1 74 ASP HA 1 94 HIS H . . 5.500 4.744 4.589 4.982 . 0 0 "[ . 1 . 2]" 1
883 1 74 ASP HA 1 94 HIS HA . . 5.250 2.590 2.270 3.088 . 0 0 "[ . 1 . 2]" 1
884 1 74 ASP HA 1 95 PHE H . . 5.070 3.033 2.546 3.515 . 0 0 "[ . 1 . 2]" 1
885 1 74 ASP HA 1 95 PHE QB . . 5.340 4.169 3.784 4.652 . 0 0 "[ . 1 . 2]" 1
886 1 74 ASP HA 1 95 PHE QE . . 6.800 3.560 3.091 3.953 . 0 0 "[ . 1 . 2]" 1
887 1 74 ASP QB 1 94 HIS H . . 5.340 5.089 4.693 5.465 0.125 3 0 "[ . 1 . 2]" 1
888 1 74 ASP QB 1 95 PHE H . . 5.340 1.943 1.689 2.351 . 0 0 "[ . 1 . 2]" 1
889 1 74 ASP QB 1 95 PHE QB . . 5.180 2.459 2.184 2.829 . 0 0 "[ . 1 . 2]" 1
890 1 74 ASP QB 1 95 PHE QD . . 7.320 2.216 1.941 2.536 . 0 0 "[ . 1 . 2]" 1
891 1 74 ASP QB 1 95 PHE QE . . 6.080 4.223 3.812 4.575 . 0 0 "[ . 1 . 2]" 1
892 1 74 ASP HB2 1 75 GLY H . . 5.500 3.296 2.981 4.008 . 0 0 "[ . 1 . 2]" 1
893 1 74 ASP HB3 1 75 GLY H . . 5.500 4.158 4.090 4.331 . 0 0 "[ . 1 . 2]" 1
894 1 75 GLY H 1 76 GLN H . . 4.040 2.418 2.324 2.527 . 0 0 "[ . 1 . 2]" 1
895 1 75 GLY H 1 93 LEU HB2 . . 5.500 5.258 3.921 5.527 0.027 7 0 "[ . 1 . 2]" 1
896 1 75 GLY H 1 93 LEU HB3 . . 5.500 4.130 3.671 4.701 . 0 0 "[ . 1 . 2]" 1
897 1 75 GLY H 1 93 LEU QD . . 6.420 4.463 4.015 5.098 . 0 0 "[ . 1 . 2]" 1
898 1 75 GLY H 1 94 HIS HA . . 4.510 2.812 2.257 3.321 . 0 0 "[ . 1 . 2]" 1
899 1 75 GLY H 1 94 HIS QB . . 5.340 4.468 4.035 5.032 . 0 0 "[ . 1 . 2]" 1
900 1 75 GLY H 1 95 PHE H . . 5.000 4.351 3.815 4.729 . 0 0 "[ . 1 . 2]" 1
901 1 75 GLY QA 1 92 LYS QG . . 5.180 3.962 2.530 4.373 . 0 0 "[ . 1 . 2]" 1
902 1 75 GLY QA 1 94 HIS HE1 . . 4.500 3.401 2.696 4.545 0.045 13 0 "[ . 1 . 2]" 1
903 1 76 GLN H 1 76 GLN HB2 . . 3.980 2.508 2.183 2.699 . 0 0 "[ . 1 . 2]" 1
904 1 76 GLN H 1 76 GLN QB . . 3.490 2.263 2.112 2.466 . 0 0 "[ . 1 . 2]" 1
905 1 76 GLN H 1 76 GLN HB3 . . 3.980 2.739 2.395 3.678 . 0 0 "[ . 1 . 2]" 1
906 1 76 GLN H 1 77 GLU H . . 5.500 4.573 4.518 4.626 . 0 0 "[ . 1 . 2]" 1
907 1 76 GLN H 1 92 LYS QG . . 5.340 5.221 4.430 5.463 0.123 19 0 "[ . 1 . 2]" 1
908 1 76 GLN H 1 93 LEU H . . 5.500 3.769 3.534 3.990 . 0 0 "[ . 1 . 2]" 1
909 1 76 GLN H 1 93 LEU HB2 . . 5.500 5.136 3.615 5.552 0.052 7 0 "[ . 1 . 2]" 1
