NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
535066 |
2lmr   |
18134 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lmr
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 1144
_Distance_constraint_stats_list.Viol_count 2426
_Distance_constraint_stats_list.Viol_total 2047.753
_Distance_constraint_stats_list.Viol_max 0.211
_Distance_constraint_stats_list.Viol_rms 0.0180
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0422
_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 22 ILE 0.579 0.116 10 0 "[ . 1 . 2]"
1 27 THR 0.065 0.065 8 0 "[ . 1 . 2]"
1 28 LEU 0.455 0.211 18 0 "[ . 1 . 2]"
1 29 GLU 0.701 0.104 18 0 "[ . 1 . 2]"
1 30 GLN 0.247 0.021 5 0 "[ . 1 . 2]"
1 31 SER 0.370 0.043 3 0 "[ . 1 . 2]"
1 32 VAL 0.878 0.048 13 0 "[ . 1 . 2]"
1 33 GLY 2.114 0.072 20 0 "[ . 1 . 2]"
1 34 GLU 1.480 0.061 19 0 "[ . 1 . 2]"
1 35 TRP 4.142 0.080 7 0 "[ . 1 . 2]"
1 36 LEU 6.852 0.089 8 0 "[ . 1 . 2]"
1 37 GLU 4.569 0.128 7 0 "[ . 1 . 2]"
1 38 SER 1.787 0.071 20 0 "[ . 1 . 2]"
1 39 ILE 2.539 0.152 19 0 "[ . 1 . 2]"
1 40 GLY 1.813 0.116 19 0 "[ . 1 . 2]"
1 41 LEU 1.160 0.068 12 0 "[ . 1 . 2]"
1 42 GLN 3.596 0.128 7 0 "[ . 1 . 2]"
1 43 GLN 4.321 0.152 19 0 "[ . 1 . 2]"
1 44 TYR 5.233 0.147 20 0 "[ . 1 . 2]"
1 45 GLU 0.247 0.065 19 0 "[ . 1 . 2]"
1 46 SER 5.742 0.191 13 0 "[ . 1 . 2]"
1 47 LYS 3.307 0.148 16 0 "[ . 1 . 2]"
1 48 LEU 4.671 0.125 2 0 "[ . 1 . 2]"
1 49 LEU 6.679 0.191 13 0 "[ . 1 . 2]"
1 50 LEU 5.153 0.183 7 0 "[ . 1 . 2]"
1 51 ASN 1.526 0.093 4 0 "[ . 1 . 2]"
1 52 GLY 2.790 0.125 2 0 "[ . 1 . 2]"
1 53 PHE 2.485 0.092 4 0 "[ . 1 . 2]"
1 54 ASP 1.223 0.065 6 0 "[ . 1 . 2]"
1 55 ASP 0.387 0.049 17 0 "[ . 1 . 2]"
1 56 VAL 0.786 0.146 10 0 "[ . 1 . 2]"
1 57 HIS 0.409 0.041 12 0 "[ . 1 . 2]"
1 58 PHE 0.636 0.041 12 0 "[ . 1 . 2]"
1 59 LEU 0.630 0.146 10 0 "[ . 1 . 2]"
1 60 GLY 0.165 0.024 10 0 "[ . 1 . 2]"
1 61 SER 0.010 0.006 10 0 "[ . 1 . 2]"
1 62 ASN 0.051 0.033 17 0 "[ . 1 . 2]"
1 63 VAL 1.179 0.092 4 0 "[ . 1 . 2]"
1 64 MET 1.433 0.113 7 0 "[ . 1 . 2]"
1 65 GLU 2.615 0.117 20 0 "[ . 1 . 2]"
1 66 GLU 0.135 0.047 9 0 "[ . 1 . 2]"
1 67 GLN 1.022 0.050 8 0 "[ . 1 . 2]"
1 68 ASP 1.792 0.101 16 0 "[ . 1 . 2]"
1 69 LEU 3.421 0.188 15 0 "[ . 1 . 2]"
1 70 ARG 10.872 0.191 9 0 "[ . 1 . 2]"
1 71 ASP 4.953 0.191 9 0 "[ . 1 . 2]"
1 72 ILE 7.514 0.188 15 0 "[ . 1 . 2]"
1 73 GLY 0.184 0.026 7 0 "[ . 1 . 2]"
1 74 ILE 4.762 0.173 9 0 "[ . 1 . 2]"
1 75 SER 0.527 0.051 7 0 "[ . 1 . 2]"
1 76 ASP 6.830 0.105 7 0 "[ . 1 . 2]"
1 77 PRO 2.311 0.106 16 0 "[ . 1 . 2]"
1 78 GLN 1.933 0.085 10 0 "[ . 1 . 2]"
1 79 HIS 10.813 0.140 12 0 "[ . 1 . 2]"
1 80 ARG 11.696 0.202 16 0 "[ . 1 . 2]"
1 81 ARG 0.615 0.041 1 0 "[ . 1 . 2]"
1 82 LYS 2.703 0.088 7 0 "[ . 1 . 2]"
1 83 LEU 2.378 0.129 18 0 "[ . 1 . 2]"
1 84 LEU 4.351 0.128 19 0 "[ . 1 . 2]"
1 85 GLN 0.985 0.025 19 0 "[ . 1 . 2]"
1 86 ALA 3.192 0.146 19 0 "[ . 1 . 2]"
1 87 ALA 1.256 0.047 9 0 "[ . 1 . 2]"
1 88 ARG 0.154 0.024 10 0 "[ . 1 . 2]"
1 89 SER 0.899 0.054 19 0 "[ . 1 . 2]"
1 90 LEU 2.137 0.054 19 0 "[ . 1 . 2]"
1 91 PRO 0.024 0.024 11 0 "[ . 1 . 2]"
1 92 LYS 0.162 0.104 11 0 "[ . 1 . 2]"
1 93 VAL 0.043 0.034 20 0 "[ . 1 . 2]"
1 94 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ALA 0.026 0.026 13 0 "[ . 1 . 2]"
1 96 LEU 0.489 0.133 11 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 22 ILE HA 1 22 ILE HB . . 2.900 2.599 2.356 3.016 0.116 10 0 "[ . 1 . 2]" 1
2 1 27 THR HA 1 27 THR HB . . 2.800 2.598 2.381 2.865 0.065 8 0 "[ . 1 . 2]" 1
3 1 27 THR HA 1 27 THR MG . . 3.480 2.203 1.964 2.486 . 0 0 "[ . 1 . 2]" 1
4 1 27 THR HA 1 28 LEU H . . 2.860 2.440 2.236 2.666 . 0 0 "[ . 1 . 2]" 1
5 1 27 THR HB 1 28 LEU H . . 3.020 2.428 1.994 2.870 . 0 0 "[ . 1 . 2]" 1
6 1 27 THR MG 1 28 LEU H . . 6.490 3.287 2.392 3.795 . 0 0 "[ . 1 . 2]" 1
7 1 27 THR MG 1 30 GLN HE21 . . 6.520 5.237 3.532 6.515 . 0 0 "[ . 1 . 2]" 1
8 1 27 THR MG 1 30 GLN HE22 . . 6.520 5.041 3.113 6.502 . 0 0 "[ . 1 . 2]" 1
9 1 28 LEU H 1 28 LEU HA . . 2.900 2.851 2.273 2.924 0.024 12 0 "[ . 1 . 2]" 1
10 1 28 LEU H 1 28 LEU HG . . 4.200 3.386 2.541 4.411 0.211 18 0 "[ . 1 . 2]" 1
11 1 28 LEU HA 1 29 GLU H . . 3.020 2.724 2.294 3.124 0.104 18 0 "[ . 1 . 2]" 1
12 1 28 LEU QB 1 29 GLU H . . 4.860 3.013 1.941 4.023 . 0 0 "[ . 1 . 2]" 1
13 1 28 LEU QD 1 29 GLU H . . 5.700 3.569 2.627 4.503 . 0 0 "[ . 1 . 2]" 1
14 1 28 LEU MD1 1 29 GLU H . . 6.520 4.363 2.702 5.594 . 0 0 "[ . 1 . 2]" 1
15 1 28 LEU MD2 1 29 GLU H . . 6.520 4.207 2.642 5.556 . 0 0 "[ . 1 . 2]" 1
16 1 29 GLU H 1 29 GLU QB . . 3.210 2.866 2.313 3.173 . 0 0 "[ . 1 . 2]" 1
17 1 29 GLU H 1 30 GLN H . . 2.960 2.754 1.966 2.971 0.011 1 0 "[ . 1 . 2]" 1
18 1 29 GLU HA 1 29 GLU HB2 . . 2.900 2.661 2.421 2.980 0.080 18 0 "[ . 1 . 2]" 1
19 1 29 GLU HA 1 29 GLU HB3 . . 2.900 2.704 2.349 2.937 0.037 7 0 "[ . 1 . 2]" 1
20 1 29 GLU HA 1 30 GLN H . . 2.830 2.777 2.429 2.843 0.013 4 0 "[ . 1 . 2]" 1
21 1 30 GLN H 1 30 GLN QG . . 4.830 2.510 1.975 4.095 . 0 0 "[ . 1 . 2]" 1
22 1 30 GLN H 1 31 SER H . . 4.690 4.480 4.304 4.634 . 0 0 "[ . 1 . 2]" 1
23 1 30 GLN HA 1 31 SER H . . 3.020 2.264 2.138 2.707 . 0 0 "[ . 1 . 2]" 1
24 1 30 GLN HA 1 34 GLU QG . . 3.610 3.420 2.573 3.618 0.008 18 0 "[ . 1 . 2]" 1
25 1 30 GLN QB 1 31 SER H . . 4.520 2.965 1.937 3.741 . 0 0 "[ . 1 . 2]" 1
26 1 30 GLN QB 1 34 GLU HG2 . . 3.280 3.239 3.109 3.292 0.012 5 0 "[ . 1 . 2]" 1
27 1 30 GLN QB 1 34 GLU HG3 . . 3.280 2.924 2.358 3.292 0.012 3 0 "[ . 1 . 2]" 1
28 1 30 GLN QB 1 35 TRP QB . . 4.630 3.177 2.366 4.290 . 0 0 "[ . 1 . 2]" 1
29 1 30 GLN QE 1 56 VAL MG2 . . 5.520 5.087 3.536 5.541 0.021 5 0 "[ . 1 . 2]" 1
30 1 30 GLN HE21 1 35 TRP HA . . 5.500 4.487 2.417 5.460 . 0 0 "[ . 1 . 2]" 1
31 1 30 GLN HE21 1 56 VAL MG1 . . 6.520 4.166 2.311 5.096 . 0 0 "[ . 1 . 2]" 1
32 1 30 GLN HE21 1 90 LEU MD1 . . 6.520 4.715 3.592 6.144 . 0 0 "[ . 1 . 2]" 1
33 1 30 GLN HE21 1 90 LEU MD2 . . 6.520 4.363 3.231 5.645 . 0 0 "[ . 1 . 2]" 1
34 1 30 GLN HE22 1 35 TRP HA . . 5.500 4.390 2.614 5.487 . 0 0 "[ . 1 . 2]" 1
35 1 30 GLN HE22 1 56 VAL MG1 . . 6.520 5.270 3.567 6.090 . 0 0 "[ . 1 . 2]" 1
36 1 30 GLN HE22 1 90 LEU MD1 . . 6.520 4.829 3.879 6.311 . 0 0 "[ . 1 . 2]" 1
37 1 30 GLN HE22 1 90 LEU MD2 . . 6.520 4.886 2.783 6.319 . 0 0 "[ . 1 . 2]" 1
38 1 30 GLN QG 1 31 SER H . . 6.170 3.650 2.196 4.334 . 0 0 "[ . 1 . 2]" 1
39 1 30 GLN QG 1 35 TRP QB . . 5.010 3.065 1.983 5.005 . 0 0 "[ . 1 . 2]" 1
40 1 30 GLN QG 1 90 LEU QD . . 7.260 4.824 3.849 6.486 . 0 0 "[ . 1 . 2]" 1
41 1 31 SER H 1 31 SER HB2 . . 3.390 2.632 2.088 3.357 . 0 0 "[ . 1 . 2]" 1
42 1 31 SER H 1 31 SER QB . . 2.890 2.446 2.068 2.882 . 0 0 "[ . 1 . 2]" 1
43 1 31 SER H 1 31 SER HB3 . . 3.390 3.107 2.645 3.429 0.039 7 0 "[ . 1 . 2]" 1
44 1 31 SER H 1 32 VAL H . . 4.760 4.490 4.355 4.635 . 0 0 "[ . 1 . 2]" 1
45 1 31 SER H 1 34 GLU H . . 4.510 3.960 3.408 4.526 0.016 17 0 "[ . 1 . 2]" 1
46 1 31 SER H 1 34 GLU HG2 . . 4.760 3.890 3.533 4.361 . 0 0 "[ . 1 . 2]" 1
47 1 31 SER H 1 34 GLU HG3 . . 4.760 4.225 3.701 4.738 . 0 0 "[ . 1 . 2]" 1
48 1 31 SER HA 1 32 VAL H . . 2.930 2.572 2.438 2.722 . 0 0 "[ . 1 . 2]" 1
49 1 31 SER QB 1 32 VAL H . . 3.270 2.576 2.150 3.067 . 0 0 "[ . 1 . 2]" 1
50 1 31 SER QB 1 33 GLY H . . 3.640 2.981 2.741 3.334 . 0 0 "[ . 1 . 2]" 1
51 1 31 SER QB 1 34 GLU H . . 3.530 3.018 2.703 3.279 . 0 0 "[ . 1 . 2]" 1
52 1 31 SER QB 1 34 GLU QB . . 5.180 3.235 3.133 3.404 . 0 0 "[ . 1 . 2]" 1
53 1 31 SER QB 1 34 GLU QG . . 4.760 4.743 4.651 4.803 0.043 3 0 "[ . 1 . 2]" 1
54 1 31 SER HB2 1 32 VAL H . . 3.830 3.599 2.971 3.798 . 0 0 "[ . 1 . 2]" 1
55 1 31 SER HB3 1 32 VAL H . . 3.830 2.674 2.167 3.257 . 0 0 "[ . 1 . 2]" 1
56 1 32 VAL H 1 32 VAL HA . . 2.830 2.785 2.775 2.797 . 0 0 "[ . 1 . 2]" 1
57 1 32 VAL H 1 32 VAL HB . . 2.740 2.550 2.529 2.564 . 0 0 "[ . 1 . 2]" 1
58 1 32 VAL H 1 32 VAL MG2 . . 4.350 2.150 2.004 2.247 . 0 0 "[ . 1 . 2]" 1
59 1 32 VAL H 1 33 GLY H . . 2.860 2.873 2.865 2.895 0.035 3 0 "[ . 1 . 2]" 1
60 1 32 VAL H 1 49 LEU QD . . 5.830 5.605 5.378 5.824 . 0 0 "[ . 1 . 2]" 1
61 1 32 VAL H 1 56 VAL MG2 . . 5.710 2.973 2.754 3.309 . 0 0 "[ . 1 . 2]" 1
62 1 32 VAL HA 1 32 VAL MG1 . . 3.420 2.384 2.311 2.409 . 0 0 "[ . 1 . 2]" 1
63 1 32 VAL HA 1 35 TRP H . . 3.950 3.929 3.845 3.963 0.013 16 0 "[ . 1 . 2]" 1
64 1 32 VAL HA 1 35 TRP QB . . 2.630 2.618 2.569 2.653 0.023 3 0 "[ . 1 . 2]" 1
65 1 32 VAL HA 1 35 TRP HE3 . . 3.520 2.389 2.262 2.513 . 0 0 "[ . 1 . 2]" 1
66 1 32 VAL HA 1 56 VAL MG1 . . 6.520 4.774 4.603 5.151 . 0 0 "[ . 1 . 2]" 1
67 1 32 VAL HA 1 56 VAL MG2 . . 3.540 3.219 3.114 3.402 . 0 0 "[ . 1 . 2]" 1
68 1 32 VAL HB 1 33 GLY H . . 2.990 2.326 2.263 2.383 . 0 0 "[ . 1 . 2]" 1
69 1 32 VAL HB 1 49 LEU MD1 . . 4.970 4.550 4.250 4.931 . 0 0 "[ . 1 . 2]" 1
70 1 32 VAL HB 1 49 LEU MD2 . . 4.970 4.884 4.736 4.973 0.003 15 0 "[ . 1 . 2]" 1
71 1 32 VAL HB 1 54 ASP HA . . 4.690 4.315 4.086 4.405 . 0 0 "[ . 1 . 2]" 1
72 1 32 VAL MG1 1 33 GLY H . . 6.520 3.153 3.092 3.200 . 0 0 "[ . 1 . 2]" 1
73 1 32 VAL MG1 1 35 TRP QB . . 6.290 3.921 3.767 3.996 . 0 0 "[ . 1 . 2]" 1
74 1 32 VAL MG1 1 35 TRP HE3 . . 4.500 3.149 3.053 3.270 . 0 0 "[ . 1 . 2]" 1
75 1 32 VAL MG1 1 35 TRP HZ3 . . 6.520 3.857 3.731 4.070 . 0 0 "[ . 1 . 2]" 1
76 1 32 VAL MG1 1 36 LEU HB2 . . 4.880 3.901 3.841 4.016 . 0 0 "[ . 1 . 2]" 1
77 1 32 VAL MG1 1 36 LEU MD1 . . 4.440 1.770 1.730 1.906 . 0 0 "[ . 1 . 2]" 1
78 1 32 VAL MG1 1 36 LEU HG . . 6.520 2.925 2.733 3.081 . 0 0 "[ . 1 . 2]" 1
79 1 32 VAL MG1 1 45 GLU HA . . 6.430 3.044 2.806 3.200 . 0 0 "[ . 1 . 2]" 1
80 1 32 VAL MG1 1 49 LEU MD1 . . 4.440 4.143 3.953 4.370 . 0 0 "[ . 1 . 2]" 1
81 1 32 VAL MG1 1 49 LEU MD2 . . 4.440 4.447 4.399 4.462 0.022 13 0 "[ . 1 . 2]" 1
82 1 32 VAL MG1 1 54 ASP HB2 . . 5.840 3.601 3.455 4.253 . 0 0 "[ . 1 . 2]" 1
83 1 32 VAL MG1 1 54 ASP HB3 . . 5.840 4.233 4.086 4.570 . 0 0 "[ . 1 . 2]" 1
84 1 32 VAL MG2 1 33 GLY H . . 4.630 3.755 3.705 3.788 . 0 0 "[ . 1 . 2]" 1
85 1 32 VAL MG2 1 34 GLU H . . 6.520 5.801 5.694 5.891 . 0 0 "[ . 1 . 2]" 1
86 1 32 VAL MG2 1 35 TRP H . . 6.520 5.445 5.379 5.504 . 0 0 "[ . 1 . 2]" 1
87 1 32 VAL MG2 1 35 TRP QB . . 6.290 4.303 4.260 4.349 . 0 0 "[ . 1 . 2]" 1
88 1 32 VAL MG2 1 35 TRP HE3 . . 6.460 3.566 3.404 3.749 . 0 0 "[ . 1 . 2]" 1
89 1 32 VAL MG2 1 36 LEU H . . 5.960 5.523 5.480 5.612 . 0 0 "[ . 1 . 2]" 1
90 1 32 VAL MG2 1 49 LEU MD1 . . 6.700 3.700 3.536 3.916 . 0 0 "[ . 1 . 2]" 1
91 1 32 VAL MG2 1 49 LEU QD . . 5.320 3.586 3.454 3.754 . 0 0 "[ . 1 . 2]" 1
92 1 32 VAL MG2 1 49 LEU MD2 . . 6.700 4.832 4.719 4.973 . 0 0 "[ . 1 . 2]" 1
93 1 32 VAL MG2 1 53 PHE HB2 . . 6.520 6.504 6.261 6.568 0.048 13 0 "[ . 1 . 2]" 1
94 1 32 VAL MG2 1 53 PHE QB . . 5.700 5.062 4.827 5.129 . 0 0 "[ . 1 . 2]" 1
95 1 32 VAL MG2 1 53 PHE HB3 . . 6.520 5.279 5.017 5.353 . 0 0 "[ . 1 . 2]" 1
96 1 32 VAL MG2 1 54 ASP HA . . 4.570 1.933 1.881 1.950 . 0 0 "[ . 1 . 2]" 1
97 1 32 VAL MG2 1 54 ASP HB2 . . 5.340 2.053 1.953 3.527 . 0 0 "[ . 1 . 2]" 1
98 1 32 VAL MG2 1 54 ASP QB . . 4.650 1.988 1.941 2.478 . 0 0 "[ . 1 . 2]" 1
99 1 32 VAL MG2 1 54 ASP HB3 . . 5.340 3.306 2.531 3.480 . 0 0 "[ . 1 . 2]" 1
100 1 32 VAL MG2 1 55 ASP H . . 5.560 4.301 3.766 4.352 . 0 0 "[ . 1 . 2]" 1
101 1 32 VAL MG2 1 55 ASP HA . . 4.910 4.439 3.930 4.522 . 0 0 "[ . 1 . 2]" 1
102 1 32 VAL MG2 1 56 VAL H . . 4.840 3.764 3.463 3.874 . 0 0 "[ . 1 . 2]" 1
103 1 32 VAL MG2 1 56 VAL HA . . 6.520 3.982 3.787 4.250 . 0 0 "[ . 1 . 2]" 1
104 1 32 VAL MG2 1 56 VAL MG2 . . 5.740 2.159 2.003 2.451 . 0 0 "[ . 1 . 2]" 1
105 1 32 VAL MG2 1 59 LEU MD1 . . 5.490 4.591 3.980 5.504 0.014 10 0 "[ . 1 . 2]" 1
106 1 32 VAL MG2 1 59 LEU QD . . 4.790 3.766 3.177 4.106 . 0 0 "[ . 1 . 2]" 1
107 1 32 VAL MG2 1 59 LEU MD2 . . 5.490 4.103 3.235 4.862 . 0 0 "[ . 1 . 2]" 1
