NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
642244 |
6ppt   |
30627 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6ppt
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1144
_Distance_constraint_stats_list.Viol_count 804
_Distance_constraint_stats_list.Viol_total 1560.192
_Distance_constraint_stats_list.Viol_max 0.414
_Distance_constraint_stats_list.Viol_rms 0.0235
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0970
_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 1 MET 0.803 0.092 1 0 "[ . 1 . 2]"
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 THR 6.591 0.414 12 0 "[ . 1 . 2]"
1 4 ILE 7.274 0.259 12 0 "[ . 1 . 2]"
1 5 ALA 1.698 0.249 15 0 "[ . 1 . 2]"
1 6 LEU 16.724 0.335 4 0 "[ . 1 . 2]"
1 7 ALA 1.869 0.259 11 0 "[ . 1 . 2]"
1 8 LEU 2.779 0.123 12 0 "[ . 1 . 2]"
1 9 LEU 0.531 0.125 5 0 "[ . 1 . 2]"
1 10 PRO 1.904 0.387 12 0 "[ . 1 . 2]"
1 11 LEU 3.815 0.402 13 0 "[ . 1 . 2]"
1 12 GLY 1.911 0.402 13 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLY 0.725 0.107 10 0 "[ . 1 . 2]"
1 24 ARG 3.899 0.247 16 0 "[ . 1 . 2]"
1 25 ASP 2.306 0.170 9 0 "[ . 1 . 2]"
1 26 LEU 1.780 0.247 16 0 "[ . 1 . 2]"
1 27 ARG 0.253 0.182 17 0 "[ . 1 . 2]"
1 28 ALA 8.492 0.335 4 0 "[ . 1 . 2]"
1 29 GLU 3.716 0.335 7 0 "[ . 1 . 2]"
1 30 LEU 10.276 0.384 16 0 "[ . 1 . 2]"
1 31 PRO 9.775 0.384 16 0 "[ . 1 . 2]"
1 32 LEU 3.563 0.207 3 0 "[ . 1 . 2]"
1 33 THR 9.207 0.414 12 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLU 2.672 0.193 3 0 "[ . 1 . 2]"
1 37 ALA 0.061 0.029 15 0 "[ . 1 . 2]"
1 38 PHE 0.009 0.008 16 0 "[ . 1 . 2]"
1 39 HIS 0.094 0.094 8 0 "[ . 1 . 2]"
1 40 GLY 0.009 0.008 16 0 "[ . 1 . 2]"
1 41 GLY 0.009 0.009 12 0 "[ . 1 . 2]"
1 42 GLU 0.036 0.036 19 0 "[ . 1 . 2]"
1 43 ARG 4.828 0.265 7 0 "[ . 1 . 2]"
1 44 VAL 1.449 0.265 7 0 "[ . 1 . 2]"
1 45 VAL 1.922 0.184 17 0 "[ . 1 . 2]"
1 46 GLU 2.423 0.249 15 0 "[ . 1 . 2]"
1 47 VAL 0.900 0.259 11 0 "[ . 1 . 2]"
1 48 ALA 0.882 0.123 12 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ARG 0.453 0.159 2 0 "[ . 1 . 2]"
1 51 ARG 0.111 0.037 10 0 "[ . 1 . 2]"
1 52 VAL 0.984 0.122 13 0 "[ . 1 . 2]"
1 53 SER 0.230 0.074 11 0 "[ . 1 . 2]"
1 54 VAL 4.188 0.273 6 0 "[ . 1 . 2]"
1 55 ARG 0.807 0.173 15 0 "[ . 1 . 2]"
1 56 ILE 0.648 0.087 12 0 "[ . 1 . 2]"
1 58 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 VAL 0.630 0.116 4 0 "[ . 1 . 2]"
1 61 ARG 0.225 0.075 19 0 "[ . 1 . 2]"
1 62 GLU 0.131 0.094 12 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 SER 5.104 0.294 6 0 "[ . 1 . 2]"
1 65 VAL 0.791 0.099 20 0 "[ . 1 . 2]"
1 66 ILE 3.416 0.273 6 0 "[ . 1 . 2]"
1 67 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 VAL 0.418 0.135 14 0 "[ . 1 . 2]"
1 69 PRO 0.055 0.025 1 0 "[ . 1 . 2]"
1 70 GLY 0.688 0.135 14 0 "[ . 1 . 2]"
1 71 MET 2.088 0.281 9 0 "[ . 1 . 2]"
1 72 GLY 0.688 0.202 7 0 "[ . 1 . 2]"
1 73 GLY 0.063 0.063 15 0 "[ . 1 . 2]"
1 74 GLN 0.470 0.124 14 0 "[ . 1 . 2]"
1 75 GLY 0.470 0.124 14 0 "[ . 1 . 2]"
1 76 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.650 0.107 10 0 "[ . 1 . 2]"
1 80 ASP 0.545 0.076 1 0 "[ . 1 . 2]"
1 81 LEU 1.061 0.281 9 0 "[ . 1 . 2]"
1 82 LEU 0.561 0.156 11 0 "[ . 1 . 2]"
1 83 LEU 1.280 0.118 10 0 "[ . 1 . 2]"
1 84 VAL 0.323 0.099 20 0 "[ . 1 . 2]"
1 85 VAL 6.640 0.294 6 0 "[ . 1 . 2]"
1 86 ARG 1.071 0.111 11 0 "[ . 1 . 2]"
1 87 LEU 2.335 0.207 3 0 "[ . 1 . 2]"
1 88 LEU 0.177 0.092 20 0 "[ . 1 . 2]"
1 89 PRO 0.177 0.092 20 0 "[ . 1 . 2]"
1 90 HIS 0.000 0.000 . 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 3 THR MG 1 51 ARG HG3 3.880 . 5.960 5.165 4.519 5.754 . 0 0 "[ . 1 . 2]" 1
2 1 3 THR MG 1 5 ALA MB 4.040 . 6.280 4.809 4.041 6.434 0.154 14 0 "[ . 1 . 2]" 1
3 1 4 ILE HG12 1 45 VAL MG1 4.300 . 6.800 4.072 3.471 4.414 . 0 0 "[ . 1 . 2]" 1
4 1 4 ILE HG13 1 45 VAL MG1 4.300 . 6.800 3.096 2.140 3.925 . 0 0 "[ . 1 . 2]" 1
5 1 6 LEU MD1 1 28 ALA MB 3.060 . 4.320 2.496 2.231 2.815 . 0 0 "[ . 1 . 2]" 1
6 1 6 LEU HB3 1 6 LEU MD1 2.990 . 4.180 3.218 3.207 3.233 . 0 0 "[ . 1 . 2]" 1
7 1 6 LEU MD1 1 30 LEU HG 3.160 . 4.520 3.576 3.137 4.143 . 0 0 "[ . 1 . 2]" 1
8 1 6 LEU MD1 1 30 LEU MD2 3.190 . 4.580 2.716 2.319 3.468 . 0 0 "[ . 1 . 2]" 1
9 1 8 LEU HG 1 28 ALA MB 3.330 . 4.860 3.566 3.268 3.952 . 0 0 "[ . 1 . 2]" 1
10 1 4 ILE MD 1 6 LEU MD1 3.290 . 4.780 4.015 3.760 4.664 . 0 0 "[ . 1 . 2]" 1
11 1 4 ILE MD 1 4 ILE MG 2.810 . 3.820 1.994 1.960 2.045 . 0 0 "[ . 1 . 2]" 1
12 1 4 ILE MD 1 43 ARG HB3 3.690 . 5.580 3.474 3.140 3.948 . 0 0 "[ . 1 . 2]" 1
13 1 4 ILE MD 1 45 VAL HB 3.470 . 5.140 3.808 2.211 5.205 0.065 17 0 "[ . 1 . 2]" 1
14 1 32 LEU MD2 1 56 ILE MD 2.890 . 3.980 1.796 1.740 1.898 0.060 5 0 "[ . 1 . 2]" 1
15 1 30 LEU MD2 1 56 ILE MD 3.340 . 4.880 4.776 3.673 4.967 0.087 12 0 "[ . 1 . 2]" 1
16 1 32 LEU HG 1 56 ILE MD 3.330 . 4.860 3.562 3.437 3.662 . 0 0 "[ . 1 . 2]" 1
17 1 56 ILE HG12 1 66 ILE MD 3.960 . 6.120 4.903 4.736 5.252 . 0 0 "[ . 1 . 2]" 1
18 1 60 VAL MG2 1 66 ILE MD 3.100 . 4.400 3.218 2.751 3.963 . 0 0 "[ . 1 . 2]" 1
