NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402822 |
1wg4   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wg4
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 1425
_Distance_constraint_stats_list.Viol_count 1688
_Distance_constraint_stats_list.Viol_total 2329.115
_Distance_constraint_stats_list.Viol_max 0.964
_Distance_constraint_stats_list.Viol_rms 0.0318
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0690
_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 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.073 0.028 16 0 "[ . 1 . 2]"
1 10 PRO 0.073 0.028 16 0 "[ . 1 . 2]"
1 11 THR 0.957 0.378 12 0 "[ . 1 . 2]"
1 12 ARG 0.938 0.316 16 0 "[ . 1 . 2]"
1 13 ARG 6.150 0.887 13 5 "[ * * * 1 + . -]"
1 14 SER 4.248 0.887 13 5 "[ * * * 1 + . -]"
1 15 ASP 0.470 0.189 19 0 "[ . 1 . 2]"
1 16 PHE 0.131 0.047 9 0 "[ . 1 . 2]"
1 17 ARG 2.750 0.897 18 1 "[ . 1 . + 2]"
1 18 VAL 1.858 0.148 16 0 "[ . 1 . 2]"
1 19 LEU 2.656 0.237 16 0 "[ . 1 . 2]"
1 20 VAL 0.511 0.076 9 0 "[ . 1 . 2]"
1 21 SER 0.562 0.039 20 0 "[ . 1 . 2]"
1 22 GLY 0.538 0.138 20 0 "[ . 1 . 2]"
1 23 LEU 7.017 0.349 20 0 "[ . 1 . 2]"
1 24 PRO 7.969 0.665 5 2 "[ + 1 . - 2]"
1 25 PRO 10.164 0.314 2 0 "[ . 1 . 2]"
1 26 SER 8.441 0.514 9 1 "[ . +1 . 2]"
1 27 GLY 0.032 0.032 9 0 "[ . 1 . 2]"
1 28 SER 0.336 0.108 15 0 "[ . 1 . 2]"
1 29 TRP 1.293 0.271 6 0 "[ . 1 . 2]"
1 30 GLN 0.688 0.271 6 0 "[ . 1 . 2]"
1 31 ASP 0.355 0.108 15 0 "[ . 1 . 2]"
1 32 LEU 2.720 0.166 9 0 "[ . 1 . 2]"
1 33 LYS 0.295 0.047 20 0 "[ . 1 . 2]"
1 34 ASP 3.039 0.125 14 0 "[ . 1 . 2]"
1 35 HIS 0.505 0.045 17 0 "[ . 1 . 2]"
1 36 MET 3.851 0.106 20 0 "[ . 1 . 2]"
1 37 ARG 9.767 0.412 15 0 "[ . 1 . 2]"
1 38 GLU 11.654 0.412 15 0 "[ . 1 . 2]"
1 39 ALA 7.046 0.171 10 0 "[ . 1 . 2]"
1 40 GLY 0.103 0.018 11 0 "[ . 1 . 2]"
1 41 ASP 0.704 0.095 19 0 "[ . 1 . 2]"
1 42 VAL 0.984 0.072 19 0 "[ . 1 . 2]"
1 43 CYS 3.973 0.885 17 4 "[* .* - . + 2]"
1 44 TYR 0.703 0.211 10 0 "[ . 1 . 2]"
1 45 ALA 0.326 0.051 1 0 "[ . 1 . 2]"
1 46 ASP 0.538 0.051 1 0 "[ . 1 . 2]"
1 47 VAL 0.952 0.198 4 0 "[ . 1 . 2]"
1 48 GLN 3.429 0.349 14 0 "[ . 1 . 2]"
1 49 LYS 3.176 0.349 14 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 5.250 0.326 7 0 "[ . 1 . 2]"
1 52 MET 3.183 0.344 19 0 "[ . 1 . 2]"
1 53 GLY 1.899 0.344 19 0 "[ . 1 . 2]"
1 54 MET 2.013 0.086 20 0 "[ . 1 . 2]"
1 55 VAL 2.151 0.106 20 0 "[ . 1 . 2]"
1 56 GLU 0.520 0.339 18 0 "[ . 1 . 2]"
1 57 TYR 0.464 0.070 19 0 "[ . 1 . 2]"
1 58 LEU 4.152 0.885 17 4 "[* .* - . + 2]"
1 59 ARG 0.992 0.081 17 0 "[ . 1 . 2]"
1 60 LYS 2.327 0.232 3 0 "[ . 1 . 2]"
1 61 GLU 1.546 0.390 1 0 "[ . 1 . 2]"
1 62 ASP 0.632 0.081 17 0 "[ . 1 . 2]"
1 63 MET 2.061 0.126 17 0 "[ . 1 . 2]"
1 64 GLU 1.501 0.083 19 0 "[ . 1 . 2]"
1 65 TYR 3.146 0.150 19 0 "[ . 1 . 2]"
1 66 ALA 6.309 0.231 19 0 "[ . 1 . 2]"
1 67 LEU 5.953 0.231 19 0 "[ . 1 . 2]"
1 68 ARG 0.090 0.031 8 0 "[ . 1 . 2]"
1 69 LYS 1.300 0.120 17 0 "[ . 1 . 2]"
1 70 LEU 5.219 0.103 8 0 "[ . 1 . 2]"
1 71 ASP 1.966 0.078 14 0 "[ . 1 . 2]"
1 72 ASP 0.663 0.591 10 1 "[ . + . 2]"
1 73 THR 0.048 0.023 9 0 "[ . 1 . 2]"
1 74 LYS 5.891 0.419 8 0 "[ . 1 . 2]"
1 75 PHE 0.998 0.059 12 0 "[ . 1 . 2]"
1 76 ARG 0.137 0.016 4 0 "[ . 1 . 2]"
1 77 SER 1.217 0.964 17 1 "[ . 1 . + 2]"
1 78 HIS 0.086 0.040 9 0 "[ . 1 . 2]"
1 79 GLU 4.707 0.893 17 2 "[ . -1 . + 2]"
1 80 GLY 0.117 0.015 9 0 "[ . 1 . 2]"
1 81 GLU 4.917 0.964 17 2 "[ . -1 . + 2]"
1 82 THR 4.061 0.528 9 1 "[ . +1 . 2]"
1 83 SER 6.396 0.665 5 3 "[ * + 1 . - 2]"
1 84 TYR 7.716 0.594 2 1 "[ + . 1 . 2]"
1 85 ILE 0.493 0.061 20 0 "[ . 1 . 2]"
1 86 ARG 4.832 0.591 10 5 "[* .* +* . - 2]"
1 87 VAL 2.464 0.133 9 0 "[ . 1 . 2]"
1 88 TYR 2.120 0.133 9 0 "[ . 1 . 2]"
1 89 PRO 0.469 0.091 9 0 "[ . 1 . 2]"
1 90 GLU 2.043 0.237 16 0 "[ . 1 . 2]"
1 91 ARG 0.108 0.108 5 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 76 ARG H 1 76 ARG HB2 . . 3.980 2.727 2.551 2.912 . 0 0 "[ . 1 . 2]" 1
2 1 60 LYS H 1 61 GLU H . . 4.220 2.782 2.340 2.860 . 0 0 "[ . 1 . 2]" 1
3 1 59 ARG HA 1 60 LYS H . . 3.390 2.313 2.245 2.773 . 0 0 "[ . 1 . 2]" 1
4 1 59 ARG HB3 1 60 LYS H . . 4.290 3.096 2.060 3.381 . 0 0 "[ . 1 . 2]" 1
5 1 59 ARG QG 1 60 LYS H . . 4.670 4.508 3.936 4.692 0.022 8 0 "[ . 1 . 2]" 1
6 1 60 LYS H 1 60 LYS HB3 . . 3.630 2.483 2.353 2.576 . 0 0 "[ . 1 . 2]" 1
7 1 60 LYS H 1 60 LYS HB2 . . 3.600 2.463 2.387 2.717 . 0 0 "[ . 1 . 2]" 1
8 1 44 TYR HA 1 45 ALA H . . 3.330 2.247 2.204 2.333 . 0 0 "[ . 1 . 2]" 1
9 1 47 VAL HA 1 48 GLN H . . 3.220 2.280 2.243 2.355 . 0 0 "[ . 1 . 2]" 1
10 1 48 GLN H 1 48 GLN HB2 . . 3.660 2.637 2.315 3.760 0.100 2 0 "[ . 1 . 2]" 1
11 1 48 GLN H 1 48 GLN HG3 . . 3.820 3.360 2.746 3.807 . 0 0 "[ . 1 . 2]" 1
12 1 48 GLN H 1 48 GLN HB3 . . 3.720 3.550 3.137 3.725 0.005 7 0 "[ . 1 . 2]" 1
13 1 47 VAL QG 1 48 GLN H . . 3.320 2.363 2.090 3.267 . 0 0 "[ . 1 . 2]" 1
14 1 41 ASP HA 1 42 VAL H . . 3.150 2.280 2.256 2.326 . 0 0 "[ . 1 . 2]" 1
15 1 27 GLY HA2 1 28 SER H . . 3.600 2.316 2.199 2.439 . 0 0 "[ . 1 . 2]" 1
16 1 28 SER H 1 28 SER HB2 . . 4.180 2.844 2.473 3.845 . 0 0 "[ . 1 . 2]" 1
17 1 28 SER H 1 28 SER HB3 . . 4.110 3.669 3.194 3.902 . 0 0 "[ . 1 . 2]" 1
18 1 27 GLY HA3 1 28 SER H . . 3.550 3.010 2.818 3.293 . 0 0 "[ . 1 . 2]" 1
19 1 17 ARG H 1 17 ARG QB . . 3.280 2.953 2.219 3.127 . 0 0 "[ . 1 . 2]" 1
20 1 17 ARG H 1 17 ARG HG2 . . 3.440 2.685 1.975 4.337 0.897 18 1 "[ . 1 . + 2]" 1
21 1 67 LEU MD2 1 88 TYR H . . 3.390 2.857 2.680 3.059 . 0 0 "[ . 1 . 2]" 1
22 1 18 VAL HA 1 19 LEU H . . 3.490 2.203 2.183 2.322 . 0 0 "[ . 1 . 2]" 1
23 1 19 LEU H 1 19 LEU QD . . 3.460 2.820 1.828 3.227 . 0 0 "[ . 1 . 2]" 1
24 1 43 CYS H 1 44 TYR HB3 . . 4.470 4.465 4.335 4.681 0.211 10 0 "[ . 1 . 2]" 1
25 1 15 ASP H 1 16 PHE H . . 3.740 2.911 2.010 3.717 . 0 0 "[ . 1 . 2]" 1
26 1 16 PHE H 1 16 PHE QD . . 4.450 3.238 2.380 3.766 . 0 0 "[ . 1 . 2]" 1
27 1 16 PHE H 1 16 PHE HB2 . . 4.080 2.733 2.485 2.969 . 0 0 "[ . 1 . 2]" 1
28 1 37 ARG H 1 38 GLU H . . 3.730 2.890 2.864 2.924 . 0 0 "[ . 1 . 2]" 1
29 1 34 ASP HA 1 37 ARG H . . 4.910 3.869 3.509 3.976 . 0 0 "[ . 1 . 2]" 1
30 1 37 ARG H 1 37 ARG HB3 . . 3.620 3.557 3.553 3.569 . 0 0 "[ . 1 . 2]" 1
31 1 37 ARG H 1 37 ARG HG2 . . 3.360 2.044 1.932 2.575 . 0 0 "[ . 1 . 2]" 1
32 1 36 MET HB2 1 37 ARG H . . 3.410 2.698 2.644 2.761 . 0 0 "[ . 1 . 2]" 1
33 1 28 SER HB2 1 30 GLN H . . 4.430 3.425 2.604 4.238 . 0 0 "[ . 1 . 2]" 1
34 1 30 GLN H 1 30 GLN HB3 . . 3.830 3.354 2.835 3.553 . 0 0 "[ . 1 . 2]" 1
35 1 66 ALA H 1 67 LEU H . . 3.650 2.696 2.659 2.740 . 0 0 "[ . 1 . 2]" 1
36 1 65 TYR HB3 1 66 ALA H . . 3.650 2.035 1.949 2.152 . 0 0 "[ . 1 . 2]" 1
37 1 65 TYR HB2 1 66 ALA H . . 3.750 3.587 3.523 3.672 . 0 0 "[ . 1 . 2]" 1
38 1 43 CYS H 1 44 TYR H . . 3.390 2.126 1.982 2.218 . 0 0 "[ . 1 . 2]" 1
39 1 44 TYR H 1 56 GLU H . . 4.000 2.791 2.538 3.001 . 0 0 "[ . 1 . 2]" 1
40 1 44 TYR H 1 56 GLU HB2 . . 4.220 3.073 2.555 3.693 . 0 0 "[ . 1 . 2]" 1
41 1 22 GLY H 1 23 LEU H . . 3.780 2.188 1.855 2.665 . 0 0 "[ . 1 . 2]" 1
42 1 23 LEU H 1 85 ILE MG . . 4.280 3.126 2.227 3.820 . 0 0 "[ . 1 . 2]" 1
43 1 23 LEU H 1 51 GLY HA3 . . 3.760 2.364 1.985 3.362 . 0 0 "[ . 1 . 2]" 1
44 1 23 LEU H 1 23 LEU HG . . 3.410 3.208 2.859 3.759 0.349 20 0 "[ . 1 . 2]" 1
45 1 23 LEU H 1 23 LEU HB3 . . 3.780 3.503 3.461 3.547 . 0 0 "[ . 1 . 2]" 1
46 1 31 ASP H 1 32 LEU H . . 4.000 2.799 2.696 2.876 . 0 0 "[ . 1 . 2]" 1
47 1 32 LEU H 1 32 LEU MD2 . . 4.050 3.876 3.721 4.028 . 0 0 "[ . 1 . 2]" 1
48 1 32 LEU H 1 32 LEU MD1 . . 4.290 4.168 4.135 4.215 . 0 0 "[ . 1 . 2]" 1
49 1 90 GLU HA 1 91 ARG H . . 3.320 2.386 2.202 2.741 . 0 0 "[ . 1 . 2]" 1
50 1 29 TRP HA 1 32 LEU H . . 3.710 3.478 3.334 3.597 . 0 0 "[ . 1 . 2]" 1
51 1 32 LEU H 1 32 LEU HB3 . . 3.580 2.300 2.203 2.401 . 0 0 "[ . 1 . 2]" 1
52 1 91 ARG H 1 91 ARG HB2 . . 3.900 3.014 2.182 4.008 0.108 5 0 "[ . 1 . 2]" 1
53 1 91 ARG H 1 91 ARG HB3 . . 4.090 3.192 2.525 3.847 . 0 0 "[ . 1 . 2]" 1
54 1 32 LEU H 1 32 LEU HB2 . . 3.750 2.580 2.469 2.691 . 0 0 "[ . 1 . 2]" 1
55 1 56 GLU H 1 56 GLU HB2 . . 3.610 2.493 2.193 2.705 . 0 0 "[ . 1 . 2]" 1
56 1 55 VAL HA 1 56 GLU H . . 3.330 2.256 2.185 2.392 . 0 0 "[ . 1 . 2]" 1
57 1 56 GLU H 1 56 GLU HB3 . . 3.830 3.565 3.145 3.781 . 0 0 "[ . 1 . 2]" 1
58 1 55 VAL MG1 1 56 GLU H . . 3.840 3.213 2.900 3.428 . 0 0 "[ . 1 . 2]" 1
59 1 58 LEU H 1 59 ARG H . . 3.930 2.368 2.022 2.612 . 0 0 "[ . 1 . 2]" 1
60 1 58 LEU H 1 58 LEU QD . . 4.370 2.389 1.861 3.388 . 0 0 "[ . 1 . 2]" 1
61 1 38 GLU H 1 38 GLU HB3 . . 3.460 3.475 3.459 3.483 0.023 6 0 "[ . 1 . 2]" 1
62 1 37 ARG HG3 1 38 GLU H . . 4.260 4.582 4.365 4.672 0.412 15 0 "[ . 1 . 2]" 1
63 1 47 VAL H 1 47 VAL QG . . 3.730 2.260 1.882 3.078 . 0 0 "[ . 1 . 2]" 1
64 1 76 ARG HA 1 77 SER H . . 3.430 2.228 2.225 2.231 . 0 0 "[ . 1 . 2]" 1
65 1 76 ARG HG3 1 77 SER H . . 4.410 3.331 3.017 3.602 . 0 0 "[ . 1 . 2]" 1
66 1 57 TYR H 1 57 TYR QD . . 4.060 3.337 2.911 3.772 . 0 0 "[ . 1 . 2]" 1
67 1 56 GLU HA 1 57 TYR H . . 3.390 2.314 2.202 2.537 . 0 0 "[ . 1 . 2]" 1
68 1 44 TYR HB3 1 56 GLU H . . 4.120 2.363 1.938 2.839 . 0 0 "[ . 1 . 2]" 1
69 1 65 TYR H 1 66 ALA H . . 3.830 3.091 3.044 3.137 . 0 0 "[ . 1 . 2]" 1
70 1 65 TYR H 1 65 TYR HB3 . . 3.280 2.317 2.292 2.349 . 0 0 "[ . 1 . 2]" 1
71 1 65 TYR H 1 65 TYR HB2 . . 3.380 2.349 2.315 2.382 . 0 0 "[ . 1 . 2]" 1
72 1 64 GLU HB2 1 65 TYR H . . 3.790 2.641 2.576 2.764 . 0 0 "[ . 1 . 2]" 1
73 1 64 GLU HB3 1 65 TYR H . . 3.980 3.725 3.630 3.822 . 0 0 "[ . 1 . 2]" 1
74 1 33 LYS H 1 34 ASP H . . 3.930 2.948 2.849 3.064 . 0 0 "[ . 1 . 2]" 1
75 1 30 GLN HA 1 33 LYS H . . 4.300 3.595 3.460 3.738 . 0 0 "[ . 1 . 2]" 1
76 1 32 LEU HB3 1 33 LYS H . . 3.450 2.610 2.459 2.714 . 0 0 "[ . 1 . 2]" 1
77 1 32 LEU H 1 33 LYS H . . 3.660 2.861 2.748 2.971 . 0 0 "[ . 1 . 2]" 1
78 1 29 TRP H 1 30 GLN H . . 4.280 2.350 2.128 2.681 . 0 0 "[ . 1 . 2]" 1
79 1 29 TRP H 1 47 VAL QG . . 4.330 2.512 1.959 3.300 . 0 0 "[ . 1 . 2]" 1
80 1 29 TRP H 1 29 TRP QB . . 3.670 2.664 2.528 2.754 . 0 0 "[ . 1 . 2]" 1
81 1 62 ASP QB 1 63 MET H . . 4.210 2.484 2.282 3.146 . 0 0 "[ . 1 . 2]" 1
82 1 63 MET H 1 63 MET HB3 . . 3.430 2.679 2.521 2.810 . 0 0 "[ . 1 . 2]" 1
83 1 63 MET H 1 63 MET ME . . 3.780 3.839 3.801 3.906 0.126 17 0 "[ . 1 . 2]" 1
84 1 63 MET H 1 63 MET HB2 . . 3.790 2.218 2.112 2.348 . 0 0 "[ . 1 . 2]" 1
85 1 21 SER H 1 87 VAL HA . . 4.800 4.629 4.458 4.808 0.008 13 0 "[ . 1 . 2]" 1
86 1 21 SER H 1 86 ARG H . . 3.900 2.755 2.463 2.996 . 0 0 "[ . 1 . 2]" 1
87 1 20 VAL HA 1 21 SER H . . 3.090 2.241 2.200 2.295 . 0 0 "[ . 1 . 2]" 1
88 1 84 TYR H 1 84 TYR QD . . 3.950 3.551 3.182 3.721 . 0 0 "[ . 1 . 2]" 1
89 1 83 SER HA 1 84 TYR H . . 3.250 2.481 2.347 2.636 . 0 0 "[ . 1 . 2]" 1
90 1 86 ARG HA 1 87 VAL H . . 3.290 2.395 2.267 2.467 . 0 0 "[ . 1 . 2]" 1
91 1 71 ASP HA 1 87 VAL H . . 3.950 2.447 2.297 2.514 . 0 0 "[ . 1 . 2]" 1
92 1 87 VAL H 1 87 VAL HB . . 3.670 2.815 2.717 2.881 . 0 0 "[ . 1 . 2]" 1
93 1 72 ASP H 1 87 VAL H . . 3.380 2.249 2.090 2.465 . 0 0 "[ . 1 . 2]" 1
94 1 54 MET H 1 55 VAL MG2 . . 3.680 3.721 3.690 3.766 0.086 20 0 "[ . 1 . 2]" 1
95 1 89 PRO HB2 1 90 GLU H . . 3.530 2.446 2.052 2.741 . 0 0 "[ . 1 . 2]" 1
96 1 77 SER H 1 81 GLU H . . 4.550 4.264 3.365 4.495 . 0 0 "[ . 1 . 2]" 1
97 1 80 GLY H 1 81 GLU H . . 3.840 2.948 2.668 3.224 . 0 0 "[ . 1 . 2]" 1
98 1 77 SER HG 1 81 GLU H . . 4.740 2.558 1.929 3.068 . 0 0 "[ . 1 . 2]" 1
99 1 79 GLU HB2 1 81 GLU H . . 3.930 3.356 2.534 3.660 . 0 0 "[ . 1 . 2]" 1
100 1 81 GLU H 1 81 GLU HG3 . . 4.230 2.709 2.275 4.309 0.079 17 0 "[ . 1 . 2]" 1
101 1 46 ASP H 1 54 MET H . . 3.190 3.020 2.823 3.128 . 0 0 "[ . 1 . 2]" 1
102 1 12 ARG H 1 13 ARG H . . 3.840 3.445 2.305 4.156 0.316 16 0 "[ . 1 . 2]" 1
103 1 35 HIS H 1 36 MET H . . 3.480 2.486 2.346 2.644 . 0 0 "[ . 1 . 2]" 1
104 1 35 HIS H 1 35 HIS HB3 . . 3.330 2.474 2.398 2.551 . 0 0 "[ . 1 . 2]" 1
105 1 35 HIS H 1 35 HIS HB2 . . 3.390 2.598 2.496 2.665 . 0 0 "[ . 1 . 2]" 1
106 1 13 ARG H 1 13 ARG HD2 . . 3.970 3.502 2.164 3.972 0.002 1 0 "[ . 1 . 2]" 1
107 1 13 ARG H 1 13 ARG QG . . 4.340 2.701 1.918 4.069 . 0 0 "[ . 1 . 2]" 1
108 1 32 LEU HA 1 35 HIS H . . 3.620 3.544 3.465 3.624 0.004 14 0 "[ . 1 . 2]" 1
109 1 13 ARG H 1 13 ARG HD3 . . 3.860 3.318 1.979 3.985 0.125 10 0 "[ . 1 . 2]" 1
110 1 85 ILE HA 1 86 ARG H . . 3.470 2.234 2.200 2.739 . 0 0 "[ . 1 . 2]" 1
111 1 86 ARG H 1 86 ARG HB2 . . 3.560 2.188 2.135 2.729 . 0 0 "[ . 1 . 2]" 1
112 1 85 ILE HB 1 86 ARG H . . 3.460 3.196 2.033 3.302 . 0 0 "[ . 1 . 2]" 1
113 1 18 VAL H 1 55 VAL H . . 4.130 2.699 2.476 2.988 . 0 0 "[ . 1 . 2]" 1
114 1 54 MET ME 1 55 VAL H . . 4.020 3.202 2.441 3.599 . 0 0 "[ . 1 . 2]" 1
115 1 48 GLN HB2 1 49 LYS H . . 3.680 3.566 2.307 4.029 0.349 14 0 "[ . 1 . 2]" 1
116 1 49 LYS H 1 49 LYS QB . . 3.560 2.303 2.036 2.515 . 0 0 "[ . 1 . 2]" 1
117 1 18 VAL H 1 54 MET ME . . 4.300 4.053 3.380 4.328 0.028 3 0 "[ . 1 . 2]" 1
118 1 20 VAL H 1 53 GLY H . . 4.390 2.927 2.607 3.357 . 0 0 "[ . 1 . 2]" 1
119 1 20 VAL H 1 54 MET HA . . 4.250 3.225 2.936 3.530 . 0 0 "[ . 1 . 2]" 1
120 1 19 LEU QD 1 20 VAL H . . 3.650 3.414 3.234 3.622 . 0 0 "[ . 1 . 2]" 1
121 1 17 ARG QB 1 18 VAL H . . 4.040 2.243 2.062 2.499 . 0 0 "[ . 1 . 2]" 1
122 1 14 SER H 1 14 SER HG . . 4.300 3.244 2.310 4.320 0.020 20 0 "[ . 1 . 2]" 1
123 1 13 ARG HB2 1 14 SER H . . 3.910 3.025 1.948 3.944 0.034 10 0 "[ . 1 . 2]" 1
124 1 13 ARG HA 1 14 SER H . . 3.450 2.978 2.333 3.548 0.098 10 0 "[ . 1 . 2]" 1
125 1 13 ARG QG 1 14 SER H . . 4.350 3.568 1.948 4.218 . 0 0 "[ . 1 . 2]" 1
126 1 75 PHE H 1 83 SER H . . 4.410 3.040 2.824 3.209 . 0 0 "[ . 1 . 2]" 1
127 1 64 GLU H 1 66 ALA H . . 5.500 4.803 4.591 4.996 . 0 0 "[ . 1 . 2]" 1
128 1 64 GLU H 1 65 TYR H . . 3.830 2.772 2.637 2.889 . 0 0 "[ . 1 . 2]" 1
129 1 63 MET H 1 64 GLU H . . 3.800 3.013 2.839 3.110 . 0 0 "[ . 1 . 2]" 1
130 1 63 MET HB3 1 64 GLU H . . 3.390 2.073 1.935 2.286 . 0 0 "[ . 1 . 2]" 1
131 1 64 GLU H 1 64 GLU HG2 . . 3.580 2.829 2.660 3.032 . 0 0 "[ . 1 . 2]" 1
132 1 64 GLU H 1 64 GLU HB2 . . 3.360 2.524 2.436 2.585 . 0 0 "[ . 1 . 2]" 1
133 1 63 MET HB2 1 64 GLU H . . 3.530 3.481 3.307 3.562 0.032 3 0 "[ . 1 . 2]" 1
134 1 79 GLU H 1 81 GLU HB2 . . 4.340 4.346 4.195 5.233 0.893 17 1 "[ . 1 . + 2]" 1
135 1 78 HIS H 1 79 GLU H . . 4.550 2.542 2.395 2.676 . 0 0 "[ . 1 . 2]" 1
136 1 61 GLU H 1 61 GLU HG3 . . 3.950 3.172 2.480 4.058 0.108 5 0 "[ . 1 . 2]" 1
137 1 60 LYS HD3 1 61 GLU H . . 4.260 4.275 4.258 4.303 0.043 3 0 "[ . 1 . 2]" 1
138 1 60 LYS HB3 1 61 GLU H . . 3.840 2.446 2.362 2.571 . 0 0 "[ . 1 . 2]" 1
139 1 61 GLU H 1 62 ASP H . . 3.970 2.977 2.845 3.088 . 0 0 "[ . 1 . 2]" 1
140 1 59 ARG HB3 1 61 GLU H . . 3.380 3.326 3.143 3.427 0.047 3 0 "[ . 1 . 2]" 1
141 1 60 LYS HG2 1 61 GLU H . . 3.880 3.643 3.411 3.801 . 0 0 "[ . 1 . 2]" 1