108 1 33 GLY H 1 33 GLY HA2 . . 2.770 2.773 2.761 2.785 0.015 13 0 "[ . 1 . 2]" 1
109 1 33 GLY H 1 33 GLY HA3 . . 2.770 2.296 2.294 2.298 . 0 0 "[ . 1 . 2]" 1
110 1 33 GLY H 1 34 GLU H . . 3.080 3.036 2.969 3.080 0.000 11 0 "[ . 1 . 2]" 1
111 1 33 GLY H 1 36 LEU MD1 . . 5.560 4.081 4.041 4.165 . 0 0 "[ . 1 . 2]" 1
112 1 33 GLY H 1 49 LEU QD . . 5.770 5.323 5.078 5.557 . 0 0 "[ . 1 . 2]" 1
113 1 33 GLY QA 1 34 GLU H . . 2.910 2.498 2.463 2.541 . 0 0 "[ . 1 . 2]" 1
114 1 33 GLY QA 1 36 LEU H . . 4.230 3.738 3.692 3.756 . 0 0 "[ . 1 . 2]" 1
115 1 33 GLY QA 1 36 LEU HB2 . . 3.470 3.186 3.146 3.245 . 0 0 "[ . 1 . 2]" 1
116 1 33 GLY QA 1 37 GLU H . . 4.580 3.951 3.918 3.972 . 0 0 "[ . 1 . 2]" 1
117 1 33 GLY QA 1 45 GLU QG . . 3.950 2.874 2.309 3.423 . 0 0 "[ . 1 . 2]" 1
118 1 33 GLY HA2 1 36 LEU H . . 4.880 3.873 3.815 3.894 . 0 0 "[ . 1 . 2]" 1
119 1 33 GLY HA2 1 36 LEU MD1 . . 4.290 2.828 2.795 2.848 . 0 0 "[ . 1 . 2]" 1
120 1 33 GLY HA2 1 45 GLU QB . . 6.380 3.003 2.864 3.125 . 0 0 "[ . 1 . 2]" 1
121 1 33 GLY HA3 1 36 LEU H . . 4.880 4.928 4.909 4.952 0.072 20 0 "[ . 1 . 2]" 1
122 1 33 GLY HA3 1 36 LEU MD1 . . 4.290 4.329 4.318 4.341 0.051 17 0 "[ . 1 . 2]" 1
123 1 33 GLY HA3 1 45 GLU QB . . 6.380 4.354 4.144 4.511 . 0 0 "[ . 1 . 2]" 1
124 1 34 GLU H 1 34 GLU HA . . 2.800 2.764 2.757 2.773 . 0 0 "[ . 1 . 2]" 1
125 1 34 GLU H 1 34 GLU HB2 . . 3.420 2.626 2.572 2.699 . 0 0 "[ . 1 . 2]" 1
126 1 34 GLU H 1 34 GLU QB . . 2.900 2.238 2.219 2.248 . 0 0 "[ . 1 . 2]" 1
127 1 34 GLU H 1 34 GLU HB3 . . 3.420 2.428 2.360 2.481 . 0 0 "[ . 1 . 2]" 1
128 1 34 GLU H 1 34 GLU HG2 . . 5.160 4.599 4.592 4.610 . 0 0 "[ . 1 . 2]" 1
129 1 34 GLU H 1 34 GLU HG3 . . 5.160 4.389 4.335 4.430 . 0 0 "[ . 1 . 2]" 1
130 1 34 GLU H 1 35 TRP H . . 2.930 2.867 2.821 2.889 . 0 0 "[ . 1 . 2]" 1
131 1 34 GLU H 1 36 LEU MD1 . . 6.520 5.424 5.395 5.442 . 0 0 "[ . 1 . 2]" 1
132 1 34 GLU HA 1 34 GLU QG . . 3.400 3.093 3.027 3.172 . 0 0 "[ . 1 . 2]" 1
133 1 34 GLU HA 1 37 GLU H . . 3.360 3.376 3.366 3.393 0.033 3 0 "[ . 1 . 2]" 1
134 1 34 GLU HA 1 37 GLU HB2 . . 3.670 2.182 2.116 2.250 . 0 0 "[ . 1 . 2]" 1
135 1 34 GLU HA 1 37 GLU QB . . 3.110 2.147 2.089 2.207 . 0 0 "[ . 1 . 2]" 1
136 1 34 GLU HA 1 37 GLU HB3 . . 3.670 3.200 3.112 3.242 . 0 0 "[ . 1 . 2]" 1
137 1 34 GLU HA 1 37 GLU HG2 . . 5.500 4.801 4.709 4.896 . 0 0 "[ . 1 . 2]" 1
138 1 34 GLU HA 1 37 GLU HG3 . . 5.500 3.667 3.451 4.424 . 0 0 "[ . 1 . 2]" 1
139 1 34 GLU HA 1 38 SER H . . 4.320 4.360 4.334 4.381 0.061 19 0 "[ . 1 . 2]" 1
140 1 34 GLU QB 1 35 TRP H . . 3.500 2.464 2.428 2.554 . 0 0 "[ . 1 . 2]" 1
141 1 34 GLU QG 1 35 TRP H . . 3.320 3.193 3.118 3.283 . 0 0 "[ . 1 . 2]" 1
142 1 35 TRP H 1 35 TRP HA . . 2.930 2.759 2.753 2.772 . 0 0 "[ . 1 . 2]" 1
143 1 35 TRP H 1 35 TRP HB2 . . 3.050 2.604 2.593 2.614 . 0 0 "[ . 1 . 2]" 1
144 1 35 TRP H 1 35 TRP HB3 . . 3.050 2.463 2.449 2.473 . 0 0 "[ . 1 . 2]" 1
145 1 35 TRP H 1 35 TRP HE3 . . 5.500 4.825 4.810 4.837 . 0 0 "[ . 1 . 2]" 1
146 1 35 TRP H 1 36 LEU H . . 3.020 2.946 2.906 2.959 . 0 0 "[ . 1 . 2]" 1
147 1 35 TRP H 1 36 LEU MD1 . . 6.180 5.144 5.084 5.200 . 0 0 "[ . 1 . 2]" 1
148 1 35 TRP H 1 56 VAL MG1 . . 6.120 5.932 5.739 6.121 0.001 17 0 "[ . 1 . 2]" 1
149 1 35 TRP H 1 56 VAL MG2 . . 5.120 5.135 5.026 5.162 0.042 12 0 "[ . 1 . 2]" 1
150 1 35 TRP HA 1 35 TRP HD1 . . 2.860 2.422 2.411 2.430 . 0 0 "[ . 1 . 2]" 1
151 1 35 TRP HA 1 35 TRP HE3 . . 5.500 5.240 5.238 5.244 . 0 0 "[ . 1 . 2]" 1
152 1 35 TRP HA 1 38 SER H . . 3.640 3.659 3.645 3.711 0.071 20 0 "[ . 1 . 2]" 1
153 1 35 TRP QB 1 35 TRP HD1 . . 3.330 3.061 3.056 3.065 . 0 0 "[ . 1 . 2]" 1
154 1 35 TRP QB 1 35 TRP HE3 . . 3.260 2.436 2.432 2.439 . 0 0 "[ . 1 . 2]" 1
155 1 35 TRP QB 1 36 LEU H . . 3.570 2.335 2.320 2.355 . 0 0 "[ . 1 . 2]" 1
156 1 35 TRP QB 1 56 VAL MG1 . . 4.850 4.044 3.896 4.395 . 0 0 "[ . 1 . 2]" 1
157 1 35 TRP HB2 1 36 LEU H . . 4.260 3.795 3.783 3.809 . 0 0 "[ . 1 . 2]" 1
158 1 35 TRP HB2 1 56 VAL MG2 . . 4.440 4.125 3.913 4.297 . 0 0 "[ . 1 . 2]" 1
159 1 35 TRP HB3 1 36 LEU H . . 4.260 2.357 2.341 2.378 . 0 0 "[ . 1 . 2]" 1
160 1 35 TRP HB3 1 56 VAL MG2 . . 4.440 4.320 4.176 4.459 0.019 13 0 "[ . 1 . 2]" 1
161 1 35 TRP HD1 1 90 LEU QD . . 4.970 4.889 4.619 4.990 0.020 11 0 "[ . 1 . 2]" 1
162 1 35 TRP HE1 1 39 ILE MD . . 5.650 4.280 4.030 4.451 . 0 0 "[ . 1 . 2]" 1
163 1 35 TRP HE1 1 39 ILE MG . . 4.440 3.600 3.519 3.708 . 0 0 "[ . 1 . 2]" 1
164 1 35 TRP HE1 1 86 ALA HA . . 5.500 3.936 3.811 4.033 . 0 0 "[ . 1 . 2]" 1
165 1 35 TRP HE1 1 86 ALA MB . . 3.730 1.844 1.835 1.857 . 0 0 "[ . 1 . 2]" 1
166 1 35 TRP HE1 1 87 ALA MB . . 5.460 5.297 5.165 5.429 . 0 0 "[ . 1 . 2]" 1
167 1 35 TRP HE1 1 90 LEU QD . . 3.930 3.853 3.559 3.938 0.008 12 0 "[ . 1 . 2]" 1
168 1 35 TRP HE3 1 36 LEU H . . 4.910 3.989 3.966 4.008 . 0 0 "[ . 1 . 2]" 1
169 1 35 TRP HE3 1 36 LEU MD2 . . 3.980 3.730 3.664 3.819 . 0 0 "[ . 1 . 2]" 1
170 1 35 TRP HE3 1 36 LEU HG . . 3.110 3.177 3.164 3.190 0.080 7 0 "[ . 1 . 2]" 1
171 1 35 TRP HE3 1 48 LEU MD2 . . 5.460 4.085 3.806 4.523 . 0 0 "[ . 1 . 2]" 1
172 1 35 TRP HE3 1 56 VAL MG2 . . 6.520 3.729 3.437 4.147 . 0 0 "[ . 1 . 2]" 1
173 1 35 TRP HE3 1 59 LEU QD . . 6.420 3.291 2.727 4.003 . 0 0 "[ . 1 . 2]" 1
174 1 35 TRP HH2 1 36 LEU MD2 . . 4.470 4.319 4.269 4.358 . 0 0 "[ . 1 . 2]" 1
175 1 35 TRP HH2 1 39 ILE MD . . 6.150 5.474 5.381 5.538 . 0 0 "[ . 1 . 2]" 1
176 1 35 TRP HH2 1 59 LEU QD . . 6.420 2.184 1.848 2.745 . 0 0 "[ . 1 . 2]" 1
177 1 35 TRP HH2 1 83 LEU MD1 . . 4.040 3.209 2.027 4.051 0.011 4 0 "[ . 1 . 2]" 1
178 1 35 TRP HH2 1 83 LEU QD . . 3.540 2.850 2.015 3.481 . 0 0 "[ . 1 . 2]" 1
179 1 35 TRP HH2 1 83 LEU MD2 . . 4.040 3.657 3.274 4.032 . 0 0 "[ . 1 . 2]" 1
180 1 35 TRP HH2 1 86 ALA MB . . 4.130 4.159 4.135 4.170 0.040 18 0 "[ . 1 . 2]" 1
181 1 35 TRP HH2 1 87 ALA HA . . 4.200 3.738 3.596 3.881 . 0 0 "[ . 1 . 2]" 1
182 1 35 TRP HH2 1 87 ALA MB . . 4.350 2.586 2.338 2.805 . 0 0 "[ . 1 . 2]" 1
183 1 35 TRP HH2 1 90 LEU QD . . 6.420 4.148 4.025 4.292 . 0 0 "[ . 1 . 2]" 1
184 1 35 TRP HZ2 1 36 LEU MD2 . . 4.660 4.701 4.676 4.721 0.061 12 0 "[ . 1 . 2]" 1
185 1 35 TRP HZ2 1 39 ILE MD . . 5.780 4.596 4.455 4.714 . 0 0 "[ . 1 . 2]" 1
186 1 35 TRP HZ2 1 86 ALA HA . . 4.600 4.389 4.329 4.430 . 0 0 "[ . 1 . 2]" 1
187 1 35 TRP HZ2 1 86 ALA MB . . 3.910 1.980 1.973 1.993 . 0 0 "[ . 1 . 2]" 1
188 1 35 TRP HZ2 1 87 ALA H . . 4.480 3.334 3.158 3.466 . 0 0 "[ . 1 . 2]" 1
189 1 35 TRP HZ2 1 87 ALA HA . . 3.020 3.031 2.940 3.047 0.027 12 0 "[ . 1 . 2]" 1
190 1 35 TRP HZ2 1 87 ALA MB . . 4.690 2.968 2.837 3.117 . 0 0 "[ . 1 . 2]" 1
191 1 35 TRP HZ2 1 90 LEU QD . . 4.200 3.519 3.376 3.883 . 0 0 "[ . 1 . 2]" 1
192 1 35 TRP HZ3 1 36 LEU MD2 . . 4.160 3.807 3.742 3.879 . 0 0 "[ . 1 . 2]" 1
193 1 35 TRP HZ3 1 36 LEU HG . . 5.500 4.471 4.435 4.501 . 0 0 "[ . 1 . 2]" 1
194 1 35 TRP HZ3 1 48 LEU MD1 . . 5.680 3.080 2.773 3.663 . 0 0 "[ . 1 . 2]" 1
195 1 35 TRP HZ3 1 59 LEU QD . . 5.410 2.130 1.858 2.603 . 0 0 "[ . 1 . 2]" 1
196 1 35 TRP HZ3 1 83 LEU MD1 . . 5.370 3.821 2.997 4.392 . 0 0 "[ . 1 . 2]" 1
197 1 35 TRP HZ3 1 83 LEU QD . . 4.580 3.498 2.936 3.968 . 0 0 "[ . 1 . 2]" 1
198 1 35 TRP HZ3 1 83 LEU MD2 . . 5.370 4.267 3.772 4.635 . 0 0 "[ . 1 . 2]" 1
199 1 36 LEU H 1 36 LEU HB2 . . 3.080 2.499 2.479 2.517 . 0 0 "[ . 1 . 2]" 1
200 1 36 LEU H 1 36 LEU HB3 . . 3.670 3.587 3.585 3.589 . 0 0 "[ . 1 . 2]" 1
201 1 36 LEU H 1 36 LEU MD1 . . 4.570 3.228 3.172 3.266 . 0 0 "[ . 1 . 2]" 1
202 1 36 LEU H 1 36 LEU MD2 . . 4.100 3.643 3.608 3.679 . 0 0 "[ . 1 . 2]" 1
203 1 36 LEU H 1 36 LEU HG . . 4.010 2.238 2.203 2.277 . 0 0 "[ . 1 . 2]" 1
204 1 36 LEU H 1 37 GLU H . . 3.210 2.587 2.575 2.605 . 0 0 "[ . 1 . 2]" 1
205 1 36 LEU HA 1 36 LEU MD1 . . 4.070 3.932 3.924 3.938 . 0 0 "[ . 1 . 2]" 1
206 1 36 LEU HA 1 36 LEU MD2 . . 3.540 2.491 2.443 2.534 . 0 0 "[ . 1 . 2]" 1
207 1 36 LEU HA 1 36 LEU HG . . 3.640 2.900 2.872 2.921 . 0 0 "[ . 1 . 2]" 1
208 1 36 LEU HA 1 39 ILE H . . 3.550 3.406 3.371 3.429 . 0 0 "[ . 1 . 2]" 1
209 1 36 LEU HA 1 39 ILE HB . . 4.910 4.956 4.941 4.980 0.070 20 0 "[ . 1 . 2]" 1
210 1 36 LEU HA 1 39 ILE MD . . 6.520 2.497 2.363 2.605 . 0 0 "[ . 1 . 2]" 1
211 1 36 LEU HA 1 39 ILE QG . . 5.340 2.007 1.985 2.053 . 0 0 "[ . 1 . 2]" 1
212 1 36 LEU HA 1 39 ILE MG . . 6.520 3.460 3.379 3.647 . 0 0 "[ . 1 . 2]" 1
213 1 36 LEU HA 1 41 LEU H . . 5.000 3.603 3.580 3.678 . 0 0 "[ . 1 . 2]" 1
214 1 36 LEU HA 1 83 LEU QD . . 4.620 4.076 3.739 4.448 . 0 0 "[ . 1 . 2]" 1
215 1 36 LEU HB2 1 36 LEU MD1 . . 3.420 2.177 2.158 2.195 . 0 0 "[ . 1 . 2]" 1
216 1 36 LEU HB2 1 36 LEU HG . . 2.620 2.604 2.592 2.622 0.002 10 0 "[ . 1 . 2]" 1
217 1 36 LEU HB2 1 37 GLU H . . 3.270 2.869 2.812 2.889 . 0 0 "[ . 1 . 2]" 1
218 1 36 LEU HB2 1 38 SER H . . 5.000 5.029 4.977 5.054 0.054 19 0 "[ . 1 . 2]" 1
219 1 36 LEU HB2 1 39 ILE MD . . 6.520 4.602 4.521 4.681 . 0 0 "[ . 1 . 2]" 1
220 1 36 LEU HB2 1 42 GLN HA . . 3.580 1.977 1.960 1.996 . 0 0 "[ . 1 . 2]" 1
221 1 36 LEU HB3 1 36 LEU MD1 . . 3.420 2.590 2.568 2.614 . 0 0 "[ . 1 . 2]" 1
222 1 36 LEU HB3 1 37 GLU H . . 3.890 3.881 3.821 3.902 0.012 9 0 "[ . 1 . 2]" 1
223 1 36 LEU HB3 1 37 GLU QG . . 5.340 5.352 5.332 5.429 0.089 8 0 "[ . 1 . 2]" 1
224 1 36 LEU HB3 1 41 LEU H . . 3.920 3.212 3.159 3.281 . 0 0 "[ . 1 . 2]" 1
225 1 36 LEU HB3 1 42 GLN H . . 3.050 3.063 2.949 3.099 0.049 16 0 "[ . 1 . 2]" 1
226 1 36 LEU HB3 1 42 GLN HA . . 3.240 2.375 2.285 2.444 . 0 0 "[ . 1 . 2]" 1
227 1 36 LEU HB3 1 44 TYR H . . 5.040 4.627 4.521 4.692 . 0 0 "[ . 1 . 2]" 1
228 1 36 LEU MD1 1 37 GLU H . . 6.490 4.441 4.403 4.466 . 0 0 "[ . 1 . 2]" 1
229 1 36 LEU MD1 1 39 ILE MD . . 7.070 4.435 4.396 4.470 . 0 0 "[ . 1 . 2]" 1
230 1 36 LEU MD1 1 42 GLN HA . . 4.320 2.676 2.617 2.732 . 0 0 "[ . 1 . 2]" 1
231 1 36 LEU MD1 1 44 TYR HB2 . . 5.190 4.632 4.264 4.857 . 0 0 "[ . 1 . 2]" 1
232 1 36 LEU MD1 1 44 TYR QB . . 4.430 3.895 3.563 4.057 . 0 0 "[ . 1 . 2]" 1
233 1 36 LEU MD1 1 44 TYR HB3 . . 5.190 4.190 3.819 4.371 . 0 0 "[ . 1 . 2]" 1
234 1 36 LEU MD1 1 45 GLU H . . 5.470 3.098 2.964 3.194 . 0 0 "[ . 1 . 2]" 1
235 1 36 LEU MD1 1 45 GLU HA . . 4.070 1.993 1.900 2.179 . 0 0 "[ . 1 . 2]" 1
236 1 36 LEU MD1 1 45 GLU QB . . 4.830 2.066 1.897 2.441 . 0 0 "[ . 1 . 2]" 1
237 1 36 LEU MD1 1 45 GLU QG . . 4.050 2.537 2.160 2.942 . 0 0 "[ . 1 . 2]" 1
238 1 36 LEU MD1 1 48 LEU HB2 . . 4.940 3.383 3.220 3.469 . 0 0 "[ . 1 . 2]" 1
239 1 36 LEU MD1 1 48 LEU HB3 . . 4.940 2.986 2.905 3.124 . 0 0 "[ . 1 . 2]" 1
240 1 36 LEU MD1 1 56 VAL MG2 . . 5.930 5.625 5.475 5.912 . 0 0 "[ . 1 . 2]" 1
241 1 36 LEU MD1 1 83 LEU QD . . 4.410 3.650 3.503 3.805 . 0 0 "[ . 1 . 2]" 1
242 1 36 LEU MD2 1 37 GLU H . . 6.520 4.893 4.871 4.912 . 0 0 "[ . 1 . 2]" 1
243 1 36 LEU MD2 1 39 ILE MD . . 5.490 2.170 2.085 2.256 . 0 0 "[ . 1 . 2]" 1
244 1 36 LEU MD2 1 41 LEU QB . . 4.910 1.999 1.960 2.248 . 0 0 "[ . 1 . 2]" 1
245 1 36 LEU MD2 1 44 TYR QB . . 3.940 3.809 3.581 3.952 0.012 18 0 "[ . 1 . 2]" 1
246 1 36 LEU MD2 1 48 LEU H . . 6.240 5.329 5.163 5.647 . 0 0 "[ . 1 . 2]" 1
247 1 36 LEU MD2 1 48 LEU QB . . 5.190 3.486 3.352 3.713 . 0 0 "[ . 1 . 2]" 1
248 1 36 LEU MD2 1 48 LEU MD1 . . 5.270 2.297 2.024 2.493 . 0 0 "[ . 1 . 2]" 1
249 1 36 LEU HG 1 42 GLN HA . . 4.760 4.334 4.296 4.356 . 0 0 "[ . 1 . 2]" 1
250 1 36 LEU HG 1 48 LEU MD1 . . 3.850 3.882 3.858 3.904 0.054 14 0 "[ . 1 . 2]" 1
251 1 37 GLU H 1 37 GLU HA . . 2.930 2.829 2.820 2.833 . 0 0 "[ . 1 . 2]" 1
252 1 37 GLU H 1 37 GLU HB2 . . 3.390 2.071 2.066 2.074 . 0 0 "[ . 1 . 2]" 1
253 1 37 GLU H 1 37 GLU QB . . 2.960 2.050 2.044 2.052 . 0 0 "[ . 1 . 2]" 1
254 1 37 GLU H 1 37 GLU HB3 . . 3.390 3.283 3.211 3.325 . 0 0 "[ . 1 . 2]" 1
255 1 37 GLU H 1 37 GLU HG2 . . 5.500 3.868 3.745 4.461 . 0 0 "[ . 1 . 2]" 1