910 1 76 GLN H 1 93 LEU HB3 . . 5.500 4.038 3.396 5.023 . 0 0 "[ . 1 . 2]" 1
911 1 76 GLN HA 1 77 GLU H . . 3.480 2.218 2.112 2.310 . 0 0 "[ . 1 . 2]" 1
912 1 76 GLN HA 1 77 GLU QB . . 5.190 4.272 3.791 4.560 . 0 0 "[ . 1 . 2]" 1
913 1 76 GLN QB 1 93 LEU H . . 5.340 3.965 3.419 4.467 . 0 0 "[ . 1 . 2]" 1
914 1 76 GLN QB 1 93 LEU QB . . 5.180 3.298 2.429 4.100 . 0 0 "[ . 1 . 2]" 1
915 1 76 GLN HB2 1 77 GLU H . . 5.440 4.082 3.903 4.342 . 0 0 "[ . 1 . 2]" 1
916 1 76 GLN HB3 1 77 GLU H . . 5.440 3.713 2.696 4.169 . 0 0 "[ . 1 . 2]" 1
917 1 76 GLN QG 1 77 GLU H . . 6.380 3.057 2.330 4.402 . 0 0 "[ . 1 . 2]" 1
918 1 76 GLN QG 1 78 LEU QD . . 7.260 3.399 2.118 6.104 . 0 0 "[ . 1 . 2]" 1
919 1 77 GLU H 1 77 GLU QB . . 3.570 2.445 2.245 2.955 . 0 0 "[ . 1 . 2]" 1
920 1 77 GLU H 1 77 GLU HG2 . . 5.500 3.825 2.351 4.434 . 0 0 "[ . 1 . 2]" 1
921 1 77 GLU H 1 77 GLU HG3 . . 5.500 3.313 2.336 4.577 . 0 0 "[ . 1 . 2]" 1
922 1 77 GLU H 1 78 LEU H . . 5.500 4.336 4.265 4.416 . 0 0 "[ . 1 . 2]" 1
923 1 77 GLU H 1 92 LYS HA . . 5.500 4.791 4.381 5.132 . 0 0 "[ . 1 . 2]" 1
924 1 77 GLU HA 1 78 LEU QD . . 6.420 3.628 2.624 5.155 . 0 0 "[ . 1 . 2]" 1
925 1 77 GLU HA 1 93 LEU H . . 4.970 3.730 3.375 4.171 . 0 0 "[ . 1 . 2]" 1
926 1 77 GLU HB2 1 78 LEU H . . 5.280 4.064 2.826 4.266 . 0 0 "[ . 1 . 2]" 1
927 1 77 GLU HB3 1 78 LEU H . . 5.280 3.479 2.921 4.195 . 0 0 "[ . 1 . 2]" 1
928 1 77 GLU QG 1 90 LEU QB . . 5.180 3.708 2.220 5.272 0.092 19 0 "[ . 1 . 2]" 1
929 1 77 GLU QG 1 90 LEU QD . . 5.610 3.486 2.179 4.688 . 0 0 "[ . 1 . 2]" 1
930 1 77 GLU HG2 1 78 LEU H . . 5.500 4.200 3.107 5.389 . 0 0 "[ . 1 . 2]" 1
931 1 77 GLU HG3 1 78 LEU H . . 5.500 4.525 3.050 5.533 0.033 7 0 "[ . 1 . 2]" 1
932 1 78 LEU H 1 78 LEU QB . . 3.660 2.416 2.219 2.528 . 0 0 "[ . 1 . 2]" 1
933 1 78 LEU H 1 78 LEU HG . . 5.500 3.610 2.485 4.417 . 0 0 "[ . 1 . 2]" 1
934 1 78 LEU H 1 79 ALA H . . 5.310 4.455 4.385 4.529 . 0 0 "[ . 1 . 2]" 1
935 1 78 LEU H 1 79 ALA HA . . 5.440 4.937 4.836 5.039 . 0 0 "[ . 1 . 2]" 1
936 1 78 LEU H 1 79 ALA MB . . 6.520 5.281 5.130 5.420 . 0 0 "[ . 1 . 2]" 1
937 1 78 LEU H 1 90 LEU HA . . 5.500 4.476 4.237 4.704 . 0 0 "[ . 1 . 2]" 1
938 1 78 LEU H 1 91 PHE HA . . 5.500 4.614 4.465 4.729 . 0 0 "[ . 1 . 2]" 1
