NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
631613 |
6e25   |
30491 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6e25
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 1506
_Distance_constraint_stats_list.Viol_count 428
_Distance_constraint_stats_list.Viol_total 646.493
_Distance_constraint_stats_list.Viol_max 0.463
_Distance_constraint_stats_list.Viol_rms 0.0119
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0755
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 TYR 0.247 0.144 2 0 "[ . 1 . 2]"
1 5 GLU 0.247 0.144 2 0 "[ . 1 . 2]"
1 6 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ASP 0.401 0.149 2 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 CYS 0.433 0.153 19 0 "[ . 1 . 2]"
1 11 TRP 0.884 0.153 19 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.463 0.463 20 0 "[ . 1 . 2]"
1 14 LEU 0.463 0.463 20 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PHE 0.048 0.048 16 0 "[ . 1 . 2]"
1 18 ARG 0.246 0.093 19 0 "[ . 1 . 2]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 THR 0.048 0.048 16 0 "[ . 1 . 2]"
1 21 LEU 0.719 0.087 10 0 "[ . 1 . 2]"
1 22 THR 1.976 0.213 9 0 "[ . 1 . 2]"
1 23 SER 0.430 0.203 8 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ILE 0.019 0.013 5 0 "[ . 1 . 2]"
1 26 ASP 0.207 0.090 14 0 "[ . 1 . 2]"
1 27 PRO 0.464 0.080 2 0 "[ . 1 . 2]"
1 28 SER 0.810 0.130 18 0 "[ . 1 . 2]"
1 29 ARG 1.683 0.305 20 0 "[ . 1 . 2]"
1 30 ILE 6.107 0.327 8 0 "[ . 1 . 2]"
1 31 THR 1.314 0.161 1 0 "[ . 1 . 2]"
1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 TYR 4.432 0.327 8 0 "[ . 1 . 2]"
1 34 LEU 0.487 0.073 12 0 "[ . 1 . 2]"
1 35 ARG 0.365 0.084 13 0 "[ . 1 . 2]"
1 36 GLN 0.915 0.172 1 0 "[ . 1 . 2]"
1 37 CYS 1.531 0.175 16 0 "[ . 1 . 2]"
1 38 LYS 0.750 0.175 16 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 3.052 0.353 15 0 "[ . 1 . 2]"
1 41 ASN 0.059 0.059 17 0 "[ . 1 . 2]"
1 42 PRO 0.428 0.238 13 0 "[ . 1 . 2]"
1 43 ASP 0.098 0.098 13 0 "[ . 1 . 2]"
1 44 ASP 3.000 0.353 15 0 "[ . 1 . 2]"
1 45 GLU 0.658 0.143 13 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLN 0.648 0.083 18 0 "[ . 1 . 2]"
1 48 VAL 0.157 0.054 7 0 "[ . 1 . 2]"
1 49 LEU 4.574 0.291 20 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 1.331 0.288 19 0 "[ . 1 . 2]"
1 52 PRO 0.367 0.121 12 0 "[ . 1 . 2]"
1 53 ASN 1.301 0.164 4 0 "[ . 1 . 2]"
1 54 LEU 2.404 0.188 14 0 "[ . 1 . 2]"
1 55 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ILE 1.319 0.288 19 0 "[ . 1 . 2]"
1 57 ARG 0.017 0.017 6 0 "[ . 1 . 2]"
1 58 LYS 0.996 0.203 8 0 "[ . 1 . 2]"
1 59 ARG 0.490 0.180 7 0 "[ . 1 . 2]"
1 60 LYS 2.223 0.291 20 0 "[ . 1 . 2]"
1 61 VAL 0.559 0.090 14 0 "[ . 1 . 2]"
1 62 GLY 0.397 0.180 7 0 "[ . 1 . 2]"
1 63 VAL 1.888 0.213 9 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 0.310 0.068 20 0 "[ . 1 . 2]"
1 66 ASP 0.066 0.066 12 0 "[ . 1 . 2]"
1 67 ILE 0.676 0.331 14 0 "[ . 1 . 2]"
1 68 LEU 0.091 0.044 13 0 "[ . 1 . 2]"
1 69 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 THR 0.527 0.126 12 0 "[ . 1 . 2]"
1 72 GLY 0.505 0.149 2 0 "[ . 1 . 2]"
1 73 HIS 0.341 0.229 16 0 "[ . 1 . 2]"
1 74 LYS 1.761 0.273 18 0 "[ . 1 . 2]"
1 75 GLY 0.263 0.083 18 0 "[ . 1 . 2]"
1 76 TYR 0.060 0.060 8 0 "[ . 1 . 2]"
1 77 VAL 1.235 0.273 18 0 "[ . 1 . 2]"
1 78 ALA 0.059 0.059 13 0 "[ . 1 . 2]"
1 79 PHE 0.115 0.069 13 0 "[ . 1 . 2]"
1 80 LEU 0.162 0.069 13 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 SER 0.435 0.067 17 0 "[ . 1 . 2]"
1 83 LEU 0.691 0.125 15 0 "[ . 1 . 2]"
1 84 GLU 0.360 0.125 15 0 "[ . 1 . 2]"
1 85 LEU 0.542 0.070 19 0 "[ . 1 . 2]"
1 86 TYR 0.173 0.088 13 0 "[ . 1 . 2]"
1 87 TYR 0.552 0.095 6 0 "[ . 1 . 2]"
1 88 PRO 0.110 0.050 1 0 "[ . 1 . 2]"
1 89 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LEU 0.044 0.017 17 0 "[ . 1 . 2]"
1 91 TYR 1.006 0.124 15 0 "[ . 1 . 2]"
1 92 LYS 0.288 0.164 19 0 "[ . 1 . 2]"
1 93 LYS 0.024 0.024 13 0 "[ . 1 . 2]"
1 94 VAL 1.476 0.149 19 0 "[ . 1 . 2]"
1 95 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLY 0.185 0.149 19 0 "[ . 1 . 2]"
1 97 LYS 0.288 0.164 19 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 8 ASP H 1 8 ASP QB 3.718 . 3.718 2.459 2.063 2.581 . 0 0 "[ . 1 . 2]" 1
2 1 91 TYR H 1 91 TYR QD 4.840 . 4.840 4.259 4.231 4.294 . 0 0 "[ . 1 . 2]" 1
3 1 33 TYR QE 1 82 SER H 4.466 . 4.466 2.804 2.596 3.130 . 0 0 "[ . 1 . 2]" 1
4 1 86 TYR H 1 87 TYR H 3.355 . 3.355 2.423 2.238 2.529 . 0 0 "[ . 1 . 2]" 1
5 1 35 ARG H 1 36 GLN H 3.630 . 3.630 2.802 2.667 2.931 . 0 0 "[ . 1 . 2]" 1
6 1 34 LEU H 1 35 ARG H 3.663 . 3.663 2.601 2.464 2.692 . 0 0 "[ . 1 . 2]" 1
7 1 89 GLN H 1 90 LEU H 4.191 . 4.191 2.712 2.570 2.859 . 0 0 "[ . 1 . 2]" 1
8 1 74 LYS H 1 75 GLY H 3.850 . 3.850 2.814 2.605 3.002 . 0 0 "[ . 1 . 2]" 1
9 1 79 PHE H 1 80 LEU H 3.718 . 3.718 2.781 2.681 2.907 . 0 0 "[ . 1 . 2]" 1
10 1 20 THR H 1 21 LEU H 4.081 . 4.081 2.587 2.409 2.795 . 0 0 "[ . 1 . 2]" 1
11 1 79 PHE H 1 81 GLU H 4.917 . 4.917 4.088 3.937 4.275 . 0 0 "[ . 1 . 2]" 1
12 1 22 THR H 1 23 SER H 3.641 . 3.641 2.664 2.570 2.805 . 0 0 "[ . 1 . 2]" 1
13 1 67 ILE H 1 68 LEU H 3.674 . 3.674 2.667 2.449 2.875 . 0 0 "[ . 1 . 2]" 1
14 1 61 VAL H 1 62 GLY H 3.773 . 3.773 2.633 2.460 2.906 . 0 0 "[ . 1 . 2]" 1
15 1 80 LEU H 1 81 GLU H 3.564 . 3.564 2.722 2.662 2.768 . 0 0 "[ . 1 . 2]" 1
16 1 61 VAL H 1 63 VAL H 5.082 . 5.082 4.235 3.964 4.550 . 0 0 "[ . 1 . 2]" 1
17 1 63 VAL H 1 65 LEU H 5.423 . 5.423 4.324 4.074 4.507 . 0 0 "[ . 1 . 2]" 1
18 1 65 LEU H 1 66 ASP H 3.718 . 3.718 2.743 2.596 2.869 . 0 0 "[ . 1 . 2]" 1
19 1 64 LEU H 1 65 LEU H 3.773 . 3.773 2.847 2.742 2.995 . 0 0 "[ . 1 . 2]" 1
20 1 91 TYR H 1 92 LYS H 3.740 . 3.740 2.959 2.874 3.143 . 0 0 "[ . 1 . 2]" 1
21 1 82 SER H 1 83 LEU H 3.740 . 3.740 2.736 2.617 2.883 . 0 0 "[ . 1 . 2]" 1
22 1 81 GLU H 1 84 GLU H 6.050 . 6.050 4.721 4.469 4.954 . 0 0 "[ . 1 . 2]" 1
23 1 82 SER H 1 84 GLU H 6.050 . 6.050 4.398 3.957 4.732 . 0 0 "[ . 1 . 2]" 1
24 1 84 GLU H 1 91 TYR H 6.050 . 6.050 5.649 5.417 5.894 . 0 0 "[ . 1 . 2]" 1
25 1 12 SER H 1 13 VAL H 4.521 . 4.521 2.630 2.444 2.935 . 0 0 "[ . 1 . 2]" 1
26 1 66 ASP H 1 67 ILE H 3.740 . 3.740 2.709 2.521 2.819 . 0 0 "[ . 1 . 2]" 1
27 1 28 SER H 1 29 ARG H 3.850 . 3.850 2.557 2.396 2.704 . 0 0 "[ . 1 . 2]" 1
28 1 77 VAL H 1 78 ALA H 3.894 . 3.894 2.773 2.709 2.873 . 0 0 "[ . 1 . 2]" 1
29 1 53 ASN H 1 54 LEU H 4.433 . 4.433 2.184 2.013 2.524 . 0 0 "[ . 1 . 2]" 1
30 1 36 GLN H 1 37 CYS H 3.542 . 3.542 2.722 2.569 2.930 . 0 0 "[ . 1 . 2]" 1
31 1 16 GLY H 1 18 ARG H 4.972 . 4.972 4.141 3.974 4.367 . 0 0 "[ . 1 . 2]" 1
32 1 54 LEU H 1 55 VAL H 4.301 . 4.301 2.740 2.610 2.887 . 0 0 "[ . 1 . 2]" 1
33 1 36 GLN H 1 38 LYS H 4.631 . 4.631 3.948 3.764 4.241 . 0 0 "[ . 1 . 2]" 1
34 1 59 ARG H 1 60 LYS H 3.982 . 3.982 2.477 2.259 2.746 . 0 0 "[ . 1 . 2]" 1
35 1 14 LEU H 1 15 GLU H 3.894 . 3.894 2.636 2.323 2.793 . 0 0 "[ . 1 . 2]" 1
36 1 60 LYS H 1 61 VAL H 3.905 . 3.905 2.858 2.660 3.053 . 0 0 "[ . 1 . 2]" 1
37 1 83 LEU H 1 84 GLU H 3.575 . 3.575 2.848 2.619 3.034 . 0 0 "[ . 1 . 2]" 1
38 1 84 GLU H 1 85 LEU H 3.784 . 3.784 2.784 2.622 2.869 . 0 0 "[ . 1 . 2]" 1
39 1 17 PHE H 1 18 ARG H 3.454 . 3.454 2.404 2.240 2.578 . 0 0 "[ . 1 . 2]" 1
40 1 34 LEU H 1 36 GLN H 4.994 . 4.994 4.269 3.891 4.580 . 0 0 "[ . 1 . 2]" 1
41 1 33 TYR H 1 34 LEU H 3.498 . 3.498 2.672 2.580 2.790 . 0 0 "[ . 1 . 2]" 1
42 1 38 LYS H 1 40 LEU H 5.060 . 5.060 4.044 3.855 4.376 . 0 0 "[ . 1 . 2]" 1
43 1 37 CYS H 1 38 LYS H 3.476 . 3.476 2.557 2.402 2.667 . 0 0 "[ . 1 . 2]" 1
44 1 63 VAL H 1 64 LEU H 3.575 . 3.575 2.631 2.524 2.780 . 0 0 "[ . 1 . 2]" 1
45 1 46 GLU H 1 47 GLN H 3.564 . 3.564 2.746 2.612 2.864 . 0 0 "[ . 1 . 2]" 1
46 1 92 LYS H 1 93 LYS H 3.663 . 3.663 2.715 2.645 2.865 . 0 0 "[ . 1 . 2]" 1
47 1 48 VAL H 1 49 LEU H 3.531 . 3.531 2.740 2.538 2.894 . 0 0 "[ . 1 . 2]" 1
48 1 49 LEU H 1 50 SER H 3.740 . 3.740 2.690 2.548 2.823 . 0 0 "[ . 1 . 2]" 1
49 1 94 VAL H 1 95 THR H 3.509 . 3.509 2.707 2.560 2.870 . 0 0 "[ . 1 . 2]" 1
50 1 41 ASN H 1 44 ASP H 5.005 . 5.005 3.908 3.721 4.264 . 0 0 "[ . 1 . 2]" 1
51 1 62 GLY H 1 63 VAL H 3.421 . 3.421 2.785 2.668 2.927 . 0 0 "[ . 1 . 2]" 1
52 1 68 LEU H 1 69 GLN H 3.773 . 3.773 2.648 2.526 2.858 . 0 0 "[ . 1 . 2]" 1
53 1 43 ASP H 1 44 ASP H 3.685 . 3.685 2.677 2.550 2.762 . 0 0 "[ . 1 . 2]" 1
54 1 11 TRP HE1 1 69 GLN H 6.050 . 6.050 5.080 4.020 5.746 . 0 0 "[ . 1 . 2]" 1
55 1 90 LEU H 1 91 TYR H 3.410 . 3.410 2.623 2.351 2.804 . 0 0 "[ . 1 . 2]" 1
56 1 75 GLY H 1 76 TYR H 3.740 . 3.740 2.682 2.515 2.786 . 0 0 "[ . 1 . 2]" 1
57 1 76 TYR H 1 77 VAL H 3.795 . 3.795 2.703 2.568 2.861 . 0 0 "[ . 1 . 2]" 1
58 1 70 ARG H 1 71 THR H 3.586 . 3.586 2.752 2.649 2.874 . 0 0 "[ . 1 . 2]" 1
59 1 71 THR H 1 72 GLY H 3.476 . 3.476 2.442 2.323 2.592 . 0 0 "[ . 1 . 2]" 1
60 1 78 ALA H 1 79 PHE H 3.674 . 3.674 2.745 2.675 2.829 . 0 0 "[ . 1 . 2]" 1
61 1 47 GLN H 1 48 VAL H 3.256 . 3.256 2.778 2.610 2.931 . 0 0 "[ . 1 . 2]" 1
62 1 55 VAL H 1 56 ILE H 3.762 . 3.762 2.470 2.181 2.670 . 0 0 "[ . 1 . 2]" 1
63 1 94 VAL H 1 96 GLY H 4.499 . 4.499 3.924 3.666 4.314 . 0 0 "[ . 1 . 2]" 1
64 1 13 VAL H 1 14 LEU H 3.729 . 3.729 2.644 2.301 2.877 . 0 0 "[ . 1 . 2]" 1
65 1 23 SER H 1 24 VAL H 3.267 . 3.267 2.488 2.332 2.626 . 0 0 "[ . 1 . 2]" 1
66 1 24 VAL H 1 25 ILE H 3.377 . 3.377 2.486 2.340 2.649 . 0 0 "[ . 1 . 2]" 1
67 1 39 VAL H 1 40 LEU H 3.179 . 3.179 2.259 1.894 2.487 . 0 0 "[ . 1 . 2]" 1
68 1 38 LYS H 1 39 VAL H 3.729 . 3.729 2.783 2.679 2.877 . 0 0 "[ . 1 . 2]" 1
69 1 17 PHE H 1 17 PHE QD 4.312 . 4.312 2.903 2.627 3.199 . 0 0 "[ . 1 . 2]" 1
70 1 58 LYS H 1 59 ARG H 4.444 . 4.444 2.765 2.577 2.943 . 0 0 "[ . 1 . 2]" 1
71 1 93 LYS H 1 94 VAL H 3.498 . 3.498 2.631 2.322 2.778 . 0 0 "[ . 1 . 2]" 1
72 1 69 GLN H 1 70 ARG H 4.070 . 4.070 2.869 2.712 3.137 . 0 0 "[ . 1 . 2]" 1
73 1 95 THR H 1 96 GLY H 3.432 . 3.432 2.408 1.982 2.576 . 0 0 "[ . 1 . 2]" 1
74 1 86 TYR H 1 86 TYR QD 3.993 . 3.993 2.489 2.292 2.928 . 0 0 "[ . 1 . 2]" 1
75 1 4 TYR H 1 4 TYR QD 4.642 . 4.642 3.132 1.819 4.518 . 0 0 "[ . 1 . 2]" 1
76 1 85 LEU H 1 86 TYR H 3.586 . 3.586 2.639 2.547 2.741 . 0 0 "[ . 1 . 2]" 1
77 1 87 TYR H 1 87 TYR QD 4.224 . 4.224 3.191 2.716 3.559 . 0 0 "[ . 1 . 2]" 1
78 1 33 TYR H 1 33 TYR QD 4.741 . 4.741 4.228 4.191 4.263 . 0 0 "[ . 1 . 2]" 1
79 1 33 TYR QD 1 34 LEU H 4.675 . 4.675 3.739 3.418 4.041 . 0 0 "[ . 1 . 2]" 1
80 1 33 TYR QD 1 82 SER H 5.500 . 5.500 4.435 3.957 4.976 . 0 0 "[ . 1 . 2]" 1
81 1 79 PHE QD 1 80 LEU H 4.653 . 4.653 3.473 3.187 3.758 . 0 0 "[ . 1 . 2]" 1
82 1 29 ARG H 1 30 ILE H 3.487 . 3.487 2.627 2.345 2.807 . 0 0 "[ . 1 . 2]" 1
83 1 79 PHE H 1 79 PHE QD 4.829 . 4.829 4.218 4.189 4.254 . 0 0 "[ . 1 . 2]" 1
84 1 30 ILE H 1 31 THR H 3.311 . 3.311 2.558 2.291 2.701 . 0 0 "[ . 1 . 2]" 1
85 1 11 TRP HZ2 1 76 TYR H 4.785 . 4.785 2.758 2.324 3.605 . 0 0 "[ . 1 . 2]" 1
86 1 84 GLU H 1 91 TYR QD 4.246 . 4.246 3.201 2.667 3.643 . 0 0 "[ . 1 . 2]" 1
87 1 91 TYR QD 1 92 LYS H 4.422 . 4.422 3.305 2.840 3.693 . 0 0 "[ . 1 . 2]" 1
88 1 26 ASP H 1 87 TYR QE 4.499 . 4.499 2.470 1.621 3.114 . 0 0 "[ . 1 . 2]" 1
89 1 76 TYR QD 1 77 VAL H 4.510 . 4.510 3.732 3.367 3.940 . 0 0 "[ . 1 . 2]" 1
90 1 71 THR H 1 71 THR HG1 4.059 . 4.059 2.528 2.277 2.801 . 0 0 "[ . 1 . 2]" 1
91 1 40 LEU HA 1 41 ASN H 3.146 . 3.146 2.198 2.143 2.267 . 0 0 "[ . 1 . 2]" 1
92 1 71 THR HB 1 74 LYS H 5.291 . 5.291 4.303 3.407 5.016 . 0 0 "[ . 1 . 2]" 1
93 1 71 THR HB 1 72 GLY H 4.642 . 4.642 4.384 4.055 4.534 . 0 0 "[ . 1 . 2]" 1
94 1 71 THR H 1 71 THR HB 4.312 . 4.312 3.738 3.665 3.786 . 0 0 "[ . 1 . 2]" 1
95 1 73 HIS HA 1 76 TYR H 4.499 . 4.499 3.308 2.994 3.670 . 0 0 "[ . 1 . 2]" 1
96 1 71 THR HB 1 75 GLY H 3.707 . 3.707 3.359 2.451 3.790 0.083 18 0 "[ . 1 . 2]" 1
97 1 78 ALA HA 1 81 GLU H 4.279 . 4.279 3.497 3.246 3.775 . 0 0 "[ . 1 . 2]" 1
98 1 44 ASP HA 1 47 GLN H 4.378 . 4.378 3.407 3.073 3.852 . 0 0 "[ . 1 . 2]" 1
99 1 35 ARG HA 1 40 LEU H 3.894 . 3.894 3.306 2.725 3.847 . 0 0 "[ . 1 . 2]" 1
100 1 43 ASP HA 1 46 GLU H 4.202 . 4.202 3.679 3.140 4.132 . 0 0 "[ . 1 . 2]" 1
101 1 35 ARG HA 1 38 LYS H 4.356 . 4.356 3.456 2.930 3.900 . 0 0 "[ . 1 . 2]" 1
102 1 54 LEU HA 1 55 VAL H 3.718 . 3.718 2.851 2.520 3.140 . 0 0 "[ . 1 . 2]" 1
103 1 79 PHE HA 1 82 SER H 4.488 . 4.488 3.633 3.396 3.904 . 0 0 "[ . 1 . 2]" 1
104 1 12 SER HA 1 15 GLU H 4.686 . 4.686 3.266 2.901 3.797 . 0 0 "[ . 1 . 2]" 1
105 1 49 LEU HA 1 50 SER H 3.817 . 3.817 3.246 3.064 3.386 . 0 0 "[ . 1 . 2]" 1
106 1 20 THR H 1 20 THR HB 3.806 . 3.806 2.575 2.490 2.691 . 0 0 "[ . 1 . 2]" 1
107 1 20 THR HB 1 21 LEU H 3.718 . 3.718 2.533 2.367 2.729 . 0 0 "[ . 1 . 2]" 1
108 1 31 THR H 1 31 THR HB 3.861 . 3.861 3.710 3.672 3.747 . 0 0 "[ . 1 . 2]" 1
109 1 59 ARG HA 1 62 GLY H 4.433 . 4.433 3.744 3.421 4.163 . 0 0 "[ . 1 . 2]" 1
110 1 32 PRO HA 1 35 ARG H 4.323 . 4.323 3.500 3.261 3.790 . 0 0 "[ . 1 . 2]" 1
111 1 15 GLU HA 1 18 ARG H 4.631 . 4.631 3.237 2.939 3.830 . 0 0 "[ . 1 . 2]" 1
112 1 89 GLN HA 1 92 LYS H 5.159 . 5.159 3.805 3.462 4.389 . 0 0 "[ . 1 . 2]" 1
113 1 11 TRP HA 1 14 LEU H 4.818 . 4.818 3.213 2.941 3.463 . 0 0 "[ . 1 . 2]" 1
114 1 70 ARG HA 1 72 GLY H 4.807 . 4.807 3.696 3.465 4.233 . 0 0 "[ . 1 . 2]" 1
115 1 88 PRO HA 1 91 TYR H 4.235 . 4.235 3.565 2.932 3.983 . 0 0 "[ . 1 . 2]" 1
116 1 90 LEU HA 1 93 LYS H 3.971 . 3.971 3.499 3.205 3.838 . 0 0 "[ . 1 . 2]" 1
117 1 90 LEU HA 1 94 VAL H 5.049 . 5.049 4.267 4.109 4.420 . 0 0 "[ . 1 . 2]" 1
118 1 83 LEU HA 1 87 TYR H 3.784 . 3.784 2.849 2.511 3.154 . 0 0 "[ . 1 . 2]" 1
119 1 74 LYS HA 1 77 VAL H 4.653 . 4.653 3.502 2.992 3.771 . 0 0 "[ . 1 . 2]" 1
120 1 83 LEU HA 1 86 TYR H 4.565 . 4.565 3.841 3.639 4.053 . 0 0 "[ . 1 . 2]" 1
121 1 60 LYS HA 1 63 VAL H 4.202 . 4.202 3.486 2.886 3.983 . 0 0 "[ . 1 . 2]" 1
122 1 31 THR H 1 32 PRO HD3 3.652 . 3.652 3.438 3.302 3.555 . 0 0 "[ . 1 . 2]" 1
123 1 38 LYS HA 1 40 LEU H 4.367 . 4.367 3.608 3.081 4.277 . 0 0 "[ . 1 . 2]" 1
124 1 38 LYS H 1 38 LYS HA 3.003 . 3.003 2.246 2.239 2.258 . 0 0 "[ . 1 . 2]" 1
125 1 31 THR HA 1 35 ARG H 4.741 . 4.741 4.099 3.888 4.239 . 0 0 "[ . 1 . 2]" 1
126 1 66 ASP HA 1 69 GLN H 4.323 . 4.323 3.641 3.199 4.092 . 0 0 "[ . 1 . 2]" 1
127 1 31 THR HA 1 34 LEU H 4.631 . 4.631 3.475 3.337 3.601 . 0 0 "[ . 1 . 2]" 1
128 1 20 THR HA 1 23 SER H 4.092 . 4.092 3.760 3.384 4.044 . 0 0 "[ . 1 . 2]" 1
129 1 27 PRO HA 1 30 ILE H 4.609 . 4.609 3.570 3.197 4.083 . 0 0 "[ . 1 . 2]" 1
130 1 62 GLY HA3 1 63 VAL H 3.905 . 3.905 2.760 2.630 2.859 . 0 0 "[ . 1 . 2]" 1
131 1 68 LEU HA 1 71 THR H 4.565 . 4.565 3.601 3.257 3.871 . 0 0 "[ . 1 . 2]" 1
132 1 95 THR H 1 95 THR HB 4.279 . 4.279 3.102 2.692 3.710 . 0 0 "[ . 1 . 2]" 1
133 1 28 SER QB 1 29 ARG H 4.092 . 4.092 3.167 2.631 3.650 . 0 0 "[ . 1 . 2]" 1
134 1 22 THR HA 1 61 VAL H 6.050 . 6.050 4.196 3.784 4.602 . 0 0 "[ . 1 . 2]" 1
135 1 82 SER H 1 82 SER HB2 4.147 . 4.147 3.121 2.543 3.682 . 0 0 "[ . 1 . 2]" 1
136 1 28 SER H 1 28 SER QB 3.674 . 3.674 2.506 2.280 2.726 . 0 0 "[ . 1 . 2]" 1
137 1 96 GLY QA 1 97 LYS H 3.685 . 3.685 2.673 2.229 2.969 . 0 0 "[ . 1 . 2]" 1
138 1 21 LEU HA 1 24 VAL H 5.071 . 5.071 3.738 3.541 3.939 . 0 0 "[ . 1 . 2]" 1
139 1 21 LEU HA 1 25 ILE H 4.664 . 4.664 3.530 3.374 3.847 . 0 0 "[ . 1 . 2]" 1
140 1 64 LEU HA 1 67 ILE H 4.543 . 4.543 3.393 3.177 3.651 . 0 0 "[ . 1 . 2]" 1
141 1 57 ARG HA 1 60 LYS H 4.631 . 4.631 3.202 2.774 3.820 . 0 0 "[ . 1 . 2]" 1
142 1 57 ARG HA 1 61 VAL H 4.917 . 4.917 3.716 3.194 4.321 . 0 0 "[ . 1 . 2]" 1
143 1 81 GLU HA 1 84 GLU H 4.301 . 4.301 3.457 3.030 3.822 . 0 0 "[ . 1 . 2]" 1
144 1 42 PRO QD 1 43 ASP H 4.279 . 4.279 3.019 2.549 3.416 . 0 0 "[ . 1 . 2]" 1
145 1 18 ARG HA 1 21 LEU H 4.356 . 4.356 3.392 3.027 3.654 . 0 0 "[ . 1 . 2]" 1
146 1 18 ARG HA 1 22 THR H 4.774 . 4.774 3.745 3.153 4.115 . 0 0 "[ . 1 . 2]" 1
147 1 63 VAL HA 1 66 ASP H 4.202 . 4.202 3.623 3.339 3.857 . 0 0 "[ . 1 . 2]" 1
148 1 82 SER HB3 1 83 LEU H 5.060 . 5.060 3.417 2.455 4.098 . 0 0 "[ . 1 . 2]" 1
149 1 82 SER H 1 82 SER HB3 4.147 . 4.147 2.672 2.488 3.643 . 0 0 "[ . 1 . 2]" 1
150 1 45 GLU HA 1 48 VAL H 4.444 . 4.444 3.552 3.231 3.819 . 0 0 "[ . 1 . 2]" 1
151 1 92 LYS HA 1 97 LYS H 4.466 . 4.466 3.327 2.619 4.590 0.124 19 0 "[ . 1 . 2]" 1
152 1 92 LYS HA 1 96 GLY H 4.818 . 4.818 3.728 2.456 4.347 . 0 0 "[ . 1 . 2]" 1
153 1 92 LYS HA 1 95 THR H 4.653 . 4.653 3.879 3.468 4.379 . 0 0 "[ . 1 . 2]" 1
154 1 65 LEU HA 1 68 LEU H 4.323 . 4.323 3.509 3.099 3.813 . 0 0 "[ . 1 . 2]" 1
155 1 87 TYR H 1 88 PRO HD2 4.862 . 4.862 4.374 3.954 4.776 . 0 0 "[ . 1 . 2]" 1
156 1 80 LEU HA 1 83 LEU H 4.180 . 4.180 3.511 3.322 3.897 . 0 0 "[ . 1 . 2]" 1
157 1 33 TYR H 1 33 TYR HB3 3.520 . 3.520 2.525 2.402 2.620 . 0 0 "[ . 1 . 2]" 1
158 1 33 TYR HB3 1 34 LEU H 4.620 . 4.620 2.600 2.420 2.733 . 0 0 "[ . 1 . 2]" 1
159 1 61 VAL HA 1 64 LEU H 4.180 . 4.180 3.262 2.781 3.484 . 0 0 "[ . 1 . 2]" 1
160 1 79 PHE H 1 79 PHE HB2 3.498 . 3.498 2.530 2.420 2.627 . 0 0 "[ . 1 . 2]" 1
161 1 67 ILE HA 1 70 ARG H 4.807 . 4.807 3.913 3.375 4.283 . 0 0 "[ . 1 . 2]" 1
162 1 17 PHE H 1 17 PHE HB3 4.334 . 4.334 3.739 3.682 3.814 . 0 0 "[ . 1 . 2]" 1