142 1 60 LYS HB2 1 61 GLU H . . 4.280 3.817 3.710 3.948 . 0 0 "[ . 1 . 2]" 1
143 1 51 GLY H 1 52 MET H . . 3.740 1.894 1.830 2.104 . 0 0 "[ . 1 . 2]" 1
144 1 52 MET H 1 52 MET HG3 . . 3.760 3.542 3.025 3.793 0.033 8 0 "[ . 1 . 2]" 1
145 1 52 MET H 1 52 MET HG2 . . 3.860 3.822 2.970 4.203 0.343 13 0 "[ . 1 . 2]" 1
146 1 52 MET H 1 52 MET HB2 . . 3.670 2.314 2.132 2.532 . 0 0 "[ . 1 . 2]" 1
147 1 52 MET H 1 52 MET HB3 . . 3.590 3.515 3.411 3.693 0.103 12 0 "[ . 1 . 2]" 1
148 1 69 LYS H 1 70 LEU H . . 3.560 3.206 3.181 3.245 . 0 0 "[ . 1 . 2]" 1
149 1 68 ARG QG 1 69 LYS H . . 4.440 3.686 3.646 3.802 . 0 0 "[ . 1 . 2]" 1
150 1 70 LEU H 1 71 ASP H . . 3.540 2.819 2.749 2.875 . 0 0 "[ . 1 . 2]" 1
151 1 70 LEU H 1 70 LEU HG . . 3.440 1.936 1.924 1.978 . 0 0 "[ . 1 . 2]" 1
152 1 69 LYS HB3 1 70 LEU H . . 3.940 2.966 2.868 3.050 . 0 0 "[ . 1 . 2]" 1
153 1 70 LEU H 1 87 VAL QG . . 4.040 3.798 3.707 3.910 . 0 0 "[ . 1 . 2]" 1
154 1 69 LYS HB2 1 70 LEU H . . 3.790 2.609 2.570 2.689 . 0 0 "[ . 1 . 2]" 1
155 1 39 ALA H 1 57 TYR HH . . 4.320 3.271 3.106 3.505 . 0 0 "[ . 1 . 2]" 1
156 1 38 GLU HB2 1 39 ALA H . . 4.330 3.091 3.079 3.122 . 0 0 "[ . 1 . 2]" 1
157 1 58 LEU QB 1 59 ARG H . . 3.770 3.352 2.746 3.754 . 0 0 "[ . 1 . 2]" 1
158 1 59 ARG H 1 59 ARG QG . . 3.640 2.983 2.255 3.493 . 0 0 "[ . 1 . 2]" 1
159 1 68 ARG H 1 70 LEU H . . 4.500 4.322 4.253 4.400 . 0 0 "[ . 1 . 2]" 1
160 1 68 ARG H 1 69 LYS H . . 3.570 2.817 2.799 2.845 . 0 0 "[ . 1 . 2]" 1
161 1 67 LEU H 1 68 ARG H . . 3.770 2.957 2.904 3.002 . 0 0 "[ . 1 . 2]" 1
162 1 67 LEU HB3 1 68 ARG H . . 3.720 3.133 3.057 3.214 . 0 0 "[ . 1 . 2]" 1
163 1 68 ARG H 1 68 ARG QB . . 3.270 2.499 2.436 2.525 . 0 0 "[ . 1 . 2]" 1
164 1 68 ARG H 1 68 ARG QG . . 3.770 1.987 1.940 2.265 . 0 0 "[ . 1 . 2]" 1
165 1 81 GLU HG3 1 82 THR H . . 4.480 4.425 2.252 5.008 0.528 9 1 "[ . +1 . 2]" 1
166 1 81 GLU HA 1 82 THR H . . 3.140 2.321 2.202 2.516 . 0 0 "[ . 1 . 2]" 1
167 1 67 LEU H 1 67 LEU HG . . 3.280 2.606 2.525 2.647 . 0 0 "[ . 1 . 2]" 1
168 1 67 LEU H 1 67 LEU HB2 . . 3.500 2.226 2.206 2.267 . 0 0 "[ . 1 . 2]" 1
169 1 18 VAL MG1 1 67 LEU H . . 3.970 3.238 3.136 3.338 . 0 0 "[ . 1 . 2]" 1
170 1 36 MET H 1 37 ARG H . . 4.090 2.769 2.624 2.902 . 0 0 "[ . 1 . 2]" 1
171 1 35 HIS HB3 1 36 MET H . . 3.860 2.409 2.203 2.633 . 0 0 "[ . 1 . 2]" 1
172 1 26 SER H 1 27 GLY H . . 4.010 2.040 1.897 2.179 . 0 0 "[ . 1 . 2]" 1
173 1 79 GLU H 1 80 GLY H . . 3.310 2.392 2.245 2.565 . 0 0 "[ . 1 . 2]" 1
174 1 20 VAL MG1 1 53 GLY H . . 4.280 3.485 3.108 3.905 . 0 0 "[ . 1 . 2]" 1
175 1 21 SER HA 1 53 GLY H . . 3.570 3.549 3.269 3.603 0.033 7 0 "[ . 1 . 2]" 1
176 1 21 SER QB 1 22 GLY H . . 3.480 2.990 2.678 3.377 . 0 0 "[ . 1 . 2]" 1
177 1 49 LYS HA 1 51 GLY H . . 3.860 3.787 3.245 3.891 0.031 17 0 "[ . 1 . 2]" 1
178 1 25 PRO HD2 1 26 SER H . . 3.780 2.374 2.298 2.459 . 0 0 "[ . 1 . 2]" 1
179 1 26 SER H 1 26 SER HB3 . . 3.860 3.502 2.337 3.784 . 0 0 "[ . 1 . 2]" 1
180 1 24 PRO HB2 1 26 SER H . . 3.830 2.199 2.139 2.289 . 0 0 "[ . 1 . 2]" 1
181 1 72 ASP H 1 73 THR H . . 4.080 3.503 3.364 3.680 . 0 0 "[ . 1 . 2]" 1
182 1 73 THR H 1 85 ILE H . . 4.580 2.768 2.338 2.959 . 0 0 "[ . 1 . 2]" 1
183 1 73 THR H 1 73 THR HG1 . . 4.260 2.914 2.009 3.546 . 0 0 "[ . 1 . 2]" 1
184 1 37 ARG HA 1 40 GLY H . . 4.070 3.527 3.357 3.633 . 0 0 "[ . 1 . 2]" 1
185 1 39 ALA MB 1 40 GLY H . . 4.190 1.955 1.893 2.090 . 0 0 "[ . 1 . 2]" 1
186 1 11 THR HB 1 12 ARG H . . 4.920 4.035 2.132 4.619 . 0 0 "[ . 1 . 2]" 1
187 1 11 THR MG 1 12 ARG H . . 5.130 3.437 1.841 4.204 . 0 0 "[ . 1 . 2]" 1
188 1 12 ARG H 1 12 ARG QG . . 4.510 3.260 2.119 4.132 . 0 0 "[ . 1 . 2]" 1
189 1 12 ARG H 1 12 ARG HB2 . . 4.200 2.901 2.313 3.703 . 0 0 "[ . 1 . 2]" 1
190 1 12 ARG QG 1 13 ARG H . . 4.480 4.097 2.077 4.602 0.122 10 0 "[ . 1 . 2]" 1
191 1 32 LEU MD2 1 35 HIS H . . 5.500 4.131 3.973 4.347 . 0 0 "[ . 1 . 2]" 1
192 1 35 HIS H 1 37 ARG H . . 4.580 3.705 3.616 3.965 . 0 0 "[ . 1 . 2]" 1
193 1 13 ARG H 1 14 SER H . . 4.480 3.652 2.054 4.460 . 0 0 "[ . 1 . 2]" 1
194 1 14 SER H 1 15 ASP H . . 5.400 4.087 1.939 4.672 . 0 0 "[ . 1 . 2]" 1
195 1 14 SER QB 1 16 PHE H . . 3.990 3.149 2.292 3.577 . 0 0 "[ . 1 . 2]" 1
196 1 17 ARG H 1 18 VAL MG2 . . 5.500 5.484 5.381 5.577 0.077 20 0 "[ . 1 . 2]" 1
197 1 17 ARG H 1 17 ARG HG3 . . 4.920 2.829 1.942 3.474 . 0 0 "[ . 1 . 2]" 1
198 1 16 PHE HB3 1 17 ARG H . . 4.570 3.910 3.766 4.411 . 0 0 "[ . 1 . 2]" 1
199 1 15 ASP HA 1 17 ARG H . . 5.440 5.289 4.325 5.450 0.010 9 0 "[ . 1 . 2]" 1
200 1 17 ARG H 1 18 VAL H . . 5.200 4.434 4.402 4.558 . 0 0 "[ . 1 . 2]" 1
201 1 16 PHE H 1 17 ARG H . . 4.450 3.998 3.438 4.443 . 0 0 "[ . 1 . 2]" 1
202 1 18 VAL H 1 55 VAL MG2 . . 4.540 2.990 2.807 3.144 . 0 0 "[ . 1 . 2]" 1
203 1 17 ARG QD 1 18 VAL H . . 5.500 3.599 2.739 4.658 . 0 0 "[ . 1 . 2]" 1
204 1 42 VAL HB 1 43 CYS H . . 4.850 4.230 4.059 4.384 . 0 0 "[ . 1 . 2]" 1
205 1 42 VAL H 1 43 CYS H . . 4.680 4.434 4.331 4.566 . 0 0 "[ . 1 . 2]" 1
206 1 19 LEU H 1 20 VAL H . . 5.190 4.499 4.386 4.574 . 0 0 "[ . 1 . 2]" 1
207 1 20 VAL H 1 54 MET H . . 5.500 4.616 4.331 4.866 . 0 0 "[ . 1 . 2]" 1
208 1 21 SER H 1 86 ARG HB3 . . 4.490 4.426 4.280 4.529 0.039 20 0 "[ . 1 . 2]" 1
209 1 21 SER H 1 86 ARG HB2 . . 4.450 3.822 3.435 4.426 . 0 0 "[ . 1 . 2]" 1
210 1 21 SER H 1 85 ILE HA . . 5.170 3.894 3.637 4.498 . 0 0 "[ . 1 . 2]" 1
211 1 20 VAL H 1 21 SER H . . 5.310 4.480 4.374 4.554 . 0 0 "[ . 1 . 2]" 1
212 1 22 GLY H 1 85 ILE MG . . 5.500 3.973 3.395 4.646 . 0 0 "[ . 1 . 2]" 1
213 1 22 GLY H 1 23 LEU HB2 . . 5.500 4.069 3.688 4.356 . 0 0 "[ . 1 . 2]" 1
214 1 24 PRO HG2 1 26 SER H . . 4.830 3.589 3.465 3.773 . 0 0 "[ . 1 . 2]" 1
215 1 23 LEU HB3 1 27 GLY H . . 5.500 4.498 4.366 4.652 . 0 0 "[ . 1 . 2]" 1
216 1 24 PRO HG3 1 27 GLY H . . 4.380 4.030 3.688 4.281 . 0 0 "[ . 1 . 2]" 1
217 1 24 PRO QD 1 27 GLY H . . 4.620 3.307 3.217 3.428 . 0 0 "[ . 1 . 2]" 1
218 1 25 PRO HD2 1 27 GLY H . . 4.710 3.878 3.672 4.025 . 0 0 "[ . 1 . 2]" 1
219 1 27 GLY H 1 28 SER H . . 4.840 4.651 4.556 4.675 . 0 0 "[ . 1 . 2]" 1
220 1 24 PRO QD 1 28 SER H . . 5.500 4.493 4.015 4.924 . 0 0 "[ . 1 . 2]" 1
221 1 28 SER H 1 31 ASP H . . 4.900 4.431 4.139 4.666 . 0 0 "[ . 1 . 2]" 1
222 1 29 TRP H 1 47 VAL H . . 5.500 5.329 4.618 5.516 0.016 3 0 "[ . 1 . 2]" 1
223 1 28 SER HA 1 30 GLN H . . 5.500 4.477 4.182 4.652 . 0 0 "[ . 1 . 2]" 1
224 1 29 TRP HE3 1 30 GLN H . . 4.510 3.181 2.979 3.434 . 0 0 "[ . 1 . 2]" 1
225 1 29 TRP H 1 31 ASP H . . 5.090 4.626 4.221 4.902 . 0 0 "[ . 1 . 2]" 1
226 1 30 GLN HB2 1 31 ASP H . . 4.960 2.585 2.096 3.378 . 0 0 "[ . 1 . 2]" 1
227 1 32 LEU H 1 75 PHE HZ . . 5.000 2.541 2.000 3.081 . 0 0 "[ . 1 . 2]" 1
228 1 28 SER H 1 32 LEU H . . 5.050 3.865 3.602 4.180 . 0 0 "[ . 1 . 2]" 1
229 1 32 LEU MD2 1 33 LYS H . . 4.580 2.481 2.245 2.645 . 0 0 "[ . 1 . 2]" 1
230 1 32 LEU MD1 1 33 LYS H . . 4.410 4.419 4.351 4.457 0.047 20 0 "[ . 1 . 2]" 1
231 1 34 ASP H 1 35 HIS HB3 . . 5.180 5.193 5.085 5.225 0.045 17 0 "[ . 1 . 2]" 1
232 1 34 ASP H 1 35 HIS H . . 4.770 2.872 2.795 2.942 . 0 0 "[ . 1 . 2]" 1
233 1 36 MET H 1 42 VAL MG2 . . 4.590 4.622 4.570 4.662 0.072 19 0 "[ . 1 . 2]" 1
234 1 32 LEU MD2 1 36 MET H . . 4.800 3.007 2.874 3.189 . 0 0 "[ . 1 . 2]" 1
235 1 33 LYS QG 1 36 MET H . . 5.470 4.584 4.304 4.786 . 0 0 "[ . 1 . 2]" 1
236 1 36 MET H 1 37 ARG HG2 . . 4.910 4.418 4.217 4.897 . 0 0 "[ . 1 . 2]" 1
237 1 36 MET HG2 1 37 ARG H . . 5.090 4.504 4.439 4.570 . 0 0 "[ . 1 . 2]" 1
238 1 37 ARG H 1 37 ARG QD . . 4.460 3.859 3.806 3.958 . 0 0 "[ . 1 . 2]" 1
239 1 38 GLU H 1 70 LEU MD1 . . 4.980 4.108 4.062 4.163 . 0 0 "[ . 1 . 2]" 1
240 1 38 GLU H 1 39 ALA MB . . 5.310 4.567 4.539 4.604 . 0 0 "[ . 1 . 2]" 1
241 1 36 MET H 1 38 GLU H . . 5.180 4.206 4.144 4.248 . 0 0 "[ . 1 . 2]" 1
242 1 39 ALA H 1 42 VAL MG2 . . 5.500 4.604 4.402 4.812 . 0 0 "[ . 1 . 2]" 1
243 1 39 ALA H 1 70 LEU MD2 . . 5.050 4.153 4.107 4.194 . 0 0 "[ . 1 . 2]" 1
244 1 38 GLU QG 1 39 ALA H . . 5.250 4.598 4.583 4.616 . 0 0 "[ . 1 . 2]" 1
245 1 39 ALA H 1 57 TYR QE . . 4.600 3.366 3.195 3.598 . 0 0 "[ . 1 . 2]" 1
246 1 37 ARG HB3 1 40 GLY H . . 4.990 4.915 4.613 5.008 0.018 11 0 "[ . 1 . 2]" 1
247 1 40 GLY H 1 41 ASP H . . 5.060 3.651 3.328 3.938 . 0 0 "[ . 1 . 2]" 1
248 1 41 ASP H 1 42 VAL H . . 4.730 4.467 4.346 4.574 . 0 0 "[ . 1 . 2]" 1
249 1 44 TYR H 1 56 GLU HB3 . . 4.550 4.183 3.434 4.567 0.017 3 0 "[ . 1 . 2]" 1
250 1 42 VAL HB 1 44 TYR H . . 4.650 4.504 4.187 4.674 0.024 19 0 "[ . 1 . 2]" 1
251 1 44 TYR H 1 55 VAL HA . . 4.560 4.450 4.261 4.548 . 0 0 "[ . 1 . 2]" 1
252 1 44 TYR H 1 44 TYR QD . . 4.960 4.263 4.183 4.373 . 0 0 "[ . 1 . 2]" 1
253 1 45 ALA H 1 55 VAL MG1 . . 4.880 4.311 4.098 4.557 . 0 0 "[ . 1 . 2]" 1
254 1 44 TYR HB3 1 45 ALA H . . 5.210 4.081 3.938 4.168 . 0 0 "[ . 1 . 2]" 1
255 1 44 TYR HB2 1 45 ALA H . . 4.840 4.315 4.039 4.471 . 0 0 "[ . 1 . 2]" 1
256 1 45 ALA H 1 46 ASP H . . 4.910 4.003 3.920 4.203 . 0 0 "[ . 1 . 2]" 1
257 1 46 ASP QB 1 47 VAL H . . 4.270 3.117 2.412 3.714 . 0 0 "[ . 1 . 2]" 1
258 1 29 TRP HA 1 47 VAL H . . 5.500 5.101 4.565 5.350 . 0 0 "[ . 1 . 2]" 1
259 1 47 VAL H 1 48 GLN H . . 4.990 4.364 4.317 4.557 . 0 0 "[ . 1 . 2]" 1
260 1 48 GLN H 1 53 GLY HA3 . . 4.630 4.326 3.912 4.617 . 0 0 "[ . 1 . 2]" 1
261 1 48 GLN H 1 49 LYS H . . 5.180 4.507 4.468 4.552 . 0 0 "[ . 1 . 2]" 1
262 1 49 LYS H 1 50 ASP H . . 4.850 4.581 4.512 4.645 . 0 0 "[ . 1 . 2]" 1
263 1 23 LEU HB2 1 51 GLY H . . 5.500 4.234 4.135 4.368 . 0 0 "[ . 1 . 2]" 1
264 1 49 LYS QB 1 51 GLY H . . 5.500 4.711 4.517 4.811 . 0 0 "[ . 1 . 2]" 1
265 1 51 GLY H 1 52 MET HB3 . . 5.500 4.983 4.886 5.170 . 0 0 "[ . 1 . 2]" 1
266 1 50 ASP H 1 51 GLY H . . 3.920 3.545 3.034 3.656 . 0 0 "[ . 1 . 2]" 1
267 1 49 LYS HA 1 52 MET H . . 4.910 4.536 4.323 4.922 0.012 7 0 "[ . 1 . 2]" 1
268 1 48 GLN H 1 52 MET H . . 5.350 3.479 2.994 4.286 . 0 0 "[ . 1 . 2]" 1
269 1 50 ASP H 1 52 MET H . . 5.500 5.122 4.665 5.368 . 0 0 "[ . 1 . 2]" 1
270 1 52 MET HB3 1 53 GLY H . . 4.330 2.663 2.305 3.125 . 0 0 "[ . 1 . 2]" 1
271 1 52 MET H 1 53 GLY H . . 5.500 4.542 4.456 4.658 . 0 0 "[ . 1 . 2]" 1
272 1 47 VAL HA 1 54 MET H . . 4.480 3.429 3.206 3.727 . 0 0 "[ . 1 . 2]" 1
273 1 57 TYR HB2 1 58 LEU H . . 4.330 4.012 3.624 4.274 . 0 0 "[ . 1 . 2]" 1
274 1 59 ARG H 1 62 ASP H . . 4.960 4.524 4.304 4.899 . 0 0 "[ . 1 . 2]" 1
275 1 57 TYR QD 1 59 ARG H . . 4.940 4.173 3.914 4.479 . 0 0 "[ . 1 . 2]" 1
276 1 16 PHE QE 1 60 LYS H . . 4.480 3.852 3.075 4.467 . 0 0 "[ . 1 . 2]" 1
277 1 16 PHE QD 1 60 LYS H . . 5.210 3.790 3.128 4.443 . 0 0 "[ . 1 . 2]" 1
278 1 59 ARG HA 1 61 GLU H . . 5.020 4.455 4.252 5.027 0.007 3 0 "[ . 1 . 2]" 1
279 1 59 ARG HB3 1 62 ASP H . . 4.530 2.804 2.295 3.579 . 0 0 "[ . 1 . 2]" 1
280 1 57 TYR HB3 1 63 MET H . . 5.500 3.630 3.263 3.979 . 0 0 "[ . 1 . 2]" 1
281 1 63 MET H 1 65 TYR HB2 . . 5.500 5.393 5.087 5.522 0.022 8 0 "[ . 1 . 2]" 1
282 1 65 TYR H 1 67 LEU MD1 . . 5.500 4.735 4.494 4.999 . 0 0 "[ . 1 . 2]" 1
283 1 64 GLU HG3 1 65 TYR H . . 4.830 4.293 4.185 4.466 . 0 0 "[ . 1 . 2]" 1
284 1 63 MET H 1 65 TYR H . . 4.690 4.086 3.879 4.177 . 0 0 "[ . 1 . 2]" 1
285 1 62 ASP HA 1 66 ALA H . . 5.120 3.754 3.543 4.297 . 0 0 "[ . 1 . 2]" 1
286 1 66 ALA H 1 67 LEU HG . . 4.830 4.863 4.804 4.899 0.069 8 0 "[ . 1 . 2]" 1
287 1 66 ALA H 1 70 LEU MD1 . . 5.500 4.453 4.360 4.626 . 0 0 "[ . 1 . 2]" 1
288 1 18 VAL MG1 1 66 ALA H . . 5.160 4.531 4.386 4.670 . 0 0 "[ . 1 . 2]" 1
289 1 57 TYR QE 1 66 ALA H . . 5.500 4.386 4.143 4.777 . 0 0 "[ . 1 . 2]" 1
290 1 67 LEU H 1 69 LYS H . . 5.390 4.680 4.629 4.731 . 0 0 "[ . 1 . 2]" 1
291 1 67 LEU MD2 1 68 ARG H . . 4.860 4.609 4.566 4.674 . 0 0 "[ . 1 . 2]" 1
292 1 68 ARG QD 1 69 LYS H . . 5.180 4.699 4.543 4.870 . 0 0 "[ . 1 . 2]" 1
293 1 69 LYS H 1 71 ASP H . . 4.640 4.659 4.325 4.718 0.078 14 0 "[ . 1 . 2]" 1
294 1 72 ASP H 1 87 VAL QG . . 5.500 2.210 1.953 2.943 . 0 0 "[ . 1 . 2]" 1
295 1 73 THR H 1 85 ILE MG . . 5.500 4.935 4.750 5.139 . 0 0 "[ . 1 . 2]" 1
296 1 72 ASP HB2 1 73 THR H . . 5.500 4.598 4.337 4.689 . 0 0 "[ . 1 . 2]" 1
297 1 73 THR H 1 84 TYR HA . . 5.080 3.950 3.470 4.071 . 0 0 "[ . 1 . 2]" 1
298 1 74 LYS H 1 74 LYS HG2 . . 5.050 4.311 4.136 4.423 . 0 0 "[ . 1 . 2]" 1
299 1 74 LYS H 1 74 LYS QE . . 5.500 5.304 4.927 5.506 0.006 6 0 "[ . 1 . 2]" 1
300 1 74 LYS H 1 84 TYR QD . . 5.320 4.381 3.597 4.698 . 0 0 "[ . 1 . 2]" 1
301 1 75 PHE H 1 85 ILE H . . 5.070 3.494 3.228 3.707 . 0 0 "[ . 1 . 2]" 1
302 1 74 LYS H 1 75 PHE H . . 4.930 4.190 4.102 4.288 . 0 0 "[ . 1 . 2]" 1
303 1 75 PHE HB2 1 76 ARG H . . 5.070 4.290 4.080 4.432 . 0 0 "[ . 1 . 2]" 1
304 1 60 LYS H 1 62 ASP H . . 5.500 4.255 3.724 4.426 . 0 0 "[ . 1 . 2]" 1
305 1 76 ARG HB3 1 77 SER H . . 4.840 4.313 4.184 4.413 . 0 0 "[ . 1 . 2]" 1
306 1 29 TRP H 1 30 GLN HB2 . . 4.270 4.262 4.048 4.371 0.101 14 0 "[ . 1 . 2]" 1
307 1 77 SER H 1 81 GLU HB3 . . 5.100 4.502 3.688 4.962 . 0 0 "[ . 1 . 2]" 1
308 1 77 SER H 1 80 GLY HA2 . . 5.500 4.758 4.487 5.131 . 0 0 "[ . 1 . 2]" 1
309 1 77 SER H 1 77 SER HG . . 4.880 2.786 2.218 3.799 . 0 0 "[ . 1 . 2]" 1
310 1 76 ARG H 1 77 SER H . . 5.500 4.348 4.219 4.455 . 0 0 "[ . 1 . 2]" 1
311 1 77 SER H 1 78 HIS H . . 5.500 4.608 4.523 4.657 . 0 0 "[ . 1 . 2]" 1
312 1 79 GLU H 1 80 GLY HA2 . . 4.750 4.692 4.630 4.765 0.015 9 0 "[ . 1 . 2]" 1
313 1 26 SER HB2 1 79 GLU H . . 4.830 3.515 2.870 5.038 0.208 9 0 "[ . 1 . 2]" 1
314 1 77 SER HG 1 79 GLU H . . 4.700 2.510 1.955 3.310 . 0 0 "[ . 1 . 2]" 1
315 1 79 GLU HB3 1 80 GLY H . . 5.040 4.142 3.974 4.558 . 0 0 "[ . 1 . 2]" 1
316 1 79 GLU HB2 1 80 GLY H . . 5.210 3.784 3.580 4.011 . 0 0 "[ . 1 . 2]" 1
317 1 77 SER H 1 80 GLY H . . 5.500 4.077 3.795 4.471 . 0 0 "[ . 1 . 2]" 1
318 1 79 GLU HB3 1 81 GLU H . . 5.050 3.166 2.944 3.928 . 0 0 "[ . 1 . 2]" 1
319 1 77 SER HB3 1 81 GLU H . . 5.310 4.756 4.275 5.191 . 0 0 "[ . 1 . 2]" 1
320 1 81 GLU H 1 82 THR H . . 4.980 4.629 4.492 4.674 . 0 0 "[ . 1 . 2]" 1
321 1 75 PHE HB2 1 83 SER H . . 5.150 4.876 4.584 5.045 . 0 0 "[ . 1 . 2]" 1
322 1 24 PRO HG3 1 83 SER H . . 5.500 3.873 3.584 4.277 . 0 0 "[ . 1 . 2]" 1
323 1 74 LYS HG2 1 83 SER H . . 5.500 4.248 3.764 4.681 . 0 0 "[ . 1 . 2]" 1
324 1 76 ARG HA 1 83 SER H . . 4.810 3.909 3.658 4.180 . 0 0 "[ . 1 . 2]" 1
325 1 75 PHE QD 1 83 SER H . . 4.980 4.420 4.099 4.752 . 0 0 "[ . 1 . 2]" 1
326 1 84 TYR QB 1 85 ILE H . . 4.350 3.689 3.384 3.832 . 0 0 "[ . 1 . 2]" 1
327 1 22 GLY HA3 1 86 ARG H . . 4.950 4.008 3.838 4.637 . 0 0 "[ . 1 . 2]" 1
328 1 86 ARG H 1 87 VAL H . . 4.670 4.583 4.238 4.609 . 0 0 "[ . 1 . 2]" 1
329 1 87 VAL H 1 88 TYR HB3 . . 5.220 4.553 4.309 4.780 . 0 0 "[ . 1 . 2]" 1
330 1 86 ARG HB2 1 87 VAL H . . 4.790 4.201 4.081 4.402 . 0 0 "[ . 1 . 2]" 1
331 1 86 ARG HG3 1 87 VAL H . . 5.340 4.274 2.994 5.210 . 0 0 "[ . 1 . 2]" 1