256 1 37 GLU H 1 37 GLU QG . . 4.640 3.393 3.315 3.510 . 0 0 "[ . 1 . 2]" 1
257 1 37 GLU H 1 37 GLU HG3 . . 5.500 3.777 3.602 3.847 . 0 0 "[ . 1 . 2]" 1
258 1 37 GLU H 1 38 SER H . . 3.050 2.569 2.552 2.601 . 0 0 "[ . 1 . 2]" 1
259 1 37 GLU HA 1 37 GLU HG2 . . 3.760 2.085 2.021 2.694 . 0 0 "[ . 1 . 2]" 1
260 1 37 GLU HA 1 37 GLU QG . . 3.290 2.027 2.003 2.220 . 0 0 "[ . 1 . 2]" 1
261 1 37 GLU HA 1 37 GLU HG3 . . 3.760 3.212 2.309 3.336 . 0 0 "[ . 1 . 2]" 1
262 1 37 GLU HA 1 40 GLY H . . 2.990 3.080 3.064 3.106 0.116 19 0 "[ . 1 . 2]" 1
263 1 37 GLU HA 1 42 GLN HB2 . . 3.360 1.961 1.946 1.985 . 0 0 "[ . 1 . 2]" 1
264 1 37 GLU HA 1 42 GLN QB . . 2.810 1.951 1.936 1.974 . 0 0 "[ . 1 . 2]" 1
265 1 37 GLU HA 1 42 GLN HB3 . . 3.360 3.467 3.447 3.488 0.128 7 0 "[ . 1 . 2]" 1
266 1 37 GLU QB 1 38 SER H . . 3.100 2.931 2.888 2.949 . 0 0 "[ . 1 . 2]" 1
267 1 37 GLU QB 1 42 GLN QG . . 3.010 2.642 2.494 2.825 . 0 0 "[ . 1 . 2]" 1
268 1 37 GLU HB2 1 38 SER H . . 3.860 3.334 3.267 3.400 . 0 0 "[ . 1 . 2]" 1
269 1 37 GLU HB3 1 38 SER H . . 3.860 3.251 3.153 3.274 . 0 0 "[ . 1 . 2]" 1
270 1 37 GLU QG 1 38 SER H . . 5.340 4.564 4.501 4.585 . 0 0 "[ . 1 . 2]" 1
271 1 37 GLU QG 1 42 GLN QB . . 3.460 1.927 1.903 2.021 . 0 0 "[ . 1 . 2]" 1
272 1 38 SER H 1 38 SER HB2 . . 3.480 2.335 2.091 3.477 . 0 0 "[ . 1 . 2]" 1
273 1 38 SER H 1 38 SER QB . . 3.000 2.137 2.066 2.249 . 0 0 "[ . 1 . 2]" 1
274 1 38 SER H 1 38 SER HB3 . . 3.480 2.904 2.155 3.293 . 0 0 "[ . 1 . 2]" 1
275 1 38 SER H 1 39 ILE H . . 2.830 2.501 2.487 2.528 . 0 0 "[ . 1 . 2]" 1
276 1 38 SER H 1 39 ILE HG12 . . 5.500 3.906 3.766 4.016 . 0 0 "[ . 1 . 2]" 1
277 1 38 SER H 1 39 ILE HG13 . . 5.500 5.142 5.061 5.325 . 0 0 "[ . 1 . 2]" 1
278 1 38 SER H 1 39 ILE MG . . 6.520 4.145 4.013 4.287 . 0 0 "[ . 1 . 2]" 1
279 1 38 SER H 1 40 GLY H . . 4.010 3.785 3.760 3.805 . 0 0 "[ . 1 . 2]" 1
280 1 38 SER HA 1 38 SER HB2 . . 3.020 2.668 2.263 2.873 . 0 0 "[ . 1 . 2]" 1
281 1 38 SER HA 1 38 SER HB3 . . 3.020 2.931 2.737 3.014 . 0 0 "[ . 1 . 2]" 1
282 1 38 SER QB 1 39 ILE H . . 4.220 3.037 2.974 3.491 . 0 0 "[ . 1 . 2]" 1
283 1 38 SER QB 1 39 ILE MG . . 5.450 2.975 2.770 3.742 . 0 0 "[ . 1 . 2]" 1
284 1 38 SER HB2 1 39 ILE H . . 4.820 3.778 3.434 4.339 . 0 0 "[ . 1 . 2]" 1
285 1 38 SER HB3 1 39 ILE H . . 4.820 3.222 3.073 3.690 . 0 0 "[ . 1 . 2]" 1
286 1 39 ILE H 1 39 ILE HB . . 4.040 3.718 3.697 3.736 . 0 0 "[ . 1 . 2]" 1
287 1 39 ILE H 1 39 ILE MD . . 4.010 3.766 3.665 3.788 . 0 0 "[ . 1 . 2]" 1
288 1 39 ILE H 1 39 ILE QG . . 4.400 2.066 1.944 2.100 . 0 0 "[ . 1 . 2]" 1
289 1 39 ILE H 1 39 ILE MG . . 4.100 2.699 2.578 2.788 . 0 0 "[ . 1 . 2]" 1
290 1 39 ILE H 1 40 GLY H . . 2.860 2.074 2.036 2.149 . 0 0 "[ . 1 . 2]" 1
291 1 39 ILE H 1 41 LEU H . . 3.950 3.445 3.339 3.547 . 0 0 "[ . 1 . 2]" 1
292 1 39 ILE HA 1 39 ILE HB . . 2.620 2.437 2.412 2.471 . 0 0 "[ . 1 . 2]" 1
293 1 39 ILE HA 1 39 ILE MG . . 3.600 2.296 2.229 2.354 . 0 0 "[ . 1 . 2]" 1
294 1 39 ILE HA 1 40 GLY H . . 3.520 3.412 3.340 3.444 . 0 0 "[ . 1 . 2]" 1
295 1 39 ILE HB 1 40 GLY H . . 4.480 4.107 3.992 4.259 . 0 0 "[ . 1 . 2]" 1
296 1 39 ILE HB 1 82 LYS QE . . 5.360 3.349 2.050 4.972 . 0 0 "[ . 1 . 2]" 1
297 1 39 ILE HB 1 82 LYS QG . . 4.130 2.469 1.992 3.265 . 0 0 "[ . 1 . 2]" 1
298 1 39 ILE HB 1 83 LEU QD . . 5.770 5.212 4.650 5.784 0.014 13 0 "[ . 1 . 2]" 1
299 1 39 ILE MD 1 41 LEU H . . 6.520 3.323 3.262 3.556 . 0 0 "[ . 1 . 2]" 1
300 1 39 ILE MD 1 41 LEU QB . . 6.030 1.942 1.869 2.010 . 0 0 "[ . 1 . 2]" 1
301 1 39 ILE MD 1 41 LEU QD . . 5.610 2.355 1.817 2.964 . 0 0 "[ . 1 . 2]" 1
302 1 39 ILE MD 1 41 LEU HG . . 6.330 3.907 2.332 4.238 . 0 0 "[ . 1 . 2]" 1
303 1 39 ILE MD 1 82 LYS QE . . 7.340 4.324 3.484 5.082 . 0 0 "[ . 1 . 2]" 1
304 1 39 ILE MD 1 83 LEU H . . 5.870 4.175 4.023 4.386 . 0 0 "[ . 1 . 2]" 1
305 1 39 ILE MD 1 83 LEU HA . . 4.200 3.370 3.172 3.591 . 0 0 "[ . 1 . 2]" 1
306 1 39 ILE MD 1 83 LEU QB . . 6.120 3.984 3.761 4.132 . 0 0 "[ . 1 . 2]" 1
307 1 39 ILE MD 1 83 LEU MD1 . . 6.700 3.153 2.306 4.018 . 0 0 "[ . 1 . 2]" 1
308 1 39 ILE MD 1 83 LEU QD . . 5.520 2.430 2.097 2.808 . 0 0 "[ . 1 . 2]" 1
309 1 39 ILE MD 1 83 LEU MD2 . . 6.700 3.743 2.106 4.983 . 0 0 "[ . 1 . 2]" 1
310 1 39 ILE MD 1 83 LEU HG . . 4.440 4.386 4.212 4.484 0.044 7 0 "[ . 1 . 2]" 1
311 1 39 ILE MD 1 86 ALA H . . 5.680 5.032 4.798 5.248 . 0 0 "[ . 1 . 2]" 1
312 1 39 ILE MD 1 86 ALA MB . . 5.370 3.281 3.087 3.474 . 0 0 "[ . 1 . 2]" 1
313 1 39 ILE QG 1 40 GLY H . . 4.360 2.551 2.457 2.800 . 0 0 "[ . 1 . 2]" 1
314 1 39 ILE QG 1 41 LEU H . . 2.920 1.943 1.898 2.251 . 0 0 "[ . 1 . 2]" 1
315 1 39 ILE QG 1 43 GLN QE . . 5.180 5.248 5.204 5.332 0.152 19 0 "[ . 1 . 2]" 1
316 1 39 ILE QG 1 82 LYS QD . . 4.690 3.954 3.376 4.644 . 0 0 "[ . 1 . 2]" 1
317 1 39 ILE HG12 1 41 LEU H . . 3.550 2.917 2.748 3.148 . 0 0 "[ . 1 . 2]" 1
318 1 39 ILE HG13 1 41 LEU H . . 3.550 1.973 1.934 2.306 . 0 0 "[ . 1 . 2]" 1
319 1 39 ILE MG 1 40 GLY H . . 5.220 4.051 4.028 4.088 . 0 0 "[ . 1 . 2]" 1
320 1 39 ILE MG 1 82 LYS HB2 . . 6.520 5.214 4.815 5.417 . 0 0 "[ . 1 . 2]" 1
321 1 39 ILE MG 1 82 LYS HB3 . . 5.220 4.374 4.106 4.541 . 0 0 "[ . 1 . 2]" 1
322 1 39 ILE MG 1 82 LYS QG . . 6.060 2.606 2.219 3.647 . 0 0 "[ . 1 . 2]" 1
323 1 39 ILE MG 1 86 ALA MB . . 5.650 2.772 2.601 2.924 . 0 0 "[ . 1 . 2]" 1
324 1 40 GLY H 1 40 GLY HA2 . . 2.930 2.360 2.324 2.383 . 0 0 "[ . 1 . 2]" 1
325 1 40 GLY H 1 40 GLY HA3 . . 2.930 2.923 2.890 2.936 0.006 17 0 "[ . 1 . 2]" 1
326 1 40 GLY H 1 41 LEU H . . 3.050 2.251 2.168 2.413 . 0 0 "[ . 1 . 2]" 1
327 1 40 GLY QA 1 42 GLN H . . 3.940 3.310 3.268 3.388 . 0 0 "[ . 1 . 2]" 1
328 1 41 LEU H 1 41 LEU HB2 . . 3.700 2.610 2.383 2.706 . 0 0 "[ . 1 . 2]" 1
329 1 41 LEU H 1 41 LEU QB . . 2.820 2.448 2.344 2.572 . 0 0 "[ . 1 . 2]" 1
330 1 41 LEU H 1 41 LEU HB3 . . 3.700 3.015 2.850 3.745 0.045 17 0 "[ . 1 . 2]" 1
331 1 41 LEU H 1 41 LEU MD1 . . 4.720 4.023 3.811 4.351 . 0 0 "[ . 1 . 2]" 1
332 1 41 LEU H 1 41 LEU QD . . 4.130 3.621 2.899 3.853 . 0 0 "[ . 1 . 2]" 1
333 1 41 LEU H 1 41 LEU MD2 . . 4.720 4.272 2.944 4.509 . 0 0 "[ . 1 . 2]" 1
334 1 41 LEU H 1 42 GLN H . . 2.990 2.248 2.065 2.313 . 0 0 "[ . 1 . 2]" 1
335 1 41 LEU HA 1 41 LEU QD . . 3.410 2.255 1.959 2.879 . 0 0 "[ . 1 . 2]" 1
336 1 41 LEU HA 1 42 GLN H . . 3.450 3.126 3.104 3.190 . 0 0 "[ . 1 . 2]" 1
337 1 41 LEU QB 1 41 LEU HG . . 2.600 2.398 2.166 2.531 . 0 0 "[ . 1 . 2]" 1
338 1 41 LEU QB 1 42 GLN H . . 4.180 3.562 3.476 3.600 . 0 0 "[ . 1 . 2]" 1
339 1 41 LEU QB 1 44 TYR QB . . 3.780 3.660 2.894 3.821 0.041 8 0 "[ . 1 . 2]" 1
340 1 41 LEU QB 1 44 TYR QD . . 4.960 4.831 4.023 4.991 0.031 13 0 "[ . 1 . 2]" 1
341 1 41 LEU QB 1 83 LEU QD . . 5.910 3.108 2.780 3.505 . 0 0 "[ . 1 . 2]" 1
342 1 41 LEU HB2 1 44 TYR QE . . 7.630 7.659 7.640 7.698 0.068 12 0 "[ . 1 . 2]" 1
343 1 41 LEU HB3 1 44 TYR QE . . 7.630 7.390 6.124 7.651 0.021 19 0 "[ . 1 . 2]" 1
344 1 41 LEU QD 1 42 GLN H . . 4.930 4.419 4.023 4.574 . 0 0 "[ . 1 . 2]" 1
345 1 41 LEU QD 1 43 GLN QE . . 3.530 2.324 1.979 3.115 . 0 0 "[ . 1 . 2]" 1
346 1 41 LEU QD 1 43 GLN QG . . 5.000 3.560 2.872 4.504 . 0 0 "[ . 1 . 2]" 1
347 1 41 LEU QD 1 44 TYR QE . . 8.300 4.020 3.538 4.886 . 0 0 "[ . 1 . 2]" 1
348 1 41 LEU QD 1 74 ILE MG . . 7.210 2.708 2.263 3.312 . 0 0 "[ . 1 . 2]" 1
349 1 41 LEU QD 1 79 HIS HA . . 4.210 2.432 2.198 2.958 . 0 0 "[ . 1 . 2]" 1
350 1 41 LEU QD 1 79 HIS HB3 . . 4.050 2.150 1.945 2.603 . 0 0 "[ . 1 . 2]" 1
351 1 41 LEU QD 1 79 HIS HD2 . . 4.320 2.880 2.533 3.312 . 0 0 "[ . 1 . 2]" 1
352 1 41 LEU QD 1 79 HIS HE1 . . 6.420 3.308 2.801 3.791 . 0 0 "[ . 1 . 2]" 1
353 1 41 LEU QD 1 82 LYS HB2 . . 4.460 4.176 3.242 4.469 0.009 1 0 "[ . 1 . 2]" 1
354 1 41 LEU QD 1 82 LYS QD . . 6.080 3.650 3.060 4.265 . 0 0 "[ . 1 . 2]" 1
355 1 41 LEU QD 1 82 LYS QE . . 7.260 4.998 4.070 5.555 . 0 0 "[ . 1 . 2]" 1
356 1 41 LEU QD 1 83 LEU QD . . 5.110 2.032 1.700 3.550 . 0 0 "[ . 1 . 2]" 1
357 1 41 LEU MD1 1 42 GLN H . . 6.080 4.889 4.621 5.436 . 0 0 "[ . 1 . 2]" 1
358 1 41 LEU MD1 1 44 TYR H . . 6.520 4.255 3.099 5.457 . 0 0 "[ . 1 . 2]" 1
359 1 41 LEU MD1 1 79 HIS HA . . 5.220 2.635 2.277 3.421 . 0 0 "[ . 1 . 2]" 1
360 1 41 LEU MD1 1 82 LYS HB2 . . 5.840 4.764 3.330 5.845 0.005 4 0 "[ . 1 . 2]" 1
361 1 41 LEU MD1 1 82 LYS QD . . 7.310 4.117 3.303 5.348 . 0 0 "[ . 1 . 2]" 1
362 1 41 LEU MD1 1 83 LEU MD1 . . 7.170 4.530 2.070 6.197 . 0 0 "[ . 1 . 2]" 1
363 1 41 LEU MD1 1 83 LEU MD2 . . 7.170 4.691 3.139 6.024 . 0 0 "[ . 1 . 2]" 1
364 1 41 LEU MD2 1 42 GLN H . . 6.080 5.148 4.369 5.475 . 0 0 "[ . 1 . 2]" 1
365 1 41 LEU MD2 1 44 TYR H . . 6.520 4.459 3.485 5.236 . 0 0 "[ . 1 . 2]" 1
366 1 41 LEU MD2 1 79 HIS HA . . 5.220 3.183 2.588 4.147 . 0 0 "[ . 1 . 2]" 1
367 1 41 LEU MD2 1 82 LYS HB2 . . 5.840 4.906 3.845 5.842 0.002 15 0 "[ . 1 . 2]" 1
368 1 41 LEU MD2 1 82 LYS QD . . 7.310 4.505 3.112 5.523 . 0 0 "[ . 1 . 2]" 1
369 1 41 LEU MD2 1 83 LEU MD1 . . 7.170 3.057 1.713 6.172 . 0 0 "[ . 1 . 2]" 1
370 1 41 LEU MD2 1 83 LEU MD2 . . 7.170 3.273 1.729 6.676 . 0 0 "[ . 1 . 2]" 1
371 1 42 GLN H 1 42 GLN HB2 . . 3.050 2.231 2.221 2.239 . 0 0 "[ . 1 . 2]" 1
372 1 42 GLN H 1 42 GLN HB3 . . 3.050 2.861 2.846 2.884 . 0 0 "[ . 1 . 2]" 1
373 1 42 GLN H 1 42 GLN HG2 . . 4.480 4.294 4.268 4.327 . 0 0 "[ . 1 . 2]" 1
374 1 42 GLN H 1 42 GLN QG . . 3.780 3.831 3.818 3.839 0.059 18 0 "[ . 1 . 2]" 1
375 1 42 GLN H 1 42 GLN HG3 . . 4.480 4.306 4.279 4.338 . 0 0 "[ . 1 . 2]" 1
376 1 42 GLN HA 1 42 GLN HB2 . . 3.020 2.609 2.607 2.611 . 0 0 "[ . 1 . 2]" 1
377 1 42 GLN HA 1 42 GLN QB . . 2.630 2.457 2.456 2.458 . 0 0 "[ . 1 . 2]" 1
378 1 42 GLN HA 1 42 GLN HB3 . . 3.020 2.998 2.997 2.999 . 0 0 "[ . 1 . 2]" 1
379 1 42 GLN HA 1 42 GLN QG . . 3.620 2.180 2.161 2.204 . 0 0 "[ . 1 . 2]" 1
380 1 42 GLN HA 1 44 TYR H . . 5.070 4.004 3.948 4.054 . 0 0 "[ . 1 . 2]" 1
381 1 42 GLN HA 1 45 GLU H . . 3.550 3.442 3.212 3.512 . 0 0 "[ . 1 . 2]" 1
382 1 43 GLN H 1 44 TYR H . . 4.970 2.626 2.604 2.704 . 0 0 "[ . 1 . 2]" 1
383 1 43 GLN HA 1 43 GLN HB2 . . 2.650 2.450 2.327 2.556 . 0 0 "[ . 1 . 2]" 1
384 1 43 GLN HA 1 43 GLN HB3 . . 2.650 2.448 2.351 2.590 . 0 0 "[ . 1 . 2]" 1
385 1 43 GLN HA 1 43 GLN QG . . 3.640 3.359 3.346 3.406 . 0 0 "[ . 1 . 2]" 1
386 1 43 GLN QB 1 44 TYR H . . 3.410 3.479 3.440 3.493 0.083 17 0 "[ . 1 . 2]" 1
387 1 43 GLN HB2 1 44 TYR H . . 3.980 3.844 3.683 4.045 0.065 18 0 "[ . 1 . 2]" 1
388 1 43 GLN HB3 1 44 TYR H . . 3.980 3.988 3.781 4.127 0.147 20 0 "[ . 1 . 2]" 1
389 1 43 GLN QE 1 43 GLN QG . . 2.650 2.141 2.122 2.165 . 0 0 "[ . 1 . 2]" 1
390 1 43 GLN QE 1 79 HIS HE1 . . 3.590 3.595 3.406 3.618 0.028 2 0 "[ . 1 . 2]" 1
391 1 43 GLN HE21 1 79 HIS HE1 . . 4.320 3.971 3.851 4.333 0.013 19 0 "[ . 1 . 2]" 1
392 1 43 GLN HE22 1 43 GLN HG2 . . 3.760 3.513 3.473 3.765 0.005 20 0 "[ . 1 . 2]" 1
393 1 43 GLN HE22 1 43 GLN HG3 . . 3.760 3.749 3.492 3.801 0.041 9 0 "[ . 1 . 2]" 1
394 1 43 GLN HE22 1 79 HIS HE1 . . 4.320 4.162 3.563 4.336 0.016 12 0 "[ . 1 . 2]" 1
395 1 43 GLN QG 1 44 TYR H . . 4.510 2.056 1.911 2.649 . 0 0 "[ . 1 . 2]" 1
396 1 43 GLN QG 1 44 TYR QD . . 6.910 3.522 2.791 4.715 . 0 0 "[ . 1 . 2]" 1
397 1 43 GLN QG 1 44 TYR QE . . 7.120 4.819 4.319 6.096 . 0 0 "[ . 1 . 2]" 1
398 1 43 GLN QG 1 45 GLU H . . 4.530 4.201 4.088 4.595 0.065 19 0 "[ . 1 . 2]" 1
399 1 44 TYR H 1 44 TYR HA . . 2.930 2.900 2.891 2.906 . 0 0 "[ . 1 . 2]" 1
400 1 44 TYR H 1 44 TYR HB2 . . 3.170 2.156 2.135 2.178 . 0 0 "[ . 1 . 2]" 1
401 1 44 TYR H 1 44 TYR HB3 . . 3.170 3.271 3.212 3.289 0.119 12 0 "[ . 1 . 2]" 1
402 1 44 TYR H 1 45 GLU H . . 3.050 2.519 2.397 2.559 . 0 0 "[ . 1 . 2]" 1
403 1 44 TYR H 1 45 GLU QB . . 5.260 4.242 4.160 4.294 . 0 0 "[ . 1 . 2]" 1
404 1 44 TYR HA 1 44 TYR QE . . 6.330 4.204 4.086 4.421 . 0 0 "[ . 1 . 2]" 1