19 1 56 ILE MG 1 66 ILE MD 3.060 . 4.320 2.050 1.873 2.297 . 0 0 "[ . 1 . 2]" 1
20 1 66 ILE MD 1 66 ILE MG 2.840 . 3.880 2.049 2.017 2.111 . 0 0 "[ . 1 . 2]" 1
21 1 66 ILE MG 1 83 LEU MD1 3.120 . 4.440 2.664 2.408 3.216 . 0 0 "[ . 1 . 2]" 1
22 1 66 ILE MG 1 68 VAL MG1 3.020 . 4.240 3.536 3.344 3.834 . 0 0 "[ . 1 . 2]" 1
23 1 4 ILE MG 1 30 LEU MD1 3.390 . 4.980 3.671 3.267 4.116 . 0 0 "[ . 1 . 2]" 1
24 1 56 ILE MG 1 60 VAL MG1 3.030 . 4.260 3.280 2.977 3.867 . 0 0 "[ . 1 . 2]" 1
25 1 68 VAL MG1 1 83 LEU MD1 3.030 . 4.260 2.185 2.064 2.514 . 0 0 "[ . 1 . 2]" 1
26 1 68 VAL MG1 1 81 LEU MD2 3.110 . 4.420 2.496 2.225 2.699 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE HG13 1 45 VAL MG2 4.300 . 6.800 2.294 1.980 2.597 . 0 0 "[ . 1 . 2]" 1
28 1 37 ALA MB 1 60 VAL MG2 3.360 . 4.920 4.592 4.206 4.949 0.029 15 0 "[ . 1 . 2]" 1
29 1 56 ILE MG 1 60 VAL MG2 3.050 . 4.300 3.564 3.048 4.275 . 0 0 "[ . 1 . 2]" 1
30 1 44 VAL MG1 1 51 ARG HB2 3.610 . 5.420 4.031 3.568 4.350 . 0 0 "[ . 1 . 2]" 1
31 1 44 VAL MG1 1 51 ARG HB3 3.610 . 5.420 4.498 4.371 4.689 . 0 0 "[ . 1 . 2]" 1
32 1 32 LEU MD2 1 85 VAL MG1 2.990 . 4.180 3.976 3.867 4.084 . 0 0 "[ . 1 . 2]" 1
33 1 85 VAL MG1 1 87 LEU MD1 3.300 . 4.800 3.375 2.798 3.859 . 0 0 "[ . 1 . 2]" 1
34 1 60 VAL MG2 1 85 VAL MG1 2.220 . 2.640 2.110 1.922 2.312 . 0 0 "[ . 1 . 2]" 1
35 1 60 VAL MG1 1 85 VAL MG1 3.200 . 4.600 3.853 3.444 4.107 . 0 0 "[ . 1 . 2]" 1
36 1 37 ALA MB 1 85 VAL MG1 3.900 . 6.000 5.326 4.970 5.675 . 0 0 "[ . 1 . 2]" 1
37 1 6 LEU MD2 1 83 LEU MD2 2.900 . 4.000 2.111 2.022 2.195 . 0 0 "[ . 1 . 2]" 1
38 1 81 LEU MD2 1 83 LEU MD2 3.030 . 4.260 2.144 2.012 2.303 . 0 0 "[ . 1 . 2]" 1
39 1 81 LEU MD1 1 83 LEU MD2 2.950 . 4.100 3.138 2.934 3.354 . 0 0 "[ . 1 . 2]" 1
40 1 7 ALA MB 1 9 LEU MD1 2.980 . 4.160 3.263 2.878 3.685 . 0 0 "[ . 1 . 2]" 1
41 1 30 LEU MD2 1 83 LEU MD1 2.730 . 3.660 2.500 2.230 3.153 . 0 0 "[ . 1 . 2]" 1
42 1 30 LEU MD2 1 32 LEU MD2 3.850 . 5.900 4.542 3.483 4.851 . 0 0 "[ . 1 . 2]" 1
43 1 32 LEU MD2 1 60 VAL MG2 2.930 . 4.060 3.170 2.867 3.449 . 0 0 "[ . 1 . 2]" 1
44 1 32 LEU MD2 1 37 ALA MB 2.990 . 4.180 2.487 2.124 3.065 . 0 0 "[ . 1 . 2]" 1
45 1 30 LEU MD2 1 85 VAL MG2 3.140 . 4.480 4.035 3.051 4.386 . 0 0 "[ . 1 . 2]" 1
46 1 30 LEU MD2 1 66 ILE MD 3.260 . 4.720 2.853 2.088 3.370 . 0 0 "[ . 1 . 2]" 1
47 1 6 LEU MD2 1 8 LEU HG 2.850 . 3.900 2.717 2.392 3.123 . 0 0 "[ . 1 . 2]" 1
48 1 30 LEU HG 1 85 VAL MG2 3.210 . 4.620 3.880 3.435 4.237 . 0 0 "[ . 1 . 2]" 1
49 1 60 VAL MG1 1 85 VAL MG2 2.990 . 4.180 2.904 2.580 3.162 . 0 0 "[ . 1 . 2]" 1
50 1 66 ILE MD 1 85 VAL MG2 3.220 . 4.640 4.413 3.956 4.751 0.111 18 0 "[ . 1 . 2]" 1
51 1 68 VAL MG2 1 81 LEU MD2 3.240 . 4.680 4.092 3.752 4.393 . 0 0 "[ . 1 . 2]" 1
52 1 68 VAL MG2 1 83 LEU HG 3.770 . 5.740 5.148 4.756 5.686 . 0 0 "[ . 1 . 2]" 1
53 1 68 VAL MG2 1 83 LEU MD2 3.930 . 6.050 5.055 4.613 5.622 . 0 0 "[ . 1 . 2]" 1
54 1 8 LEU MD2 1 28 ALA MB 2.550 . 3.300 2.095 1.893 2.389 . 0 0 "[ . 1 . 2]" 1
55 1 32 LEU MD1 1 56 ILE MD 3.070 . 4.340 2.116 1.962 2.220 . 0 0 "[ . 1 . 2]" 1
56 1 32 LEU MD1 1 36 GLU HB3 3.310 . 4.820 2.288 2.159 2.417 . 0 0 "[ . 1 . 2]" 1
57 1 44 VAL MG2 1 51 ARG HG2 3.420 . 5.040 3.995 3.391 4.428 . 0 0 "[ . 1 . 2]" 1
58 1 3 THR MG 1 44 VAL MG1 2.470 . 3.140 2.665 2.116 3.010 . 0 0 "[ . 1 . 2]" 1
59 1 8 LEU MD1 1 48 ALA MB 3.110 . 4.420 2.533 2.104 2.896 . 0 0 "[ . 1 . 2]" 1
60 1 6 LEU MD1 1 30 LEU MD1 3.100 . 4.400 4.074 2.077 4.362 . 0 0 "[ . 1 . 2]" 1
61 1 4 ILE MD 1 30 LEU MD1 3.230 . 4.660 2.071 1.997 2.164 . 0 0 "[ . 1 . 2]" 1
62 1 8 LEU MD2 1 48 ALA MB 3.340 . 4.880 4.516 3.926 4.971 0.091 16 0 "[ . 1 . 2]" 1
63 1 60 VAL MG1 1 87 LEU MD1 2.870 . 3.940 2.831 1.989 3.580 . 0 0 "[ . 1 . 2]" 1
64 1 30 LEU HG 1 32 LEU MD1 3.770 . 5.740 4.890 3.056 5.185 . 0 0 "[ . 1 . 2]" 1
65 1 6 LEU MD2 1 81 LEU MD2 2.220 . 2.640 2.202 1.972 2.529 . 0 0 "[ . 1 . 2]" 1
66 1 8 LEU MD2 1 81 LEU MD2 3.230 . 4.660 2.897 2.152 3.305 . 0 0 "[ . 1 . 2]" 1
67 1 8 LEU HB3 1 8 LEU MD1 3.020 . 4.240 2.403 2.354 2.441 . 0 0 "[ . 1 . 2]" 1
68 1 8 LEU HB2 1 8 LEU MD1 3.170 . 4.540 2.417 2.382 2.466 . 0 0 "[ . 1 . 2]" 1
69 1 30 LEU MD2 1 56 ILE MG 3.470 . 5.140 3.174 2.567 3.602 . 0 0 "[ . 1 . 2]" 1
70 1 60 VAL MG1 1 66 ILE MD 3.620 . 5.440 4.267 3.858 4.969 . 0 0 "[ . 1 . 2]" 1
71 1 33 THR MG 1 87 LEU MD2 3.800 . 5.800 4.847 4.553 5.221 . 0 0 "[ . 1 . 2]" 1
72 1 85 VAL MG2 1 87 LEU MD2 3.910 . 6.020 3.014 2.619 3.321 . 0 0 "[ . 1 . 2]" 1
73 1 32 LEU MD1 1 66 ILE MD 3.640 . 5.480 4.956 4.422 5.391 . 0 0 "[ . 1 . 2]" 1
74 1 66 ILE MG 1 68 VAL HB 3.580 . 5.360 3.121 2.808 3.531 . 0 0 "[ . 1 . 2]" 1
75 1 32 LEU MD1 1 56 ILE MG 3.590 . 5.380 2.724 2.508 2.912 . 0 0 "[ . 1 . 2]" 1
76 1 7 ALA MB 1 9 LEU MD2 3.610 . 5.420 2.208 2.080 2.366 . 0 0 "[ . 1 . 2]" 1
77 1 28 ALA MB 1 83 LEU MD1 3.730 . 5.660 4.684 4.380 5.056 . 0 0 "[ . 1 . 2]" 1
78 1 30 LEU MD1 1 83 LEU MD1 3.970 . 6.140 4.637 3.985 4.991 . 0 0 "[ . 1 . 2]" 1