163 1 73 HIS HB3 1 74 LYS H 4.807 . 4.807 3.262 2.924 4.127 . 0 0 "[ . 1 . 2]" 1
164 1 87 TYR HB3 1 90 LEU H 4.521 . 4.521 3.169 2.730 3.770 . 0 0 "[ . 1 . 2]" 1
165 1 77 VAL HA 1 80 LEU H 4.290 . 4.290 3.538 3.388 3.715 . 0 0 "[ . 1 . 2]" 1
166 1 32 PRO HD2 1 33 TYR H 4.015 . 4.015 2.852 2.546 3.097 . 0 0 "[ . 1 . 2]" 1
167 1 73 HIS HB2 1 74 LYS H 4.807 . 4.807 3.873 2.814 4.203 . 0 0 "[ . 1 . 2]" 1
168 1 31 THR H 1 32 PRO HD2 4.026 . 4.026 2.432 2.298 2.584 . 0 0 "[ . 1 . 2]" 1
169 1 79 PHE HB3 1 80 LEU H 3.872 . 3.872 2.474 2.288 2.644 . 0 0 "[ . 1 . 2]" 1
170 1 79 PHE H 1 79 PHE HB3 3.630 . 3.630 2.512 2.432 2.598 . 0 0 "[ . 1 . 2]" 1
171 1 87 TYR H 1 88 PRO HD3 4.191 . 4.191 3.342 2.838 3.731 . 0 0 "[ . 1 . 2]" 1
172 1 25 ILE HA 1 26 ASP H 2.981 . 2.981 2.178 2.121 2.257 . 0 0 "[ . 1 . 2]" 1
173 1 33 TYR H 1 33 TYR HB2 3.520 . 3.520 2.575 2.454 2.731 . 0 0 "[ . 1 . 2]" 1
174 1 26 ASP HB3 1 29 ARG H 5.159 . 5.159 3.191 2.406 3.790 . 0 0 "[ . 1 . 2]" 1
175 1 91 TYR H 1 91 TYR HB3 3.531 . 3.531 2.545 2.465 2.611 . 0 0 "[ . 1 . 2]" 1
176 1 33 TYR HB2 1 34 LEU H 4.620 . 4.620 3.895 3.797 3.974 . 0 0 "[ . 1 . 2]" 1
177 1 91 TYR HB3 1 92 LYS H 3.652 . 3.652 2.429 2.278 2.633 . 0 0 "[ . 1 . 2]" 1
178 1 41 ASN H 1 41 ASN HB2 3.641 . 3.641 2.500 2.334 2.604 . 0 0 "[ . 1 . 2]" 1
179 1 66 ASP HB2 1 67 ILE H 4.356 . 4.356 3.890 2.911 4.178 . 0 0 "[ . 1 . 2]" 1
180 1 41 ASN HB2 1 44 ASP H 3.795 . 3.795 2.656 2.089 3.262 . 0 0 "[ . 1 . 2]" 1
181 1 66 ASP H 1 66 ASP HB2 4.004 . 4.004 2.478 2.364 2.573 . 0 0 "[ . 1 . 2]" 1
182 1 44 ASP HB2 1 45 GLU H 4.103 . 4.103 2.836 2.279 3.933 . 0 0 "[ . 1 . 2]" 1
183 1 17 PHE H 1 17 PHE HB2 3.740 . 3.740 2.575 2.492 2.689 . 0 0 "[ . 1 . 2]" 1
184 1 41 ASN HB2 1 43 ASP H 4.455 . 4.455 3.504 3.166 4.168 . 0 0 "[ . 1 . 2]" 1
185 1 53 ASN H 1 53 ASN QB 3.454 . 3.454 2.506 2.416 2.583 . 0 0 "[ . 1 . 2]" 1
186 1 51 ASP H 1 51 ASP HB2 4.224 . 4.224 2.492 2.258 3.015 . 0 0 "[ . 1 . 2]" 1
187 1 76 TYR H 1 76 TYR HB3 3.949 . 3.949 2.464 2.331 2.622 . 0 0 "[ . 1 . 2]" 1
188 1 51 ASP H 1 51 ASP HB3 4.224 . 4.224 3.386 2.581 3.659 . 0 0 "[ . 1 . 2]" 1
189 1 11 TRP HE1 1 69 GLN HA 4.598 . 4.598 2.649 1.952 3.188 . 0 0 "[ . 1 . 2]" 1
190 1 43 ASP HB2 1 44 ASP H 4.851 . 4.851 2.802 2.308 4.070 . 0 0 "[ . 1 . 2]" 1
191 1 43 ASP HB3 1 44 ASP H 4.851 . 4.851 3.773 3.485 4.241 . 0 0 "[ . 1 . 2]" 1
192 1 43 ASP H 1 43 ASP HB2 4.224 . 4.224 2.781 2.485 3.641 . 0 0 "[ . 1 . 2]" 1
193 1 43 ASP H 1 43 ASP HB3 4.224 . 4.224 3.415 2.668 3.629 . 0 0 "[ . 1 . 2]" 1
194 1 86 TYR H 1 86 TYR QB 3.432 . 3.432 2.445 2.390 2.550 . 0 0 "[ . 1 . 2]" 1
195 1 41 ASN H 1 44 ASP HB3 4.807 . 4.807 3.700 2.171 4.401 . 0 0 "[ . 1 . 2]" 1
196 1 81 GLU HB2 1 83 LEU H 5.709 . 5.709 5.077 4.874 5.386 . 0 0 "[ . 1 . 2]" 1
197 1 83 LEU H 1 91 TYR HB2 6.017 . 6.017 4.935 4.811 5.223 . 0 0 "[ . 1 . 2]" 1
198 1 87 TYR HB2 1 90 LEU H 4.521 . 4.521 4.084 3.647 4.492 . 0 0 "[ . 1 . 2]" 1
199 1 86 TYR QB 1 87 TYR H 3.740 . 3.740 2.678 2.465 2.963 . 0 0 "[ . 1 . 2]" 1
200 1 81 GLU HB2 1 82 SER H 3.773 . 3.773 2.623 2.323 2.997 . 0 0 "[ . 1 . 2]" 1
201 1 84 GLU H 1 91 TYR HB2 4.653 . 4.653 3.312 2.974 3.547 . 0 0 "[ . 1 . 2]" 1
202 1 44 ASP HB3 1 45 GLU H 4.103 . 4.103 3.504 2.299 3.898 . 0 0 "[ . 1 . 2]" 1
203 1 66 ASP HB3 1 67 ILE H 4.356 . 4.356 2.770 2.474 3.842 . 0 0 "[ . 1 . 2]" 1
204 1 66 ASP H 1 66 ASP HB3 4.004 . 4.004 2.583 2.415 3.608 . 0 0 "[ . 1 . 2]" 1
205 1 39 VAL HB 1 40 LEU H 4.708 . 4.708 4.171 3.932 4.415 . 0 0 "[ . 1 . 2]" 1
206 1 39 VAL H 1 39 VAL HB 4.257 . 4.257 3.748 3.676 3.881 . 0 0 "[ . 1 . 2]" 1
207 1 36 GLN H 1 36 GLN HG2 5.302 . 5.302 3.625 2.124 4.618 . 0 0 "[ . 1 . 2]" 1
208 1 15 GLU H 1 15 GLU QG 4.554 . 4.554 3.328 2.096 4.084 . 0 0 "[ . 1 . 2]" 1
209 1 36 GLN HG2 1 37 CYS H 6.050 . 6.050 3.775 2.691 4.897 . 0 0 "[ . 1 . 2]" 1
210 1 36 GLN HG3 1 37 CYS H 6.050 . 6.050 3.901 2.542 5.268 . 0 0 "[ . 1 . 2]" 1
211 1 13 VAL H 1 13 VAL HB 3.762 . 3.762 2.624 2.484 3.735 . 0 0 "[ . 1 . 2]" 1
212 1 13 VAL HB 1 14 LEU H 4.092 . 4.092 2.709 2.359 3.931 . 0 0 "[ . 1 . 2]" 1
213 1 46 GLU H 1 46 GLU HG2 4.972 . 4.972 3.986 2.205 4.611 . 0 0 "[ . 1 . 2]" 1
214 1 32 PRO HB3 1 33 TYR H 5.038 . 5.038 4.203 4.110 4.282 . 0 0 "[ . 1 . 2]" 1
215 1 33 TYR H 1 34 LEU HG 5.522 . 5.522 4.518 4.348 4.654 . 0 0 "[ . 1 . 2]" 1
216 1 64 LEU H 1 64 LEU HB2 3.498 . 3.498 2.502 2.417 2.593 . 0 0 "[ . 1 . 2]" 1
217 1 34 LEU H 1 34 LEU HG 3.300 . 3.300 2.410 2.315 2.568 . 0 0 "[ . 1 . 2]" 1
218 1 64 LEU HB2 1 65 LEU H 4.488 . 4.488 3.924 3.799 4.059 . 0 0 "[ . 1 . 2]" 1
219 1 36 GLN H 1 36 GLN HB2 3.828 . 3.828 3.023 2.393 3.705 . 0 0 "[ . 1 . 2]" 1
220 1 36 GLN H 1 36 GLN HB3 3.828 . 3.828 2.566 2.422 2.770 . 0 0 "[ . 1 . 2]" 1
221 1 89 GLN HB2 1 90 LEU H 4.565 . 4.565 3.495 2.318 4.053 . 0 0 "[ . 1 . 2]" 1
222 1 42 PRO HG2 1 44 ASP H 5.742 . 5.742 5.069 4.626 5.980 0.238 13 0 "[ . 1 . 2]" 1
223 1 44 ASP H 1 47 GLN QB 6.050 . 6.050 4.764 4.505 5.446 . 0 0 "[ . 1 . 2]" 1
224 1 45 GLU H 1 45 GLU HB3 3.531 . 3.531 2.558 2.453 2.655 . 0 0 "[ . 1 . 2]" 1
225 1 45 GLU HB3 1 46 GLU H 3.498 . 3.498 2.542 2.331 2.914 . 0 0 "[ . 1 . 2]" 1
226 1 18 ARG H 1 18 ARG HB2 4.136 . 4.136 2.486 2.281 2.703 . 0 0 "[ . 1 . 2]" 1
227 1 81 GLU H 1 81 GLU HG3 4.345 . 4.345 2.950 2.223 3.804 . 0 0 "[ . 1 . 2]" 1
228 1 55 VAL H 1 55 VAL HB 3.993 . 3.993 2.753 2.457 3.673 . 0 0 "[ . 1 . 2]" 1
229 1 60 LYS HB2 1 61 VAL H 3.916 . 3.916 2.791 2.366 3.319 . 0 0 "[ . 1 . 2]" 1
230 1 47 GLN H 1 47 GLN QB 3.245 . 3.245 2.251 2.204 2.303 . 0 0 "[ . 1 . 2]" 1
231 1 47 GLN QB 1 48 VAL H 3.575 . 3.575 2.479 2.258 2.795 . 0 0 "[ . 1 . 2]" 1
232 1 48 VAL H 1 48 VAL HB 3.641 . 3.641 2.491 2.421 2.595 . 0 0 "[ . 1 . 2]" 1
233 1 48 VAL HB 1 49 LEU H 4.334 . 4.334 2.712 2.491 2.858 . 0 0 "[ . 1 . 2]" 1
234 1 89 GLN HB3 1 90 LEU H 4.565 . 4.565 3.752 2.532 4.378 . 0 0 "[ . 1 . 2]" 1
235 1 15 GLU H 1 15 GLU HB3 4.367 . 4.367 2.923 2.464 3.652 . 0 0 "[ . 1 . 2]" 1
236 1 63 VAL HB 1 64 LEU H 3.718 . 3.718 2.682 2.468 2.854 . 0 0 "[ . 1 . 2]" 1
237 1 63 VAL H 1 63 VAL HB 3.333 . 3.333 2.549 2.428 2.629 . 0 0 "[ . 1 . 2]" 1
238 1 19 VAL HB 1 20 THR H 4.389 . 4.389 3.415 2.492 4.068 . 0 0 "[ . 1 . 2]" 1
239 1 45 GLU H 1 45 GLU HG2 5.412 . 5.412 4.499 4.431 4.550 . 0 0 "[ . 1 . 2]" 1
240 1 45 GLU H 1 46 GLU QB 5.907 . 5.907 4.525 4.247 4.768 . 0 0 "[ . 1 . 2]" 1
241 1 46 GLU H 1 46 GLU QB 3.102 . 3.102 2.295 2.207 2.570 . 0 0 "[ . 1 . 2]" 1
242 1 46 GLU QB 1 47 GLN H 3.707 . 3.707 2.591 2.333 2.861 . 0 0 "[ . 1 . 2]" 1
243 1 21 LEU HB3 1 22 THR H 3.894 . 3.894 3.446 3.118 3.693 . 0 0 "[ . 1 . 2]" 1
244 1 21 LEU H 1 21 LEU HG 3.080 . 3.080 2.295 2.176 2.416 . 0 0 "[ . 1 . 2]" 1
245 1 61 VAL H 1 61 VAL HB 3.553 . 3.553 2.662 2.592 2.766 . 0 0 "[ . 1 . 2]" 1
246 1 61 VAL HB 1 62 GLY H 3.927 . 3.927 2.698 2.340 2.989 . 0 0 "[ . 1 . 2]" 1
247 1 32 PRO HG3 1 33 TYR H 4.565 . 4.565 3.978 3.885 4.101 . 0 0 "[ . 1 . 2]" 1
248 1 34 LEU H 1 34 LEU HB2 3.597 . 3.597 2.498 2.440 2.541 . 0 0 "[ . 1 . 2]" 1
249 1 74 LYS H 1 74 LYS HB2 4.081 . 4.081 2.525 2.220 3.649 . 0 0 "[ . 1 . 2]" 1
250 1 74 LYS HB2 1 75 GLY H 4.202 . 4.202 3.409 2.359 4.153 . 0 0 "[ . 1 . 2]" 1
251 1 59 ARG QB 1 60 LYS H 3.949 . 3.949 2.670 2.551 2.906 . 0 0 "[ . 1 . 2]" 1
252 1 45 GLU H 1 45 GLU HG3 4.851 . 4.851 4.474 4.387 4.552 . 0 0 "[ . 1 . 2]" 1
253 1 59 ARG H 1 59 ARG QB 3.564 . 3.564 2.318 2.198 2.510 . 0 0 "[ . 1 . 2]" 1
254 1 31 THR H 1 32 PRO HG3 5.357 . 5.357 5.047 4.928 5.168 . 0 0 "[ . 1 . 2]" 1
255 1 27 PRO QB 1 28 SER H 4.554 . 4.554 3.336 3.073 3.523 . 0 0 "[ . 1 . 2]" 1
256 1 83 LEU H 1 83 LEU HB2 3.674 . 3.674 2.478 2.372 2.640 . 0 0 "[ . 1 . 2]" 1
257 1 83 LEU HB2 1 84 GLU H 3.905 . 3.905 2.405 2.210 2.761 . 0 0 "[ . 1 . 2]" 1
258 1 56 ILE H 1 56 ILE HB 3.685 . 3.685 2.648 2.522 2.806 . 0 0 "[ . 1 . 2]" 1
259 1 77 VAL HB 1 78 ALA H 3.674 . 3.674 2.414 2.221 2.588 . 0 0 "[ . 1 . 2]" 1
260 1 83 LEU HB2 1 87 TYR H 6.050 . 6.050 5.397 5.150 5.596 . 0 0 "[ . 1 . 2]" 1
261 1 87 TYR H 1 90 LEU HB3 6.050 . 6.050 4.966 4.718 5.221 . 0 0 "[ . 1 . 2]" 1
262 1 77 VAL H 1 77 VAL HB 3.399 . 3.399 2.588 2.481 2.678 . 0 0 "[ . 1 . 2]" 1
263 1 14 LEU H 1 14 LEU HG 3.993 . 3.993 2.301 2.067 2.499 . 0 0 "[ . 1 . 2]" 1
264 1 42 PRO HG3 1 43 ASP H 4.290 . 4.290 4.033 3.804 4.388 0.098 13 0 "[ . 1 . 2]" 1
265 1 29 ARG QB 1 30 ILE H 4.290 . 4.290 2.708 2.468 2.958 . 0 0 "[ . 1 . 2]" 1
266 1 35 ARG HB2 1 36 GLN H 4.466 . 4.466 2.549 2.247 2.985 . 0 0 "[ . 1 . 2]" 1
267 1 35 ARG HB3 1 36 GLN H 4.466 . 4.466 3.419 3.129 3.733 . 0 0 "[ . 1 . 2]" 1
268 1 18 ARG H 1 18 ARG HB3 4.136 . 4.136 2.685 2.459 3.691 . 0 0 "[ . 1 . 2]" 1
269 1 90 LEU H 1 90 LEU HB3 3.520 . 3.520 2.496 2.436 2.574 . 0 0 "[ . 1 . 2]" 1
270 1 90 LEU HB3 1 91 TYR H 3.949 . 3.949 2.616 2.391 2.775 . 0 0 "[ . 1 . 2]" 1
271 1 60 LYS HB3 1 61 VAL H 4.081 . 4.081 3.704 3.191 4.109 0.028 10 0 "[ . 1 . 2]" 1
272 1 26 ASP H 1 29 ARG QB 5.379 . 5.379 4.157 3.732 4.834 . 0 0 "[ . 1 . 2]" 1
273 1 32 PRO HB2 1 33 TYR H 3.729 . 3.729 3.410 3.162 3.629 . 0 0 "[ . 1 . 2]" 1
274 1 29 ARG H 1 29 ARG QB 3.223 . 3.223 2.251 2.136 2.465 . 0 0 "[ . 1 . 2]" 1
275 1 74 LYS H 1 74 LYS HB3 4.081 . 4.081 2.954 2.445 3.648 . 0 0 "[ . 1 . 2]" 1
276 1 74 LYS HB3 1 75 GLY H 4.202 . 4.202 2.978 2.331 4.112 . 0 0 "[ . 1 . 2]" 1
277 1 97 LYS H 1 97 LYS HB2 4.125 . 4.125 2.825 2.442 4.018 . 0 0 "[ . 1 . 2]" 1
278 1 76 TYR H 1 76 TYR HB2 3.949 . 3.949 2.576 2.367 2.679 . 0 0 "[ . 1 . 2]" 1
279 1 65 LEU H 1 65 LEU HB2 3.531 . 3.531 2.544 2.474 2.670 . 0 0 "[ . 1 . 2]" 1
280 1 65 LEU HB2 1 66 ASP H 3.806 . 3.806 2.564 2.378 2.792 . 0 0 "[ . 1 . 2]" 1
281 1 67 ILE HB 1 68 LEU H 3.311 . 3.311 2.620 2.378 2.914 . 0 0 "[ . 1 . 2]" 1
282 1 68 LEU H 1 68 LEU HG 3.784 . 3.784 2.392 2.165 2.621 . 0 0 "[ . 1 . 2]" 1
283 1 92 LYS QB 1 93 LYS H 3.652 . 3.652 2.870 2.630 3.620 . 0 0 "[ . 1 . 2]" 1
284 1 93 LYS H 1 93 LYS HB3 4.213 . 4.213 3.005 2.414 3.671 . 0 0 "[ . 1 . 2]" 1
285 1 67 ILE H 1 67 ILE HB 3.168 . 3.168 2.495 2.251 2.592 . 0 0 "[ . 1 . 2]" 1
286 1 92 LYS H 1 92 LYS QB 3.102 . 3.102 2.471 2.235 2.727 . 0 0 "[ . 1 . 2]" 1
287 1 58 LYS H 1 58 LYS HB2 4.224 . 4.224 2.601 2.346 3.630 . 0 0 "[ . 1 . 2]" 1
288 1 58 LYS H 1 58 LYS HB3 4.224 . 4.224 3.060 2.512 3.653 . 0 0 "[ . 1 . 2]" 1
289 1 24 VAL H 1 24 VAL HB 3.355 . 3.355 2.576 2.504 2.674 . 0 0 "[ . 1 . 2]" 1
290 1 24 VAL HB 1 25 ILE H 3.751 . 3.751 2.680 2.324 3.003 . 0 0 "[ . 1 . 2]" 1
291 1 23 SER H 1 24 VAL HB 5.566 . 5.566 4.838 4.660 5.044 . 0 0 "[ . 1 . 2]" 1
292 1 48 VAL H 1 49 LEU HG 5.819 . 5.819 4.589 4.396 4.765 . 0 0 "[ . 1 . 2]" 1
293 1 81 GLU H 1 81 GLU HB3 4.026 . 4.026 3.608 3.587 3.638 . 0 0 "[ . 1 . 2]" 1
294 1 45 GLU HB2 1 46 GLU H 4.257 . 4.257 3.859 3.692 4.053 . 0 0 "[ . 1 . 2]" 1
295 1 81 GLU HB3 1 82 SER H 4.246 . 4.246 3.584 3.218 3.939 . 0 0 "[ . 1 . 2]" 1
296 1 49 LEU H 1 49 LEU HG 3.652 . 3.652 2.542 2.404 2.783 . 0 0 "[ . 1 . 2]" 1
297 1 49 LEU HB3 1 50 SER H 5.181 . 5.181 4.373 4.180 4.508 . 0 0 "[ . 1 . 2]" 1
298 1 35 ARG HG2 1 36 GLN H 5.830 . 5.830 4.600 4.265 5.139 . 0 0 "[ . 1 . 2]" 1
299 1 65 LEU HG 1 66 ASP H 5.335 . 5.335 4.346 4.055 4.576 . 0 0 "[ . 1 . 2]" 1
300 1 35 ARG H 1 35 ARG HG2 4.125 . 4.125 2.694 2.275 3.619 . 0 0 "[ . 1 . 2]" 1
301 1 54 LEU HB2 1 55 VAL H 4.972 . 4.972 4.222 3.912 4.490 . 0 0 "[ . 1 . 2]" 1
302 1 65 LEU H 1 65 LEU HG 3.421 . 3.421 2.305 2.189 2.521 . 0 0 "[ . 1 . 2]" 1
303 1 94 VAL H 1 94 VAL HB 3.531 . 3.531 2.550 2.475 2.680 . 0 0 "[ . 1 . 2]" 1
304 1 94 VAL HB 1 95 THR H 4.081 . 4.081 2.626 2.368 2.858 . 0 0 "[ . 1 . 2]" 1
305 1 68 LEU H 1 68 LEU HB2 3.564 . 3.564 2.508 2.455 2.610 . 0 0 "[ . 1 . 2]" 1
306 1 68 LEU HB2 1 69 GLN H 4.224 . 4.224 2.868 2.431 3.117 . 0 0 "[ . 1 . 2]" 1
307 1 25 ILE H 1 25 ILE HB 3.245 . 3.245 2.570 2.519 2.642 . 0 0 "[ . 1 . 2]" 1
308 1 92 LYS H 1 92 LYS QD 5.159 . 5.159 3.405 1.898 4.271 . 0 0 "[ . 1 . 2]" 1
309 1 24 VAL H 1 25 ILE HB 5.214 . 5.214 4.759 4.615 4.885 . 0 0 "[ . 1 . 2]" 1
310 1 58 LYS H 1 58 LYS HD2 6.050 . 6.050 4.561 1.850 5.992 . 0 0 "[ . 1 . 2]" 1
311 1 58 LYS H 1 58 LYS HD3 6.050 . 6.050 4.452 2.616 5.203 . 0 0 "[ . 1 . 2]" 1
312 1 90 LEU H 1 90 LEU HB2 3.542 . 3.542 2.601 2.501 2.723 . 0 0 "[ . 1 . 2]" 1
313 1 80 LEU H 1 80 LEU HB2 3.366 . 3.366 2.511 2.441 2.557 . 0 0 "[ . 1 . 2]" 1
314 1 80 LEU HB2 1 81 GLU H 3.641 . 3.641 2.753 2.591 2.941 . 0 0 "[ . 1 . 2]" 1
315 1 54 LEU HB3 1 55 VAL H 4.972 . 4.972 4.447 4.365 4.541 . 0 0 "[ . 1 . 2]" 1
316 1 77 VAL H 1 78 ALA MB 5.060 . 5.060 4.372 4.295 4.459 . 0 0 "[ . 1 . 2]" 1
317 1 78 ALA H 1 78 ALA MB 3.300 . 3.300 2.241 2.223 2.259 . 0 0 "[ . 1 . 2]" 1
318 1 78 ALA MB 1 79 PHE H 3.707 . 3.707 2.630 2.535 2.723 . 0 0 "[ . 1 . 2]" 1
319 1 74 LYS H 1 74 LYS HG2 5.731 . 5.731 4.008 2.295 4.574 . 0 0 "[ . 1 . 2]" 1
320 1 74 LYS H 1 74 LYS HG3 5.731 . 5.731 3.684 2.179 4.558 . 0 0 "[ . 1 . 2]" 1
321 1 74 LYS HG2 1 75 GLY H 6.050 . 6.050 4.338 2.751 5.094 . 0 0 "[ . 1 . 2]" 1
322 1 74 LYS HG3 1 75 GLY H 6.050 . 6.050 4.533 2.969 4.993 . 0 0 "[ . 1 . 2]" 1
323 1 56 ILE H 1 56 ILE HG13 4.114 . 4.114 2.512 1.965 3.705 . 0 0 "[ . 1 . 2]" 1
324 1 97 LYS H 1 97 LYS HB3 4.125 . 4.125 3.588 2.739 3.859 . 0 0 "[ . 1 . 2]" 1
325 1 49 LEU HB2 1 50 SER H 4.763 . 4.763 3.744 3.418 4.032 . 0 0 "[ . 1 . 2]" 1
326 1 30 ILE H 1 30 ILE HG13 4.180 . 4.180 3.186 3.071 3.315 . 0 0 "[ . 1 . 2]" 1
327 1 69 GLN HB2 1 70 ARG H 5.027 . 5.027 3.723 2.543 4.214 . 0 0 "[ . 1 . 2]" 1
328 1 30 ILE HG13 1 31 THR H 4.411 . 4.411 3.631 3.511 3.788 . 0 0 "[ . 1 . 2]" 1
329 1 84 GLU H 1 84 GLU HB3 3.476 . 3.476 2.622 2.480 3.520 0.044 15 0 "[ . 1 . 2]" 1
330 1 35 ARG H 1 35 ARG HG3 4.125 . 4.125 3.489 2.495 3.939 . 0 0 "[ . 1 . 2]" 1
331 1 64 LEU H 1 64 LEU HB3 3.421 . 3.421 2.556 2.474 2.694 . 0 0 "[ . 1 . 2]" 1
332 1 64 LEU HG 1 68 LEU H 4.851 . 4.851 4.338 3.929 4.682 . 0 0 "[ . 1 . 2]" 1
333 1 64 LEU HB3 1 65 LEU H 4.059 . 4.059 2.630 2.366 2.884 . 0 0 "[ . 1 . 2]" 1
334 1 84 GLU HB3 1 85 LEU H 3.652 . 3.652 2.900 2.679 3.396 . 0 0 "[ . 1 . 2]" 1
335 1 69 GLN H 1 69 GLN HB2 4.268 . 4.268 2.640 2.158 3.681 . 0 0 "[ . 1 . 2]" 1
336 1 40 LEU HB3 1 41 ASN H 4.675 . 4.675 4.087 3.747 4.280 . 0 0 "[ . 1 . 2]" 1
337 1 80 LEU H 1 80 LEU HB3 3.993 . 3.993 3.632 3.617 3.650 . 0 0 "[ . 1 . 2]" 1
338 1 80 LEU HB3 1 81 GLU H 4.400 . 4.400 3.711 3.517 3.852 . 0 0 "[ . 1 . 2]" 1
339 1 40 LEU H 1 40 LEU HB3 3.850 . 3.850 2.675 2.523 2.855 . 0 0 "[ . 1 . 2]" 1
340 1 92 LYS H 1 92 LYS HG3 4.510 . 4.510 2.928 2.025 4.020 . 0 0 "[ . 1 . 2]" 1
341 1 21 LEU H 1 21 LEU HB2 4.103 . 4.103 2.510 2.446 2.560 . 0 0 "[ . 1 . 2]" 1
342 1 25 ILE H 1 25 ILE HG13 3.454 . 3.454 2.207 2.043 2.410 . 0 0 "[ . 1 . 2]" 1
343 1 71 THR H 1 71 THR MG 3.619 . 3.619 2.327 2.162 2.544 . 0 0 "[ . 1 . 2]" 1
344 1 83 LEU H 1 83 LEU HG 3.476 . 3.476 2.471 2.319 2.646 . 0 0 "[ . 1 . 2]" 1
345 1 68 LEU H 1 68 LEU HB3 4.015 . 4.015 3.623 3.598 3.652 . 0 0 "[ . 1 . 2]" 1
346 1 69 GLN HB3 1 70 ARG H 5.027 . 5.027 3.290 2.614 4.254 . 0 0 "[ . 1 . 2]" 1
347 1 97 LYS H 1 97 LYS QG 3.828 . 3.828 2.707 2.163 3.774 . 0 0 "[ . 1 . 2]" 1
348 1 83 LEU HG 1 84 GLU H 5.324 . 5.324 4.415 4.168 4.594 . 0 0 "[ . 1 . 2]" 1
349 1 56 ILE H 1 56 ILE HG12 4.114 . 4.114 3.043 2.021 3.505 . 0 0 "[ . 1 . 2]" 1
350 1 68 LEU HB3 1 69 GLN H 4.565 . 4.565 3.841 3.551 4.013 . 0 0 "[ . 1 . 2]" 1
351 1 34 LEU HB3 1 35 ARG H 4.444 . 4.444 3.810 3.612 3.933 . 0 0 "[ . 1 . 2]" 1
352 1 34 LEU H 1 34 LEU HB3 4.158 . 4.158 3.622 3.607 3.633 . 0 0 "[ . 1 . 2]" 1
353 1 22 THR MG 1 62 GLY H 4.246 . 4.246 2.409 2.005 3.008 . 0 0 "[ . 1 . 2]" 1
354 1 22 THR H 1 22 THR MG 3.476 . 3.476 2.222 2.111 2.345 . 0 0 "[ . 1 . 2]" 1
355 1 80 LEU H 1 80 LEU HG 3.883 . 3.883 2.393 2.272 2.530 . 0 0 "[ . 1 . 2]" 1
356 1 20 THR MG 1 23 SER H 5.005 . 5.005 4.811 4.582 4.996 . 0 0 "[ . 1 . 2]" 1
357 1 20 THR MG 1 21 LEU H 4.290 . 4.290 3.519 3.344 3.760 . 0 0 "[ . 1 . 2]" 1
358 1 30 ILE H 1 30 ILE HG12 3.784 . 3.784 2.259 2.114 2.489 . 0 0 "[ . 1 . 2]" 1
359 1 29 ARG H 1 30 ILE HG12 4.719 . 4.719 4.203 3.867 4.569 . 0 0 "[ . 1 . 2]" 1
360 1 31 THR H 1 31 THR MG 3.630 . 3.630 2.565 2.276 2.821 . 0 0 "[ . 1 . 2]" 1
361 1 83 LEU H 1 83 LEU HB3 4.070 . 4.070 3.621 3.586 3.645 . 0 0 "[ . 1 . 2]" 1
362 1 83 LEU HB3 1 84 GLU H 4.378 . 4.378 3.334 3.062 3.713 . 0 0 "[ . 1 . 2]" 1
363 1 83 LEU HB3 1 91 TYR H 4.510 . 4.510 3.208 3.045 3.471 . 0 0 "[ . 1 . 2]" 1
364 1 65 LEU HB3 1 66 ASP H 4.235 . 4.235 3.592 3.414 3.758 . 0 0 "[ . 1 . 2]" 1
365 1 13 VAL MG1 1 14 LEU H 4.686 . 4.686 3.542 3.261 3.988 . 0 0 "[ . 1 . 2]" 1
366 1 13 VAL MG2 1 14 LEU H 5.126 . 5.126 3.776 2.344 3.953 . 0 0 "[ . 1 . 2]" 1
367 1 61 VAL H 1 61 VAL MG2 3.333 . 3.333 2.121 2.015 2.299 . 0 0 "[ . 1 . 2]" 1
368 1 61 VAL MG2 1 62 GLY H 4.840 . 4.840 3.831 3.687 3.919 . 0 0 "[ . 1 . 2]" 1
369 1 62 GLY H 1 63 VAL MG2 5.577 . 5.577 4.271 4.135 4.673 . 0 0 "[ . 1 . 2]" 1
370 1 63 VAL H 1 63 VAL MG2 3.333 . 3.333 2.144 2.027 2.347 . 0 0 "[ . 1 . 2]" 1