405 1 44 TYR HA 1 45 GLU H . . 3.420 3.210 3.161 3.291 . 0 0 "[ . 1 . 2]" 1
406 1 44 TYR HA 1 46 SER H . . 4.110 3.875 3.685 4.118 0.008 17 0 "[ . 1 . 2]" 1
407 1 44 TYR HA 1 47 LYS H . . 3.670 3.412 3.296 3.506 . 0 0 "[ . 1 . 2]" 1
408 1 44 TYR QB 1 47 LYS QB . . 5.580 3.412 3.183 3.641 . 0 0 "[ . 1 . 2]" 1
409 1 44 TYR QB 1 48 LEU MD1 . . 5.110 4.206 3.241 4.639 . 0 0 "[ . 1 . 2]" 1
410 1 44 TYR QB 1 74 ILE MD . . 4.790 3.011 2.530 3.523 . 0 0 "[ . 1 . 2]" 1
411 1 44 TYR QB 1 83 LEU QD . . 5.430 4.057 3.743 4.497 . 0 0 "[ . 1 . 2]" 1
412 1 44 TYR HB2 1 47 LYS QB . . 6.380 4.791 4.617 5.073 . 0 0 "[ . 1 . 2]" 1
413 1 44 TYR HB3 1 47 LYS QB . . 6.380 3.494 3.243 3.774 . 0 0 "[ . 1 . 2]" 1
414 1 44 TYR QD 1 48 LEU MD1 . . 8.650 5.505 4.282 5.977 . 0 0 "[ . 1 . 2]" 1
415 1 44 TYR QD 1 74 ILE HA . . 7.630 4.014 3.731 4.555 . 0 0 "[ . 1 . 2]" 1
416 1 44 TYR QD 1 74 ILE MD . . 7.070 3.929 3.427 4.605 . 0 0 "[ . 1 . 2]" 1
417 1 44 TYR QD 1 74 ILE HG12 . . 7.630 3.147 2.711 3.914 . 0 0 "[ . 1 . 2]" 1
418 1 44 TYR QD 1 74 ILE HG13 . . 7.630 3.800 2.905 4.445 . 0 0 "[ . 1 . 2]" 1
419 1 44 TYR QD 1 74 ILE MG . . 6.940 4.018 3.577 4.644 . 0 0 "[ . 1 . 2]" 1
420 1 44 TYR QD 1 79 HIS HB2 . . 7.380 4.945 4.521 5.789 . 0 0 "[ . 1 . 2]" 1
421 1 44 TYR QD 1 79 HIS HB3 . . 7.630 3.976 3.549 4.741 . 0 0 "[ . 1 . 2]" 1
422 1 44 TYR QD 1 83 LEU MD1 . . 8.280 6.017 4.932 7.423 . 0 0 "[ . 1 . 2]" 1
423 1 44 TYR QD 1 83 LEU QD . . 7.180 5.159 4.756 5.627 . 0 0 "[ . 1 . 2]" 1
424 1 44 TYR QD 1 83 LEU MD2 . . 8.280 5.949 5.362 6.739 . 0 0 "[ . 1 . 2]" 1
425 1 44 TYR QE 1 74 ILE HA . . 6.180 3.187 2.866 4.045 . 0 0 "[ . 1 . 2]" 1
426 1 44 TYR QE 1 74 ILE MD . . 7.820 4.875 4.315 5.511 . 0 0 "[ . 1 . 2]" 1
427 1 44 TYR QE 1 74 ILE HG12 . . 7.630 3.845 3.286 4.614 . 0 0 "[ . 1 . 2]" 1
428 1 44 TYR QE 1 74 ILE HG13 . . 7.630 4.273 3.145 5.023 . 0 0 "[ . 1 . 2]" 1
429 1 44 TYR QE 1 74 ILE MG . . 6.230 4.045 3.518 4.763 . 0 0 "[ . 1 . 2]" 1
430 1 44 TYR QE 1 79 HIS HB2 . . 5.990 4.710 4.143 5.438 . 0 0 "[ . 1 . 2]" 1
431 1 44 TYR QE 1 79 HIS HB3 . . 5.030 4.577 4.090 5.035 0.005 16 0 "[ . 1 . 2]" 1
432 1 45 GLU H 1 45 GLU HA . . 2.900 2.769 2.749 2.803 . 0 0 "[ . 1 . 2]" 1
433 1 45 GLU H 1 45 GLU QG . . 4.330 3.982 3.947 4.011 . 0 0 "[ . 1 . 2]" 1
434 1 45 GLU H 1 46 SER H . . 3.950 2.826 2.698 2.946 . 0 0 "[ . 1 . 2]" 1
435 1 45 GLU HA 1 45 GLU QG . . 3.020 2.524 2.433 2.562 . 0 0 "[ . 1 . 2]" 1
436 1 45 GLU HA 1 48 LEU H . . 3.550 3.271 3.177 3.573 0.023 17 0 "[ . 1 . 2]" 1
437 1 45 GLU HA 1 48 LEU HB2 . . 3.480 3.239 2.940 3.464 . 0 0 "[ . 1 . 2]" 1
438 1 45 GLU HA 1 48 LEU QB . . 2.850 2.759 2.691 2.853 0.003 15 0 "[ . 1 . 2]" 1
439 1 45 GLU HA 1 48 LEU HB3 . . 3.480 3.006 2.845 3.210 . 0 0 "[ . 1 . 2]" 1
440 1 45 GLU HA 1 48 LEU MD1 . . 4.440 3.963 3.751 4.135 . 0 0 "[ . 1 . 2]" 1
441 1 45 GLU HA 1 48 LEU MD2 . . 4.600 4.363 4.083 4.622 0.022 13 0 "[ . 1 . 2]" 1
442 1 45 GLU QB 1 49 LEU QD . . 5.830 4.687 4.552 4.833 . 0 0 "[ . 1 . 2]" 1
443 1 45 GLU QG 1 46 SER H . . 4.570 3.520 3.092 4.009 . 0 0 "[ . 1 . 2]" 1
444 1 45 GLU QG 1 49 LEU QD . . 3.790 3.256 2.999 3.557 . 0 0 "[ . 1 . 2]" 1
445 1 45 GLU HG2 1 49 LEU MD1 . . 5.370 4.715 4.521 5.099 . 0 0 "[ . 1 . 2]" 1
446 1 45 GLU HG2 1 49 LEU MD2 . . 5.370 3.519 3.163 4.008 . 0 0 "[ . 1 . 2]" 1
447 1 45 GLU HG3 1 49 LEU MD1 . . 5.370 5.216 4.896 5.384 0.014 12 0 "[ . 1 . 2]" 1
448 1 45 GLU HG3 1 49 LEU MD2 . . 5.370 4.328 3.974 4.659 . 0 0 "[ . 1 . 2]" 1
449 1 46 SER H 1 47 LYS H . . 4.070 2.864 2.812 2.975 . 0 0 "[ . 1 . 2]" 1
450 1 46 SER HA 1 47 LYS H . . 3.450 3.542 3.527 3.567 0.117 17 0 "[ . 1 . 2]" 1
451 1 46 SER HA 1 49 LEU H . . 3.450 3.497 3.462 3.525 0.075 11 0 "[ . 1 . 2]" 1
452 1 46 SER HA 1 49 LEU HB2 . . 3.610 3.690 3.640 3.801 0.191 13 0 "[ . 1 . 2]" 1
453 1 46 SER HA 1 49 LEU HB3 . . 3.860 2.459 2.356 2.557 . 0 0 "[ . 1 . 2]" 1
454 1 46 SER HA 1 49 LEU QD . . 3.810 3.217 2.982 3.331 . 0 0 "[ . 1 . 2]" 1
455 1 46 SER HA 1 50 LEU H . . 4.110 3.890 3.776 4.125 0.015 17 0 "[ . 1 . 2]" 1
456 1 46 SER HA 1 50 LEU QD . . 5.710 4.759 3.760 5.197 . 0 0 "[ . 1 . 2]" 1
457 1 46 SER HA 1 50 LEU HG . . 5.340 5.406 5.359 5.523 0.183 7 0 "[ . 1 . 2]" 1
458 1 46 SER QB 1 49 LEU QD . . 7.260 4.501 4.025 4.817 . 0 0 "[ . 1 . 2]" 1
459 1 47 LYS H 1 47 LYS QB . . 3.900 2.196 2.061 2.406 . 0 0 "[ . 1 . 2]" 1
460 1 47 LYS H 1 48 LEU H . . 3.170 2.626 2.571 2.759 . 0 0 "[ . 1 . 2]" 1
461 1 47 LYS H 1 48 LEU MD1 . . 6.520 6.009 5.806 6.153 . 0 0 "[ . 1 . 2]" 1
462 1 47 LYS H 1 49 LEU H . . 4.760 3.816 3.766 3.904 . 0 0 "[ . 1 . 2]" 1
463 1 47 LYS HA 1 50 LEU H . . 3.580 3.447 3.343 3.535 . 0 0 "[ . 1 . 2]" 1
464 1 47 LYS HA 1 50 LEU HB3 . . 3.830 3.903 3.864 3.978 0.148 16 0 "[ . 1 . 2]" 1
465 1 47 LYS HA 1 50 LEU MD1 . . 6.520 4.427 3.822 5.521 . 0 0 "[ . 1 . 2]" 1
466 1 47 LYS HA 1 50 LEU QD . . 5.670 4.143 3.757 4.700 . 0 0 "[ . 1 . 2]" 1
467 1 47 LYS HA 1 50 LEU MD2 . . 6.520 5.450 4.916 5.631 . 0 0 "[ . 1 . 2]" 1
468 1 47 LYS HA 1 51 ASN H . . 5.220 4.364 4.093 4.965 . 0 0 "[ . 1 . 2]" 1
469 1 47 LYS HA 1 51 ASN QD . . 5.340 3.532 2.866 5.338 . 0 0 "[ . 1 . 2]" 1
470 1 47 LYS HA 1 72 ILE MG . . 6.120 5.313 4.715 6.004 . 0 0 "[ . 1 . 2]" 1
471 1 47 LYS QG 1 74 ILE HG12 . . 6.380 5.250 4.686 6.034 . 0 0 "[ . 1 . 2]" 1
472 1 48 LEU H 1 48 LEU HB2 . . 3.080 2.296 2.191 2.371 . 0 0 "[ . 1 . 2]" 1
473 1 48 LEU H 1 48 LEU QB . . 2.690 2.199 2.140 2.236 . 0 0 "[ . 1 . 2]" 1
474 1 48 LEU H 1 48 LEU HB3 . . 3.080 2.829 2.729 3.007 . 0 0 "[ . 1 . 2]" 1
475 1 48 LEU H 1 48 LEU MD1 . . 4.600 4.065 3.945 4.140 . 0 0 "[ . 1 . 2]" 1
476 1 48 LEU H 1 48 LEU MD2 . . 4.750 4.345 4.278 4.419 . 0 0 "[ . 1 . 2]" 1
477 1 48 LEU H 1 48 LEU HG . . 5.470 4.320 4.155 4.391 . 0 0 "[ . 1 . 2]" 1
478 1 48 LEU H 1 49 LEU H . . 3.170 2.487 2.443 2.531 . 0 0 "[ . 1 . 2]" 1
479 1 48 LEU HA 1 48 LEU HB2 . . 2.990 2.640 2.589 2.735 . 0 0 "[ . 1 . 2]" 1
480 1 48 LEU HA 1 48 LEU HB3 . . 2.990 2.975 2.928 2.994 0.004 5 0 "[ . 1 . 2]" 1
481 1 48 LEU HA 1 48 LEU MD1 . . 3.670 3.511 3.368 3.593 . 0 0 "[ . 1 . 2]" 1
482 1 48 LEU HA 1 48 LEU MD2 . . 3.420 3.140 2.859 3.298 . 0 0 "[ . 1 . 2]" 1
483 1 48 LEU HA 1 49 LEU H . . 3.210 3.310 3.307 3.317 0.107 2 0 "[ . 1 . 2]" 1
484 1 48 LEU HA 1 51 ASN HB2 . . 4.820 3.238 2.902 3.900 . 0 0 "[ . 1 . 2]" 1
485 1 48 LEU HA 1 51 ASN HB3 . . 4.820 4.316 3.552 4.633 . 0 0 "[ . 1 . 2]" 1
486 1 48 LEU HA 1 53 PHE HB2 . . 4.230 3.749 3.140 4.232 0.002 13 0 "[ . 1 . 2]" 1
487 1 48 LEU HA 1 53 PHE QB . . 3.680 3.131 2.660 3.477 . 0 0 "[ . 1 . 2]" 1
488 1 48 LEU HA 1 53 PHE HB3 . . 4.230 3.356 2.873 3.717 . 0 0 "[ . 1 . 2]" 1
489 1 48 LEU HA 1 53 PHE QD . . 5.920 4.778 4.430 5.319 . 0 0 "[ . 1 . 2]" 1
490 1 48 LEU HA 1 72 ILE MD . . 5.220 2.873 2.643 3.307 . 0 0 "[ . 1 . 2]" 1
491 1 48 LEU QB 1 48 LEU MD2 . . 3.150 2.030 1.976 2.156 . 0 0 "[ . 1 . 2]" 1
492 1 48 LEU QB 1 49 LEU H . . 3.780 3.278 3.265 3.300 . 0 0 "[ . 1 . 2]" 1
493 1 48 LEU QB 1 53 PHE QB . . 4.810 3.993 3.560 4.173 . 0 0 "[ . 1 . 2]" 1
494 1 48 LEU HB2 1 48 LEU MD1 . . 3.510 2.155 2.077 2.201 . 0 0 "[ . 1 . 2]" 1
495 1 48 LEU HB2 1 48 LEU MD2 . . 3.600 3.100 3.050 3.132 . 0 0 "[ . 1 . 2]" 1
496 1 48 LEU HB2 1 49 LEU H . . 4.540 4.044 3.917 4.108 . 0 0 "[ . 1 . 2]" 1
497 1 48 LEU HB3 1 48 LEU MD1 . . 3.510 2.678 2.606 2.768 . 0 0 "[ . 1 . 2]" 1
498 1 48 LEU HB3 1 48 LEU MD2 . . 3.600 2.058 1.999 2.197 . 0 0 "[ . 1 . 2]" 1
499 1 48 LEU HB3 1 49 LEU H . . 4.540 3.468 3.427 3.553 . 0 0 "[ . 1 . 2]" 1
500 1 48 LEU MD1 1 49 LEU H . . 6.020 5.338 5.318 5.349 . 0 0 "[ . 1 . 2]" 1
501 1 48 LEU MD1 1 72 ILE MG . . 4.440 4.470 4.431 4.497 0.057 14 0 "[ . 1 . 2]" 1
502 1 48 LEU MD1 1 83 LEU MD1 . . 5.150 2.175 1.899 2.951 . 0 0 "[ . 1 . 2]" 1
503 1 48 LEU MD1 1 83 LEU QD . . 4.190 1.888 1.701 2.242 . 0 0 "[ . 1 . 2]" 1
504 1 48 LEU MD1 1 83 LEU MD2 . . 5.150 2.315 1.830 3.059 . 0 0 "[ . 1 . 2]" 1
505 1 48 LEU MD2 1 49 LEU H . . 6.520 4.365 4.248 4.527 . 0 0 "[ . 1 . 2]" 1
506 1 48 LEU MD2 1 52 GLY QA . . 5.540 5.605 5.574 5.665 0.125 2 0 "[ . 1 . 2]" 1
507 1 48 LEU MD2 1 53 PHE H . . 6.520 3.776 3.689 3.938 . 0 0 "[ . 1 . 2]" 1
508 1 48 LEU MD2 1 53 PHE QB . . 4.580 1.975 1.923 2.381 . 0 0 "[ . 1 . 2]" 1
509 1 48 LEU MD2 1 53 PHE QD . . 8.090 3.334 2.537 3.480 . 0 0 "[ . 1 . 2]" 1
510 1 48 LEU MD2 1 72 ILE MD . . 4.440 3.965 3.147 4.127 . 0 0 "[ . 1 . 2]" 1
511 1 48 LEU HG 1 53 PHE HB2 . . 5.160 3.797 3.332 4.585 . 0 0 "[ . 1 . 2]" 1
512 1 48 LEU HG 1 53 PHE QB . . 4.410 2.527 2.108 3.291 . 0 0 "[ . 1 . 2]" 1
513 1 48 LEU HG 1 53 PHE HB3 . . 5.160 2.567 2.128 3.372 . 0 0 "[ . 1 . 2]" 1
514 1 48 LEU HG 1 59 LEU QD . . 4.980 4.740 4.166 5.003 0.023 10 0 "[ . 1 . 2]" 1
515 1 48 LEU HG 1 72 ILE MD . . 5.130 2.708 1.978 2.889 . 0 0 "[ . 1 . 2]" 1
516 1 48 LEU HG 1 72 ILE QG . . 5.030 4.870 3.999 5.043 0.013 8 0 "[ . 1 . 2]" 1
517 1 48 LEU HG 1 72 ILE MG . . 6.520 3.744 3.425 3.973 . 0 0 "[ . 1 . 2]" 1
518 1 49 LEU H 1 49 LEU HB2 . . 3.110 3.005 2.944 3.086 . 0 0 "[ . 1 . 2]" 1
519 1 49 LEU H 1 49 LEU HB3 . . 2.650 2.416 2.354 2.459 . 0 0 "[ . 1 . 2]" 1
520 1 49 LEU H 1 49 LEU MD1 . . 5.400 4.288 4.248 4.329 . 0 0 "[ . 1 . 2]" 1
521 1 49 LEU H 1 49 LEU QD . . 4.710 3.858 3.849 3.867 . 0 0 "[ . 1 . 2]" 1
522 1 49 LEU H 1 49 LEU MD2 . . 5.400 4.376 4.345 4.406 . 0 0 "[ . 1 . 2]" 1
523 1 49 LEU H 1 50 LEU H . . 2.800 2.102 2.041 2.154 . 0 0 "[ . 1 . 2]" 1
524 1 49 LEU HA 1 49 LEU HB2 . . 2.680 2.382 2.343 2.412 . 0 0 "[ . 1 . 2]" 1
525 1 49 LEU HA 1 49 LEU MD1 . . 4.100 2.189 2.086 2.303 . 0 0 "[ . 1 . 2]" 1
526 1 49 LEU HA 1 49 LEU QD . . 3.440 2.177 2.078 2.287 . 0 0 "[ . 1 . 2]" 1
527 1 49 LEU HA 1 49 LEU MD2 . . 4.100 3.878 3.828 3.917 . 0 0 "[ . 1 . 2]" 1
528 1 49 LEU HA 1 53 PHE H . . 3.450 3.431 3.182 3.488 0.038 15 0 "[ . 1 . 2]" 1
529 1 49 LEU HA 1 54 ASP HB2 . . 3.550 3.493 1.997 3.597 0.047 6 0 "[ . 1 . 2]" 1
530 1 49 LEU HA 1 54 ASP HB3 . . 3.550 2.321 2.137 3.603 0.053 13 0 "[ . 1 . 2]" 1
531 1 49 LEU QD 1 50 LEU H . . 5.750 3.893 3.859 3.942 . 0 0 "[ . 1 . 2]" 1
532 1 49 LEU QD 1 54 ASP HA . . 4.570 3.908 3.713 4.123 . 0 0 "[ . 1 . 2]" 1
533 1 49 LEU QD 1 54 ASP QB . . 4.600 1.913 1.803 2.098 . 0 0 "[ . 1 . 2]" 1
534 1 49 LEU MD1 1 50 LEU H . . 6.520 4.327 4.220 4.387 . 0 0 "[ . 1 . 2]" 1
535 1 49 LEU MD2 1 50 LEU H . . 6.520 4.419 4.332 4.521 . 0 0 "[ . 1 . 2]" 1
536 1 49 LEU HG 1 50 LEU H . . 3.610 3.666 3.641 3.722 0.112 13 0 "[ . 1 . 2]" 1
537 1 50 LEU H 1 50 LEU HB2 . . 2.960 2.087 2.057 2.163 . 0 0 "[ . 1 . 2]" 1
538 1 50 LEU H 1 50 LEU HB3 . . 3.170 3.196 3.151 3.261 0.091 7 0 "[ . 1 . 2]" 1
539 1 50 LEU H 1 50 LEU MD1 . . 5.870 4.197 4.111 4.377 . 0 0 "[ . 1 . 2]" 1
540 1 50 LEU H 1 50 LEU QD . . 5.090 3.513 2.898 3.737 . 0 0 "[ . 1 . 2]" 1
541 1 50 LEU H 1 51 ASN H . . 3.420 2.497 2.334 2.608 . 0 0 "[ . 1 . 2]" 1
542 1 50 LEU HA 1 50 LEU HB2 . . 2.800 2.824 2.795 2.864 0.064 11 0 "[ . 1 . 2]" 1
543 1 50 LEU HA 1 50 LEU HB3 . . 2.860 2.857 2.819 2.883 0.023 18 0 "[ . 1 . 2]" 1
544 1 50 LEU HA 1 50 LEU MD1 . . 4.660 3.441 2.341 3.780 . 0 0 "[ . 1 . 2]" 1
545 1 50 LEU HA 1 50 LEU QD . . 4.060 2.043 1.917 2.156 . 0 0 "[ . 1 . 2]" 1
546 1 50 LEU HA 1 50 LEU MD2 . . 4.660 2.078 1.979 2.169 . 0 0 "[ . 1 . 2]" 1
547 1 50 LEU HA 1 50 LEU HG . . 4.110 2.890 2.631 3.621 . 0 0 "[ . 1 . 2]" 1
548 1 50 LEU HA 1 52 GLY H . . 4.970 3.476 3.422 3.621 . 0 0 "[ . 1 . 2]" 1
549 1 50 LEU HB2 1 51 ASN H . . 4.450 3.623 3.492 4.042 . 0 0 "[ . 1 . 2]" 1
550 1 50 LEU QD 1 51 ASN QD . . 5.960 4.227 3.712 5.069 . 0 0 "[ . 1 . 2]" 1
551 1 51 ASN H 1 51 ASN HB2 . . 3.670 2.312 2.204 2.517 . 0 0 "[ . 1 . 2]" 1
552 1 51 ASN H 1 51 ASN QB . . 3.070 2.269 2.176 2.472 . 0 0 "[ . 1 . 2]" 1