79 1 32 LEU MD2 1 66 ILE MD 3.630 . 5.460 4.566 4.177 4.997 . 0 0 "[ . 1 . 2]" 1
80 1 56 ILE MG 1 85 VAL MG2 3.600 . 5.400 3.876 3.541 4.156 . 0 0 "[ . 1 . 2]" 1
81 1 68 VAL MG2 1 83 LEU MD1 3.570 . 5.340 3.876 3.651 4.343 . 0 0 "[ . 1 . 2]" 1
82 1 34 LEU MD2 1 37 ALA MB 3.630 . 5.460 3.236 2.661 3.646 . 0 0 "[ . 1 . 2]" 1
83 1 60 VAL MG2 1 87 LEU MD1 3.760 . 5.720 3.471 2.656 4.029 . 0 0 "[ . 1 . 2]" 1
84 1 68 VAL MG2 1 71 MET ME 3.210 . 4.620 3.633 3.029 4.446 . 0 0 "[ . 1 . 2]" 1
85 1 52 VAL MG1 1 71 MET ME 2.930 . 4.060 2.923 1.894 4.097 0.037 17 0 "[ . 1 . 2]" 1
86 1 52 VAL MG2 1 71 MET ME 2.930 . 4.060 2.383 1.856 3.716 . 0 0 "[ . 1 . 2]" 1
87 1 71 MET HB3 1 71 MET ME 3.350 . 4.900 2.986 1.824 4.317 . 0 0 "[ . 1 . 2]" 1
88 1 71 MET HB2 1 71 MET ME 3.620 . 5.440 3.795 2.943 4.337 . 0 0 "[ . 1 . 2]" 1
89 1 4 ILE HA 1 4 ILE MD 3.220 . 4.640 4.240 4.220 4.265 . 0 0 "[ . 1 . 2]" 1
90 1 4 ILE MD 1 31 PRO HD2 3.350 . 4.900 3.797 3.512 4.082 . 0 0 "[ . 1 . 2]" 1
91 1 4 ILE MD 1 31 PRO HD3 3.490 . 5.180 5.101 4.872 5.346 0.166 17 0 "[ . 1 . 2]" 1
92 1 4 ILE MD 1 43 ARG HD3 3.440 . 5.080 3.864 2.905 4.325 . 0 0 "[ . 1 . 2]" 1
93 1 4 ILE HB 1 4 ILE MD 2.770 . 3.740 2.463 2.424 2.592 . 0 0 "[ . 1 . 2]" 1
94 1 56 ILE H 1 56 ILE MD 3.000 . 4.200 3.491 3.400 3.628 . 0 0 "[ . 1 . 2]" 1
95 1 56 ILE HA 1 56 ILE MD 3.200 . 4.600 4.266 4.249 4.278 . 0 0 "[ . 1 . 2]" 1
96 1 56 ILE HB 1 56 ILE MD 2.810 . 3.820 2.591 2.513 2.651 . 0 0 "[ . 1 . 2]" 1
97 1 66 ILE H 1 66 ILE MD 3.170 . 4.540 3.742 3.583 4.020 . 0 0 "[ . 1 . 2]" 1
98 1 56 ILE H 1 66 ILE MD 3.760 . 5.720 4.191 3.911 4.559 . 0 0 "[ . 1 . 2]" 1
99 1 66 ILE MD 1 83 LEU H 4.090 . 6.380 5.459 4.908 5.789 . 0 0 "[ . 1 . 2]" 1
100 1 64 SER HB3 1 66 ILE MD 3.390 . 4.980 4.647 4.310 4.943 . 0 0 "[ . 1 . 2]" 1
101 1 66 ILE MD 1 85 VAL HB 3.340 . 4.880 4.047 3.646 4.369 . 0 0 "[ . 1 . 2]" 1
102 1 66 ILE MD 1 83 LEU HB2 2.970 . 4.140 3.456 2.854 3.853 . 0 0 "[ . 1 . 2]" 1
103 1 66 ILE HB 1 66 ILE MD 2.740 . 3.680 2.460 2.416 2.510 . 0 0 "[ . 1 . 2]" 1
104 1 66 ILE H 1 66 ILE MG 3.190 . 4.580 3.837 3.781 3.918 . 0 0 "[ . 1 . 2]" 1
105 1 66 ILE MG 1 67 ARG HA 3.300 . 4.800 4.235 3.876 4.367 . 0 0 "[ . 1 . 2]" 1
106 1 66 ILE HA 1 66 ILE MG 2.650 . 3.500 2.447 2.403 2.523 . 0 0 "[ . 1 . 2]" 1
107 1 66 ILE MG 1 83 LEU HB2 3.140 . 4.480 3.514 3.355 3.694 . 0 0 "[ . 1 . 2]" 1
108 1 66 ILE HG13 1 66 ILE MG 2.800 . 3.800 3.266 3.257 3.273 . 0 0 "[ . 1 . 2]" 1
109 1 66 ILE HG12 1 66 ILE MG 2.800 . 3.800 2.469 2.428 2.521 . 0 0 "[ . 1 . 2]" 1
110 1 4 ILE HA 1 4 ILE MG 2.780 . 3.760 2.471 2.404 2.537 . 0 0 "[ . 1 . 2]" 1
111 1 4 ILE HG13 1 4 ILE MG 2.840 . 3.880 3.245 3.229 3.253 . 0 0 "[ . 1 . 2]" 1
112 1 4 ILE HG12 1 4 ILE MG 2.840 . 3.880 2.470 2.430 2.586 . 0 0 "[ . 1 . 2]" 1
113 1 47 VAL HA 1 48 ALA MB 3.230 . 4.660 4.172 3.957 4.280 . 0 0 "[ . 1 . 2]" 1
114 1 48 ALA MB 1 50 ARG HB2 3.130 . 4.460 3.900 3.512 4.363 . 0 0 "[ . 1 . 2]" 1
115 1 8 LEU HG 1 48 ALA MB 3.390 . 4.980 4.802 4.236 5.103 0.123 12 0 "[ . 1 . 2]" 1
116 1 55 ARG HA 1 56 ILE MG 3.140 . 4.480 3.866 3.674 4.137 . 0 0 "[ . 1 . 2]" 1
117 1 56 ILE HA 1 56 ILE MG 2.790 . 3.780 2.418 2.396 2.457 . 0 0 "[ . 1 . 2]" 1
118 1 43 ARG HB2 1 56 ILE MG 3.620 . 5.440 3.711 3.119 4.257 . 0 0 "[ . 1 . 2]" 1
119 1 56 ILE HG12 1 56 ILE MG 2.870 . 3.940 2.571 2.508 2.628 . 0 0 "[ . 1 . 2]" 1
120 1 32 LEU MD2 1 56 ILE MG 2.740 . 3.680 2.840 2.647 3.092 . 0 0 "[ . 1 . 2]" 1
121 1 37 ALA MB 1 60 VAL H 3.540 . 5.280 4.327 3.963 4.724 . 0 0 "[ . 1 . 2]" 1
122 1 37 ALA MB 1 87 LEU HB2 3.600 . 5.400 4.956 4.716 5.221 . 0 0 "[ . 1 . 2]" 1
123 1 32 LEU HG 1 37 ALA MB 3.200 . 4.600 3.289 3.078 3.707 . 0 0 "[ . 1 . 2]" 1
124 1 32 LEU HB3 1 37 ALA MB 3.070 . 4.340 3.786 3.358 4.167 . 0 0 "[ . 1 . 2]" 1
125 1 37 ALA MB 1 87 LEU MD1 2.630 . 3.460 2.220 1.989 2.473 . 0 0 "[ . 1 . 2]" 1
126 1 4 ILE HA 1 5 ALA MB 3.130 . 4.460 3.965 3.818 4.060 . 0 0 "[ . 1 . 2]" 1
127 1 7 ALA MB 1 29 GLU H 2.900 . 4.000 1.981 1.756 2.286 0.044 2 0 "[ . 1 . 2]" 1
128 1 7 ALA MB 1 9 LEU HG 2.890 . 3.980 2.514 2.210 2.831 . 0 0 "[ . 1 . 2]" 1
129 1 59 GLY H 1 60 VAL MG1 3.410 . 5.020 3.434 3.250 3.704 . 0 0 "[ . 1 . 2]" 1
130 1 60 VAL MG1 1 61 ARG H 3.210 . 4.620 4.024 3.771 4.261 . 0 0 "[ . 1 . 2]" 1
131 1 37 ALA HA 1 60 VAL MG1 2.710 . 3.620 2.113 1.943 2.467 . 0 0 "[ . 1 . 2]" 1
132 1 60 VAL MG1 1 61 ARG HG3 3.560 . 5.320 4.957 4.596 5.381 0.061 13 0 "[ . 1 . 2]" 1
133 1 37 ALA MB 1 60 VAL MG1 2.790 . 3.780 2.958 2.507 3.244 . 0 0 "[ . 1 . 2]" 1
134 1 32 LEU MD2 1 60 VAL MG1 2.650 . 3.500 2.126 2.058 2.234 . 0 0 "[ . 1 . 2]" 1
135 1 45 VAL MG1 1 52 VAL H 3.260 . 4.730 3.890 2.918 4.731 0.001 11 0 "[ . 1 . 2]" 1
136 1 45 VAL MG1 1 46 GLU H 3.280 . 4.760 3.444 2.703 4.331 . 0 0 "[ . 1 . 2]" 1
137 1 67 ARG HA 1 68 VAL MG1 3.220 . 4.640 3.787 3.688 3.985 . 0 0 "[ . 1 . 2]" 1
138 1 68 VAL MG1 1 81 LEU HA 3.250 . 4.700 4.339 4.258 4.489 . 0 0 "[ . 1 . 2]" 1