939 1 78 LEU H 1 91 PHE HB2 . . 5.500 3.618 3.215 4.076 . 0 0 "[ . 1 . 2]" 1
940 1 78 LEU H 1 91 PHE HB3 . . 5.500 4.464 4.220 4.834 . 0 0 "[ . 1 . 2]" 1
941 1 78 LEU H 1 92 LYS HA . . 5.190 3.391 3.066 3.801 . 0 0 "[ . 1 . 2]" 1
942 1 78 LEU H 1 93 LEU H . . 5.500 4.371 3.981 4.598 . 0 0 "[ . 1 . 2]" 1
943 1 78 LEU H 1 93 LEU QB . . 5.340 4.725 4.241 5.339 . 0 0 "[ . 1 . 2]" 1
944 1 78 LEU HA 1 79 ALA H . . 3.550 2.226 2.183 2.264 . 0 0 "[ . 1 . 2]" 1
945 1 78 LEU HA 1 79 ALA MB . . 6.520 3.963 3.854 4.022 . 0 0 "[ . 1 . 2]" 1
946 1 78 LEU QB 1 79 ALA H . . 4.380 3.081 2.901 3.782 . 0 0 "[ . 1 . 2]" 1
947 1 78 LEU QB 1 79 ALA MB . . 6.290 4.539 4.409 4.975 . 0 0 "[ . 1 . 2]" 1
948 1 78 LEU QB 1 80 VAL QG . . 6.190 3.424 2.560 4.937 . 0 0 "[ . 1 . 2]" 1
949 1 78 LEU QB 1 93 LEU QB . . 5.180 4.209 2.876 5.213 0.033 10 0 "[ . 1 . 2]" 1
950 1 78 LEU QB 1 93 LEU QD . . 6.190 4.251 2.056 4.843 . 0 0 "[ . 1 . 2]" 1
951 1 78 LEU HB2 1 91 PHE H . . 5.500 3.454 2.880 4.828 . 0 0 "[ . 1 . 2]" 1
952 1 78 LEU HB2 1 91 PHE HB2 . . 5.500 2.710 1.972 4.265 . 0 0 "[ . 1 . 2]" 1
953 1 78 LEU HB2 1 91 PHE HB3 . . 5.500 3.966 3.490 5.270 . 0 0 "[ . 1 . 2]" 1
954 1 78 LEU HB3 1 91 PHE H . . 5.500 4.290 2.962 4.722 . 0 0 "[ . 1 . 2]" 1
955 1 78 LEU HB3 1 91 PHE HB2 . . 5.500 3.725 2.133 4.295 . 0 0 "[ . 1 . 2]" 1
956 1 78 LEU HB3 1 91 PHE HB3 . . 5.500 5.131 3.046 5.547 0.047 18 0 "[ . 1 . 2]" 1
957 1 78 LEU QD 1 93 LEU HA . . 6.420 4.121 3.538 5.711 . 0 0 "[ . 1 . 2]" 1
958 1 78 LEU MD1 1 79 ALA H . . 6.520 4.338 2.384 4.974 . 0 0 "[ . 1 . 2]" 1
959 1 78 LEU MD2 1 79 ALA H . . 6.520 4.358 3.074 4.935 . 0 0 "[ . 1 . 2]" 1
960 1 78 LEU HG 1 79 ALA H . . 5.500 4.572 2.962 5.273 . 0 0 "[ . 1 . 2]" 1
961 1 79 ALA H 1 80 VAL H . . 5.500 4.310 4.247 4.400 . 0 0 "[ . 1 . 2]" 1
962 1 79 ALA HA 1 88 THR MG . . 6.520 3.964 2.884 5.522 . 0 0 "[ . 1 . 2]" 1
963 1 79 ALA HA 1 89 VAL H . . 5.500 4.848 4.466 5.269 . 0 0 "[ . 1 . 2]" 1
964 1 79 ALA HA 1 90 LEU HA . . 4.260 2.729 2.373 2.999 . 0 0 "[ . 1 . 2]" 1
965 1 79 ALA HA 1 90 LEU QD . . 6.070 2.212 1.973 2.952 . 0 0 "[ . 1 . 2]" 1
966 1 79 ALA HA 1 91 PHE H . . 4.970 3.771 3.376 4.080 . 0 0 "[ . 1 . 2]" 1