553 1 51 ASN H 1 51 ASN HB3 . . 3.670 3.409 2.826 3.624 . 0 0 "[ . 1 . 2]" 1
554 1 51 ASN H 1 52 GLY H . . 2.960 2.640 2.288 2.726 . 0 0 "[ . 1 . 2]" 1
555 1 51 ASN H 1 53 PHE H . . 4.140 3.541 3.309 4.147 0.007 17 0 "[ . 1 . 2]" 1
556 1 51 ASN HA 1 52 GLY H . . 2.960 3.035 3.011 3.053 0.093 4 0 "[ . 1 . 2]" 1
557 1 51 ASN QB 1 52 GLY H . . 3.910 3.691 3.673 3.711 . 0 0 "[ . 1 . 2]" 1
558 1 51 ASN QB 1 53 PHE H . . 4.440 3.553 3.123 4.451 0.011 17 0 "[ . 1 . 2]" 1
559 1 51 ASN QB 1 72 ILE HA . . 5.260 3.444 2.733 4.399 . 0 0 "[ . 1 . 2]" 1
560 1 51 ASN QB 1 72 ILE HB . . 4.530 3.034 2.722 3.886 . 0 0 "[ . 1 . 2]" 1
561 1 51 ASN QB 1 72 ILE MD . . 4.570 3.932 3.659 4.207 . 0 0 "[ . 1 . 2]" 1
562 1 51 ASN QB 1 72 ILE MG . . 3.530 2.047 1.867 2.332 . 0 0 "[ . 1 . 2]" 1
563 1 51 ASN HB2 1 52 GLY H . . 4.510 4.100 3.987 4.391 . 0 0 "[ . 1 . 2]" 1
564 1 51 ASN HB2 1 72 ILE MG . . 4.100 2.394 2.133 2.712 . 0 0 "[ . 1 . 2]" 1
565 1 51 ASN HB3 1 52 GLY H . . 4.510 4.215 3.964 4.338 . 0 0 "[ . 1 . 2]" 1
566 1 51 ASN HB3 1 72 ILE MG . . 4.100 2.274 1.931 2.787 . 0 0 "[ . 1 . 2]" 1
567 1 51 ASN QD 1 72 ILE HB . . 4.730 3.247 2.645 3.810 . 0 0 "[ . 1 . 2]" 1
568 1 51 ASN QD 1 72 ILE MD . . 5.070 4.725 4.050 5.073 0.003 8 0 "[ . 1 . 2]" 1
569 1 51 ASN QD 1 72 ILE MG . . 4.770 3.002 2.167 3.512 . 0 0 "[ . 1 . 2]" 1
570 1 52 GLY H 1 53 PHE H . . 3.170 2.887 2.798 3.147 . 0 0 "[ . 1 . 2]" 1
571 1 53 PHE H 1 53 PHE HB2 . . 3.420 2.580 2.347 3.031 . 0 0 "[ . 1 . 2]" 1
572 1 53 PHE H 1 53 PHE QB . . 2.990 2.463 2.277 2.826 . 0 0 "[ . 1 . 2]" 1
573 1 53 PHE H 1 53 PHE HB3 . . 3.420 3.138 3.041 3.379 . 0 0 "[ . 1 . 2]" 1
574 1 53 PHE H 1 54 ASP H . . 3.080 2.167 1.882 2.392 . 0 0 "[ . 1 . 2]" 1
575 1 53 PHE H 1 72 ILE MD . . 6.520 6.007 5.557 6.478 . 0 0 "[ . 1 . 2]" 1
576 1 53 PHE HA 1 53 PHE HE1 . . 5.500 4.407 4.331 4.711 . 0 0 "[ . 1 . 2]" 1
577 1 53 PHE HA 1 54 ASP H . . 3.140 3.146 2.996 3.205 0.065 6 0 "[ . 1 . 2]" 1
578 1 53 PHE HA 1 55 ASP H . . 3.240 3.226 3.147 3.271 0.031 17 0 "[ . 1 . 2]" 1
579 1 53 PHE QB 1 53 PHE HE2 . . 4.480 4.303 4.298 4.331 . 0 0 "[ . 1 . 2]" 1
580 1 53 PHE QB 1 59 LEU QD . . 4.760 4.352 4.110 4.738 . 0 0 "[ . 1 . 2]" 1
581 1 53 PHE HB2 1 53 PHE HE2 . . 5.280 4.612 4.594 4.625 . 0 0 "[ . 1 . 2]" 1
582 1 53 PHE HB3 1 53 PHE HE2 . . 5.280 5.151 5.107 5.289 0.009 6 0 "[ . 1 . 2]" 1
583 1 53 PHE QD 1 55 ASP QB . . 7.320 3.952 3.595 4.648 . 0 0 "[ . 1 . 2]" 1
584 1 53 PHE QD 1 59 LEU QD . . 7.500 3.141 2.728 3.749 . 0 0 "[ . 1 . 2]" 1
585 1 53 PHE QD 1 64 MET ME . . 7.620 3.704 3.059 4.865 . 0 0 "[ . 1 . 2]" 1
586 1 53 PHE QD 1 68 ASP HB2 . . 7.630 6.100 4.891 6.642 . 0 0 "[ . 1 . 2]" 1
587 1 53 PHE QD 1 68 ASP HB3 . . 7.630 5.043 4.088 6.051 . 0 0 "[ . 1 . 2]" 1
588 1 53 PHE QD 1 72 ILE MG . . 8.650 2.701 2.166 3.491 . 0 0 "[ . 1 . 2]" 1
589 1 53 PHE HE1 1 58 PHE HB2 . . 4.630 4.606 4.171 4.651 0.021 6 0 "[ . 1 . 2]" 1
590 1 53 PHE HE1 1 58 PHE HB3 . . 4.630 3.035 2.473 3.462 . 0 0 "[ . 1 . 2]" 1
591 1 53 PHE HE1 1 64 MET HA . . 5.160 5.070 4.741 5.187 0.027 12 0 "[ . 1 . 2]" 1
592 1 53 PHE HE2 1 62 ASN HB2 . . 5.500 5.231 4.512 5.492 . 0 0 "[ . 1 . 2]" 1
593 1 53 PHE HE2 1 62 ASN QB . . 4.640 4.165 3.435 4.673 0.033 17 0 "[ . 1 . 2]" 1
594 1 53 PHE HE2 1 62 ASN HB3 . . 5.500 4.402 3.562 5.382 . 0 0 "[ . 1 . 2]" 1
595 1 53 PHE HE2 1 63 VAL MG1 . . 6.520 3.941 3.672 4.085 . 0 0 "[ . 1 . 2]" 1
596 1 53 PHE HE2 1 63 VAL MG2 . . 6.050 6.109 6.086 6.142 0.092 4 0 "[ . 1 . 2]" 1
597 1 53 PHE HE2 1 64 MET QB . . 6.380 5.347 4.337 6.346 . 0 0 "[ . 1 . 2]" 1
598 1 53 PHE HE2 1 64 MET ME . . 4.720 3.565 2.392 4.729 0.009 10 0 "[ . 1 . 2]" 1
599 1 53 PHE HE2 1 68 ASP HB2 . . 5.500 4.289 3.221 4.716 . 0 0 "[ . 1 . 2]" 1
600 1 53 PHE HE2 1 68 ASP HB3 . . 5.500 3.519 2.652 4.407 . 0 0 "[ . 1 . 2]" 1
601 1 53 PHE HE2 1 72 ILE MD . . 6.020 4.955 4.533 5.775 . 0 0 "[ . 1 . 2]" 1
602 1 53 PHE HE2 1 72 ILE MG . . 4.840 4.008 3.476 4.850 0.010 11 0 "[ . 1 . 2]" 1
603 1 54 ASP H 1 54 ASP HB2 . . 3.890 3.481 2.228 3.595 . 0 0 "[ . 1 . 2]" 1
604 1 54 ASP H 1 54 ASP QB . . 3.360 2.252 2.180 2.346 . 0 0 "[ . 1 . 2]" 1
605 1 54 ASP H 1 54 ASP HB3 . . 3.890 2.329 2.202 3.233 . 0 0 "[ . 1 . 2]" 1
606 1 54 ASP H 1 55 ASP H . . 2.800 2.611 2.405 2.804 0.004 13 0 "[ . 1 . 2]" 1
607 1 54 ASP HA 1 54 ASP HB2 . . 2.830 2.349 2.301 2.850 0.020 13 0 "[ . 1 . 2]" 1
608 1 54 ASP HA 1 54 ASP HB3 . . 2.830 2.624 2.597 2.851 0.021 13 0 "[ . 1 . 2]" 1
609 1 54 ASP HA 1 59 LEU QD . . 6.150 4.579 3.860 5.244 . 0 0 "[ . 1 . 2]" 1
610 1 54 ASP QB 1 55 ASP H . . 3.740 3.649 3.583 3.749 0.009 13 0 "[ . 1 . 2]" 1
611 1 54 ASP HB2 1 55 ASP H . . 4.260 4.273 4.258 4.309 0.049 17 0 "[ . 1 . 2]" 1
612 1 54 ASP HB3 1 55 ASP H . . 4.260 3.961 3.854 4.153 . 0 0 "[ . 1 . 2]" 1
613 1 55 ASP H 1 55 ASP HB2 . . 3.950 2.431 2.238 2.623 . 0 0 "[ . 1 . 2]" 1
614 1 55 ASP H 1 55 ASP QB . . 3.100 2.392 2.214 2.561 . 0 0 "[ . 1 . 2]" 1
615 1 55 ASP H 1 55 ASP HB3 . . 3.950 3.578 3.526 3.594 . 0 0 "[ . 1 . 2]" 1
616 1 55 ASP QB 1 58 PHE H . . 3.850 3.177 3.071 3.305 . 0 0 "[ . 1 . 2]" 1
617 1 55 ASP QB 1 58 PHE QB . . 3.210 1.908 1.870 2.097 . 0 0 "[ . 1 . 2]" 1
618 1 55 ASP HB2 1 58 PHE H . . 4.380 3.905 3.672 4.246 . 0 0 "[ . 1 . 2]" 1
619 1 55 ASP HB2 1 58 PHE HB2 . . 4.320 2.164 2.016 2.315 . 0 0 "[ . 1 . 2]" 1
620 1 55 ASP HB2 1 58 PHE HB3 . . 4.320 3.148 2.819 3.651 . 0 0 "[ . 1 . 2]" 1
621 1 55 ASP HB3 1 58 PHE H . . 4.380 3.371 3.178 3.483 . 0 0 "[ . 1 . 2]" 1
622 1 55 ASP HB3 1 58 PHE HB2 . . 4.320 2.199 2.015 2.448 . 0 0 "[ . 1 . 2]" 1
623 1 55 ASP HB3 1 58 PHE HB3 . . 4.320 3.846 3.571 4.183 . 0 0 "[ . 1 . 2]" 1
624 1 56 VAL H 1 57 HIS H . . 4.320 2.594 2.496 2.678 . 0 0 "[ . 1 . 2]" 1
625 1 56 VAL HA 1 59 LEU H . . 5.500 3.684 3.498 4.024 . 0 0 "[ . 1 . 2]" 1
626 1 56 VAL HA 1 59 LEU QB . . 4.290 4.135 3.445 4.436 0.146 10 0 "[ . 1 . 2]" 1
627 1 56 VAL HA 1 59 LEU QD . . 4.080 2.225 1.854 2.583 . 0 0 "[ . 1 . 2]" 1
628 1 56 VAL HA 1 59 LEU HG . . 3.860 2.821 2.174 3.866 0.006 5 0 "[ . 1 . 2]" 1
629 1 56 VAL HB 1 57 HIS H . . 3.790 3.105 3.081 3.175 . 0 0 "[ . 1 . 2]" 1
630 1 56 VAL MG1 1 57 HIS H . . 5.960 3.820 3.768 3.924 . 0 0 "[ . 1 . 2]" 1
631 1 56 VAL MG1 1 59 LEU H . . 6.360 4.446 4.321 4.882 . 0 0 "[ . 1 . 2]" 1
632 1 56 VAL MG1 1 59 LEU QD . . 5.560 2.360 1.908 3.427 . 0 0 "[ . 1 . 2]" 1
633 1 56 VAL MG1 1 60 GLY H . . 5.810 5.576 5.103 5.816 0.006 8 0 "[ . 1 . 2]" 1
634 1 56 VAL MG2 1 57 HIS H . . 5.090 4.006 3.991 4.021 . 0 0 "[ . 1 . 2]" 1
635 1 56 VAL MG2 1 59 LEU QD . . 4.410 3.179 2.891 3.425 . 0 0 "[ . 1 . 2]" 1
636 1 56 VAL MG2 1 90 LEU QD . . 4.410 4.393 4.084 4.446 0.036 20 0 "[ . 1 . 2]" 1
637 1 57 HIS H 1 58 PHE H . . 3.050 2.627 2.596 2.769 . 0 0 "[ . 1 . 2]" 1
638 1 57 HIS HA 1 58 PHE H . . 3.080 3.092 2.983 3.121 0.041 12 0 "[ . 1 . 2]" 1
639 1 57 HIS HA 1 60 GLY H . . 5.310 4.530 4.134 4.775 . 0 0 "[ . 1 . 2]" 1
640 1 57 HIS QB 1 58 PHE H . . 5.140 3.766 3.598 4.008 . 0 0 "[ . 1 . 2]" 1
641 1 58 PHE H 1 58 PHE HB2 . . 3.270 2.507 2.386 2.603 . 0 0 "[ . 1 . 2]" 1
642 1 58 PHE H 1 58 PHE QB . . 2.790 2.428 2.333 2.507 . 0 0 "[ . 1 . 2]" 1
643 1 58 PHE H 1 58 PHE HB3 . . 3.270 3.253 3.108 3.294 0.024 6 0 "[ . 1 . 2]" 1
644 1 58 PHE H 1 59 LEU H . . 3.050 1.904 1.880 2.026 . 0 0 "[ . 1 . 2]" 1
645 1 58 PHE H 1 59 LEU QD . . 5.530 3.364 2.443 4.065 . 0 0 "[ . 1 . 2]" 1
646 1 58 PHE H 1 90 LEU MD1 . . 6.520 5.956 5.004 6.445 . 0 0 "[ . 1 . 2]" 1
647 1 58 PHE H 1 90 LEU QD . . 5.570 4.936 4.607 5.290 . 0 0 "[ . 1 . 2]" 1
648 1 58 PHE H 1 90 LEU MD2 . . 6.520 5.311 4.718 5.876 . 0 0 "[ . 1 . 2]" 1
649 1 58 PHE HA 1 58 PHE QB . . 2.610 2.537 2.524 2.540 . 0 0 "[ . 1 . 2]" 1
650 1 58 PHE HA 1 61 SER HB2 . . 3.300 2.833 2.018 3.304 0.004 10 0 "[ . 1 . 2]" 1
651 1 58 PHE HA 1 61 SER HB3 . . 3.300 2.982 2.081 3.306 0.006 10 0 "[ . 1 . 2]" 1
652 1 58 PHE QB 1 59 LEU H . . 3.500 3.186 2.594 3.460 . 0 0 "[ . 1 . 2]" 1
653 1 58 PHE QD 1 59 LEU QD . . 7.210 5.176 4.608 5.695 . 0 0 "[ . 1 . 2]" 1
654 1 59 LEU H 1 59 LEU HB2 . . 3.550 2.582 2.166 3.559 0.009 10 0 "[ . 1 . 2]" 1
655 1 59 LEU H 1 59 LEU QB . . 3.090 2.486 2.145 2.688 . 0 0 "[ . 1 . 2]" 1
656 1 59 LEU H 1 59 LEU HB3 . . 3.550 3.524 2.782 3.584 0.034 6 0 "[ . 1 . 2]" 1
657 1 59 LEU H 1 59 LEU HG . . 4.480 2.519 1.921 4.033 . 0 0 "[ . 1 . 2]" 1
658 1 59 LEU H 1 60 GLY H . . 3.480 2.772 2.621 2.922 . 0 0 "[ . 1 . 2]" 1
659 1 59 LEU HA 1 59 LEU QD . . 3.930 2.233 1.896 3.453 . 0 0 "[ . 1 . 2]" 1
660 1 59 LEU HA 1 64 MET QB . . 5.390 4.057 3.272 4.861 . 0 0 "[ . 1 . 2]" 1
661 1 59 LEU HA 1 64 MET ME . . 4.840 4.357 3.294 4.843 0.003 9 0 "[ . 1 . 2]" 1
662 1 59 LEU QB 1 60 GLY H . . 3.440 2.638 2.272 3.399 . 0 0 "[ . 1 . 2]" 1
663 1 59 LEU QB 1 90 LEU QD . . 3.680 2.378 1.807 3.696 0.016 10 0 "[ . 1 . 2]" 1
664 1 59 LEU HB2 1 60 GLY H . . 4.170 2.715 2.299 3.600 . 0 0 "[ . 1 . 2]" 1
665 1 59 LEU HB2 1 90 LEU MD1 . . 5.920 2.694 1.892 4.147 . 0 0 "[ . 1 . 2]" 1
666 1 59 LEU HB2 1 90 LEU MD2 . . 5.920 3.253 2.330 4.629 . 0 0 "[ . 1 . 2]" 1
667 1 59 LEU HB3 1 60 GLY H . . 4.170 3.678 3.002 4.173 0.003 10 0 "[ . 1 . 2]" 1
668 1 59 LEU HB3 1 90 LEU MD1 . . 5.920 3.029 2.418 5.159 . 0 0 "[ . 1 . 2]" 1
669 1 59 LEU HB3 1 90 LEU MD2 . . 5.920 4.272 3.471 5.386 . 0 0 "[ . 1 . 2]" 1
670 1 59 LEU MD1 1 60 GLY H . . 6.520 4.383 2.766 4.774 . 0 0 "[ . 1 . 2]" 1
671 1 59 LEU MD2 1 60 GLY H . . 6.520 4.466 3.969 4.875 . 0 0 "[ . 1 . 2]" 1
672 1 60 GLY H 1 61 SER H . . 3.580 2.651 2.187 3.487 . 0 0 "[ . 1 . 2]" 1
673 1 60 GLY H 1 87 ALA MB . . 6.270 5.036 4.442 5.504 . 0 0 "[ . 1 . 2]" 1
674 1 60 GLY H 1 90 LEU QD . . 6.150 3.733 2.356 4.228 . 0 0 "[ . 1 . 2]" 1
675 1 60 GLY QA 1 61 SER H . . 3.060 2.821 2.576 2.916 . 0 0 "[ . 1 . 2]" 1
676 1 60 GLY QA 1 87 ALA MB . . 5.140 4.267 3.451 4.878 . 0 0 "[ . 1 . 2]" 1
677 1 60 GLY QA 1 88 ARG QB . . 5.960 5.654 4.776 5.984 0.024 10 0 "[ . 1 . 2]" 1
678 1 60 GLY QA 1 90 LEU HB2 . . 4.020 3.981 3.476 4.037 0.017 11 0 "[ . 1 . 2]" 1
679 1 60 GLY QA 1 90 LEU HB3 . . 5.340 4.268 3.599 5.248 . 0 0 "[ . 1 . 2]" 1
680 1 60 GLY QA 1 90 LEU QD . . 5.090 3.852 2.230 4.241 . 0 0 "[ . 1 . 2]" 1
681 1 60 GLY QA 1 93 VAL QG . . 4.680 4.040 3.267 4.556 . 0 0 "[ . 1 . 2]" 1
682 1 61 SER H 1 61 SER HB2 . . 3.610 2.667 2.095 3.239 . 0 0 "[ . 1 . 2]" 1
683 1 61 SER H 1 61 SER HB3 . . 3.610 3.028 2.334 3.415 . 0 0 "[ . 1 . 2]" 1
684 1 62 ASN HA 1 63 VAL H . . 2.960 2.407 2.272 2.693 . 0 0 "[ . 1 . 2]" 1
685 1 62 ASN HB2 1 63 VAL H . . 4.380 3.844 2.212 4.175 . 0 0 "[ . 1 . 2]" 1
686 1 62 ASN HB3 1 63 VAL H . . 4.380 3.174 2.278 3.669 . 0 0 "[ . 1 . 2]" 1
687 1 63 VAL H 1 63 VAL HB . . 2.900 2.620 2.604 2.648 . 0 0 "[ . 1 . 2]" 1
688 1 63 VAL H 1 63 VAL MG1 . . 4.630 1.904 1.873 1.916 . 0 0 "[ . 1 . 2]" 1
689 1 63 VAL H 1 63 VAL MG2 . . 4.690 3.765 3.762 3.771 . 0 0 "[ . 1 . 2]" 1
690 1 63 VAL H 1 64 MET H . . 3.420 2.794 2.580 2.876 . 0 0 "[ . 1 . 2]" 1
691 1 63 VAL HA 1 63 VAL HB . . 2.620 2.404 2.385 2.437 . 0 0 "[ . 1 . 2]" 1
692 1 63 VAL HA 1 63 VAL MG1 . . 3.610 3.194 3.187 3.201 . 0 0 "[ . 1 . 2]" 1
693 1 63 VAL HA 1 65 GLU QG . . 6.380 5.198 4.640 6.387 0.007 17 0 "[ . 1 . 2]" 1
694 1 64 MET H 1 65 GLU H . . 2.990 2.989 2.854 3.103 0.113 7 0 "[ . 1 . 2]" 1
695 1 64 MET HA 1 64 MET QG . . 3.930 2.386 2.217 2.794 . 0 0 "[ . 1 . 2]" 1
696 1 64 MET HA 1 65 GLU H . . 2.930 2.634 2.522 2.772 . 0 0 "[ . 1 . 2]" 1
697 1 64 MET HA 1 68 ASP HB2 . . 3.420 3.367 2.807 3.489 0.069 7 0 "[ . 1 . 2]" 1
698 1 64 MET HA 1 68 ASP QB . . 2.940 2.685 2.436 2.956 0.016 2 0 "[ . 1 . 2]" 1
699 1 64 MET HA 1 68 ASP HB3 . . 3.420 2.840 2.491 3.290 . 0 0 "[ . 1 . 2]" 1
700 1 64 MET QB 1 65 GLU H . . 5.200 3.930 3.876 3.999 . 0 0 "[ . 1 . 2]" 1
701 1 64 MET QB 1 84 LEU MD1 . . 5.510 3.042 2.209 3.880 . 0 0 "[ . 1 . 2]" 1