332 1 87 VAL H 1 88 TYR QD . . 5.220 3.710 3.531 3.945 . 0 0 "[ . 1 . 2]" 1
333 1 71 ASP H 1 87 VAL H . . 5.390 4.180 4.012 4.288 . 0 0 "[ . 1 . 2]" 1
334 1 28 SER H 1 32 LEU HB2 . . 5.500 4.106 3.596 4.571 . 0 0 "[ . 1 . 2]" 1
335 1 90 GLU QG 1 91 ARG H . . 4.500 2.876 2.014 4.081 . 0 0 "[ . 1 . 2]" 1
336 1 13 ARG H 1 13 ARG HB3 . . 3.920 3.450 2.827 4.012 0.092 16 0 "[ . 1 . 2]" 1
337 1 13 ARG H 1 13 ARG HB2 . . 3.820 3.105 2.460 3.823 0.003 16 0 "[ . 1 . 2]" 1
338 1 12 ARG HA 1 13 ARG H . . 3.120 2.563 2.226 3.164 0.044 12 0 "[ . 1 . 2]" 1
339 1 17 ARG H 1 56 GLU HA . . 4.630 4.565 4.411 4.694 0.064 18 0 "[ . 1 . 2]" 1
340 1 73 THR H 1 74 LYS H . . 4.520 4.424 4.376 4.461 . 0 0 "[ . 1 . 2]" 1
341 1 32 LEU H 1 75 PHE QE . . 5.000 2.999 2.659 3.389 . 0 0 "[ . 1 . 2]" 1
342 1 18 VAL HB 1 88 TYR H . . 4.670 3.715 3.338 4.051 . 0 0 "[ . 1 . 2]" 1
343 1 27 GLY H 1 75 PHE QE . . 5.480 4.329 3.946 5.048 . 0 0 "[ . 1 . 2]" 1
344 1 37 ARG H 1 39 ALA H . . 5.500 4.721 4.672 4.741 . 0 0 "[ . 1 . 2]" 1
345 1 75 PHE HB2 1 85 ILE MD . . 3.510 2.502 2.192 2.732 . 0 0 "[ . 1 . 2]" 1
346 1 85 ILE HB 1 85 ILE MD . . 3.190 2.167 2.041 2.230 . 0 0 "[ . 1 . 2]" 1
347 1 20 VAL MG1 1 85 ILE MD . . 2.610 1.829 1.729 2.006 . 0 0 "[ . 1 . 2]" 1
348 1 53 GLY HA3 1 54 MET H . . 3.430 2.801 2.701 2.913 . 0 0 "[ . 1 . 2]" 1
349 1 32 LEU MD1 1 53 GLY HA3 . . 3.400 2.407 2.021 2.786 . 0 0 "[ . 1 . 2]" 1
350 1 8 GLY QA 1 9 PRO HD3 . . 2.970 2.147 1.917 2.650 . 0 0 "[ . 1 . 2]" 1
351 1 40 GLY HA2 1 41 ASP H . . 3.480 3.324 3.158 3.474 . 0 0 "[ . 1 . 2]" 1
352 1 68 ARG HA 1 68 ARG QD . . 3.790 2.216 1.979 3.657 . 0 0 "[ . 1 . 2]" 1
353 1 59 ARG HB3 1 59 ARG QD . . 3.310 2.402 2.171 2.841 . 0 0 "[ . 1 . 2]" 1
354 1 17 ARG QB 1 17 ARG QD . . 2.780 2.130 2.006 2.378 . 0 0 "[ . 1 . 2]" 1
355 1 68 ARG QB 1 68 ARG QD . . 2.640 2.315 2.122 2.571 . 0 0 "[ . 1 . 2]" 1
356 1 12 ARG HA 1 12 ARG QD . . 3.640 3.402 2.731 3.709 0.069 12 0 "[ . 1 . 2]" 1
357 1 76 ARG HB2 1 76 ARG QD . . 2.970 2.240 2.057 2.466 . 0 0 "[ . 1 . 2]" 1
358 1 76 ARG HB3 1 76 ARG QD . . 3.350 2.693 2.309 2.956 . 0 0 "[ . 1 . 2]" 1
359 1 76 ARG QD 1 82 THR MG . . 3.200 2.776 2.036 3.199 . 0 0 "[ . 1 . 2]" 1
360 1 58 LEU H 1 58 LEU QB . . 3.380 2.396 2.310 2.482 . 0 0 "[ . 1 . 2]" 1
361 1 58 LEU QB 1 59 ARG QG . . 3.200 2.972 2.668 3.242 0.042 17 0 "[ . 1 . 2]" 1
362 1 75 PHE H 1 75 PHE HB2 . . 3.800 2.634 2.550 2.734 . 0 0 "[ . 1 . 2]" 1
363 1 60 LYS QE 1 60 LYS HG2 . . 3.220 2.291 2.169 2.428 . 0 0 "[ . 1 . 2]" 1
364 1 19 LEU H 1 19 LEU HB2 . . 3.720 2.370 2.295 2.548 . 0 0 "[ . 1 . 2]" 1
365 1 33 LYS QE 1 33 LYS QG . . 3.210 2.071 1.936 2.173 . 0 0 "[ . 1 . 2]" 1
366 1 71 ASP H 1 71 ASP HB3 . . 3.590 3.233 3.154 3.297 . 0 0 "[ . 1 . 2]" 1
367 1 33 LYS QE 1 42 VAL HB . . 3.300 2.300 1.849 3.078 . 0 0 "[ . 1 . 2]" 1
368 1 69 LYS QE 1 69 LYS HG3 . . 3.140 2.407 2.034 2.807 . 0 0 "[ . 1 . 2]" 1
369 1 74 LYS QE 1 74 LYS HG2 . . 3.150 2.235 1.972 3.084 . 0 0 "[ . 1 . 2]" 1
370 1 74 LYS QE 1 82 THR MG . . 3.410 2.357 1.973 3.405 . 0 0 "[ . 1 . 2]" 1
371 1 71 ASP H 1 71 ASP HB2 . . 3.450 2.660 2.336 2.740 . 0 0 "[ . 1 . 2]" 1
372 1 67 LEU HB3 1 67 LEU MD1 . . 3.250 2.443 2.382 2.508 . 0 0 "[ . 1 . 2]" 1
373 1 67 LEU H 1 67 LEU HB3 . . 3.470 3.484 3.476 3.500 0.030 6 0 "[ . 1 . 2]" 1
374 1 67 LEU HB2 1 67 LEU HG . . 2.730 2.526 2.475 2.582 . 0 0 "[ . 1 . 2]" 1
375 1 67 LEU HB2 1 67 LEU MD1 . . 3.380 2.301 2.170 2.354 . 0 0 "[ . 1 . 2]" 1
376 1 31 ASP HB3 1 75 PHE HZ . . 3.710 2.441 2.001 2.733 . 0 0 "[ . 1 . 2]" 1
377 1 32 LEU HB2 1 32 LEU MD2 . . 3.310 3.202 3.193 3.207 . 0 0 "[ . 1 . 2]" 1
378 1 41 ASP QB 1 42 VAL H . . 3.730 3.701 3.567 3.756 0.026 15 0 "[ . 1 . 2]" 1
379 1 41 ASP H 1 41 ASP QB . . 3.240 2.311 2.130 2.474 . 0 0 "[ . 1 . 2]" 1
380 1 41 ASP QB 1 58 LEU QB . . 3.380 3.409 3.391 3.475 0.095 19 0 "[ . 1 . 2]" 1
381 1 57 TYR H 1 57 TYR HB2 . . 3.870 2.255 2.082 2.488 . 0 0 "[ . 1 . 2]" 1
382 1 70 LEU H 1 70 LEU HB2 . . 3.710 2.608 2.599 2.614 . 0 0 "[ . 1 . 2]" 1
383 1 32 LEU HB3 1 32 LEU MD2 . . 3.370 2.231 2.205 2.256 . 0 0 "[ . 1 . 2]" 1
384 1 32 LEU HB3 1 32 LEU MD1 . . 3.240 2.489 2.409 2.583 . 0 0 "[ . 1 . 2]" 1
385 1 70 LEU H 1 70 LEU HB3 . . 4.020 3.540 3.534 3.543 . 0 0 "[ . 1 . 2]" 1
386 1 70 LEU HB3 1 70 LEU MD1 . . 3.560 2.459 2.312 2.509 . 0 0 "[ . 1 . 2]" 1
387 1 70 LEU HB3 1 70 LEU MD2 . . 3.400 2.398 2.373 2.455 . 0 0 "[ . 1 . 2]" 1
388 1 73 THR HB 1 74 LYS H . . 3.630 2.435 2.186 2.880 . 0 0 "[ . 1 . 2]" 1
389 1 15 ASP H 1 15 ASP HB3 . . 3.670 3.296 2.337 3.859 0.189 19 0 "[ . 1 . 2]" 1
390 1 23 LEU H 1 23 LEU HB2 . . 3.710 2.257 2.168 2.444 . 0 0 "[ . 1 . 2]" 1
391 1 23 LEU HB3 1 23 LEU QD . . 2.690 2.141 1.989 2.379 . 0 0 "[ . 1 . 2]" 1
392 1 82 THR HB 1 83 SER H . . 3.580 2.938 2.563 3.268 . 0 0 "[ . 1 . 2]" 1
393 1 82 THR H 1 82 THR HB . . 4.180 3.667 3.549 3.860 . 0 0 "[ . 1 . 2]" 1
394 1 34 ASP H 1 34 ASP HB2 . . 3.590 2.374 2.030 2.671 . 0 0 "[ . 1 . 2]" 1
395 1 34 ASP H 1 34 ASP HB3 . . 3.460 3.409 2.779 3.585 0.125 14 0 "[ . 1 . 2]" 1
396 1 62 ASP H 1 62 ASP QB . . 3.590 2.392 2.185 2.641 . 0 0 "[ . 1 . 2]" 1
397 1 84 TYR H 1 84 TYR QB . . 3.350 2.004 1.893 2.111 . 0 0 "[ . 1 . 2]" 1
398 1 88 TYR HB3 1 89 PRO QD . . 3.400 3.283 3.212 3.395 . 0 0 "[ . 1 . 2]" 1
399 1 88 TYR HB2 1 89 PRO QD . . 3.310 2.120 1.991 2.202 . 0 0 "[ . 1 . 2]" 1
400 1 64 GLU H 1 64 GLU HG3 . . 3.540 2.216 2.083 2.380 . 0 0 "[ . 1 . 2]" 1
401 1 64 GLU HB2 1 64 GLU HG3 . . 3.000 2.358 2.314 2.393 . 0 0 "[ . 1 . 2]" 1
402 1 90 GLU HB2 1 90 GLU QG . . 2.640 2.321 2.179 2.571 . 0 0 "[ . 1 . 2]" 1
403 1 19 LEU QD 1 90 GLU QG . . 3.550 2.300 1.643 3.437 . 0 0 "[ . 1 . 2]" 1
404 1 56 GLU HB2 1 56 GLU HG3 . . 2.850 2.360 2.264 2.592 . 0 0 "[ . 1 . 2]" 1
405 1 19 LEU QD 1 54 MET QB . . 3.350 3.326 3.214 3.354 0.004 6 0 "[ . 1 . 2]" 1
406 1 54 MET H 1 54 MET QB . . 3.390 2.731 2.695 2.762 . 0 0 "[ . 1 . 2]" 1
407 1 79 GLU HA 1 79 GLU HG3 . . 3.840 3.524 2.683 3.646 . 0 0 "[ . 1 . 2]" 1
408 1 38 GLU H 1 38 GLU QG . . 3.990 3.129 2.863 3.591 . 0 0 "[ . 1 . 2]" 1
409 1 55 VAL HB 1 56 GLU H . . 3.800 3.287 2.875 3.679 . 0 0 "[ . 1 . 2]" 1
410 1 18 VAL MG2 1 55 VAL HB . . 3.410 2.872 2.583 3.118 . 0 0 "[ . 1 . 2]" 1
411 1 20 VAL HB 1 53 GLY H . . 4.060 3.024 2.464 3.454 . 0 0 "[ . 1 . 2]" 1
412 1 20 VAL H 1 20 VAL HB . . 3.670 2.407 2.252 2.529 . 0 0 "[ . 1 . 2]" 1
413 1 28 SER HB2 1 29 TRP H . . 3.840 3.295 2.063 3.830 . 0 0 "[ . 1 . 2]" 1
414 1 28 SER HB3 1 29 TRP H . . 3.800 2.502 2.050 3.800 . 0 0 "[ . 1 . 2]" 1
415 1 14 SER QB 1 15 ASP H . . 3.560 2.417 1.864 3.386 . 0 0 "[ . 1 . 2]" 1
416 1 71 ASP HA 1 87 VAL HB . . 3.670 2.617 2.392 2.762 . 0 0 "[ . 1 . 2]" 1
417 1 18 VAL HB 1 19 LEU H . . 3.620 3.366 2.851 3.586 . 0 0 "[ . 1 . 2]" 1
418 1 18 VAL HB 1 87 VAL QG . . 2.740 2.048 1.924 2.246 . 0 0 "[ . 1 . 2]" 1
419 1 47 VAL H 1 47 VAL HB . . 3.510 3.150 2.573 3.674 0.164 11 0 "[ . 1 . 2]" 1
420 1 42 VAL H 1 42 VAL HB . . 3.360 2.571 2.316 2.680 . 0 0 "[ . 1 . 2]" 1
421 1 17 ARG QB 1 17 ARG HG2 . . 2.670 2.311 2.182 2.508 . 0 0 "[ . 1 . 2]" 1
422 1 83 SER HB3 1 84 TYR H . . 3.470 2.718 2.192 3.887 0.417 2 0 "[ . 1 . 2]" 1
423 1 83 SER HB2 1 84 TYR H . . 3.890 3.572 2.490 3.898 0.008 9 0 "[ . 1 . 2]" 1
424 1 48 GLN HA 1 48 GLN HG2 . . 3.740 2.419 2.044 3.743 0.003 19 0 "[ . 1 . 2]" 1
425 1 69 LYS H 1 69 LYS HB3 . . 3.600 3.517 3.493 3.532 . 0 0 "[ . 1 . 2]" 1
426 1 69 LYS H 1 69 LYS HB2 . . 3.330 2.277 2.224 2.311 . 0 0 "[ . 1 . 2]" 1
427 1 48 GLN HA 1 48 GLN HG3 . . 3.820 3.378 3.030 3.757 . 0 0 "[ . 1 . 2]" 1
428 1 36 MET H 1 36 MET HG2 . . 3.650 2.263 2.124 2.430 . 0 0 "[ . 1 . 2]" 1
429 1 36 MET H 1 36 MET HG3 . . 3.770 3.617 3.548 3.702 . 0 0 "[ . 1 . 2]" 1
430 1 32 LEU MD2 1 36 MET HG3 . . 3.420 2.065 1.902 2.181 . 0 0 "[ . 1 . 2]" 1
431 1 49 LYS QB 1 50 ASP H . . 3.570 2.412 2.100 2.937 . 0 0 "[ . 1 . 2]" 1
432 1 30 GLN HA 1 30 GLN HG2 . . 3.480 2.310 1.969 2.738 . 0 0 "[ . 1 . 2]" 1
433 1 36 MET ME 1 36 MET HG3 . . 3.480 2.726 2.701 2.755 . 0 0 "[ . 1 . 2]" 1
434 1 74 LYS HB2 1 74 LYS QD . . 2.550 2.276 2.222 2.345 . 0 0 "[ . 1 . 2]" 1
435 1 74 LYS HB3 1 74 LYS QD . . 2.540 2.521 2.440 2.573 0.033 16 0 "[ . 1 . 2]" 1
436 1 74 LYS H 1 74 LYS HB2 . . 3.490 2.877 2.703 3.064 . 0 0 "[ . 1 . 2]" 1
437 1 74 LYS H 1 74 LYS HB3 . . 3.610 2.415 2.326 2.535 . 0 0 "[ . 1 . 2]" 1
438 1 60 LYS HB3 1 60 LYS HG2 . . 2.610 2.585 2.547 2.617 0.007 8 0 "[ . 1 . 2]" 1
439 1 33 LYS H 1 33 LYS HB2 . . 3.370 2.285 2.199 2.374 . 0 0 "[ . 1 . 2]" 1
440 1 33 LYS HB2 1 34 ASP H . . 3.740 3.645 3.567 3.719 . 0 0 "[ . 1 . 2]" 1
441 1 44 TYR HB2 1 56 GLU HB2 . . 3.600 2.709 1.993 3.589 . 0 0 "[ . 1 . 2]" 1
442 1 33 LYS HB2 1 45 ALA MB . . 3.400 2.295 1.886 2.524 . 0 0 "[ . 1 . 2]" 1
443 1 33 LYS H 1 33 LYS HB3 . . 3.530 2.650 2.548 2.755 . 0 0 "[ . 1 . 2]" 1
444 1 81 GLU H 1 81 GLU HB2 . . 3.660 2.319 2.097 2.988 . 0 0 "[ . 1 . 2]" 1
445 1 63 MET HB3 1 63 MET ME . . 2.790 1.865 1.841 1.888 . 0 0 "[ . 1 . 2]" 1
446 1 68 ARG QB 1 69 LYS H . . 3.730 1.998 1.965 2.053 . 0 0 "[ . 1 . 2]" 1
447 1 54 MET QG 1 55 VAL H . . 3.330 2.489 2.025 2.873 . 0 0 "[ . 1 . 2]" 1
448 1 54 MET HA 1 54 MET QG . . 3.520 2.304 2.253 2.367 . 0 0 "[ . 1 . 2]" 1
449 1 17 ARG QD 1 54 MET QG . . 3.650 2.350 2.002 3.100 . 0 0 "[ . 1 . 2]" 1
450 1 91 ARG HB3 1 91 ARG QG . . 2.570 2.395 2.179 2.569 . 0 0 "[ . 1 . 2]" 1
451 1 90 GLU H 1 90 GLU HB2 . . 4.200 2.632 2.197 3.766 . 0 0 "[ . 1 . 2]" 1
452 1 90 GLU H 1 90 GLU HB3 . . 3.220 2.790 2.228 3.238 0.018 8 0 "[ . 1 . 2]" 1
453 1 79 GLU HB2 1 79 GLU HG3 . . 2.780 2.383 2.299 2.963 0.183 9 0 "[ . 1 . 2]" 1
454 1 79 GLU H 1 79 GLU HB3 . . 3.690 3.439 3.333 3.594 . 0 0 "[ . 1 . 2]" 1
455 1 38 GLU H 1 38 GLU HB2 . . 3.040 2.193 2.173 2.204 . 0 0 "[ . 1 . 2]" 1
456 1 38 GLU HB3 1 39 ALA H . . 3.150 3.194 3.172 3.206 0.056 2 0 "[ . 1 . 2]" 1
457 1 42 VAL HA 1 43 CYS H . . 3.200 2.190 2.181 2.220 . 0 0 "[ . 1 . 2]" 1
458 1 42 VAL HA 1 57 TYR HA . . 3.610 3.064 2.662 3.365 . 0 0 "[ . 1 . 2]" 1
459 1 42 VAL HA 1 42 VAL MG1 . . 3.120 2.299 2.169 2.520 . 0 0 "[ . 1 . 2]" 1
460 1 33 LYS HA 1 33 LYS QG . . 3.200 2.294 2.157 2.418 . 0 0 "[ . 1 . 2]" 1
461 1 43 CYS HB3 1 58 LEU QD . . 3.980 2.337 1.756 2.967 . 0 0 "[ . 1 . 2]" 1
462 1 29 TRP HA 1 32 LEU HB3 . . 3.650 2.007 1.980 2.077 . 0 0 "[ . 1 . 2]" 1
463 1 29 TRP HA 1 47 VAL QG . . 3.170 2.602 1.841 3.082 . 0 0 "[ . 1 . 2]" 1
464 1 65 TYR HA 1 65 TYR HB2 . . 2.940 2.500 2.484 2.515 . 0 0 "[ . 1 . 2]" 1
465 1 36 MET HB3 1 55 VAL MG2 . . 3.520 2.560 2.387 2.679 . 0 0 "[ . 1 . 2]" 1
466 1 36 MET HB3 1 57 TYR HH . . 3.530 2.084 2.015 2.147 . 0 0 "[ . 1 . 2]" 1
467 1 37 ARG H 1 37 ARG HB2 . . 3.740 2.713 2.679 2.756 . 0 0 "[ . 1 . 2]" 1
468 1 36 MET H 1 36 MET HB2 . . 3.610 2.331 2.250 2.420 . 0 0 "[ . 1 . 2]" 1
469 1 36 MET HB2 1 57 TYR HH . . 3.550 3.552 3.407 3.586 0.036 10 0 "[ . 1 . 2]" 1
470 1 36 MET HB2 1 55 VAL MG2 . . 3.430 3.343 3.181 3.455 0.025 12 0 "[ . 1 . 2]" 1
471 1 61 GLU H 1 61 GLU QB . . 3.600 2.130 2.005 2.375 . 0 0 "[ . 1 . 2]" 1
472 1 87 VAL HA 1 88 TYR H . . 3.080 2.184 2.182 2.188 . 0 0 "[ . 1 . 2]" 1
473 1 87 VAL HA 1 87 VAL QG . . 2.950 2.068 2.002 2.139 . 0 0 "[ . 1 . 2]" 1
474 1 17 ARG QB 1 17 ARG HG3 . . 2.760 2.469 2.279 2.569 . 0 0 "[ . 1 . 2]" 1
475 1 19 LEU H 1 19 LEU HG . . 3.900 2.996 2.610 4.085 0.185 9 0 "[ . 1 . 2]" 1
476 1 69 LYS HA 1 69 LYS QD . . 3.500 2.806 2.468 3.225 . 0 0 "[ . 1 . 2]" 1
477 1 64 GLU HA 1 64 GLU HB2 . . 3.020 3.051 3.046 3.052 0.032 14 0 "[ . 1 . 2]" 1
478 1 64 GLU HA 1 64 GLU HG3 . . 3.710 3.348 3.213 3.431 . 0 0 "[ . 1 . 2]" 1
479 1 64 GLU HA 1 64 GLU HG2 . . 3.230 2.350 2.287 2.396 . 0 0 "[ . 1 . 2]" 1
480 1 64 GLU HA 1 64 GLU HB3 . . 2.980 2.507 2.476 2.558 . 0 0 "[ . 1 . 2]" 1
481 1 30 GLN HA 1 33 LYS HB3 . . 3.390 3.279 3.079 3.411 0.021 5 0 "[ . 1 . 2]" 1
482 1 30 GLN HA 1 30 GLN HG3 . . 3.920 3.057 2.482 3.668 . 0 0 "[ . 1 . 2]" 1
483 1 29 TRP QB 1 47 VAL HB . . 3.450 2.703 1.986 3.648 0.198 4 0 "[ . 1 . 2]" 1
484 1 60 LYS HA 1 60 LYS HG2 . . 3.060 2.899 2.794 3.060 . 0 0 "[ . 1 . 2]" 1
485 1 60 LYS HA 1 63 MET HB3 . . 3.650 3.365 3.187 3.548 . 0 0 "[ . 1 . 2]" 1
486 1 60 LYS HA 1 60 LYS HG3 . . 2.950 2.601 2.533 2.686 . 0 0 "[ . 1 . 2]" 1
487 1 82 THR HA 1 83 SER H . . 3.190 2.301 2.196 2.459 . 0 0 "[ . 1 . 2]" 1
488 1 76 ARG HA 1 82 THR HA . . 3.600 2.359 2.122 2.576 . 0 0 "[ . 1 . 2]" 1
489 1 20 VAL HA 1 87 VAL HA . . 3.540 3.162 2.929 3.347 . 0 0 "[ . 1 . 2]" 1
490 1 20 VAL HA 1 20 VAL MG2 . . 3.020 2.248 2.106 2.373 . 0 0 "[ . 1 . 2]" 1
491 1 61 GLU HA 1 61 GLU HG3 . . 3.250 2.978 2.394 3.640 0.390 1 0 "[ . 1 . 2]" 1
492 1 61 GLU HA 1 64 GLU HB2 . . 3.150 3.044 2.867 3.173 0.023 18 0 "[ . 1 . 2]" 1
493 1 61 GLU HA 1 61 GLU QB . . 2.760 2.537 2.470 2.564 . 0 0 "[ . 1 . 2]" 1
494 1 68 ARG HA 1 68 ARG QG . . 3.410 2.945 2.324 3.050 . 0 0 "[ . 1 . 2]" 1
495 1 30 GLN H 1 30 GLN HB2 . . 3.480 2.257 2.028 2.462 . 0 0 "[ . 1 . 2]" 1
496 1 30 GLN HB2 1 30 GLN HG3 . . 3.030 2.407 2.264 2.698 . 0 0 "[ . 1 . 2]" 1
497 1 30 GLN HB3 1 31 ASP H . . 3.450 2.574 1.974 3.208 . 0 0 "[ . 1 . 2]" 1
498 1 32 LEU MD1 1 54 MET H . . 3.600 3.223 2.793 3.424 . 0 0 "[ . 1 . 2]" 1
499 1 32 LEU HB2 1 32 LEU MD1 . . 2.910 2.183 2.083 2.307 . 0 0 "[ . 1 . 2]" 1
500 1 67 LEU MD2 1 89 PRO QG . . 3.620 3.544 3.395 3.654 0.034 16 0 "[ . 1 . 2]" 1
501 1 91 ARG HA 1 91 ARG QG . . 3.610 2.545 1.972 3.428 . 0 0 "[ . 1 . 2]" 1
502 1 39 ALA H 1 70 LEU MD1 . . 3.700 3.542 3.484 3.651 . 0 0 "[ . 1 . 2]" 1
503 1 36 MET HA 1 70 LEU MD1 . . 3.290 2.239 2.202 2.277 . 0 0 "[ . 1 . 2]" 1
504 1 36 MET ME 1 70 LEU MD1 . . 3.010 1.795 1.724 1.847 . 0 0 "[ . 1 . 2]" 1
505 1 38 GLU HB3 1 70 LEU MD1 . . 3.560 3.630 3.608 3.653 0.093 10 0 "[ . 1 . 2]" 1
506 1 76 ARG HB2 1 76 ARG HG3 . . 2.760 2.597 2.485 2.710 . 0 0 "[ . 1 . 2]" 1
507 1 76 ARG HG3 1 82 THR MG . . 2.470 2.038 1.813 2.293 . 0 0 "[ . 1 . 2]" 1
508 1 23 LEU HB3 1 23 LEU HG . . 3.030 2.892 2.352 3.009 . 0 0 "[ . 1 . 2]" 1
509 1 57 TYR QD 1 63 MET HA . . 3.750 2.054 1.986 2.451 . 0 0 "[ . 1 . 2]" 1
510 1 63 MET HA 1 63 MET HG3 . . 3.390 2.663 2.446 3.232 . 0 0 "[ . 1 . 2]" 1
511 1 63 MET HA 1 66 ALA MB . . 3.550 3.420 3.196 3.559 0.009 17 0 "[ . 1 . 2]" 1
512 1 18 VAL MG1 1 63 MET HA . . 3.840 2.626 2.301 3.135 . 0 0 "[ . 1 . 2]" 1
513 1 59 ARG HB3 1 59 ARG QG . . 2.450 2.411 2.272 2.468 0.018 3 0 "[ . 1 . 2]" 1
514 1 38 GLU HA 1 38 GLU QG . . 3.110 2.479 2.310 2.585 . 0 0 "[ . 1 . 2]" 1
515 1 24 PRO HG2 1 77 SER HB3 . . 3.610 2.081 1.985 2.883 . 0 0 "[ . 1 . 2]" 1
516 1 59 ARG HA 1 59 ARG QG . . 3.340 2.813 2.314 3.055 . 0 0 "[ . 1 . 2]" 1
517 1 67 LEU H 1 67 LEU MD1 . . 3.580 3.520 3.370 3.650 0.070 4 0 "[ . 1 . 2]" 1