371 1 63 VAL MG2 1 64 LEU H 4.433 . 4.433 3.881 3.799 4.043 . 0 0 "[ . 1 . 2]" 1
372 1 34 LEU MD1 1 35 ARG H 5.137 . 5.137 4.750 4.552 4.854 . 0 0 "[ . 1 . 2]" 1
373 1 35 ARG H 1 40 LEU HB2 5.390 . 5.390 4.183 3.979 4.606 . 0 0 "[ . 1 . 2]" 1
374 1 56 ILE H 1 56 ILE MG 4.488 . 4.488 3.856 3.825 3.899 . 0 0 "[ . 1 . 2]" 1
375 1 19 VAL MG2 1 20 THR H 4.774 . 4.774 3.412 2.173 3.885 . 0 0 "[ . 1 . 2]" 1
376 1 21 LEU H 1 21 LEU MD1 4.125 . 4.125 3.652 3.542 3.748 . 0 0 "[ . 1 . 2]" 1
377 1 56 ILE MG 1 59 ARG H 4.323 . 4.323 3.223 2.883 3.773 . 0 0 "[ . 1 . 2]" 1
378 1 40 LEU H 1 40 LEU HB2 3.806 . 3.806 2.801 2.606 3.123 . 0 0 "[ . 1 . 2]" 1
379 1 31 THR H 1 34 LEU MD1 5.676 . 5.676 4.533 3.988 4.874 . 0 0 "[ . 1 . 2]" 1
380 1 29 ARG H 1 30 ILE MG 4.961 . 4.961 4.117 3.813 4.281 . 0 0 "[ . 1 . 2]" 1
381 1 34 LEU H 1 34 LEU MD2 4.213 . 4.213 3.308 3.183 3.552 . 0 0 "[ . 1 . 2]" 1
382 1 34 LEU MD2 1 82 SER H 4.730 . 4.730 4.538 3.673 4.781 0.051 5 0 "[ . 1 . 2]" 1
383 1 24 VAL MG2 1 25 ILE H 4.466 . 4.466 3.904 3.766 4.034 . 0 0 "[ . 1 . 2]" 1
384 1 24 VAL H 1 24 VAL MG2 3.542 . 3.542 2.353 2.220 2.536 . 0 0 "[ . 1 . 2]" 1
385 1 56 ILE H 1 56 ILE MD 4.796 . 4.796 3.529 2.912 3.838 . 0 0 "[ . 1 . 2]" 1
386 1 14 LEU H 1 14 LEU MD2 4.444 . 4.444 3.105 2.861 3.286 . 0 0 "[ . 1 . 2]" 1
387 1 48 VAL H 1 48 VAL MG2 3.399 . 3.399 2.213 2.072 2.379 . 0 0 "[ . 1 . 2]" 1
388 1 19 VAL MG1 1 20 THR H 4.774 . 4.774 3.199 2.110 4.157 . 0 0 "[ . 1 . 2]" 1
389 1 21 LEU H 1 21 LEU MD2 4.411 . 4.411 3.304 3.149 3.508 . 0 0 "[ . 1 . 2]" 1
390 1 85 LEU HB3 1 86 TYR H 3.652 . 3.652 2.448 2.372 2.599 . 0 0 "[ . 1 . 2]" 1
391 1 85 LEU H 1 85 LEU HB3 3.124 . 3.124 2.722 2.667 2.838 . 0 0 "[ . 1 . 2]" 1
392 1 63 VAL H 1 63 VAL MG1 4.356 . 4.356 3.826 3.804 3.851 . 0 0 "[ . 1 . 2]" 1
393 1 67 ILE H 1 67 ILE HG13 4.367 . 4.367 2.393 2.113 3.819 . 0 0 "[ . 1 . 2]" 1
394 1 63 VAL MG1 1 66 ASP H 5.544 . 5.544 4.731 4.535 4.927 . 0 0 "[ . 1 . 2]" 1
395 1 77 VAL MG1 1 78 ALA H 3.839 . 3.839 3.314 3.127 3.425 . 0 0 "[ . 1 . 2]" 1
396 1 64 LEU MD1 1 68 LEU H 5.093 . 5.093 4.020 3.687 4.413 . 0 0 "[ . 1 . 2]" 1
397 1 68 LEU H 1 68 LEU MD2 5.555 . 5.555 3.321 2.989 3.527 . 0 0 "[ . 1 . 2]" 1
398 1 77 VAL MG1 1 81 GLU H 4.697 . 4.697 4.154 4.028 4.315 . 0 0 "[ . 1 . 2]" 1
399 1 77 VAL H 1 77 VAL MG2 3.223 . 3.223 2.099 1.942 2.255 . 0 0 "[ . 1 . 2]" 1
400 1 63 VAL MG1 1 64 LEU H 4.081 . 4.081 3.531 3.314 3.702 . 0 0 "[ . 1 . 2]" 1
401 1 31 THR H 1 48 VAL MG1 6.050 . 6.050 4.769 4.338 5.347 . 0 0 "[ . 1 . 2]" 1
402 1 31 THR H 1 49 LEU MD1 6.050 . 6.050 5.373 4.905 5.892 . 0 0 "[ . 1 . 2]" 1
403 1 48 VAL MG1 1 49 LEU H 4.686 . 4.686 3.397 3.187 3.725 . 0 0 "[ . 1 . 2]" 1
404 1 49 LEU H 1 49 LEU MD1 5.181 . 5.181 3.811 3.661 3.974 . 0 0 "[ . 1 . 2]" 1
405 1 34 LEU H 1 39 VAL MG2 5.225 . 5.225 4.705 4.503 4.965 . 0 0 "[ . 1 . 2]" 1
406 1 39 VAL MG2 1 40 LEU H 3.707 . 3.707 2.729 2.305 3.294 . 0 0 "[ . 1 . 2]" 1
407 1 24 VAL H 1 24 VAL MG1 4.202 . 4.202 3.872 3.836 3.907 . 0 0 "[ . 1 . 2]" 1
408 1 24 VAL MG1 1 25 ILE H 4.004 . 4.004 3.507 3.186 3.811 . 0 0 "[ . 1 . 2]" 1
409 1 38 LYS H 1 39 VAL MG1 5.225 . 5.225 4.383 4.104 4.590 . 0 0 "[ . 1 . 2]" 1
410 1 38 LYS H 1 39 VAL MG2 5.434 . 5.434 4.017 3.848 4.160 . 0 0 "[ . 1 . 2]" 1
411 1 39 VAL H 1 39 VAL MG2 3.256 . 3.256 2.108 1.979 2.291 . 0 0 "[ . 1 . 2]" 1
412 1 39 VAL MG1 1 75 GLY H 5.291 . 5.291 3.463 3.212 4.197 . 0 0 "[ . 1 . 2]" 1
413 1 61 VAL MG1 1 62 GLY H 4.532 . 4.532 3.635 3.362 3.899 . 0 0 "[ . 1 . 2]" 1
414 1 22 THR H 1 61 VAL MG1 4.840 . 4.840 3.840 3.520 4.075 . 0 0 "[ . 1 . 2]" 1
415 1 40 LEU MD1 1 41 ASN H 4.675 . 4.675 3.030 2.274 4.637 . 0 0 "[ . 1 . 2]" 1
416 1 40 LEU MD2 1 41 ASN H 5.104 . 5.104 4.323 2.973 4.751 . 0 0 "[ . 1 . 2]" 1
417 1 35 ARG H 1 39 VAL MG2 4.972 . 4.972 4.705 4.471 4.967 . 0 0 "[ . 1 . 2]" 1
418 1 35 ARG H 1 40 LEU MD2 5.236 . 5.236 3.505 3.246 3.949 . 0 0 "[ . 1 . 2]" 1
419 1 40 LEU MD2 1 45 GLU H 4.422 . 4.422 3.422 2.534 3.737 . 0 0 "[ . 1 . 2]" 1
420 1 67 ILE MG 1 68 LEU H 4.026 . 4.026 3.371 2.984 3.672 . 0 0 "[ . 1 . 2]" 1
421 1 68 LEU MD1 1 79 PHE H 5.269 . 5.269 4.090 3.339 4.919 . 0 0 "[ . 1 . 2]" 1
422 1 67 ILE H 1 67 ILE MG 4.334 . 4.334 3.810 3.704 3.854 . 0 0 "[ . 1 . 2]" 1
423 1 90 LEU H 1 90 LEU MD1 4.884 . 4.884 4.224 4.156 4.284 . 0 0 "[ . 1 . 2]" 1
424 1 90 LEU H 1 90 LEU MD2 5.335 . 5.335 4.334 4.270 4.387 . 0 0 "[ . 1 . 2]" 1
425 1 21 LEU H 1 25 ILE MD 6.050 . 6.050 4.861 4.719 4.987 . 0 0 "[ . 1 . 2]" 1
426 1 21 LEU H 1 90 LEU MD1 6.050 . 6.050 4.328 3.663 5.032 . 0 0 "[ . 1 . 2]" 1
427 1 21 LEU H 1 90 LEU MD2 6.050 . 6.050 4.846 4.225 5.359 . 0 0 "[ . 1 . 2]" 1
428 1 24 VAL H 1 90 LEU MD2 4.983 . 4.983 4.240 3.781 4.696 . 0 0 "[ . 1 . 2]" 1
429 1 65 LEU H 1 65 LEU MD1 4.268 . 4.268 3.708 3.597 3.827 . 0 0 "[ . 1 . 2]" 1
430 1 25 ILE H 1 25 ILE MD 4.499 . 4.499 3.604 3.483 3.699 . 0 0 "[ . 1 . 2]" 1
431 1 25 ILE H 1 90 LEU MD2 4.686 . 4.686 3.487 2.998 3.855 . 0 0 "[ . 1 . 2]" 1
432 1 95 THR MG 1 96 GLY H 4.818 . 4.818 3.078 2.183 4.161 . 0 0 "[ . 1 . 2]" 1
433 1 95 THR H 1 95 THR MG 3.608 . 3.608 2.204 2.016 2.513 . 0 0 "[ . 1 . 2]" 1
434 1 84 GLU H 1 84 GLU HB2 3.421 . 3.421 2.463 2.224 2.535 . 0 0 "[ . 1 . 2]" 1
435 1 84 GLU HB2 1 85 LEU H 4.675 . 4.675 3.986 2.952 4.151 . 0 0 "[ . 1 . 2]" 1
436 1 25 ILE MG 1 26 ASP H 3.740 . 3.740 2.804 2.462 3.068 . 0 0 "[ . 1 . 2]" 1
437 1 25 ILE H 1 25 ILE MG 4.356 . 4.356 3.851 3.819 3.867 . 0 0 "[ . 1 . 2]" 1
438 1 83 LEU H 1 83 LEU MD2 4.202 . 4.202 3.345 2.822 3.576 . 0 0 "[ . 1 . 2]" 1
439 1 80 LEU H 1 80 LEU MD2 4.378 . 4.378 3.299 3.158 3.412 . 0 0 "[ . 1 . 2]" 1
440 1 83 LEU MD2 1 91 TYR H 4.840 . 4.840 3.879 3.312 4.354 . 0 0 "[ . 1 . 2]" 1
441 1 91 TYR H 1 94 VAL MG2 5.214 . 5.214 4.448 4.007 4.660 . 0 0 "[ . 1 . 2]" 1
442 1 83 LEU MD2 1 87 TYR H 4.862 . 4.862 4.143 3.738 4.446 . 0 0 "[ . 1 . 2]" 1
443 1 94 VAL H 1 94 VAL MG2 3.245 . 3.245 2.103 1.909 2.276 . 0 0 "[ . 1 . 2]" 1
444 1 94 VAL MG2 1 95 THR H 4.158 . 4.158 3.866 3.701 4.005 . 0 0 "[ . 1 . 2]" 1
445 1 80 LEU H 1 80 LEU MD1 4.312 . 4.312 3.752 3.661 3.841 . 0 0 "[ . 1 . 2]" 1
446 1 83 LEU MD1 1 91 TYR H 4.664 . 4.664 4.125 3.815 4.481 . 0 0 "[ . 1 . 2]" 1
447 1 83 LEU MD1 1 94 VAL H 4.774 . 4.774 4.294 4.059 4.563 . 0 0 "[ . 1 . 2]" 1
448 1 94 VAL MG1 1 95 THR H 4.378 . 4.378 3.476 3.247 3.720 . 0 0 "[ . 1 . 2]" 1
449 1 25 ILE H 1 25 ILE HG12 4.070 . 4.070 3.502 3.355 3.707 . 0 0 "[ . 1 . 2]" 1
450 1 85 LEU HB2 1 86 TYR H 4.213 . 4.213 3.636 3.585 3.699 . 0 0 "[ . 1 . 2]" 1
451 1 85 LEU H 1 85 LEU HB2 3.652 . 3.652 2.370 2.297 2.460 . 0 0 "[ . 1 . 2]" 1
452 1 30 ILE H 1 32 PRO HD2 5.720 . 5.720 4.265 4.040 4.482 . 0 0 "[ . 1 . 2]" 1
453 1 25 ILE MG 1 30 ILE H 6.050 . 6.050 4.962 4.522 5.282 . 0 0 "[ . 1 . 2]" 1
454 1 30 ILE H 1 48 VAL MG1 6.050 . 6.050 5.181 4.722 5.784 . 0 0 "[ . 1 . 2]" 1
455 1 40 LEU HB2 1 41 ASN H 5.170 . 5.170 4.326 4.097 4.473 . 0 0 "[ . 1 . 2]" 1
456 1 76 TYR H 1 76 TYR QD 5.005 . 5.005 4.232 4.178 4.266 . 0 0 "[ . 1 . 2]" 1
457 1 76 TYR H 1 77 VAL MG2 4.840 . 4.840 4.119 3.843 4.292 . 0 0 "[ . 1 . 2]" 1
458 1 24 VAL MG1 1 26 ASP H 6.050 . 6.050 4.866 4.528 5.251 . 0 0 "[ . 1 . 2]" 1
459 1 26 ASP H 1 61 VAL MG1 6.050 . 6.050 5.831 5.439 6.140 0.090 14 0 "[ . 1 . 2]" 1
460 1 25 ILE HB 1 26 ASP H 4.862 . 4.862 4.240 4.044 4.370 . 0 0 "[ . 1 . 2]" 1
461 1 25 ILE HG12 1 26 ASP H 4.862 . 4.862 4.520 4.281 4.772 . 0 0 "[ . 1 . 2]" 1
462 1 30 ILE MG 1 83 LEU H 6.050 . 6.050 5.447 5.044 5.832 . 0 0 "[ . 1 . 2]" 1
463 1 30 ILE MD 1 83 LEU H 6.050 . 6.050 5.140 4.732 5.467 . 0 0 "[ . 1 . 2]" 1
464 1 18 ARG H 1 21 LEU MD1 4.829 . 4.829 3.849 3.334 4.147 . 0 0 "[ . 1 . 2]" 1
465 1 17 PHE HB2 1 18 ARG H 4.917 . 4.917 3.855 3.462 4.055 . 0 0 "[ . 1 . 2]" 1
466 1 4 TYR HB3 1 5 GLU H 5.115 . 5.115 3.924 2.364 4.571 . 0 0 "[ . 1 . 2]" 1
467 1 5 GLU H 1 5 GLU HG2 5.709 . 5.709 3.550 1.961 4.866 . 0 0 "[ . 1 . 2]" 1
468 1 5 GLU H 1 5 GLU HG3 5.709 . 5.709 3.389 1.997 4.704 . 0 0 "[ . 1 . 2]" 1
469 1 4 TYR HB2 1 5 GLU H 5.115 . 5.115 4.090 2.365 4.588 . 0 0 "[ . 1 . 2]" 1
470 1 77 VAL MG1 1 80 LEU H 5.522 . 5.522 4.829 4.656 4.963 . 0 0 "[ . 1 . 2]" 1
471 1 83 LEU H 1 85 LEU H 4.884 . 4.884 4.132 3.991 4.313 . 0 0 "[ . 1 . 2]" 1
472 1 84 GLU H 1 91 TYR QE 5.082 . 5.082 4.269 3.843 4.803 . 0 0 "[ . 1 . 2]" 1
473 1 78 ALA H 1 81 GLU H 5.610 . 5.610 4.765 4.646 4.891 . 0 0 "[ . 1 . 2]" 1
474 1 77 VAL H 1 79 PHE H 4.961 . 4.961 4.010 3.822 4.117 . 0 0 "[ . 1 . 2]" 1
475 1 29 ARG H 1 31 THR H 4.917 . 4.917 4.133 3.938 4.290 . 0 0 "[ . 1 . 2]" 1
476 1 53 ASN H 1 55 VAL H 6.006 . 6.006 4.077 3.517 4.683 . 0 0 "[ . 1 . 2]" 1
477 1 25 ILE H 1 26 ASP H 5.104 . 5.104 4.542 4.420 4.676 . 0 0 "[ . 1 . 2]" 1
478 1 11 TRP HE1 1 72 GLY H 5.027 . 5.027 4.306 3.164 5.076 0.049 19 0 "[ . 1 . 2]" 1
479 1 40 LEU H 1 41 ASN H 5.203 . 5.203 4.436 4.273 4.577 . 0 0 "[ . 1 . 2]" 1
480 1 41 ASN H 1 45 GLU H 5.929 . 5.929 4.430 4.059 5.134 . 0 0 "[ . 1 . 2]" 1
481 1 75 GLY H 1 77 VAL H 5.247 . 5.247 4.291 4.023 4.487 . 0 0 "[ . 1 . 2]" 1
482 1 80 LEU HA 1 84 GLU H 5.060 . 5.060 4.060 3.833 4.257 . 0 0 "[ . 1 . 2]" 1
483 1 84 GLU H 1 91 TYR HB3 4.972 . 4.972 4.675 4.298 4.994 0.022 12 0 "[ . 1 . 2]" 1
484 1 84 GLU H 1 85 LEU HB3 5.940 . 5.940 5.304 5.072 5.477 . 0 0 "[ . 1 . 2]" 1
485 1 34 LEU HG 1 35 ARG H 4.840 . 4.840 4.478 4.427 4.537 . 0 0 "[ . 1 . 2]" 1
486 1 35 ARG H 1 35 ARG HD3 6.050 . 6.050 4.500 3.766 5.052 . 0 0 "[ . 1 . 2]" 1
487 1 47 GLN H 1 48 VAL MG2 4.928 . 4.928 4.316 3.979 4.491 . 0 0 "[ . 1 . 2]" 1
488 1 90 LEU MD2 1 91 TYR H 5.016 . 5.016 4.328 3.998 4.539 . 0 0 "[ . 1 . 2]" 1
489 1 73 HIS HA 1 77 VAL H 5.907 . 5.907 4.355 4.011 4.988 . 0 0 "[ . 1 . 2]" 1
490 1 75 GLY HA3 1 77 VAL H 6.050 . 6.050 4.867 4.661 5.045 . 0 0 "[ . 1 . 2]" 1
491 1 14 LEU HA 1 17 PHE H 5.016 . 5.016 3.449 3.151 3.659 . 0 0 "[ . 1 . 2]" 1
492 1 15 GLU HA 1 17 PHE H 5.016 . 5.016 3.864 3.656 4.167 . 0 0 "[ . 1 . 2]" 1
493 1 46 GLU HA 1 49 LEU H 4.917 . 4.917 3.657 3.085 4.203 . 0 0 "[ . 1 . 2]" 1
494 1 48 VAL MG1 1 50 SER H 5.390 . 5.390 4.677 4.541 4.788 . 0 0 "[ . 1 . 2]" 1
495 1 49 LEU MD2 1 50 SER H 5.126 . 5.126 4.700 4.501 4.893 . 0 0 "[ . 1 . 2]" 1
496 1 38 LYS H 1 38 LYS HD2 5.192 . 5.192 3.631 2.305 5.218 0.026 15 0 "[ . 1 . 2]" 1
497 1 91 TYR HA 1 94 VAL H 4.895 . 4.895 3.658 3.390 3.938 . 0 0 "[ . 1 . 2]" 1
498 1 69 GLN HA 1 72 GLY H 5.071 . 5.071 3.577 2.968 4.016 . 0 0 "[ . 1 . 2]" 1
499 1 71 THR MG 1 72 GLY H 4.840 . 4.840 4.152 4.036 4.367 . 0 0 "[ . 1 . 2]" 1
500 1 38 LYS HB3 1 39 VAL H 5.214 . 5.214 4.460 4.368 4.538 . 0 0 "[ . 1 . 2]" 1
501 1 69 GLN HA 1 71 THR H 4.994 . 4.994 3.886 3.677 4.111 . 0 0 "[ . 1 . 2]" 1
502 1 11 TRP H 1 11 TRP HE3 5.192 . 5.192 5.052 4.451 5.276 0.084 1 0 "[ . 1 . 2]" 1
503 1 9 GLU QB 1 10 CYS H 4.917 . 4.917 2.709 2.264 3.680 . 0 0 "[ . 1 . 2]" 1
504 1 9 GLU QG 1 10 CYS H 5.357 . 5.357 3.734 2.158 4.478 . 0 0 "[ . 1 . 2]" 1
505 1 3 ASP HB3 1 4 TYR H 5.258 . 5.258 3.593 1.920 4.514 . 0 0 "[ . 1 . 2]" 1
506 1 3 ASP HB2 1 4 TYR H 5.258 . 5.258 3.859 2.100 4.587 . 0 0 "[ . 1 . 2]" 1
507 1 4 TYR H 1 5 GLU H 4.400 . 4.400 3.406 1.682 4.544 0.144 2 0 "[ . 1 . 2]" 1
508 1 11 TRP H 1 12 SER H 5.544 . 5.544 2.521 2.351 2.667 . 0 0 "[ . 1 . 2]" 1
509 1 12 SER HA 1 14 LEU H 5.434 . 5.434 4.323 3.678 4.677 . 0 0 "[ . 1 . 2]" 1
510 1 16 GLY H 1 17 PHE H 5.159 . 5.159 2.779 2.730 2.833 . 0 0 "[ . 1 . 2]" 1
511 1 17 PHE H 1 21 LEU MD1 5.181 . 5.181 3.850 3.581 4.254 . 0 0 "[ . 1 . 2]" 1
512 1 14 LEU MD2 1 17 PHE H 5.764 . 5.764 5.000 4.648 5.274 . 0 0 "[ . 1 . 2]" 1
513 1 18 ARG H 1 21 LEU H 5.291 . 5.291 4.781 4.643 4.889 . 0 0 "[ . 1 . 2]" 1
514 1 17 PHE HB3 1 18 ARG H 5.368 . 5.368 4.439 4.237 4.512 . 0 0 "[ . 1 . 2]" 1
515 1 19 VAL H 1 21 LEU MD1 6.050 . 6.050 5.261 4.991 5.592 . 0 0 "[ . 1 . 2]" 1
516 1 17 PHE HB2 1 21 LEU H 5.500 . 5.500 4.637 4.350 5.047 . 0 0 "[ . 1 . 2]" 1
517 1 19 VAL HA 1 22 THR H 4.961 . 4.961 4.067 3.613 4.568 . 0 0 "[ . 1 . 2]" 1
518 1 21 LEU MD1 1 22 THR H 5.434 . 5.434 4.436 4.213 4.691 . 0 0 "[ . 1 . 2]" 1
519 1 22 THR H 1 25 ILE MD 5.280 . 5.280 4.597 4.166 4.874 . 0 0 "[ . 1 . 2]" 1
520 1 22 THR H 1 65 LEU MD1 5.808 . 5.808 4.592 3.635 5.026 . 0 0 "[ . 1 . 2]" 1
521 1 18 ARG HG2 1 22 THR H 6.050 . 6.050 4.412 4.040 4.969 . 0 0 "[ . 1 . 2]" 1
522 1 18 ARG HG3 1 22 THR H 6.050 . 6.050 4.729 3.920 6.143 0.093 19 0 "[ . 1 . 2]" 1
523 1 22 THR H 1 24 VAL H 5.214 . 5.214 4.317 4.136 4.561 . 0 0 "[ . 1 . 2]" 1
524 1 24 VAL H 1 25 ILE HG13 5.104 . 5.104 4.115 3.882 4.305 . 0 0 "[ . 1 . 2]" 1
525 1 20 THR MG 1 24 VAL H 5.214 . 5.214 4.123 3.972 4.292 . 0 0 "[ . 1 . 2]" 1
526 1 23 SER H 1 25 ILE H 4.818 . 4.818 4.182 3.839 4.580 . 0 0 "[ . 1 . 2]" 1
527 1 21 LEU HB3 1 25 ILE H 5.192 . 5.192 4.875 4.695 5.010 . 0 0 "[ . 1 . 2]" 1
528 1 26 ASP H 1 27 PRO HA 6.017 . 6.017 5.125 4.924 5.305 . 0 0 "[ . 1 . 2]" 1
529 1 25 ILE MD 1 26 ASP H 5.995 . 5.995 5.229 4.950 5.440 . 0 0 "[ . 1 . 2]" 1
530 1 26 ASP H 1 90 LEU MD2 6.050 . 6.050 5.538 4.811 6.063 0.013 13 0 "[ . 1 . 2]" 1
531 1 26 ASP H 1 30 ILE MG 5.148 . 5.148 4.369 4.012 4.858 . 0 0 "[ . 1 . 2]" 1
532 1 25 ILE HG13 1 26 ASP H 5.654 . 5.654 5.095 4.994 5.237 . 0 0 "[ . 1 . 2]" 1
533 1 28 SER H 1 48 VAL MG1 5.346 . 5.346 3.142 2.805 3.661 . 0 0 "[ . 1 . 2]" 1
534 1 26 ASP HB2 1 29 ARG H 5.159 . 5.159 4.404 3.268 4.938 . 0 0 "[ . 1 . 2]" 1
535 1 28 SER HA 1 30 ILE H 5.126 . 5.126 4.212 3.949 4.524 . 0 0 "[ . 1 . 2]" 1
536 1 30 ILE HB 1 31 THR H 4.983 . 4.983 4.510 4.466 4.549 . 0 0 "[ . 1 . 2]" 1
537 1 29 ARG QB 1 31 THR H 5.159 . 5.159 4.687 4.551 4.829 . 0 0 "[ . 1 . 2]" 1
538 1 33 TYR H 1 35 ARG H 5.434 . 5.434 4.020 3.848 4.172 . 0 0 "[ . 1 . 2]" 1
539 1 33 TYR H 1 36 GLN H 5.467 . 5.467 4.738 4.484 4.870 . 0 0 "[ . 1 . 2]" 1
540 1 33 TYR H 1 86 TYR QE 6.050 . 6.050 5.326 4.455 6.138 0.088 13 0 "[ . 1 . 2]" 1
541 1 30 ILE HG13 1 34 LEU H 4.983 . 4.983 4.343 4.203 4.459 . 0 0 "[ . 1 . 2]" 1
542 1 35 ARG H 1 35 ARG HD2 6.050 . 6.050 4.519 3.601 5.335 . 0 0 "[ . 1 . 2]" 1
543 1 34 LEU HA 1 36 GLN H 5.291 . 5.291 4.602 4.140 4.871 . 0 0 "[ . 1 . 2]" 1
544 1 35 ARG HG3 1 36 GLN H 5.830 . 5.830 4.794 4.505 4.977 . 0 0 "[ . 1 . 2]" 1
545 1 38 LYS H 1 38 LYS HD3 5.192 . 5.192 3.825 2.484 4.951 . 0 0 "[ . 1 . 2]" 1
546 1 34 LEU HA 1 39 VAL H 5.335 . 5.335 4.027 3.796 4.261 . 0 0 "[ . 1 . 2]" 1
547 1 38 LYS HB2 1 39 VAL H 5.214 . 5.214 4.107 3.849 4.376 . 0 0 "[ . 1 . 2]" 1
548 1 39 VAL H 1 78 ALA MB 6.050 . 6.050 4.517 4.179 4.800 . 0 0 "[ . 1 . 2]" 1
549 1 39 VAL H 1 40 LEU HB3 5.324 . 5.324 4.590 4.150 4.921 . 0 0 "[ . 1 . 2]" 1
550 1 39 VAL H 1 40 LEU HB2 4.928 . 4.928 4.523 4.236 4.926 . 0 0 "[ . 1 . 2]" 1
551 1 34 LEU HA 1 40 LEU H 5.665 . 5.665 4.459 4.107 5.096 . 0 0 "[ . 1 . 2]" 1
552 1 34 LEU HB2 1 40 LEU H 5.181 . 5.181 4.464 4.067 4.967 . 0 0 "[ . 1 . 2]" 1
553 1 34 LEU HB3 1 40 LEU H 5.104 . 5.104 3.445 3.036 4.051 . 0 0 "[ . 1 . 2]" 1
554 1 41 ASN H 1 42 PRO QD 5.357 . 5.357 4.535 4.497 4.555 . 0 0 "[ . 1 . 2]" 1
555 1 42 PRO HA 1 44 ASP H 5.027 . 5.027 4.498 4.252 4.738 . 0 0 "[ . 1 . 2]" 1
556 1 42 PRO QD 1 44 ASP H 5.368 . 5.368 4.525 4.050 4.836 . 0 0 "[ . 1 . 2]" 1
557 1 44 ASP H 1 45 GLU HB2 5.808 . 5.808 4.982 4.773 5.265 . 0 0 "[ . 1 . 2]" 1
558 1 40 LEU MD2 1 44 ASP H 5.467 . 5.467 5.222 3.843 5.577 0.110 5 0 "[ . 1 . 2]" 1
559 1 44 ASP H 1 67 ILE MD 5.511 . 5.511 5.015 4.376 5.842 0.331 14 0 "[ . 1 . 2]" 1
560 1 40 LEU HG 1 45 GLU H 4.884 . 4.884 3.256 2.935 4.259 . 0 0 "[ . 1 . 2]" 1
561 1 43 ASP H 1 46 GLU H 5.819 . 5.819 4.848 4.484 5.654 . 0 0 "[ . 1 . 2]" 1
562 1 46 GLU H 1 49 LEU MD1 6.050 . 6.050 4.859 4.244 5.400 . 0 0 "[ . 1 . 2]" 1
563 1 45 GLU HB2 1 47 GLN H 6.050 . 6.050 5.847 5.634 6.093 0.043 15 0 "[ . 1 . 2]" 1
564 1 47 GLN H 1 49 LEU HG 6.050 . 6.050 5.961 5.695 6.120 0.070 19 0 "[ . 1 . 2]" 1
565 1 45 GLU HA 1 49 LEU H 5.456 . 5.456 4.064 3.718 4.349 . 0 0 "[ . 1 . 2]" 1
566 1 48 VAL H 1 50 SER H 5.280 . 5.280 4.134 3.779 4.456 . 0 0 "[ . 1 . 2]" 1
567 1 47 GLN HA 1 50 SER H 4.972 . 4.972 3.926 3.507 4.380 . 0 0 "[ . 1 . 2]" 1
568 1 49 LEU HB3 1 51 ASP H 6.050 . 6.050 5.153 4.475 5.644 . 0 0 "[ . 1 . 2]" 1
569 1 51 ASP HA 1 53 ASN H 5.093 . 5.093 3.740 3.060 4.391 . 0 0 "[ . 1 . 2]" 1
570 1 53 ASN H 1 54 LEU HG 5.247 . 5.247 4.788 4.094 5.411 0.164 4 0 "[ . 1 . 2]" 1
571 1 53 ASN H 1 53 ASN HD21 5.500 . 5.500 3.628 2.184 5.038 . 0 0 "[ . 1 . 2]" 1
572 1 53 ASN H 1 53 ASN HD22 5.500 . 5.500 4.328 3.306 5.236 . 0 0 "[ . 1 . 2]" 1
573 1 55 VAL H 1 56 ILE HB 5.709 . 5.709 4.863 4.507 5.125 . 0 0 "[ . 1 . 2]" 1
574 1 44 ASP H 1 46 GLU QB 5.874 . 5.874 4.926 4.539 5.338 . 0 0 "[ . 1 . 2]" 1
575 1 45 GLU HA 1 47 GLN H 5.335 . 5.335 4.441 4.209 4.622 . 0 0 "[ . 1 . 2]" 1
576 1 47 GLN HE22 1 63 VAL MG1 5.731 . 5.731 3.373 1.908 5.774 0.043 17 0 "[ . 1 . 2]" 1
577 1 47 GLN HE21 1 63 VAL MG1 5.731 . 5.731 3.670 1.929 5.397 . 0 0 "[ . 1 . 2]" 1
578 1 48 VAL H 1 49 LEU HB2 6.050 . 6.050 5.015 4.663 5.244 . 0 0 "[ . 1 . 2]" 1