139 1 68 VAL HA 1 68 VAL MG1 2.790 . 3.780 3.272 3.253 3.285 . 0 0 "[ . 1 . 2]" 1
140 1 68 VAL MG1 1 69 PRO HD3 3.640 . 5.480 4.905 4.627 5.033 . 0 0 "[ . 1 . 2]" 1
141 1 68 VAL MG1 1 71 MET HB2 3.050 . 4.300 2.276 2.061 2.820 . 0 0 "[ . 1 . 2]" 1
142 1 28 ALA MB 1 68 VAL MG1 3.680 . 5.560 5.078 4.768 5.418 . 0 0 "[ . 1 . 2]" 1
143 1 52 VAL H 1 52 VAL MG2 3.050 . 4.290 3.515 2.357 4.031 . 0 0 "[ . 1 . 2]" 1
144 1 52 VAL HA 1 52 VAL MG2 2.670 . 3.540 2.470 2.392 2.599 . 0 0 "[ . 1 . 2]" 1
145 1 54 VAL MG2 1 55 ARG H 3.370 . 4.940 3.375 2.715 4.335 . 0 0 "[ . 1 . 2]" 1
146 1 45 VAL MG2 1 52 VAL H 3.260 . 4.730 4.619 4.114 4.840 0.110 17 0 "[ . 1 . 2]" 1
147 1 52 VAL H 1 52 VAL MG1 3.050 . 4.290 2.741 2.061 3.936 . 0 0 "[ . 1 . 2]" 1
148 1 45 VAL H 1 45 VAL MG2 3.080 . 4.360 3.054 2.317 3.948 . 0 0 "[ . 1 . 2]" 1
149 1 44 VAL MG2 1 45 VAL H 2.980 . 4.160 4.066 3.849 4.230 0.070 11 0 "[ . 1 . 2]" 1
150 1 44 VAL MG2 1 53 SER HA 2.890 . 3.980 3.461 2.875 4.051 0.071 11 0 "[ . 1 . 2]" 1
151 1 44 VAL HA 1 44 VAL MG2 2.690 . 3.580 2.409 2.367 2.479 . 0 0 "[ . 1 . 2]" 1
152 1 44 VAL MG2 1 51 ARG HG3 3.080 . 4.360 3.998 3.348 4.386 0.026 15 0 "[ . 1 . 2]" 1
153 1 65 VAL HA 1 65 VAL MG2 2.730 . 3.660 2.471 2.414 2.513 . 0 0 "[ . 1 . 2]" 1
154 1 65 VAL MG2 1 84 VAL HA 3.240 . 4.680 2.974 2.553 3.636 . 0 0 "[ . 1 . 2]" 1
155 1 60 VAL H 1 60 VAL MG2 3.050 . 4.300 3.815 3.779 3.859 . 0 0 "[ . 1 . 2]" 1
156 1 60 VAL MG2 1 64 SER HA 3.300 . 4.800 4.644 4.490 4.916 0.116 4 0 "[ . 1 . 2]" 1
157 1 60 VAL HA 1 60 VAL MG2 2.700 . 3.600 2.451 2.410 2.499 . 0 0 "[ . 1 . 2]" 1
158 1 60 VAL MG2 1 64 SER HB2 2.840 . 3.880 2.688 2.216 3.043 . 0 0 "[ . 1 . 2]" 1
159 1 60 VAL MG2 1 61 ARG HG3 3.560 . 5.320 4.982 4.809 5.268 . 0 0 "[ . 1 . 2]" 1
160 1 3 THR MG 1 44 VAL H 3.580 . 5.360 3.814 3.218 4.466 . 0 0 "[ . 1 . 2]" 1
161 1 3 THR HA 1 3 THR MG 2.780 . 3.760 2.411 2.254 2.488 . 0 0 "[ . 1 . 2]" 1
162 1 3 THR MG 1 44 VAL HB 3.280 . 4.760 2.474 2.035 3.129 . 0 0 "[ . 1 . 2]" 1
163 1 65 VAL HA 1 65 VAL MG1 2.730 . 3.660 2.637 2.407 3.267 . 0 0 "[ . 1 . 2]" 1
164 1 44 VAL HA 1 44 VAL MG1 2.800 . 3.800 2.507 2.430 2.558 . 0 0 "[ . 1 . 2]" 1
165 1 65 VAL MG1 1 84 VAL HA 3.240 . 4.680 3.832 3.339 4.779 0.099 20 0 "[ . 1 . 2]" 1
166 1 44 VAL MG1 1 51 ARG HG3 2.650 . 3.500 2.047 1.763 2.304 0.037 10 0 "[ . 1 . 2]" 1
167 1 44 VAL MG1 1 51 ARG HG2 2.820 . 3.850 2.760 2.442 3.252 . 0 0 "[ . 1 . 2]" 1
168 1 32 LEU H 1 85 VAL MG1 3.690 . 5.580 5.641 5.480 5.725 0.145 18 0 "[ . 1 . 2]" 1
169 1 64 SER H 1 85 VAL MG1 2.800 . 3.800 1.985 1.837 2.069 . 0 0 "[ . 1 . 2]" 1
170 1 85 VAL HA 1 85 VAL MG1 2.840 . 3.880 3.251 3.242 3.260 . 0 0 "[ . 1 . 2]" 1
171 1 62 GLU HA 1 85 VAL MG1 3.040 . 4.280 2.195 2.054 2.432 . 0 0 "[ . 1 . 2]" 1
172 1 64 SER HB2 1 85 VAL MG1 3.300 . 4.800 2.598 1.814 3.012 . 0 0 "[ . 1 . 2]" 1
173 1 87 LEU H 1 87 LEU MD2 3.230 . 4.660 3.931 3.718 4.297 . 0 0 "[ . 1 . 2]" 1
174 1 62 GLU H 1 87 LEU MD2 3.670 . 5.540 5.095 4.857 5.634 0.094 12 0 "[ . 1 . 2]" 1
175 1 87 LEU HA 1 87 LEU MD2 2.630 . 3.460 1.991 1.878 2.077 . 0 0 "[ . 1 . 2]" 1
176 1 33 THR HB 1 87 LEU MD2 3.910 . 6.020 5.663 5.296 6.083 0.063 16 0 "[ . 1 . 2]" 1
177 1 61 ARG HA 1 87 LEU MD2 3.430 . 5.060 4.580 4.234 4.996 . 0 0 "[ . 1 . 2]" 1
178 1 34 LEU HA 1 87 LEU MD2 2.920 . 4.040 3.191 2.636 3.696 . 0 0 "[ . 1 . 2]" 1
179 1 87 LEU HB2 1 87 LEU MD2 2.810 . 3.820 3.248 3.230 3.260 . 0 0 "[ . 1 . 2]" 1
180 1 37 ALA MB 1 87 LEU MD2 2.450 . 3.100 2.007 1.781 2.242 0.019 14 0 "[ . 1 . 2]" 1
181 1 83 LEU HA 1 83 LEU MD2 2.740 . 3.680 2.154 2.030 2.261 . 0 0 "[ . 1 . 2]" 1
182 1 28 ALA HA 1 83 LEU MD2 3.650 . 5.500 4.773 4.523 5.228 . 0 0 "[ . 1 . 2]" 1
183 1 28 ALA MB 1 83 LEU MD2 2.530 . 3.260 2.257 1.922 2.628 . 0 0 "[ . 1 . 2]" 1
184 1 82 LEU H 1 82 LEU MD2 3.120 . 4.440 3.441 3.234 3.700 . 0 0 "[ . 1 . 2]" 1
185 1 82 LEU H 1 82 LEU MD1 3.430 . 5.060 3.743 3.533 3.976 . 0 0 "[ . 1 . 2]" 1
186 1 28 ALA H 1 82 LEU MD1 3.480 . 5.160 4.844 4.017 5.186 0.026 10 0 "[ . 1 . 2]" 1
187 1 27 ARG HA 1 82 LEU MD1 3.300 . 4.800 3.375 2.450 3.756 . 0 0 "[ . 1 . 2]" 1
188 1 25 ASP HA 1 82 LEU MD2 3.690 . 5.580 5.093 4.484 5.736 0.156 11 0 "[ . 1 . 2]" 1
189 1 67 ARG HA 1 82 LEU MD2 2.850 . 3.900 2.755 2.167 3.167 . 0 0 "[ . 1 . 2]" 1
190 1 82 LEU HB2 1 82 LEU MD1 2.700 . 3.600 2.376 2.327 2.410 . 0 0 "[ . 1 . 2]" 1
191 1 82 LEU HB3 1 82 LEU MD2 2.890 . 3.980 2.452 2.383 2.499 . 0 0 "[ . 1 . 2]" 1
192 1 34 LEU H 1 34 LEU MD1 2.920 . 4.040 3.682 3.576 3.770 . 0 0 "[ . 1 . 2]" 1
193 1 26 LEU HB3 1 26 LEU MD1 3.210 . 4.620 2.493 2.410 2.627 . 0 0 "[ . 1 . 2]" 1
194 1 87 LEU H 1 87 LEU MD1 3.190 . 4.580 4.003 3.714 4.152 . 0 0 "[ . 1 . 2]" 1
195 1 32 LEU H 1 87 LEU MD1 3.850 . 5.900 5.330 4.822 5.544 . 0 0 "[ . 1 . 2]" 1
196 1 87 LEU HA 1 87 LEU MD1 3.090 . 4.380 3.880 3.848 3.927 . 0 0 "[ . 1 . 2]" 1
197 1 34 LEU HA 1 87 LEU MD1 3.540 . 5.280 4.546 3.696 5.126 . 0 0 "[ . 1 . 2]" 1