518 1 84 TYR HA 1 85 ILE H . . 3.270 2.195 2.187 2.211 . 0 0 "[ . 1 . 2]" 1
519 1 64 GLU HA 1 67 LEU MD1 . . 3.200 1.956 1.918 2.029 . 0 0 "[ . 1 . 2]" 1
520 1 67 LEU MD1 1 89 PRO HB3 . . 3.430 2.588 2.414 2.713 . 0 0 "[ . 1 . 2]" 1
521 1 63 MET HG2 1 67 LEU MD1 . . 3.200 2.114 1.796 3.159 . 0 0 "[ . 1 . 2]" 1
522 1 67 LEU MD1 1 89 PRO QG . . 3.040 2.868 2.498 3.033 . 0 0 "[ . 1 . 2]" 1
523 1 19 LEU QD 1 90 GLU HB2 . . 4.140 2.684 1.890 3.241 . 0 0 "[ . 1 . 2]" 1
524 1 67 LEU HA 1 67 LEU HG . . 3.180 2.731 2.641 2.811 . 0 0 "[ . 1 . 2]" 1
525 1 18 VAL MG1 1 67 LEU HA . . 3.260 3.300 3.270 3.339 0.079 20 0 "[ . 1 . 2]" 1
526 1 67 LEU HA 1 67 LEU MD2 . . 2.800 2.099 1.962 2.305 . 0 0 "[ . 1 . 2]" 1
527 1 23 LEU QD 1 53 GLY HA3 . . 3.650 2.370 2.116 2.541 . 0 0 "[ . 1 . 2]" 1
528 1 23 LEU HB2 1 23 LEU QD . . 3.260 2.069 1.944 2.244 . 0 0 "[ . 1 . 2]" 1
529 1 20 VAL MG1 1 23 LEU QD . . 2.590 1.865 1.695 2.257 . 0 0 "[ . 1 . 2]" 1
530 1 23 LEU QD 1 32 LEU MD1 . . 2.670 1.899 1.719 2.078 . 0 0 "[ . 1 . 2]" 1
531 1 90 GLU HA 1 90 GLU QG . . 3.530 2.334 1.977 3.334 . 0 0 "[ . 1 . 2]" 1
532 1 19 LEU HG 1 90 GLU HA . . 3.870 2.986 2.418 3.588 . 0 0 "[ . 1 . 2]" 1
533 1 19 LEU QD 1 90 GLU HA . . 3.320 2.090 1.930 2.234 . 0 0 "[ . 1 . 2]" 1
534 1 37 ARG HA 1 39 ALA H . . 3.550 3.641 3.632 3.658 0.108 6 0 "[ . 1 . 2]" 1
535 1 49 LYS HA 1 50 ASP H . . 3.450 2.636 2.487 2.766 . 0 0 "[ . 1 . 2]" 1
536 1 85 ILE H 1 85 ILE HG13 . . 3.810 2.461 2.243 2.787 . 0 0 "[ . 1 . 2]" 1
537 1 20 VAL MG1 1 85 ILE HG13 . . 3.710 3.603 3.283 3.726 0.016 13 0 "[ . 1 . 2]" 1
538 1 85 ILE H 1 85 ILE HG12 . . 3.520 2.390 2.199 2.490 . 0 0 "[ . 1 . 2]" 1
539 1 58 LEU HA 1 58 LEU QD . . 3.210 2.147 1.900 3.013 . 0 0 "[ . 1 . 2]" 1
540 1 41 ASP QB 1 58 LEU QD . . 3.150 2.325 1.789 2.949 . 0 0 "[ . 1 . 2]" 1
541 1 74 LYS HA 1 74 LYS HG3 . . 3.650 2.486 2.380 2.620 . 0 0 "[ . 1 . 2]" 1
542 1 21 SER HA 1 22 GLY H . . 3.330 2.329 2.230 2.415 . 0 0 "[ . 1 . 2]" 1
543 1 74 LYS HA 1 75 PHE H . . 3.170 2.220 2.195 2.228 . 0 0 "[ . 1 . 2]" 1
544 1 74 LYS HA 1 84 TYR HA . . 3.650 2.822 2.617 3.026 . 0 0 "[ . 1 . 2]" 1
545 1 75 PHE HA 1 76 ARG H . . 3.320 2.221 2.194 2.328 . 0 0 "[ . 1 . 2]" 1
546 1 43 CYS HB2 1 58 LEU QD . . 3.390 2.204 1.761 3.627 0.237 1 0 "[ . 1 . 2]" 1
547 1 66 ALA HA 1 70 LEU H . . 3.490 2.742 2.694 2.784 . 0 0 "[ . 1 . 2]" 1
548 1 66 ALA HA 1 70 LEU HG . . 3.290 2.079 2.007 2.131 . 0 0 "[ . 1 . 2]" 1
549 1 66 ALA HA 1 70 LEU MD1 . . 3.450 2.962 2.862 3.106 . 0 0 "[ . 1 . 2]" 1
550 1 73 THR MG 1 74 LYS H . . 3.750 3.632 3.151 3.773 0.023 9 0 "[ . 1 . 2]" 1
551 1 73 THR H 1 73 THR MG . . 3.900 3.218 3.066 3.612 . 0 0 "[ . 1 . 2]" 1
552 1 70 LEU HA 1 73 THR MG . . 2.740 1.888 1.815 1.972 . 0 0 "[ . 1 . 2]" 1
553 1 70 LEU HB3 1 73 THR MG . . 3.300 2.253 2.005 3.214 . 0 0 "[ . 1 . 2]" 1
554 1 70 LEU MD2 1 73 THR MG . . 3.360 2.690 2.419 3.162 . 0 0 "[ . 1 . 2]" 1
555 1 32 LEU HA 1 32 LEU MD2 . . 3.160 3.274 3.236 3.326 0.166 9 0 "[ . 1 . 2]" 1
556 1 32 LEU MD2 1 36 MET HG2 . . 3.330 1.958 1.947 1.970 . 0 0 "[ . 1 . 2]" 1
557 1 23 LEU QD 1 32 LEU MD2 . . 4.750 3.863 3.659 4.015 . 0 0 "[ . 1 . 2]" 1
558 1 16 PHE HA 1 17 ARG H . . 3.200 2.231 2.199 2.474 . 0 0 "[ . 1 . 2]" 1
559 1 16 PHE HA 1 16 PHE QD . . 3.430 2.527 2.017 3.125 . 0 0 "[ . 1 . 2]" 1
560 1 79 GLU HA 1 79 GLU HG2 . . 3.290 2.449 2.139 3.517 0.227 9 0 "[ . 1 . 2]" 1
561 1 70 LEU H 1 70 LEU MD2 . . 3.570 3.014 2.793 3.092 . 0 0 "[ . 1 . 2]" 1
562 1 18 VAL MG1 1 57 TYR QD . . 3.710 2.532 2.211 2.863 . 0 0 "[ . 1 . 2]" 1
563 1 70 LEU HA 1 70 LEU MD2 . . 2.820 2.144 2.041 2.202 . 0 0 "[ . 1 . 2]" 1
564 1 38 GLU HB2 1 70 LEU MD2 . . 2.810 2.013 1.958 2.215 . 0 0 "[ . 1 . 2]" 1
565 1 38 GLU HB3 1 70 LEU MD2 . . 2.990 2.283 2.213 2.325 . 0 0 "[ . 1 . 2]" 1
566 1 19 LEU QD 1 54 MET HA . . 3.380 3.165 3.030 3.303 . 0 0 "[ . 1 . 2]" 1
567 1 54 MET HA 1 55 VAL H . . 2.880 2.240 2.202 2.343 . 0 0 "[ . 1 . 2]" 1
568 1 19 LEU HA 1 54 MET HA . . 3.320 3.030 2.721 3.198 . 0 0 "[ . 1 . 2]" 1
569 1 18 VAL H 1 18 VAL MG1 . . 3.820 3.077 2.881 3.241 . 0 0 "[ . 1 . 2]" 1
570 1 18 VAL HA 1 18 VAL MG1 . . 3.320 2.241 2.154 2.311 . 0 0 "[ . 1 . 2]" 1
571 1 18 VAL MG1 1 63 MET HG3 . . 3.170 2.258 1.893 3.165 . 0 0 "[ . 1 . 2]" 1
572 1 18 VAL MG1 1 67 LEU HG . . 3.080 1.779 1.754 1.862 . 0 0 "[ . 1 . 2]" 1
573 1 23 LEU QD 1 75 PHE QE . . 3.900 2.313 1.986 2.520 . 0 0 "[ . 1 . 2]" 1
574 1 23 LEU HA 1 23 LEU QD . . 3.360 2.359 1.908 2.670 . 0 0 "[ . 1 . 2]" 1
575 1 23 LEU QD 1 85 ILE MD . . 3.800 2.387 2.090 2.801 . 0 0 "[ . 1 . 2]" 1
576 1 17 ARG HA 1 56 GLU HA . . 3.530 2.091 1.991 2.287 . 0 0 "[ . 1 . 2]" 1
577 1 17 ARG HA 1 18 VAL H . . 3.190 2.642 2.512 2.696 . 0 0 "[ . 1 . 2]" 1
578 1 45 ALA MB 1 46 ASP H . . 3.370 3.360 3.169 3.421 0.051 1 0 "[ . 1 . 2]" 1
579 1 45 ALA H 1 45 ALA MB . . 3.520 2.657 2.590 2.716 . 0 0 "[ . 1 . 2]" 1
580 1 29 TRP HE3 1 45 ALA MB . . 3.640 2.687 2.239 3.077 . 0 0 "[ . 1 . 2]" 1
581 1 33 LYS QD 1 45 ALA MB . . 3.270 2.272 1.720 3.157 . 0 0 "[ . 1 . 2]" 1
582 1 42 VAL MG1 1 45 ALA MB . . 2.840 2.113 1.940 2.383 . 0 0 "[ . 1 . 2]" 1
583 1 18 VAL MG1 1 63 MET HG2 . . 3.280 2.277 1.877 2.503 . 0 0 "[ . 1 . 2]" 1
584 1 67 LEU MD2 1 89 PRO HA . . 3.840 3.057 2.749 3.244 . 0 0 "[ . 1 . 2]" 1
585 1 18 VAL HB 1 67 LEU MD2 . . 3.160 2.142 1.971 2.400 . 0 0 "[ . 1 . 2]" 1
586 1 67 LEU HB3 1 67 LEU MD2 . . 2.900 2.316 2.212 2.382 . 0 0 "[ . 1 . 2]" 1
587 1 67 LEU HB2 1 67 LEU MD2 . . 3.220 3.201 3.186 3.207 . 0 0 "[ . 1 . 2]" 1
588 1 67 LEU MD2 1 88 TYR HA . . 3.430 2.098 1.903 2.377 . 0 0 "[ . 1 . 2]" 1
589 1 67 LEU MD2 1 89 PRO QD . . 2.940 2.389 2.186 2.676 . 0 0 "[ . 1 . 2]" 1
590 1 19 LEU HA 1 19 LEU QD . . 3.200 1.928 1.874 1.988 . 0 0 "[ . 1 . 2]" 1
591 1 19 LEU QD 1 54 MET QG . . 3.260 2.242 1.858 2.642 . 0 0 "[ . 1 . 2]" 1
592 1 42 VAL MG1 1 44 TYR H . . 3.440 2.226 1.967 2.471 . 0 0 "[ . 1 . 2]" 1
593 1 33 LYS HA 1 42 VAL MG1 . . 4.060 3.731 3.462 3.964 . 0 0 "[ . 1 . 2]" 1
594 1 42 VAL MG1 1 43 CYS H . . 3.740 2.690 2.349 3.131 . 0 0 "[ . 1 . 2]" 1
595 1 33 LYS QG 1 42 VAL MG1 . . 3.070 2.047 1.941 2.339 . 0 0 "[ . 1 . 2]" 1
596 1 46 ASP H 1 55 VAL MG1 . . 3.620 3.233 2.943 3.607 . 0 0 "[ . 1 . 2]" 1
597 1 55 VAL HA 1 55 VAL MG1 . . 3.250 2.149 2.036 2.175 . 0 0 "[ . 1 . 2]" 1
598 1 36 MET HG3 1 55 VAL MG1 . . 3.300 2.466 2.244 2.566 . 0 0 "[ . 1 . 2]" 1
599 1 36 MET ME 1 55 VAL MG1 . . 3.540 3.580 3.382 3.646 0.106 20 0 "[ . 1 . 2]" 1
600 1 45 ALA MB 1 55 VAL MG1 . . 3.030 2.237 1.905 2.652 . 0 0 "[ . 1 . 2]" 1
601 1 20 VAL MG1 1 21 SER H . . 3.530 2.429 2.101 2.630 . 0 0 "[ . 1 . 2]" 1
602 1 20 VAL HA 1 20 VAL MG1 . . 3.230 2.516 2.408 2.613 . 0 0 "[ . 1 . 2]" 1
603 1 11 THR HA 1 11 THR MG . . 3.720 2.768 2.196 3.241 . 0 0 "[ . 1 . 2]" 1
604 1 20 VAL MG1 1 85 ILE HB . . 2.800 1.941 1.827 2.365 . 0 0 "[ . 1 . 2]" 1
605 1 18 VAL H 1 18 VAL MG2 . . 3.390 1.957 1.903 2.079 . 0 0 "[ . 1 . 2]" 1
606 1 87 VAL H 1 87 VAL QG . . 3.290 2.415 2.291 2.520 . 0 0 "[ . 1 . 2]" 1
607 1 71 ASP HA 1 87 VAL QG . . 3.320 2.552 2.353 2.693 . 0 0 "[ . 1 . 2]" 1
608 1 67 LEU HA 1 87 VAL QG . . 3.420 1.997 1.927 2.141 . 0 0 "[ . 1 . 2]" 1
609 1 29 TRP QB 1 47 VAL QG . . 3.640 1.992 1.630 2.798 . 0 0 "[ . 1 . 2]" 1
610 1 23 LEU HA 1 24 PRO QD . . 3.250 1.974 1.927 2.006 . 0 0 "[ . 1 . 2]" 1
611 1 23 LEU QD 1 47 VAL QG . . 5.190 2.228 1.838 2.953 . 0 0 "[ . 1 . 2]" 1
612 1 18 VAL MG2 1 57 TYR QE . . 3.430 2.128 1.963 2.386 . 0 0 "[ . 1 . 2]" 1
613 1 18 VAL MG2 1 55 VAL H . . 3.300 2.841 2.755 3.000 . 0 0 "[ . 1 . 2]" 1
614 1 55 VAL H 1 55 VAL MG2 . . 3.450 1.957 1.874 2.133 . 0 0 "[ . 1 . 2]" 1
615 1 37 ARG H 1 42 VAL MG2 . . 3.580 2.928 2.767 3.039 . 0 0 "[ . 1 . 2]" 1
616 1 42 VAL H 1 42 VAL MG2 . . 3.240 2.188 1.977 2.452 . 0 0 "[ . 1 . 2]" 1
617 1 42 VAL MG2 1 57 TYR QD . . 3.950 3.245 2.978 3.507 . 0 0 "[ . 1 . 2]" 1
618 1 42 VAL MG2 1 57 TYR QE . . 3.240 2.385 2.032 2.717 . 0 0 "[ . 1 . 2]" 1
619 1 37 ARG HA 1 42 VAL MG2 . . 3.310 2.023 1.838 2.147 . 0 0 "[ . 1 . 2]" 1
620 1 55 VAL HA 1 55 VAL MG2 . . 3.480 3.092 3.045 3.124 . 0 0 "[ . 1 . 2]" 1
621 1 42 VAL HA 1 42 VAL MG2 . . 3.480 2.479 2.262 2.554 . 0 0 "[ . 1 . 2]" 1
622 1 36 MET HG2 1 55 VAL MG2 . . 3.900 3.338 3.259 3.382 . 0 0 "[ . 1 . 2]" 1
623 1 36 MET HG3 1 55 VAL MG2 . . 3.000 1.876 1.815 1.907 . 0 0 "[ . 1 . 2]" 1
624 1 37 ARG HB3 1 42 VAL MG2 . . 3.160 3.148 3.074 3.187 0.027 3 0 "[ . 1 . 2]" 1
625 1 52 MET HA 1 53 GLY H . . 3.130 2.447 2.284 2.574 . 0 0 "[ . 1 . 2]" 1
626 1 21 SER HA 1 52 MET HA . . 2.670 2.066 1.926 2.211 . 0 0 "[ . 1 . 2]" 1
627 1 82 THR MG 1 83 SER H . . 4.080 3.840 3.697 4.097 0.017 9 0 "[ . 1 . 2]" 1
628 1 82 THR H 1 82 THR MG . . 3.880 2.870 2.534 3.134 . 0 0 "[ . 1 . 2]" 1
629 1 82 THR HA 1 82 THR MG . . 3.360 2.375 2.192 2.516 . 0 0 "[ . 1 . 2]" 1
630 1 76 ARG HA 1 82 THR MG . . 3.590 2.210 1.978 2.719 . 0 0 "[ . 1 . 2]" 1
631 1 20 VAL H 1 20 VAL MG2 . . 3.410 2.842 2.583 3.227 . 0 0 "[ . 1 . 2]" 1
632 1 39 ALA MB 1 66 ALA H . . 3.110 2.273 2.116 2.562 . 0 0 "[ . 1 . 2]" 1
633 1 39 ALA MB 1 57 TYR HH . . 3.110 2.728 2.621 2.839 . 0 0 "[ . 1 . 2]" 1
634 1 39 ALA H 1 39 ALA MB . . 2.990 1.964 1.934 2.051 . 0 0 "[ . 1 . 2]" 1
635 1 39 ALA MB 1 66 ALA HA . . 3.520 3.422 3.264 3.544 0.024 13 0 "[ . 1 . 2]" 1
636 1 39 ALA MB 1 65 TYR HB3 . . 3.640 2.738 2.592 2.823 . 0 0 "[ . 1 . 2]" 1
637 1 39 ALA MB 1 70 LEU MD1 . . 3.460 3.508 3.464 3.548 0.088 3 0 "[ . 1 . 2]" 1
638 1 72 ASP H 1 86 ARG HA . . 3.800 2.176 2.016 2.422 . 0 0 "[ . 1 . 2]" 1
639 1 66 ALA H 1 66 ALA MB . . 2.970 1.958 1.932 2.041 . 0 0 "[ . 1 . 2]" 1
640 1 57 TYR QE 1 66 ALA MB . . 3.410 2.570 2.398 2.800 . 0 0 "[ . 1 . 2]" 1
641 1 66 ALA MB 1 70 LEU HG . . 2.780 2.740 2.632 2.800 0.020 3 0 "[ . 1 . 2]" 1
642 1 66 ALA MB 1 87 VAL QG . . 2.980 2.903 2.805 2.994 0.014 17 0 "[ . 1 . 2]" 1
643 1 45 ALA HA 1 46 ASP H . . 3.440 2.190 2.186 2.203 . 0 0 "[ . 1 . 2]" 1
644 1 24 PRO HA 1 25 PRO HD3 . . 3.220 2.161 2.119 2.199 . 0 0 "[ . 1 . 2]" 1
645 1 66 ALA MB 1 67 LEU H . . 3.370 2.788 2.727 2.816 . 0 0 "[ . 1 . 2]" 1
646 1 66 ALA MB 1 70 LEU MD1 . . 3.670 1.806 1.707 1.956 . 0 0 "[ . 1 . 2]" 1
647 1 18 VAL MG1 1 66 ALA MB . . 2.990 2.987 2.887 3.064 0.074 18 0 "[ . 1 . 2]" 1
648 1 88 TYR HA 1 89 PRO QD . . 3.000 1.967 1.941 2.005 . 0 0 "[ . 1 . 2]" 1
649 1 9 PRO HA 1 10 PRO HD2 . . 3.150 2.748 2.608 2.944 . 0 0 "[ . 1 . 2]" 1
650 1 9 PRO HA 1 10 PRO HD3 . . 3.270 2.047 1.972 2.174 . 0 0 "[ . 1 . 2]" 1
651 1 23 LEU QD 1 24 PRO QD . . 3.740 2.004 1.808 2.277 . 0 0 "[ . 1 . 2]" 1
652 1 23 LEU HB3 1 24 PRO QD . . 3.810 2.093 1.984 2.196 . 0 0 "[ . 1 . 2]" 1
653 1 63 MET ME 1 64 GLU H . . 3.920 3.100 2.878 3.342 . 0 0 "[ . 1 . 2]" 1
654 1 16 PHE QD 1 63 MET ME . . 3.810 2.210 1.941 2.760 . 0 0 "[ . 1 . 2]" 1
655 1 16 PHE HA 1 63 MET ME . . 4.140 2.974 2.324 3.365 . 0 0 "[ . 1 . 2]" 1
656 1 63 MET ME 1 64 GLU HA . . 3.980 3.989 3.817 4.063 0.083 19 0 "[ . 1 . 2]" 1
657 1 16 PHE HB3 1 63 MET ME . . 3.910 2.121 1.960 2.446 . 0 0 "[ . 1 . 2]" 1
658 1 60 LYS HA 1 63 MET ME . . 3.310 2.708 2.508 3.012 . 0 0 "[ . 1 . 2]" 1
659 1 60 LYS HG2 1 63 MET ME . . 3.390 2.962 2.567 3.403 0.013 17 0 "[ . 1 . 2]" 1
660 1 60 LYS HG3 1 63 MET ME . . 3.030 2.524 2.247 2.933 . 0 0 "[ . 1 . 2]" 1
661 1 63 MET ME 1 67 LEU MD1 . . 2.980 2.944 2.800 3.000 0.020 7 0 "[ . 1 . 2]" 1
662 1 17 ARG QD 1 54 MET ME . . 3.500 2.568 1.903 3.339 . 0 0 "[ . 1 . 2]" 1
663 1 19 LEU QD 1 54 MET ME . . 4.080 3.983 3.598 4.059 . 0 0 "[ . 1 . 2]" 1
664 1 44 TYR QE 1 54 MET ME . . 3.520 2.748 2.024 3.341 . 0 0 "[ . 1 . 2]" 1
665 1 54 MET ME 1 54 MET QG . . 3.150 2.170 1.941 2.363 . 0 0 "[ . 1 . 2]" 1
666 1 85 ILE MG 1 86 ARG H . . 3.990 3.923 3.613 3.980 . 0 0 "[ . 1 . 2]" 1
667 1 85 ILE H 1 85 ILE MG . . 3.640 2.807 2.658 3.104 . 0 0 "[ . 1 . 2]" 1
668 1 85 ILE HA 1 85 ILE MG . . 3.340 2.318 2.163 2.387 . 0 0 "[ . 1 . 2]" 1
669 1 75 PHE HB3 1 85 ILE MG . . 3.550 2.682 2.060 3.047 . 0 0 "[ . 1 . 2]" 1
670 1 75 PHE HB2 1 85 ILE MG . . 3.400 3.082 2.598 3.407 0.007 7 0 "[ . 1 . 2]" 1
671 1 85 ILE HG13 1 85 ILE MG . . 3.520 3.189 3.136 3.226 . 0 0 "[ . 1 . 2]" 1
672 1 85 ILE HG12 1 85 ILE MG . . 3.350 2.272 2.075 2.391 . 0 0 "[ . 1 . 2]" 1
673 1 85 ILE MD 1 85 ILE MG . . 2.950 2.257 2.000 2.523 . 0 0 "[ . 1 . 2]" 1
674 1 23 LEU QD 1 85 ILE MG . . 3.210 2.014 1.632 2.260 . 0 0 "[ . 1 . 2]" 1
675 1 20 VAL MG1 1 85 ILE MG . . 3.150 2.726 2.541 2.987 . 0 0 "[ . 1 . 2]" 1
676 1 21 SER QB 1 52 MET ME . . 3.930 2.702 1.908 3.611 . 0 0 "[ . 1 . 2]" 1
677 1 36 MET ME 1 66 ALA MB . . 3.110 2.152 2.089 2.241 . 0 0 "[ . 1 . 2]" 1
678 1 18 VAL MG2 1 36 MET ME . . 2.410 1.847 1.762 1.992 . 0 0 "[ . 1 . 2]" 1
679 1 36 MET ME 1 55 VAL MG2 . . 2.730 1.943 1.912 2.007 . 0 0 "[ . 1 . 2]" 1
680 1 36 MET ME 1 57 TYR HH . . 3.470 1.947 1.863 2.256 . 0 0 "[ . 1 . 2]" 1
681 1 36 MET ME 1 57 TYR QE . . 3.660 2.749 2.531 2.875 . 0 0 "[ . 1 . 2]" 1
682 1 36 MET ME 1 36 MET HG2 . . 3.610 3.343 3.335 3.348 . 0 0 "[ . 1 . 2]" 1
683 1 36 MET HB3 1 36 MET ME . . 2.880 1.838 1.829 1.842 . 0 0 "[ . 1 . 2]" 1
684 1 11 THR HA 1 12 ARG QG . . 5.100 4.450 2.998 5.182 0.082 16 0 "[ . 1 . 2]" 1
685 1 11 THR MG 1 44 TYR QE . . 4.820 4.242 2.395 4.821 0.001 13 0 "[ . 1 . 2]" 1
686 1 11 THR MG 1 44 TYR QD . . 4.580 3.914 2.075 4.583 0.003 10 0 "[ . 1 . 2]" 1
687 1 11 THR MG 1 13 ARG H . . 5.020 3.744 2.755 5.071 0.051 12 0 "[ . 1 . 2]" 1
688 1 59 ARG QG 1 62 ASP H . . 4.230 4.261 4.236 4.311 0.081 17 0 "[ . 1 . 2]" 1
689 1 37 ARG H 1 37 ARG HG3 . . 3.830 2.560 2.144 2.703 . 0 0 "[ . 1 . 2]" 1
690 1 24 PRO HG2 1 27 GLY H . . 4.170 2.417 2.064 2.671 . 0 0 "[ . 1 . 2]" 1
691 1 24 PRO HG2 1 75 PHE QE . . 4.290 3.062 2.725 3.671 . 0 0 "[ . 1 . 2]" 1
692 1 24 PRO HG2 1 75 PHE QD . . 4.310 3.393 3.143 4.199 . 0 0 "[ . 1 . 2]" 1
693 1 13 ARG HB3 1 14 SER H . . 4.370 3.497 1.950 4.527 0.157 16 0 "[ . 1 . 2]" 1
694 1 13 ARG HA 1 14 SER HA . . 4.700 4.386 4.279 4.527 . 0 0 "[ . 1 . 2]" 1
695 1 13 ARG HB2 1 14 SER QB . . 4.360 4.281 3.581 5.247 0.887 13 5 "[ * * * 1 + . -]" 1
696 1 14 SER QB 1 16 PHE QD . . 4.680 2.561 1.990 3.689 . 0 0 "[ . 1 . 2]" 1
697 1 14 SER QB 1 58 LEU QD . . 4.990 3.325 2.029 4.322 . 0 0 "[ . 1 . 2]" 1
698 1 14 SER QB 1 16 PHE QE . . 5.180 3.459 2.051 4.584 . 0 0 "[ . 1 . 2]" 1
699 1 15 ASP H 1 15 ASP HB2 . . 3.920 2.867 2.162 3.711 . 0 0 "[ . 1 . 2]" 1
700 1 15 ASP HB2 1 16 PHE H . . 4.700 4.337 3.701 4.719 0.019 18 0 "[ . 1 . 2]" 1
701 1 15 ASP HB3 1 16 PHE H . . 4.660 3.875 2.257 4.707 0.047 9 0 "[ . 1 . 2]" 1
702 1 16 PHE HA 1 63 MET HG3 . . 4.920 4.065 2.931 4.630 . 0 0 "[ . 1 . 2]" 1
703 1 16 PHE HB3 1 63 MET HB2 . . 4.030 2.174 1.983 2.333 . 0 0 "[ . 1 . 2]" 1
704 1 16 PHE HB3 1 63 MET HB3 . . 4.050 3.116 2.767 3.346 . 0 0 "[ . 1 . 2]" 1