579 1 53 ASN QB 1 55 VAL H 5.412 . 5.412 2.896 2.403 3.467 . 0 0 "[ . 1 . 2]" 1
580 1 53 ASN QB 1 56 ILE H 5.863 . 5.863 4.787 3.628 5.666 . 0 0 "[ . 1 . 2]" 1
581 1 59 ARG H 1 60 LYS HB2 5.214 . 5.214 4.699 4.330 5.060 . 0 0 "[ . 1 . 2]" 1
582 1 60 LYS H 1 61 VAL MG2 5.214 . 5.214 4.286 4.103 4.428 . 0 0 "[ . 1 . 2]" 1
583 1 56 ILE MG 1 60 LYS H 5.016 . 5.016 3.261 3.073 3.436 . 0 0 "[ . 1 . 2]" 1
584 1 14 LEU MD1 1 15 GLU H 5.500 . 5.500 4.797 4.416 5.260 . 0 0 "[ . 1 . 2]" 1
585 1 14 LEU MD2 1 15 GLU H 5.808 . 5.808 4.657 4.508 4.734 . 0 0 "[ . 1 . 2]" 1
586 1 22 THR MG 1 61 VAL H 5.445 . 5.445 3.887 3.344 4.377 . 0 0 "[ . 1 . 2]" 1
587 1 22 THR MG 1 65 LEU H 6.050 . 6.050 5.061 4.517 5.456 . 0 0 "[ . 1 . 2]" 1
588 1 60 LYS H 1 62 GLY H 5.148 . 5.148 4.197 3.896 4.451 . 0 0 "[ . 1 . 2]" 1
589 1 22 THR HB 1 62 GLY H 5.291 . 5.291 3.468 3.157 3.846 . 0 0 "[ . 1 . 2]" 1
590 1 58 LYS HA 1 62 GLY H 5.522 . 5.522 4.656 3.998 5.333 . 0 0 "[ . 1 . 2]" 1
591 1 62 GLY H 1 64 LEU HB3 6.050 . 6.050 4.888 4.661 5.114 . 0 0 "[ . 1 . 2]" 1
592 1 62 GLY H 1 65 LEU MD1 5.291 . 5.291 4.664 4.325 5.085 . 0 0 "[ . 1 . 2]" 1
593 1 63 VAL H 1 64 LEU HB2 5.467 . 5.467 4.942 4.729 5.096 . 0 0 "[ . 1 . 2]" 1
594 1 63 VAL H 1 64 LEU HB3 5.445 . 5.445 4.812 4.661 4.967 . 0 0 "[ . 1 . 2]" 1
595 1 63 VAL H 1 65 LEU HB2 5.665 . 5.665 5.444 5.044 5.725 0.060 5 0 "[ . 1 . 2]" 1
596 1 60 LYS HA 1 64 LEU H 5.335 . 5.335 4.003 3.512 4.395 . 0 0 "[ . 1 . 2]" 1
597 1 63 VAL HA 1 67 ILE H 5.863 . 5.863 4.490 4.263 4.831 . 0 0 "[ . 1 . 2]" 1
598 1 64 LEU HG 1 67 ILE H 5.643 . 5.643 5.287 4.978 5.586 . 0 0 "[ . 1 . 2]" 1
599 1 64 LEU HA 1 66 ASP H 5.203 . 5.203 4.459 4.267 4.649 . 0 0 "[ . 1 . 2]" 1
600 1 65 LEU MD1 1 66 ASP H 5.148 . 5.148 4.555 4.395 4.803 . 0 0 "[ . 1 . 2]" 1
601 1 65 LEU HA 1 69 GLN H 5.929 . 5.929 4.155 3.959 4.346 . 0 0 "[ . 1 . 2]" 1
602 1 69 GLN H 1 69 GLN HG3 4.994 . 4.994 3.737 2.090 4.627 . 0 0 "[ . 1 . 2]" 1
603 1 67 ILE MG 1 69 GLN H 5.819 . 5.819 4.986 4.782 5.246 . 0 0 "[ . 1 . 2]" 1
604 1 68 LEU MD1 1 69 GLN H 6.050 . 6.050 4.788 4.404 5.016 . 0 0 "[ . 1 . 2]" 1
605 1 68 LEU MD2 1 69 GLN H 5.181 . 5.181 4.767 4.629 4.867 . 0 0 "[ . 1 . 2]" 1
606 1 68 LEU HA 1 70 ARG H 5.412 . 5.412 3.948 3.615 4.273 . 0 0 "[ . 1 . 2]" 1
607 1 70 ARG H 1 70 ARG HD2 6.050 . 6.050 4.255 2.490 5.165 . 0 0 "[ . 1 . 2]" 1
608 1 70 ARG H 1 70 ARG HD3 6.050 . 6.050 4.257 2.819 5.153 . 0 0 "[ . 1 . 2]" 1
609 1 67 ILE MG 1 70 ARG H 5.258 . 5.258 4.671 4.299 4.900 . 0 0 "[ . 1 . 2]" 1
610 1 68 LEU MD2 1 70 ARG H 5.940 . 5.940 5.473 5.199 5.729 . 0 0 "[ . 1 . 2]" 1
611 1 70 ARG H 1 72 GLY H 5.544 . 5.544 4.134 3.840 4.393 . 0 0 "[ . 1 . 2]" 1
612 1 7 ASP HB2 1 72 GLY H 6.050 . 6.050 5.374 4.296 6.199 0.149 2 0 "[ . 1 . 2]" 1
613 1 7 ASP HB3 1 72 GLY H 6.050 . 6.050 5.059 3.510 5.801 . 0 0 "[ . 1 . 2]" 1
614 1 73 HIS HD2 1 74 LYS H 5.874 . 5.874 4.999 4.466 6.103 0.229 16 0 "[ . 1 . 2]" 1
615 1 74 LYS H 1 77 VAL MG2 5.566 . 5.566 4.404 3.997 4.652 . 0 0 "[ . 1 . 2]" 1
616 1 71 THR MG 1 75 GLY H 5.181 . 5.181 3.971 3.093 4.619 . 0 0 "[ . 1 . 2]" 1
617 1 74 LYS H 1 76 TYR H 5.412 . 5.412 4.104 3.861 4.400 . 0 0 "[ . 1 . 2]" 1
618 1 74 LYS HA 1 76 TYR H 5.390 . 5.390 4.329 4.180 4.557 . 0 0 "[ . 1 . 2]" 1
619 1 76 TYR H 1 77 VAL HA 6.050 . 6.050 5.348 5.236 5.462 . 0 0 "[ . 1 . 2]" 1
620 1 75 GLY HA2 1 78 ALA H 4.950 . 4.950 3.590 3.294 3.801 . 0 0 "[ . 1 . 2]" 1
621 1 77 VAL H 1 80 LEU H 5.390 . 5.390 4.754 4.664 4.867 . 0 0 "[ . 1 . 2]" 1
622 1 76 TYR QE 1 80 LEU H 6.050 . 6.050 5.691 5.278 6.015 . 0 0 "[ . 1 . 2]" 1
623 1 80 LEU H 1 81 GLU HB2 5.698 . 5.698 4.862 4.749 5.023 . 0 0 "[ . 1 . 2]" 1
624 1 77 VAL HA 1 81 GLU H 4.994 . 4.994 4.236 4.111 4.358 . 0 0 "[ . 1 . 2]" 1
625 1 78 ALA MB 1 82 SER H 4.829 . 4.829 4.551 4.388 4.623 . 0 0 "[ . 1 . 2]" 1
626 1 82 SER H 1 83 LEU MD1 6.050 . 6.050 5.593 5.302 5.802 . 0 0 "[ . 1 . 2]" 1
627 1 82 SER H 1 85 LEU MD1 5.720 . 5.720 5.501 4.965 5.787 0.067 17 0 "[ . 1 . 2]" 1
628 1 33 TYR QE 1 83 LEU H 5.709 . 5.709 5.204 5.002 5.711 0.002 20 0 "[ . 1 . 2]" 1
629 1 83 LEU H 1 91 TYR QD 6.050 . 6.050 4.343 4.039 4.662 . 0 0 "[ . 1 . 2]" 1
630 1 79 PHE HA 1 83 LEU H 5.280 . 5.280 4.281 4.070 4.485 . 0 0 "[ . 1 . 2]" 1
631 1 82 SER HB2 1 83 LEU H 5.060 . 5.060 3.779 2.542 4.021 . 0 0 "[ . 1 . 2]" 1
632 1 81 GLU HA 1 83 LEU H 5.291 . 5.291 4.423 4.113 4.710 . 0 0 "[ . 1 . 2]" 1
633 1 83 LEU H 1 84 GLU HB3 5.786 . 5.786 5.088 4.784 5.911 0.125 15 0 "[ . 1 . 2]" 1
634 1 80 LEU HB2 1 83 LEU H 6.050 . 6.050 5.646 5.457 5.911 . 0 0 "[ . 1 . 2]" 1
635 1 84 GLU H 1 91 TYR HA 5.302 . 5.302 5.086 4.895 5.327 0.025 15 0 "[ . 1 . 2]" 1
636 1 83 LEU MD1 1 84 GLU H 4.917 . 4.917 4.419 4.190 4.763 . 0 0 "[ . 1 . 2]" 1
637 1 85 LEU H 1 87 TYR H 4.906 . 4.906 4.166 3.916 4.421 . 0 0 "[ . 1 . 2]" 1
638 1 83 LEU HA 1 85 LEU H 5.126 . 5.126 4.405 4.232 4.556 . 0 0 "[ . 1 . 2]" 1
639 1 81 GLU HA 1 85 LEU H 4.983 . 4.983 4.030 3.695 4.202 . 0 0 "[ . 1 . 2]" 1
640 1 85 LEU H 1 88 PRO HD3 6.006 . 6.006 5.598 4.993 6.056 0.050 1 0 "[ . 1 . 2]" 1
641 1 85 LEU H 1 86 TYR QB 5.082 . 5.082 4.770 4.653 4.910 . 0 0 "[ . 1 . 2]" 1
642 1 84 GLU H 1 86 TYR H 5.423 . 5.423 4.555 4.286 4.664 . 0 0 "[ . 1 . 2]" 1
643 1 86 TYR H 1 88 PRO HD3 5.115 . 5.115 4.432 4.003 4.898 . 0 0 "[ . 1 . 2]" 1
644 1 84 GLU HB3 1 86 TYR H 6.050 . 6.050 5.461 5.195 5.813 . 0 0 "[ . 1 . 2]" 1
645 1 85 LEU MD2 1 86 TYR H 5.236 . 5.236 3.579 3.469 3.807 . 0 0 "[ . 1 . 2]" 1
646 1 84 GLU HA 1 87 TYR H 5.544 . 5.544 4.767 4.364 4.979 . 0 0 "[ . 1 . 2]" 1
647 1 83 LEU HB3 1 87 TYR H 5.247 . 5.247 4.627 4.363 4.881 . 0 0 "[ . 1 . 2]" 1
648 1 85 LEU HB3 1 87 TYR H 5.445 . 5.445 4.859 4.703 4.946 . 0 0 "[ . 1 . 2]" 1
649 1 85 LEU MD2 1 87 TYR H 5.423 . 5.423 5.316 5.156 5.493 0.070 19 0 "[ . 1 . 2]" 1
650 1 90 LEU H 1 91 TYR HA 5.896 . 5.896 5.253 4.993 5.417 . 0 0 "[ . 1 . 2]" 1
651 1 90 LEU H 1 91 TYR HB3 5.214 . 5.214 4.699 4.506 4.903 . 0 0 "[ . 1 . 2]" 1
652 1 83 LEU MD2 1 90 LEU H 5.566 . 5.566 5.057 4.414 5.583 0.017 17 0 "[ . 1 . 2]" 1
653 1 84 GLU HA 1 91 TYR H 5.126 . 5.126 4.776 4.342 5.250 0.124 15 0 "[ . 1 . 2]" 1
654 1 92 LYS H 1 94 VAL MG2 5.489 . 5.489 5.163 4.741 5.391 . 0 0 "[ . 1 . 2]" 1
655 1 91 TYR H 1 93 LYS H 5.192 . 5.192 4.206 4.044 4.317 . 0 0 "[ . 1 . 2]" 1
656 1 91 TYR HB3 1 93 LYS H 5.555 . 5.555 4.873 4.741 5.077 . 0 0 "[ . 1 . 2]" 1
657 1 90 LEU MD1 1 93 LYS H 5.456 . 5.456 4.454 4.161 4.925 . 0 0 "[ . 1 . 2]" 1
658 1 83 LEU MD1 1 93 LYS H 6.050 . 6.050 5.681 5.478 5.918 . 0 0 "[ . 1 . 2]" 1
659 1 93 LYS HG2 1 94 VAL H 5.676 . 5.676 4.262 3.392 5.142 . 0 0 "[ . 1 . 2]" 1
660 1 93 LYS HG3 1 94 VAL H 5.676 . 5.676 4.585 3.530 5.089 . 0 0 "[ . 1 . 2]" 1
661 1 21 LEU MD2 1 94 VAL H 5.269 . 5.269 4.857 4.470 5.081 . 0 0 "[ . 1 . 2]" 1
662 1 94 VAL H 1 95 THR MG 4.884 . 4.884 4.095 3.849 4.297 . 0 0 "[ . 1 . 2]" 1
663 1 90 LEU MD1 1 94 VAL H 5.280 . 5.280 3.968 3.802 4.158 . 0 0 "[ . 1 . 2]" 1
664 1 92 LYS QB 1 95 THR H 6.050 . 6.050 5.358 5.023 5.692 . 0 0 "[ . 1 . 2]" 1
665 1 92 LYS QB 1 96 GLY H 5.115 . 5.115 4.836 4.176 5.058 . 0 0 "[ . 1 . 2]" 1
666 1 94 VAL HA 1 96 GLY H 5.280 . 5.280 4.500 4.006 5.429 0.149 19 0 "[ . 1 . 2]" 1
667 1 94 VAL MG2 1 96 GLY H 5.940 . 5.940 5.271 5.081 5.667 . 0 0 "[ . 1 . 2]" 1
668 1 94 VAL MG1 1 96 GLY H 6.050 . 6.050 5.037 4.841 5.539 . 0 0 "[ . 1 . 2]" 1
669 1 28 SER H 1 49 LEU MD2 4.895 . 4.895 4.364 3.924 4.821 . 0 0 "[ . 1 . 2]" 1
670 1 11 TRP HE3 1 76 TYR HA 5.918 . 5.918 5.365 4.880 5.978 0.060 8 0 "[ . 1 . 2]" 1
671 1 30 ILE MG 1 33 TYR QD 4.070 . 4.070 3.988 3.372 4.159 0.089 11 0 "[ . 1 . 2]" 1
672 1 79 PHE HZ 1 83 LEU MD1 4.785 . 4.785 3.305 2.858 3.791 . 0 0 "[ . 1 . 2]" 1
673 1 79 PHE HZ 1 94 VAL MG1 5.280 . 5.280 4.177 3.449 4.776 . 0 0 "[ . 1 . 2]" 1
674 1 11 TRP HZ3 1 14 LEU MD1 4.499 . 4.499 2.879 2.350 3.719 . 0 0 "[ . 1 . 2]" 1
675 1 86 TYR QB 1 87 TYR QE 4.433 . 4.433 3.211 2.799 3.673 . 0 0 "[ . 1 . 2]" 1
676 1 30 ILE MG 1 86 TYR QE 4.400 . 4.400 2.984 2.655 3.164 . 0 0 "[ . 1 . 2]" 1
677 1 85 LEU MD1 1 86 TYR QE 4.103 . 4.103 2.578 2.349 2.837 . 0 0 "[ . 1 . 2]" 1
678 1 24 VAL MG1 1 87 TYR QE 4.367 . 4.367 3.505 2.923 4.262 . 0 0 "[ . 1 . 2]" 1
679 1 83 LEU MD2 1 87 TYR QE 5.445 . 5.445 4.418 3.701 5.540 0.095 6 0 "[ . 1 . 2]" 1
680 1 39 VAL HA 1 71 THR MG 4.532 . 4.532 2.350 1.655 3.123 . 0 0 "[ . 1 . 2]" 1
681 1 79 PHE HA 1 79 PHE QD 3.894 . 3.894 2.677 2.418 3.055 . 0 0 "[ . 1 . 2]" 1
682 1 34 LEU MD2 1 79 PHE HA 3.883 . 3.883 3.568 3.113 3.929 0.046 18 0 "[ . 1 . 2]" 1
683 1 12 SER HA 1 15 GLU QG 4.741 . 4.741 3.484 1.894 4.620 . 0 0 "[ . 1 . 2]" 1
684 1 28 SER HA 1 31 THR H 4.675 . 4.675 3.557 3.317 3.883 . 0 0 "[ . 1 . 2]" 1
685 1 11 TRP HA 1 11 TRP HE3 4.092 . 4.092 2.845 2.376 3.135 . 0 0 "[ . 1 . 2]" 1
686 1 28 SER HA 1 49 LEU MD2 3.938 . 3.938 2.421 1.978 3.188 . 0 0 "[ . 1 . 2]" 1
687 1 33 TYR QD 1 82 SER HA 4.642 . 4.642 3.690 3.060 4.144 . 0 0 "[ . 1 . 2]" 1
688 1 33 TYR HA 1 33 TYR QD 4.257 . 4.257 2.524 2.291 2.764 . 0 0 "[ . 1 . 2]" 1
689 1 88 PRO HA 1 91 TYR HB3 4.070 . 4.070 2.741 2.009 3.429 . 0 0 "[ . 1 . 2]" 1
690 1 84 GLU HA 1 88 PRO HA 4.378 . 4.378 2.700 2.164 3.218 . 0 0 "[ . 1 . 2]" 1
691 1 42 PRO HA 1 45 GLU H 4.664 . 4.664 3.595 3.376 4.070 . 0 0 "[ . 1 . 2]" 1
692 1 31 THR HA 1 34 LEU HG 5.115 . 5.115 3.545 3.221 4.024 . 0 0 "[ . 1 . 2]" 1
693 1 20 THR HA 1 24 VAL MG2 5.368 . 5.368 3.325 3.012 3.580 . 0 0 "[ . 1 . 2]" 1
694 1 63 VAL HA 1 66 ASP HB2 4.697 . 4.697 3.498 2.888 4.019 . 0 0 "[ . 1 . 2]" 1
695 1 63 VAL HA 1 66 ASP HB3 4.697 . 4.697 3.013 2.031 4.511 . 0 0 "[ . 1 . 2]" 1
696 1 19 VAL HA 1 19 VAL MG2 3.751 . 3.751 2.642 2.398 3.265 . 0 0 "[ . 1 . 2]" 1
697 1 61 VAL HA 1 64 LEU HB2 4.026 . 4.026 2.874 2.396 3.284 . 0 0 "[ . 1 . 2]" 1
698 1 27 PRO HG3 1 61 VAL HA 5.357 . 5.357 3.479 2.573 4.007 . 0 0 "[ . 1 . 2]" 1
699 1 61 VAL HA 1 64 LEU HB3 4.444 . 4.444 2.256 1.954 2.702 . 0 0 "[ . 1 . 2]" 1
700 1 77 VAL HA 1 80 LEU HB2 4.576 . 4.576 2.931 2.678 3.234 . 0 0 "[ . 1 . 2]" 1
701 1 25 ILE HA 1 25 ILE HG13 4.356 . 4.356 3.037 2.977 3.108 . 0 0 "[ . 1 . 2]" 1
702 1 94 VAL HA 1 94 VAL MG1 3.597 . 3.597 2.479 2.434 2.541 . 0 0 "[ . 1 . 2]" 1
703 1 25 ILE HA 1 25 ILE HG12 4.136 . 4.136 2.632 2.559 2.681 . 0 0 "[ . 1 . 2]" 1
704 1 84 GLU HA 1 91 TYR QD 4.774 . 4.774 3.585 3.232 3.978 . 0 0 "[ . 1 . 2]" 1
705 1 84 GLU HA 1 91 TYR HB3 4.246 . 4.246 3.168 2.871 3.614 . 0 0 "[ . 1 . 2]" 1
706 1 84 GLU HA 1 91 TYR HB2 4.191 . 4.191 2.852 2.594 3.273 . 0 0 "[ . 1 . 2]" 1
707 1 91 TYR HA 1 95 THR H 5.555 . 5.555 4.106 3.810 4.404 . 0 0 "[ . 1 . 2]" 1
708 1 91 TYR HA 1 91 TYR QD 4.466 . 4.466 2.697 2.372 3.015 . 0 0 "[ . 1 . 2]" 1
709 1 18 ARG HA 1 21 LEU HB2 4.609 . 4.609 2.417 1.802 2.809 . 0 0 "[ . 1 . 2]" 1
710 1 18 ARG HA 1 21 LEU MD1 4.081 . 4.081 2.333 1.990 2.904 . 0 0 "[ . 1 . 2]" 1
711 1 18 ARG HA 1 65 LEU MD1 4.818 . 4.818 3.424 2.652 3.955 . 0 0 "[ . 1 . 2]" 1
712 1 91 TYR HA 1 94 VAL MG2 3.883 . 3.883 3.363 2.589 3.726 . 0 0 "[ . 1 . 2]" 1
713 1 23 SER HB2 1 24 VAL MG2 4.697 . 4.697 3.922 2.772 4.554 . 0 0 "[ . 1 . 2]" 1
714 1 23 SER HB3 1 24 VAL MG2 4.697 . 4.697 3.414 2.533 4.688 . 0 0 "[ . 1 . 2]" 1
715 1 13 VAL HA 1 13 VAL MG1 3.751 . 3.751 2.477 2.377 2.540 . 0 0 "[ . 1 . 2]" 1
716 1 86 TYR HA 1 86 TYR QD 4.015 . 4.015 3.009 2.660 3.176 . 0 0 "[ . 1 . 2]" 1
717 1 35 ARG HA 1 35 ARG HD2 4.675 . 4.675 3.005 2.088 4.500 . 0 0 "[ . 1 . 2]" 1
718 1 35 ARG HA 1 40 LEU HB3 4.169 . 4.169 2.893 2.589 3.424 . 0 0 "[ . 1 . 2]" 1
719 1 35 ARG HA 1 40 LEU HB2 4.796 . 4.796 4.275 3.870 4.816 0.020 18 0 "[ . 1 . 2]" 1
720 1 17 PHE HA 1 17 PHE QD 4.180 . 4.180 2.853 2.621 3.142 . 0 0 "[ . 1 . 2]" 1
721 1 87 TYR HA 1 87 TYR QD 4.279 . 4.279 2.747 2.497 3.068 . 0 0 "[ . 1 . 2]" 1
722 1 17 PHE HA 1 20 THR HB 4.862 . 4.862 3.738 3.043 4.171 . 0 0 "[ . 1 . 2]" 1
723 1 87 TYR HA 1 88 PRO HD2 3.806 . 3.806 2.503 2.114 3.022 . 0 0 "[ . 1 . 2]" 1
724 1 87 TYR HA 1 88 PRO HD3 4.202 . 4.202 2.806 2.374 3.277 . 0 0 "[ . 1 . 2]" 1
725 1 43 ASP HA 1 46 GLU QB 3.806 . 3.806 2.888 2.246 3.716 . 0 0 "[ . 1 . 2]" 1
726 1 78 ALA HA 1 82 SER H 5.599 . 5.599 4.002 3.793 4.142 . 0 0 "[ . 1 . 2]" 1
727 1 33 TYR QE 1 78 ALA HA 4.598 . 4.598 3.662 2.705 4.565 . 0 0 "[ . 1 . 2]" 1
728 1 78 ALA HA 1 81 GLU HB2 4.147 . 4.147 2.567 2.260 2.794 . 0 0 "[ . 1 . 2]" 1
729 1 77 VAL MG1 1 78 ALA HA 4.499 . 4.499 3.550 3.417 3.714 . 0 0 "[ . 1 . 2]" 1
730 1 14 LEU HA 1 17 PHE QD 4.686 . 4.686 2.830 1.825 3.622 . 0 0 "[ . 1 . 2]" 1
731 1 14 LEU HA 1 17 PHE HB3 5.808 . 5.808 4.880 4.248 5.426 . 0 0 "[ . 1 . 2]" 1
732 1 51 ASP HA 1 52 PRO HD2 3.806 . 3.806 2.251 2.022 2.735 . 0 0 "[ . 1 . 2]" 1
733 1 51 ASP HA 1 52 PRO HD3 3.806 . 3.806 2.495 2.030 2.863 . 0 0 "[ . 1 . 2]" 1
734 1 41 ASN HA 1 42 PRO QD 3.399 . 3.399 2.250 2.064 2.346 . 0 0 "[ . 1 . 2]" 1
735 1 6 ASN HA 1 7 ASP HA 5.082 . 5.082 4.556 4.383 4.777 . 0 0 "[ . 1 . 2]" 1
736 1 40 LEU HA 1 40 LEU MD1 3.674 . 3.674 2.283 2.067 3.650 . 0 0 "[ . 1 . 2]" 1
737 1 68 LEU HA 1 68 LEU HG 4.224 . 4.224 3.202 3.106 3.353 . 0 0 "[ . 1 . 2]" 1
738 1 34 LEU HA 1 37 CYS HB2 4.961 . 4.961 3.201 2.047 3.828 . 0 0 "[ . 1 . 2]" 1
739 1 64 LEU HA 1 67 ILE HB 4.070 . 4.070 2.673 2.281 3.252 . 0 0 "[ . 1 . 2]" 1
740 1 64 LEU HA 1 64 LEU HG 4.345 . 4.345 3.164 2.968 3.287 . 0 0 "[ . 1 . 2]" 1
741 1 21 LEU HA 1 25 ILE HG13 4.433 . 4.433 2.755 2.449 3.012 . 0 0 "[ . 1 . 2]" 1
742 1 81 GLU HA 1 84 GLU HB3 4.202 . 4.202 2.802 2.078 3.503 . 0 0 "[ . 1 . 2]" 1
743 1 45 GLU HA 1 48 VAL HB 3.883 . 3.883 2.843 2.340 3.179 . 0 0 "[ . 1 . 2]" 1
744 1 80 LEU HA 1 83 LEU HB2 4.466 . 4.466 2.687 2.454 3.286 . 0 0 "[ . 1 . 2]" 1
745 1 65 LEU HA 1 68 LEU MD1 4.147 . 4.147 2.759 2.252 3.439 . 0 0 "[ . 1 . 2]" 1
746 1 85 LEU HA 1 85 LEU HG 3.949 . 3.949 2.567 2.526 2.588 . 0 0 "[ . 1 . 2]" 1
747 1 85 LEU HA 1 85 LEU MD2 3.652 . 3.652 2.885 2.662 3.020 . 0 0 "[ . 1 . 2]" 1
748 1 26 ASP HA 1 27 PRO HD3 3.839 . 3.839 2.408 2.041 2.662 . 0 0 "[ . 1 . 2]" 1
749 1 26 ASP HA 1 27 PRO HD2 3.839 . 3.839 2.266 2.024 2.691 . 0 0 "[ . 1 . 2]" 1
750 1 39 VAL MG1 1 75 GLY HA3 5.137 . 5.137 3.472 2.814 4.031 . 0 0 "[ . 1 . 2]" 1
751 1 75 GLY HA2 1 78 ALA MB 4.510 . 4.510 2.582 2.274 2.763 . 0 0 "[ . 1 . 2]" 1
752 1 39 VAL MG1 1 75 GLY HA2 3.927 . 3.927 2.185 1.832 2.747 . 0 0 "[ . 1 . 2]" 1
753 1 41 ASN HB3 1 42 PRO QD 3.641 . 3.641 2.154 1.933 2.562 . 0 0 "[ . 1 . 2]" 1
754 1 62 GLY HA2 1 65 LEU HB2 4.763 . 4.763 3.318 2.618 3.790 . 0 0 "[ . 1 . 2]" 1
755 1 33 TYR HB3 1 86 TYR QE 5.038 . 5.038 3.685 2.998 4.279 . 0 0 "[ . 1 . 2]" 1
756 1 17 PHE HB3 1 21 LEU HG 4.565 . 4.565 2.765 2.413 3.139 . 0 0 "[ . 1 . 2]" 1
757 1 83 LEU HA 1 87 TYR HB3 5.104 . 5.104 4.537 3.915 4.894 . 0 0 "[ . 1 . 2]" 1
758 1 87 TYR HB3 1 90 LEU HB3 4.719 . 4.719 2.301 1.923 2.792 . 0 0 "[ . 1 . 2]" 1
759 1 87 TYR HB3 1 90 LEU HB2 4.653 . 4.653 2.754 2.538 3.067 . 0 0 "[ . 1 . 2]" 1
760 1 83 LEU MD2 1 87 TYR HB3 4.752 . 4.752 3.922 3.308 4.283 . 0 0 "[ . 1 . 2]" 1
761 1 41 ASN HB2 1 42 PRO QD 3.949 . 3.949 3.591 3.382 3.875 . 0 0 "[ . 1 . 2]" 1
762 1 81 GLU H 1 81 GLU HG2 4.345 . 4.345 3.105 2.252 3.774 . 0 0 "[ . 1 . 2]" 1
763 1 91 TYR H 1 91 TYR HB2 4.312 . 4.312 2.555 2.473 2.655 . 0 0 "[ . 1 . 2]" 1
764 1 91 TYR HB2 1 92 LYS H 4.653 . 4.653 3.823 3.738 3.957 . 0 0 "[ . 1 . 2]" 1
765 1 88 PRO HA 1 91 TYR HB2 4.499 . 4.499 3.292 2.648 3.798 . 0 0 "[ . 1 . 2]" 1
766 1 34 LEU HA 1 37 CYS HB3 4.961 . 4.961 2.978 2.364 4.338 . 0 0 "[ . 1 . 2]" 1
767 1 37 CYS HB2 1 78 ALA MB 4.587 . 4.587 3.300 2.676 3.820 . 0 0 "[ . 1 . 2]" 1
768 1 37 CYS HB3 1 39 VAL MG1 4.675 . 4.675 3.032 2.537 3.435 . 0 0 "[ . 1 . 2]" 1
769 1 34 LEU HB3 1 39 VAL MG2 3.960 . 3.960 2.221 1.990 2.466 . 0 0 "[ . 1 . 2]" 1
770 1 11 TRP HZ2 1 68 LEU HB3 4.752 . 4.752 3.227 2.476 3.906 . 0 0 "[ . 1 . 2]" 1
771 1 80 LEU HB3 1 91 TYR QE 4.367 . 4.367 1.834 1.680 2.131 . 0 0 "[ . 1 . 2]" 1
772 1 64 LEU HB3 1 65 LEU HB2 5.819 . 5.819 5.069 4.809 5.307 . 0 0 "[ . 1 . 2]" 1
773 1 64 LEU HB3 1 67 ILE HB 6.050 . 6.050 5.355 4.943 5.885 . 0 0 "[ . 1 . 2]" 1
774 1 83 LEU MD2 1 90 LEU HB2 4.884 . 4.884 4.257 3.885 4.548 . 0 0 "[ . 1 . 2]" 1
775 1 65 LEU HA 1 68 LEU HB2 4.741 . 4.741 2.762 2.263 3.265 . 0 0 "[ . 1 . 2]" 1
776 1 87 TYR HB2 1 90 LEU HB3 4.719 . 4.719 2.549 2.300 2.849 . 0 0 "[ . 1 . 2]" 1
777 1 83 LEU HB2 1 91 TYR QD 4.587 . 4.587 2.039 1.779 2.333 . 0 0 "[ . 1 . 2]" 1
778 1 83 LEU HB2 1 91 TYR HB2 4.675 . 4.675 2.909 2.556 3.308 . 0 0 "[ . 1 . 2]" 1
779 1 34 LEU HB2 1 40 LEU HB2 4.488 . 4.488 2.508 2.303 2.789 . 0 0 "[ . 1 . 2]" 1
780 1 34 LEU HB2 1 39 VAL MG2 4.576 . 4.576 3.693 3.447 3.920 . 0 0 "[ . 1 . 2]" 1
781 1 34 LEU HB2 1 40 LEU MD1 4.785 . 4.785 3.478 2.169 4.063 . 0 0 "[ . 1 . 2]" 1
782 1 21 LEU H 1 21 LEU HB3 4.136 . 4.136 3.614 3.582 3.638 . 0 0 "[ . 1 . 2]" 1
783 1 25 ILE HB 1 61 VAL MG2 4.367 . 4.367 2.515 2.065 3.344 . 0 0 "[ . 1 . 2]" 1
784 1 15 GLU QG 1 16 GLY H 5.137 . 5.137 3.749 2.283 4.490 . 0 0 "[ . 1 . 2]" 1
785 1 46 GLU H 1 46 GLU HG3 4.972 . 4.972 4.289 3.629 4.531 . 0 0 "[ . 1 . 2]" 1