967 1 79 ALA MB 1 80 VAL H . . 6.520 3.193 3.032 3.275 . 0 0 "[ . 1 . 2]" 1
968 1 79 ALA MB 1 89 VAL H . . 6.520 5.047 4.516 5.452 . 0 0 "[ . 1 . 2]" 1
969 1 79 ALA MB 1 90 LEU QD . . 7.390 2.529 2.210 3.104 . 0 0 "[ . 1 . 2]" 1
970 1 80 VAL H 1 81 ALA H . . 5.500 4.341 4.280 4.397 . 0 0 "[ . 1 . 2]" 1
971 1 80 VAL H 1 88 THR MG . . 6.520 3.585 2.550 4.974 . 0 0 "[ . 1 . 2]" 1
972 1 80 VAL H 1 89 VAL HB . . 5.500 4.375 3.733 5.371 . 0 0 "[ . 1 . 2]" 1
973 1 80 VAL H 1 90 LEU HA . . 5.190 3.361 2.990 3.654 . 0 0 "[ . 1 . 2]" 1
974 1 80 VAL H 1 90 LEU QD . . 6.420 3.396 2.873 4.344 . 0 0 "[ . 1 . 2]" 1
975 1 80 VAL H 1 91 PHE QE . . 7.630 4.954 4.170 5.951 . 0 0 "[ . 1 . 2]" 1
976 1 80 VAL HA 1 81 ALA H . . 3.550 2.112 2.071 2.143 . 0 0 "[ . 1 . 2]" 1
977 1 80 VAL HB 1 81 ALA H . . 5.500 3.906 2.923 4.207 . 0 0 "[ . 1 . 2]" 1
978 1 80 VAL HB 1 89 VAL HB . . 5.500 4.161 2.374 4.803 . 0 0 "[ . 1 . 2]" 1
979 1 80 VAL HB 1 89 VAL QG . . 6.420 3.846 1.800 4.966 . 0 0 "[ . 1 . 2]" 1
980 1 80 VAL HB 1 90 LEU QD . . 6.420 5.490 4.709 6.284 . 0 0 "[ . 1 . 2]" 1
981 1 80 VAL HB 1 91 PHE QD . . 7.160 3.452 2.442 4.977 . 0 0 "[ . 1 . 2]" 1
982 1 80 VAL HB 1 91 PHE QE . . 6.580 3.443 2.329 4.535 . 0 0 "[ . 1 . 2]" 1
983 1 80 VAL QG 1 81 ALA H . . 6.360 2.763 2.462 3.413 . 0 0 "[ . 1 . 2]" 1
984 1 80 VAL QG 1 81 ALA HA . . 6.420 3.543 3.274 3.744 . 0 0 "[ . 1 . 2]" 1
985 1 80 VAL QG 1 91 PHE H . . 6.420 3.710 2.767 4.390 . 0 0 "[ . 1 . 2]" 1
986 1 80 VAL QG 1 91 PHE QB . . 6.190 3.370 2.369 4.427 . 0 0 "[ . 1 . 2]" 1
987 1 80 VAL QG 1 91 PHE QD . . 6.970 2.309 1.910 3.139 . 0 0 "[ . 1 . 2]" 1
988 1 80 VAL QG 1 91 PHE QE . . 6.680 2.250 1.786 3.014 . 0 0 "[ . 1 . 2]" 1
989 1 80 VAL QG 1 91 PHE HZ . . 4.770 3.721 2.861 4.375 . 0 0 "[ . 1 . 2]" 1
990 1 81 ALA H 1 82 ASP H . . 5.500 4.385 4.304 4.462 . 0 0 "[ . 1 . 2]" 1
991 1 81 ALA H 1 88 THR MG . . 6.520 4.650 3.726 6.537 0.017 15 0 "[ . 1 . 2]" 1
992 1 81 ALA HA 1 88 THR H . . 5.500 5.277 4.781 5.521 0.021 5 0 "[ . 1 . 2]" 1
993 1 81 ALA HA 1 88 THR HA . . 4.380 2.788 2.459 3.311 . 0 0 "[ . 1 . 2]" 1
994 1 81 ALA HA 1 89 VAL H . . 5.500 3.753 3.226 4.548 . 0 0 "[ . 1 . 2]" 1
995 1 81 ALA MB 1 82 ASP H . . 6.520 2.822 2.656 2.999 . 0 0 "[ . 1 . 2]" 1