705 1 16 PHE HB3 1 57 TYR HB2 . . 4.610 3.556 2.929 3.849 . 0 0 "[ . 1 . 2]" 1
706 1 16 PHE HB3 1 57 TYR H . . 4.790 4.479 4.106 4.784 . 0 0 "[ . 1 . 2]" 1
707 1 16 PHE HB2 1 63 MET HB2 . . 4.290 3.232 2.623 3.487 . 0 0 "[ . 1 . 2]" 1
708 1 16 PHE HB2 1 63 MET HB3 . . 4.770 4.604 4.010 4.781 0.011 20 0 "[ . 1 . 2]" 1
709 1 16 PHE HB2 1 57 TYR HB2 . . 4.470 2.950 2.137 3.382 . 0 0 "[ . 1 . 2]" 1
710 1 16 PHE HB2 1 57 TYR H . . 4.700 3.447 2.784 3.922 . 0 0 "[ . 1 . 2]" 1
711 1 17 ARG HA 1 17 ARG QD . . 4.890 4.257 4.009 4.563 . 0 0 "[ . 1 . 2]" 1
712 1 17 ARG HA 1 57 TYR H . . 3.480 2.839 2.339 3.317 . 0 0 "[ . 1 . 2]" 1
713 1 17 ARG QB 1 56 GLU HG2 . . 3.510 2.068 1.793 3.849 0.339 18 0 "[ . 1 . 2]" 1
714 1 17 ARG QB 1 54 MET ME . . 3.570 2.378 1.812 3.206 . 0 0 "[ . 1 . 2]" 1
715 1 17 ARG QB 1 56 GLU HA . . 4.770 2.472 1.958 3.962 . 0 0 "[ . 1 . 2]" 1
716 1 17 ARG QB 1 17 ARG HE . . 4.210 3.122 2.137 4.252 0.042 11 0 "[ . 1 . 2]" 1
717 1 17 ARG HG2 1 18 VAL H . . 4.510 4.390 3.415 4.658 0.148 16 0 "[ . 1 . 2]" 1
718 1 17 ARG HA 1 17 ARG HG2 . . 4.060 3.836 2.625 4.098 0.038 16 0 "[ . 1 . 2]" 1
719 1 17 ARG HG2 1 54 MET QG . . 4.620 4.517 3.088 4.680 0.060 20 0 "[ . 1 . 2]" 1
720 1 17 ARG HA 1 17 ARG HG3 . . 4.040 3.596 2.455 3.924 . 0 0 "[ . 1 . 2]" 1
721 1 17 ARG HG3 1 18 VAL H . . 4.490 3.447 2.883 4.323 . 0 0 "[ . 1 . 2]" 1
722 1 18 VAL HB 1 66 ALA MB . . 5.290 4.511 4.359 4.688 . 0 0 "[ . 1 . 2]" 1
723 1 18 VAL H 1 18 VAL HB . . 3.890 3.772 3.717 3.820 . 0 0 "[ . 1 . 2]" 1
724 1 18 VAL HB 1 57 TYR QE . . 4.510 4.062 3.881 4.509 . 0 0 "[ . 1 . 2]" 1
725 1 19 LEU HB3 1 20 VAL H . . 4.100 3.436 3.229 3.635 . 0 0 "[ . 1 . 2]" 1
726 1 19 LEU H 1 19 LEU HB3 . . 4.040 3.568 3.540 3.635 . 0 0 "[ . 1 . 2]" 1
727 1 19 LEU HB2 1 88 TYR HB2 . . 4.880 4.508 4.229 4.921 0.041 11 0 "[ . 1 . 2]" 1
728 1 19 LEU HB2 1 88 TYR QE . . 4.880 2.833 2.657 2.999 . 0 0 "[ . 1 . 2]" 1
729 1 19 LEU HB2 1 88 TYR QD . . 4.900 3.013 2.710 3.287 . 0 0 "[ . 1 . 2]" 1
730 1 19 LEU HB2 1 20 VAL H . . 4.400 4.351 4.233 4.420 0.020 16 0 "[ . 1 . 2]" 1
731 1 19 LEU HB2 1 88 TYR H . . 4.780 3.576 3.424 3.766 . 0 0 "[ . 1 . 2]" 1
732 1 19 LEU HG 1 90 GLU H . . 5.060 4.084 3.509 5.117 0.057 9 0 "[ . 1 . 2]" 1
733 1 66 ALA H 1 69 LYS QD . . 4.840 4.469 4.273 4.675 . 0 0 "[ . 1 . 2]" 1
734 1 19 LEU HA 1 19 LEU HG . . 4.010 3.354 3.169 3.720 . 0 0 "[ . 1 . 2]" 1
735 1 19 LEU QD 1 90 GLU H . . 4.470 3.709 2.479 4.168 . 0 0 "[ . 1 . 2]" 1
736 1 19 LEU QD 1 88 TYR H . . 5.500 4.685 3.796 4.957 . 0 0 "[ . 1 . 2]" 1
737 1 17 ARG QD 1 19 LEU QD . . 3.870 2.311 1.602 3.812 . 0 0 "[ . 1 . 2]" 1
738 1 19 LEU QD 1 55 VAL H . . 4.230 3.925 3.737 4.176 . 0 0 "[ . 1 . 2]" 1
739 1 20 VAL HA 1 86 ARG H . . 4.860 4.295 3.845 4.505 . 0 0 "[ . 1 . 2]" 1
740 1 20 VAL HA 1 88 TYR H . . 4.160 3.996 3.693 4.236 0.076 9 0 "[ . 1 . 2]" 1
741 1 20 VAL HB 1 85 ILE MD . . 5.500 4.095 3.874 4.396 . 0 0 "[ . 1 . 2]" 1
742 1 20 VAL HB 1 53 GLY HA3 . . 4.100 2.379 2.000 2.788 . 0 0 "[ . 1 . 2]" 1
743 1 20 VAL HB 1 53 GLY HA2 . . 4.530 3.941 3.553 4.311 . 0 0 "[ . 1 . 2]" 1
744 1 20 VAL HB 1 54 MET HA . . 4.160 4.119 3.990 4.188 0.028 18 0 "[ . 1 . 2]" 1
745 1 20 VAL HB 1 54 MET H . . 4.770 4.146 3.908 4.378 . 0 0 "[ . 1 . 2]" 1
746 1 20 VAL HB 1 21 SER H . . 4.450 4.227 4.143 4.365 . 0 0 "[ . 1 . 2]" 1
747 1 20 VAL MG1 1 21 SER HA . . 4.400 3.305 3.170 3.440 . 0 0 "[ . 1 . 2]" 1
748 1 21 SER HA 1 22 GLY HA2 . . 4.580 4.530 4.462 4.596 0.016 18 0 "[ . 1 . 2]" 1
749 1 21 SER HA 1 22 GLY HA3 . . 4.890 4.496 4.429 4.563 . 0 0 "[ . 1 . 2]" 1
750 1 21 SER HA 1 23 LEU H . . 4.210 3.642 3.263 4.188 . 0 0 "[ . 1 . 2]" 1
751 1 21 SER QB 1 23 LEU H . . 5.400 4.881 4.657 5.128 . 0 0 "[ . 1 . 2]" 1
752 1 20 VAL MG1 1 21 SER QB . . 5.060 4.327 4.064 4.413 . 0 0 "[ . 1 . 2]" 1
753 1 22 GLY HA3 1 85 ILE HA . . 4.650 2.946 2.611 3.109 . 0 0 "[ . 1 . 2]" 1
754 1 22 GLY HA2 1 85 ILE HA . . 4.640 4.584 4.363 4.694 0.054 13 0 "[ . 1 . 2]" 1
755 1 23 LEU HA 1 85 ILE MG . . 3.720 2.127 1.983 2.335 . 0 0 "[ . 1 . 2]" 1
756 1 23 LEU HA 1 23 LEU HG . . 3.590 2.667 2.390 3.688 0.098 15 0 "[ . 1 . 2]" 1
757 1 23 LEU HA 1 24 PRO HG3 . . 5.000 4.281 4.242 4.309 . 0 0 "[ . 1 . 2]" 1
758 1 23 LEU HA 1 75 PHE QD . . 4.890 3.344 2.986 3.492 . 0 0 "[ . 1 . 2]" 1
759 1 23 LEU HA 1 75 PHE QE . . 4.710 4.642 4.229 4.738 0.028 5 0 "[ . 1 . 2]" 1
760 1 23 LEU HB2 1 51 GLY HA3 . . 3.680 3.005 2.854 3.092 . 0 0 "[ . 1 . 2]" 1
761 1 22 GLY H 1 23 LEU HG . . 5.120 4.539 3.971 5.258 0.138 20 0 "[ . 1 . 2]" 1
762 1 20 VAL HB 1 23 LEU QD . . 3.970 2.980 2.563 3.623 . 0 0 "[ . 1 . 2]" 1
763 1 23 LEU QD 1 47 VAL HB . . 4.350 3.823 3.438 4.217 . 0 0 "[ . 1 . 2]" 1
764 1 23 LEU QD 1 52 MET HB3 . . 4.600 4.361 4.149 4.659 0.059 7 0 "[ . 1 . 2]" 1
765 1 23 LEU QD 1 47 VAL HA . . 4.400 3.776 3.556 4.218 . 0 0 "[ . 1 . 2]" 1
766 1 23 LEU QD 1 53 GLY HA2 . . 4.270 3.192 2.950 3.665 . 0 0 "[ . 1 . 2]" 1
767 1 21 SER HA 1 23 LEU QD . . 4.780 3.383 2.687 3.816 . 0 0 "[ . 1 . 2]" 1
768 1 23 LEU QD 1 75 PHE QD . . 3.970 2.108 1.934 2.405 . 0 0 "[ . 1 . 2]" 1
769 1 23 LEU H 1 23 LEU QD . . 3.940 2.994 1.767 3.424 . 0 0 "[ . 1 . 2]" 1
770 1 23 LEU QD 1 53 GLY H . . 4.640 3.056 2.636 3.385 . 0 0 "[ . 1 . 2]" 1
771 1 23 LEU QD 1 48 GLN H . . 4.290 3.774 3.341 4.240 . 0 0 "[ . 1 . 2]" 1
772 1 23 LEU QD 1 75 PHE HB2 . . 4.860 3.707 3.441 3.969 . 0 0 "[ . 1 . 2]" 1
773 1 23 LEU QD 1 27 GLY HA2 . . 5.500 4.098 3.882 4.621 . 0 0 "[ . 1 . 2]" 1
774 1 23 LEU QD 1 75 PHE HZ . . 3.880 3.632 3.494 3.886 0.006 20 0 "[ . 1 . 2]" 1
775 1 25 PRO HA 1 27 GLY H . . 4.680 3.977 3.788 4.294 . 0 0 "[ . 1 . 2]" 1
776 1 25 PRO HB3 1 26 SER H . . 4.190 4.443 4.372 4.504 0.314 2 0 "[ . 1 . 2]" 1
777 1 24 PRO HA 1 25 PRO HG2 . . 4.550 4.805 4.759 4.846 0.296 15 0 "[ . 1 . 2]" 1
778 1 25 PRO HG2 1 26 SER H . . 4.520 3.347 3.166 3.513 . 0 0 "[ . 1 . 2]" 1
779 1 25 PRO HG3 1 26 SER H . . 5.050 4.411 4.292 4.521 . 0 0 "[ . 1 . 2]" 1
780 1 24 PRO HA 1 25 PRO HG3 . . 4.850 4.390 4.355 4.423 . 0 0 "[ . 1 . 2]" 1
781 1 26 SER HB3 1 79 GLU HB2 . . 4.650 2.487 2.149 3.696 . 0 0 "[ . 1 . 2]" 1
782 1 26 SER HB2 1 79 GLU HB2 . . 4.460 2.380 2.021 3.313 . 0 0 "[ . 1 . 2]" 1
783 1 26 SER HB2 1 79 GLU HG2 . . 4.150 4.077 3.276 4.569 0.419 14 0 "[ . 1 . 2]" 1
784 1 26 SER HB2 1 79 GLU HG3 . . 3.930 3.388 2.320 4.444 0.514 9 1 "[ . +1 . 2]" 1
785 1 26 SER HB2 1 79 GLU HB3 . . 3.860 3.762 3.479 4.025 0.165 9 0 "[ . 1 . 2]" 1
786 1 23 LEU QD 1 27 GLY HA3 . . 5.020 3.128 2.949 3.607 . 0 0 "[ . 1 . 2]" 1
787 1 23 LEU HB3 1 27 GLY HA3 . . 4.890 3.263 3.128 3.427 . 0 0 "[ . 1 . 2]" 1
788 1 27 GLY HA3 1 75 PHE HZ . . 4.690 4.214 3.907 4.722 0.032 9 0 "[ . 1 . 2]" 1
789 1 28 SER HB2 1 31 ASP H . . 4.480 3.070 2.549 3.985 . 0 0 "[ . 1 . 2]" 1
790 1 29 TRP HA 1 32 LEU HB2 . . 3.620 3.225 3.069 3.381 . 0 0 "[ . 1 . 2]" 1
791 1 65 TYR HA 1 68 ARG H . . 4.030 3.785 3.716 3.843 . 0 0 "[ . 1 . 2]" 1
792 1 29 TRP HA 1 33 LYS H . . 4.370 3.729 3.615 3.890 . 0 0 "[ . 1 . 2]" 1
793 1 29 TRP QB 1 46 ASP H . . 3.940 3.704 3.297 3.955 0.015 10 0 "[ . 1 . 2]" 1
794 1 30 GLN HA 1 32 LEU H . . 4.840 4.504 4.215 4.819 . 0 0 "[ . 1 . 2]" 1
795 1 30 GLN HA 1 34 ASP H . . 4.610 4.192 3.953 4.400 . 0 0 "[ . 1 . 2]" 1
796 1 29 TRP QB 1 47 VAL H . . 4.310 3.039 2.572 3.323 . 0 0 "[ . 1 . 2]" 1
797 1 29 TRP HZ3 1 30 GLN HA . . 4.360 2.722 2.460 3.055 . 0 0 "[ . 1 . 2]" 1
798 1 30 GLN H 1 30 GLN HG2 . . 4.520 3.551 2.306 4.320 . 0 0 "[ . 1 . 2]" 1
799 1 30 GLN H 1 30 GLN HG3 . . 4.410 3.093 2.181 4.357 . 0 0 "[ . 1 . 2]" 1
800 1 29 TRP HH2 1 30 GLN HG3 . . 4.060 3.370 2.666 4.331 0.271 6 0 "[ . 1 . 2]" 1
801 1 31 ASP HA 1 34 ASP H . . 3.770 3.579 3.438 3.741 . 0 0 "[ . 1 . 2]" 1
802 1 31 ASP HB2 1 75 PHE QE . . 4.350 3.485 3.007 3.652 . 0 0 "[ . 1 . 2]" 1
803 1 31 ASP HB2 1 75 PHE HZ . . 3.810 2.907 2.161 3.238 . 0 0 "[ . 1 . 2]" 1
804 1 31 ASP H 1 31 ASP HB2 . . 3.800 2.058 2.003 2.247 . 0 0 "[ . 1 . 2]" 1
805 1 31 ASP HB2 1 32 LEU H . . 3.880 3.014 2.600 3.243 . 0 0 "[ . 1 . 2]" 1
806 1 28 SER H 1 31 ASP HB2 . . 3.800 3.552 2.878 3.908 0.108 15 0 "[ . 1 . 2]" 1
807 1 31 ASP H 1 31 ASP HB3 . . 4.010 3.297 3.091 3.499 . 0 0 "[ . 1 . 2]" 1
808 1 31 ASP HB3 1 32 LEU H . . 3.920 2.939 2.558 3.467 . 0 0 "[ . 1 . 2]" 1
809 1 28 SER H 1 31 ASP HB3 . . 4.150 4.103 3.790 4.187 0.037 19 0 "[ . 1 . 2]" 1
810 1 31 ASP HB3 1 75 PHE QE . . 3.770 1.999 1.988 2.040 . 0 0 "[ . 1 . 2]" 1
811 1 32 LEU HA 1 75 PHE QD . . 4.960 3.356 3.127 3.665 . 0 0 "[ . 1 . 2]" 1
812 1 32 LEU HA 1 75 PHE HZ . . 4.260 3.292 2.692 3.606 . 0 0 "[ . 1 . 2]" 1
813 1 32 LEU HA 1 36 MET H . . 4.620 3.993 3.760 4.289 . 0 0 "[ . 1 . 2]" 1
814 1 32 LEU HB2 1 33 LYS H . . 4.270 3.980 3.873 4.053 . 0 0 "[ . 1 . 2]" 1
815 1 32 LEU H 1 32 LEU HG . . 4.920 4.459 4.419 4.484 . 0 0 "[ . 1 . 2]" 1
816 1 32 LEU HG 1 33 LYS H . . 4.810 4.401 4.291 4.465 . 0 0 "[ . 1 . 2]" 1
817 1 32 LEU MD1 1 53 GLY HA2 . . 4.310 3.310 2.875 3.873 . 0 0 "[ . 1 . 2]" 1
818 1 32 LEU HA 1 32 LEU MD1 . . 4.560 3.776 3.707 3.827 . 0 0 "[ . 1 . 2]" 1
819 1 29 TRP HA 1 32 LEU MD1 . . 4.570 2.808 2.568 3.094 . 0 0 "[ . 1 . 2]" 1
820 1 20 VAL HB 1 32 LEU MD1 . . 4.130 3.069 2.780 3.351 . 0 0 "[ . 1 . 2]" 1
821 1 20 VAL H 1 32 LEU MD1 . . 5.480 4.936 4.621 5.231 . 0 0 "[ . 1 . 2]" 1
822 1 32 LEU MD1 1 53 GLY H . . 5.070 4.486 4.226 4.754 . 0 0 "[ . 1 . 2]" 1
823 1 33 LYS HA 1 36 MET HG3 . . 4.580 3.789 3.481 3.985 . 0 0 "[ . 1 . 2]" 1
824 1 33 LYS HA 1 36 MET H . . 3.940 3.044 2.842 3.234 . 0 0 "[ . 1 . 2]" 1
825 1 29 TRP HE3 1 33 LYS HB2 . . 4.630 3.011 2.642 3.299 . 0 0 "[ . 1 . 2]" 1
826 1 33 LYS HB2 1 42 VAL MG1 . . 4.660 3.883 3.723 4.182 . 0 0 "[ . 1 . 2]" 1
827 1 33 LYS HB3 1 34 ASP H . . 3.700 2.288 2.127 2.405 . 0 0 "[ . 1 . 2]" 1
828 1 29 TRP HE3 1 33 LYS HB3 . . 4.650 3.783 3.434 4.087 . 0 0 "[ . 1 . 2]" 1
829 1 33 LYS H 1 33 LYS QG . . 4.690 3.885 3.858 3.910 . 0 0 "[ . 1 . 2]" 1
830 1 33 LYS QG 1 34 ASP H . . 4.080 3.620 3.396 3.734 . 0 0 "[ . 1 . 2]" 1
831 1 33 LYS QD 1 42 VAL MG1 . . 4.160 2.642 1.950 3.724 . 0 0 "[ . 1 . 2]" 1
832 1 34 ASP HB2 1 35 HIS H . . 3.960 3.129 2.798 3.916 . 0 0 "[ . 1 . 2]" 1
833 1 34 ASP HB3 1 35 HIS HA . . 4.680 4.201 3.858 4.482 . 0 0 "[ . 1 . 2]" 1
834 1 32 LEU MD2 1 35 HIS HB3 . . 4.530 3.990 3.908 4.075 . 0 0 "[ . 1 . 2]" 1
835 1 32 LEU HA 1 35 HIS HB3 . . 4.120 2.813 2.545 3.060 . 0 0 "[ . 1 . 2]" 1
836 1 32 LEU HA 1 35 HIS HB2 . . 3.720 3.495 3.173 3.730 0.010 14 0 "[ . 1 . 2]" 1
837 1 35 HIS HB2 1 75 PHE QD . . 4.450 3.084 2.753 3.274 . 0 0 "[ . 1 . 2]" 1
838 1 32 LEU MD2 1 36 MET HB3 . . 4.220 3.647 3.478 3.874 . 0 0 "[ . 1 . 2]" 1
839 1 36 MET HB3 1 39 ALA MB . . 4.780 4.549 4.446 4.639 . 0 0 "[ . 1 . 2]" 1
840 1 36 MET H 1 36 MET HB3 . . 3.580 3.506 3.486 3.525 . 0 0 "[ . 1 . 2]" 1
841 1 36 MET HB3 1 37 ARG H . . 5.150 3.585 3.537 3.662 . 0 0 "[ . 1 . 2]" 1
842 1 32 LEU MD2 1 36 MET HB2 . . 4.200 2.651 2.451 2.975 . 0 0 "[ . 1 . 2]" 1
843 1 32 LEU HG 1 36 MET HG2 . . 4.350 2.753 2.432 3.100 . 0 0 "[ . 1 . 2]" 1
844 1 36 MET HG2 1 70 LEU MD1 . . 4.300 4.027 3.938 4.089 . 0 0 "[ . 1 . 2]" 1
845 1 36 MET HG2 1 55 VAL MG1 . . 3.590 3.582 3.467 3.637 0.047 20 0 "[ . 1 . 2]" 1
846 1 32 LEU HG 1 36 MET HG3 . . 4.090 3.467 3.165 3.826 . 0 0 "[ . 1 . 2]" 1
847 1 37 ARG HA 1 39 ALA MB . . 5.440 4.027 3.943 4.115 . 0 0 "[ . 1 . 2]" 1
848 1 37 ARG HA 1 57 TYR QE . . 4.260 2.868 2.602 3.091 . 0 0 "[ . 1 . 2]" 1
849 1 37 ARG HA 1 57 TYR HH . . 4.650 3.593 3.148 3.781 . 0 0 "[ . 1 . 2]" 1
850 1 37 ARG HB3 1 37 ARG QD . . 3.870 2.433 2.271 2.606 . 0 0 "[ . 1 . 2]" 1
851 1 34 ASP HA 1 37 ARG HB3 . . 4.330 4.353 4.004 4.410 0.080 9 0 "[ . 1 . 2]" 1
852 1 37 ARG HB3 1 38 GLU H . . 4.600 4.068 3.993 4.096 . 0 0 "[ . 1 . 2]" 1
853 1 37 ARG HB2 1 38 GLU H . . 4.660 3.006 2.955 3.039 . 0 0 "[ . 1 . 2]" 1
854 1 34 ASP HA 1 37 ARG HB2 . . 4.840 3.270 2.839 3.362 . 0 0 "[ . 1 . 2]" 1
855 1 37 ARG HB2 1 37 ARG QD . . 3.720 3.393 2.654 3.476 . 0 0 "[ . 1 . 2]" 1
856 1 37 ARG HG2 1 38 GLU H . . 4.950 4.500 4.433 4.824 . 0 0 "[ . 1 . 2]" 1
857 1 37 ARG HG2 1 42 VAL MG2 . . 4.310 1.987 1.781 2.141 . 0 0 "[ . 1 . 2]" 1
858 1 37 ARG HG3 1 42 VAL MG2 . . 4.420 3.406 3.133 3.529 . 0 0 "[ . 1 . 2]" 1
859 1 34 ASP HA 1 37 ARG QD . . 3.890 3.573 2.478 3.760 . 0 0 "[ . 1 . 2]" 1
860 1 37 ARG QD 1 42 VAL MG2 . . 4.700 2.104 1.927 3.518 . 0 0 "[ . 1 . 2]" 1
861 1 37 ARG HA 1 37 ARG QD . . 4.310 3.183 2.985 4.052 . 0 0 "[ . 1 . 2]" 1
862 1 38 GLU QG 1 70 LEU MD2 . . 4.330 2.432 2.354 2.621 . 0 0 "[ . 1 . 2]" 1
863 1 38 GLU QG 1 65 TYR QE . . 4.700 4.332 3.968 4.531 . 0 0 "[ . 1 . 2]" 1
864 1 38 GLU HB2 1 39 ALA HA . . 4.820 4.951 4.929 4.991 0.171 10 0 "[ . 1 . 2]" 1
865 1 39 ALA HA 1 65 TYR HB3 . . 4.580 3.555 3.432 3.659 . 0 0 "[ . 1 . 2]" 1
866 1 39 ALA MB 1 70 LEU MD2 . . 4.770 4.602 4.479 4.659 . 0 0 "[ . 1 . 2]" 1
867 1 39 ALA MB 1 42 VAL MG2 . . 5.110 4.056 3.810 4.265 . 0 0 "[ . 1 . 2]" 1
868 1 36 MET ME 1 39 ALA MB . . 3.870 3.393 3.212 3.490 . 0 0 "[ . 1 . 2]" 1
869 1 39 ALA MB 1 62 ASP QB . . 4.070 2.072 1.853 3.348 . 0 0 "[ . 1 . 2]" 1
870 1 39 ALA MB 1 62 ASP HA . . 4.690 2.763 2.242 3.304 . 0 0 "[ . 1 . 2]" 1
871 1 39 ALA MB 1 65 TYR QE . . 4.020 3.903 3.770 4.034 0.014 7 0 "[ . 1 . 2]" 1
872 1 39 ALA MB 1 65 TYR H . . 4.340 4.375 4.341 4.490 0.150 19 0 "[ . 1 . 2]" 1
873 1 40 GLY HA2 1 41 ASP QB . . 4.710 4.578 4.511 4.652 . 0 0 "[ . 1 . 2]" 1
874 1 40 GLY HA2 1 62 ASP QB . . 5.090 4.747 4.149 4.920 . 0 0 "[ . 1 . 2]" 1
875 1 41 ASP QB 1 58 LEU HG . . 4.320 3.832 3.166 4.332 0.012 6 0 "[ . 1 . 2]" 1
876 1 42 VAL HA 1 57 TYR QD . . 4.520 3.374 2.797 3.961 . 0 0 "[ . 1 . 2]" 1
877 1 42 VAL HA 1 44 TYR H . . 4.170 3.542 3.394 3.751 . 0 0 "[ . 1 . 2]" 1
878 1 42 VAL H 1 42 VAL MG1 . . 4.040 3.784 3.698 3.842 . 0 0 "[ . 1 . 2]" 1
879 1 33 LYS QE 1 42 VAL MG1 . . 4.270 3.047 1.945 3.938 . 0 0 "[ . 1 . 2]" 1
880 1 40 GLY H 1 42 VAL MG2 . . 4.260 3.810 3.538 4.076 . 0 0 "[ . 1 . 2]" 1
881 1 33 LYS HA 1 42 VAL MG2 . . 4.120 3.370 3.173 3.682 . 0 0 "[ . 1 . 2]" 1
882 1 41 ASP HA 1 42 VAL MG2 . . 5.280 3.367 3.242 3.744 . 0 0 "[ . 1 . 2]" 1
883 1 36 MET HA 1 55 VAL MG2 . . 4.340 4.326 4.257 4.381 0.041 7 0 "[ . 1 . 2]" 1
884 1 33 LYS QG 1 42 VAL MG2 . . 2.900 2.238 1.949 2.566 . 0 0 "[ . 1 . 2]" 1
885 1 43 CYS HB3 1 58 LEU HG . . 4.500 3.827 2.518 4.533 0.033 3 0 "[ . 1 . 2]" 1
886 1 43 CYS HB3 1 44 TYR H . . 4.540 3.277 2.932 4.235 . 0 0 "[ . 1 . 2]" 1
887 1 43 CYS H 1 43 CYS HB3 . . 4.020 2.453 2.301 2.882 . 0 0 "[ . 1 . 2]" 1
888 1 43 CYS HB2 1 44 TYR H . . 4.630 4.188 4.075 4.330 . 0 0 "[ . 1 . 2]" 1
889 1 43 CYS H 1 43 CYS HB2 . . 4.060 3.057 2.707 3.634 . 0 0 "[ . 1 . 2]" 1
890 1 44 TYR H 1 44 TYR HB2 . . 3.980 2.932 2.619 3.245 . 0 0 "[ . 1 . 2]" 1