786 1 45 GLU HG2 1 49 LEU HG 4.620 . 4.620 3.145 2.646 3.502 . 0 0 "[ . 1 . 2]" 1
787 1 45 GLU HG2 1 49 LEU MD1 4.224 . 4.224 2.141 1.948 2.483 . 0 0 "[ . 1 . 2]" 1
788 1 45 GLU HG3 1 49 LEU MD1 4.202 . 4.202 2.743 2.548 2.952 . 0 0 "[ . 1 . 2]" 1
789 1 55 VAL HB 1 56 ILE H 4.565 . 4.565 3.404 2.390 4.278 . 0 0 "[ . 1 . 2]" 1
790 1 93 LYS H 1 93 LYS HB2 4.213 . 4.213 2.530 2.353 2.636 . 0 0 "[ . 1 . 2]" 1
791 1 27 PRO QB 1 61 VAL MG2 4.037 . 4.037 2.539 2.075 3.705 . 0 0 "[ . 1 . 2]" 1
792 1 14 LEU MD2 1 94 VAL HB 4.741 . 4.741 4.308 3.865 4.683 . 0 0 "[ . 1 . 2]" 1
793 1 21 LEU MD2 1 94 VAL HB 5.104 . 5.104 3.936 3.366 4.349 . 0 0 "[ . 1 . 2]" 1
794 1 26 ASP HB3 1 29 ARG QB 5.016 . 5.016 2.410 1.970 3.134 . 0 0 "[ . 1 . 2]" 1
795 1 60 LYS HA 1 63 VAL HB 4.466 . 4.466 2.798 2.037 3.329 . 0 0 "[ . 1 . 2]" 1
796 1 15 GLU H 1 15 GLU HB2 4.367 . 4.367 2.584 2.317 3.658 . 0 0 "[ . 1 . 2]" 1
797 1 44 ASP HA 1 47 GLN QB 4.609 . 4.609 2.535 2.188 3.284 . 0 0 "[ . 1 . 2]" 1
798 1 47 GLN QB 1 48 VAL MG2 4.004 . 4.004 3.137 2.864 3.552 . 0 0 "[ . 1 . 2]" 1
799 1 90 LEU HG 1 94 VAL MG2 4.620 . 4.620 2.423 2.127 2.656 . 0 0 "[ . 1 . 2]" 1
800 1 67 ILE H 1 67 ILE HG12 4.367 . 4.367 3.488 2.206 4.026 . 0 0 "[ . 1 . 2]" 1
801 1 67 ILE HA 1 67 ILE HG12 4.378 . 4.378 2.699 2.537 3.636 . 0 0 "[ . 1 . 2]" 1
802 1 40 LEU MD1 1 45 GLU HB2 6.050 . 6.050 4.044 3.569 4.603 . 0 0 "[ . 1 . 2]" 1
803 1 45 GLU HB2 1 49 LEU MD1 6.050 . 6.050 4.598 4.439 4.783 . 0 0 "[ . 1 . 2]" 1
804 1 45 GLU H 1 45 GLU HB2 4.103 . 4.103 2.523 2.378 2.702 . 0 0 "[ . 1 . 2]" 1
805 1 92 LYS H 1 92 LYS HG2 4.510 . 4.510 3.147 2.063 4.078 . 0 0 "[ . 1 . 2]" 1
806 1 69 GLN H 1 69 GLN HB3 4.268 . 4.268 2.865 2.424 3.661 . 0 0 "[ . 1 . 2]" 1
807 1 25 ILE HG13 1 90 LEU MD2 4.477 . 4.477 2.325 2.117 2.648 . 0 0 "[ . 1 . 2]" 1
808 1 30 ILE H 1 34 LEU MD1 5.038 . 5.038 4.906 4.471 5.111 0.073 12 0 "[ . 1 . 2]" 1
809 1 33 TYR QD 1 34 LEU MD1 5.335 . 5.335 4.601 4.286 5.123 . 0 0 "[ . 1 . 2]" 1
810 1 27 PRO HA 1 34 LEU MD1 4.345 . 4.345 3.977 3.200 4.353 0.008 5 0 "[ . 1 . 2]" 1
811 1 31 THR HA 1 34 LEU MD1 4.576 . 4.576 2.923 2.367 3.424 . 0 0 "[ . 1 . 2]" 1
812 1 30 ILE HG13 1 34 LEU MD1 3.685 . 3.685 2.343 2.080 2.434 . 0 0 "[ . 1 . 2]" 1
813 1 67 ILE HA 1 67 ILE HG13 4.378 . 4.378 3.023 2.375 3.797 . 0 0 "[ . 1 . 2]" 1
814 1 25 ILE HG12 1 83 LEU MD2 4.268 . 4.268 2.566 2.096 2.936 . 0 0 "[ . 1 . 2]" 1
815 1 21 LEU MD1 1 79 PHE QE 4.587 . 4.587 2.733 2.388 3.075 . 0 0 "[ . 1 . 2]" 1
816 1 21 LEU MD1 1 79 PHE HZ 4.752 . 4.752 1.993 1.749 2.231 . 0 0 "[ . 1 . 2]" 1
817 1 17 PHE HB3 1 21 LEU MD1 4.510 . 4.510 3.499 3.030 3.943 . 0 0 "[ . 1 . 2]" 1
818 1 17 PHE HB2 1 21 LEU MD1 4.543 . 4.543 2.645 2.201 3.103 . 0 0 "[ . 1 . 2]" 1
819 1 21 LEU HB2 1 21 LEU MD1 3.564 . 3.564 2.378 2.352 2.421 . 0 0 "[ . 1 . 2]" 1
820 1 21 LEU MD1 1 25 ILE MD 3.784 . 3.784 3.335 3.100 3.478 . 0 0 "[ . 1 . 2]" 1
821 1 21 LEU MD1 1 94 VAL MG1 3.828 . 3.828 2.857 2.475 3.211 . 0 0 "[ . 1 . 2]" 1
822 1 68 LEU MD1 1 79 PHE QD 4.103 . 4.103 2.977 2.136 3.690 . 0 0 "[ . 1 . 2]" 1
823 1 68 LEU MD1 1 79 PHE HB2 3.993 . 3.993 2.826 2.049 3.555 . 0 0 "[ . 1 . 2]" 1
824 1 65 LEU MD2 1 68 LEU MD1 4.070 . 4.070 2.627 2.054 3.389 . 0 0 "[ . 1 . 2]" 1
825 1 58 LYS HA 1 61 VAL MG2 4.290 . 4.290 3.791 2.618 4.145 . 0 0 "[ . 1 . 2]" 1
826 1 61 VAL HA 1 61 VAL MG2 3.751 . 3.751 2.496 2.452 2.571 . 0 0 "[ . 1 . 2]" 1
827 1 25 ILE MG 1 61 VAL MG2 3.718 . 3.718 2.839 2.434 3.331 . 0 0 "[ . 1 . 2]" 1
828 1 60 LYS HA 1 63 VAL MG2 4.169 . 4.169 3.092 2.396 3.848 . 0 0 "[ . 1 . 2]" 1
829 1 63 VAL HA 1 63 VAL MG2 3.542 . 3.542 2.455 2.382 2.482 . 0 0 "[ . 1 . 2]" 1
830 1 52 PRO HA 1 54 LEU MD1 4.796 . 4.796 4.132 2.849 4.917 0.121 12 0 "[ . 1 . 2]" 1
831 1 22 THR HB 1 63 VAL H 6.050 . 6.050 6.118 5.844 6.263 0.213 9 0 "[ . 1 . 2]" 1
832 1 11 TRP HZ2 1 76 TYR HA 4.928 . 4.928 3.593 2.415 4.827 . 0 0 "[ . 1 . 2]" 1
833 1 25 ILE MG 1 27 PRO HA 4.191 . 4.191 3.089 2.852 3.478 . 0 0 "[ . 1 . 2]" 1
834 1 27 PRO HA 1 30 ILE HG13 4.554 . 4.554 3.231 2.795 3.682 . 0 0 "[ . 1 . 2]" 1
835 1 22 THR HA 1 61 VAL HB 3.553 . 3.553 1.892 1.620 2.018 . 0 0 "[ . 1 . 2]" 1
836 1 32 PRO HD3 1 33 TYR H 5.775 . 5.775 3.959 3.790 4.088 . 0 0 "[ . 1 . 2]" 1
837 1 61 VAL H 1 62 GLY HA3 6.050 . 6.050 4.889 4.688 5.147 . 0 0 "[ . 1 . 2]" 1
838 1 62 GLY HA3 1 65 LEU H 6.050 . 6.050 4.863 4.524 5.208 . 0 0 "[ . 1 . 2]" 1
839 1 62 GLY HA2 1 65 LEU H 5.214 . 5.214 3.692 3.313 3.999 . 0 0 "[ . 1 . 2]" 1
840 1 11 TRP HZ2 1 75 GLY HA3 5.181 . 5.181 2.922 2.315 4.235 . 0 0 "[ . 1 . 2]" 1
841 1 11 TRP HZ2 1 75 GLY HA2 5.786 . 5.786 4.423 3.895 5.798 0.012 16 0 "[ . 1 . 2]" 1
842 1 41 ASN HA 1 42 PRO HG3 5.027 . 5.027 4.744 4.245 4.869 . 0 0 "[ . 1 . 2]" 1
843 1 51 ASP HA 1 52 PRO HG2 5.126 . 5.126 4.424 4.233 4.662 . 0 0 "[ . 1 . 2]" 1
844 1 62 GLY HA3 1 65 LEU HB2 5.379 . 5.379 4.808 4.129 5.316 . 0 0 "[ . 1 . 2]" 1
845 1 39 VAL HB 1 75 GLY HA2 5.225 . 5.225 2.794 2.358 3.551 . 0 0 "[ . 1 . 2]" 1
846 1 25 ILE HA 1 87 TYR QE 5.016 . 5.016 2.658 2.131 3.123 . 0 0 "[ . 1 . 2]" 1
847 1 33 TYR HA 1 36 GLN H 4.796 . 4.796 3.642 3.372 3.873 . 0 0 "[ . 1 . 2]" 1
848 1 91 TYR QD 1 92 LYS HA 5.225 . 5.225 3.534 2.944 4.118 . 0 0 "[ . 1 . 2]" 1
849 1 88 PRO HA 1 92 LYS H 5.137 . 5.137 4.379 3.719 4.877 . 0 0 "[ . 1 . 2]" 1
850 1 95 THR HB 1 96 GLY H 5.544 . 5.544 4.171 3.610 4.444 . 0 0 "[ . 1 . 2]" 1
851 1 77 VAL HA 1 80 LEU MD1 5.060 . 5.060 2.884 2.138 3.316 . 0 0 "[ . 1 . 2]" 1
852 1 93 LYS HA 1 94 VAL HA 5.588 . 5.588 4.830 4.784 4.914 . 0 0 "[ . 1 . 2]" 1
853 1 87 TYR HA 1 90 LEU HB3 5.973 . 5.973 4.348 4.048 4.741 . 0 0 "[ . 1 . 2]" 1
854 1 84 GLU HB3 1 85 LEU HA 5.126 . 5.126 4.468 4.222 4.610 . 0 0 "[ . 1 . 2]" 1
855 1 14 LEU HA 1 17 PHE HB2 4.961 . 4.961 3.166 2.619 3.670 . 0 0 "[ . 1 . 2]" 1
856 1 40 LEU HA 1 40 LEU HG 4.037 . 4.037 2.916 2.505 3.092 . 0 0 "[ . 1 . 2]" 1
857 1 31 THR MG 1 32 PRO HD3 5.302 . 5.302 4.228 4.064 4.336 . 0 0 "[ . 1 . 2]" 1
858 1 39 VAL HB 1 75 GLY HA3 5.687 . 5.687 3.496 3.058 4.302 . 0 0 "[ . 1 . 2]" 1
859 1 35 ARG H 1 40 LEU HB3 5.907 . 5.907 3.430 2.974 4.119 . 0 0 "[ . 1 . 2]" 1
860 1 40 LEU HB3 1 45 GLU HG3 6.050 . 6.050 5.982 5.609 6.193 0.143 13 0 "[ . 1 . 2]" 1
861 1 26 ASP HA 1 57 ARG QD 4.268 . 4.268 2.818 1.925 4.258 . 0 0 "[ . 1 . 2]" 1
862 1 85 LEU HB3 1 86 TYR QB 6.050 . 6.050 4.008 3.906 4.079 . 0 0 "[ . 1 . 2]" 1
863 1 40 LEU MD2 1 44 ASP HB2 4.301 . 4.301 3.975 3.532 4.654 0.353 15 0 "[ . 1 . 2]" 1
864 1 11 TRP HH2 1 79 PHE HB2 5.005 . 5.005 3.251 2.199 4.535 . 0 0 "[ . 1 . 2]" 1
865 1 83 LEU HB3 1 91 TYR QD 5.005 . 5.005 2.676 2.381 3.120 . 0 0 "[ . 1 . 2]" 1
866 1 80 LEU HB2 1 91 TYR QE 5.126 . 5.126 3.541 3.337 3.825 . 0 0 "[ . 1 . 2]" 1
867 1 34 LEU HB2 1 35 ARG H 5.049 . 5.049 2.814 2.621 2.947 . 0 0 "[ . 1 . 2]" 1
868 1 30 ILE HB 1 33 TYR QD 5.016 . 5.016 2.950 2.469 3.210 . 0 0 "[ . 1 . 2]" 1
869 1 83 LEU HB3 1 91 TYR HB3 4.950 . 4.950 3.675 3.459 3.937 . 0 0 "[ . 1 . 2]" 1
870 1 83 LEU HB2 1 91 TYR HB3 5.093 . 5.093 4.585 4.239 4.878 . 0 0 "[ . 1 . 2]" 1
871 1 30 ILE HB 1 33 TYR HB3 5.291 . 5.291 2.663 2.437 2.949 . 0 0 "[ . 1 . 2]" 1
872 1 11 TRP HZ2 1 68 LEU HB2 5.808 . 5.808 3.792 2.765 4.868 . 0 0 "[ . 1 . 2]" 1
873 1 11 TRP HH2 1 68 LEU HB2 5.599 . 5.599 2.671 2.031 3.618 . 0 0 "[ . 1 . 2]" 1
874 1 11 TRP HH2 1 68 LEU HB3 4.928 . 4.928 2.470 2.165 3.360 . 0 0 "[ . 1 . 2]" 1
875 1 69 GLN H 1 69 GLN HG2 4.994 . 4.994 4.003 2.361 4.617 . 0 0 "[ . 1 . 2]" 1
876 1 28 SER QB 1 49 LEU HB3 5.016 . 5.016 4.829 4.339 5.064 0.048 20 0 "[ . 1 . 2]" 1
877 1 17 PHE HB3 1 20 THR HB 4.906 . 4.906 3.060 2.571 3.774 . 0 0 "[ . 1 . 2]" 1
878 1 17 PHE HB3 1 94 VAL MG1 6.028 . 6.028 3.776 2.947 5.061 . 0 0 "[ . 1 . 2]" 1
879 1 17 PHE HB2 1 94 VAL MG1 5.225 . 5.225 3.094 2.092 4.235 . 0 0 "[ . 1 . 2]" 1
880 1 33 TYR QE 1 81 GLU HB3 4.829 . 4.829 3.347 2.206 4.060 . 0 0 "[ . 1 . 2]" 1
881 1 33 TYR QE 1 81 GLU HB2 4.554 . 4.554 2.885 2.401 3.596 . 0 0 "[ . 1 . 2]" 1
882 1 84 GLU H 1 84 GLU HG2 5.379 . 5.379 4.496 2.852 4.666 . 0 0 "[ . 1 . 2]" 1
883 1 84 GLU H 1 84 GLU HG3 5.379 . 5.379 4.472 3.835 4.576 . 0 0 "[ . 1 . 2]" 1
884 1 80 LEU HB3 1 91 TYR QD 5.148 . 5.148 3.649 3.264 4.250 . 0 0 "[ . 1 . 2]" 1
885 1 41 ASN H 1 44 ASP HB2 4.807 . 4.807 2.694 2.335 3.386 . 0 0 "[ . 1 . 2]" 1
886 1 77 VAL HA 1 80 LEU HB3 5.467 . 5.467 4.574 4.210 4.900 . 0 0 "[ . 1 . 2]" 1
887 1 65 LEU HA 1 68 LEU HB3 5.258 . 5.258 4.398 3.909 4.969 . 0 0 "[ . 1 . 2]" 1
888 1 34 LEU HB3 1 37 CYS HB3 6.050 . 6.050 4.842 4.211 6.097 0.047 1 0 "[ . 1 . 2]" 1
889 1 34 LEU HB3 1 37 CYS HB2 6.050 . 6.050 5.394 3.949 6.071 0.021 5 0 "[ . 1 . 2]" 1
890 1 41 ASN HB3 1 42 PRO HG2 4.884 . 4.884 3.694 3.357 4.688 . 0 0 "[ . 1 . 2]" 1
891 1 36 GLN HB2 1 37 CYS H 4.928 . 4.928 4.008 3.880 4.219 . 0 0 "[ . 1 . 2]" 1
892 1 36 GLN HB3 1 37 CYS H 4.928 . 4.928 3.360 2.508 4.248 . 0 0 "[ . 1 . 2]" 1
893 1 14 LEU HG 1 76 TYR QE 5.060 . 5.060 2.666 2.090 3.274 . 0 0 "[ . 1 . 2]" 1
894 1 11 TRP HH2 1 68 LEU MD1 4.609 . 4.609 2.709 2.106 3.512 . 0 0 "[ . 1 . 2]" 1
895 1 34 LEU H 1 34 LEU MD1 4.818 . 4.818 3.756 3.641 3.816 . 0 0 "[ . 1 . 2]" 1
896 1 25 ILE H 1 61 VAL MG2 5.247 . 5.247 3.860 3.228 4.316 . 0 0 "[ . 1 . 2]" 1
897 1 90 LEU H 1 90 LEU HG 5.225 . 5.225 4.513 4.466 4.569 . 0 0 "[ . 1 . 2]" 1
898 1 93 LYS H 1 94 VAL HB 5.511 . 5.511 4.892 4.532 5.047 . 0 0 "[ . 1 . 2]" 1
899 1 22 THR HA 1 25 ILE HB 5.280 . 5.280 3.754 3.318 4.196 . 0 0 "[ . 1 . 2]" 1
900 1 40 LEU MD2 1 45 GLU HB3 4.675 . 4.675 3.792 3.442 4.029 . 0 0 "[ . 1 . 2]" 1
901 1 25 ILE MG 1 30 ILE HG12 4.752 . 4.752 3.633 3.259 3.893 . 0 0 "[ . 1 . 2]" 1
902 1 79 PHE QE 1 83 LEU MD1 4.279 . 4.279 2.452 2.149 2.758 . 0 0 "[ . 1 . 2]" 1
903 1 83 LEU H 1 83 LEU MD1 4.807 . 4.807 3.783 3.658 3.868 . 0 0 "[ . 1 . 2]" 1
904 1 83 LEU MD1 1 91 TYR HA 4.389 . 4.389 2.321 2.081 2.631 . 0 0 "[ . 1 . 2]" 1
905 1 83 LEU MD1 1 90 LEU HG 4.224 . 4.224 3.273 2.627 3.781 . 0 0 "[ . 1 . 2]" 1
906 1 49 LEU HB3 1 49 LEU MD1 3.597 . 3.597 2.442 2.383 2.534 . 0 0 "[ . 1 . 2]" 1
907 1 90 LEU HB2 1 90 LEU MD1 3.553 . 3.553 2.458 2.413 2.502 . 0 0 "[ . 1 . 2]" 1
908 1 64 LEU HA 1 64 LEU MD1 3.355 . 3.355 2.173 2.056 2.269 . 0 0 "[ . 1 . 2]" 1
909 1 90 LEU HA 1 90 LEU MD1 3.586 . 3.586 2.180 2.094 2.252 . 0 0 "[ . 1 . 2]" 1
910 1 54 LEU HA 1 54 LEU MD2 4.037 . 4.037 2.917 1.963 3.842 . 0 0 "[ . 1 . 2]" 1
911 1 87 TYR HB3 1 90 LEU MD2 4.323 . 4.323 2.987 2.497 3.614 . 0 0 "[ . 1 . 2]" 1
912 1 85 LEU HA 1 85 LEU MD1 4.169 . 4.169 3.843 3.816 3.865 . 0 0 "[ . 1 . 2]" 1
913 1 83 LEU HA 1 83 LEU MD2 3.641 . 3.641 2.043 1.960 2.154 . 0 0 "[ . 1 . 2]" 1
914 1 95 THR HA 1 95 THR MG 3.586 . 3.586 3.008 2.373 3.275 . 0 0 "[ . 1 . 2]" 1
915 1 39 VAL HA 1 39 VAL MG1 3.256 . 3.256 2.390 2.360 2.438 . 0 0 "[ . 1 . 2]" 1
916 1 31 THR HA 1 31 THR MG 3.542 . 3.542 2.320 2.265 2.386 . 0 0 "[ . 1 . 2]" 1
917 1 68 LEU HA 1 71 THR MG 4.092 . 4.092 2.917 2.295 3.589 . 0 0 "[ . 1 . 2]" 1
918 1 13 VAL HA 1 13 VAL MG2 3.641 . 3.641 2.497 2.404 3.287 . 0 0 "[ . 1 . 2]" 1
919 1 34 LEU HA 1 34 LEU MD2 3.333 . 3.333 2.099 2.065 2.132 . 0 0 "[ . 1 . 2]" 1
920 1 24 VAL HA 1 24 VAL MG2 3.278 . 3.278 2.452 2.416 2.523 . 0 0 "[ . 1 . 2]" 1
921 1 48 VAL HA 1 48 VAL MG2 3.509 . 3.509 2.407 2.374 2.515 . 0 0 "[ . 1 . 2]" 1
922 1 80 LEU HA 1 80 LEU MD2 3.674 . 3.674 2.067 2.022 2.102 . 0 0 "[ . 1 . 2]" 1
923 1 65 LEU HA 1 65 LEU MD2 3.476 . 3.476 2.068 1.939 2.225 . 0 0 "[ . 1 . 2]" 1
924 1 49 LEU HA 1 49 LEU MD2 3.311 . 3.311 2.079 2.033 2.144 . 0 0 "[ . 1 . 2]" 1
925 1 22 THR MG 1 62 GLY HA2 4.103 . 4.103 2.698 2.240 3.029 . 0 0 "[ . 1 . 2]" 1
926 1 61 VAL HA 1 61 VAL MG1 3.652 . 3.652 2.449 2.380 2.489 . 0 0 "[ . 1 . 2]" 1
927 1 77 VAL HA 1 77 VAL MG1 3.707 . 3.707 2.473 2.408 2.525 . 0 0 "[ . 1 . 2]" 1
928 1 27 PRO HA 1 30 ILE MD 4.532 . 4.532 2.785 2.535 3.222 . 0 0 "[ . 1 . 2]" 1
929 1 21 LEU HB3 1 25 ILE MD 3.971 . 3.971 2.166 1.995 2.280 . 0 0 "[ . 1 . 2]" 1
930 1 25 ILE HB 1 25 ILE MD 3.542 . 3.542 2.439 2.405 2.506 . 0 0 "[ . 1 . 2]" 1
931 1 25 ILE MG 1 30 ILE MD 3.454 . 3.454 2.546 2.310 2.764 . 0 0 "[ . 1 . 2]" 1
932 1 56 ILE MD 1 59 ARG QD 4.719 . 4.719 4.276 3.928 4.795 0.076 15 0 "[ . 1 . 2]" 1
933 1 56 ILE HA 1 56 ILE MD 4.620 . 4.620 3.528 2.158 4.007 . 0 0 "[ . 1 . 2]" 1
934 1 41 ASN HB2 1 67 ILE MD 5.940 . 5.940 5.397 4.903 5.933 . 0 0 "[ . 1 . 2]" 1
935 1 25 ILE HA 1 25 ILE MD 4.488 . 4.488 3.901 3.867 3.930 . 0 0 "[ . 1 . 2]" 1
936 1 44 ASP HA 1 67 ILE MD 4.389 . 4.389 3.426 2.741 4.320 . 0 0 "[ . 1 . 2]" 1
937 1 30 ILE HA 1 30 ILE MD 4.697 . 4.697 4.239 4.201 4.258 . 0 0 "[ . 1 . 2]" 1
938 1 30 ILE MD 1 33 TYR QD 3.498 . 3.498 3.678 3.585 3.825 0.327 8 0 "[ . 1 . 2]" 1
939 1 25 ILE MD 1 79 PHE QE 3.993 . 3.993 2.260 1.954 2.756 . 0 0 "[ . 1 . 2]" 1
940 1 25 ILE MD 1 79 PHE HZ 4.136 . 4.136 2.439 2.231 2.684 . 0 0 "[ . 1 . 2]" 1
941 1 67 ILE H 1 67 ILE MD 4.631 . 4.631 3.517 2.214 3.788 . 0 0 "[ . 1 . 2]" 1
942 1 30 ILE MD 1 31 THR H 5.797 . 5.797 4.961 4.882 5.088 . 0 0 "[ . 1 . 2]" 1
943 1 25 ILE MG 1 79 PHE QE 4.433 . 4.433 3.467 3.066 3.855 . 0 0 "[ . 1 . 2]" 1
944 1 67 ILE MG 1 68 LEU HA 4.257 . 4.257 3.439 3.181 3.707 . 0 0 "[ . 1 . 2]" 1
945 1 44 ASP HB2 1 67 ILE MG 4.829 . 4.829 3.502 2.689 4.221 . 0 0 "[ . 1 . 2]" 1
946 1 44 ASP HB3 1 67 ILE MG 4.829 . 4.829 3.070 2.426 4.242 . 0 0 "[ . 1 . 2]" 1
947 1 56 ILE MG 1 58 LYS H 4.565 . 4.565 4.530 4.169 4.694 0.129 9 0 "[ . 1 . 2]" 1
948 1 30 ILE MG 1 31 THR H 4.906 . 4.906 4.353 4.284 4.420 . 0 0 "[ . 1 . 2]" 1
949 1 30 ILE MG 1 86 TYR QD 3.905 . 3.905 2.873 2.627 3.131 . 0 0 "[ . 1 . 2]" 1
950 1 30 ILE H 1 30 ILE MG 3.905 . 3.905 2.511 2.347 2.654 . 0 0 "[ . 1 . 2]" 1
951 1 30 ILE HA 1 30 ILE MG 3.696 . 3.696 2.434 2.388 2.488 . 0 0 "[ . 1 . 2]" 1
952 1 30 ILE MG 1 82 SER HB2 4.807 . 4.807 3.068 2.123 4.183 . 0 0 "[ . 1 . 2]" 1
953 1 56 ILE MG 1 59 ARG QD 4.774 . 4.774 2.455 2.189 2.897 . 0 0 "[ . 1 . 2]" 1
954 1 30 ILE MG 1 33 TYR HB2 5.214 . 5.214 4.314 3.997 4.742 . 0 0 "[ . 1 . 2]" 1
955 1 30 ILE MG 1 86 TYR QB 4.048 . 4.048 3.125 2.821 3.717 . 0 0 "[ . 1 . 2]" 1
956 1 56 ILE MG 1 59 ARG QB 3.894 . 3.894 1.944 1.657 2.467 . 0 0 "[ . 1 . 2]" 1
957 1 29 ARG QB 1 30 ILE MG 3.740 . 3.740 2.582 2.198 3.166 . 0 0 "[ . 1 . 2]" 1
958 1 14 LEU MD2 1 94 VAL MG1 3.432 . 3.432 2.129 1.801 2.278 . 0 0 "[ . 1 . 2]" 1
959 1 94 VAL H 1 94 VAL MG1 4.180 . 4.180 3.825 3.807 3.847 . 0 0 "[ . 1 . 2]" 1
960 1 93 LYS H 1 94 VAL MG2 4.499 . 4.499 3.978 3.789 4.170 . 0 0 "[ . 1 . 2]" 1
961 1 33 TYR QE 1 78 ALA MB 4.598 . 4.598 3.714 2.718 4.657 0.059 13 0 "[ . 1 . 2]" 1
962 1 65 LEU MD2 1 79 PHE QD 3.916 . 3.916 3.116 2.708 3.507 . 0 0 "[ . 1 . 2]" 1
963 1 79 PHE QD 1 80 LEU MD2 4.224 . 4.224 2.661 2.089 3.140 . 0 0 "[ . 1 . 2]" 1
964 1 80 LEU MD2 1 91 TYR QE 4.433 . 4.433 2.500 2.050 3.262 . 0 0 "[ . 1 . 2]" 1
965 1 76 TYR QE 1 80 LEU MD2 4.642 . 4.642 3.187 2.695 3.724 . 0 0 "[ . 1 . 2]" 1
966 1 91 TYR QE 1 95 THR MG 4.345 . 4.345 2.947 2.377 3.542 . 0 0 "[ . 1 . 2]" 1
967 1 91 TYR QD 1 95 THR MG 4.730 . 4.730 3.346 2.978 3.776 . 0 0 "[ . 1 . 2]" 1
968 1 33 TYR QD 1 34 LEU MD2 3.817 . 3.817 2.607 2.253 3.207 . 0 0 "[ . 1 . 2]" 1
969 1 13 VAL H 1 13 VAL MG2 3.663 . 3.663 2.121 1.970 2.262 . 0 0 "[ . 1 . 2]" 1
970 1 13 VAL H 1 13 VAL MG1 4.279 . 4.279 3.754 2.329 3.874 . 0 0 "[ . 1 . 2]" 1
971 1 83 LEU MD2 1 87 TYR HB2 4.752 . 4.752 2.780 2.138 3.133 . 0 0 "[ . 1 . 2]" 1
972 1 39 VAL MG1 1 78 ALA MB 3.366 . 3.366 2.252 2.057 2.911 . 0 0 "[ . 1 . 2]" 1
973 1 49 LEU HB3 1 49 LEU MD2 3.652 . 3.652 2.469 2.400 2.536 . 0 0 "[ . 1 . 2]" 1
974 1 64 LEU HB3 1 64 LEU MD2 3.443 . 3.443 2.351 2.314 2.383 . 0 0 "[ . 1 . 2]" 1
975 1 40 LEU HB3 1 40 LEU MD2 3.465 . 3.465 2.317 2.291 2.350 . 0 0 "[ . 1 . 2]" 1
976 1 21 LEU HB3 1 21 LEU MD2 3.509 . 3.509 2.436 2.377 2.486 . 0 0 "[ . 1 . 2]" 1
977 1 21 LEU MD2 1 83 LEU MD1 3.190 . 3.190 2.809 2.292 3.248 0.058 10 0 "[ . 1 . 2]" 1
978 1 21 LEU MD2 1 94 VAL MG1 3.421 . 3.421 2.652 1.943 3.295 . 0 0 "[ . 1 . 2]" 1
979 1 22 THR MG 1 61 VAL HB 3.531 . 3.531 2.111 1.855 2.482 . 0 0 "[ . 1 . 2]" 1
980 1 39 VAL MG1 1 71 THR MG 3.872 . 3.872 2.956 2.390 3.619 . 0 0 "[ . 1 . 2]" 1
981 1 64 LEU HB2 1 64 LEU MD2 3.619 . 3.619 2.493 2.441 2.565 . 0 0 "[ . 1 . 2]" 1
982 1 90 LEU HB3 1 90 LEU MD2 3.410 . 3.410 2.355 2.317 2.393 . 0 0 "[ . 1 . 2]" 1
983 1 40 LEU HA 1 40 LEU MD2 4.268 . 4.268 3.889 3.307 3.973 . 0 0 "[ . 1 . 2]" 1
984 1 40 LEU MD2 1 44 ASP HB3 4.301 . 4.301 4.052 2.605 4.485 0.184 19 0 "[ . 1 . 2]" 1
985 1 21 LEU HB3 1 65 LEU MD1 5.236 . 5.236 3.480 3.000 4.519 . 0 0 "[ . 1 . 2]" 1
986 1 61 VAL HB 1 65 LEU MD1 5.720 . 5.720 4.614 4.280 4.921 . 0 0 "[ . 1 . 2]" 1
987 1 40 LEU MD2 1 45 GLU HG2 4.851 . 4.851 4.203 3.976 4.488 . 0 0 "[ . 1 . 2]" 1
988 1 34 LEU HB2 1 40 LEU MD2 4.191 . 4.191 2.456 2.094 4.007 . 0 0 "[ . 1 . 2]" 1
989 1 40 LEU MD2 1 45 GLU HG3 4.466 . 4.466 2.992 2.623 3.356 . 0 0 "[ . 1 . 2]" 1
990 1 40 LEU MD2 1 45 GLU HB2 3.751 . 3.751 2.365 2.029 2.658 . 0 0 "[ . 1 . 2]" 1