996 1 81 ALA MB 1 88 THR HA . . 6.520 3.731 3.083 4.491 . 0 0 "[ . 1 . 2]" 1
997 1 82 ASP H 1 83 VAL H . . 5.500 4.448 4.398 4.497 . 0 0 "[ . 1 . 2]" 1
998 1 82 ASP H 1 85 THR H . . 5.500 4.295 3.303 4.907 . 0 0 "[ . 1 . 2]" 1
999 1 82 ASP H 1 85 THR HB . . 5.500 4.184 2.396 5.592 0.092 18 0 "[ . 1 . 2]" 1
1000 1 82 ASP H 1 85 THR MG . . 6.520 4.901 3.684 6.285 . 0 0 "[ . 1 . 2]" 1
1001 1 82 ASP HA 1 83 VAL MG1 . . 6.520 3.605 3.431 4.052 . 0 0 "[ . 1 . 2]" 1
1002 1 82 ASP HA 1 83 VAL MG2 . . 6.520 4.057 3.890 5.503 . 0 0 "[ . 1 . 2]" 1
1003 1 82 ASP HA 1 84 THR H . . 5.500 4.080 3.637 4.389 . 0 0 "[ . 1 . 2]" 1
1004 1 82 ASP QB 1 83 VAL QG . . 6.190 3.954 3.172 4.284 . 0 0 "[ . 1 . 2]" 1
1005 1 82 ASP QB 1 84 THR H . . 4.700 3.161 1.907 3.850 . 0 0 "[ . 1 . 2]" 1
1006 1 82 ASP QB 1 85 THR H . . 4.940 2.415 1.631 2.921 . 0 0 "[ . 1 . 2]" 1
1007 1 82 ASP QB 1 85 THR MG . . 6.290 3.549 2.363 4.238 . 0 0 "[ . 1 . 2]" 1
1008 1 82 ASP HB2 1 83 VAL H . . 5.500 3.810 3.485 4.057 . 0 0 "[ . 1 . 2]" 1
1009 1 82 ASP HB2 1 84 THR H . . 5.500 4.087 2.675 4.859 . 0 0 "[ . 1 . 2]" 1
1010 1 82 ASP HB3 1 83 VAL H . . 5.500 3.366 2.410 3.866 . 0 0 "[ . 1 . 2]" 1
1011 1 82 ASP HB3 1 84 THR H . . 5.500 3.302 1.930 4.125 . 0 0 "[ . 1 . 2]" 1
1012 1 83 VAL H 1 84 THR H . . 4.420 2.371 2.147 2.458 . 0 0 "[ . 1 . 2]" 1
1013 1 83 VAL H 1 84 THR MG . . 6.520 4.029 3.497 5.533 . 0 0 "[ . 1 . 2]" 1
1014 1 83 VAL H 1 85 THR H . . 5.500 3.757 3.535 3.961 . 0 0 "[ . 1 . 2]" 1
1015 1 83 VAL HB 1 84 THR H . . 5.500 4.024 3.820 4.090 . 0 0 "[ . 1 . 2]" 1
1016 1 83 VAL HB 1 84 THR MG . . 6.520 4.509 3.901 6.550 0.030 6 0 "[ . 1 . 2]" 1
1017 1 83 VAL QG 1 85 THR H . . 6.420 4.129 3.897 4.252 . 0 0 "[ . 1 . 2]" 1
1018 1 83 VAL MG1 1 84 THR H . . 6.520 3.990 2.535 4.147 . 0 0 "[ . 1 . 2]" 1
1019 1 83 VAL MG2 1 84 THR H . . 6.520 2.583 2.253 3.968 . 0 0 "[ . 1 . 2]" 1
1020 1 84 THR HB 1 85 THR H . . 5.500 3.999 3.123 4.385 . 0 0 "[ . 1 . 2]" 1
1021 1 84 THR MG 1 85 THR H . . 6.520 3.722 2.594 4.240 . 0 0 "[ . 1 . 2]" 1
1022 1 85 THR H 1 86 PRO HD2 . . 5.500 5.071 4.898 5.381 . 0 0 "[ . 1 . 2]" 1
1023 1 85 THR H 1 86 PRO HD3 . . 5.500 4.561 4.334 4.802 . 0 0 "[ . 1 . 2]" 1