891 1 44 TYR HB2 1 56 GLU H . . 4.490 3.926 3.418 4.494 0.004 16 0 "[ . 1 . 2]" 1
892 1 44 TYR HB3 1 56 GLU HB2 . . 3.790 2.016 1.980 2.206 . 0 0 "[ . 1 . 2]" 1
893 1 44 TYR HB3 1 56 GLU HB3 . . 3.770 3.438 2.681 3.734 . 0 0 "[ . 1 . 2]" 1
894 1 44 TYR H 1 44 TYR HB3 . . 4.030 2.624 2.504 2.760 . 0 0 "[ . 1 . 2]" 1
895 1 45 ALA HA 1 55 VAL MG1 . . 3.970 2.153 1.917 2.406 . 0 0 "[ . 1 . 2]" 1
896 1 42 VAL MG1 1 45 ALA HA . . 4.020 3.393 3.228 3.577 . 0 0 "[ . 1 . 2]" 1
897 1 33 LYS HA 1 45 ALA MB . . 4.080 3.506 3.023 3.954 . 0 0 "[ . 1 . 2]" 1
898 1 29 TRP HA 1 45 ALA MB . . 4.720 4.197 3.835 4.500 . 0 0 "[ . 1 . 2]" 1
899 1 45 ALA MB 1 46 ASP HA . . 4.730 4.046 3.892 4.103 . 0 0 "[ . 1 . 2]" 1
900 1 44 TYR HA 1 45 ALA MB . . 5.500 3.868 3.751 3.934 . 0 0 "[ . 1 . 2]" 1
901 1 46 ASP QB 1 54 MET QB . . 4.230 2.783 2.376 3.582 . 0 0 "[ . 1 . 2]" 1
902 1 44 TYR QE 1 46 ASP QB . . 3.310 2.384 2.057 2.865 . 0 0 "[ . 1 . 2]" 1
903 1 46 ASP H 1 46 ASP QB . . 3.810 2.627 2.522 2.776 . 0 0 "[ . 1 . 2]" 1
904 1 46 ASP QB 1 54 MET H . . 3.910 3.788 3.729 3.857 . 0 0 "[ . 1 . 2]" 1
905 1 47 VAL HB 1 48 GLN H . . 4.130 3.983 2.802 4.181 0.051 10 0 "[ . 1 . 2]" 1
906 1 29 TRP H 1 47 VAL HB . . 4.990 3.957 3.402 4.721 . 0 0 "[ . 1 . 2]" 1
907 1 48 GLN HB3 1 49 LYS H . . 4.030 2.644 2.300 3.710 . 0 0 "[ . 1 . 2]" 1
908 1 48 GLN HG2 1 49 LYS H . . 4.410 4.050 3.571 4.706 0.296 19 0 "[ . 1 . 2]" 1
909 1 48 GLN H 1 48 GLN HG2 . . 4.060 3.462 2.103 3.982 . 0 0 "[ . 1 . 2]" 1
910 1 49 LYS QB 1 50 ASP QB . . 4.190 3.761 3.299 4.059 . 0 0 "[ . 1 . 2]" 1
911 1 59 ARG HB2 1 61 GLU H . . 5.500 4.433 3.900 4.911 . 0 0 "[ . 1 . 2]" 1
912 1 49 LYS QG 1 50 ASP H . . 4.700 2.878 1.942 3.685 . 0 0 "[ . 1 . 2]" 1
913 1 49 LYS H 1 49 LYS QG . . 4.250 2.821 2.086 3.986 . 0 0 "[ . 1 . 2]" 1
914 1 49 LYS HA 1 49 LYS QG . . 3.880 2.959 1.984 3.369 . 0 0 "[ . 1 . 2]" 1
915 1 49 LYS QG 1 50 ASP QB . . 4.440 3.187 2.524 4.415 . 0 0 "[ . 1 . 2]" 1
916 1 49 LYS QD 1 50 ASP H . . 5.170 4.095 2.526 4.931 . 0 0 "[ . 1 . 2]" 1
917 1 49 LYS HA 1 49 LYS QD . . 4.390 3.760 2.102 4.268 . 0 0 "[ . 1 . 2]" 1
918 1 50 ASP H 1 50 ASP QB . . 3.870 3.088 3.048 3.146 . 0 0 "[ . 1 . 2]" 1
919 1 23 LEU QD 1 51 GLY HA2 . . 5.040 3.369 3.065 3.575 . 0 0 "[ . 1 . 2]" 1
920 1 23 LEU HB3 1 51 GLY HA2 . . 4.280 3.180 3.073 3.334 . 0 0 "[ . 1 . 2]" 1
921 1 23 LEU HB2 1 51 GLY HA2 . . 3.950 2.043 1.960 2.256 . 0 0 "[ . 1 . 2]" 1
922 1 23 LEU H 1 51 GLY HA2 . . 4.110 2.906 2.633 3.602 . 0 0 "[ . 1 . 2]" 1
923 1 23 LEU HB3 1 51 GLY HA3 . . 4.050 4.303 4.243 4.376 0.326 7 0 "[ . 1 . 2]" 1
924 1 23 LEU QD 1 51 GLY HA3 . . 5.080 4.085 3.846 4.321 . 0 0 "[ . 1 . 2]" 1
925 1 23 LEU QD 1 52 MET HA . . 4.550 2.747 2.270 3.296 . 0 0 "[ . 1 . 2]" 1
926 1 20 VAL MG1 1 52 MET HA . . 4.600 3.815 3.345 4.165 . 0 0 "[ . 1 . 2]" 1
927 1 52 MET HA 1 52 MET HG2 . . 3.900 2.315 2.062 3.317 . 0 0 "[ . 1 . 2]" 1
928 1 52 MET HA 1 52 MET HG3 . . 4.000 3.160 2.157 3.759 . 0 0 "[ . 1 . 2]" 1
929 1 21 SER QB 1 52 MET HA . . 4.920 3.705 3.203 4.206 . 0 0 "[ . 1 . 2]" 1
930 1 52 MET HA 1 53 GLY HA2 . . 5.050 4.535 4.453 4.588 . 0 0 "[ . 1 . 2]" 1
931 1 22 GLY H 1 52 MET HA . . 4.500 3.409 3.114 3.629 . 0 0 "[ . 1 . 2]" 1
932 1 23 LEU H 1 52 MET HA . . 4.690 3.945 3.633 4.445 . 0 0 "[ . 1 . 2]" 1
933 1 52 MET HG3 1 53 GLY H . . 4.850 4.759 3.935 5.194 0.344 19 0 "[ . 1 . 2]" 1
934 1 21 SER HA 1 52 MET HG2 . . 4.240 2.946 2.449 4.277 0.037 5 0 "[ . 1 . 2]" 1
935 1 21 SER HA 1 52 MET HG3 . . 4.420 4.114 2.728 4.457 0.037 20 0 "[ . 1 . 2]" 1
936 1 52 MET HG2 1 53 GLY H . . 5.240 3.851 3.575 4.594 . 0 0 "[ . 1 . 2]" 1
937 1 20 VAL MG1 1 53 GLY HA3 . . 3.500 3.044 2.548 3.427 . 0 0 "[ . 1 . 2]" 1
938 1 47 VAL HA 1 53 GLY HA3 . . 3.900 3.419 3.082 3.604 . 0 0 "[ . 1 . 2]" 1
939 1 54 MET HA 1 55 VAL MG2 . . 4.270 3.141 2.979 3.310 . 0 0 "[ . 1 . 2]" 1
940 1 17 ARG QD 1 54 MET QB . . 4.730 4.266 3.948 4.745 0.015 20 0 "[ . 1 . 2]" 1
941 1 20 VAL H 1 54 MET QB . . 4.740 4.473 4.294 4.642 . 0 0 "[ . 1 . 2]" 1
942 1 18 VAL H 1 54 MET QG . . 4.740 3.784 3.484 4.116 . 0 0 "[ . 1 . 2]" 1
943 1 44 TYR QE 1 54 MET QG . . 4.440 4.358 4.189 4.463 0.023 10 0 "[ . 1 . 2]" 1
944 1 54 MET QG 1 55 VAL HA . . 4.320 4.129 3.836 4.359 0.039 20 0 "[ . 1 . 2]" 1
945 1 19 LEU HA 1 54 MET QG . . 4.350 3.561 3.158 3.973 . 0 0 "[ . 1 . 2]" 1
946 1 17 ARG HG3 1 54 MET QG . . 4.650 4.154 3.256 4.692 0.042 10 0 "[ . 1 . 2]" 1
947 1 45 ALA MB 1 55 VAL HA . . 4.740 3.819 3.448 4.121 . 0 0 "[ . 1 . 2]" 1
948 1 55 VAL HB 1 57 TYR QE . . 5.260 4.227 3.930 4.356 . 0 0 "[ . 1 . 2]" 1
949 1 55 VAL H 1 55 VAL HB . . 3.890 3.528 3.449 3.617 . 0 0 "[ . 1 . 2]" 1
950 1 18 VAL H 1 55 VAL HB . . 5.500 4.254 3.988 4.536 . 0 0 "[ . 1 . 2]" 1
951 1 42 VAL MG1 1 57 TYR QD . . 4.830 4.296 4.030 4.515 . 0 0 "[ . 1 . 2]" 1
952 1 42 VAL MG1 1 57 TYR QE . . 4.220 4.102 3.721 4.237 0.017 12 0 "[ . 1 . 2]" 1
953 1 56 GLU HA 1 56 GLU HG2 . . 3.680 2.318 2.027 2.684 . 0 0 "[ . 1 . 2]" 1
954 1 56 GLU H 1 56 GLU HG3 . . 4.050 3.335 2.470 4.069 0.019 17 0 "[ . 1 . 2]" 1
955 1 17 ARG HA 1 56 GLU HG2 . . 4.510 3.447 2.954 3.894 . 0 0 "[ . 1 . 2]" 1
956 1 34 ASP HA 1 37 ARG HG2 . . 3.590 3.607 3.539 3.643 0.053 3 0 "[ . 1 . 2]" 1
957 1 57 TYR HA 1 58 LEU QB . . 4.860 4.478 4.399 4.592 . 0 0 "[ . 1 . 2]" 1
958 1 43 CYS HB2 1 58 LEU HG . . 3.620 3.255 2.264 4.505 0.885 17 4 "[* .* - . + 2]" 1
959 1 58 LEU H 1 58 LEU HG . . 3.940 3.486 2.561 3.962 0.022 18 0 "[ . 1 . 2]" 1
960 1 69 LYS H 1 69 LYS HG2 . . 3.960 3.943 3.830 4.080 0.120 17 0 "[ . 1 . 2]" 1
961 1 69 LYS QE 1 69 LYS HG2 . . 3.870 2.608 2.267 3.211 . 0 0 "[ . 1 . 2]" 1
962 1 57 TYR HB3 1 58 LEU H . . 4.210 2.802 2.264 3.176 . 0 0 "[ . 1 . 2]" 1
963 1 57 TYR HB3 1 59 ARG H . . 3.910 2.247 2.066 2.685 . 0 0 "[ . 1 . 2]" 1
964 1 57 TYR H 1 57 TYR HB3 . . 3.880 3.507 3.401 3.637 . 0 0 "[ . 1 . 2]" 1
965 1 57 TYR HB3 1 63 MET HB2 . . 4.570 3.989 3.648 4.439 . 0 0 "[ . 1 . 2]" 1
966 1 59 ARG H 1 59 ARG HB2 . . 4.050 2.686 2.554 2.840 . 0 0 "[ . 1 . 2]" 1
967 1 59 ARG HB2 1 62 ASP H . . 3.950 2.724 2.393 3.078 . 0 0 "[ . 1 . 2]" 1
968 1 74 LYS HB2 1 74 LYS QE . . 4.430 3.722 2.950 3.990 . 0 0 "[ . 1 . 2]" 1
969 1 60 LYS HA 1 63 MET HB2 . . 4.130 3.057 2.648 3.363 . 0 0 "[ . 1 . 2]" 1
970 1 60 LYS HA 1 60 LYS HD3 . . 4.800 4.595 4.542 4.692 . 0 0 "[ . 1 . 2]" 1
971 1 16 PHE HB3 1 60 LYS HA . . 4.090 2.644 2.452 2.968 . 0 0 "[ . 1 . 2]" 1
972 1 16 PHE HB2 1 60 LYS HA . . 4.440 3.310 3.000 3.658 . 0 0 "[ . 1 . 2]" 1
973 1 59 ARG HA 1 60 LYS HA . . 4.950 4.347 4.330 4.402 . 0 0 "[ . 1 . 2]" 1
974 1 60 LYS HA 1 63 MET H . . 4.050 3.427 3.228 3.579 . 0 0 "[ . 1 . 2]" 1
975 1 16 PHE QD 1 60 LYS HA . . 4.110 2.960 2.562 3.208 . 0 0 "[ . 1 . 2]" 1
976 1 16 PHE QE 1 60 LYS HA . . 4.480 3.952 3.683 4.196 . 0 0 "[ . 1 . 2]" 1
977 1 16 PHE QE 1 60 LYS HB3 . . 4.530 4.201 3.800 4.543 0.013 3 0 "[ . 1 . 2]" 1
978 1 16 PHE QE 1 60 LYS HB2 . . 3.940 2.782 2.162 3.156 . 0 0 "[ . 1 . 2]" 1
979 1 60 LYS HB2 1 60 LYS HD3 . . 3.690 3.065 2.994 3.164 . 0 0 "[ . 1 . 2]" 1
980 1 73 THR H 1 85 ILE HG12 . . 4.420 3.923 3.498 4.202 . 0 0 "[ . 1 . 2]" 1
981 1 16 PHE QE 1 60 LYS HG2 . . 4.720 4.446 3.771 4.697 . 0 0 "[ . 1 . 2]" 1
982 1 60 LYS HG3 1 61 GLU H . . 4.820 4.739 4.601 4.852 0.032 8 0 "[ . 1 . 2]" 1
983 1 60 LYS H 1 60 LYS HG3 . . 4.340 4.424 4.382 4.572 0.232 3 0 "[ . 1 . 2]" 1
984 1 16 PHE QE 1 60 LYS HG3 . . 4.720 2.938 2.197 3.432 . 0 0 "[ . 1 . 2]" 1
985 1 16 PHE QD 1 60 LYS HG3 . . 4.770 2.775 2.056 3.617 . 0 0 "[ . 1 . 2]" 1
986 1 16 PHE QE 1 60 LYS HD2 . . 4.180 3.006 2.171 3.593 . 0 0 "[ . 1 . 2]" 1
987 1 74 LYS H 1 74 LYS QD . . 4.680 4.550 4.464 4.635 . 0 0 "[ . 1 . 2]" 1
988 1 61 GLU HA 1 64 GLU H . . 4.060 3.502 3.355 3.608 . 0 0 "[ . 1 . 2]" 1
989 1 61 GLU HA 1 65 TYR H . . 5.090 3.711 3.559 4.038 . 0 0 "[ . 1 . 2]" 1
990 1 61 GLU HA 1 64 GLU HG3 . . 3.750 3.522 3.337 3.726 . 0 0 "[ . 1 . 2]" 1
991 1 61 GLU QB 1 62 ASP H . . 4.140 2.554 2.428 2.811 . 0 0 "[ . 1 . 2]" 1
992 1 61 GLU H 1 61 GLU HG2 . . 4.100 3.643 2.354 4.058 . 0 0 "[ . 1 . 2]" 1
993 1 61 GLU HG2 1 62 ASP H . . 5.290 4.900 4.609 5.086 . 0 0 "[ . 1 . 2]" 1
994 1 69 LYS HA 1 69 LYS HG2 . . 3.900 3.489 3.369 3.545 . 0 0 "[ . 1 . 2]" 1
995 1 62 ASP HA 1 65 TYR HB2 . . 3.620 3.074 2.831 3.230 . 0 0 "[ . 1 . 2]" 1
996 1 62 ASP HA 1 65 TYR HB3 . . 3.560 2.329 2.109 2.685 . 0 0 "[ . 1 . 2]" 1
997 1 57 TYR HB3 1 62 ASP QB . . 4.180 2.397 2.072 3.045 . 0 0 "[ . 1 . 2]" 1
998 1 40 GLY HA3 1 62 ASP QB . . 4.030 3.495 2.839 3.738 . 0 0 "[ . 1 . 2]" 1
999 1 57 TYR QD 1 62 ASP QB . . 4.170 2.957 2.536 3.600 . 0 0 "[ . 1 . 2]" 1
1000 1 59 ARG HB2 1 62 ASP QB . . 4.610 2.496 1.984 3.170 . 0 0 "[ . 1 . 2]" 1
1001 1 63 MET HA 1 63 MET HG2 . . 3.630 2.798 2.201 3.063 . 0 0 "[ . 1 . 2]" 1
1002 1 57 TYR QE 1 63 MET HA . . 4.120 2.695 2.397 3.242 . 0 0 "[ . 1 . 2]" 1
1003 1 63 MET HA 1 65 TYR H . . 4.640 4.580 4.334 4.669 0.029 7 0 "[ . 1 . 2]" 1
1004 1 63 MET HA 1 66 ALA H . . 4.280 4.007 3.812 4.080 . 0 0 "[ . 1 . 2]" 1
1005 1 81 GLU HB3 1 82 THR H . . 3.880 3.105 2.443 4.319 0.439 17 0 "[ . 1 . 2]" 1
1006 1 63 MET H 1 63 MET HG2 . . 4.740 4.412 4.217 4.485 . 0 0 "[ . 1 . 2]" 1
1007 1 63 MET HG2 1 64 GLU H . . 5.020 3.734 3.272 4.412 . 0 0 "[ . 1 . 2]" 1
1008 1 64 GLU HA 1 67 LEU HB2 . . 4.100 1.978 1.961 2.016 . 0 0 "[ . 1 . 2]" 1
1009 1 64 GLU HA 1 68 ARG H . . 5.220 3.862 3.813 3.919 . 0 0 "[ . 1 . 2]" 1
1010 1 60 LYS HG2 1 64 GLU HG3 . . 4.230 2.965 2.792 3.342 . 0 0 "[ . 1 . 2]" 1
1011 1 60 LYS HG3 1 64 GLU HG3 . . 4.180 4.188 4.115 4.201 0.021 17 0 "[ . 1 . 2]" 1
1012 1 60 LYS QE 1 64 GLU HG3 . . 4.770 3.366 2.922 3.812 . 0 0 "[ . 1 . 2]" 1
1013 1 64 GLU HG2 1 65 TYR H . . 5.050 4.804 4.724 4.934 . 0 0 "[ . 1 . 2]" 1
1014 1 66 ALA HA 1 70 LEU MD2 . . 3.860 3.400 3.282 3.449 . 0 0 "[ . 1 . 2]" 1
1015 1 66 ALA HA 1 69 LYS H . . 4.530 3.968 3.930 4.018 . 0 0 "[ . 1 . 2]" 1
1016 1 57 TYR QD 1 66 ALA MB . . 4.130 4.109 4.011 4.200 0.070 19 0 "[ . 1 . 2]" 1
1017 1 65 TYR QD 1 66 ALA MB . . 4.200 2.719 2.669 2.752 . 0 0 "[ . 1 . 2]" 1
1018 1 39 ALA H 1 66 ALA MB . . 4.970 2.643 2.516 2.844 . 0 0 "[ . 1 . 2]" 1
1019 1 66 ALA H 1 67 LEU HA . . 5.020 5.214 5.185 5.251 0.231 19 0 "[ . 1 . 2]" 1
1020 1 67 LEU HB2 1 68 ARG H . . 4.120 2.567 2.511 2.613 . 0 0 "[ . 1 . 2]" 1
1021 1 67 LEU MD1 1 68 ARG H . . 4.620 4.417 4.339 4.486 . 0 0 "[ . 1 . 2]" 1
1022 1 67 LEU H 1 67 LEU MD2 . . 3.960 3.761 3.681 3.861 . 0 0 "[ . 1 . 2]" 1
1023 1 68 ARG H 1 68 ARG QD . . 4.780 3.447 3.049 4.177 . 0 0 "[ . 1 . 2]" 1
1024 1 69 LYS HB3 1 69 LYS QE . . 4.710 4.263 3.864 4.561 . 0 0 "[ . 1 . 2]" 1
1025 1 69 LYS HB3 1 70 LEU HG . . 3.810 3.581 3.498 3.644 . 0 0 "[ . 1 . 2]" 1
1026 1 66 ALA HA 1 69 LYS HB3 . . 4.920 3.580 3.499 3.663 . 0 0 "[ . 1 . 2]" 1
1027 1 65 TYR QE 1 69 LYS HB3 . . 4.630 3.811 3.734 3.927 . 0 0 "[ . 1 . 2]" 1
1028 1 65 TYR QD 1 69 LYS HB3 . . 5.260 4.473 4.411 4.576 . 0 0 "[ . 1 . 2]" 1
1029 1 68 ARG H 1 69 LYS HB2 . . 4.920 4.434 4.399 4.457 . 0 0 "[ . 1 . 2]" 1
1030 1 65 TYR QE 1 69 LYS HB2 . . 4.340 3.712 3.619 3.796 . 0 0 "[ . 1 . 2]" 1
1031 1 66 ALA HA 1 69 LYS HB2 . . 5.120 2.528 2.472 2.591 . 0 0 "[ . 1 . 2]" 1
1032 1 69 LYS HB2 1 70 LEU HG . . 3.920 3.370 3.299 3.487 . 0 0 "[ . 1 . 2]" 1
1033 1 68 ARG QB 1 69 LYS HB2 . . 4.230 4.095 4.024 4.157 . 0 0 "[ . 1 . 2]" 1
1034 1 69 LYS H 1 69 LYS HG3 . . 4.290 3.557 3.381 3.657 . 0 0 "[ . 1 . 2]" 1
1035 1 69 LYS HA 1 69 LYS HG3 . . 3.900 2.191 2.047 2.295 . 0 0 "[ . 1 . 2]" 1
1036 1 66 ALA HA 1 70 LEU HB2 . . 4.110 4.086 4.019 4.121 0.011 7 0 "[ . 1 . 2]" 1
1037 1 70 LEU HB2 1 71 ASP H . . 4.850 2.252 2.206 2.516 . 0 0 "[ . 1 . 2]" 1
1038 1 35 HIS HD2 1 70 LEU MD1 . . 4.110 2.844 2.675 2.994 . 0 0 "[ . 1 . 2]" 1
1039 1 65 TYR QE 1 70 LEU MD1 . . 4.960 5.005 4.982 5.023 0.063 17 0 "[ . 1 . 2]" 1
1040 1 67 LEU H 1 70 LEU MD1 . . 5.500 4.253 4.158 4.438 . 0 0 "[ . 1 . 2]" 1
1041 1 36 MET HB3 1 70 LEU MD1 . . 4.140 3.733 3.691 3.809 . 0 0 "[ . 1 . 2]" 1
1042 1 38 GLU QG 1 70 LEU MD1 . . 4.490 4.221 4.156 4.314 . 0 0 "[ . 1 . 2]" 1
1043 1 38 GLU H 1 70 LEU MD2 . . 4.240 3.932 3.862 4.127 . 0 0 "[ . 1 . 2]" 1
1044 1 71 ASP HB2 1 87 VAL H . . 4.790 4.826 4.795 4.849 0.059 12 0 "[ . 1 . 2]" 1
1045 1 71 ASP HB2 1 87 VAL QG . . 4.260 4.212 4.111 4.278 0.018 6 0 "[ . 1 . 2]" 1
1046 1 72 ASP H 1 72 ASP HB3 . . 4.160 3.757 3.484 4.005 . 0 0 "[ . 1 . 2]" 1
1047 1 71 ASP H 1 73 THR MG . . 4.810 3.985 3.788 4.528 . 0 0 "[ . 1 . 2]" 1
1048 1 70 LEU HB2 1 73 THR MG . . 4.240 3.430 3.186 4.257 0.017 8 0 "[ . 1 . 2]" 1
1049 1 74 LYS HA 1 74 LYS QD . . 3.970 3.915 3.848 3.994 0.024 13 0 "[ . 1 . 2]" 1
1050 1 74 LYS HA 1 74 LYS HG2 . . 3.820 3.248 3.068 3.404 . 0 0 "[ . 1 . 2]" 1
1051 1 74 LYS HA 1 84 TYR QD . . 4.460 2.621 2.333 2.996 . 0 0 "[ . 1 . 2]" 1
1052 1 74 LYS HA 1 83 SER H . . 4.710 3.929 3.661 4.194 . 0 0 "[ . 1 . 2]" 1
1053 1 74 LYS HB3 1 75 PHE H . . 4.930 4.576 4.529 4.635 . 0 0 "[ . 1 . 2]" 1
1054 1 74 LYS HG3 1 75 PHE H . . 4.330 3.650 3.435 3.833 . 0 0 "[ . 1 . 2]" 1
1055 1 74 LYS HG3 1 83 SER H . . 5.450 3.437 3.112 3.903 . 0 0 "[ . 1 . 2]" 1
1056 1 74 LYS H 1 74 LYS HG3 . . 4.980 4.532 4.493 4.568 . 0 0 "[ . 1 . 2]" 1
1057 1 74 LYS HG2 1 82 THR HB . . 4.010 2.859 2.259 3.695 . 0 0 "[ . 1 . 2]" 1
1058 1 74 LYS HG3 1 82 THR HB . . 3.910 2.433 2.086 2.889 . 0 0 "[ . 1 . 2]" 1
1059 1 74 LYS HG2 1 75 PHE H . . 4.430 4.017 3.852 4.153 . 0 0 "[ . 1 . 2]" 1
1060 1 75 PHE HB2 1 85 ILE H . . 4.660 4.122 3.864 4.414 . 0 0 "[ . 1 . 2]" 1
1061 1 75 PHE H 1 75 PHE HB3 . . 3.540 2.227 2.165 2.270 . 0 0 "[ . 1 . 2]" 1
1062 1 75 PHE HB3 1 83 SER H . . 4.510 3.393 3.036 3.611 . 0 0 "[ . 1 . 2]" 1
1063 1 74 LYS HA 1 75 PHE HB3 . . 4.410 4.423 4.364 4.469 0.059 12 0 "[ . 1 . 2]" 1
1064 1 23 LEU QD 1 75 PHE HB3 . . 5.500 3.470 3.094 3.773 . 0 0 "[ . 1 . 2]" 1
1065 1 76 ARG HB2 1 77 SER H . . 5.240 4.503 4.429 4.564 . 0 0 "[ . 1 . 2]" 1
1066 1 76 ARG H 1 76 ARG HB3 . . 3.860 2.599 2.495 2.746 . 0 0 "[ . 1 . 2]" 1
1067 1 76 ARG HA 1 76 ARG HG3 . . 3.890 2.382 2.242 2.525 . 0 0 "[ . 1 . 2]" 1
1068 1 76 ARG HG2 1 80 GLY H . . 4.310 3.554 3.339 3.740 . 0 0 "[ . 1 . 2]" 1
1069 1 59 ARG QG 1 61 GLU H . . 5.340 5.240 4.694 5.377 0.037 6 0 "[ . 1 . 2]" 1
1070 1 58 LEU QD 1 59 ARG QG . . 5.150 4.230 3.713 4.570 . 0 0 "[ . 1 . 2]" 1
1071 1 76 ARG H 1 76 ARG QD . . 4.950 4.599 4.422 4.927 . 0 0 "[ . 1 . 2]" 1
1072 1 76 ARG QD 1 80 GLY HA2 . . 4.130 3.429 2.787 3.845 . 0 0 "[ . 1 . 2]" 1
1073 1 77 SER HB2 1 78 HIS H . . 4.840 2.370 2.038 2.692 . 0 0 "[ . 1 . 2]" 1
1074 1 77 SER HB2 1 79 GLU H . . 4.940 2.736 2.270 2.995 . 0 0 "[ . 1 . 2]" 1
1075 1 77 SER HB3 1 78 HIS H . . 4.530 3.786 3.422 4.031 . 0 0 "[ . 1 . 2]" 1
1076 1 77 SER H 1 77 SER HB3 . . 3.850 2.481 2.239 2.866 . 0 0 "[ . 1 . 2]" 1