198 1 62 GLU HB3 1 87 LEU MD1 3.490 . 5.180 4.577 3.974 5.218 0.038 10 0 "[ . 1 . 2]" 1
199 1 87 LEU HB2 1 87 LEU MD1 2.720 . 3.640 2.362 2.316 2.405 . 0 0 "[ . 1 . 2]" 1
200 1 32 LEU HB3 1 87 LEU MD1 2.790 . 3.780 3.763 3.066 3.987 0.207 3 0 "[ . 1 . 2]" 1
201 1 8 LEU H 1 8 LEU MD1 3.380 . 4.950 4.491 4.419 4.579 . 0 0 "[ . 1 . 2]" 1
202 1 8 LEU HA 1 8 LEU MD1 3.070 . 4.340 3.900 3.866 3.933 . 0 0 "[ . 1 . 2]" 1
203 1 7 ALA H 1 28 ALA MB 2.860 . 3.920 3.402 3.003 3.738 . 0 0 "[ . 1 . 2]" 1
204 1 27 ARG HA 1 28 ALA MB 3.360 . 4.920 3.863 3.698 3.997 . 0 0 "[ . 1 . 2]" 1
205 1 28 ALA MB 1 83 LEU HA 3.250 . 4.700 3.177 2.756 3.570 . 0 0 "[ . 1 . 2]" 1
206 1 8 LEU HA 1 28 ALA MB 2.860 . 3.920 2.413 2.076 2.935 . 0 0 "[ . 1 . 2]" 1
207 1 83 LEU H 1 83 LEU MD1 3.140 . 4.480 3.798 3.681 3.876 . 0 0 "[ . 1 . 2]" 1
208 1 83 LEU HA 1 83 LEU MD1 3.270 . 4.740 3.950 3.899 4.004 . 0 0 "[ . 1 . 2]" 1
209 1 83 LEU HB2 1 83 LEU MD1 2.870 . 3.940 2.383 2.338 2.410 . 0 0 "[ . 1 . 2]" 1
210 1 30 LEU HB3 1 83 LEU MD1 3.380 . 4.960 4.536 3.839 5.022 0.062 20 0 "[ . 1 . 2]" 1
211 1 83 LEU HB3 1 83 LEU MD1 2.890 . 3.980 2.436 2.390 2.500 . 0 0 "[ . 1 . 2]" 1
212 1 32 LEU MD2 1 33 THR H 3.410 . 5.020 4.066 3.904 4.346 . 0 0 "[ . 1 . 2]" 1
213 1 32 LEU H 1 32 LEU MD2 3.400 . 5.000 4.419 4.370 4.462 . 0 0 "[ . 1 . 2]" 1
214 1 32 LEU MD2 1 59 GLY H 3.880 . 5.960 5.770 5.431 5.946 . 0 0 "[ . 1 . 2]" 1
215 1 32 LEU MD2 1 37 ALA HA 2.830 . 3.860 2.401 2.235 2.667 . 0 0 "[ . 1 . 2]" 1
216 1 32 LEU MD2 1 85 VAL HB 3.230 . 4.660 3.939 3.623 4.206 . 0 0 "[ . 1 . 2]" 1
217 1 30 LEU H 1 30 LEU MD2 3.270 . 4.740 3.707 3.597 4.500 . 0 0 "[ . 1 . 2]" 1
218 1 30 LEU HB3 1 30 LEU MD2 2.710 . 3.620 2.249 2.231 2.359 . 0 0 "[ . 1 . 2]" 1
219 1 71 MET HB3 1 81 LEU MD2 2.820 . 3.850 2.172 1.987 2.842 . 0 0 "[ . 1 . 2]" 1
220 1 28 ALA MB 1 81 LEU MD2 2.690 . 3.580 3.220 2.805 3.541 . 0 0 "[ . 1 . 2]" 1
221 1 6 LEU MD2 1 29 GLU H 3.770 . 5.740 4.527 4.360 4.737 . 0 0 "[ . 1 . 2]" 1
222 1 6 LEU H 1 6 LEU MD2 3.410 . 5.020 4.343 4.090 4.728 . 0 0 "[ . 1 . 2]" 1
223 1 6 LEU MD2 1 28 ALA MB 2.930 . 4.060 2.095 1.976 2.221 . 0 0 "[ . 1 . 2]" 1
224 1 9 LEU HA 1 9 LEU MD2 2.580 . 3.360 2.204 2.096 2.313 . 0 0 "[ . 1 . 2]" 1
225 1 6 LEU MD1 1 29 GLU H 3.460 . 5.120 3.187 2.980 3.429 . 0 0 "[ . 1 . 2]" 1
226 1 6 LEU HA 1 6 LEU MD1 2.740 . 3.680 1.988 1.883 2.055 . 0 0 "[ . 1 . 2]" 1
227 1 6 LEU MD1 1 31 PRO HD3 3.200 . 4.600 4.391 4.144 4.539 . 0 0 "[ . 1 . 2]" 1
228 1 6 LEU MD1 1 83 LEU HB2 3.840 . 5.880 4.719 4.461 4.910 . 0 0 "[ . 1 . 2]" 1
229 1 6 LEU HB2 1 6 LEU MD1 2.990 . 4.180 2.459 2.422 2.496 . 0 0 "[ . 1 . 2]" 1
230 1 85 VAL H 1 85 VAL MG2 3.010 . 4.220 3.810 3.774 3.832 . 0 0 "[ . 1 . 2]" 1
231 1 85 VAL MG2 1 86 ARG H 2.890 . 3.980 2.536 2.259 2.750 . 0 0 "[ . 1 . 2]" 1
232 1 85 VAL MG2 1 86 ARG HA 3.330 . 4.860 3.991 3.742 4.250 . 0 0 "[ . 1 . 2]" 1
233 1 61 ARG HA 1 85 VAL MG2 3.420 . 5.040 4.384 3.690 5.033 . 0 0 "[ . 1 . 2]" 1
234 1 85 VAL HA 1 85 VAL MG2 2.710 . 3.620 2.373 2.333 2.419 . 0 0 "[ . 1 . 2]" 1
235 1 62 GLU HA 1 85 VAL MG2 3.140 . 4.480 3.710 3.384 4.033 . 0 0 "[ . 1 . 2]" 1
236 1 64 SER HB3 1 85 VAL MG2 3.240 . 4.680 4.274 3.769 4.974 0.294 6 0 "[ . 1 . 2]" 1
237 1 32 LEU MD2 1 85 VAL MG2 2.370 . 2.940 2.127 2.053 2.319 . 0 0 "[ . 1 . 2]" 1
238 1 68 VAL H 1 68 VAL MG2 3.160 . 4.520 3.909 3.859 3.967 . 0 0 "[ . 1 . 2]" 1
239 1 68 VAL HA 1 68 VAL MG2 2.690 . 3.580 2.441 2.408 2.538 . 0 0 "[ . 1 . 2]" 1
240 1 68 VAL MG2 1 69 PRO HD2 2.880 . 3.960 2.925 2.362 3.486 . 0 0 "[ . 1 . 2]" 1
241 1 68 VAL MG2 1 71 MET HB2 2.790 . 3.780 2.868 2.065 3.317 . 0 0 "[ . 1 . 2]" 1
242 1 34 LEU HA 1 34 LEU MD2 2.770 . 3.740 2.086 1.982 2.183 . 0 0 "[ . 1 . 2]" 1
243 1 34 LEU HB2 1 34 LEU MD2 3.150 . 4.500 3.264 3.252 3.277 . 0 0 "[ . 1 . 2]" 1
244 1 34 LEU MD2 1 87 LEU MD2 2.910 . 4.020 2.553 1.802 3.253 . 0 0 "[ . 1 . 2]" 1
245 1 8 LEU HA 1 8 LEU MD2 2.610 . 3.420 2.018 1.966 2.084 . 0 0 "[ . 1 . 2]" 1
246 1 11 LEU HA 1 11 LEU MD1 3.110 . 4.420 3.349 1.905 4.210 . 0 0 "[ . 1 . 2]" 1
247 1 26 LEU HA 1 26 LEU MD2 3.040 . 4.280 2.843 2.651 3.066 . 0 0 "[ . 1 . 2]" 1
248 1 26 LEU HB3 1 26 LEU MD2 3.210 . 4.620 2.446 2.359 2.523 . 0 0 "[ . 1 . 2]" 1
249 1 32 LEU H 1 32 LEU MD1 3.310 . 4.820 4.285 4.242 4.317 . 0 0 "[ . 1 . 2]" 1
250 1 32 LEU HA 1 32 LEU MD1 2.660 . 3.520 2.110 2.063 2.167 . 0 0 "[ . 1 . 2]" 1
251 1 32 LEU MD1 1 36 GLU HB2 2.970 . 4.140 2.450 2.265 2.622 . 0 0 "[ . 1 . 2]" 1
252 1 32 LEU HB2 1 32 LEU MD1 2.580 . 3.360 2.399 2.362 2.426 . 0 0 "[ . 1 . 2]" 1
253 1 28 ALA H 1 81 LEU MD1 3.140 . 4.480 3.976 3.745 4.193 . 0 0 "[ . 1 . 2]" 1
254 1 71 MET HB3 1 81 LEU MD1 3.080 . 4.360 4.106 3.849 4.338 . 0 0 "[ . 1 . 2]" 1
255 1 81 LEU HB2 1 81 LEU MD1 2.820 . 3.840 2.443 2.411 2.465 . 0 0 "[ . 1 . 2]" 1
256 1 28 ALA MB 1 81 LEU MD1 2.520 . 3.240 2.102 1.943 2.330 . 0 0 "[ . 1 . 2]" 1
257 1 71 MET HA 1 71 MET ME 2.780 . 3.760 3.449 2.533 3.945 0.185 7 0 "[ . 1 . 2]" 1