1024 1 85 THR HB 1 86 PRO HD2 . . 5.500 3.958 2.547 4.820 . 0 0 "[ . 1 . 2]" 1
1025 1 85 THR HB 1 86 PRO HD3 . . 5.500 4.548 3.701 4.907 . 0 0 "[ . 1 . 2]" 1
1026 1 85 THR HB 1 87 GLN H . . 5.500 3.228 2.274 4.193 . 0 0 "[ . 1 . 2]" 1
1027 1 85 THR MG 1 86 PRO QD . . 6.290 2.564 2.190 3.347 . 0 0 "[ . 1 . 2]" 1
1028 1 85 THR MG 1 87 GLN H . . 6.520 2.616 1.680 4.384 . 0 0 "[ . 1 . 2]" 1
1029 1 86 PRO QD 1 87 GLN HA . . 5.350 4.926 4.365 5.291 . 0 0 "[ . 1 . 2]" 1
1030 1 86 PRO HD2 1 87 GLN H . . 5.500 2.891 2.110 3.591 . 0 0 "[ . 1 . 2]" 1
1031 1 86 PRO HD3 1 87 GLN H . . 5.500 3.981 3.509 4.438 . 0 0 "[ . 1 . 2]" 1
1032 1 87 GLN H 1 88 THR H . . 5.500 4.454 4.271 4.581 . 0 0 "[ . 1 . 2]" 1
1033 1 87 GLN HA 1 88 THR H . . 3.420 2.242 2.148 2.404 . 0 0 "[ . 1 . 2]" 1
1034 1 87 GLN QB 1 88 THR H . . 4.000 3.005 2.288 3.909 . 0 0 "[ . 1 . 2]" 1
1035 1 87 GLN HB2 1 88 THR H . . 4.630 3.723 2.311 4.375 . 0 0 "[ . 1 . 2]" 1
1036 1 87 GLN HB3 1 88 THR H . . 4.630 3.419 2.430 4.400 . 0 0 "[ . 1 . 2]" 1
1037 1 87 GLN QG 1 88 THR H . . 6.380 3.592 2.485 4.632 . 0 0 "[ . 1 . 2]" 1
1038 1 88 THR H 1 88 THR HB . . 3.730 2.787 2.430 3.611 . 0 0 "[ . 1 . 2]" 1
1039 1 88 THR H 1 89 VAL H . . 5.500 4.419 4.333 4.497 . 0 0 "[ . 1 . 2]" 1
1040 1 88 THR H 1 89 VAL QG . . 6.420 4.380 4.024 4.682 . 0 0 "[ . 1 . 2]" 1
1041 1 88 THR HB 1 89 VAL H . . 5.220 3.935 3.035 4.196 . 0 0 "[ . 1 . 2]" 1
1042 1 88 THR MG 1 89 VAL H . . 6.520 3.154 2.597 3.962 . 0 0 "[ . 1 . 2]" 1
1043 1 88 THR MG 1 89 VAL HA . . 6.520 4.236 3.739 5.508 . 0 0 "[ . 1 . 2]" 1
1044 1 88 THR MG 1 90 LEU H . . 6.520 5.041 4.395 6.595 0.075 7 0 "[ . 1 . 2]" 1
1045 1 88 THR MG 1 90 LEU QD . . 7.390 3.207 2.366 4.568 . 0 0 "[ . 1 . 2]" 1
1046 1 89 VAL H 1 90 LEU H . . 5.500 4.423 4.341 4.508 . 0 0 "[ . 1 . 2]" 1
1047 1 89 VAL H 1 90 LEU QD . . 6.420 4.353 3.777 5.695 . 0 0 "[ . 1 . 2]" 1
1048 1 89 VAL HA 1 90 LEU H . . 3.420 2.196 2.160 2.271 . 0 0 "[ . 1 . 2]" 1
1049 1 89 VAL HB 1 90 LEU H . . 4.970 3.714 2.894 4.062 . 0 0 "[ . 1 . 2]" 1
1050 1 89 VAL HB 1 91 PHE QE . . 7.480 2.848 2.133 4.307 . 0 0 "[ . 1 . 2]" 1
1051 1 89 VAL QG 1 90 LEU HA . . 6.420 3.899 3.758 4.194 . 0 0 "[ . 1 . 2]" 1