1077 1 77 SER HB3 1 79 GLU H . . 4.880 3.942 3.875 3.998 . 0 0 "[ . 1 . 2]" 1
1078 1 75 PHE QE 1 77 SER HB3 . . 4.160 3.935 3.405 4.171 0.011 19 0 "[ . 1 . 2]" 1
1079 1 24 PRO HG3 1 77 SER HB3 . . 4.180 2.735 2.241 3.500 . 0 0 "[ . 1 . 2]" 1
1080 1 78 HIS HA 1 80 GLY H . . 5.090 3.483 3.298 3.664 . 0 0 "[ . 1 . 2]" 1
1081 1 78 HIS H 1 78 HIS HB2 . . 3.860 3.398 2.822 3.572 . 0 0 "[ . 1 . 2]" 1
1082 1 78 HIS H 1 78 HIS HB3 . . 3.990 2.339 2.126 2.696 . 0 0 "[ . 1 . 2]" 1
1083 1 26 SER HB3 1 79 GLU HB3 . . 4.020 3.802 3.638 4.025 0.005 20 0 "[ . 1 . 2]" 1
1084 1 79 GLU H 1 79 GLU HG2 . . 4.300 3.362 3.016 3.598 . 0 0 "[ . 1 . 2]" 1
1085 1 79 GLU H 1 79 GLU HG3 . . 4.130 3.956 2.261 4.130 0.000 11 0 "[ . 1 . 2]" 1
1086 1 26 SER HB3 1 79 GLU HG3 . . 4.240 2.631 2.127 3.675 . 0 0 "[ . 1 . 2]" 1
1087 1 26 SER HB3 1 79 GLU HG2 . . 4.560 3.317 2.191 4.567 0.007 19 0 "[ . 1 . 2]" 1
1088 1 76 ARG HG2 1 80 GLY HA3 . . 4.540 4.489 4.340 4.555 0.015 9 0 "[ . 1 . 2]" 1
1089 1 76 ARG HG3 1 80 GLY HA3 . . 4.610 4.525 4.204 4.624 0.014 20 0 "[ . 1 . 2]" 1
1090 1 76 ARG QD 1 80 GLY HA3 . . 5.120 4.648 4.063 5.097 . 0 0 "[ . 1 . 2]" 1
1091 1 76 ARG HG2 1 80 GLY HA2 . . 4.150 2.801 2.657 2.919 . 0 0 "[ . 1 . 2]" 1
1092 1 76 ARG HG3 1 80 GLY HA2 . . 4.120 3.191 2.810 3.358 . 0 0 "[ . 1 . 2]" 1
1093 1 77 SER H 1 81 GLU HB2 . . 5.020 4.192 3.819 5.160 0.140 17 0 "[ . 1 . 2]" 1
1094 1 81 GLU H 1 81 GLU HG2 . . 4.150 3.786 3.127 4.138 . 0 0 "[ . 1 . 2]" 1
1095 1 24 PRO HG3 1 82 THR HA . . 4.740 3.796 3.216 4.105 . 0 0 "[ . 1 . 2]" 1
1096 1 75 PHE HB3 1 82 THR HA . . 5.360 4.781 4.335 4.932 . 0 0 "[ . 1 . 2]" 1
1097 1 82 THR HA 1 83 SER HB2 . . 5.200 4.541 4.147 5.576 0.376 5 0 "[ . 1 . 2]" 1
1098 1 75 PHE QD 1 82 THR HA . . 5.240 5.060 4.689 5.273 0.033 14 0 "[ . 1 . 2]" 1
1099 1 77 SER H 1 82 THR HA . . 4.360 3.106 2.865 3.561 . 0 0 "[ . 1 . 2]" 1
1100 1 75 PHE H 1 82 THR HA . . 5.230 4.781 4.576 4.952 . 0 0 "[ . 1 . 2]" 1
1101 1 74 LYS QD 1 82 THR HB . . 4.140 3.151 2.729 3.558 . 0 0 "[ . 1 . 2]" 1
1102 1 77 SER H 1 82 THR MG . . 4.720 3.633 3.385 4.088 . 0 0 "[ . 1 . 2]" 1
1103 1 75 PHE H 1 82 THR MG . . 5.260 5.204 5.056 5.280 0.020 15 0 "[ . 1 . 2]" 1
1104 1 76 ARG H 1 82 THR MG . . 4.890 4.165 3.850 4.511 . 0 0 "[ . 1 . 2]" 1
1105 1 81 GLU HA 1 82 THR MG . . 4.820 3.532 3.019 3.890 . 0 0 "[ . 1 . 2]" 1
1106 1 24 PRO HB3 1 83 SER HB3 . . 4.720 3.929 2.530 4.443 . 0 0 "[ . 1 . 2]" 1
1107 1 24 PRO HG3 1 83 SER HB3 . . 5.170 4.440 3.423 5.088 . 0 0 "[ . 1 . 2]" 1
1108 1 83 SER HB3 1 85 ILE MG . . 5.290 3.752 3.295 4.697 . 0 0 "[ . 1 . 2]" 1
1109 1 24 PRO HG3 1 83 SER HB2 . . 4.320 3.203 2.448 4.876 0.556 5 1 "[ + 1 . 2]" 1
1110 1 83 SER HB2 1 85 ILE MG . . 4.740 3.370 3.014 3.796 . 0 0 "[ . 1 . 2]" 1
1111 1 84 TYR HA 1 85 ILE HG12 . . 4.400 4.132 3.891 4.287 . 0 0 "[ . 1 . 2]" 1
1112 1 84 TYR HA 1 85 ILE HG13 . . 4.910 4.576 4.360 4.914 0.004 8 0 "[ . 1 . 2]" 1
1113 1 84 TYR HA 1 84 TYR QD . . 4.190 2.036 1.993 2.145 . 0 0 "[ . 1 . 2]" 1
1114 1 75 PHE H 1 84 TYR HA . . 4.130 3.387 3.140 3.759 . 0 0 "[ . 1 . 2]" 1
1115 1 50 ASP QB 1 51 GLY H . . 3.400 2.224 2.102 2.706 . 0 0 "[ . 1 . 2]" 1
1116 1 20 VAL MG1 1 85 ILE HA . . 4.970 3.759 3.488 4.270 . 0 0 "[ . 1 . 2]" 1
1117 1 21 SER H 1 85 ILE HB . . 4.720 3.369 3.141 3.636 . 0 0 "[ . 1 . 2]" 1
1118 1 85 ILE HG13 1 86 ARG HA . . 4.660 4.400 3.629 4.568 . 0 0 "[ . 1 . 2]" 1
1119 1 73 THR H 1 85 ILE HG13 . . 4.170 2.853 2.564 3.184 . 0 0 "[ . 1 . 2]" 1
1120 1 85 ILE HG13 1 86 ARG H . . 5.030 4.332 3.135 4.492 . 0 0 "[ . 1 . 2]" 1
1121 1 84 TYR HA 1 85 ILE MG . . 4.560 3.835 3.608 4.088 . 0 0 "[ . 1 . 2]" 1
1122 1 22 GLY HA3 1 85 ILE MG . . 4.510 3.215 2.517 3.717 . 0 0 "[ . 1 . 2]" 1
1123 1 24 PRO QD 1 85 ILE MG . . 4.070 2.889 2.735 3.143 . 0 0 "[ . 1 . 2]" 1
1124 1 75 PHE H 1 85 ILE MG . . 4.570 3.709 3.169 4.070 . 0 0 "[ . 1 . 2]" 1
1125 1 85 ILE MD 1 86 ARG H . . 4.640 4.586 3.476 4.701 0.061 20 0 "[ . 1 . 2]" 1
1126 1 85 ILE H 1 85 ILE MD . . 3.990 3.850 3.789 3.952 . 0 0 "[ . 1 . 2]" 1
1127 1 73 THR H 1 85 ILE MD . . 4.790 4.346 4.110 4.643 . 0 0 "[ . 1 . 2]" 1
1128 1 75 PHE QD 1 85 ILE MD . . 3.940 3.426 3.093 3.694 . 0 0 "[ . 1 . 2]" 1
1129 1 85 ILE MD 1 86 ARG HA . . 5.430 5.123 4.747 5.295 . 0 0 "[ . 1 . 2]" 1
1130 1 85 ILE HA 1 85 ILE MD . . 4.540 4.082 4.053 4.126 . 0 0 "[ . 1 . 2]" 1
1131 1 75 PHE HB3 1 85 ILE MD . . 4.610 3.511 3.126 3.829 . 0 0 "[ . 1 . 2]" 1
1132 1 86 ARG HA 1 87 VAL QG . . 4.230 3.105 3.037 3.232 . 0 0 "[ . 1 . 2]" 1
1133 1 86 ARG HA 1 86 ARG HD3 . . 3.620 3.112 2.337 3.623 0.003 16 0 "[ . 1 . 2]" 1
1134 1 86 ARG HA 1 86 ARG HD2 . . 3.660 3.175 2.589 3.645 . 0 0 "[ . 1 . 2]" 1
1135 1 71 ASP HA 1 86 ARG HA . . 4.130 4.040 3.895 4.148 0.018 16 0 "[ . 1 . 2]" 1
1136 1 86 ARG HB3 1 86 ARG HD3 . . 4.050 3.464 3.306 3.649 . 0 0 "[ . 1 . 2]" 1
1137 1 86 ARG HB3 1 87 VAL H . . 4.240 2.981 2.760 3.319 . 0 0 "[ . 1 . 2]" 1
1138 1 86 ARG HA 1 86 ARG HG3 . . 4.250 3.127 2.232 3.579 . 0 0 "[ . 1 . 2]" 1
1139 1 86 ARG H 1 86 ARG HG2 . . 4.590 3.883 3.297 4.493 . 0 0 "[ . 1 . 2]" 1
1140 1 86 ARG H 1 86 ARG HG3 . . 4.290 4.103 3.769 4.544 0.254 8 0 "[ . 1 . 2]" 1
1141 1 72 ASP H 1 86 ARG HD3 . . 4.560 3.888 2.833 4.496 . 0 0 "[ . 1 . 2]" 1
1142 1 72 ASP H 1 86 ARG HD2 . . 4.560 4.003 3.077 4.403 . 0 0 "[ . 1 . 2]" 1
1143 1 86 ARG HD2 1 87 VAL H . . 4.950 3.451 2.232 5.068 0.118 6 0 "[ . 1 . 2]" 1
1144 1 86 ARG HD3 1 87 VAL H . . 5.060 3.906 2.615 4.907 . 0 0 "[ . 1 . 2]" 1
1145 1 18 VAL HB 1 87 VAL HA . . 5.220 3.867 3.593 4.286 . 0 0 "[ . 1 . 2]" 1
1146 1 71 ASP H 1 87 VAL HB . . 4.450 2.581 2.434 2.776 . 0 0 "[ . 1 . 2]" 1
1147 1 87 VAL HB 1 88 TYR H . . 4.190 4.185 4.106 4.221 0.031 17 0 "[ . 1 . 2]" 1
1148 1 67 LEU HA 1 87 VAL HB . . 4.480 2.365 2.225 2.687 . 0 0 "[ . 1 . 2]" 1
1149 1 71 ASP HB2 1 87 VAL HB . . 4.120 4.124 3.956 4.188 0.068 9 0 "[ . 1 . 2]" 1
1150 1 87 VAL QG 1 88 TYR QD . . 4.050 4.080 4.020 4.183 0.133 9 0 "[ . 1 . 2]" 1
1151 1 71 ASP H 1 87 VAL QG . . 4.010 2.504 2.402 2.718 . 0 0 "[ . 1 . 2]" 1
1152 1 89 PRO HB3 1 90 GLU H . . 3.960 3.280 3.130 3.413 . 0 0 "[ . 1 . 2]" 1
1153 1 67 LEU MD2 1 89 PRO HB3 . . 4.040 3.550 3.292 3.684 . 0 0 "[ . 1 . 2]" 1
1154 1 67 LEU MD1 1 89 PRO HB2 . . 4.370 4.056 3.868 4.210 . 0 0 "[ . 1 . 2]" 1
1155 1 67 LEU MD2 1 89 PRO HB2 . . 4.740 4.642 4.470 4.754 0.014 4 0 "[ . 1 . 2]" 1
1156 1 88 TYR HA 1 89 PRO QG . . 3.990 3.958 3.934 3.992 0.002 16 0 "[ . 1 . 2]" 1
1157 1 89 PRO QG 1 90 GLU H . . 4.420 4.198 3.881 4.412 . 0 0 "[ . 1 . 2]" 1
1158 1 88 TYR HB2 1 89 PRO QG . . 4.070 4.079 3.967 4.161 0.091 9 0 "[ . 1 . 2]" 1
1159 1 88 TYR H 1 89 PRO QD . . 4.760 4.278 4.246 4.301 . 0 0 "[ . 1 . 2]" 1
1160 1 67 LEU MD1 1 89 PRO QD . . 3.790 2.933 2.415 3.201 . 0 0 "[ . 1 . 2]" 1
1161 1 19 LEU HG 1 90 GLU HB2 . . 4.890 3.280 2.301 4.180 . 0 0 "[ . 1 . 2]" 1
1162 1 90 GLU H 1 90 GLU QG . . 3.820 3.613 1.910 3.855 0.035 15 0 "[ . 1 . 2]" 1
1163 1 19 LEU HG 1 90 GLU QG . . 4.420 3.283 2.010 4.441 0.021 9 0 "[ . 1 . 2]" 1
1164 1 91 ARG H 1 91 ARG QG . . 4.290 3.586 2.039 4.270 . 0 0 "[ . 1 . 2]" 1
1165 1 44 TYR QD 1 45 ALA MB . . 4.880 4.478 4.122 4.797 . 0 0 "[ . 1 . 2]" 1
1166 1 44 TYR QD 1 54 MET ME . . 3.580 1.970 1.826 2.183 . 0 0 "[ . 1 . 2]" 1
1167 1 44 TYR QD 1 56 GLU HG3 . . 3.780 3.207 2.440 3.798 0.018 15 0 "[ . 1 . 2]" 1
1168 1 44 TYR HA 1 44 TYR QD . . 3.610 2.955 2.441 3.224 . 0 0 "[ . 1 . 2]" 1
1169 1 44 TYR QD 1 55 VAL HA . . 4.060 3.148 2.599 3.919 . 0 0 "[ . 1 . 2]" 1
1170 1 44 TYR QD 1 45 ALA H . . 4.050 3.173 2.948 3.409 . 0 0 "[ . 1 . 2]" 1
1171 1 44 TYR QD 1 56 GLU H . . 4.280 3.471 3.055 3.893 . 0 0 "[ . 1 . 2]" 1
1172 1 44 TYR QE 1 45 ALA H . . 5.300 4.307 3.920 4.540 . 0 0 "[ . 1 . 2]" 1
1173 1 44 TYR QE 1 46 ASP H . . 4.910 3.950 3.331 4.494 . 0 0 "[ . 1 . 2]" 1
1174 1 39 ALA MB 1 57 TYR QD . . 4.790 3.217 2.993 3.447 . 0 0 "[ . 1 . 2]" 1
1175 1 57 TYR QD 1 63 MET HB2 . . 4.160 2.936 2.561 3.540 . 0 0 "[ . 1 . 2]" 1
1176 1 57 TYR QD 1 63 MET HG3 . . 4.090 2.583 2.199 3.079 . 0 0 "[ . 1 . 2]" 1
1177 1 57 TYR HA 1 57 TYR QD . . 3.970 2.375 2.160 2.589 . 0 0 "[ . 1 . 2]" 1
1178 1 57 TYR QD 1 58 LEU H . . 4.420 3.387 3.231 3.532 . 0 0 "[ . 1 . 2]" 1
1179 1 65 TYR QD 1 69 LYS HB2 . . 4.370 3.413 3.333 3.536 . 0 0 "[ . 1 . 2]" 1
1180 1 39 ALA MB 1 65 TYR QD . . 3.090 2.380 2.200 2.657 . 0 0 "[ . 1 . 2]" 1
1181 1 65 TYR QD 1 70 LEU HG . . 4.310 4.378 4.326 4.413 0.103 8 0 "[ . 1 . 2]" 1
1182 1 65 TYR QD 1 66 ALA HA . . 4.040 2.476 2.443 2.520 . 0 0 "[ . 1 . 2]" 1
1183 1 39 ALA HA 1 65 TYR QD . . 3.240 2.074 2.008 2.142 . 0 0 "[ . 1 . 2]" 1
1184 1 65 TYR HA 1 65 TYR QD . . 3.290 3.189 3.161 3.228 . 0 0 "[ . 1 . 2]" 1
1185 1 65 TYR H 1 65 TYR QD . . 4.430 4.076 4.073 4.077 . 0 0 "[ . 1 . 2]" 1
1186 1 65 TYR QD 1 66 ALA H . . 4.060 2.257 2.196 2.341 . 0 0 "[ . 1 . 2]" 1
1187 1 65 TYR QD 1 69 LYS H . . 5.080 4.733 4.671 4.791 . 0 0 "[ . 1 . 2]" 1
1188 1 19 LEU QD 1 88 TYR QE . . 3.130 2.496 1.978 3.176 0.046 9 0 "[ . 1 . 2]" 1
1189 1 19 LEU HB3 1 88 TYR QE . . 4.370 2.857 2.519 3.263 . 0 0 "[ . 1 . 2]" 1
1190 1 19 LEU HG 1 88 TYR QE . . 4.320 4.068 3.253 4.359 0.039 14 0 "[ . 1 . 2]" 1
1191 1 86 ARG HB3 1 88 TYR QE . . 4.110 3.803 3.134 4.120 0.010 19 0 "[ . 1 . 2]" 1
1192 1 86 ARG HB2 1 88 TYR QE . . 4.010 3.982 3.836 4.122 0.112 11 0 "[ . 1 . 2]" 1
1193 1 21 SER QB 1 88 TYR QE . . 3.510 2.452 2.026 2.789 . 0 0 "[ . 1 . 2]" 1
1194 1 20 VAL HA 1 88 TYR QE . . 4.140 3.043 2.584 3.596 . 0 0 "[ . 1 . 2]" 1
1195 1 87 VAL HA 1 88 TYR QE . . 5.000 4.352 4.159 4.602 . 0 0 "[ . 1 . 2]" 1
1196 1 88 TYR H 1 88 TYR QE . . 4.650 3.991 3.837 4.179 . 0 0 "[ . 1 . 2]" 1
1197 1 21 SER H 1 88 TYR QE . . 4.150 2.806 2.248 3.345 . 0 0 "[ . 1 . 2]" 1
1198 1 74 LYS HG3 1 84 TYR QE . . 4.760 4.343 3.627 4.634 . 0 0 "[ . 1 . 2]" 1
1199 1 74 LYS HB3 1 84 TYR QE . . 3.740 4.003 3.746 4.159 0.419 8 0 "[ . 1 . 2]" 1
1200 1 74 LYS QD 1 84 TYR QE . . 4.120 3.759 3.233 4.068 . 0 0 "[ . 1 . 2]" 1
1201 1 74 LYS HB2 1 84 TYR QE . . 4.150 2.425 2.087 2.653 . 0 0 "[ . 1 . 2]" 1
1202 1 74 LYS HA 1 84 TYR QE . . 4.960 3.671 3.353 3.994 . 0 0 "[ . 1 . 2]" 1
1203 1 84 TYR HA 1 84 TYR QE . . 5.140 4.236 4.191 4.330 . 0 0 "[ . 1 . 2]" 1
1204 1 74 LYS H 1 84 TYR QE . . 4.270 4.089 3.514 4.278 0.008 20 0 "[ . 1 . 2]" 1
1205 1 19 LEU QD 1 88 TYR QD . . 3.530 3.266 2.866 3.483 . 0 0 "[ . 1 . 2]" 1
1206 1 19 LEU HB3 1 88 TYR QD . . 5.050 4.080 3.772 4.585 . 0 0 "[ . 1 . 2]" 1
1207 1 19 LEU HG 1 88 TYR QD . . 5.110 4.418 4.124 4.715 . 0 0 "[ . 1 . 2]" 1
1208 1 86 ARG HB3 1 88 TYR QD . . 4.020 2.661 2.403 2.853 . 0 0 "[ . 1 . 2]" 1
1209 1 86 ARG HB2 1 88 TYR QD . . 4.220 3.895 3.806 4.068 . 0 0 "[ . 1 . 2]" 1
1210 1 88 TYR QD 1 89 PRO QG . . 4.950 4.824 4.681 4.942 . 0 0 "[ . 1 . 2]" 1
1211 1 88 TYR QD 1 89 PRO QD . . 3.680 3.506 3.375 3.607 . 0 0 "[ . 1 . 2]" 1
1212 1 88 TYR HA 1 88 TYR QD . . 4.010 3.736 3.714 3.769 . 0 0 "[ . 1 . 2]" 1
1213 1 87 VAL HA 1 88 TYR QD . . 3.950 3.008 2.925 3.175 . 0 0 "[ . 1 . 2]" 1
1214 1 20 VAL HA 1 88 TYR QD . . 4.420 3.865 3.484 4.166 . 0 0 "[ . 1 . 2]" 1
1215 1 19 LEU H 1 88 TYR QD . . 4.330 4.252 4.138 4.349 0.019 16 0 "[ . 1 . 2]" 1
1216 1 88 TYR H 1 88 TYR QD . . 3.610 2.434 2.214 2.638 . 0 0 "[ . 1 . 2]" 1
1217 1 21 SER H 1 88 TYR QD . . 4.970 4.329 4.015 4.552 . 0 0 "[ . 1 . 2]" 1
1218 1 65 TYR QE 1 69 LYS QE . . 5.190 3.334 2.575 5.058 . 0 0 "[ . 1 . 2]" 1
1219 1 39 ALA HA 1 65 TYR QE . . 3.670 2.584 2.493 2.685 . 0 0 "[ . 1 . 2]" 1
1220 1 65 TYR QE 1 66 ALA H . . 5.500 4.672 4.607 4.754 . 0 0 "[ . 1 . 2]" 1
1221 1 15 ASP H 1 16 PHE QD . . 4.670 3.499 2.196 4.633 . 0 0 "[ . 1 . 2]" 1
1222 1 75 PHE QD 1 85 ILE MG . . 3.930 2.952 2.566 3.196 . 0 0 "[ . 1 . 2]" 1
1223 1 23 LEU HB3 1 75 PHE QD . . 4.160 4.112 4.037 4.198 0.038 20 0 "[ . 1 . 2]" 1
1224 1 24 PRO HG3 1 75 PHE QD . . 3.800 2.840 2.617 3.607 . 0 0 "[ . 1 . 2]" 1
1225 1 24 PRO QD 1 75 PHE QD . . 3.650 1.950 1.912 2.360 . 0 0 "[ . 1 . 2]" 1
1226 1 35 HIS HB3 1 75 PHE QD . . 3.780 3.488 3.314 3.681 . 0 0 "[ . 1 . 2]" 1
1227 1 75 PHE HA 1 75 PHE QD . . 3.780 2.370 2.141 2.522 . 0 0 "[ . 1 . 2]" 1
1228 1 75 PHE QD 1 76 ARG H . . 4.390 2.893 2.227 3.218 . 0 0 "[ . 1 . 2]" 1
1229 1 75 PHE QD 1 77 SER H . . 4.760 4.667 4.406 4.794 0.034 15 0 "[ . 1 . 2]" 1
1230 1 75 PHE H 1 75 PHE QD . . 4.810 4.080 4.043 4.098 . 0 0 "[ . 1 . 2]" 1
1231 1 23 LEU HB3 1 75 PHE QE . . 3.890 3.856 3.755 3.914 0.024 19 0 "[ . 1 . 2]" 1
1232 1 24 PRO QD 1 75 PHE QE . . 3.890 2.496 2.354 2.745 . 0 0 "[ . 1 . 2]" 1
1233 1 35 HIS HB2 1 75 PHE QE . . 3.600 3.384 3.233 3.603 0.003 4 0 "[ . 1 . 2]" 1
1234 1 27 GLY HA3 1 75 PHE QE . . 3.680 2.276 2.007 2.900 . 0 0 "[ . 1 . 2]" 1
1235 1 32 LEU HA 1 75 PHE QE . . 3.450 2.203 2.024 2.513 . 0 0 "[ . 1 . 2]" 1
1236 1 75 PHE QE 1 77 SER HA . . 3.980 3.449 3.121 3.736 . 0 0 "[ . 1 . 2]" 1
1237 1 27 GLY HA2 1 75 PHE QE . . 4.590 2.520 2.207 3.246 . 0 0 "[ . 1 . 2]" 1
1238 1 29 TRP HD1 1 47 VAL QG . . 4.590 2.659 1.808 4.081 . 0 0 "[ . 1 . 2]" 1
1239 1 29 TRP QB 1 29 TRP HD1 . . 3.430 2.603 2.581 2.641 . 0 0 "[ . 1 . 2]" 1
1240 1 29 TRP HA 1 29 TRP HD1 . . 4.610 4.526 4.416 4.584 . 0 0 "[ . 1 . 2]" 1
1241 1 29 TRP HD1 1 47 VAL H . . 5.500 3.904 3.513 4.306 . 0 0 "[ . 1 . 2]" 1
1242 1 29 TRP H 1 29 TRP HD1 . . 4.060 2.730 2.545 2.861 . 0 0 "[ . 1 . 2]" 1
1243 1 29 TRP HE3 1 30 GLN HB3 . . 4.920 4.903 4.844 4.946 0.026 11 0 "[ . 1 . 2]" 1
1244 1 29 TRP HE3 1 33 LYS QD . . 4.120 3.381 2.996 3.758 . 0 0 "[ . 1 . 2]" 1
1245 1 29 TRP HE3 1 30 GLN HA . . 3.370 2.341 2.154 2.501 . 0 0 "[ . 1 . 2]" 1
1246 1 29 TRP HZ3 1 33 LYS QD . . 3.700 3.318 2.742 3.635 . 0 0 "[ . 1 . 2]" 1
1247 1 78 HIS HD2 1 79 GLU HG3 . . 4.300 3.635 2.425 4.242 . 0 0 "[ . 1 . 2]" 1
1248 1 78 HIS HD2 1 79 GLU HG2 . . 4.180 2.663 2.041 3.748 . 0 0 "[ . 1 . 2]" 1
1249 1 78 HIS HB3 1 78 HIS HD2 . . 3.980 3.451 3.096 4.001 0.021 8 0 "[ . 1 . 2]" 1
1250 1 78 HIS HA 1 78 HIS HD2 . . 4.150 4.106 4.050 4.190 0.040 9 0 "[ . 1 . 2]" 1
1251 1 78 HIS H 1 78 HIS HD2 . . 4.690 3.097 1.949 4.548 . 0 0 "[ . 1 . 2]" 1
1252 1 18 VAL MG1 1 57 TYR QE . . 3.300 2.078 1.913 2.530 . 0 0 "[ . 1 . 2]" 1
1253 1 39 ALA MB 1 57 TYR QE . . 3.190 2.304 2.121 2.574 . 0 0 "[ . 1 . 2]" 1
1254 1 36 MET HB3 1 57 TYR QE . . 4.530 3.799 3.645 3.887 . 0 0 "[ . 1 . 2]" 1
1255 1 40 GLY H 1 57 TYR QE . . 3.980 2.359 1.990 2.665 . 0 0 "[ . 1 . 2]" 1
1256 1 57 TYR QE 1 57 TYR HH . . 3.190 2.381 2.285 2.496 . 0 0 "[ . 1 . 2]" 1
1257 1 16 PHE HB2 1 57 TYR HB3 . . 4.650 4.053 3.312 4.455 . 0 0 "[ . 1 . 2]" 1
1258 1 16 PHE HB3 1 57 TYR HB3 . . 5.130 4.773 3.973 5.134 0.004 1 0 "[ . 1 . 2]" 1
1259 1 9 PRO HB2 1 10 PRO HD3 . . 3.860 3.491 3.107 3.758 . 0 0 "[ . 1 . 2]" 1