991 1 49 LEU HB2 1 49 LEU MD2 3.531 . 3.531 3.249 3.237 3.258 . 0 0 "[ . 1 . 2]" 1
992 1 83 LEU MD2 1 90 LEU HB3 4.620 . 4.620 3.012 2.467 3.448 . 0 0 "[ . 1 . 2]" 1
993 1 85 LEU HB3 1 85 LEU MD2 3.597 . 3.597 2.447 2.416 2.488 . 0 0 "[ . 1 . 2]" 1
994 1 27 PRO HG2 1 48 VAL MG1 3.905 . 3.905 2.279 2.003 2.759 . 0 0 "[ . 1 . 2]" 1
995 1 31 THR MG 1 45 GLU HG3 3.487 . 3.487 2.599 2.164 3.184 . 0 0 "[ . 1 . 2]" 1
996 1 37 CYS HB2 1 39 VAL MG1 4.675 . 4.675 3.972 2.754 4.588 . 0 0 "[ . 1 . 2]" 1
997 1 39 VAL HB 1 71 THR MG 4.026 . 4.026 2.797 2.241 3.262 . 0 0 "[ . 1 . 2]" 1
998 1 77 VAL HA 1 77 VAL MG2 3.685 . 3.685 2.456 2.389 2.535 . 0 0 "[ . 1 . 2]" 1
999 1 44 ASP H 1 67 ILE MG 5.665 . 5.665 4.926 4.357 5.362 . 0 0 "[ . 1 . 2]" 1
1000 1 34 LEU MD2 1 78 ALA MB 3.212 . 3.212 2.555 2.114 3.042 . 0 0 "[ . 1 . 2]" 1
1001 1 91 TYR HB3 1 95 THR MG 5.302 . 5.302 4.756 4.509 5.170 . 0 0 "[ . 1 . 2]" 1
1002 1 22 THR MG 1 62 GLY HA3 4.059 . 4.059 2.824 2.635 3.587 . 0 0 "[ . 1 . 2]" 1
1003 1 83 LEU MD2 1 91 TYR HB2 5.082 . 5.082 4.025 3.624 4.270 . 0 0 "[ . 1 . 2]" 1
1004 1 17 PHE HB2 1 21 LEU HG 4.675 . 4.675 2.967 2.597 3.442 . 0 0 "[ . 1 . 2]" 1
1005 1 39 VAL MG1 1 71 THR HB 5.005 . 5.005 3.378 2.804 4.083 . 0 0 "[ . 1 . 2]" 1
1006 1 33 TYR QE 1 85 LEU MD1 4.422 . 4.422 2.916 2.350 3.960 . 0 0 "[ . 1 . 2]" 1
1007 1 33 TYR QD 1 85 LEU MD1 4.378 . 4.378 3.442 3.051 4.094 . 0 0 "[ . 1 . 2]" 1
1008 1 29 ARG QB 1 87 TYR QE 4.895 . 4.895 4.386 3.893 4.921 0.026 1 0 "[ . 1 . 2]" 1
1009 1 45 GLU HG2 1 46 GLU H 6.050 . 6.050 3.712 3.340 4.142 . 0 0 "[ . 1 . 2]" 1
1010 1 45 GLU HG2 1 49 LEU H 6.050 . 6.050 4.498 4.196 4.777 . 0 0 "[ . 1 . 2]" 1
1011 1 33 TYR HB2 1 86 TYR QE 5.038 . 5.038 3.302 2.451 4.117 . 0 0 "[ . 1 . 2]" 1
1012 1 11 TRP HH2 1 79 PHE HB3 5.181 . 5.181 4.165 3.267 4.934 . 0 0 "[ . 1 . 2]" 1
1013 1 65 LEU H 1 65 LEU MD2 4.532 . 4.532 3.230 2.746 3.442 . 0 0 "[ . 1 . 2]" 1
1014 1 11 TRP HE3 1 14 LEU MD1 4.433 . 4.433 2.268 1.711 3.589 . 0 0 "[ . 1 . 2]" 1
1015 1 36 GLN HG2 1 37 CYS HA 6.050 . 6.050 4.845 3.725 6.113 0.063 14 0 "[ . 1 . 2]" 1
1016 1 36 GLN HG3 1 37 CYS HA 6.050 . 6.050 4.818 3.691 6.068 0.018 5 0 "[ . 1 . 2]" 1
1017 1 12 SER HA 1 13 VAL MG2 5.610 . 5.610 5.030 4.832 5.158 . 0 0 "[ . 1 . 2]" 1
1018 1 14 LEU HA 1 14 LEU MD2 3.564 . 3.564 2.123 2.023 2.254 . 0 0 "[ . 1 . 2]" 1
1019 1 14 LEU MD1 1 76 TYR QE 4.499 . 4.499 2.541 2.009 3.328 . 0 0 "[ . 1 . 2]" 1
1020 1 14 LEU H 1 14 LEU MD1 5.588 . 5.588 3.757 3.644 3.953 . 0 0 "[ . 1 . 2]" 1
1021 1 17 PHE HA 1 18 ARG HA 5.313 . 5.313 4.915 4.847 4.959 . 0 0 "[ . 1 . 2]" 1
1022 1 17 PHE HA 1 21 LEU HG 5.258 . 5.258 4.407 4.157 4.644 . 0 0 "[ . 1 . 2]" 1
1023 1 18 ARG HA 1 65 LEU MD2 6.050 . 6.050 5.358 4.570 6.116 0.066 19 0 "[ . 1 . 2]" 1
1024 1 17 PHE HB3 1 20 THR MG 4.939 . 4.939 4.124 3.615 4.987 0.048 16 0 "[ . 1 . 2]" 1
1025 1 21 LEU HB3 1 65 LEU MD2 6.050 . 6.050 3.993 2.861 4.584 . 0 0 "[ . 1 . 2]" 1
1026 1 21 LEU MD2 1 79 PHE HZ 3.520 . 3.520 2.100 1.767 2.677 . 0 0 "[ . 1 . 2]" 1
1027 1 68 LEU HA 1 68 LEU MD2 3.124 . 3.124 2.106 2.045 2.200 . 0 0 "[ . 1 . 2]" 1
1028 1 68 LEU HB3 1 68 LEU MD2 3.003 . 3.003 2.487 2.453 2.530 . 0 0 "[ . 1 . 2]" 1
1029 1 15 GLU HA 1 21 LEU MD1 5.456 . 5.456 4.369 3.867 5.209 . 0 0 "[ . 1 . 2]" 1
1030 1 22 THR HA 1 22 THR MG 3.608 . 3.608 2.397 2.374 2.434 . 0 0 "[ . 1 . 2]" 1
1031 1 22 THR MG 1 23 SER H 4.950 . 4.950 4.081 3.981 4.199 . 0 0 "[ . 1 . 2]" 1
1032 1 21 LEU HA 1 25 ILE HG12 5.797 . 5.797 4.321 3.961 4.633 . 0 0 "[ . 1 . 2]" 1
1033 1 25 ILE MG 1 26 ASP HA 5.269 . 5.269 3.688 3.455 3.929 . 0 0 "[ . 1 . 2]" 1
1034 1 26 ASP HB3 1 27 PRO HD2 6.050 . 6.050 4.435 3.547 5.119 . 0 0 "[ . 1 . 2]" 1
1035 1 26 ASP HB2 1 27 PRO HD2 6.050 . 6.050 4.544 4.130 4.929 . 0 0 "[ . 1 . 2]" 1
1036 1 28 SER QB 1 49 LEU MD2 3.839 . 3.839 2.077 1.724 2.395 . 0 0 "[ . 1 . 2]" 1
1037 1 30 ILE HG12 1 31 THR H 5.522 . 5.522 3.892 3.751 4.058 . 0 0 "[ . 1 . 2]" 1
1038 1 29 ARG QB 1 30 ILE HG12 6.050 . 6.050 4.031 3.657 4.630 . 0 0 "[ . 1 . 2]" 1
1039 1 30 ILE MD 1 82 SER HG 5.236 . 5.236 2.721 1.897 3.525 . 0 0 "[ . 1 . 2]" 1
1040 1 30 ILE MD 1 82 SER HA 5.082 . 5.082 4.529 4.129 4.934 . 0 0 "[ . 1 . 2]" 1
1041 1 30 ILE MD 1 86 TYR QB 5.555 . 5.555 4.759 4.519 5.311 . 0 0 "[ . 1 . 2]" 1
1042 1 27 PRO QB 1 30 ILE MD 4.444 . 4.444 3.762 3.203 4.310 . 0 0 "[ . 1 . 2]" 1
1043 1 31 THR HA 1 40 LEU MD2 4.158 . 4.158 2.458 2.135 3.729 . 0 0 "[ . 1 . 2]" 1
1044 1 28 SER HA 1 31 THR MG 3.839 . 3.839 2.056 1.765 2.475 . 0 0 "[ . 1 . 2]" 1
1045 1 31 THR MG 1 45 GLU HA 4.532 . 4.532 2.903 2.501 3.417 . 0 0 "[ . 1 . 2]" 1
1046 1 31 THR MG 1 49 LEU MD1 2.937 . 2.937 2.940 2.541 3.098 0.161 1 0 "[ . 1 . 2]" 1
1047 1 36 GLN H 1 36 GLN HG3 5.302 . 5.302 3.921 2.099 4.648 . 0 0 "[ . 1 . 2]" 1
1048 1 42 PRO HA 1 45 GLU HB2 4.466 . 4.466 3.449 3.015 4.061 . 0 0 "[ . 1 . 2]" 1
1049 1 47 GLN HG2 1 48 VAL MG2 6.050 . 6.050 3.958 3.495 4.667 . 0 0 "[ . 1 . 2]" 1
1050 1 47 GLN HG2 1 63 VAL MG1 6.050 . 6.050 3.845 1.853 4.961 . 0 0 "[ . 1 . 2]" 1
1051 1 48 VAL HA 1 50 SER H 4.730 . 4.730 3.941 3.805 4.098 . 0 0 "[ . 1 . 2]" 1
1052 1 45 GLU H 1 48 VAL MG2 4.851 . 4.851 4.631 4.162 4.901 0.050 8 0 "[ . 1 . 2]" 1
1053 1 61 VAL MG1 1 64 LEU HB3 3.883 . 3.883 3.281 2.635 3.689 . 0 0 "[ . 1 . 2]" 1
1054 1 46 GLU HA 1 49 LEU HB2 5.687 . 5.687 3.053 2.432 3.824 . 0 0 "[ . 1 . 2]" 1
1055 1 49 LEU H 1 49 LEU MD2 4.609 . 4.609 3.438 3.077 3.689 . 0 0 "[ . 1 . 2]" 1
1056 1 28 SER HA 1 49 LEU MD1 4.961 . 4.961 4.366 3.741 4.773 . 0 0 "[ . 1 . 2]" 1
1057 1 51 ASP HA 1 52 PRO HB3 5.764 . 5.764 5.051 4.630 5.506 . 0 0 "[ . 1 . 2]" 1
1058 1 11 TRP HA 1 14 LEU HG 4.411 . 4.411 2.773 2.505 3.409 . 0 0 "[ . 1 . 2]" 1
1059 1 59 ARG HA 1 59 ARG QD 4.609 . 4.609 4.099 3.639 4.363 . 0 0 "[ . 1 . 2]" 1
1060 1 60 LYS HA 1 63 VAL MG1 5.016 . 5.016 4.169 3.539 4.642 . 0 0 "[ . 1 . 2]" 1
1061 1 27 PRO HA 1 30 ILE HG12 3.883 . 3.883 2.197 1.808 2.748 . 0 0 "[ . 1 . 2]" 1
1062 1 26 ASP HA 1 61 VAL MG2 4.851 . 4.851 3.725 3.383 4.188 . 0 0 "[ . 1 . 2]" 1
1063 1 62 GLY HA2 1 65 LEU MD1 4.323 . 4.323 2.630 2.070 3.251 . 0 0 "[ . 1 . 2]" 1
1064 1 22 THR HA 1 65 LEU MD1 5.313 . 5.313 4.918 4.181 5.381 0.068 20 0 "[ . 1 . 2]" 1
1065 1 68 LEU HA 1 71 THR HG1 6.050 . 6.050 2.985 2.274 3.827 . 0 0 "[ . 1 . 2]" 1
1066 1 21 LEU HB2 1 25 ILE MD 4.257 . 4.257 3.690 3.548 3.818 . 0 0 "[ . 1 . 2]" 1
1067 1 68 LEU H 1 68 LEU MD1 4.653 . 4.653 3.737 3.654 3.837 . 0 0 "[ . 1 . 2]" 1
1068 1 68 LEU MD1 1 79 PHE HB3 5.335 . 5.335 4.285 3.532 4.989 . 0 0 "[ . 1 . 2]" 1
1069 1 70 ARG H 1 71 THR MG 4.752 . 4.752 4.079 3.873 4.330 . 0 0 "[ . 1 . 2]" 1
1070 1 23 SER HA 1 25 ILE H 6.050 . 6.050 5.082 4.807 5.366 . 0 0 "[ . 1 . 2]" 1
1071 1 73 HIS HA 1 76 TYR QD 5.269 . 5.269 4.057 3.578 4.784 . 0 0 "[ . 1 . 2]" 1
1072 1 77 VAL H 1 77 VAL MG1 4.609 . 4.609 3.828 3.810 3.842 . 0 0 "[ . 1 . 2]" 1
1073 1 76 TYR QD 1 77 VAL MG2 4.378 . 4.378 3.338 2.883 3.775 . 0 0 "[ . 1 . 2]" 1
1074 1 75 GLY HA3 1 78 ALA MB 5.137 . 5.137 4.034 3.673 4.259 . 0 0 "[ . 1 . 2]" 1
1075 1 68 LEU HB3 1 75 GLY HA3 6.050 . 6.050 2.493 1.773 3.431 . 0 0 "[ . 1 . 2]" 1
1076 1 71 THR MG 1 75 GLY HA3 6.050 . 6.050 3.819 2.672 4.376 . 0 0 "[ . 1 . 2]" 1
1077 1 71 THR MG 1 75 GLY HA2 5.632 . 5.632 4.148 3.307 4.573 . 0 0 "[ . 1 . 2]" 1
1078 1 11 TRP HH2 1 76 TYR HA 5.687 . 5.687 3.201 2.559 3.709 . 0 0 "[ . 1 . 2]" 1
1079 1 76 TYR HA 1 79 PHE H 5.929 . 5.929 3.497 3.234 3.788 . 0 0 "[ . 1 . 2]" 1
1080 1 76 TYR HA 1 79 PHE HB3 4.774 . 4.774 2.525 2.294 2.838 . 0 0 "[ . 1 . 2]" 1
1081 1 14 LEU MD1 1 76 TYR HA 6.050 . 6.050 3.523 2.814 4.590 . 0 0 "[ . 1 . 2]" 1
1082 1 76 TYR QD 1 77 VAL HA 5.236 . 5.236 4.082 3.702 4.455 . 0 0 "[ . 1 . 2]" 1
1083 1 78 ALA MB 1 81 GLU H 5.225 . 5.225 4.670 4.480 4.869 . 0 0 "[ . 1 . 2]" 1
1084 1 80 LEU HG 1 91 TYR QE 5.082 . 5.082 4.423 4.172 4.913 . 0 0 "[ . 1 . 2]" 1
1085 1 80 LEU HG 1 91 TYR QD 5.863 . 5.863 5.527 5.281 5.856 . 0 0 "[ . 1 . 2]" 1
1086 1 77 VAL HA 1 80 LEU HG 5.412 . 5.412 3.537 2.996 3.932 . 0 0 "[ . 1 . 2]" 1
1087 1 76 TYR QE 1 80 LEU MD1 4.422 . 4.422 2.634 2.226 2.838 . 0 0 "[ . 1 . 2]" 1
1088 1 80 LEU MD1 1 91 TYR QE 4.675 . 4.675 3.167 2.856 3.581 . 0 0 "[ . 1 . 2]" 1
1089 1 79 PHE QD 1 80 LEU MD1 5.159 . 5.159 4.657 4.226 5.228 0.069 13 0 "[ . 1 . 2]" 1
1090 1 90 LEU HB3 1 91 TYR HA 5.775 . 5.775 4.367 4.173 4.468 . 0 0 "[ . 1 . 2]" 1
1091 1 30 ILE HB 1 82 SER HA 5.401 . 5.401 4.680 4.197 5.023 . 0 0 "[ . 1 . 2]" 1
1092 1 83 LEU HA 1 87 TYR QD 4.686 . 4.686 3.019 1.966 4.221 . 0 0 "[ . 1 . 2]" 1
1093 1 83 LEU HA 1 86 TYR QB 4.081 . 4.081 3.874 3.576 4.141 0.060 4 0 "[ . 1 . 2]" 1
1094 1 83 LEU HB3 1 91 TYR HB2 4.543 . 4.543 2.019 1.741 2.352 . 0 0 "[ . 1 . 2]" 1
1095 1 80 LEU HA 1 83 LEU HG 5.390 . 5.390 3.239 2.951 3.777 . 0 0 "[ . 1 . 2]" 1
1096 1 25 ILE MD 1 25 ILE MG 3.113 . 3.113 2.009 1.952 2.045 . 0 0 "[ . 1 . 2]" 1
1097 1 84 GLU HA 1 91 TYR QE 5.753 . 5.753 4.768 4.280 5.227 . 0 0 "[ . 1 . 2]" 1
1098 1 84 GLU HA 1 85 LEU HA 5.236 . 5.236 4.796 4.739 4.854 . 0 0 "[ . 1 . 2]" 1
1099 1 84 GLU HB2 1 91 TYR QE 5.599 . 5.599 3.516 3.147 4.940 . 0 0 "[ . 1 . 2]" 1
1100 1 84 GLU HB2 1 91 TYR QD 5.302 . 5.302 3.412 3.013 4.705 . 0 0 "[ . 1 . 2]" 1
1101 1 84 GLU HG2 1 91 TYR QD 5.896 . 5.896 4.830 3.118 5.460 . 0 0 "[ . 1 . 2]" 1
1102 1 84 GLU HG3 1 91 TYR QD 5.896 . 5.896 4.523 3.303 5.689 . 0 0 "[ . 1 . 2]" 1
1103 1 85 LEU HB3 1 86 TYR QE 5.588 . 5.588 3.213 3.079 3.411 . 0 0 "[ . 1 . 2]" 1
1104 1 14 LEU MD1 1 76 TYR QD 4.609 . 4.609 2.045 1.667 3.512 . 0 0 "[ . 1 . 2]" 1
1105 1 85 LEU H 1 85 LEU MD2 4.400 . 4.400 4.381 4.359 4.397 . 0 0 "[ . 1 . 2]" 1
1106 1 87 TYR HA 1 90 LEU H 5.863 . 5.863 4.110 3.933 4.246 . 0 0 "[ . 1 . 2]" 1
1107 1 87 TYR HA 1 88 PRO HA 5.291 . 5.291 4.766 4.692 4.876 . 0 0 "[ . 1 . 2]" 1
1108 1 87 TYR HA 1 90 LEU MD2 5.775 . 5.775 4.999 4.551 5.612 . 0 0 "[ . 1 . 2]" 1
1109 1 88 PRO HA 1 91 TYR QD 5.346 . 5.346 4.174 3.666 5.011 . 0 0 "[ . 1 . 2]" 1
1110 1 25 ILE HA 1 90 LEU MD2 4.499 . 4.499 3.806 3.158 4.298 . 0 0 "[ . 1 . 2]" 1
1111 1 83 LEU MD2 1 91 TYR HB3 6.050 . 6.050 5.259 4.830 5.556 . 0 0 "[ . 1 . 2]" 1
1112 1 91 TYR HB3 1 94 VAL MG2 6.050 . 6.050 5.693 5.075 5.959 . 0 0 "[ . 1 . 2]" 1
1113 1 21 LEU MD2 1 94 VAL MG2 3.399 . 3.399 1.816 1.630 1.974 . 0 0 "[ . 1 . 2]" 1
1114 1 92 LYS H 1 95 THR MG 5.390 . 5.390 4.501 3.931 5.346 . 0 0 "[ . 1 . 2]" 1
1115 1 91 TYR HA 1 95 THR MG 4.862 . 4.862 3.856 3.143 4.445 . 0 0 "[ . 1 . 2]" 1
1116 1 95 THR H 1 96 GLY QA 5.962 . 5.962 4.330 3.865 4.540 . 0 0 "[ . 1 . 2]" 1
1117 1 83 LEU MD2 1 90 LEU MD2 3.223 . 3.223 2.033 1.720 2.243 . 0 0 "[ . 1 . 2]" 1
1118 1 22 THR HB 1 61 VAL HB 4.686 . 4.686 2.907 2.666 3.289 . 0 0 "[ . 1 . 2]" 1
1119 1 31 THR HB 1 45 GLU HG3 4.455 . 4.455 2.272 1.611 2.943 . 0 0 "[ . 1 . 2]" 1
1120 1 31 THR HB 1 40 LEU MD2 4.829 . 4.829 2.835 2.426 3.418 . 0 0 "[ . 1 . 2]" 1
1121 1 31 THR HA 1 40 LEU MD1 4.565 . 4.565 4.091 1.910 4.650 0.085 13 0 "[ . 1 . 2]" 1
1122 1 17 PHE QD 1 94 VAL HA 4.730 . 4.730 3.446 3.123 4.104 . 0 0 "[ . 1 . 2]" 1
1123 1 28 SER QB 1 48 VAL MG1 4.312 . 4.312 2.982 2.169 3.660 . 0 0 "[ . 1 . 2]" 1
1124 1 65 LEU HA 1 65 LEU MD1 4.213 . 4.213 3.932 3.872 3.960 . 0 0 "[ . 1 . 2]" 1
1125 1 45 GLU HA 1 48 VAL MG1 5.016 . 5.016 4.199 3.660 4.499 . 0 0 "[ . 1 . 2]" 1
1126 1 45 GLU HA 1 49 LEU MD1 5.379 . 5.379 4.201 3.767 4.446 . 0 0 "[ . 1 . 2]" 1
1127 1 92 LYS HA 1 93 LYS HA 5.247 . 5.247 4.832 4.678 4.901 . 0 0 "[ . 1 . 2]" 1
1128 1 46 GLU HA 1 49 LEU MD1 5.236 . 5.236 3.840 2.812 4.768 . 0 0 "[ . 1 . 2]" 1
1129 1 97 LYS HA 1 97 LYS QG 3.927 . 3.927 2.813 2.425 3.407 . 0 0 "[ . 1 . 2]" 1
1130 1 83 LEU HA 1 83 LEU HG 4.103 . 4.103 3.162 3.027 3.429 . 0 0 "[ . 1 . 2]" 1
1131 1 89 GLN HA 1 92 LYS QB 4.499 . 4.499 3.364 2.790 4.355 . 0 0 "[ . 1 . 2]" 1
1132 1 35 ARG HA 1 38 LYS HA 4.554 . 4.554 3.611 2.986 4.441 . 0 0 "[ . 1 . 2]" 1
1133 1 49 LEU HA 1 50 SER HA 5.148 . 5.148 4.843 4.677 4.918 . 0 0 "[ . 1 . 2]" 1
1134 1 44 ASP HA 1 67 ILE MG 4.939 . 4.939 4.436 3.743 4.960 0.021 1 0 "[ . 1 . 2]" 1
1135 1 35 ARG HA 1 40 LEU HA 5.764 . 5.764 5.321 4.775 5.801 0.037 15 0 "[ . 1 . 2]" 1
1136 1 39 VAL HA 1 40 LEU HA 6.050 . 6.050 4.655 4.538 4.736 . 0 0 "[ . 1 . 2]" 1
1137 1 87 TYR HB2 1 90 LEU HB2 4.653 . 4.653 3.781 3.434 4.193 . 0 0 "[ . 1 . 2]" 1
1138 1 31 THR HA 1 34 LEU HB2 4.466 . 4.466 2.872 2.687 3.178 . 0 0 "[ . 1 . 2]" 1
1139 1 80 LEU HA 1 83 LEU HB3 5.104 . 5.104 4.246 4.023 4.890 . 0 0 "[ . 1 . 2]" 1
1140 1 34 LEU HB3 1 40 LEU HB2 4.708 . 4.708 1.944 1.747 2.118 . 0 0 "[ . 1 . 2]" 1
1141 1 37 CYS HB3 1 78 ALA MB 4.587 . 4.587 2.856 2.147 3.527 . 0 0 "[ . 1 . 2]" 1
1142 1 37 CYS HB3 1 39 VAL MG2 4.433 . 4.433 2.536 2.082 3.428 . 0 0 "[ . 1 . 2]" 1
1143 1 42 PRO HB2 1 43 ASP HA 4.708 . 4.708 4.219 3.971 4.431 . 0 0 "[ . 1 . 2]" 1
1144 1 25 ILE HG13 1 83 LEU MD2 5.170 . 5.170 3.419 3.122 3.670 . 0 0 "[ . 1 . 2]" 1
1145 1 30 ILE HG13 1 30 ILE MG 3.652 . 3.652 3.255 3.247 3.263 . 0 0 "[ . 1 . 2]" 1
1146 1 34 LEU HA 1 39 VAL MG2 3.432 . 3.432 2.520 2.328 2.777 . 0 0 "[ . 1 . 2]" 1
1147 1 19 VAL HA 1 19 VAL MG1 3.751 . 3.751 2.724 2.347 3.276 . 0 0 "[ . 1 . 2]" 1
1148 1 22 THR MG 1 61 VAL MG1 3.245 . 3.245 2.603 2.462 2.860 . 0 0 "[ . 1 . 2]" 1
1149 1 20 THR HA 1 20 THR MG 3.597 . 3.597 2.440 2.367 2.482 . 0 0 "[ . 1 . 2]" 1
1150 1 20 THR MG 1 90 LEU MD1 3.322 . 3.322 2.197 1.903 2.916 . 0 0 "[ . 1 . 2]" 1
1151 1 27 PRO HG3 1 48 VAL MG1 3.905 . 3.905 3.296 2.857 3.959 0.054 7 0 "[ . 1 . 2]" 1
1152 1 48 VAL MG1 1 49 LEU HG 4.389 . 4.389 3.374 2.935 3.718 . 0 0 "[ . 1 . 2]" 1
1153 1 21 LEU HA 1 21 LEU MD2 3.498 . 3.498 2.055 1.994 2.121 . 0 0 "[ . 1 . 2]" 1
1154 1 64 LEU MD1 1 67 ILE HB 3.641 . 3.641 2.869 2.328 3.576 . 0 0 "[ . 1 . 2]" 1
1155 1 21 LEU MD2 1 90 LEU HG 4.576 . 4.576 3.022 2.595 3.554 . 0 0 "[ . 1 . 2]" 1
1156 1 21 LEU MD2 1 25 ILE HG13 4.092 . 4.092 3.344 3.215 3.700 . 0 0 "[ . 1 . 2]" 1
1157 1 68 LEU MD2 1 71 THR MG 4.070 . 4.070 3.421 2.689 4.114 0.044 13 0 "[ . 1 . 2]" 1
1158 1 22 THR HA 1 61 VAL MG1 3.564 . 3.564 2.433 2.117 2.644 . 0 0 "[ . 1 . 2]" 1
1159 1 22 THR HB 1 61 VAL MG1 4.873 . 4.873 4.179 3.933 4.425 . 0 0 "[ . 1 . 2]" 1
1160 1 20 THR HB 1 21 LEU HG 5.093 . 5.093 3.478 3.197 3.849 . 0 0 "[ . 1 . 2]" 1
1161 1 17 PHE HB2 1 20 THR HB 6.050 . 6.050 4.598 4.192 5.368 . 0 0 "[ . 1 . 2]" 1
1162 1 17 PHE QD 1 20 THR HB 5.060 . 5.060 3.950 3.430 4.307 . 0 0 "[ . 1 . 2]" 1
1163 1 91 TYR HA 1 91 TYR QE 6.050 . 6.050 4.670 4.545 4.871 . 0 0 "[ . 1 . 2]" 1
1164 1 86 TYR HA 1 86 TYR QE 5.423 . 5.423 4.704 4.547 4.774 . 0 0 "[ . 1 . 2]" 1
1165 1 80 LEU MD1 1 91 TYR QD 5.159 . 5.159 4.852 4.491 5.224 0.065 12 0 "[ . 1 . 2]" 1
1166 1 87 TYR QD 1 90 LEU MD2 4.543 . 4.543 3.297 2.999 3.938 . 0 0 "[ . 1 . 2]" 1
1167 1 21 LEU MD2 1 79 PHE QE 4.642 . 4.642 2.953 2.310 3.565 . 0 0 "[ . 1 . 2]" 1
1168 1 30 ILE MG 1 87 TYR QE 4.235 . 4.235 3.409 2.291 4.326 0.091 1 0 "[ . 1 . 2]" 1
1169 1 25 ILE MG 1 87 TYR QE 4.686 . 4.686 2.802 2.252 3.670 . 0 0 "[ . 1 . 2]" 1
1170 1 21 LEU HA 1 25 ILE MD 4.422 . 4.422 2.882 2.711 3.055 . 0 0 "[ . 1 . 2]" 1
1171 1 22 THR HA 1 25 ILE MD 4.939 . 4.939 4.306 3.781 4.709 . 0 0 "[ . 1 . 2]" 1
1172 1 67 ILE HA 1 67 ILE MD 4.455 . 4.455 3.756 2.133 3.935 . 0 0 "[ . 1 . 2]" 1
1173 1 47 GLN QB 1 67 ILE MD 4.609 . 4.609 3.911 3.382 4.692 0.083 18 0 "[ . 1 . 2]" 1
1174 1 64 LEU HA 1 67 ILE MG 4.994 . 4.994 3.992 3.661 4.556 . 0 0 "[ . 1 . 2]" 1
1175 1 17 PHE QD 1 94 VAL MG1 5.412 . 5.412 3.057 2.434 3.922 . 0 0 "[ . 1 . 2]" 1
1176 1 17 PHE QD 1 94 VAL MG2 5.896 . 5.896 3.617 2.835 4.731 . 0 0 "[ . 1 . 2]" 1
1177 1 91 TYR HA 1 94 VAL HB 4.873 . 4.873 3.124 2.762 3.386 . 0 0 "[ . 1 . 2]" 1
1178 1 87 TYR HA 1 88 PRO QG 4.697 . 4.697 4.168 3.932 4.443 . 0 0 "[ . 1 . 2]" 1
1179 1 35 ARG HA 1 35 ARG HD3 4.675 . 4.675 3.490 2.295 4.759 0.084 13 0 "[ . 1 . 2]" 1
1180 1 81 GLU HA 1 84 GLU HB2 4.752 . 4.752 3.616 1.958 4.409 . 0 0 "[ . 1 . 2]" 1
1181 1 51 ASP HA 1 52 PRO HG3 5.126 . 5.126 4.544 4.194 4.802 . 0 0 "[ . 1 . 2]" 1
1182 1 30 ILE HA 1 32 PRO HD2 5.511 . 5.511 3.260 3.096 3.425 . 0 0 "[ . 1 . 2]" 1
1183 1 87 TYR HA 1 90 LEU HB2 5.379 . 5.379 4.900 4.681 5.281 . 0 0 "[ . 1 . 2]" 1
1184 1 39 VAL MG1 1 74 LYS QE 4.466 . 4.466 2.880 1.983 4.024 . 0 0 "[ . 1 . 2]" 1
1185 1 51 ASP HB2 1 54 LEU HG 5.236 . 5.236 4.101 1.865 5.424 0.188 14 0 "[ . 1 . 2]" 1
1186 1 51 ASP HB3 1 54 LEU HG 5.236 . 5.236 3.937 2.895 5.310 0.074 6 0 "[ . 1 . 2]" 1
1187 1 28 SER QB 1 49 LEU HB2 6.050 . 6.050 5.629 5.158 6.081 0.031 12 0 "[ . 1 . 2]" 1
1188 1 53 ASN QB 1 54 LEU HB3 6.050 . 6.050 5.802 5.644 5.911 . 0 0 "[ . 1 . 2]" 1
1189 1 83 LEU HA 1 87 TYR HB2 5.104 . 5.104 2.825 2.253 3.317 . 0 0 "[ . 1 . 2]" 1
1190 1 53 ASN QB 1 54 LEU HB2 6.050 . 6.050 4.824 4.751 4.900 . 0 0 "[ . 1 . 2]" 1
1191 1 17 PHE HB2 1 94 VAL MG2 5.302 . 5.302 3.507 2.675 4.345 . 0 0 "[ . 1 . 2]" 1
1192 1 85 LEU HB2 1 86 TYR QB 6.050 . 6.050 5.453 5.337 5.541 . 0 0 "[ . 1 . 2]" 1