1052 1 89 VAL QG 1 91 PHE QD . . 7.910 3.224 2.651 4.017 . 0 0 "[ . 1 . 2]" 1
1053 1 89 VAL QG 1 91 PHE QE . . 7.230 2.575 1.828 3.659 . 0 0 "[ . 1 . 2]" 1
1054 1 89 VAL QG 1 91 PHE HZ . . 5.410 3.214 2.746 3.905 . 0 0 "[ . 1 . 2]" 1
1055 1 89 VAL MG1 1 90 LEU H . . 6.520 2.778 2.393 3.895 . 0 0 "[ . 1 . 2]" 1
1056 1 89 VAL MG1 1 91 PHE QE . . 8.650 3.103 2.361 4.175 . 0 0 "[ . 1 . 2]" 1
1057 1 89 VAL MG2 1 90 LEU H . . 6.520 3.999 3.786 4.099 . 0 0 "[ . 1 . 2]" 1
1058 1 89 VAL MG2 1 91 PHE QE . . 8.650 3.404 1.831 5.037 . 0 0 "[ . 1 . 2]" 1
1059 1 90 LEU H 1 90 LEU HG . . 4.790 3.583 2.683 4.714 . 0 0 "[ . 1 . 2]" 1
1060 1 90 LEU HA 1 91 PHE H . . 3.550 2.133 2.065 2.211 . 0 0 "[ . 1 . 2]" 1
1061 1 90 LEU HA 1 91 PHE QB . . 4.880 4.286 4.152 4.446 . 0 0 "[ . 1 . 2]" 1
1062 1 90 LEU QB 1 91 PHE QD . . 7.320 5.011 4.518 5.673 . 0 0 "[ . 1 . 2]" 1
1063 1 90 LEU QD 1 91 PHE H . . 6.420 3.376 2.331 3.566 . 0 0 "[ . 1 . 2]" 1
1064 1 91 PHE H 1 92 LYS H . . 5.500 4.353 4.281 4.394 . 0 0 "[ . 1 . 2]" 1
1065 1 91 PHE HB2 1 92 LYS H . . 5.280 4.060 3.905 4.147 . 0 0 "[ . 1 . 2]" 1
1066 1 91 PHE HB3 1 92 LYS H . . 5.280 2.955 2.792 3.101 . 0 0 "[ . 1 . 2]" 1
1067 1 92 LYS H 1 93 LEU H . . 5.190 4.331 4.227 4.417 . 0 0 "[ . 1 . 2]" 1
1068 1 92 LYS H 1 93 LEU QD . . 6.420 5.341 3.889 5.705 . 0 0 "[ . 1 . 2]" 1
1069 1 92 LYS H 1 94 HIS HD2 . . 5.500 4.560 4.348 4.774 . 0 0 "[ . 1 . 2]" 1
1070 1 92 LYS HA 1 93 LEU QB . . 5.340 3.909 3.773 4.271 . 0 0 "[ . 1 . 2]" 1
1071 1 92 LYS QB 1 94 HIS HE1 . . 3.640 3.563 3.432 3.780 0.140 13 0 "[ . 1 . 2]" 1
1072 1 92 LYS QD 1 94 HIS HE1 . . 6.380 3.890 3.239 6.021 . 0 0 "[ . 1 . 2]" 1
1073 1 92 LYS QE 1 94 HIS HE1 . . 6.380 4.283 2.504 6.156 . 0 0 "[ . 1 . 2]" 1
1074 1 92 LYS QG 1 94 HIS HE1 . . 4.940 4.866 2.689 5.063 0.123 9 0 "[ . 1 . 2]" 1
1075 1 92 LYS HG2 1 93 LEU H . . 5.500 4.185 3.893 5.142 . 0 0 "[ . 1 . 2]" 1
1076 1 92 LYS HG3 1 93 LEU H . . 5.500 4.740 2.668 5.012 . 0 0 "[ . 1 . 2]" 1
1077 1 93 LEU H 1 93 LEU HB2 . . 4.010 2.623 2.385 2.820 . 0 0 "[ . 1 . 2]" 1
1078 1 93 LEU H 1 93 LEU QB . . 3.490 2.322 2.250 2.385 . 0 0 "[ . 1 . 2]" 1
1079 1 93 LEU H 1 93 LEU HB3 . . 4.010 2.675 2.395 3.632 . 0 0 "[ . 1 . 2]" 1