258 1 52 VAL HA 1 71 MET ME 3.190 . 4.580 4.030 3.117 4.689 0.109 13 0 "[ . 1 . 2]" 1
259 1 47 VAL HA 1 48 ALA HA 3.340 . 4.880 4.398 4.326 4.453 . 0 0 "[ . 1 . 2]" 1
260 1 3 THR MG 1 4 ILE HA 3.520 . 5.240 4.033 3.722 5.468 0.228 14 0 "[ . 1 . 2]" 1
261 1 66 ILE HA 1 66 ILE HG13 3.200 . 4.600 3.132 3.063 3.203 . 0 0 "[ . 1 . 2]" 1
262 1 66 ILE HA 1 66 ILE HG12 3.200 . 4.600 2.668 2.586 2.762 . 0 0 "[ . 1 . 2]" 1
263 1 54 VAL HB 1 66 ILE MD 2.930 . 4.070 3.853 2.615 4.343 0.273 6 0 "[ . 1 . 2]" 1
264 1 33 THR HA 1 33 THR MG 3.030 . 4.260 3.216 2.489 3.263 . 0 0 "[ . 1 . 2]" 1
265 1 33 THR HA 1 34 LEU MD2 3.820 . 5.840 4.151 3.581 4.537 . 0 0 "[ . 1 . 2]" 1
266 1 66 ILE HB 1 67 ARG HA 3.730 . 5.660 5.063 4.724 5.221 . 0 0 "[ . 1 . 2]" 1
267 1 71 MET HB3 1 81 LEU HB2 3.110 . 4.420 3.102 1.897 3.467 . 0 0 "[ . 1 . 2]" 1
268 1 71 MET HB3 1 81 LEU HB3 3.160 . 4.520 3.372 2.187 3.692 . 0 0 "[ . 1 . 2]" 1
269 1 6 LEU MD1 1 30 LEU HB3 3.140 . 4.480 2.033 1.868 3.651 . 0 0 "[ . 1 . 2]" 1
270 1 26 LEU HB2 1 26 LEU MD2 3.210 . 4.620 3.266 3.245 3.283 . 0 0 "[ . 1 . 2]" 1
271 1 32 LEU HB2 1 32 LEU MD2 2.960 . 4.120 2.517 2.472 2.575 . 0 0 "[ . 1 . 2]" 1
272 1 30 LEU HB3 1 83 LEU HB3 3.380 . 4.960 4.087 3.204 4.909 . 0 0 "[ . 1 . 2]" 1
273 1 82 LEU HB3 1 82 LEU MD1 2.890 . 3.980 2.462 2.417 2.526 . 0 0 "[ . 1 . 2]" 1
274 1 87 LEU HB3 1 87 LEU MD1 3.020 . 4.240 2.460 2.369 2.525 . 0 0 "[ . 1 . 2]" 1
275 1 87 LEU HB3 1 87 LEU MD2 3.220 . 4.640 2.416 2.350 2.503 . 0 0 "[ . 1 . 2]" 1
276 1 34 LEU HB3 1 34 LEU MD2 3.150 . 4.500 2.482 2.418 2.528 . 0 0 "[ . 1 . 2]" 1
277 1 27 ARG HA 1 82 LEU HB2 3.390 . 4.980 2.339 1.978 2.714 . 0 0 "[ . 1 . 2]" 1
278 1 85 VAL MG2 1 87 LEU HB2 3.420 . 5.040 4.053 3.315 4.570 . 0 0 "[ . 1 . 2]" 1
279 1 85 VAL MG1 1 87 LEU HB2 3.260 . 4.720 4.264 3.510 4.759 0.039 13 0 "[ . 1 . 2]" 1
280 1 66 ILE HB 1 83 LEU HB2 3.140 . 4.480 1.961 1.739 2.178 0.061 12 0 "[ . 1 . 2]" 1
281 1 8 LEU H 1 8 LEU HB2 3.140 . 4.480 3.457 3.323 3.551 . 0 0 "[ . 1 . 2]" 1
282 1 88 LEU H 1 88 LEU HB3 3.080 . 4.360 3.588 3.551 3.651 . 0 0 "[ . 1 . 2]" 1
283 1 8 LEU HA 1 28 ALA HA 3.140 . 4.480 3.041 2.782 3.474 . 0 0 "[ . 1 . 2]" 1
284 1 9 LEU HG 1 28 ALA HA 3.110 . 4.420 2.884 2.425 3.369 . 0 0 "[ . 1 . 2]" 1
285 1 8 LEU MD2 1 28 ALA HA 3.360 . 4.920 3.880 3.512 4.276 . 0 0 "[ . 1 . 2]" 1
286 1 30 LEU HA 1 31 PRO HB3 4.220 . 6.640 5.011 4.915 5.212 . 0 0 "[ . 1 . 2]" 1
287 1 6 LEU MD1 1 30 LEU HA 3.010 . 4.220 2.553 2.218 2.651 . 0 0 "[ . 1 . 2]" 1
288 1 30 LEU HA 1 30 LEU MD1 2.840 . 3.880 3.690 2.101 3.818 . 0 0 "[ . 1 . 2]" 1
289 1 7 ALA HA 1 8 LEU H 2.860 . 3.920 3.553 3.516 3.584 . 0 0 "[ . 1 . 2]" 1
290 1 30 LEU HA 1 31 PRO HD2 2.940 . 4.080 2.015 1.873 2.172 . 0 0 "[ . 1 . 2]" 1
291 1 6 LEU MD1 1 31 PRO HD2 3.110 . 4.420 4.025 3.464 4.218 . 0 0 "[ . 1 . 2]" 1
292 1 30 LEU MD1 1 31 PRO HD2 3.070 . 4.340 4.452 2.601 4.724 0.384 16 0 "[ . 1 . 2]" 1
293 1 30 LEU HA 1 31 PRO HD3 2.900 . 4.000 2.528 2.353 2.807 . 0 0 "[ . 1 . 2]" 1
294 1 88 LEU HA 1 89 PRO HD2 2.780 . 3.760 2.524 2.167 2.777 . 0 0 "[ . 1 . 2]" 1
295 1 88 LEU HB3 1 89 PRO HD2 3.030 . 4.260 2.877 2.123 3.821 . 0 0 "[ . 1 . 2]" 1
296 1 88 LEU HA 1 89 PRO HD3 2.780 . 3.760 2.273 1.935 2.538 . 0 0 "[ . 1 . 2]" 1
297 1 88 LEU HB3 1 89 PRO HD3 3.030 . 4.260 3.904 3.407 4.352 0.092 20 0 "[ . 1 . 2]" 1
298 1 68 VAL HA 1 69 PRO HD2 2.780 . 3.760 2.227 1.980 2.746 . 0 0 "[ . 1 . 2]" 1
299 1 68 VAL HA 1 69 PRO HD3 2.750 . 3.700 2.399 1.873 2.708 . 0 0 "[ . 1 . 2]" 1
300 1 68 VAL MG2 1 69 PRO HD3 3.320 . 4.840 3.967 3.434 4.329 . 0 0 "[ . 1 . 2]" 1
301 1 26 LEU HA 1 82 LEU H 3.750 . 5.700 5.218 5.013 5.422 . 0 0 "[ . 1 . 2]" 1
302 1 26 LEU HA 1 26 LEU MD1 3.040 . 4.280 3.845 3.684 3.911 . 0 0 "[ . 1 . 2]" 1
303 1 32 LEU HA 1 36 GLU HB2 3.410 . 5.020 4.721 4.474 4.901 . 0 0 "[ . 1 . 2]" 1
304 1 87 LEU HA 1 88 LEU HG 3.250 . 4.700 3.777 3.557 4.036 . 0 0 "[ . 1 . 2]" 1
305 1 85 VAL MG2 1 87 LEU HA 3.650 . 5.500 4.178 3.834 4.594 . 0 0 "[ . 1 . 2]" 1
306 1 68 VAL MG1 1 71 MET HA 3.750 . 5.700 4.925 4.730 5.261 . 0 0 "[ . 1 . 2]" 1
307 1 72 GLY H 1 80 ASP HA 3.260 . 4.720 3.339 2.702 3.783 . 0 0 "[ . 1 . 2]" 1
308 1 71 MET H 1 80 ASP HA 3.110 . 4.420 3.523 2.759 4.136 . 0 0 "[ . 1 . 2]" 1
309 1 69 PRO HB3 1 80 ASP HA 3.150 . 4.510 3.960 3.573 4.405 . 0 0 "[ . 1 . 2]" 1
310 1 51 ARG HA 1 52 VAL HB 3.950 . 6.100 4.830 4.646 5.012 . 0 0 "[ . 1 . 2]" 1
311 1 42 GLU HA 1 42 GLU HG2 3.200 . 4.600 3.726 3.624 3.791 . 0 0 "[ . 1 . 2]" 1
312 1 25 ASP HA 1 79 GLY HA2 3.720 . 5.640 4.743 4.160 5.292 . 0 0 "[ . 1 . 2]" 1
313 1 46 GLU HA 1 51 ARG HA 3.050 . 4.290 2.460 2.036 2.866 . 0 0 "[ . 1 . 2]" 1
314 1 11 LEU HA 1 11 LEU MD2 3.110 . 4.420 3.451 1.989 4.197 . 0 0 "[ . 1 . 2]" 1
315 1 24 ARG HA 1 24 ARG HD2 3.880 . 5.960 4.558 3.335 5.113 . 0 0 "[ . 1 . 2]" 1
316 1 24 ARG HA 1 24 ARG HD3 3.880 . 5.960 4.332 2.559 5.038 . 0 0 "[ . 1 . 2]" 1
317 1 42 GLU HA 1 55 ARG HA 2.980 . 4.160 2.277 2.066 2.798 . 0 0 "[ . 1 . 2]" 1