1260 1 24 PRO HB2 1 25 PRO HD3 . . 3.440 3.145 3.046 3.258 . 0 0 "[ . 1 . 2]" 1
1261 1 24 PRO HB3 1 83 SER HB2 . . 3.670 3.332 2.668 4.335 0.665 5 2 "[ + 1 . - 2]" 1
1262 1 24 PRO HB3 1 26 SER H . . 5.030 3.889 3.829 3.958 . 0 0 "[ . 1 . 2]" 1
1263 1 24 PRO HA 1 25 PRO HD2 . . 3.630 2.925 2.869 2.974 . 0 0 "[ . 1 . 2]" 1
1264 1 24 PRO HG3 1 27 GLY HA2 . . 4.940 3.958 3.527 4.271 . 0 0 "[ . 1 . 2]" 1
1265 1 24 PRO HG3 1 75 PHE QE . . 4.410 3.778 3.554 4.075 . 0 0 "[ . 1 . 2]" 1
1266 1 23 LEU QD 1 24 PRO HG2 . . 5.500 3.860 3.683 4.288 . 0 0 "[ . 1 . 2]" 1
1267 1 23 LEU HB2 1 24 PRO QD . . 4.330 3.567 3.493 3.631 . 0 0 "[ . 1 . 2]" 1
1268 1 24 PRO QD 1 27 GLY HA2 . . 4.280 3.375 3.129 3.538 . 0 0 "[ . 1 . 2]" 1
1269 1 23 LEU HG 1 24 PRO QD . . 4.040 3.626 3.480 3.836 . 0 0 "[ . 1 . 2]" 1
1270 1 23 LEU H 1 24 PRO QD . . 5.500 4.324 4.254 4.340 . 0 0 "[ . 1 . 2]" 1
1271 1 16 PHE HB2 1 63 MET ME . . 3.990 3.666 3.498 3.974 . 0 0 "[ . 1 . 2]" 1
1272 1 57 TYR QD 1 63 MET ME . . 5.500 4.717 4.278 4.956 . 0 0 "[ . 1 . 2]" 1
1273 1 16 PHE QE 1 63 MET ME . . 4.740 3.785 3.286 4.231 . 0 0 "[ . 1 . 2]" 1
1274 1 17 ARG H 1 63 MET ME . . 4.520 3.970 3.698 4.247 . 0 0 "[ . 1 . 2]" 1
1275 1 54 MET HA 1 54 MET ME . . 5.280 3.887 3.561 4.246 . 0 0 "[ . 1 . 2]" 1
1276 1 54 MET ME 1 55 VAL HA . . 5.140 2.961 2.180 3.517 . 0 0 "[ . 1 . 2]" 1
1277 1 17 ARG HE 1 54 MET ME . . 4.090 2.881 1.919 4.109 0.019 20 0 "[ . 1 . 2]" 1
1278 1 46 ASP H 1 54 MET ME . . 4.310 4.276 3.967 4.340 0.030 10 0 "[ . 1 . 2]" 1
1279 1 21 SER HA 1 52 MET ME . . 4.200 3.668 3.034 4.222 0.022 13 0 "[ . 1 . 2]" 1
1280 1 52 MET HA 1 52 MET ME . . 4.040 3.733 2.736 4.064 0.024 2 0 "[ . 1 . 2]" 1
1281 1 22 GLY H 1 52 MET ME . . 5.170 4.680 3.821 5.171 0.001 8 0 "[ . 1 . 2]" 1
1282 1 52 MET ME 1 52 MET HG2 . . 3.650 2.426 2.051 3.363 . 0 0 "[ . 1 . 2]" 1
1283 1 36 MET HA 1 36 MET ME . . 3.750 1.961 1.943 1.979 . 0 0 "[ . 1 . 2]" 1
1284 1 36 MET ME 1 66 ALA HA . . 4.260 4.316 4.285 4.356 0.096 15 0 "[ . 1 . 2]" 1
1285 1 35 HIS HD2 1 36 MET ME . . 4.630 4.306 4.120 4.504 . 0 0 "[ . 1 . 2]" 1
1286 1 81 GLU H 1 81 GLU HB3 . . 4.110 3.446 2.206 3.560 . 0 0 "[ . 1 . 2]" 1
1287 1 65 TYR HA 1 68 ARG QB . . 3.980 3.554 3.441 3.632 . 0 0 "[ . 1 . 2]" 1
1288 1 68 ARG QB 1 69 LYS HG3 . . 4.630 4.556 4.348 4.661 0.031 8 0 "[ . 1 . 2]" 1
1289 1 9 PRO HB3 1 10 PRO HD2 . . 3.090 2.956 2.761 3.118 0.028 16 0 "[ . 1 . 2]" 1
1290 1 11 THR MG 1 13 ARG HD3 . . 4.470 3.510 2.059 4.848 0.378 12 0 "[ . 1 . 2]" 1
1291 1 11 THR MG 1 13 ARG HD2 . . 4.920 3.791 2.672 4.892 . 0 0 "[ . 1 . 2]" 1
1292 1 12 ARG HB3 1 13 ARG H . . 4.730 4.126 1.882 4.745 0.015 2 0 "[ . 1 . 2]" 1
1293 1 76 ARG HA 1 76 ARG HG2 . . 4.200 3.164 2.982 3.417 . 0 0 "[ . 1 . 2]" 1
1294 1 76 ARG HG2 1 77 SER H . . 4.480 3.526 3.176 3.826 . 0 0 "[ . 1 . 2]" 1
1295 1 16 PHE HB2 1 17 ARG H . . 5.140 4.394 4.302 4.492 . 0 0 "[ . 1 . 2]" 1
1296 1 16 PHE QE 1 60 LYS HD3 . . 4.780 4.427 3.724 4.691 . 0 0 "[ . 1 . 2]" 1
1297 1 16 PHE HZ 1 60 LYS HB2 . . 4.420 3.230 2.760 3.690 . 0 0 "[ . 1 . 2]" 1
1298 1 16 PHE HA 1 17 ARG QB . . 4.660 4.488 4.356 4.623 . 0 0 "[ . 1 . 2]" 1
1299 1 18 VAL MG2 1 57 TYR QD . . 3.860 3.568 3.369 3.737 . 0 0 "[ . 1 . 2]" 1
1300 1 19 LEU HB3 1 88 TYR H . . 5.240 4.753 4.606 5.171 . 0 0 "[ . 1 . 2]" 1
1301 1 20 VAL MG2 1 21 SER H . . 5.500 3.876 3.528 4.051 . 0 0 "[ . 1 . 2]" 1
1302 1 19 LEU HA 1 20 VAL MG2 . . 4.080 3.801 3.627 4.093 0.013 9 0 "[ . 1 . 2]" 1
1303 1 20 VAL MG1 1 86 ARG H . . 4.030 3.716 2.893 4.049 0.019 4 0 "[ . 1 . 2]" 1
1304 1 21 SER QB 1 52 MET HG2 . . 5.040 3.182 2.584 4.089 . 0 0 "[ . 1 . 2]" 1
1305 1 21 SER QB 1 22 GLY HA2 . . 4.910 4.345 4.043 4.575 . 0 0 "[ . 1 . 2]" 1
1306 1 21 SER QB 1 88 TYR QD . . 5.190 4.587 4.127 4.967 . 0 0 "[ . 1 . 2]" 1
1307 1 22 GLY HA2 1 85 ILE MG . . 5.170 4.040 3.642 4.419 . 0 0 "[ . 1 . 2]" 1
1308 1 23 LEU QD 1 52 MET H . . 5.340 3.400 3.098 3.944 . 0 0 "[ . 1 . 2]" 1
1309 1 23 LEU QD 1 85 ILE HA . . 5.500 4.588 3.855 4.867 . 0 0 "[ . 1 . 2]" 1
1310 1 23 LEU QD 1 24 PRO HG3 . . 4.810 3.996 3.774 4.262 . 0 0 "[ . 1 . 2]" 1
1311 1 23 LEU QD 1 85 ILE HB . . 4.970 3.367 2.644 3.647 . 0 0 "[ . 1 . 2]" 1
1312 1 24 PRO HB2 1 27 GLY H . . 5.100 2.582 2.335 2.850 . 0 0 "[ . 1 . 2]" 1
1313 1 24 PRO HG3 1 77 SER H . . 5.150 3.469 3.278 3.644 . 0 0 "[ . 1 . 2]" 1
1314 1 24 PRO HG2 1 77 SER H . . 5.250 3.924 3.736 4.331 . 0 0 "[ . 1 . 2]" 1
1315 1 24 PRO HG2 1 82 THR HA . . 5.500 5.257 4.660 5.508 0.008 9 0 "[ . 1 . 2]" 1
1316 1 27 GLY HA3 1 77 SER HB3 . . 4.610 3.602 3.240 4.276 . 0 0 "[ . 1 . 2]" 1
1317 1 28 SER HB3 1 30 GLN H . . 4.390 2.991 2.312 4.373 . 0 0 "[ . 1 . 2]" 1
1318 1 29 TRP QB 1 45 ALA MB . . 3.610 2.769 2.336 3.027 . 0 0 "[ . 1 . 2]" 1
1319 1 31 ASP HA 1 75 PHE HZ . . 5.070 4.840 4.490 5.081 0.011 12 0 "[ . 1 . 2]" 1
1320 1 31 ASP HB2 1 77 SER HA . . 4.900 4.034 3.553 4.591 . 0 0 "[ . 1 . 2]" 1
1321 1 23 LEU QD 1 32 LEU HA . . 5.030 3.978 3.794 4.136 . 0 0 "[ . 1 . 2]" 1
1322 1 29 TRP QB 1 32 LEU HB3 . . 4.730 3.701 3.609 3.797 . 0 0 "[ . 1 . 2]" 1
1323 1 33 LYS QG 1 42 VAL HB . . 3.540 2.439 2.250 2.848 . 0 0 "[ . 1 . 2]" 1
1324 1 33 LYS HB2 1 33 LYS QD . . 3.670 2.376 2.146 2.641 . 0 0 "[ . 1 . 2]" 1
1325 1 30 GLN HA 1 33 LYS QD . . 4.830 4.008 3.737 4.319 . 0 0 "[ . 1 . 2]" 1
1326 1 33 LYS HA 1 33 LYS QD . . 5.080 3.944 3.758 4.090 . 0 0 "[ . 1 . 2]" 1
1327 1 35 HIS HA 1 38 GLU H . . 4.820 3.921 3.840 4.026 . 0 0 "[ . 1 . 2]" 1
1328 1 35 HIS HA 1 37 ARG H . . 5.500 4.377 4.261 4.568 . 0 0 "[ . 1 . 2]" 1
1329 1 33 LYS HA 1 36 MET HB3 . . 5.180 3.898 3.782 4.057 . 0 0 "[ . 1 . 2]" 1
1330 1 36 MET HB2 1 70 LEU MD1 . . 4.580 4.607 4.580 4.648 0.068 19 0 "[ . 1 . 2]" 1
1331 1 33 LYS HA 1 36 MET HB2 . . 5.280 2.219 2.111 2.386 . 0 0 "[ . 1 . 2]" 1
1332 1 35 HIS H 1 36 MET HG2 . . 5.500 4.379 4.243 4.513 . 0 0 "[ . 1 . 2]" 1
1333 1 36 MET ME 1 37 ARG HA . . 5.210 4.697 4.570 4.828 . 0 0 "[ . 1 . 2]" 1
1334 1 36 MET ME 1 39 ALA H . . 5.300 3.825 3.711 3.940 . 0 0 "[ . 1 . 2]" 1
1335 1 36 MET ME 1 37 ARG H . . 5.500 4.367 4.285 4.443 . 0 0 "[ . 1 . 2]" 1
1336 1 52 MET ME 1 53 GLY H . . 5.500 4.319 1.939 5.592 0.092 13 0 "[ . 1 . 2]" 1
1337 1 33 LYS QG 1 37 ARG QD . . 4.470 2.108 1.956 2.822 . 0 0 "[ . 1 . 2]" 1
1338 1 37 ARG H 1 38 GLU HB2 . . 5.120 4.746 4.728 4.766 . 0 0 "[ . 1 . 2]" 1
1339 1 40 GLY HA3 1 41 ASP QB . . 4.930 4.044 3.976 4.122 . 0 0 "[ . 1 . 2]" 1
1340 1 33 LYS HA 1 42 VAL HB . . 5.250 4.840 4.500 5.239 . 0 0 "[ . 1 . 2]" 1
1341 1 41 ASP H 1 42 VAL MG2 . . 5.090 4.582 4.390 5.015 . 0 0 "[ . 1 . 2]" 1
1342 1 42 VAL MG1 1 43 CYS HA . . 4.840 4.224 3.879 4.373 . 0 0 "[ . 1 . 2]" 1
1343 1 44 TYR HB2 1 56 GLU HB3 . . 4.240 3.943 3.457 4.243 0.003 14 0 "[ . 1 . 2]" 1
1344 1 44 TYR HB3 1 55 VAL HA . . 5.340 3.636 3.134 4.384 . 0 0 "[ . 1 . 2]" 1
1345 1 29 TRP HZ3 1 45 ALA MB . . 5.140 3.855 3.043 4.282 . 0 0 "[ . 1 . 2]" 1
1346 1 29 TRP HA 1 47 VAL HB . . 5.070 3.276 2.691 4.561 . 0 0 "[ . 1 . 2]" 1
1347 1 28 SER HA 1 47 VAL QG . . 4.210 2.747 2.361 3.288 . 0 0 "[ . 1 . 2]" 1
1348 1 52 MET HB2 1 53 GLY H . . 4.020 3.982 3.569 4.272 0.252 19 0 "[ . 1 . 2]" 1
1349 1 48 GLN H 1 52 MET HB3 . . 5.270 3.893 3.278 4.732 . 0 0 "[ . 1 . 2]" 1
1350 1 52 MET HA 1 53 GLY HA3 . . 4.670 4.330 4.327 4.342 . 0 0 "[ . 1 . 2]" 1
1351 1 17 ARG QB 1 54 MET QG . . 4.410 2.975 2.618 3.286 . 0 0 "[ . 1 . 2]" 1
1352 1 20 VAL H 1 54 MET QG . . 5.110 4.616 4.295 4.919 . 0 0 "[ . 1 . 2]" 1
1353 1 17 ARG HE 1 54 MET QG . . 4.620 3.191 1.975 4.639 0.019 18 0 "[ . 1 . 2]" 1
1354 1 56 GLU HB3 1 57 TYR H . . 3.920 3.128 2.373 3.918 . 0 0 "[ . 1 . 2]" 1
1355 1 42 VAL MG1 1 57 TYR HA . . 4.590 4.155 3.688 4.419 . 0 0 "[ . 1 . 2]" 1
1356 1 43 CYS H 1 57 TYR HA . . 4.290 3.414 2.719 3.900 . 0 0 "[ . 1 . 2]" 1
1357 1 16 PHE HB3 1 60 LYS HG3 . . 4.140 3.848 3.497 4.149 0.009 20 0 "[ . 1 . 2]" 1
1358 1 41 ASP H 1 58 LEU QD . . 4.980 3.922 3.003 4.808 . 0 0 "[ . 1 . 2]" 1
1359 1 33 LYS HB3 1 37 ARG QD . . 4.090 3.878 3.707 4.021 . 0 0 "[ . 1 . 2]" 1
1360 1 59 ARG HB2 1 60 LYS H . . 4.600 4.088 2.962 4.396 . 0 0 "[ . 1 . 2]" 1
1361 1 74 LYS HB2 1 75 PHE H . . 5.320 4.520 4.444 4.577 . 0 0 "[ . 1 . 2]" 1
1362 1 60 LYS HG2 1 61 GLU HA . . 4.490 3.690 3.373 3.915 . 0 0 "[ . 1 . 2]" 1
1363 1 60 LYS HB3 1 61 GLU HA . . 5.060 4.214 4.093 4.402 . 0 0 "[ . 1 . 2]" 1
1364 1 62 ASP HA 1 65 TYR H . . 3.760 3.646 3.434 3.777 0.017 3 0 "[ . 1 . 2]" 1
1365 1 57 TYR QD 1 63 MET HB3 . . 4.770 4.179 3.981 4.665 . 0 0 "[ . 1 . 2]" 1
1366 1 63 MET HG2 1 64 GLU HA . . 5.150 3.948 3.398 4.818 . 0 0 "[ . 1 . 2]" 1
1367 1 57 TYR QD 1 63 MET HG2 . . 4.880 3.581 1.994 4.173 . 0 0 "[ . 1 . 2]" 1
1368 1 63 MET H 1 63 MET HG3 . . 4.550 4.241 4.163 4.338 . 0 0 "[ . 1 . 2]" 1
1369 1 65 TYR HA 1 65 TYR QE . . 5.500 4.928 4.899 4.963 . 0 0 "[ . 1 . 2]" 1
1370 1 65 TYR HA 1 69 LYS H . . 4.190 3.585 3.561 3.614 . 0 0 "[ . 1 . 2]" 1
1371 1 65 TYR HA 1 68 ARG QG . . 4.270 3.881 3.777 4.124 . 0 0 "[ . 1 . 2]" 1
1372 1 29 TRP HA 1 32 LEU MD2 . . 3.140 3.134 3.012 3.188 0.048 20 0 "[ . 1 . 2]" 1
1373 1 67 LEU MD2 1 88 TYR HB3 . . 4.870 4.047 3.887 4.337 . 0 0 "[ . 1 . 2]" 1
1374 1 67 LEU MD2 1 88 TYR HB2 . . 4.350 4.036 3.884 4.275 . 0 0 "[ . 1 . 2]" 1
1375 1 67 LEU MD1 1 88 TYR HA . . 5.450 3.810 3.458 4.104 . 0 0 "[ . 1 . 2]" 1
1376 1 64 GLU H 1 67 LEU MD1 . . 5.280 3.286 3.057 3.766 . 0 0 "[ . 1 . 2]" 1
1377 1 65 TYR QE 1 69 LYS HG2 . . 4.780 3.254 3.130 3.415 . 0 0 "[ . 1 . 2]" 1
1378 1 44 TYR H 1 58 LEU QD . . 4.880 4.309 3.907 4.730 . 0 0 "[ . 1 . 2]" 1
1379 1 43 CYS H 1 58 LEU QD . . 5.500 2.917 2.362 3.656 . 0 0 "[ . 1 . 2]" 1
1380 1 70 LEU HB3 1 71 ASP H . . 5.180 3.526 3.478 3.736 . 0 0 "[ . 1 . 2]" 1
1381 1 37 ARG H 1 70 LEU MD1 . . 5.390 5.069 5.033 5.098 . 0 0 "[ . 1 . 2]" 1
1382 1 33 LYS HB2 1 33 LYS QE . . 4.290 3.584 3.321 3.857 . 0 0 "[ . 1 . 2]" 1
1383 1 70 LEU H 1 71 ASP HB2 . . 4.970 4.696 4.579 4.771 . 0 0 "[ . 1 . 2]" 1
1384 1 74 LYS HA 1 75 PHE HB2 . . 4.870 4.643 4.595 4.726 . 0 0 "[ . 1 . 2]" 1
1385 1 74 LYS HA 1 75 PHE HA . . 5.150 4.404 4.384 4.412 . 0 0 "[ . 1 . 2]" 1
1386 1 75 PHE HA 1 85 ILE MG . . 5.500 5.063 4.588 5.386 . 0 0 "[ . 1 . 2]" 1
1387 1 75 PHE HB3 1 76 ARG H . . 4.740 4.308 4.015 4.514 . 0 0 "[ . 1 . 2]" 1
1388 1 24 PRO QD 1 75 PHE HB3 . . 4.660 3.378 3.265 3.856 . 0 0 "[ . 1 . 2]" 1
1389 1 76 ARG H 1 76 ARG HG3 . . 5.150 4.505 4.407 4.612 . 0 0 "[ . 1 . 2]" 1
1390 1 76 ARG HG3 1 80 GLY H . . 5.300 4.313 3.854 4.515 . 0 0 "[ . 1 . 2]" 1
1391 1 76 ARG QD 1 77 SER H . . 5.410 5.050 4.815 5.217 . 0 0 "[ . 1 . 2]" 1
1392 1 75 PHE QE 1 77 SER HB2 . . 5.190 4.481 4.008 4.914 . 0 0 "[ . 1 . 2]" 1
1393 1 27 GLY HA3 1 77 SER HB2 . . 5.180 3.894 3.479 4.665 . 0 0 "[ . 1 . 2]" 1
1394 1 24 PRO HG2 1 77 SER HB2 . . 5.380 3.217 2.624 4.142 . 0 0 "[ . 1 . 2]" 1
1395 1 76 ARG HA 1 77 SER HB3 . . 5.500 4.566 4.387 4.972 . 0 0 "[ . 1 . 2]" 1
1396 1 27 GLY H 1 77 SER HB3 . . 5.410 3.448 2.850 4.230 . 0 0 "[ . 1 . 2]" 1
1397 1 79 GLU H 1 79 GLU HB2 . . 3.190 2.235 2.143 2.770 . 0 0 "[ . 1 . 2]" 1
1398 1 81 GLU HA 1 81 GLU HG3 . . 3.680 2.593 2.114 3.525 . 0 0 "[ . 1 . 2]" 1
1399 1 81 GLU HB2 1 82 THR H . . 4.550 4.199 3.813 4.556 0.006 14 0 "[ . 1 . 2]" 1
1400 1 77 SER HB3 1 81 GLU HB2 . . 4.540 3.783 3.228 5.504 0.964 17 1 "[ . 1 . + 2]" 1
1401 1 81 GLU HG2 1 82 THR H . . 5.000 3.878 3.450 4.569 . 0 0 "[ . 1 . 2]" 1
1402 1 24 PRO QD 1 83 SER HB2 . . 4.910 2.745 2.126 4.116 . 0 0 "[ . 1 . 2]" 1
1403 1 83 SER HB3 1 84 TYR QB . . 5.050 4.454 4.084 5.644 0.594 2 1 "[ + . 1 . 2]" 1
1404 1 75 PHE HB2 1 85 ILE HG12 . . 4.120 2.115 1.988 2.671 . 0 0 "[ . 1 . 2]" 1
1405 1 72 ASP HB3 1 86 ARG HD3 . . 4.930 4.291 3.459 5.521 0.591 10 1 "[ . + . 2]" 1
1406 1 67 LEU H 1 87 VAL QG . . 5.100 3.666 3.581 3.801 . 0 0 "[ . 1 . 2]" 1
1407 1 19 LEU QD 1 90 GLU HB3 . . 3.710 3.476 1.906 3.947 0.237 16 0 "[ . 1 . 2]" 1
1408 1 86 ARG HB3 1 86 ARG HD2 . . 3.720 2.750 2.003 4.256 0.536 1 4 "[+ .* 1* . - 2]" 1
1409 1 13 ARG HB2 1 13 ARG HD2 . . 4.220 3.357 2.284 4.105 . 0 0 "[ . 1 . 2]" 1
1410 1 59 ARG H 1 62 ASP QB . . 4.150 3.022 2.824 3.852 . 0 0 "[ . 1 . 2]" 1
1411 1 35 HIS HE1 1 73 THR MG . . 4.890 3.940 3.705 4.275 . 0 0 "[ . 1 . 2]" 1
1412 1 35 HIS HE1 1 75 PHE HB2 . . 4.910 4.435 3.909 4.609 . 0 0 "[ . 1 . 2]" 1
1413 1 35 HIS HE1 1 75 PHE HA . . 3.430 3.323 3.116 3.452 0.022 11 0 "[ . 1 . 2]" 1
1414 1 35 HIS HE1 1 73 THR HB . . 3.440 2.622 2.251 2.933 . 0 0 "[ . 1 . 2]" 1
1415 1 35 HIS HE1 1 75 PHE QD . . 5.500 4.429 4.068 4.630 . 0 0 "[ . 1 . 2]" 1
1416 1 35 HIS HE1 1 76 ARG H . . 5.040 4.934 4.520 5.056 0.016 4 0 "[ . 1 . 2]" 1
1417 1 35 HIS HE1 1 74 LYS H . . 4.830 3.469 3.135 4.246 . 0 0 "[ . 1 . 2]" 1
1418 1 57 TYR HB2 1 59 ARG H . . 4.020 3.503 3.056 4.040 0.020 3 0 "[ . 1 . 2]" 1
1419 1 12 ARG HA 1 12 ARG QG . . 3.630 2.417 1.980 3.421 . 0 0 "[ . 1 . 2]" 1
1420 1 35 HIS HD2 1 70 LEU MD2 . . 3.990 2.328 2.116 2.735 . 0 0 "[ . 1 . 2]" 1
1421 1 35 HIS HD2 1 70 LEU HB3 . . 5.080 4.046 3.849 4.235 . 0 0 "[ . 1 . 2]" 1
1422 1 35 HIS HD2 1 36 MET HG2 . . 4.430 4.254 3.925 4.430 . 0 0 "[ . 1 . 2]" 1
1423 1 35 HIS HD2 1 36 MET H . . 4.940 3.706 3.381 3.978 . 0 0 "[ . 1 . 2]" 1
1424 1 14 SER QB 1 58 LEU HA . . 5.300 2.907 2.031 3.579 . 0 0 "[ . 1 . 2]" 1
1425 1 74 LYS QE 1 82 THR HB . . 3.870 2.793 2.061 3.373 . 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 8
_Distance_constraint_stats_list.Viol_count 80
_Distance_constraint_stats_list.Viol_total 76.215
_Distance_constraint_stats_list.Viol_max 0.078
_Distance_constraint_stats_list.Viol_rms 0.0266
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0238
_Distance_constraint_stats_list.Viol_average_violations_only 0.0476
_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 64 GLU 1.030 0.065 17 0 "[ . 1 . 2]"
1 65 TYR 0.770 0.046 19 0 "[ . 1 . 2]"
1 66 ALA 0.594 0.044 19 0 "[ . 1 . 2]"
1 67 LEU 1.417 0.078 7 0 "[ . 1 . 2]"
1 68 ARG 1.030 0.065 17 0 "[ . 1 . 2]"
1 69 LYS 0.770 0.046 19 0 "[ . 1 . 2]"
1 70 LEU 0.594 0.044 19 0 "[ . 1 . 2]"
1 71 ASP 1.417 0.078 7 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 67 LEU O 1 71 ASP H . . 1.800 1.871 1.854 1.878 0.078 7 0 "[ . 1 . 2]" 2
2 1 67 LEU O 1 71 ASP N . . 2.700 2.637 2.625 2.678 . 0 0 "[ . 1 . 2]" 2
3 1 66 ALA O 1 70 LEU H . . 1.800 1.830 1.823 1.844 0.044 19 0 "[ . 1 . 2]" 2
4 1 66 ALA O 1 70 LEU N . . 2.700 2.668 2.648 2.676 . 0 0 "[ . 1 . 2]" 2
5 1 65 TYR O 1 69 LYS H . . 1.800 1.838 1.832 1.846 0.046 19 0 "[ . 1 . 2]" 2
6 1 65 TYR O 1 69 LYS N . . 2.700 2.636 2.623 2.654 . 0 0 "[ . 1 . 2]" 2
7 1 64 GLU O 1 68 ARG H . . 1.800 1.774 1.762 1.786 . 0 0 "[ . 1 . 2]" 2
8 1 64 GLU O 1 68 ARG N . . 2.700 2.752 2.741 2.765 0.065 17 0 "[ . 1 . 2]" 2
stop_
save_
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