1080 1 93 LEU H 1 93 LEU HG . . 5.500 4.596 4.164 4.773 . 0 0 "[ . 1 . 2]" 1
1081 1 93 LEU H 1 94 HIS HD2 . . 3.950 4.095 4.058 4.133 0.183 13 0 "[ . 1 . 2]" 1
1082 1 93 LEU HA 1 94 HIS QB . . 5.030 4.310 4.207 4.446 . 0 0 "[ . 1 . 2]" 1
1083 1 93 LEU HA 1 94 HIS HD2 . . 4.170 3.197 3.124 3.276 . 0 0 "[ . 1 . 2]" 1
1084 1 93 LEU QB 1 94 HIS H . . 4.460 3.712 3.227 3.820 . 0 0 "[ . 1 . 2]" 1
1085 1 93 LEU QB 1 95 PHE QD . . 6.830 4.842 3.475 5.196 . 0 0 "[ . 1 . 2]" 1
1086 1 93 LEU HB2 1 94 HIS H . . 5.160 4.345 4.237 4.475 . 0 0 "[ . 1 . 2]" 1
1087 1 93 LEU HB3 1 94 HIS H . . 5.160 4.047 3.339 4.237 . 0 0 "[ . 1 . 2]" 1
1088 1 93 LEU QD 1 95 PHE H . . 6.420 4.174 3.564 5.892 . 0 0 "[ . 1 . 2]" 1
1089 1 93 LEU QD 1 95 PHE QE . . 7.410 2.814 2.587 3.987 . 0 0 "[ . 1 . 2]" 1
1090 1 93 LEU QD 1 95 PHE HZ . . 4.540 2.891 2.215 3.962 . 0 0 "[ . 1 . 2]" 1
1091 1 93 LEU MD1 1 94 HIS H . . 6.520 2.486 2.253 3.489 . 0 0 "[ . 1 . 2]" 1
1092 1 93 LEU MD1 1 94 HIS HD2 . . 6.520 4.659 4.412 4.817 . 0 0 "[ . 1 . 2]" 1
1093 1 93 LEU MD1 1 95 PHE QE . . 8.650 3.108 2.601 4.171 . 0 0 "[ . 1 . 2]" 1
1094 1 93 LEU MD2 1 94 HIS H . . 6.520 3.626 2.925 4.707 . 0 0 "[ . 1 . 2]" 1
1095 1 93 LEU MD2 1 94 HIS HD2 . . 6.520 5.196 4.695 6.371 . 0 0 "[ . 1 . 2]" 1
1096 1 93 LEU MD2 1 95 PHE QE . . 8.650 4.134 2.654 5.068 . 0 0 "[ . 1 . 2]" 1
1097 1 93 LEU HG 1 95 PHE HZ . . 3.980 3.810 3.273 4.007 0.027 3 0 "[ . 1 . 2]" 1
1098 1 94 HIS H 1 94 HIS HD2 . . 3.920 2.748 2.664 2.855 . 0 0 "[ . 1 . 2]" 1
1099 1 94 HIS H 1 95 PHE HA . . 5.500 4.691 4.574 4.843 . 0 0 "[ . 1 . 2]" 1
1100 1 94 HIS QB 1 94 HIS HD2 . . 3.320 2.811 2.756 2.866 . 0 0 "[ . 1 . 2]" 1
1101 1 94 HIS QB 1 95 PHE H . . 3.940 3.182 3.105 3.393 . 0 0 "[ . 1 . 2]" 1
1102 1 94 HIS HB2 1 94 HIS HD2 . . 3.830 2.882 2.819 2.946 . 0 0 "[ . 1 . 2]" 1
1103 1 94 HIS HB3 1 94 HIS HD2 . . 3.830 3.905 3.892 3.924 0.094 1 0 "[ . 1 . 2]" 1
1104 1 95 PHE H 1 96 THR H . . 5.500 4.380 4.261 4.493 . 0 0 "[ . 1 . 2]" 1
1105 1 95 PHE HB2 1 96 THR H . . 5.500 4.180 4.048 4.317 . 0 0 "[ . 1 . 2]" 1
1106 1 95 PHE HB3 1 96 THR H . . 5.500 3.201 2.885 3.506 . 0 0 "[ . 1 . 2]" 1
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