318 1 49 GLY H 1 50 ARG HA 3.970 . 6.140 5.182 5.060 5.309 . 0 0 "[ . 1 . 2]" 1
319 1 43 ARG HA 1 44 VAL MG2 3.360 . 4.920 3.597 3.234 3.816 . 0 0 "[ . 1 . 2]" 1
320 1 61 ARG HA 1 62 GLU H 2.810 . 3.820 2.323 2.228 2.425 . 0 0 "[ . 1 . 2]" 1
321 1 37 ALA MB 1 61 ARG HA 3.300 . 4.800 4.281 3.755 4.778 . 0 0 "[ . 1 . 2]" 1
322 1 60 VAL MG1 1 61 ARG HA 3.230 . 4.660 4.230 3.941 4.566 . 0 0 "[ . 1 . 2]" 1
323 1 61 ARG HA 1 87 LEU MD1 2.890 . 3.980 1.930 1.725 2.300 0.075 19 0 "[ . 1 . 2]" 1
324 1 61 ARG HA 1 85 VAL MG1 3.140 . 4.480 3.867 3.403 4.280 . 0 0 "[ . 1 . 2]" 1
325 1 37 ALA HA 1 59 GLY H 3.340 . 4.880 4.361 3.926 4.697 . 0 0 "[ . 1 . 2]" 1
326 1 34 LEU HA 1 34 LEU HG 3.090 . 4.380 3.180 3.045 3.320 . 0 0 "[ . 1 . 2]" 1
327 1 62 GLU HA 1 63 GLY HA2 3.410 . 5.020 4.416 4.386 4.450 . 0 0 "[ . 1 . 2]" 1
328 1 62 GLU HA 1 87 LEU MD1 3.630 . 5.460 3.640 3.232 4.176 . 0 0 "[ . 1 . 2]" 1
329 1 31 PRO HA 1 86 ARG HB2 2.990 . 4.180 1.870 1.715 2.056 0.085 19 0 "[ . 1 . 2]" 1
330 1 65 VAL HA 1 84 VAL HA 3.050 . 4.300 2.402 2.074 2.675 . 0 0 "[ . 1 . 2]" 1
331 1 84 VAL HA 1 85 VAL HB 3.330 . 4.860 4.502 4.285 4.624 . 0 0 "[ . 1 . 2]" 1
332 1 38 PHE HA 1 38 PHE HD1 3.330 . 4.860 3.039 2.960 3.113 . 0 0 "[ . 1 . 2]" 1
333 1 64 SER HA 1 65 VAL HB 3.610 . 5.420 4.707 4.609 4.778 . 0 0 "[ . 1 . 2]" 1
334 1 52 VAL HA 1 52 VAL MG1 2.670 . 3.540 3.023 2.394 3.291 . 0 0 "[ . 1 . 2]" 1
335 1 60 VAL HA 1 64 SER HB2 3.270 . 4.740 4.411 3.874 4.856 0.116 9 0 "[ . 1 . 2]" 1
336 1 69 PRO HA 1 80 ASP HA 3.210 . 4.620 1.980 1.782 2.325 0.018 3 0 "[ . 1 . 2]" 1
337 1 2 SER HB2 1 33 THR HB 3.830 . 5.860 2.890 2.023 4.568 . 0 0 "[ . 1 . 2]" 1
338 1 2 SER HB3 1 33 THR HB 3.830 . 5.860 3.610 2.045 5.765 . 0 0 "[ . 1 . 2]" 1
339 1 64 SER HB2 1 85 VAL MG2 3.350 . 4.900 4.667 3.789 5.091 0.191 10 0 "[ . 1 . 2]" 1
340 1 52 VAL HA 1 53 SER HB2 3.460 . 5.120 4.623 4.393 4.782 . 0 0 "[ . 1 . 2]" 1
341 1 52 VAL HA 1 53 SER HB3 3.460 . 5.120 4.668 4.511 4.854 . 0 0 "[ . 1 . 2]" 1
342 1 73 GLY H 1 79 GLY HA2 3.460 . 5.120 3.726 3.457 4.167 . 0 0 "[ . 1 . 2]" 1
343 1 40 GLY HA2 1 56 ILE MG 3.820 . 5.840 4.772 4.589 5.005 . 0 0 "[ . 1 . 2]" 1
344 1 62 GLU HA 1 63 GLY HA3 3.420 . 5.040 4.490 4.466 4.516 . 0 0 "[ . 1 . 2]" 1
345 1 4 ILE MD 1 43 ARG HD2 3.440 . 5.080 3.697 3.093 4.147 . 0 0 "[ . 1 . 2]" 1
346 1 35 GLU HA 1 38 PHE HB3 3.510 . 5.220 3.145 2.548 3.963 . 0 0 "[ . 1 . 2]" 1
347 1 40 GLY HA2 1 56 ILE HB 3.580 . 5.360 4.102 3.779 4.447 . 0 0 "[ . 1 . 2]" 1
348 1 32 LEU MD2 1 56 ILE HB 3.320 . 4.840 3.379 3.054 3.636 . 0 0 "[ . 1 . 2]" 1
349 1 54 VAL H 1 54 VAL HB 3.090 . 4.380 3.322 2.636 3.858 . 0 0 "[ . 1 . 2]" 1
350 1 45 VAL HB 1 46 GLU H 3.220 . 4.640 4.242 4.089 4.417 . 0 0 "[ . 1 . 2]" 1
351 1 30 LEU MD1 1 43 ARG HB2 3.640 . 5.480 5.509 5.222 5.711 0.231 17 0 "[ . 1 . 2]" 1
352 1 30 LEU MD1 1 43 ARG HB3 3.190 . 4.580 4.625 4.512 4.722 0.142 19 0 "[ . 1 . 2]" 1
353 1 61 ARG HB2 1 62 GLU H 3.140 . 4.480 3.765 3.620 3.983 . 0 0 "[ . 1 . 2]" 1
354 1 71 MET H 1 71 MET HG3 3.410 . 5.020 4.048 3.008 4.685 . 0 0 "[ . 1 . 2]" 1
355 1 60 VAL HB 1 64 SER HB2 3.630 . 5.460 5.242 4.842 5.500 0.040 7 0 "[ . 1 . 2]" 1
356 1 60 VAL HB 1 64 SER HB3 3.910 . 6.020 5.000 4.751 5.276 . 0 0 "[ . 1 . 2]" 1
357 1 74 GLN HG2 1 75 GLY H 4.030 . 6.260 5.068 4.699 5.319 . 0 0 "[ . 1 . 2]" 1
358 1 74 GLN HG3 1 75 GLY H 4.030 . 6.260 5.203 4.678 5.737 . 0 0 "[ . 1 . 2]" 1
359 1 64 SER HB3 1 85 VAL HB 3.070 . 4.340 3.582 3.097 4.268 . 0 0 "[ . 1 . 2]" 1
360 1 71 MET HB2 1 81 LEU HA 3.660 . 5.520 5.048 4.628 5.801 0.281 9 0 "[ . 1 . 2]" 1
361 1 31 PRO HA 1 86 ARG HB3 3.400 . 5.000 3.290 3.035 3.588 . 0 0 "[ . 1 . 2]" 1
362 1 84 VAL H 1 84 VAL HB 3.090 . 4.380 2.718 2.530 2.970 . 0 0 "[ . 1 . 2]" 1
363 1 29 GLU HB3 1 30 LEU H 3.320 . 4.840 3.830 3.392 4.253 . 0 0 "[ . 1 . 2]" 1
364 1 31 PRO HB3 1 86 ARG HB2 3.060 . 4.320 3.061 2.734 3.234 . 0 0 "[ . 1 . 2]" 1
365 1 31 PRO HB3 1 86 ARG HB3 3.200 . 4.600 3.885 3.432 4.258 . 0 0 "[ . 1 . 2]" 1
366 1 42 GLU HB2 1 43 ARG H 3.400 . 5.000 4.397 4.305 4.483 . 0 0 "[ . 1 . 2]" 1
367 1 3 THR HA 1 44 VAL HB 3.670 . 5.540 4.294 3.630 4.813 . 0 0 "[ . 1 . 2]" 1
368 1 44 VAL HB 1 51 ARG HG3 3.730 . 5.660 4.959 4.737 5.292 . 0 0 "[ . 1 . 2]" 1
369 1 4 ILE MG 1 31 PRO HB2 3.230 . 4.660 4.564 4.149 4.693 0.033 2 0 "[ . 1 . 2]" 1
370 1 50 ARG HB3 1 51 ARG HA 3.860 . 5.920 5.078 4.841 5.226 . 0 0 "[ . 1 . 2]" 1
371 1 62 GLU HB2 1 87 LEU MD1 3.490 . 5.180 3.843 3.296 4.518 . 0 0 "[ . 1 . 2]" 1
372 1 74 GLN H 1 74 GLN HB3 3.000 . 4.200 3.650 3.626 3.676 . 0 0 "[ . 1 . 2]" 1
373 1 74 GLN HB2 1 75 GLY H 3.340 . 4.880 3.898 3.410 4.369 . 0 0 "[ . 1 . 2]" 1
374 1 4 ILE MD 1 31 PRO HG2 3.110 . 4.420 4.506 4.039 4.679 0.259 12 0 "[ . 1 . 2]" 1
375 1 68 VAL HA 1 69 PRO HG3 3.330 . 4.860 4.423 4.037 4.540 . 0 0 "[ . 1 . 2]" 1
376 1 68 VAL HA 1 69 PRO HG2 3.370 . 4.940 4.357 4.186 4.556 . 0 0 "[ . 1 . 2]" 1