1193 1 85 LEU MD1 1 86 TYR QB 6.050 . 6.050 5.249 5.119 5.388 . 0 0 "[ . 1 . 2]" 1
1194 1 85 LEU HB2 1 86 TYR QD 5.764 . 5.764 3.951 3.718 4.240 . 0 0 "[ . 1 . 2]" 1
1195 1 85 LEU HB3 1 86 TYR QD 5.841 . 5.841 2.411 2.084 2.805 . 0 0 "[ . 1 . 2]" 1
1196 1 21 LEU HB3 1 83 LEU MD1 5.951 . 5.951 5.200 4.674 5.619 . 0 0 "[ . 1 . 2]" 1
1197 1 21 LEU HB3 1 94 VAL MG1 6.050 . 6.050 5.523 5.001 5.793 . 0 0 "[ . 1 . 2]" 1
1198 1 31 THR MG 1 45 GLU HG2 5.104 . 5.104 3.681 3.338 4.112 . 0 0 "[ . 1 . 2]" 1
1199 1 90 LEU HB3 1 91 TYR HB3 6.050 . 6.050 5.101 4.794 5.282 . 0 0 "[ . 1 . 2]" 1
1200 1 30 ILE HB 1 33 TYR HB2 5.291 . 5.291 3.958 3.581 4.249 . 0 0 "[ . 1 . 2]" 1
1201 1 30 ILE HB 1 33 TYR HA 5.995 . 5.995 5.707 5.463 5.993 . 0 0 "[ . 1 . 2]" 1
1202 1 47 GLN HG3 1 48 VAL MG2 6.050 . 6.050 4.728 3.057 5.506 . 0 0 "[ . 1 . 2]" 1
1203 1 47 GLN HG3 1 63 VAL MG1 6.050 . 6.050 4.426 2.927 6.114 0.064 1 0 "[ . 1 . 2]" 1
1204 1 83 LEU MD2 1 90 LEU HG 5.368 . 5.368 2.694 2.309 3.253 . 0 0 "[ . 1 . 2]" 1
1205 1 32 PRO HG2 1 33 TYR HA 4.708 . 4.708 4.402 4.213 4.607 . 0 0 "[ . 1 . 2]" 1
1206 1 31 THR HB 1 49 LEU MD1 4.510 . 4.510 3.464 3.003 3.825 . 0 0 "[ . 1 . 2]" 1
1207 1 61 VAL HA 1 64 LEU MD2 4.708 . 4.708 2.975 2.720 3.328 . 0 0 "[ . 1 . 2]" 1
1208 1 53 ASN QB 1 54 LEU MD1 5.643 . 5.643 5.000 4.216 5.803 0.160 1 0 "[ . 1 . 2]" 1
1209 1 54 LEU HA 1 54 LEU MD1 4.345 . 4.345 3.460 2.922 3.958 . 0 0 "[ . 1 . 2]" 1
1210 1 87 TYR HB2 1 90 LEU MD2 4.323 . 4.323 2.792 2.480 3.240 . 0 0 "[ . 1 . 2]" 1
1211 1 21 LEU HA 1 90 LEU MD2 4.136 . 4.136 2.678 2.059 3.278 . 0 0 "[ . 1 . 2]" 1
1212 1 31 THR MG 1 49 LEU HG 4.081 . 4.081 2.507 2.229 2.882 . 0 0 "[ . 1 . 2]" 1
1213 1 85 LEU MD2 1 86 TYR QE 4.422 . 4.422 3.029 2.876 3.210 . 0 0 "[ . 1 . 2]" 1
1214 1 94 VAL HB 1 95 THR MG 4.444 . 4.444 3.594 2.638 4.245 . 0 0 "[ . 1 . 2]" 1
1215 1 25 ILE MG 1 30 ILE MG 4.741 . 4.741 3.370 2.987 3.697 . 0 0 "[ . 1 . 2]" 1
1216 1 41 ASN HB2 1 67 ILE MG 4.851 . 4.851 4.289 3.433 4.910 0.059 17 0 "[ . 1 . 2]" 1
1217 1 87 TYR QD 1 90 LEU HB2 5.434 . 5.434 4.399 3.728 4.784 . 0 0 "[ . 1 . 2]" 1
1218 1 13 VAL MG1 1 14 LEU HA 5.005 . 5.005 3.737 3.251 5.468 0.463 20 0 "[ . 1 . 2]" 1
1219 1 14 LEU HA 1 94 VAL MG1 5.489 . 5.489 3.250 2.413 4.100 . 0 0 "[ . 1 . 2]" 1
1220 1 14 LEU HA 1 94 VAL MG2 5.797 . 5.797 4.992 4.348 5.614 . 0 0 "[ . 1 . 2]" 1
1221 1 17 PHE HA 1 20 THR MG 6.050 . 6.050 4.964 4.259 5.392 . 0 0 "[ . 1 . 2]" 1
1222 1 19 VAL HA 1 22 THR MG 5.093 . 5.093 3.920 3.166 4.648 . 0 0 "[ . 1 . 2]" 1
1223 1 20 THR HB 1 90 LEU MD1 5.401 . 5.401 3.612 2.790 4.254 . 0 0 "[ . 1 . 2]" 1
1224 1 17 PHE QD 1 20 THR MG 5.126 . 5.126 4.169 3.357 4.855 . 0 0 "[ . 1 . 2]" 1
1225 1 21 LEU HB2 1 94 VAL MG1 6.050 . 6.050 5.841 5.193 6.137 0.087 10 0 "[ . 1 . 2]" 1
1226 1 24 VAL MG1 1 87 TYR QD 4.554 . 4.554 3.102 2.540 4.034 . 0 0 "[ . 1 . 2]" 1
1227 1 25 ILE MG 1 27 PRO QB 4.400 . 4.400 3.586 3.121 3.851 . 0 0 "[ . 1 . 2]" 1
1228 1 26 ASP HB2 1 29 ARG QB 5.016 . 5.016 3.530 2.079 4.772 . 0 0 "[ . 1 . 2]" 1
1229 1 26 ASP HB3 1 27 PRO HD3 6.050 . 6.050 4.991 4.572 5.251 . 0 0 "[ . 1 . 2]" 1
1230 1 28 SER HA 1 48 VAL MG1 4.015 . 4.015 2.523 2.221 3.502 . 0 0 "[ . 1 . 2]" 1
1231 1 29 ARG QB 1 30 ILE HA 5.423 . 5.423 4.169 3.794 4.429 . 0 0 "[ . 1 . 2]" 1
1232 1 27 PRO QB 1 30 ILE HG12 5.610 . 5.610 4.015 3.581 4.557 . 0 0 "[ . 1 . 2]" 1
1233 1 30 ILE MG 1 82 SER HA 4.554 . 4.554 3.898 3.375 4.245 . 0 0 "[ . 1 . 2]" 1
1234 1 30 ILE MG 1 82 SER HB3 4.807 . 4.807 3.714 2.254 4.366 . 0 0 "[ . 1 . 2]" 1
1235 1 30 ILE MG 1 85 LEU MD1 5.214 . 5.214 4.983 4.720 5.183 . 0 0 "[ . 1 . 2]" 1
1236 1 31 THR HA 1 45 GLU HG3 5.346 . 5.346 4.511 4.111 5.057 . 0 0 "[ . 1 . 2]" 1
1237 1 30 ILE MG 1 33 TYR HB3 5.214 . 5.214 3.852 3.475 4.167 . 0 0 "[ . 1 . 2]" 1
1238 1 33 TYR QD 1 34 LEU HA 5.412 . 5.412 3.956 3.634 4.259 . 0 0 "[ . 1 . 2]" 1
1239 1 37 CYS HB2 1 39 VAL MG2 4.433 . 4.433 3.381 2.102 4.186 . 0 0 "[ . 1 . 2]" 1
1240 1 39 VAL MG2 1 78 ALA MB 3.157 . 3.157 2.174 1.983 2.451 . 0 0 "[ . 1 . 2]" 1
1241 1 40 LEU HG 1 41 ASN HA 5.786 . 5.786 4.578 4.267 5.435 . 0 0 "[ . 1 . 2]" 1
1242 1 42 PRO HA 1 45 GLU HB3 5.104 . 5.104 2.793 2.056 4.383 . 0 0 "[ . 1 . 2]" 1
1243 1 81 GLU HB3 1 82 SER HA 5.489 . 5.489 4.520 4.156 4.732 . 0 0 "[ . 1 . 2]" 1
1244 1 45 GLU HB3 1 49 LEU MD1 5.368 . 5.368 4.269 4.061 4.660 . 0 0 "[ . 1 . 2]" 1
1245 1 31 THR HB 1 45 GLU HG2 4.972 . 4.972 3.912 3.347 4.578 . 0 0 "[ . 1 . 2]" 1
1246 1 28 SER QB 1 49 LEU MD1 4.378 . 4.378 4.325 3.918 4.508 0.130 18 0 "[ . 1 . 2]" 1
1247 1 53 ASN QB 1 55 VAL MG1 5.610 . 5.610 3.500 1.955 4.578 . 0 0 "[ . 1 . 2]" 1
1248 1 53 ASN QB 1 55 VAL MG2 5.610 . 5.610 2.792 2.024 4.221 . 0 0 "[ . 1 . 2]" 1
1249 1 52 PRO HB2 1 53 ASN HA 5.236 . 5.236 4.437 4.252 4.647 . 0 0 "[ . 1 . 2]" 1
1250 1 53 ASN HA 1 54 LEU MD2 6.050 . 6.050 5.557 4.836 5.864 . 0 0 "[ . 1 . 2]" 1
1251 1 56 ILE HB 1 59 ARG QD 5.445 . 5.445 4.945 4.306 5.505 0.060 9 0 "[ . 1 . 2]" 1
1252 1 34 LEU HB2 1 35 ARG HA 5.038 . 5.038 4.554 4.431 4.736 . 0 0 "[ . 1 . 2]" 1
1253 1 58 LYS HA 1 61 VAL HB 5.522 . 5.522 4.014 3.498 4.401 . 0 0 "[ . 1 . 2]" 1
1254 1 74 LYS HA 1 77 VAL MG2 3.894 . 3.894 2.866 2.070 3.214 . 0 0 "[ . 1 . 2]" 1
1255 1 27 PRO HG2 1 61 VAL HA 5.357 . 5.357 4.938 3.575 5.437 0.080 2 0 "[ . 1 . 2]" 1
1256 1 61 VAL HA 1 64 LEU HG 5.940 . 5.940 4.538 4.307 5.054 . 0 0 "[ . 1 . 2]" 1
1257 1 83 LEU HB3 1 90 LEU MD2 4.686 . 4.686 4.257 3.525 4.700 0.014 19 0 "[ . 1 . 2]" 1
1258 1 62 GLY HA3 1 65 LEU MD1 4.719 . 4.719 4.133 3.461 4.761 0.042 5 0 "[ . 1 . 2]" 1
1259 1 71 THR MG 1 74 LYS QE 5.544 . 5.544 4.537 3.420 5.670 0.126 12 0 "[ . 1 . 2]" 1
1260 1 26 ASP HB2 1 27 PRO HD3 6.050 . 6.050 4.945 4.528 5.266 . 0 0 "[ . 1 . 2]" 1
1261 1 83 LEU HB2 1 91 TYR HA 4.477 . 4.477 3.490 3.175 3.930 . 0 0 "[ . 1 . 2]" 1
1262 1 34 LEU HA 1 78 ALA MB 4.257 . 4.257 3.556 3.079 4.132 . 0 0 "[ . 1 . 2]" 1
1263 1 78 ALA MB 1 79 PHE HA 5.126 . 5.126 3.983 3.875 4.052 . 0 0 "[ . 1 . 2]" 1
1264 1 79 PHE HA 1 80 LEU MD2 6.050 . 6.050 5.401 5.092 5.586 . 0 0 "[ . 1 . 2]" 1
1265 1 79 PHE HA 1 83 LEU MD2 6.050 . 6.050 5.120 4.585 5.536 . 0 0 "[ . 1 . 2]" 1
1266 1 80 LEU HA 1 91 TYR QD 5.313 . 5.313 2.952 2.751 3.235 . 0 0 "[ . 1 . 2]" 1
1267 1 80 LEU HA 1 91 TYR QE 5.335 . 5.335 3.058 2.566 3.503 . 0 0 "[ . 1 . 2]" 1
1268 1 92 LYS HA 1 97 LYS QG 5.357 . 5.357 3.589 1.975 5.101 . 0 0 "[ . 1 . 2]" 1
1269 1 85 LEU HB2 1 86 TYR QE 6.050 . 6.050 4.365 4.191 4.674 . 0 0 "[ . 1 . 2]" 1
1270 1 29 ARG QB 1 86 TYR QB 6.039 . 6.039 4.664 4.000 5.335 . 0 0 "[ . 1 . 2]" 1
1271 1 87 TYR HA 1 87 TYR QE 5.511 . 5.511 4.675 4.412 4.922 . 0 0 "[ . 1 . 2]" 1
1272 1 83 LEU MD2 1 87 TYR HA 5.522 . 5.522 5.316 4.696 5.590 0.068 9 0 "[ . 1 . 2]" 1
1273 1 87 TYR QD 1 90 LEU HB3 5.423 . 5.423 4.172 3.902 4.500 . 0 0 "[ . 1 . 2]" 1
1274 1 83 LEU HB3 1 91 TYR HA 4.664 . 4.664 2.504 2.221 2.789 . 0 0 "[ . 1 . 2]" 1
1275 1 14 LEU MD2 1 94 VAL HA 5.335 . 5.335 4.733 3.867 5.161 . 0 0 "[ . 1 . 2]" 1
1276 1 21 LEU MD2 1 94 VAL HA 5.841 . 5.841 4.403 3.742 4.869 . 0 0 "[ . 1 . 2]" 1
1277 1 91 TYR HA 1 94 VAL MG1 5.379 . 5.379 4.458 4.073 4.707 . 0 0 "[ . 1 . 2]" 1
1278 1 91 TYR HB2 1 94 VAL MG2 5.445 . 5.445 5.254 4.485 5.565 0.120 17 0 "[ . 1 . 2]" 1
1279 1 22 THR HA 1 61 VAL HA 5.401 . 5.401 4.789 4.566 4.889 . 0 0 "[ . 1 . 2]" 1
1280 1 4 TYR H 1 4 TYR QB 3.718 . 3.718 2.579 2.246 3.385 . 0 0 "[ . 1 . 2]" 1
1281 1 4 TYR QB 1 5 GLU H 4.433 . 4.433 3.473 2.335 4.073 . 0 0 "[ . 1 . 2]" 1
1282 1 5 GLU H 1 5 GLU QG 4.840 . 4.840 2.909 1.942 4.093 . 0 0 "[ . 1 . 2]" 1
1283 1 5 GLU QB 1 6 ASN H 4.818 . 4.818 3.490 1.927 4.081 . 0 0 "[ . 1 . 2]" 1
1284 1 7 ASP QB 1 72 GLY QA 4.257 . 4.257 2.705 1.956 3.157 . 0 0 "[ . 1 . 2]" 1
1285 1 10 CYS QB 1 11 TRP H 4.818 . 4.818 2.582 2.193 3.618 . 0 0 "[ . 1 . 2]" 1
1286 1 10 CYS QB 1 11 TRP HE3 5.775 . 5.775 5.493 4.165 5.928 0.153 19 0 "[ . 1 . 2]" 1
1287 1 11 TRP HA 1 14 LEU QB 5.830 . 5.830 2.722 2.114 3.546 . 0 0 "[ . 1 . 2]" 1
1288 1 11 TRP QB 1 12 SER H 4.928 . 4.928 3.004 2.710 3.320 . 0 0 "[ . 1 . 2]" 1
1289 1 11 TRP HE3 1 14 LEU QB 4.994 . 4.994 3.322 2.937 3.796 . 0 0 "[ . 1 . 2]" 1
1290 1 11 TRP HE1 1 72 GLY QA 5.291 . 5.291 3.733 2.571 5.307 0.016 17 0 "[ . 1 . 2]" 1
1291 1 12 SER HA 1 15 GLU QB 4.499 . 4.499 2.520 2.061 3.303 . 0 0 "[ . 1 . 2]" 1
1292 1 12 SER QB 1 13 VAL H 4.774 . 4.774 2.981 2.524 3.724 . 0 0 "[ . 1 . 2]" 1
1293 1 14 LEU H 1 14 LEU QB 3.564 . 3.564 2.527 2.467 2.612 . 0 0 "[ . 1 . 2]" 1
1294 1 14 LEU QB 1 15 GLU H 3.839 . 3.839 2.794 2.430 3.344 . 0 0 "[ . 1 . 2]" 1
1295 1 15 GLU H 1 15 GLU QB 3.784 . 3.784 2.346 2.209 2.621 . 0 0 "[ . 1 . 2]" 1
1296 1 15 GLU HA 1 18 ARG QB 4.455 . 4.455 2.019 1.559 3.507 . 0 0 "[ . 1 . 2]" 1
1297 1 15 GLU QB 1 16 GLY H 4.664 . 4.664 2.694 2.212 3.534 . 0 0 "[ . 1 . 2]" 1
1298 1 16 GLY QA 1 18 ARG H 5.126 . 5.126 3.777 3.536 3.939 . 0 0 "[ . 1 . 2]" 1
1299 1 17 PHE H 1 18 ARG QB 4.906 . 4.906 3.973 3.754 4.640 . 0 0 "[ . 1 . 2]" 1
1300 1 18 ARG H 1 18 ARG QB 3.311 . 3.311 2.271 2.154 2.510 . 0 0 "[ . 1 . 2]" 1
1301 1 18 ARG H 1 18 ARG QG 4.972 . 4.972 3.944 2.460 4.054 . 0 0 "[ . 1 . 2]" 1
1302 1 18 ARG H 1 18 ARG QD 5.093 . 5.093 4.615 4.250 4.934 . 0 0 "[ . 1 . 2]" 1
1303 1 18 ARG HA 1 18 ARG QG 4.004 . 4.004 2.475 2.356 2.619 . 0 0 "[ . 1 . 2]" 1
1304 1 18 ARG HA 1 18 ARG QD 4.961 . 4.961 4.086 3.378 4.344 . 0 0 "[ . 1 . 2]" 1
1305 1 19 VAL HA 1 19 VAL QG 3.278 . 3.278 2.278 2.187 2.360 . 0 0 "[ . 1 . 2]" 1
1306 1 19 VAL QG 1 20 THR HA 4.114 . 4.114 3.500 3.214 3.812 . 0 0 "[ . 1 . 2]" 1
1307 1 19 VAL QG 1 20 THR HB 5.071 . 5.071 4.319 3.705 5.064 . 0 0 "[ . 1 . 2]" 1
1308 1 22 THR H 1 23 SER QB 4.972 . 4.972 4.616 4.356 4.987 0.015 16 0 "[ . 1 . 2]" 1
1309 1 23 SER H 1 23 SER QB 3.278 . 3.278 2.425 2.276 2.738 . 0 0 "[ . 1 . 2]" 1
1310 1 23 SER HA 1 58 LYS QB 4.334 . 4.334 3.808 2.761 4.406 0.072 12 0 "[ . 1 . 2]" 1
1311 1 23 SER HA 1 58 LYS QG 4.829 . 4.829 3.272 2.008 5.032 0.203 8 0 "[ . 1 . 2]" 1
1312 1 23 SER QB 1 24 VAL H 4.092 . 4.092 2.885 2.458 3.696 . 0 0 "[ . 1 . 2]" 1
1313 1 23 SER QB 1 24 VAL MG2 4.103 . 4.103 2.981 2.510 3.862 . 0 0 "[ . 1 . 2]" 1
1314 1 25 ILE HA 1 27 PRO QD 5.874 . 5.874 5.070 4.658 5.440 . 0 0 "[ . 1 . 2]" 1
1315 1 25 ILE MG 1 27 PRO QD 3.707 . 3.707 3.234 2.595 3.720 0.013 5 0 "[ . 1 . 2]" 1
1316 1 26 ASP H 1 26 ASP QB 3.685 . 3.685 2.362 2.286 2.454 . 0 0 "[ . 1 . 2]" 1
1317 1 26 ASP H 1 27 PRO QD 5.885 . 5.885 4.157 3.877 4.360 . 0 0 "[ . 1 . 2]" 1
1318 1 26 ASP HA 1 27 PRO QG 5.005 . 5.005 3.973 3.891 4.016 . 0 0 "[ . 1 . 2]" 1
1319 1 26 ASP HA 1 57 ARG QB 5.764 . 5.764 4.062 2.501 5.692 . 0 0 "[ . 1 . 2]" 1
1320 1 26 ASP HA 1 57 ARG QG 5.500 . 5.500 3.680 2.418 5.429 . 0 0 "[ . 1 . 2]" 1
1321 1 26 ASP QB 1 27 PRO QD 4.543 . 4.543 3.670 3.311 3.900 . 0 0 "[ . 1 . 2]" 1
1322 1 26 ASP QB 1 29 ARG H 4.202 . 4.202 3.118 2.366 3.674 . 0 0 "[ . 1 . 2]" 1
1323 1 26 ASP QB 1 29 ARG QB 4.147 . 4.147 2.332 1.837 3.094 . 0 0 "[ . 1 . 2]" 1
1324 1 26 ASP QB 1 29 ARG QG 5.698 . 5.698 3.332 2.183 4.244 . 0 0 "[ . 1 . 2]" 1
1325 1 26 ASP QB 1 30 ILE H 5.599 . 5.599 4.492 3.992 5.162 . 0 0 "[ . 1 . 2]" 1
1326 1 27 PRO QG 1 28 SER H 4.422 . 4.422 2.611 2.147 3.982 . 0 0 "[ . 1 . 2]" 1
1327 1 27 PRO QG 1 48 VAL MG1 3.245 . 3.245 2.236 1.983 2.710 . 0 0 "[ . 1 . 2]" 1
1328 1 27 PRO QG 1 48 VAL MG2 4.290 . 4.290 3.659 2.929 4.244 . 0 0 "[ . 1 . 2]" 1
1329 1 27 PRO QG 1 61 VAL HA 4.477 . 4.477 3.406 2.554 3.909 . 0 0 "[ . 1 . 2]" 1
1330 1 27 PRO QG 1 61 VAL MG2 3.322 . 3.322 2.323 1.789 2.811 . 0 0 "[ . 1 . 2]" 1
1331 1 27 PRO QD 1 48 VAL MG1 5.324 . 5.324 3.794 2.882 4.161 . 0 0 "[ . 1 . 2]" 1
1332 1 27 PRO QD 1 57 ARG QD 4.180 . 4.180 2.938 1.658 4.197 0.017 6 0 "[ . 1 . 2]" 1
1333 1 27 PRO QD 1 61 VAL H 5.885 . 5.885 4.252 3.707 4.899 . 0 0 "[ . 1 . 2]" 1
1334 1 27 PRO QD 1 61 VAL HA 4.664 . 4.664 4.400 3.414 4.710 0.046 3 0 "[ . 1 . 2]" 1
1335 1 27 PRO QD 1 61 VAL MG1 4.906 . 4.906 4.106 3.656 4.429 . 0 0 "[ . 1 . 2]" 1
1336 1 27 PRO QD 1 61 VAL MG2 3.410 . 3.410 2.036 1.732 2.302 . 0 0 "[ . 1 . 2]" 1
1337 1 29 ARG H 1 29 ARG QD 5.511 . 5.511 4.300 3.399 4.938 . 0 0 "[ . 1 . 2]" 1
1338 1 29 ARG HA 1 29 ARG QD 4.356 . 4.356 2.841 1.878 4.356 . 0 0 "[ . 1 . 2]" 1
1339 1 29 ARG QG 1 86 TYR QB 5.709 . 5.709 4.427 3.251 5.370 . 0 0 "[ . 1 . 2]" 1
1340 1 29 ARG QD 1 30 ILE HA 5.588 . 5.588 5.309 3.441 5.893 0.305 20 0 "[ . 1 . 2]" 1
1341 1 30 ILE H 1 33 TYR QB 5.874 . 5.874 5.141 4.768 5.417 . 0 0 "[ . 1 . 2]" 1
1342 1 30 ILE HB 1 82 SER QB 4.444 . 4.444 3.215 2.517 3.884 . 0 0 "[ . 1 . 2]" 1
1343 1 30 ILE MG 1 33 TYR QB 4.367 . 4.367 3.596 3.273 3.912 . 0 0 "[ . 1 . 2]" 1
1344 1 30 ILE MG 1 82 SER QB 3.905 . 3.905 2.772 2.104 3.763 . 0 0 "[ . 1 . 2]" 1
1345 1 30 ILE MD 1 33 TYR QB 5.357 . 5.357 4.263 4.012 4.466 . 0 0 "[ . 1 . 2]" 1
1346 1 30 ILE MD 1 82 SER QB 4.719 . 4.719 2.533 2.070 3.079 . 0 0 "[ . 1 . 2]" 1
1347 1 32 PRO HA 1 35 ARG QB 4.422 . 4.422 2.491 2.202 2.916 . 0 0 "[ . 1 . 2]" 1
1348 1 33 TYR HA 1 36 GLN QB 4.180 . 4.180 3.288 2.456 4.284 0.104 20 0 "[ . 1 . 2]" 1
1349 1 33 TYR QB 1 34 LEU H 3.707 . 3.707 2.563 2.395 2.684 . 0 0 "[ . 1 . 2]" 1
1350 1 33 TYR QB 1 35 ARG H 5.874 . 5.874 4.732 4.600 4.867 . 0 0 "[ . 1 . 2]" 1
1351 1 33 TYR QB 1 86 TYR QE 4.334 . 4.334 3.073 2.346 3.735 . 0 0 "[ . 1 . 2]" 1
1352 1 33 TYR QD 1 82 SER QB 4.169 . 4.169 2.617 2.077 3.918 . 0 0 "[ . 1 . 2]" 1
1353 1 34 LEU HA 1 37 CYS QB 4.158 . 4.158 2.446 2.038 2.760 . 0 0 "[ . 1 . 2]" 1
1354 1 34 LEU HB3 1 37 CYS QB 5.324 . 5.324 4.280 3.857 4.536 . 0 0 "[ . 1 . 2]" 1
1355 1 34 LEU HG 1 82 SER QB 4.928 . 4.928 4.426 3.744 4.921 . 0 0 "[ . 1 . 2]" 1
1356 1 34 LEU MD2 1 37 CYS QB 5.445 . 5.445 3.411 2.994 3.742 . 0 0 "[ . 1 . 2]" 1
1357 1 35 ARG H 1 35 ARG QB 3.894 . 3.894 2.408 2.269 2.515 . 0 0 "[ . 1 . 2]" 1
1358 1 35 ARG H 1 35 ARG QD 5.082 . 5.082 3.956 3.475 4.543 . 0 0 "[ . 1 . 2]" 1
1359 1 35 ARG QB 1 36 GLN H 3.839 . 3.839 2.481 2.210 2.861 . 0 0 "[ . 1 . 2]" 1
1360 1 35 ARG QB 1 36 GLN HA 4.840 . 4.840 3.957 3.837 4.095 . 0 0 "[ . 1 . 2]" 1
1361 1 35 ARG QG 1 36 GLN H 4.983 . 4.983 4.161 3.923 4.451 . 0 0 "[ . 1 . 2]" 1
1362 1 35 ARG QD 1 42 PRO HA 4.400 . 4.400 3.574 2.197 4.468 0.068 3 0 "[ . 1 . 2]" 1
1363 1 35 ARG QD 1 45 GLU HB3 5.412 . 5.412 3.938 2.788 5.132 . 0 0 "[ . 1 . 2]" 1
1364 1 36 GLN H 1 36 GLN QB 3.311 . 3.311 2.381 2.171 2.694 . 0 0 "[ . 1 . 2]" 1
1365 1 36 GLN HA 1 36 GLN QG 3.916 . 3.916 2.963 2.488 3.551 . 0 0 "[ . 1 . 2]" 1
1366 1 36 GLN QG 1 37 CYS H 5.236 . 5.236 3.313 2.354 4.461 . 0 0 "[ . 1 . 2]" 1
1367 1 36 GLN QE 1 37 CYS QB 5.225 . 5.225 4.687 3.678 5.397 0.172 1 0 "[ . 1 . 2]" 1
1368 1 37 CYS H 1 37 CYS QB 3.399 . 3.399 2.335 2.279 2.449 . 0 0 "[ . 1 . 2]" 1
1369 1 37 CYS HA 1 38 LYS QG 5.874 . 5.874 4.298 3.583 5.383 . 0 0 "[ . 1 . 2]" 1
1370 1 37 CYS QB 1 38 LYS H 4.653 . 4.653 3.321 3.178 3.549 . 0 0 "[ . 1 . 2]" 1
1371 1 37 CYS QB 1 38 LYS QG 5.698 . 5.698 5.261 4.811 5.873 0.175 16 0 "[ . 1 . 2]" 1
1372 1 37 CYS QB 1 39 VAL H 4.686 . 4.686 3.056 2.724 3.667 . 0 0 "[ . 1 . 2]" 1
1373 1 37 CYS QB 1 39 VAL MG2 3.630 . 3.630 2.297 2.030 2.636 . 0 0 "[ . 1 . 2]" 1
1374 1 38 LYS H 1 38 LYS QG 3.751 . 3.751 3.074 2.696 3.572 . 0 0 "[ . 1 . 2]" 1
1375 1 38 LYS H 1 38 LYS QD 4.433 . 4.433 3.013 2.286 4.519 0.086 15 0 "[ . 1 . 2]" 1
1376 1 38 LYS HA 1 38 LYS QG 3.575 . 3.575 2.788 2.364 3.086 . 0 0 "[ . 1 . 2]" 1
1377 1 38 LYS HA 1 38 LYS QD 4.433 . 4.433 2.580 1.926 4.277 . 0 0 "[ . 1 . 2]" 1
1378 1 38 LYS QB 1 39 VAL H 4.587 . 4.587 3.790 3.631 3.952 . 0 0 "[ . 1 . 2]" 1
1379 1 38 LYS QG 1 39 VAL H 5.621 . 5.621 4.821 4.528 5.019 . 0 0 "[ . 1 . 2]" 1
1380 1 39 VAL MG1 1 74 LYS QB 4.290 . 4.290 2.937 1.946 3.913 . 0 0 "[ . 1 . 2]" 1
1381 1 40 LEU HB2 1 44 ASP QB 5.874 . 5.874 4.736 4.486 5.037 . 0 0 "[ . 1 . 2]" 1
1382 1 40 LEU HB3 1 44 ASP QB 4.851 . 4.851 4.783 4.585 5.052 0.201 1 0 "[ . 1 . 2]" 1
1383 1 40 LEU HG 1 44 ASP QB 4.917 . 4.917 2.574 2.245 2.887 . 0 0 "[ . 1 . 2]" 1
1384 1 41 ASN H 1 41 ASN QD 5.181 . 5.181 2.698 2.125 4.387 . 0 0 "[ . 1 . 2]" 1
1385 1 41 ASN QD 1 42 PRO QD 5.797 . 5.797 4.419 2.335 4.778 . 0 0 "[ . 1 . 2]" 1
1386 1 43 ASP H 1 43 ASP QB 3.520 . 3.520 2.544 2.443 2.704 . 0 0 "[ . 1 . 2]" 1
1387 1 43 ASP QB 1 44 ASP H 4.147 . 4.147 2.702 2.281 3.697 . 0 0 "[ . 1 . 2]" 1
1388 1 44 ASP H 1 44 ASP QB 3.564 . 3.564 2.452 2.116 2.619 . 0 0 "[ . 1 . 2]" 1
1389 1 44 ASP QB 1 45 GLU H 3.476 . 3.476 2.570 2.255 2.915 . 0 0 "[ . 1 . 2]" 1
1390 1 44 ASP QB 1 67 ILE MG 4.114 . 4.114 2.803 2.350 3.413 . 0 0 "[ . 1 . 2]" 1
1391 1 44 ASP QB 1 67 ILE MD 3.817 . 3.817 2.707 1.643 3.851 0.034 14 0 "[ . 1 . 2]" 1
1392 1 46 GLU QG 1 47 GLN H 5.379 . 5.379 3.805 3.495 4.253 . 0 0 "[ . 1 . 2]" 1
1393 1 47 GLN H 1 47 GLN QG 4.840 . 4.840 4.027 3.990 4.111 . 0 0 "[ . 1 . 2]" 1
1394 1 47 GLN HA 1 47 GLN QG 3.949 . 3.949 2.676 2.443 3.176 . 0 0 "[ . 1 . 2]" 1
1395 1 47 GLN QG 1 48 VAL MG2 5.247 . 5.247 3.659 2.906 4.185 . 0 0 "[ . 1 . 2]" 1