702 1 64 MET QB 1 84 LEU MD2 . . 5.540 4.849 4.096 5.573 0.033 6 0 "[ . 1 . 2]" 1
703 1 64 MET QB 1 87 ALA MB . . 6.720 3.421 3.064 3.871 . 0 0 "[ . 1 . 2]" 1
704 1 64 MET ME 1 68 ASP QB . . 4.820 3.237 2.352 4.297 . 0 0 "[ . 1 . 2]" 1
705 1 64 MET ME 1 69 LEU QB . . 4.180 4.161 3.966 4.267 0.087 6 0 "[ . 1 . 2]" 1
706 1 64 MET ME 1 69 LEU MD1 . . 5.120 3.495 2.472 4.127 . 0 0 "[ . 1 . 2]" 1
707 1 64 MET ME 1 69 LEU QD . . 4.470 1.858 1.751 2.090 . 0 0 "[ . 1 . 2]" 1
708 1 64 MET ME 1 69 LEU MD2 . . 5.120 1.867 1.761 2.096 . 0 0 "[ . 1 . 2]" 1
709 1 64 MET ME 1 72 ILE MG . . 6.640 4.273 3.607 5.811 . 0 0 "[ . 1 . 2]" 1
710 1 64 MET QG 1 65 GLU H . . 6.380 4.496 4.141 4.883 . 0 0 "[ . 1 . 2]" 1
711 1 64 MET QG 1 69 LEU MD1 . . 5.600 4.788 3.350 5.635 0.035 7 0 "[ . 1 . 2]" 1
712 1 64 MET QG 1 69 LEU MD2 . . 5.600 3.513 2.121 4.605 . 0 0 "[ . 1 . 2]" 1
713 1 64 MET QG 1 87 ALA MB . . 6.190 2.833 2.023 3.577 . 0 0 "[ . 1 . 2]" 1
714 1 65 GLU H 1 65 GLU HB2 . . 3.210 2.327 2.129 2.754 . 0 0 "[ . 1 . 2]" 1
715 1 65 GLU H 1 65 GLU QB . . 2.780 2.249 2.103 2.506 . 0 0 "[ . 1 . 2]" 1
716 1 65 GLU H 1 65 GLU HB3 . . 3.210 3.173 2.771 3.327 0.117 20 0 "[ . 1 . 2]" 1
717 1 65 GLU H 1 65 GLU QG . . 4.270 3.753 3.483 4.129 . 0 0 "[ . 1 . 2]" 1
718 1 65 GLU H 1 68 ASP HB2 . . 4.070 2.083 1.921 3.169 . 0 0 "[ . 1 . 2]" 1
719 1 65 GLU H 1 68 ASP QB . . 3.320 2.010 1.841 2.503 . 0 0 "[ . 1 . 2]" 1
720 1 65 GLU H 1 68 ASP HB3 . . 4.070 2.907 2.362 3.713 . 0 0 "[ . 1 . 2]" 1
721 1 65 GLU H 1 69 LEU MD1 . . 5.590 4.999 4.246 5.641 0.051 2 0 "[ . 1 . 2]" 1
722 1 65 GLU H 1 69 LEU QD . . 4.860 4.105 3.726 4.647 . 0 0 "[ . 1 . 2]" 1
723 1 65 GLU H 1 69 LEU MD2 . . 5.590 4.621 3.791 5.595 0.005 19 0 "[ . 1 . 2]" 1
724 1 65 GLU H 1 69 LEU HG . . 5.500 4.560 4.105 5.032 . 0 0 "[ . 1 . 2]" 1
725 1 65 GLU H 1 84 LEU MD1 . . 6.520 4.246 3.931 4.513 . 0 0 "[ . 1 . 2]" 1
726 1 65 GLU H 1 84 LEU MD2 . . 5.710 5.119 4.555 5.542 . 0 0 "[ . 1 . 2]" 1
727 1 65 GLU QB 1 67 GLN H . . 4.440 2.645 2.126 3.047 . 0 0 "[ . 1 . 2]" 1
728 1 65 GLU QB 1 68 ASP H . . 3.130 2.954 2.679 3.169 0.039 11 0 "[ . 1 . 2]" 1
729 1 65 GLU QB 1 69 LEU QD . . 5.050 4.566 4.222 4.851 . 0 0 "[ . 1 . 2]" 1
730 1 65 GLU QB 1 84 LEU MD1 . . 5.050 4.673 4.355 4.878 . 0 0 "[ . 1 . 2]" 1
731 1 65 GLU QB 1 84 LEU MD2 . . 4.430 4.492 4.466 4.522 0.092 16 0 "[ . 1 . 2]" 1
732 1 65 GLU QG 1 66 GLU H . . 6.380 2.646 1.943 3.414 . 0 0 "[ . 1 . 2]" 1
733 1 65 GLU QG 1 68 ASP H . . 5.390 4.870 4.310 5.200 . 0 0 "[ . 1 . 2]" 1
734 1 66 GLU HA 1 69 LEU H . . 3.790 3.625 3.414 3.798 0.008 7 0 "[ . 1 . 2]" 1
735 1 66 GLU HA 1 69 LEU HG . . 4.660 3.329 2.513 4.050 . 0 0 "[ . 1 . 2]" 1
736 1 66 GLU HA 1 80 ARG QD . . 5.340 2.293 1.940 3.305 . 0 0 "[ . 1 . 2]" 1
737 1 66 GLU HA 1 84 LEU MD1 . . 4.190 3.575 2.985 4.151 . 0 0 "[ . 1 . 2]" 1
738 1 66 GLU HA 1 84 LEU MD2 . . 4.530 3.231 2.890 3.556 . 0 0 "[ . 1 . 2]" 1
739 1 66 GLU QB 1 84 LEU MD2 . . 3.740 3.445 2.850 3.787 0.047 9 0 "[ . 1 . 2]" 1
740 1 66 GLU QG 1 70 ARG HD2 . . 6.320 5.416 3.541 6.097 . 0 0 "[ . 1 . 2]" 1
741 1 66 GLU QG 1 70 ARG QD . . 5.510 4.984 3.408 5.513 0.003 4 0 "[ . 1 . 2]" 1
742 1 66 GLU QG 1 70 ARG HD3 . . 6.320 5.875 4.439 6.346 0.026 19 0 "[ . 1 . 2]" 1
743 1 66 GLU QG 1 80 ARG HD2 . . 6.380 3.780 1.911 4.800 . 0 0 "[ . 1 . 2]" 1
744 1 66 GLU QG 1 80 ARG HD3 . . 6.380 4.289 2.230 5.454 . 0 0 "[ . 1 . 2]" 1
745 1 66 GLU QG 1 84 LEU MD1 . . 6.040 5.253 3.636 6.004 . 0 0 "[ . 1 . 2]" 1
746 1 66 GLU QG 1 84 LEU MD2 . . 6.350 4.228 2.471 4.987 . 0 0 "[ . 1 . 2]" 1
747 1 67 GLN H 1 67 GLN HB2 . . 3.830 2.230 2.065 2.590 . 0 0 "[ . 1 . 2]" 1
748 1 67 GLN H 1 67 GLN QB . . 3.250 2.142 2.044 2.249 . 0 0 "[ . 1 . 2]" 1
749 1 67 GLN H 1 67 GLN HB3 . . 3.830 2.940 2.455 3.443 . 0 0 "[ . 1 . 2]" 1
750 1 67 GLN H 1 68 ASP H . . 4.200 2.698 2.425 2.831 . 0 0 "[ . 1 . 2]" 1
751 1 67 GLN HA 1 70 ARG H . . 3.420 3.252 3.096 3.447 0.027 6 0 "[ . 1 . 2]" 1
752 1 67 GLN HA 1 70 ARG HB3 . . 2.740 2.546 2.390 2.652 . 0 0 "[ . 1 . 2]" 1
753 1 67 GLN HA 1 70 ARG HD2 . . 4.420 4.412 4.053 4.452 0.032 19 0 "[ . 1 . 2]" 1
754 1 67 GLN HA 1 70 ARG HD3 . . 4.420 4.417 4.106 4.449 0.029 15 0 "[ . 1 . 2]" 1
755 1 67 GLN HA 1 71 ASP H . . 3.950 3.965 3.905 4.000 0.050 8 0 "[ . 1 . 2]" 1
756 1 67 GLN QB 1 67 GLN QE . . 4.060 3.202 2.246 3.682 . 0 0 "[ . 1 . 2]" 1
757 1 67 GLN QE 1 70 ARG HB3 . . 5.340 3.922 2.411 5.136 . 0 0 "[ . 1 . 2]" 1
758 1 67 GLN QE 1 70 ARG QD . . 5.180 3.990 2.617 5.170 . 0 0 "[ . 1 . 2]" 1
759 1 67 GLN QG 1 68 ASP H . . 6.380 4.140 3.648 4.534 . 0 0 "[ . 1 . 2]" 1
760 1 67 GLN QG 1 70 ARG HA . . 6.380 6.168 5.867 6.375 . 0 0 "[ . 1 . 2]" 1
761 1 67 GLN QG 1 71 ASP H . . 6.380 4.244 3.676 4.970 . 0 0 "[ . 1 . 2]" 1
762 1 67 GLN QG 1 71 ASP HA . . 6.380 5.285 4.883 6.086 . 0 0 "[ . 1 . 2]" 1
763 1 68 ASP H 1 68 ASP HB2 . . 3.330 2.164 2.067 2.786 . 0 0 "[ . 1 . 2]" 1
764 1 68 ASP H 1 68 ASP HB3 . . 3.330 3.079 2.300 3.431 0.101 16 0 "[ . 1 . 2]" 1
765 1 68 ASP H 1 69 LEU H . . 3.080 2.765 2.639 2.834 . 0 0 "[ . 1 . 2]" 1
766 1 68 ASP HA 1 68 ASP HB2 . . 3.020 2.733 2.339 2.942 . 0 0 "[ . 1 . 2]" 1
767 1 68 ASP HA 1 68 ASP HB3 . . 3.020 2.921 2.737 3.011 . 0 0 "[ . 1 . 2]" 1
768 1 68 ASP HA 1 71 ASP H . . 3.580 3.575 3.529 3.601 0.021 2 0 "[ . 1 . 2]" 1
769 1 68 ASP HA 1 71 ASP QB . . 3.970 2.950 2.726 3.138 . 0 0 "[ . 1 . 2]" 1
770 1 68 ASP HA 1 72 ILE H . . 4.420 4.475 4.445 4.512 0.092 3 0 "[ . 1 . 2]" 1
771 1 68 ASP HA 1 72 ILE MG . . 4.290 4.100 4.018 4.207 . 0 0 "[ . 1 . 2]" 1
772 1 68 ASP QB 1 72 ILE MD . . 5.700 4.582 4.283 5.092 . 0 0 "[ . 1 . 2]" 1
773 1 68 ASP QB 1 72 ILE MG . . 4.710 4.291 3.925 4.613 . 0 0 "[ . 1 . 2]" 1
774 1 68 ASP HB2 1 69 LEU H . . 4.320 3.382 2.794 4.006 . 0 0 "[ . 1 . 2]" 1
775 1 68 ASP HB2 1 72 ILE MD . . 6.520 6.077 5.694 6.466 . 0 0 "[ . 1 . 2]" 1
776 1 68 ASP HB3 1 69 LEU H . . 4.320 2.747 2.452 3.028 . 0 0 "[ . 1 . 2]" 1
777 1 68 ASP HB3 1 72 ILE MD . . 6.520 4.745 4.403 5.472 . 0 0 "[ . 1 . 2]" 1
778 1 69 LEU H 1 69 LEU QB . . 3.000 2.634 2.577 2.720 . 0 0 "[ . 1 . 2]" 1
779 1 69 LEU H 1 69 LEU HG . . 3.450 2.059 1.973 2.155 . 0 0 "[ . 1 . 2]" 1
780 1 69 LEU H 1 70 ARG H . . 3.210 2.498 2.437 2.637 . 0 0 "[ . 1 . 2]" 1
781 1 69 LEU HA 1 69 LEU MD1 . . 4.070 3.898 3.790 3.962 . 0 0 "[ . 1 . 2]" 1
782 1 69 LEU HA 1 69 LEU QD . . 3.270 2.475 2.146 2.791 . 0 0 "[ . 1 . 2]" 1
783 1 69 LEU HA 1 69 LEU MD2 . . 4.070 2.508 2.157 2.855 . 0 0 "[ . 1 . 2]" 1
784 1 69 LEU HA 1 70 ARG H . . 3.550 3.478 3.441 3.535 . 0 0 "[ . 1 . 2]" 1
785 1 69 LEU HA 1 72 ILE H . . 3.450 3.590 3.552 3.638 0.188 15 0 "[ . 1 . 2]" 1
786 1 69 LEU HA 1 72 ILE QG . . 2.980 1.987 1.962 2.057 . 0 0 "[ . 1 . 2]" 1
787 1 69 LEU QB 1 69 LEU QD . . 2.860 1.830 1.729 1.931 . 0 0 "[ . 1 . 2]" 1
788 1 69 LEU QB 1 70 ARG H . . 4.120 2.838 2.534 2.987 . 0 0 "[ . 1 . 2]" 1
789 1 69 LEU QB 1 74 ILE HB . . 3.560 2.020 1.960 2.085 . 0 0 "[ . 1 . 2]" 1
790 1 69 LEU QB 1 80 ARG HA . . 5.340 3.146 3.075 3.234 . 0 0 "[ . 1 . 2]" 1
791 1 69 LEU QB 1 80 ARG QD . . 3.250 2.741 2.445 3.003 . 0 0 "[ . 1 . 2]" 1
792 1 69 LEU HB2 1 74 ILE MD . . 6.020 4.146 3.836 4.442 . 0 0 "[ . 1 . 2]" 1
793 1 69 LEU HB3 1 74 ILE MD . . 6.020 2.607 2.297 2.892 . 0 0 "[ . 1 . 2]" 1
794 1 69 LEU QD 1 71 ASP H . . 5.700 5.337 5.142 5.500 . 0 0 "[ . 1 . 2]" 1
795 1 69 LEU QD 1 74 ILE HB . . 4.930 3.299 3.169 3.436 . 0 0 "[ . 1 . 2]" 1
796 1 69 LEU QD 1 74 ILE MD . . 4.800 2.570 2.283 2.853 . 0 0 "[ . 1 . 2]" 1
797 1 69 LEU QD 1 80 ARG HA . . 4.050 2.160 1.879 2.459 . 0 0 "[ . 1 . 2]" 1
798 1 69 LEU QD 1 80 ARG HB3 . . 4.770 3.018 2.703 3.421 . 0 0 "[ . 1 . 2]" 1
799 1 69 LEU QD 1 83 LEU H . . 5.940 3.716 3.638 3.820 . 0 0 "[ . 1 . 2]" 1
800 1 69 LEU QD 1 84 LEU H . . 5.530 3.360 3.121 3.538 . 0 0 "[ . 1 . 2]" 1
801 1 69 LEU QD 1 84 LEU HA . . 6.420 3.565 3.482 3.647 . 0 0 "[ . 1 . 2]" 1
802 1 69 LEU QD 1 84 LEU MD1 . . 5.460 1.673 1.600 1.740 . 0 0 "[ . 1 . 2]" 1
803 1 69 LEU QD 1 84 LEU MD2 . . 5.910 2.551 2.002 3.077 . 0 0 "[ . 1 . 2]" 1
804 1 69 LEU QD 1 84 LEU HG . . 5.770 3.774 3.496 4.036 . 0 0 "[ . 1 . 2]" 1
805 1 69 LEU MD1 1 70 ARG H . . 6.520 4.371 3.871 4.865 . 0 0 "[ . 1 . 2]" 1
806 1 69 LEU MD2 1 70 ARG H . . 6.520 4.625 4.250 5.000 . 0 0 "[ . 1 . 2]" 1
807 1 70 ARG H 1 70 ARG HB2 . . 3.110 2.534 2.504 2.612 . 0 0 "[ . 1 . 2]" 1
808 1 70 ARG H 1 70 ARG HB3 . . 3.760 2.565 2.447 2.596 . 0 0 "[ . 1 . 2]" 1
809 1 70 ARG H 1 70 ARG QD . . 4.210 4.306 4.280 4.365 0.155 9 0 "[ . 1 . 2]" 1
810 1 70 ARG H 1 70 ARG HG2 . . 5.440 4.559 4.429 4.583 . 0 0 "[ . 1 . 2]" 1
811 1 70 ARG H 1 70 ARG QG . . 4.600 3.996 3.962 4.006 . 0 0 "[ . 1 . 2]" 1
812 1 70 ARG H 1 70 ARG HG3 . . 5.440 4.421 4.410 4.466 . 0 0 "[ . 1 . 2]" 1
813 1 70 ARG H 1 71 ASP H . . 3.170 2.486 2.439 2.615 . 0 0 "[ . 1 . 2]" 1
814 1 70 ARG H 1 80 ARG QD . . 3.560 3.589 3.569 3.638 0.078 6 0 "[ . 1 . 2]" 1
815 1 70 ARG HA 1 70 ARG HB2 . . 2.830 2.500 2.425 2.516 . 0 0 "[ . 1 . 2]" 1
816 1 70 ARG HA 1 70 ARG HB3 . . 3.020 3.021 3.020 3.023 0.003 6 0 "[ . 1 . 2]" 1
817 1 70 ARG HA 1 70 ARG QG . . 2.820 2.321 2.298 2.449 . 0 0 "[ . 1 . 2]" 1
818 1 70 ARG HA 1 71 ASP H . . 3.520 3.525 3.519 3.531 0.011 5 0 "[ . 1 . 2]" 1
819 1 70 ARG HA 1 73 GLY H . . 3.730 3.323 3.222 3.541 . 0 0 "[ . 1 . 2]" 1
820 1 70 ARG HA 1 74 ILE H . . 3.860 3.998 3.959 4.033 0.173 9 0 "[ . 1 . 2]" 1
821 1 70 ARG HB2 1 71 ASP H . . 3.760 3.855 3.823 3.951 0.191 9 0 "[ . 1 . 2]" 1
822 1 70 ARG HB3 1 70 ARG HD2 . . 3.360 3.179 2.745 3.323 . 0 0 "[ . 1 . 2]" 1
823 1 70 ARG HB3 1 70 ARG QD . . 2.850 2.857 2.580 2.912 0.062 3 0 "[ . 1 . 2]" 1
824 1 70 ARG HB3 1 70 ARG HD3 . . 3.360 3.243 3.136 3.298 . 0 0 "[ . 1 . 2]" 1
825 1 70 ARG HB3 1 71 ASP H . . 2.770 2.658 2.618 2.691 . 0 0 "[ . 1 . 2]" 1
826 1 70 ARG QD 1 71 ASP H . . 5.340 5.080 4.794 5.128 . 0 0 "[ . 1 . 2]" 1
827 1 70 ARG QG 1 71 ASP H . . 3.760 3.820 3.571 3.865 0.105 3 0 "[ . 1 . 2]" 1
828 1 70 ARG HG2 1 71 ASP H . . 4.420 4.150 3.735 4.240 . 0 0 "[ . 1 . 2]" 1
829 1 70 ARG HG3 1 71 ASP H . . 4.420 4.474 4.451 4.543 0.123 9 0 "[ . 1 . 2]" 1
830 1 71 ASP H 1 71 ASP HB2 . . 2.800 2.515 2.315 2.781 . 0 0 "[ . 1 . 2]" 1
831 1 71 ASP H 1 71 ASP HB3 . . 2.800 2.566 2.313 2.770 . 0 0 "[ . 1 . 2]" 1
832 1 71 ASP H 1 72 ILE H . . 4.040 2.625 2.583 2.669 . 0 0 "[ . 1 . 2]" 1
833 1 71 ASP H 1 72 ILE MD . . 6.520 5.283 5.185 5.446 . 0 0 "[ . 1 . 2]" 1
834 1 71 ASP H 1 72 ILE MG . . 6.520 4.257 4.102 4.397 . 0 0 "[ . 1 . 2]" 1
835 1 71 ASP QB 1 72 ILE MG . . 5.400 3.209 3.023 3.441 . 0 0 "[ . 1 . 2]" 1
836 1 71 ASP HB2 1 72 ILE H . . 4.230 3.921 3.764 4.117 . 0 0 "[ . 1 . 2]" 1
837 1 71 ASP HB3 1 72 ILE H . . 4.230 2.761 2.660 2.869 . 0 0 "[ . 1 . 2]" 1
838 1 72 ILE H 1 72 ILE HB . . 3.730 3.630 3.623 3.652 . 0 0 "[ . 1 . 2]" 1
839 1 72 ILE H 1 72 ILE MD . . 5.840 3.686 3.616 3.772 . 0 0 "[ . 1 . 2]" 1
840 1 72 ILE H 1 72 ILE HG12 . . 4.110 2.043 1.949 2.157 . 0 0 "[ . 1 . 2]" 1
841 1 72 ILE H 1 72 ILE QG . . 3.480 2.007 1.924 2.094 . 0 0 "[ . 1 . 2]" 1
842 1 72 ILE H 1 72 ILE HG13 . . 4.110 2.967 2.813 3.049 . 0 0 "[ . 1 . 2]" 1
843 1 72 ILE H 1 73 GLY H . . 2.900 2.450 2.408 2.564 . 0 0 "[ . 1 . 2]" 1
844 1 72 ILE H 1 74 ILE H . . 4.170 4.174 3.898 4.218 0.048 3 0 "[ . 1 . 2]" 1
845 1 72 ILE HA 1 72 ILE MG . . 3.420 2.264 2.203 2.364 . 0 0 "[ . 1 . 2]" 1
846 1 72 ILE HB 1 72 ILE MD . . 3.420 2.383 2.292 2.436 . 0 0 "[ . 1 . 2]" 1
847 1 72 ILE HB 1 72 ILE HG12 . . 2.900 3.022 3.009 3.026 0.126 4 0 "[ . 1 . 2]" 1
848 1 72 ILE HB 1 72 ILE HG13 . . 2.900 2.518 2.483 2.584 . 0 0 "[ . 1 . 2]" 1
849 1 72 ILE MD 1 74 ILE H . . 6.520 3.142 2.924 3.392 . 0 0 "[ . 1 . 2]" 1
850 1 72 ILE QG 1 73 GLY QA . . 4.530 3.388 3.292 3.734 . 0 0 "[ . 1 . 2]" 1
851 1 72 ILE QG 1 74 ILE H . . 5.030 1.905 1.883 1.921 . 0 0 "[ . 1 . 2]" 1
852 1 72 ILE QG 1 74 ILE HG12 . . 5.340 4.157 3.744 4.313 . 0 0 "[ . 1 . 2]" 1
853 1 72 ILE QG 1 74 ILE HG13 . . 4.850 2.529 2.083 2.706 . 0 0 "[ . 1 . 2]" 1
854 1 72 ILE HG12 1 73 GLY H . . 5.500 3.064 2.837 3.794 . 0 0 "[ . 1 . 2]" 1
855 1 72 ILE HG13 1 73 GLY H . . 5.500 2.519 2.324 3.335 . 0 0 "[ . 1 . 2]" 1
856 1 72 ILE MG 1 73 GLY H . . 6.520 4.052 3.984 4.230 . 0 0 "[ . 1 . 2]" 1
857 1 73 GLY H 1 73 GLY HA2 . . 2.930 2.582 2.408 2.635 . 0 0 "[ . 1 . 2]" 1
858 1 73 GLY H 1 73 GLY HA3 . . 2.930 2.938 2.924 2.956 0.026 7 0 "[ . 1 . 2]" 1
859 1 73 GLY H 1 74 ILE H . . 2.990 2.566 2.422 2.965 . 0 0 "[ . 1 . 2]" 1
860 1 73 GLY QA 1 74 ILE H . . 2.970 2.721 2.694 2.735 . 0 0 "[ . 1 . 2]" 1
861 1 74 ILE H 1 74 ILE HA . . 2.770 2.801 2.783 2.818 0.048 3 0 "[ . 1 . 2]" 1
862 1 74 ILE H 1 74 ILE HB . . 2.770 2.628 2.615 2.647 . 0 0 "[ . 1 . 2]" 1
863 1 74 ILE H 1 74 ILE MD . . 3.950 3.513 3.446 3.572 . 0 0 "[ . 1 . 2]" 1
864 1 74 ILE H 1 74 ILE HG12 . . 3.920 3.190 3.096 3.272 . 0 0 "[ . 1 . 2]" 1
865 1 74 ILE H 1 74 ILE HG13 . . 3.270 1.936 1.925 1.946 . 0 0 "[ . 1 . 2]" 1
866 1 74 ILE H 1 74 ILE MG . . 3.880 3.763 3.761 3.764 . 0 0 "[ . 1 . 2]" 1
867 1 74 ILE HA 1 74 ILE HB . . 3.020 3.019 3.018 3.021 0.001 6 0 "[ . 1 . 2]" 1
868 1 74 ILE HA 1 74 ILE MD . . 4.260 3.853 3.823 3.870 . 0 0 "[ . 1 . 2]" 1
869 1 74 ILE HA 1 74 ILE HG12 . . 3.080 2.587 2.540 2.617 . 0 0 "[ . 1 . 2]" 1
870 1 74 ILE HA 1 74 ILE HG13 . . 3.240 3.084 3.017 3.149 . 0 0 "[ . 1 . 2]" 1
871 1 74 ILE HA 1 76 ASP H . . 3.730 3.243 3.168 3.524 . 0 0 "[ . 1 . 2]" 1
872 1 74 ILE HB 1 74 ILE HG13 . . 2.650 2.476 2.445 2.505 . 0 0 "[ . 1 . 2]" 1
873 1 74 ILE HB 1 80 ARG HA . . 5.280 4.269 4.109 4.397 . 0 0 "[ . 1 . 2]" 1
874 1 74 ILE HB 1 80 ARG QD . . 5.230 4.814 4.732 4.926 . 0 0 "[ . 1 . 2]" 1
875 1 74 ILE HB 1 80 ARG QG . . 3.380 3.423 3.396 3.462 0.082 2 0 "[ . 1 . 2]" 1
876 1 74 ILE HG13 1 74 ILE MG . . 3.510 3.188 3.184 3.204 . 0 0 "[ . 1 . 2]" 1
877 1 74 ILE MG 1 76 ASP H . . 3.980 2.665 2.344 3.426 . 0 0 "[ . 1 . 2]" 1
878 1 74 ILE MG 1 79 HIS H . . 4.780 3.954 3.875 4.152 . 0 0 "[ . 1 . 2]" 1
879 1 74 ILE MG 1 79 HIS HA . . 4.720 3.626 3.554 3.751 . 0 0 "[ . 1 . 2]" 1
880 1 74 ILE MG 1 79 HIS HB2 . . 4.600 2.225 2.051 2.609 . 0 0 "[ . 1 . 2]" 1
881 1 74 ILE MG 1 79 HIS HB3 . . 4.940 1.945 1.882 2.286 . 0 0 "[ . 1 . 2]" 1
882 1 74 ILE MG 1 80 ARG H . . 5.120 3.278 2.848 3.393 . 0 0 "[ . 1 . 2]" 1
883 1 74 ILE MG 1 80 ARG HA . . 4.780 2.406 2.049 2.608 . 0 0 "[ . 1 . 2]" 1
884 1 74 ILE MG 1 80 ARG HB2 . . 5.650 3.653 3.350 3.737 . 0 0 "[ . 1 . 2]" 1
885 1 74 ILE MG 1 80 ARG QD . . 5.590 3.988 3.730 4.094 . 0 0 "[ . 1 . 2]" 1
886 1 74 ILE MG 1 80 ARG QG . . 4.240 2.280 2.152 2.401 . 0 0 "[ . 1 . 2]" 1
887 1 74 ILE MG 1 83 LEU H . . 5.900 4.473 4.214 4.629 . 0 0 "[ . 1 . 2]" 1
888 1 75 SER HA 1 80 ARG QD . . 3.530 3.486 2.698 3.581 0.051 7 0 "[ . 1 . 2]" 1
889 1 75 SER QB 1 76 ASP H . . 5.980 3.782 3.383 3.994 . 0 0 "[ . 1 . 2]" 1
890 1 76 ASP H 1 76 ASP HB2 . . 3.050 2.157 2.104 2.276 . 0 0 "[ . 1 . 2]" 1
891 1 76 ASP H 1 76 ASP HB3 . . 3.390 3.397 3.379 3.427 0.037 9 0 "[ . 1 . 2]" 1
892 1 76 ASP H 1 79 HIS HB2 . . 4.260 2.996 2.844 3.252 . 0 0 "[ . 1 . 2]" 1
893 1 76 ASP HA 1 76 ASP HB2 . . 2.830 2.929 2.919 2.935 0.105 7 0 "[ . 1 . 2]" 1
894 1 76 ASP HA 1 76 ASP HB3 . . 2.710 2.756 2.748 2.771 0.061 16 0 "[ . 1 . 2]" 1
895 1 76 ASP HA 1 77 PRO HD2 . . 2.740 2.354 2.347 2.367 . 0 0 "[ . 1 . 2]" 1
896 1 76 ASP HA 1 77 PRO HD3 . . 2.590 2.281 2.278 2.286 . 0 0 "[ . 1 . 2]" 1
897 1 76 ASP HA 1 78 GLN H . . 4.350 4.425 4.414 4.435 0.085 10 0 "[ . 1 . 2]" 1
898 1 76 ASP HB2 1 79 HIS H . . 3.580 3.644 3.609 3.667 0.087 16 0 "[ . 1 . 2]" 1
899 1 76 ASP HB2 1 79 HIS HB2 . . 3.760 2.332 2.218 2.531 . 0 0 "[ . 1 . 2]" 1
900 1 76 ASP HB2 1 79 HIS HB3 . . 4.320 3.727 3.643 3.827 . 0 0 "[ . 1 . 2]" 1
901 1 76 ASP HB2 1 80 ARG H . . 5.160 4.672 4.333 4.778 . 0 0 "[ . 1 . 2]" 1
902 1 76 ASP HB3 1 79 HIS H . . 3.830 2.584 2.560 2.611 . 0 0 "[ . 1 . 2]" 1
903 1 76 ASP HB3 1 79 HIS HB2 . . 4.480 2.736 2.676 2.862 . 0 0 "[ . 1 . 2]" 1
904 1 76 ASP HB3 1 79 HIS HB3 . . 4.260 4.309 4.270 4.342 0.082 16 0 "[ . 1 . 2]" 1
905 1 76 ASP HB3 1 80 ARG H . . 5.410 4.138 4.008 4.205 . 0 0 "[ . 1 . 2]" 1
906 1 77 PRO HA 1 79 HIS H . . 3.790 3.833 3.813 3.853 0.063 16 0 "[ . 1 . 2]" 1
907 1 77 PRO HA 1 80 ARG H . . 3.700 3.404 3.368 3.698 . 0 0 "[ . 1 . 2]" 1
908 1 77 PRO HA 1 80 ARG HB2 . . 3.610 2.797 2.706 3.276 . 0 0 "[ . 1 . 2]" 1
909 1 77 PRO HA 1 80 ARG HB3 . . 3.950 4.019 4.000 4.056 0.106 16 0 "[ . 1 . 2]" 1
910 1 77 PRO HA 1 80 ARG QD . . 5.030 4.858 4.029 5.068 0.038 2 0 "[ . 1 . 2]" 1
911 1 77 PRO HA 1 80 ARG QG . . 5.340 4.508 4.281 5.194 . 0 0 "[ . 1 . 2]" 1
912 1 77 PRO HA 1 81 ARG H . . 4.110 3.820 3.671 4.108 . 0 0 "[ . 1 . 2]" 1
913 1 77 PRO HD2 1 78 GLN H . . 3.020 2.719 2.711 2.726 . 0 0 "[ . 1 . 2]" 1
914 1 77 PRO HD3 1 78 GLN QG . . 5.340 4.998 4.722 5.225 . 0 0 "[ . 1 . 2]" 1
915 1 77 PRO HG2 1 78 GLN H . . 3.050 1.992 1.975 2.011 . 0 0 "[ . 1 . 2]" 1
916 1 78 GLN H 1 78 GLN QB . . 3.350 2.548 2.411 2.657 . 0 0 "[ . 1 . 2]" 1
917 1 78 GLN H 1 78 GLN HG2 . . 5.250 2.579 2.051 3.627 . 0 0 "[ . 1 . 2]" 1
918 1 78 GLN H 1 78 GLN QG . . 4.540 2.195 2.039 2.368 . 0 0 "[ . 1 . 2]" 1
919 1 78 GLN H 1 78 GLN HG3 . . 5.250 2.860 2.119 3.776 . 0 0 "[ . 1 . 2]" 1
920 1 78 GLN H 1 79 HIS H . . 3.020 2.546 2.530 2.563 . 0 0 "[ . 1 . 2]" 1
921 1 78 GLN HA 1 78 GLN QB . . 2.610 2.266 2.177 2.379 . 0 0 "[ . 1 . 2]" 1
922 1 78 GLN HA 1 81 ARG H . . 3.890 3.908 3.832 3.931 0.041 1 0 "[ . 1 . 2]" 1
923 1 78 GLN HA 1 81 ARG QB . . 3.500 3.396 3.132 3.513 0.013 15 0 "[ . 1 . 2]" 1
924 1 78 GLN QB 1 79 HIS HD2 . . 4.420 2.887 2.565 3.228 . 0 0 "[ . 1 . 2]" 1
925 1 78 GLN HB2 1 78 GLN HE22 . . 5.500 4.613 3.278 5.337 . 0 0 "[ . 1 . 2]" 1
926 1 78 GLN HB3 1 78 GLN HE22 . . 5.500 4.268 3.296 4.800 . 0 0 "[ . 1 . 2]" 1
927 1 78 GLN QG 1 79 HIS HD2 . . 5.340 3.426 2.015 4.815 . 0 0 "[ . 1 . 2]" 1
928 1 79 HIS H 1 79 HIS HA . . 2.830 2.937 2.927 2.941 0.111 7 0 "[ . 1 . 2]" 1
929 1 79 HIS H 1 79 HIS HB2 . . 3.420 2.481 2.440 2.525 . 0 0 "[ . 1 . 2]" 1
930 1 79 HIS H 1 79 HIS HB3 . . 3.700 3.676 3.654 3.691 . 0 0 "[ . 1 . 2]" 1
931 1 79 HIS H 1 79 HIS HD2 . . 3.170 3.203 3.188 3.233 0.063 1 0 "[ . 1 . 2]" 1
932 1 79 HIS H 1 80 ARG H . . 3.170 2.075 2.034 2.339 . 0 0 "[ . 1 . 2]" 1
933 1 79 HIS HA 1 79 HIS HB3 . . 2.590 2.498 2.467 2.515 . 0 0 "[ . 1 . 2]" 1
934 1 79 HIS HA 1 79 HIS HD2 . . 2.770 2.541 2.507 2.557 . 0 0 "[ . 1 . 2]" 1
935 1 79 HIS HA 1 82 LYS H . . 3.830 3.704 3.464 3.778 . 0 0 "[ . 1 . 2]" 1
936 1 79 HIS HA 1 82 LYS HB2 . . 3.300 3.360 3.346 3.388 0.088 7 0 "[ . 1 . 2]" 1
937 1 79 HIS HA 1 82 LYS HB3 . . 3.170 3.207 3.195 3.230 0.060 1 0 "[ . 1 . 2]" 1
938 1 79 HIS HB2 1 80 ARG H . . 3.730 3.003 2.386 3.190 . 0 0 "[ . 1 . 2]" 1
939 1 79 HIS HB3 1 79 HIS HD2 . . 3.610 3.736 3.688 3.750 0.140 12 0 "[ . 1 . 2]" 1
940 1 79 HIS HB3 1 80 ARG H . . 4.110 3.914 3.441 4.053 . 0 0 "[ . 1 . 2]" 1
941 1 79 HIS HD2 1 82 LYS HB2 . . 4.970 4.610 4.574 4.681 . 0 0 "[ . 1 . 2]" 1
942 1 79 HIS HD2 1 82 LYS HB3 . . 5.310 5.021 4.956 5.107 . 0 0 "[ . 1 . 2]" 1
943 1 79 HIS HD2 1 82 LYS QD . . 6.100 4.319 4.018 6.132 0.032 1 0 "[ . 1 . 2]" 1
944 1 80 ARG H 1 80 ARG HA . . 2.860 2.890 2.802 2.908 0.048 4 0 "[ . 1 . 2]" 1
945 1 80 ARG H 1 80 ARG HB2 . . 2.740 2.141 2.063 2.166 . 0 0 "[ . 1 . 2]" 1
946 1 80 ARG H 1 80 ARG HB3 . . 3.240 3.371 3.290 3.382 0.142 9 0 "[ . 1 . 2]" 1
947 1 80 ARG H 1 80 ARG HG2 . . 4.110 4.182 4.116 4.312 0.202 16 0 "[ . 1 . 2]" 1
948 1 80 ARG H 1 80 ARG QG . . 3.600 3.323 3.234 3.365 . 0 0 "[ . 1 . 2]" 1
949 1 80 ARG H 1 80 ARG HG3 . . 4.110 3.490 3.357 3.561 . 0 0 "[ . 1 . 2]" 1
950 1 80 ARG H 1 81 ARG H . . 3.110 2.401 2.336 2.645 . 0 0 "[ . 1 . 2]" 1
951 1 80 ARG H 1 84 LEU MD2 . . 5.900 5.987 5.956 6.028 0.128 19 0 "[ . 1 . 2]" 1
952 1 80 ARG HA 1 80 ARG QG . . 3.720 2.153 2.102 2.225 . 0 0 "[ . 1 . 2]" 1
953 1 80 ARG HA 1 83 LEU H . . 3.980 3.714 3.639 3.889 . 0 0 "[ . 1 . 2]" 1
954 1 80 ARG HA 1 83 LEU HB2 . . 3.700 3.515 3.354 3.703 0.003 14 0 "[ . 1 . 2]" 1
955 1 80 ARG HA 1 83 LEU QB . . 3.100 3.174 3.124 3.229 0.129 18 0 "[ . 1 . 2]" 1
956 1 80 ARG HA 1 83 LEU HB3 . . 3.700 3.644 3.420 3.746 0.046 12 0 "[ . 1 . 2]" 1
957 1 80 ARG HA 1 83 LEU QD . . 6.420 4.240 3.779 4.735 . 0 0 "[ . 1 . 2]" 1
958 1 80 ARG HA 1 84 LEU MD1 . . 5.250 3.905 3.721 4.023 . 0 0 "[ . 1 . 2]" 1
959 1 80 ARG HA 1 84 LEU MD2 . . 6.360 4.447 4.362 4.508 . 0 0 "[ . 1 . 2]" 1
960 1 80 ARG HB2 1 80 ARG QD . . 3.520 3.048 2.588 3.218 . 0 0 "[ . 1 . 2]" 1
961 1 80 ARG HB2 1 81 ARG H . . 3.580 2.982 2.918 3.412 . 0 0 "[ . 1 . 2]" 1
962 1 80 ARG HB3 1 80 ARG QD . . 3.280 2.427 2.157 3.000 . 0 0 "[ . 1 . 2]" 1
963 1 80 ARG HB3 1 81 ARG H . . 3.920 3.102 3.043 3.320 . 0 0 "[ . 1 . 2]" 1
964 1 80 ARG QG 1 81 ARG H . . 5.340 4.419 4.391 4.556 . 0 0 "[ . 1 . 2]" 1
965 1 81 ARG H 1 81 ARG QB . . 2.910 2.123 2.058 2.262 . 0 0 "[ . 1 . 2]" 1
966 1 81 ARG H 1 82 LYS H . . 3.300 2.511 2.434 2.553 . 0 0 "[ . 1 . 2]" 1
967 1 81 ARG H 1 83 LEU H . . 5.000 4.183 3.844 4.300 . 0 0 "[ . 1 . 2]" 1
968 1 81 ARG H 1 84 LEU MD1 . . 5.560 5.475 5.322 5.567 0.007 9 0 "[ . 1 . 2]" 1
969 1 81 ARG H 1 84 LEU MD2 . . 6.020 4.827 4.748 4.892 . 0 0 "[ . 1 . 2]" 1
970 1 81 ARG HA 1 81 ARG QB . . 2.600 2.507 2.428 2.539 . 0 0 "[ . 1 . 2]" 1
971 1 81 ARG HA 1 81 ARG HD2 . . 3.640 3.052 2.064 3.627 . 0 0 "[ . 1 . 2]" 1
972 1 81 ARG HA 1 81 ARG QD . . 3.070 2.589 2.014 3.008 . 0 0 "[ . 1 . 2]" 1
973 1 81 ARG HA 1 81 ARG HD3 . . 3.640 2.996 2.494 3.624 . 0 0 "[ . 1 . 2]" 1
974 1 81 ARG HA 1 81 ARG HG2 . . 3.640 2.867 2.169 3.657 0.017 15 0 "[ . 1 . 2]" 1
975 1 81 ARG HA 1 81 ARG QG . . 3.190 2.314 2.123 2.715 . 0 0 "[ . 1 . 2]" 1
976 1 81 ARG HA 1 81 ARG HG3 . . 3.640 3.049 2.141 3.581 . 0 0 "[ . 1 . 2]" 1
977 1 81 ARG HA 1 84 LEU H . . 3.700 3.465 3.325 3.567 . 0 0 "[ . 1 . 2]" 1
978 1 81 ARG HA 1 84 LEU QB . . 2.550 2.548 2.485 2.586 0.036 1 0 "[ . 1 . 2]" 1
979 1 81 ARG HA 1 84 LEU MD1 . . 4.970 4.388 4.292 4.461 . 0 0 "[ . 1 . 2]" 1
980 1 81 ARG QB 1 81 ARG QD . . 3.040 2.100 1.962 2.302 . 0 0 "[ . 1 . 2]" 1
981 1 81 ARG HB2 1 81 ARG HD2 . . 4.010 3.298 2.771 3.570 . 0 0 "[ . 1 . 2]" 1
982 1 81 ARG HB2 1 81 ARG HD3 . . 4.010 3.172 2.005 4.009 . 0 0 "[ . 1 . 2]" 1
983 1 81 ARG HB3 1 81 ARG HD2 . . 4.010 2.932 2.013 4.006 . 0 0 "[ . 1 . 2]" 1
984 1 81 ARG HB3 1 81 ARG HD3 . . 4.010 3.284 2.968 3.612 . 0 0 "[ . 1 . 2]" 1
985 1 82 LYS H 1 82 LYS HA . . 2.860 2.836 2.798 2.858 . 0 0 "[ . 1 . 2]" 1
986 1 82 LYS H 1 82 LYS HB2 . . 2.930 2.228 2.193 2.260 . 0 0 "[ . 1 . 2]" 1
987 1 82 LYS H 1 82 LYS HB3 . . 3.050 2.885 2.832 2.927 . 0 0 "[ . 1 . 2]" 1
988 1 82 LYS H 1 82 LYS HG2 . . 5.500 4.618 4.186 4.670 . 0 0 "[ . 1 . 2]" 1
989 1 82 LYS H 1 82 LYS QG . . 4.700 3.909 3.851 3.966 . 0 0 "[ . 1 . 2]" 1
990 1 82 LYS H 1 82 LYS HG3 . . 5.500 4.227 4.163 4.499 . 0 0 "[ . 1 . 2]" 1
991 1 82 LYS H 1 83 LEU H . . 2.990 2.630 2.569 2.713 . 0 0 "[ . 1 . 2]" 1
992 1 82 LYS HA 1 82 LYS HB2 . . 2.650 2.657 2.627 2.676 0.026 7 0 "[ . 1 . 2]" 1
993 1 82 LYS HA 1 85 GLN H . . 3.450 3.369 3.282 3.452 0.002 20 0 "[ . 1 . 2]" 1
994 1 82 LYS HA 1 85 GLN HB2 . . 3.210 3.225 3.214 3.233 0.023 13 0 "[ . 1 . 2]" 1
995 1 82 LYS HA 1 85 GLN HB3 . . 3.210 3.190 2.984 3.233 0.023 10 0 "[ . 1 . 2]" 1
996 1 82 LYS HA 1 86 ALA H . . 4.140 3.963 3.769 4.144 0.004 3 0 "[ . 1 . 2]" 1
997 1 82 LYS HB2 1 83 LEU H . . 3.580 3.521 3.456 3.596 0.016 16 0 "[ . 1 . 2]" 1