1396 1 47 GLN QE 1 63 VAL MG1 4.983 . 4.983 2.945 1.879 4.671 . 0 0 "[ . 1 . 2]" 1
1397 1 47 GLN QE 1 67 ILE MD 5.269 . 5.269 3.398 1.775 5.219 . 0 0 "[ . 1 . 2]" 1
1398 1 49 LEU HA 1 60 LYS QE 5.291 . 5.291 5.098 4.206 5.582 0.291 20 0 "[ . 1 . 2]" 1
1399 1 49 LEU HB2 1 50 SER QB 5.874 . 5.874 5.130 4.766 5.507 . 0 0 "[ . 1 . 2]" 1
1400 1 49 LEU MD2 1 60 LYS QE 5.808 . 5.808 5.644 4.546 6.032 0.224 20 0 "[ . 1 . 2]" 1
1401 1 50 SER H 1 50 SER QB 3.608 . 3.608 2.360 2.268 2.654 . 0 0 "[ . 1 . 2]" 1
1402 1 50 SER QB 1 51 ASP H 4.730 . 4.730 3.244 2.724 4.000 . 0 0 "[ . 1 . 2]" 1
1403 1 51 ASP HA 1 52 PRO QD 3.256 . 3.256 2.057 1.962 2.195 . 0 0 "[ . 1 . 2]" 1
1404 1 51 ASP QB 1 52 PRO QD 4.499 . 4.499 3.373 2.553 3.864 . 0 0 "[ . 1 . 2]" 1
1405 1 51 ASP QB 1 54 LEU QB 5.082 . 5.082 4.072 3.419 4.871 . 0 0 "[ . 1 . 2]" 1
1406 1 51 ASP QB 1 54 LEU MD1 4.488 . 4.488 3.887 2.517 4.559 0.071 11 0 "[ . 1 . 2]" 1
1407 1 51 ASP QB 1 55 VAL H 5.874 . 5.874 3.638 2.506 4.637 . 0 0 "[ . 1 . 2]" 1
1408 1 51 ASP QB 1 56 ILE HB 5.830 . 5.830 3.966 2.989 4.806 . 0 0 "[ . 1 . 2]" 1
1409 1 51 ASP QB 1 56 ILE QG 5.698 . 5.698 4.130 2.937 4.929 . 0 0 "[ . 1 . 2]" 1
1410 1 51 ASP QB 1 56 ILE MD 4.961 . 4.961 4.328 3.229 5.249 0.288 19 0 "[ . 1 . 2]" 1
1411 1 52 PRO QG 1 53 ASN H 4.246 . 4.246 2.628 2.117 3.785 . 0 0 "[ . 1 . 2]" 1
1412 1 52 PRO QG 1 53 ASN QB 5.016 . 5.016 3.914 3.472 4.969 . 0 0 "[ . 1 . 2]" 1
1413 1 52 PRO QD 1 53 ASN H 4.180 . 4.180 2.561 2.167 3.007 . 0 0 "[ . 1 . 2]" 1
1414 1 53 ASN H 1 53 ASN QD 4.796 . 4.796 3.398 2.155 4.571 . 0 0 "[ . 1 . 2]" 1
1415 1 53 ASN HA 1 55 VAL QG 5.984 . 5.984 4.260 3.567 5.430 . 0 0 "[ . 1 . 2]" 1
1416 1 53 ASN QB 1 55 VAL QG 4.884 . 4.884 2.190 1.866 3.222 . 0 0 "[ . 1 . 2]" 1
1417 1 54 LEU QB 1 55 VAL HA 5.159 . 5.159 4.476 4.232 4.673 . 0 0 "[ . 1 . 2]" 1
1418 1 55 VAL H 1 55 VAL QG 3.597 . 3.597 2.086 1.870 2.459 . 0 0 "[ . 1 . 2]" 1
1419 1 55 VAL QG 1 56 ILE H 4.411 . 4.411 2.979 2.368 3.555 . 0 0 "[ . 1 . 2]" 1
1420 1 56 ILE H 1 56 ILE QG 3.564 . 3.564 2.111 1.945 2.308 . 0 0 "[ . 1 . 2]" 1
1421 1 56 ILE HB 1 60 LYS QG 4.840 . 4.840 3.097 2.646 3.547 . 0 0 "[ . 1 . 2]" 1
1422 1 56 ILE HB 1 60 LYS QD 4.785 . 4.785 3.247 2.072 4.750 . 0 0 "[ . 1 . 2]" 1
1423 1 56 ILE MG 1 60 LYS QG 4.147 . 4.147 2.645 2.018 3.428 . 0 0 "[ . 1 . 2]" 1
1424 1 57 ARG HA 1 57 ARG QG 3.685 . 3.685 2.789 2.395 3.521 . 0 0 "[ . 1 . 2]" 1
1425 1 57 ARG QB 1 58 LYS H 4.521 . 4.521 2.922 2.234 3.693 . 0 0 "[ . 1 . 2]" 1
1426 1 58 LYS H 1 58 LYS QB 3.652 . 3.652 2.379 2.210 2.599 . 0 0 "[ . 1 . 2]" 1
1427 1 58 LYS H 1 58 LYS QG 4.829 . 4.829 3.096 1.979 4.071 . 0 0 "[ . 1 . 2]" 1
1428 1 58 LYS QB 1 59 ARG H 4.202 . 4.202 2.757 2.245 3.633 . 0 0 "[ . 1 . 2]" 1
1429 1 58 LYS QG 1 59 ARG H 4.972 . 4.972 3.902 2.490 4.749 . 0 0 "[ . 1 . 2]" 1
1430 1 58 LYS QD 1 59 ARG H 5.566 . 5.566 4.665 3.507 5.398 . 0 0 "[ . 1 . 2]" 1
1431 1 59 ARG H 1 60 LYS QG 4.873 . 4.873 4.043 3.642 4.506 . 0 0 "[ . 1 . 2]" 1
1432 1 59 ARG QG 1 62 GLY H 5.841 . 5.841 5.189 4.864 5.870 0.029 7 0 "[ . 1 . 2]" 1
1433 1 59 ARG QG 1 62 GLY HA3 5.764 . 5.764 5.115 4.644 5.944 0.180 7 0 "[ . 1 . 2]" 1
1434 1 60 LYS H 1 60 LYS QG 3.762 . 3.762 2.298 2.073 2.660 . 0 0 "[ . 1 . 2]" 1
1435 1 60 LYS H 1 60 LYS QD 5.401 . 5.401 3.718 3.137 4.359 . 0 0 "[ . 1 . 2]" 1
1436 1 63 VAL HA 1 66 ASP QB 3.905 . 3.905 2.788 2.002 3.520 . 0 0 "[ . 1 . 2]" 1
1437 1 66 ASP H 1 67 ILE QG 5.698 . 5.698 4.360 4.034 5.764 0.066 12 0 "[ . 1 . 2]" 1
1438 1 66 ASP HA 1 69 GLN QB 4.917 . 4.917 2.892 1.928 4.002 . 0 0 "[ . 1 . 2]" 1
1439 1 66 ASP QB 1 67 ILE H 3.718 . 3.718 2.675 2.445 2.967 . 0 0 "[ . 1 . 2]" 1
1440 1 66 ASP QB 1 67 ILE MD 5.874 . 5.874 4.448 2.534 4.950 . 0 0 "[ . 1 . 2]" 1
1441 1 67 ILE H 1 67 ILE QG 3.608 . 3.608 2.280 2.096 3.486 . 0 0 "[ . 1 . 2]" 1
1442 1 67 ILE HA 1 70 ARG QG 5.874 . 5.874 3.351 2.256 4.996 . 0 0 "[ . 1 . 2]" 1
1443 1 67 ILE QG 1 68 LEU H 5.610 . 5.610 4.112 3.988 4.653 . 0 0 "[ . 1 . 2]" 1
1444 1 69 GLN H 1 69 GLN QB 3.509 . 3.509 2.335 2.110 2.651 . 0 0 "[ . 1 . 2]" 1
1445 1 69 GLN QB 1 70 ARG H 4.213 . 4.213 2.927 2.478 3.771 . 0 0 "[ . 1 . 2]" 1
1446 1 70 ARG H 1 70 ARG QB 3.399 . 3.399 2.469 2.242 2.672 . 0 0 "[ . 1 . 2]" 1
1447 1 70 ARG H 1 70 ARG QG 3.641 . 3.641 2.368 1.960 3.573 . 0 0 "[ . 1 . 2]" 1
1448 1 70 ARG H 1 70 ARG QD 5.313 . 5.313 3.683 2.334 4.596 . 0 0 "[ . 1 . 2]" 1
1449 1 70 ARG QB 1 71 THR H 4.334 . 4.334 3.255 2.650 3.846 . 0 0 "[ . 1 . 2]" 1
1450 1 70 ARG QB 1 72 GLY H 5.874 . 5.874 4.674 4.420 5.145 . 0 0 "[ . 1 . 2]" 1
1451 1 71 THR HB 1 74 LYS QB 4.807 . 4.807 2.642 1.915 4.327 . 0 0 "[ . 1 . 2]" 1
1452 1 73 HIS HA 1 76 TYR QB 4.301 . 4.301 2.526 2.142 2.996 . 0 0 "[ . 1 . 2]" 1
1453 1 73 HIS QB 1 74 LYS H 3.916 . 3.916 3.018 2.741 3.250 . 0 0 "[ . 1 . 2]" 1
1454 1 73 HIS QB 1 76 TYR H 5.874 . 5.874 4.930 4.626 5.157 . 0 0 "[ . 1 . 2]" 1
1455 1 74 LYS H 1 74 LYS QB 3.399 . 3.399 2.322 2.151 2.575 . 0 0 "[ . 1 . 2]" 1
1456 1 74 LYS H 1 74 LYS QG 4.950 . 4.950 3.311 2.140 4.034 . 0 0 "[ . 1 . 2]" 1
1457 1 74 LYS QB 1 75 GLY H 3.685 . 3.685 2.582 2.308 3.681 . 0 0 "[ . 1 . 2]" 1
1458 1 74 LYS QB 1 75 GLY HA3 5.874 . 5.874 4.421 4.094 5.402 . 0 0 "[ . 1 . 2]" 1
1459 1 74 LYS QG 1 77 VAL MG2 4.378 . 4.378 4.337 3.521 4.651 0.273 18 0 "[ . 1 . 2]" 1
1460 1 75 GLY HA3 1 76 TYR QB 5.874 . 5.874 4.575 4.475 4.675 . 0 0 "[ . 1 . 2]" 1
1461 1 76 TYR H 1 76 TYR QB 3.366 . 3.366 2.235 2.178 2.285 . 0 0 "[ . 1 . 2]" 1
1462 1 76 TYR QB 1 77 VAL H 3.817 . 3.817 2.596 2.440 2.745 . 0 0 "[ . 1 . 2]" 1
1463 1 76 TYR QB 1 77 VAL MG2 5.214 . 5.214 3.291 3.168 3.442 . 0 0 "[ . 1 . 2]" 1
1464 1 77 VAL MG1 1 81 GLU QG 3.729 . 3.729 2.592 2.249 2.878 . 0 0 "[ . 1 . 2]" 1
1465 1 78 ALA HA 1 81 GLU QG 5.313 . 5.313 3.225 2.620 3.761 . 0 0 "[ . 1 . 2]" 1
1466 1 80 LEU H 1 81 GLU QG 5.874 . 5.874 4.416 4.221 4.661 . 0 0 "[ . 1 . 2]" 1
1467 1 81 GLU H 1 81 GLU QG 3.795 . 3.795 2.368 2.199 2.564 . 0 0 "[ . 1 . 2]" 1
1468 1 81 GLU HA 1 81 GLU QG 3.751 . 3.751 2.668 2.397 3.097 . 0 0 "[ . 1 . 2]" 1
1469 1 81 GLU HA 1 84 GLU QG 5.874 . 5.874 4.364 3.032 5.318 . 0 0 "[ . 1 . 2]" 1
1470 1 82 SER H 1 82 SER QB 3.586 . 3.586 2.431 2.268 2.570 . 0 0 "[ . 1 . 2]" 1
1471 1 82 SER QB 1 83 LEU H 4.367 . 4.367 3.049 2.429 3.595 . 0 0 "[ . 1 . 2]" 1
1472 1 82 SER QB 1 86 TYR QD 4.939 . 4.939 3.379 2.600 4.142 . 0 0 "[ . 1 . 2]" 1
1473 1 82 SER QB 1 86 TYR QE 5.665 . 5.665 3.867 3.107 4.414 . 0 0 "[ . 1 . 2]" 1
1474 1 83 LEU HA 1 87 TYR QB 4.444 . 4.444 2.798 2.240 3.266 . 0 0 "[ . 1 . 2]" 1
1475 1 83 LEU MD1 1 93 LYS QB 5.874 . 5.874 5.503 5.263 5.898 0.024 13 0 "[ . 1 . 2]" 1
1476 1 83 LEU MD2 1 87 TYR QB 3.927 . 3.927 2.724 2.114 3.054 . 0 0 "[ . 1 . 2]" 1
1477 1 84 GLU HA 1 84 GLU QG 3.773 . 3.773 2.750 2.417 3.126 . 0 0 "[ . 1 . 2]" 1
1478 1 84 GLU HA 1 88 PRO QB 5.027 . 5.027 3.878 2.785 4.869 . 0 0 "[ . 1 . 2]" 1
1479 1 84 GLU QG 1 85 LEU H 4.653 . 4.653 3.951 3.692 4.483 . 0 0 "[ . 1 . 2]" 1
1480 1 84 GLU QG 1 91 TYR QD 4.972 . 4.972 3.997 3.060 4.959 . 0 0 "[ . 1 . 2]" 1
1481 1 84 GLU QG 1 91 TYR QE 5.401 . 5.401 3.992 3.049 4.632 . 0 0 "[ . 1 . 2]" 1
1482 1 87 TYR QB 1 89 GLN H 5.577 . 5.577 4.384 3.855 4.809 . 0 0 "[ . 1 . 2]" 1
1483 1 87 TYR QB 1 90 LEU H 3.927 . 3.927 3.058 2.679 3.562 . 0 0 "[ . 1 . 2]" 1
1484 1 87 TYR QB 1 90 LEU HA 5.874 . 5.874 4.544 4.372 4.757 . 0 0 "[ . 1 . 2]" 1
1485 1 87 TYR QB 1 90 LEU HB2 3.960 . 3.960 2.687 2.487 2.931 . 0 0 "[ . 1 . 2]" 1
1486 1 87 TYR QB 1 90 LEU HB3 4.081 . 4.081 2.118 1.894 2.426 . 0 0 "[ . 1 . 2]" 1
1487 1 87 TYR QB 1 90 LEU MD1 4.752 . 4.752 4.234 4.063 4.496 . 0 0 "[ . 1 . 2]" 1
1488 1 87 TYR QB 1 90 LEU MD2 3.740 . 3.740 2.551 2.271 3.022 . 0 0 "[ . 1 . 2]" 1
1489 1 87 TYR QB 1 91 TYR H 4.972 . 4.972 3.579 3.339 3.754 . 0 0 "[ . 1 . 2]" 1
1490 1 89 GLN QB 1 90 LEU H 3.971 . 3.971 3.101 2.284 3.587 . 0 0 "[ . 1 . 2]" 1
1491 1 89 GLN QG 1 90 LEU H 4.642 . 4.642 3.189 2.073 4.234 . 0 0 "[ . 1 . 2]" 1
1492 1 90 LEU HA 1 93 LYS QB 3.806 . 3.806 2.677 2.236 3.107 . 0 0 "[ . 1 . 2]" 1
1493 1 91 TYR QD 1 92 LYS QG 5.742 . 5.742 3.065 2.052 4.428 . 0 0 "[ . 1 . 2]" 1
1494 1 92 LYS HA 1 92 LYS QG 3.894 . 3.894 2.669 2.417 3.384 . 0 0 "[ . 1 . 2]" 1
1495 1 92 LYS HA 1 97 LYS QB 5.302 . 5.302 3.312 2.298 5.466 0.164 19 0 "[ . 1 . 2]" 1
1496 1 92 LYS QG 1 93 LYS H 5.401 . 5.401 4.176 2.409 4.798 . 0 0 "[ . 1 . 2]" 1
1497 1 92 LYS QG 1 97 LYS H 5.874 . 5.874 4.834 4.106 5.830 . 0 0 "[ . 1 . 2]" 1
1498 1 93 LYS H 1 93 LYS QB 3.542 . 3.542 2.334 2.200 2.540 . 0 0 "[ . 1 . 2]" 1
1499 1 93 LYS H 1 93 LYS QG 4.741 . 4.741 3.291 2.191 4.077 . 0 0 "[ . 1 . 2]" 1
1500 1 93 LYS HA 1 93 LYS QD 4.356 . 4.356 3.389 2.051 4.353 . 0 0 "[ . 1 . 2]" 1
1501 1 93 LYS QB 1 94 VAL H 3.476 . 3.476 2.559 2.393 2.806 . 0 0 "[ . 1 . 2]" 1
1502 1 93 LYS QB 1 94 VAL MG1 5.874 . 5.874 5.157 4.965 5.370 . 0 0 "[ . 1 . 2]" 1
1503 1 93 LYS QB 1 95 THR H 5.874 . 5.874 4.889 4.690 5.077 . 0 0 "[ . 1 . 2]" 1
1504 1 93 LYS QG 1 94 VAL H 4.796 . 4.796 3.823 3.295 4.294 . 0 0 "[ . 1 . 2]" 1
1505 1 97 LYS H 1 97 LYS QB 3.322 . 3.322 2.613 2.404 3.244 . 0 0 "[ . 1 . 2]" 1
1506 1 97 LYS H 1 97 LYS QD 5.874 . 5.874 4.058 2.227 5.081 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 14.465
_Distance_constraint_stats_list.Viol_max 0.151
_Distance_constraint_stats_list.Viol_rms 0.0519
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0362
_Distance_constraint_stats_list.Viol_average_violations_only 0.0804
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 10 CYS 0.723 0.151 18 0 "[ . 1 . 2]"
1 73 HIS 0.723 0.151 18 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 10 CYS SG 1 73 HIS ND1 3.400 3.200 3.600 3.271 3.049 3.597 0.151 18 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 60
_Distance_constraint_stats_list.Viol_count 657
_Distance_constraint_stats_list.Viol_total 627.841
_Distance_constraint_stats_list.Viol_max 0.159
_Distance_constraint_stats_list.Viol_rms 0.0331
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0262
_Distance_constraint_stats_list.Viol_average_violations_only 0.0478
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 14 LEU 2.144 0.135 16 0 "[ . 1 . 2]"
1 15 GLU 2.682 0.122 10 0 "[ . 1 . 2]"
1 17 PHE 2.333 0.135 16 0 "[ . 1 . 2]"
1 18 ARG 2.987 0.122 10 0 "[ . 1 . 2]"
1 20 THR 1.091 0.083 9 0 "[ . 1 . 2]"
1 21 LEU 0.711 0.068 13 0 "[ . 1 . 2]"
1 22 THR 0.304 0.047 3 0 "[ . 1 . 2]"
1 24 VAL 1.091 0.083 9 0 "[ . 1 . 2]"
1 25 ILE 0.521 0.068 13 0 "[ . 1 . 2]"
1 30 ILE 0.383 0.051 16 0 "[ . 1 . 2]"
1 31 THR 1.415 0.110 13 0 "[ . 1 . 2]"
1 32 PRO 1.275 0.070 5 0 "[ . 1 . 2]"
1 34 LEU 0.383 0.051 16 0 "[ . 1 . 2]"
1 35 ARG 3.125 0.129 14 0 "[ . 1 . 2]"
1 36 GLN 1.275 0.070 5 0 "[ . 1 . 2]"
1 38 LYS 1.710 0.129 14 0 "[ . 1 . 2]"
1 44 ASP 1.071 0.118 13 0 "[ . 1 . 2]"
1 45 GLU 0.426 0.065 12 0 "[ . 1 . 2]"
1 48 VAL 1.071 0.118 13 0 "[ . 1 . 2]"
1 49 LEU 0.426 0.065 12 0 "[ . 1 . 2]"
1 56 ILE 1.104 0.083 9 0 "[ . 1 . 2]"
1 57 ARG 0.836 0.159 9 0 "[ . 1 . 2]"
1 59 ARG 0.642 0.056 8 0 "[ . 1 . 2]"
1 60 LYS 1.913 0.083 9 0 "[ . 1 . 2]"
1 61 VAL 1.409 0.159 9 0 "[ . 1 . 2]"
1 63 VAL 0.642 0.056 8 0 "[ . 1 . 2]"
1 64 LEU 1.030 0.079 8 0 "[ . 1 . 2]"
1 65 LEU 2.299 0.142 19 0 "[ . 1 . 2]"
1 68 LEU 2.395 0.134 18 0 "[ . 1 . 2]"
1 69 GLN 3.598 0.142 19 0 "[ . 1 . 2]"
1 71 THR 2.174 0.134 18 0 "[ . 1 . 2]"
1 72 GLY 1.872 0.126 18 0 "[ . 1 . 2]"
1 75 GLY 1.013 0.070 13 0 "[ . 1 . 2]"
1 76 TYR 1.103 0.073 18 0 "[ . 1 . 2]"
1 77 VAL 0.377 0.068 15 0 "[ . 1 . 2]"
1 78 ALA 0.981 0.070 16 0 "[ . 1 . 2]"
1 79 PHE 1.013 0.070 13 0 "[ . 1 . 2]"
1 80 LEU 1.512 0.073 18 0 "[ . 1 . 2]"
1 81 GLU 1.391 0.072 8 0 "[ . 1 . 2]"
1 82 SER 1.930 0.074 17 0 "[ . 1 . 2]"
1 84 GLU 0.409 0.051 9 0 "[ . 1 . 2]"
1 85 LEU 1.014 0.072 8 0 "[ . 1 . 2]"
1 86 TYR 0.949 0.074 17 0 "[ . 1 . 2]"
1 87 TYR 1.138 0.072 15 0 "[ . 1 . 2]"
1 90 LEU 1.240 0.097 10 0 "[ . 1 . 2]"
1 91 TYR 1.138 0.072 15 0 "[ . 1 . 2]"
1 94 VAL 1.240 0.097 10 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 14 LEU O 1 17 PHE H 2.000 . 2.000 2.107 2.072 2.135 0.135 16 0 "[ . 1 . 2]" 3
2 1 14 LEU O 1 17 PHE N 3.000 . 3.000 2.935 2.892 2.979 . 0 0 "[ . 1 . 2]" 3
3 1 15 GLU O 1 18 ARG H 2.000 . 2.000 2.095 2.064 2.122 0.122 10 0 "[ . 1 . 2]" 3
4 1 15 GLU O 1 18 ARG N 3.000 . 3.000 3.038 2.987 3.069 0.069 2 0 "[ . 1 . 2]" 3
5 1 17 PHE O 1 21 LEU H 2.000 . 2.000 1.990 1.929 2.032 0.032 2 0 "[ . 1 . 2]" 3
6 1 17 PHE O 1 21 LEU N 3.000 . 3.000 2.945 2.855 3.004 0.004 10 0 "[ . 1 . 2]" 3
7 1 18 ARG O 1 22 THR H 2.000 . 2.000 2.004 1.937 2.047 0.047 3 0 "[ . 1 . 2]" 3
8 1 18 ARG O 1 22 THR N 3.000 . 3.000 2.962 2.876 3.027 0.027 3 0 "[ . 1 . 2]" 3
9 1 20 THR O 1 24 VAL H 2.000 . 2.000 2.054 2.003 2.083 0.083 9 0 "[ . 1 . 2]" 3
10 1 20 THR O 1 24 VAL N 3.000 . 3.000 2.949 2.868 3.014 0.014 17 0 "[ . 1 . 2]" 3
11 1 21 LEU O 1 25 ILE H 2.000 . 2.000 2.021 1.936 2.068 0.068 13 0 "[ . 1 . 2]" 3
12 1 21 LEU O 1 25 ILE N 3.000 . 3.000 2.936 2.841 2.998 . 0 0 "[ . 1 . 2]" 3
13 1 30 ILE O 1 34 LEU H 2.000 . 2.000 2.016 1.979 2.051 0.051 16 0 "[ . 1 . 2]" 3
14 1 30 ILE O 1 34 LEU N 3.000 . 3.000 2.931 2.831 3.000 0.000 5 0 "[ . 1 . 2]" 3
15 1 31 THR O 1 35 ARG H 2.000 . 2.000 2.061 2.015 2.110 0.110 13 0 "[ . 1 . 2]" 3
16 1 31 THR O 1 35 ARG N 3.000 . 3.000 2.983 2.911 3.073 0.073 13 0 "[ . 1 . 2]" 3
17 1 32 PRO O 1 36 GLN H 2.000 . 2.000 2.052 2.028 2.070 0.070 5 0 "[ . 1 . 2]" 3
18 1 32 PRO O 1 36 GLN N 3.000 . 3.000 2.997 2.891 3.040 0.040 15 0 "[ . 1 . 2]" 3
19 1 35 ARG O 1 38 LYS H 2.000 . 2.000 2.085 2.055 2.129 0.129 14 0 "[ . 1 . 2]" 3
20 1 35 ARG O 1 38 LYS N 3.000 . 3.000 2.929 2.897 3.005 0.005 7 0 "[ . 1 . 2]" 3
21 1 44 ASP O 1 48 VAL H 2.000 . 2.000 2.034 1.919 2.118 0.118 13 0 "[ . 1 . 2]" 3
22 1 44 ASP O 1 48 VAL N 3.000 . 3.000 2.980 2.882 3.074 0.074 13 0 "[ . 1 . 2]" 3
23 1 45 GLU O 1 49 LEU H 2.000 . 2.000 2.015 1.963 2.065 0.065 12 0 "[ . 1 . 2]" 3
24 1 45 GLU O 1 49 LEU N 3.000 . 3.000 2.930 2.846 3.012 0.012 12 0 "[ . 1 . 2]" 3
25 1 56 ILE O 1 60 LYS H 2.000 . 2.000 2.050 2.010 2.083 0.083 9 0 "[ . 1 . 2]" 3
26 1 56 ILE O 1 60 LYS N 3.000 . 3.000 2.983 2.928 3.039 0.039 14 0 "[ . 1 . 2]" 3
27 1 57 ARG O 1 61 VAL H 2.000 . 2.000 2.025 1.952 2.159 0.159 9 0 "[ . 1 . 2]" 3
28 1 57 ARG O 1 61 VAL N 3.000 . 3.000 2.976 2.888 3.071 0.071 18 0 "[ . 1 . 2]" 3
29 1 59 ARG O 1 63 VAL H 2.000 . 2.000 2.024 1.923 2.056 0.056 8 0 "[ . 1 . 2]" 3
30 1 59 ARG O 1 63 VAL N 3.000 . 3.000 2.960 2.858 3.021 0.021 20 0 "[ . 1 . 2]" 3
31 1 60 LYS O 1 64 LEU H 2.000 . 2.000 2.040 2.007 2.079 0.079 8 0 "[ . 1 . 2]" 3
32 1 60 LYS O 1 64 LEU N 3.000 . 3.000 2.906 2.820 2.990 . 0 0 "[ . 1 . 2]" 3
33 1 61 VAL O 1 65 LEU H 2.000 . 2.000 2.025 1.972 2.075 0.075 16 0 "[ . 1 . 2]" 3
34 1 61 VAL O 1 65 LEU N 3.000 . 3.000 2.937 2.826 3.013 0.013 16 0 "[ . 1 . 2]" 3
35 1 64 LEU O 1 68 LEU H 2.000 . 2.000 1.977 1.893 2.063 0.063 8 0 "[ . 1 . 2]" 3
36 1 64 LEU O 1 68 LEU N 3.000 . 3.000 2.900 2.796 3.031 0.031 8 0 "[ . 1 . 2]" 3
37 1 65 LEU O 1 69 GLN H 2.000 . 2.000 2.083 2.045 2.142 0.142 19 0 "[ . 1 . 2]" 3
38 1 65 LEU O 1 69 GLN N 3.000 . 3.000 2.958 2.898 3.042 0.042 5 0 "[ . 1 . 2]" 3
39 1 68 LEU O 1 71 THR H 2.000 . 2.000 2.094 2.041 2.134 0.134 18 0 "[ . 1 . 2]" 3
40 1 68 LEU O 1 71 THR N 3.000 . 3.000 3.000 2.931 3.047 0.047 5 0 "[ . 1 . 2]" 3
41 1 69 GLN O 1 72 GLY H 2.000 . 2.000 2.087 2.048 2.126 0.126 18 0 "[ . 1 . 2]" 3
42 1 69 GLN O 1 72 GLY N 3.000 . 3.000 2.981 2.879 3.044 0.044 19 0 "[ . 1 . 2]" 3
43 1 75 GLY O 1 79 PHE H 2.000 . 2.000 2.051 2.038 2.070 0.070 13 0 "[ . 1 . 2]" 3
44 1 75 GLY O 1 79 PHE N 3.000 . 3.000 2.896 2.859 2.961 . 0 0 "[ . 1 . 2]" 3
45 1 76 TYR O 1 80 LEU H 2.000 . 2.000 2.047 1.992 2.073 0.073 18 0 "[ . 1 . 2]" 3
46 1 76 TYR O 1 80 LEU N 3.000 . 3.000 2.988 2.914 3.042 0.042 18 0 "[ . 1 . 2]" 3
47 1 77 VAL O 1 81 GLU H 2.000 . 2.000 2.010 1.946 2.068 0.068 15 0 "[ . 1 . 2]" 3
48 1 77 VAL O 1 81 GLU N 3.000 . 3.000 2.920 2.825 3.013 0.013 11 0 "[ . 1 . 2]" 3
49 1 78 ALA O 1 82 SER H 2.000 . 2.000 2.046 2.012 2.070 0.070 16 0 "[ . 1 . 2]" 3
50 1 78 ALA O 1 82 SER N 3.000 . 3.000 2.965 2.897 3.031 0.031 12 0 "[ . 1 . 2]" 3
51 1 80 LEU O 1 84 GLU H 2.000 . 2.000 2.011 1.967 2.051 0.051 9 0 "[ . 1 . 2]" 3
52 1 80 LEU O 1 84 GLU N 3.000 . 3.000 2.956 2.818 3.019 0.019 19 0 "[ . 1 . 2]" 3
53 1 81 GLU O 1 85 LEU H 2.000 . 2.000 2.051 2.024 2.072 0.072 8 0 "[ . 1 . 2]" 3
54 1 81 GLU O 1 85 LEU N 3.000 . 3.000 2.924 2.848 2.975 . 0 0 "[ . 1 . 2]" 3
55 1 82 SER O 1 86 TYR H 2.000 . 2.000 2.047 2.009 2.074 0.074 17 0 "[ . 1 . 2]" 3
56 1 82 SER O 1 86 TYR N 3.000 . 3.000 2.973 2.922 3.002 0.002 7 0 "[ . 1 . 2]" 3
57 1 87 TYR O 1 91 TYR H 2.000 . 2.000 2.047 1.995 2.072 0.072 15 0 "[ . 1 . 2]" 3
58 1 87 TYR O 1 91 TYR N 3.000 . 3.000 2.992 2.907 3.040 0.040 14 0 "[ . 1 . 2]" 3
59 1 90 LEU O 1 94 VAL H 2.000 . 2.000 2.056 2.008 2.097 0.097 10 0 "[ . 1 . 2]" 3
60 1 90 LEU O 1 94 VAL N 3.000 . 3.000 2.985 2.916 3.039 0.039 18 0 "[ . 1 . 2]" 3
stop_
save_
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