998 1 82 LYS HB3 1 82 LYS QD . . 3.720 2.706 2.168 2.950 . 0 0 "[ . 1 . 2]" 1
999 1 82 LYS QG 1 83 LEU H . . 5.340 4.083 3.932 4.373 . 0 0 "[ . 1 . 2]" 1
1000 1 83 LEU H 1 83 LEU HA . . 2.830 2.836 2.802 2.872 0.042 7 0 "[ . 1 . 2]" 1
1001 1 83 LEU H 1 83 LEU HB2 . . 3.700 2.146 2.073 2.257 . 0 0 "[ . 1 . 2]" 1
1002 1 83 LEU H 1 83 LEU QB . . 3.000 2.097 2.043 2.169 . 0 0 "[ . 1 . 2]" 1
1003 1 83 LEU H 1 83 LEU HB3 . . 3.700 2.982 2.809 3.111 . 0 0 "[ . 1 . 2]" 1
1004 1 83 LEU H 1 83 LEU MD1 . . 4.720 3.869 3.134 4.306 . 0 0 "[ . 1 . 2]" 1
1005 1 83 LEU H 1 83 LEU QD . . 3.900 3.321 3.052 3.609 . 0 0 "[ . 1 . 2]" 1
1006 1 83 LEU H 1 83 LEU MD2 . . 4.720 3.915 3.183 4.414 . 0 0 "[ . 1 . 2]" 1
1007 1 83 LEU H 1 83 LEU HG . . 5.440 4.424 4.341 4.489 . 0 0 "[ . 1 . 2]" 1
1008 1 83 LEU H 1 84 LEU H . . 2.930 2.546 2.429 2.655 . 0 0 "[ . 1 . 2]" 1
1009 1 83 LEU HA 1 83 LEU MD1 . . 3.820 2.596 2.269 2.944 . 0 0 "[ . 1 . 2]" 1
1010 1 83 LEU HA 1 83 LEU QD . . 3.300 2.374 1.953 2.820 . 0 0 "[ . 1 . 2]" 1
1011 1 83 LEU HA 1 83 LEU MD2 . . 3.820 3.070 2.077 3.802 . 0 0 "[ . 1 . 2]" 1
1012 1 83 LEU HA 1 86 ALA H . . 3.730 3.646 3.450 3.743 0.013 7 0 "[ . 1 . 2]" 1
1013 1 83 LEU HA 1 86 ALA MB . . 3.670 3.197 2.986 3.378 . 0 0 "[ . 1 . 2]" 1
1014 1 83 LEU QD 1 86 ALA MB . . 5.880 3.844 3.126 4.433 . 0 0 "[ . 1 . 2]" 1
1015 1 83 LEU MD1 1 86 ALA H . . 6.520 5.370 4.559 6.064 . 0 0 "[ . 1 . 2]" 1
1016 1 83 LEU MD2 1 86 ALA H . . 6.520 5.798 4.912 6.528 0.008 17 0 "[ . 1 . 2]" 1
1017 1 84 LEU H 1 84 LEU HA . . 2.930 2.892 2.848 2.924 . 0 0 "[ . 1 . 2]" 1
1018 1 84 LEU H 1 84 LEU HB2 . . 3.300 2.120 2.070 2.190 . 0 0 "[ . 1 . 2]" 1
1019 1 84 LEU H 1 84 LEU QB . . 2.720 2.097 2.051 2.162 . 0 0 "[ . 1 . 2]" 1
1020 1 84 LEU H 1 84 LEU HB3 . . 3.300 3.321 3.293 3.344 0.044 16 0 "[ . 1 . 2]" 1
1021 1 84 LEU H 1 84 LEU MD1 . . 4.660 2.877 2.620 3.074 . 0 0 "[ . 1 . 2]" 1
1022 1 84 LEU H 1 84 LEU MD2 . . 4.350 3.903 3.806 3.981 . 0 0 "[ . 1 . 2]" 1
1023 1 84 LEU H 1 85 GLN H . . 2.830 2.328 2.162 2.509 . 0 0 "[ . 1 . 2]" 1
1024 1 84 LEU H 1 85 GLN QB . . 5.030 4.092 3.935 4.266 . 0 0 "[ . 1 . 2]" 1
1025 1 84 LEU HA 1 84 LEU MD1 . . 4.780 2.039 1.935 2.149 . 0 0 "[ . 1 . 2]" 1
1026 1 84 LEU HA 1 84 LEU MD2 . . 4.380 3.775 3.768 3.779 . 0 0 "[ . 1 . 2]" 1
1027 1 84 LEU HA 1 84 LEU HG . . 3.610 2.706 2.687 2.724 . 0 0 "[ . 1 . 2]" 1
1028 1 84 LEU HA 1 87 ALA H . . 4.200 3.553 3.506 3.586 . 0 0 "[ . 1 . 2]" 1
1029 1 84 LEU HA 1 87 ALA MB . . 4.570 2.521 2.438 2.628 . 0 0 "[ . 1 . 2]" 1
1030 1 84 LEU HA 1 88 ARG QB . . 4.490 4.482 4.260 4.501 0.011 5 0 "[ . 1 . 2]" 1
1031 1 84 LEU HA 1 88 ARG QG . . 6.010 5.413 4.710 5.803 . 0 0 "[ . 1 . 2]" 1
1032 1 84 LEU QB 1 85 GLN H . . 3.130 2.928 2.818 3.036 . 0 0 "[ . 1 . 2]" 1
1033 1 84 LEU QB 1 88 ARG QD . . 3.510 3.489 3.392 3.513 0.003 13 0 "[ . 1 . 2]" 1
1034 1 84 LEU HB2 1 85 GLN H . . 3.580 3.247 3.127 3.355 . 0 0 "[ . 1 . 2]" 1
1035 1 84 LEU HB3 1 85 GLN H . . 3.580 3.330 3.202 3.468 . 0 0 "[ . 1 . 2]" 1
1036 1 84 LEU MD1 1 85 GLN H . . 6.520 4.421 4.368 4.481 . 0 0 "[ . 1 . 2]" 1
1037 1 84 LEU MD1 1 87 ALA H . . 6.520 4.941 4.846 5.003 . 0 0 "[ . 1 . 2]" 1
1038 1 84 LEU MD1 1 87 ALA MB . . 7.290 3.397 3.264 3.562 . 0 0 "[ . 1 . 2]" 1
1039 1 84 LEU MD1 1 88 ARG QD . . 7.400 4.459 3.988 5.364 . 0 0 "[ . 1 . 2]" 1
1040 1 84 LEU MD2 1 85 GLN H . . 6.460 4.920 4.810 5.020 . 0 0 "[ . 1 . 2]" 1
1041 1 84 LEU MD2 1 87 ALA H . . 6.520 6.548 6.528 6.567 0.047 9 0 "[ . 1 . 2]" 1
1042 1 84 LEU MD2 1 87 ALA MB . . 6.730 5.258 5.189 5.351 . 0 0 "[ . 1 . 2]" 1
1043 1 84 LEU MD2 1 88 ARG QD . . 7.400 4.419 4.143 4.889 . 0 0 "[ . 1 . 2]" 1
1044 1 85 GLN H 1 85 GLN HB2 . . 3.050 2.336 2.259 2.426 . 0 0 "[ . 1 . 2]" 1
1045 1 85 GLN H 1 85 GLN QB . . 2.610 2.229 2.186 2.278 . 0 0 "[ . 1 . 2]" 1
1046 1 85 GLN H 1 85 GLN HB3 . . 3.050 2.824 2.751 2.909 . 0 0 "[ . 1 . 2]" 1
1047 1 85 GLN H 1 85 GLN HG2 . . 5.500 4.534 4.248 4.692 . 0 0 "[ . 1 . 2]" 1
1048 1 85 GLN H 1 85 GLN HG3 . . 5.500 4.381 4.230 4.548 . 0 0 "[ . 1 . 2]" 1
1049 1 85 GLN H 1 86 ALA H . . 3.420 2.446 2.346 2.573 . 0 0 "[ . 1 . 2]" 1
1050 1 85 GLN HA 1 85 GLN QB . . 2.610 2.473 2.451 2.495 . 0 0 "[ . 1 . 2]" 1
1051 1 85 GLN HA 1 85 GLN HG2 . . 3.700 2.905 2.106 3.651 . 0 0 "[ . 1 . 2]" 1
1052 1 85 GLN HA 1 85 GLN QG . . 3.150 2.222 2.082 2.419 . 0 0 "[ . 1 . 2]" 1
1053 1 85 GLN HA 1 85 GLN HG3 . . 3.700 2.647 2.125 3.570 . 0 0 "[ . 1 . 2]" 1
1054 1 85 GLN HA 1 87 ALA H . . 3.980 3.999 3.994 4.005 0.025 19 0 "[ . 1 . 2]" 1
1055 1 85 GLN HA 1 88 ARG H . . 4.260 3.599 3.502 3.712 . 0 0 "[ . 1 . 2]" 1
1056 1 85 GLN HA 1 88 ARG QB . . 4.090 3.369 3.094 3.986 . 0 0 "[ . 1 . 2]" 1
1057 1 85 GLN HA 1 88 ARG QD . . 5.610 3.666 2.111 4.251 . 0 0 "[ . 1 . 2]" 1
1058 1 85 GLN HA 1 89 SER H . . 4.230 4.215 4.098 4.249 0.019 20 0 "[ . 1 . 2]" 1
1059 1 85 GLN QB 1 86 ALA H . . 3.200 2.572 2.411 2.687 . 0 0 "[ . 1 . 2]" 1
1060 1 85 GLN HB2 1 86 ALA H . . 3.730 3.596 3.508 3.703 . 0 0 "[ . 1 . 2]" 1
1061 1 85 GLN HB3 1 86 ALA H . . 3.730 2.635 2.456 2.774 . 0 0 "[ . 1 . 2]" 1
1062 1 86 ALA H 1 86 ALA HA . . 2.740 2.866 2.843 2.886 0.146 19 0 "[ . 1 . 2]" 1
1063 1 86 ALA H 1 86 ALA MB . . 3.420 2.180 2.133 2.213 . 0 0 "[ . 1 . 2]" 1
1064 1 86 ALA H 1 87 ALA H . . 3.110 2.458 2.386 2.536 . 0 0 "[ . 1 . 2]" 1
1065 1 86 ALA H 1 87 ALA MB . . 4.660 4.129 4.048 4.215 . 0 0 "[ . 1 . 2]" 1
1066 1 86 ALA HA 1 89 SER H . . 3.670 3.583 3.421 3.677 0.007 12 0 "[ . 1 . 2]" 1
1067 1 86 ALA HA 1 89 SER QB . . 4.270 2.846 2.373 3.540 . 0 0 "[ . 1 . 2]" 1
1068 1 86 ALA HA 1 90 LEU QD . . 6.210 4.315 4.165 5.048 . 0 0 "[ . 1 . 2]" 1
1069 1 86 ALA MB 1 87 ALA H . . 3.730 3.016 2.985 3.048 . 0 0 "[ . 1 . 2]" 1
1070 1 86 ALA MB 1 89 SER QB . . 6.410 4.192 3.839 4.855 . 0 0 "[ . 1 . 2]" 1
1071 1 86 ALA MB 1 90 LEU QD . . 6.450 3.785 3.614 4.175 . 0 0 "[ . 1 . 2]" 1
1072 1 87 ALA H 1 88 ARG H . . 3.210 2.388 2.292 2.489 . 0 0 "[ . 1 . 2]" 1
1073 1 87 ALA HA 1 90 LEU H . . 4.260 3.969 3.847 4.262 0.002 12 0 "[ . 1 . 2]" 1
1074 1 87 ALA HA 1 90 LEU HB2 . . 4.790 3.771 3.327 4.692 . 0 0 "[ . 1 . 2]" 1
1075 1 87 ALA HA 1 90 LEU HB3 . . 5.440 5.246 4.916 5.444 0.004 10 0 "[ . 1 . 2]" 1
1076 1 87 ALA HA 1 90 LEU MD1 . . 4.810 1.993 1.897 2.499 . 0 0 "[ . 1 . 2]" 1
1077 1 87 ALA HA 1 90 LEU QD . . 3.610 1.988 1.895 2.438 . 0 0 "[ . 1 . 2]" 1
1078 1 87 ALA HA 1 90 LEU MD2 . . 4.810 4.324 3.387 4.704 . 0 0 "[ . 1 . 2]" 1
1079 1 87 ALA MB 1 88 ARG H . . 3.880 2.565 2.414 2.789 . 0 0 "[ . 1 . 2]" 1
1080 1 87 ALA MB 1 88 ARG HA . . 5.620 3.850 3.815 3.949 . 0 0 "[ . 1 . 2]" 1
1081 1 87 ALA MB 1 89 SER H . . 6.240 4.275 4.166 4.362 . 0 0 "[ . 1 . 2]" 1
1082 1 87 ALA MB 1 90 LEU MD1 . . 7.130 3.269 3.122 3.500 . 0 0 "[ . 1 . 2]" 1
1083 1 87 ALA MB 1 90 LEU QD . . 5.630 3.226 3.050 3.429 . 0 0 "[ . 1 . 2]" 1
1084 1 87 ALA MB 1 90 LEU MD2 . . 7.130 4.994 4.262 5.430 . 0 0 "[ . 1 . 2]" 1
1085 1 88 ARG H 1 88 ARG QB . . 3.310 2.172 2.054 2.480 . 0 0 "[ . 1 . 2]" 1
1086 1 88 ARG H 1 89 SER H . . 3.300 2.448 2.240 2.532 . 0 0 "[ . 1 . 2]" 1
1087 1 88 ARG QB 1 89 SER H . . 4.360 3.205 2.991 3.646 . 0 0 "[ . 1 . 2]" 1
1088 1 89 SER H 1 90 LEU H . . 3.050 2.565 2.415 3.025 . 0 0 "[ . 1 . 2]" 1
1089 1 89 SER H 1 90 LEU QD . . 6.420 3.739 3.335 4.427 . 0 0 "[ . 1 . 2]" 1
1090 1 89 SER HA 1 90 LEU H . . 3.300 3.306 2.651 3.354 0.054 19 0 "[ . 1 . 2]" 1
1091 1 89 SER QB 1 90 LEU H . . 4.860 3.472 3.226 3.908 . 0 0 "[ . 1 . 2]" 1
1092 1 90 LEU H 1 90 LEU HB3 . . 3.730 3.473 3.442 3.518 . 0 0 "[ . 1 . 2]" 1
1093 1 90 LEU HA 1 90 LEU HB2 . . 2.930 2.963 2.946 2.979 0.049 12 0 "[ . 1 . 2]" 1
1094 1 90 LEU HA 1 90 LEU HB3 . . 2.650 2.669 2.633 2.703 0.053 11 0 "[ . 1 . 2]" 1
1095 1 90 LEU HA 1 90 LEU MD1 . . 4.410 3.391 2.833 3.715 . 0 0 "[ . 1 . 2]" 1
1096 1 90 LEU HA 1 90 LEU QD . . 3.330 2.924 2.743 2.972 . 0 0 "[ . 1 . 2]" 1
1097 1 90 LEU HA 1 90 LEU MD2 . . 4.410 3.248 2.836 3.663 . 0 0 "[ . 1 . 2]" 1
1098 1 90 LEU HA 1 91 PRO HD2 . . 2.930 2.509 2.498 2.521 . 0 0 "[ . 1 . 2]" 1
1099 1 90 LEU HA 1 91 PRO HD3 . . 2.900 2.349 2.342 2.355 . 0 0 "[ . 1 . 2]" 1
1100 1 90 LEU HB2 1 91 PRO HD2 . . 3.790 3.600 3.590 3.619 . 0 0 "[ . 1 . 2]" 1
1101 1 90 LEU HB2 1 91 PRO HD3 . . 4.820 4.679 4.673 4.689 . 0 0 "[ . 1 . 2]" 1
1102 1 90 LEU HB3 1 90 LEU MD1 . . 3.570 3.003 2.822 3.159 . 0 0 "[ . 1 . 2]" 1
1103 1 90 LEU HB3 1 90 LEU MD2 . . 3.570 2.027 1.951 2.232 . 0 0 "[ . 1 . 2]" 1
1104 1 90 LEU HB3 1 91 PRO HD2 . . 3.480 2.035 1.990 2.092 . 0 0 "[ . 1 . 2]" 1
1105 1 90 LEU HB3 1 91 PRO HD3 . . 4.320 3.468 3.432 3.515 . 0 0 "[ . 1 . 2]" 1
1106 1 90 LEU QD 1 91 PRO HD2 . . 3.910 2.177 1.949 2.618 . 0 0 "[ . 1 . 2]" 1
1107 1 90 LEU QD 1 91 PRO HD3 . . 4.020 3.333 3.006 3.775 . 0 0 "[ . 1 . 2]" 1
1108 1 90 LEU QD 1 91 PRO QG . . 6.110 3.321 3.165 3.655 . 0 0 "[ . 1 . 2]" 1
1109 1 90 LEU MD1 1 91 PRO QG . . 7.030 5.314 5.206 5.370 . 0 0 "[ . 1 . 2]" 1
1110 1 90 LEU MD2 1 91 PRO QG . . 7.030 3.356 3.191 3.732 . 0 0 "[ . 1 . 2]" 1
1111 1 91 PRO QB 1 92 LYS H . . 3.570 2.668 2.055 3.594 0.024 11 0 "[ . 1 . 2]" 1
1112 1 92 LYS H 1 92 LYS HD2 . . 3.790 3.061 2.138 3.777 . 0 0 "[ . 1 . 2]" 1
1113 1 92 LYS H 1 92 LYS QD . . 3.180 2.555 2.061 3.178 . 0 0 "[ . 1 . 2]" 1
1114 1 92 LYS H 1 92 LYS HD3 . . 3.790 3.060 2.168 3.894 0.104 11 0 "[ . 1 . 2]" 1
1115 1 92 LYS H 1 92 LYS HG2 . . 4.880 3.145 1.952 4.531 . 0 0 "[ . 1 . 2]" 1
1116 1 92 LYS H 1 92 LYS QG . . 4.240 2.525 1.831 3.559 . 0 0 "[ . 1 . 2]" 1
1117 1 92 LYS H 1 92 LYS HG3 . . 4.880 3.338 1.839 4.265 . 0 0 "[ . 1 . 2]" 1
1118 1 92 LYS H 1 93 VAL QG . . 6.420 5.044 3.867 5.696 . 0 0 "[ . 1 . 2]" 1
1119 1 92 LYS HA 1 92 LYS QG . . 3.720 2.996 2.156 3.423 . 0 0 "[ . 1 . 2]" 1
1120 1 92 LYS HA 1 93 VAL H . . 2.800 2.440 2.146 2.834 0.034 20 0 "[ . 1 . 2]" 1
1121 1 93 VAL H 1 93 VAL HB . . 3.080 2.799 2.485 3.082 0.002 13 0 "[ . 1 . 2]" 1
1122 1 93 VAL H 1 93 VAL MG1 . . 4.380 2.093 1.935 2.304 . 0 0 "[ . 1 . 2]" 1
1123 1 93 VAL H 1 93 VAL QG . . 3.800 2.083 1.930 2.284 . 0 0 "[ . 1 . 2]" 1
1124 1 93 VAL H 1 93 VAL MG2 . . 4.380 3.833 3.756 3.928 . 0 0 "[ . 1 . 2]" 1
1125 1 93 VAL HA 1 93 VAL HB . . 2.740 2.474 2.440 2.499 . 0 0 "[ . 1 . 2]" 1
1126 1 93 VAL HA 1 94 LYS H . . 2.800 2.234 2.180 2.296 . 0 0 "[ . 1 . 2]" 1
1127 1 93 VAL HB 1 94 LYS H . . 4.480 4.041 3.970 4.150 . 0 0 "[ . 1 . 2]" 1
1128 1 93 VAL QG 1 94 LYS H . . 6.420 2.147 1.899 2.417 . 0 0 "[ . 1 . 2]" 1
1129 1 93 VAL QG 1 95 ALA MB . . 6.480 3.104 1.872 5.588 . 0 0 "[ . 1 . 2]" 1
1130 1 93 VAL QG 1 96 LEU H . . 4.980 4.590 4.073 4.986 0.006 13 0 "[ . 1 . 2]" 1
1131 1 94 LYS H 1 95 ALA MB . . 5.810 4.732 3.589 5.809 . 0 0 "[ . 1 . 2]" 1
1132 1 94 LYS HA 1 94 LYS QD . . 5.030 3.715 2.011 4.305 . 0 0 "[ . 1 . 2]" 1
1133 1 94 LYS HA 1 95 ALA MB . . 5.060 4.376 3.925 5.020 . 0 0 "[ . 1 . 2]" 1
1134 1 94 LYS QB 1 94 LYS QE . . 3.730 3.264 2.293 3.691 . 0 0 "[ . 1 . 2]" 1
1135 1 94 LYS HB2 1 94 LYS HE2 . . 5.440 4.438 3.276 5.077 . 0 0 "[ . 1 . 2]" 1
1136 1 94 LYS HB2 1 94 LYS HE3 . . 5.440 4.209 3.150 4.913 . 0 0 "[ . 1 . 2]" 1
1137 1 94 LYS HB3 1 94 LYS HE2 . . 5.440 4.297 2.863 5.299 . 0 0 "[ . 1 . 2]" 1
1138 1 94 LYS HB3 1 94 LYS HE3 . . 5.440 4.049 2.407 5.040 . 0 0 "[ . 1 . 2]" 1
1139 1 95 ALA HA 1 96 LEU H . . 3.360 2.489 2.147 3.386 0.026 13 0 "[ . 1 . 2]" 1
1140 1 95 ALA MB 1 96 LEU H . . 5.150 2.881 2.036 3.715 . 0 0 "[ . 1 . 2]" 1
1141 1 95 ALA MB 1 96 LEU QD . . 7.390 4.009 2.288 5.203 . 0 0 "[ . 1 . 2]" 1
1142 1 96 LEU HA 1 96 LEU MD1 . . 4.130 3.311 2.076 3.911 . 0 0 "[ . 1 . 2]" 1
1143 1 96 LEU HA 1 96 LEU MD2 . . 4.130 3.344 2.033 4.038 . 0 0 "[ . 1 . 2]" 1
1144 1 96 LEU HA 1 96 LEU HG . . 3.480 2.693 2.137 3.613 0.133 11 0 "[ . 1 . 2]" 1
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