377 1 8 LEU H 1 8 LEU HG 3.170 . 4.540 3.076 2.976 3.207 . 0 0 "[ . 1 . 2]" 1
378 1 11 LEU H 1 11 LEU HG 3.220 . 4.640 3.109 1.924 4.622 . 0 0 "[ . 1 . 2]" 1
379 1 30 LEU MD1 1 43 ARG HG2 3.240 . 4.680 4.285 3.540 4.662 . 0 0 "[ . 1 . 2]" 1
380 1 86 ARG HA 1 86 ARG HG3 3.220 . 4.640 3.817 3.751 3.889 . 0 0 "[ . 1 . 2]" 1
381 1 31 PRO HB3 1 86 ARG HG3 3.140 . 4.480 4.311 3.883 4.560 0.080 9 0 "[ . 1 . 2]" 1
382 1 30 LEU MD1 1 43 ARG HG3 3.240 . 4.680 4.453 3.896 4.759 0.079 7 0 "[ . 1 . 2]" 1
383 1 55 ARG H 1 55 ARG HG2 3.550 . 5.300 4.476 4.368 4.580 . 0 0 "[ . 1 . 2]" 1
384 1 51 ARG H 1 51 ARG HG2 3.420 . 5.040 4.417 4.245 4.498 . 0 0 "[ . 1 . 2]" 1
385 1 81 LEU HA 1 82 LEU HG 3.240 . 4.680 3.900 3.702 4.073 . 0 0 "[ . 1 . 2]" 1
386 1 88 LEU HA 1 88 LEU HG 3.160 . 4.520 3.227 3.022 3.345 . 0 0 "[ . 1 . 2]" 1
387 1 51 ARG H 1 51 ARG HG3 3.550 . 5.300 4.637 4.542 4.742 . 0 0 "[ . 1 . 2]" 1
388 1 51 ARG HA 1 51 ARG HG3 3.220 . 4.640 2.658 2.487 2.789 . 0 0 "[ . 1 . 2]" 1
389 1 32 LEU MD2 1 56 ILE HG13 2.910 . 4.020 3.881 3.643 4.034 0.014 19 0 "[ . 1 . 2]" 1
390 1 61 ARG HB2 1 64 SER H 3.880 . 5.960 5.416 4.987 5.809 . 0 0 "[ . 1 . 2]" 1
391 1 64 SER H 1 85 VAL MG2 3.390 . 4.980 4.602 4.483 4.701 . 0 0 "[ . 1 . 2]" 1
392 1 64 SER H 1 85 VAL HB 3.160 . 4.520 4.419 4.229 4.565 0.045 13 0 "[ . 1 . 2]" 1
393 1 61 ARG HA 1 64 SER H 3.970 . 6.140 5.444 5.225 5.610 . 0 0 "[ . 1 . 2]" 1
394 1 2 SER H 1 33 THR HB 3.440 . 5.080 3.645 2.982 4.613 . 0 0 "[ . 1 . 2]" 1
395 1 35 GLU H 1 36 GLU H 2.840 . 3.880 2.633 2.482 2.759 . 0 0 "[ . 1 . 2]" 1
396 1 33 THR HA 1 35 GLU H 3.730 . 5.660 4.362 4.210 4.545 . 0 0 "[ . 1 . 2]" 1
397 1 34 LEU HB3 1 35 GLU H 3.000 . 4.200 3.854 3.749 4.062 . 0 0 "[ . 1 . 2]" 1
398 1 34 LEU HB2 1 35 GLU H 3.000 . 4.200 2.873 2.712 3.161 . 0 0 "[ . 1 . 2]" 1
399 1 33 THR MG 1 35 GLU H 3.220 . 4.640 2.407 2.083 2.667 . 0 0 "[ . 1 . 2]" 1
400 1 48 ALA H 1 49 GLY H 2.790 . 3.780 2.701 2.585 2.819 . 0 0 "[ . 1 . 2]" 1
401 1 47 VAL H 1 49 GLY H 3.320 . 4.840 3.933 3.416 4.395 . 0 0 "[ . 1 . 2]" 1
402 1 47 VAL HA 1 49 GLY H 3.130 . 4.460 3.599 3.331 3.989 . 0 0 "[ . 1 . 2]" 1
403 1 48 ALA HA 1 49 GLY H 2.610 . 3.410 3.008 2.926 3.061 . 0 0 "[ . 1 . 2]" 1
404 1 49 GLY H 1 50 ARG HB3 3.890 . 5.980 4.821 4.639 5.014 . 0 0 "[ . 1 . 2]" 1
405 1 48 ALA MB 1 49 GLY H 3.000 . 4.200 3.650 3.619 3.686 . 0 0 "[ . 1 . 2]" 1
406 1 41 GLY H 1 42 GLU H 3.280 . 4.760 4.323 4.074 4.612 . 0 0 "[ . 1 . 2]" 1
407 1 40 GLY H 1 41 GLY H 3.420 . 5.040 3.369 2.682 4.634 . 0 0 "[ . 1 . 2]" 1
408 1 41 GLY H 1 56 ILE HG12 3.470 . 5.140 2.696 2.174 3.816 . 0 0 "[ . 1 . 2]" 1
409 1 41 GLY H 1 56 ILE MG 3.600 . 5.400 4.754 4.338 5.384 . 0 0 "[ . 1 . 2]" 1
410 1 79 GLY H 1 80 ASP H 3.380 . 4.950 4.485 4.358 4.587 . 0 0 "[ . 1 . 2]" 1
411 1 78 PRO HA 1 79 GLY H 2.490 . 3.190 2.194 2.144 2.380 . 0 0 "[ . 1 . 2]" 1
412 1 78 PRO HB2 1 79 GLY H 3.230 . 4.660 3.655 2.853 3.977 . 0 0 "[ . 1 . 2]" 1
413 1 78 PRO HB3 1 79 GLY H 3.230 . 4.660 3.969 3.250 4.201 . 0 0 "[ . 1 . 2]" 1
414 1 70 GLY H 1 72 GLY H 3.360 . 4.920 3.514 3.262 4.020 . 0 0 "[ . 1 . 2]" 1
415 1 72 GLY H 1 80 ASP H 3.580 . 5.360 4.592 4.256 4.919 . 0 0 "[ . 1 . 2]" 1
416 1 72 GLY H 1 73 GLY H 3.110 . 4.420 3.304 2.823 3.698 . 0 0 "[ . 1 . 2]" 1
417 1 72 GLY H 1 79 GLY H 3.620 . 5.440 4.186 3.733 4.772 . 0 0 "[ . 1 . 2]" 1
418 1 72 GLY H 1 81 LEU H 3.290 . 4.780 3.597 2.713 4.115 . 0 0 "[ . 1 . 2]" 1
419 1 71 MET H 1 72 GLY H 2.790 . 3.780 2.144 1.895 2.423 . 0 0 "[ . 1 . 2]" 1
420 1 72 GLY H 1 79 GLY HA3 3.580 . 5.360 4.467 3.804 4.899 . 0 0 "[ . 1 . 2]" 1
421 1 71 MET HB3 1 72 GLY H 3.020 . 4.240 3.984 2.878 4.241 0.001 18 0 "[ . 1 . 2]" 1
422 1 72 GLY H 1 81 LEU HB2 3.550 . 5.300 2.794 2.417 3.193 . 0 0 "[ . 1 . 2]" 1
423 1 71 MET HB2 1 72 GLY H 3.230 . 4.660 3.331 2.934 3.778 . 0 0 "[ . 1 . 2]" 1
424 1 72 GLY H 1 81 LEU HB3 3.500 . 5.200 4.083 3.730 4.488 . 0 0 "[ . 1 . 2]" 1
425 1 68 VAL MG1 1 72 GLY H 3.490 . 5.180 4.653 4.196 4.863 . 0 0 "[ . 1 . 2]" 1
426 1 72 GLY H 1 81 LEU MD1 3.410 . 5.020 4.215 3.911 4.499 . 0 0 "[ . 1 . 2]" 1
427 1 72 GLY H 1 81 LEU MD2 3.660 . 5.520 4.320 3.907 4.700 . 0 0 "[ . 1 . 2]" 1
428 1 75 GLY H 1 76 ASN H 3.530 . 5.260 4.362 3.452 4.633 . 0 0 "[ . 1 . 2]" 1
429 1 74 GLN HA 1 75 GLY H 2.330 . 2.860 2.283 2.103 2.503 . 0 0 "[ . 1 . 2]" 1
430 1 74 GLN HB3 1 75 GLY H 2.660 . 3.520 2.943 2.313 3.644 0.124 14 0 "[ . 1 . 2]" 1
431 1 39 HIS H 1 40 GLY H 2.740 . 3.680 2.614 2.436 2.759 . 0 0 "[ . 1 . 2]" 1
432 1 38 PHE HA 1 40 GLY H 3.510 . 5.220 4.907 4.605 5.228 0.008 16 0 "[ . 1 . 2]" 1
433 1 39 HIS HB2 1 40 GLY H 2.850 . 3.900 2.572 2.377 2.781 . 0 0 "[ . 1 . 2]" 1
434 1 38 PHE HB3 1 40 GLY H 3.600 . 5.400 5.043 4.719 5.401 0.001 10 0 "[ . 1 . 2]" 1
435 1 40 GLY H 1 56 ILE MD 3.530 . 5.260 3.447 3.034 3.875 . 0 0 "[ . 1 . 2]" 1
436 1 22 SER HA 1 23 GLY H 2.650 . 3.500 2.521 2.117 3.499 . 0 0 "[ . 1 . 2]" 1
437 1 70 GLY H 1 80 ASP HA 2.820 . 3.850 2.860 2.466 3.578 . 0 0 "[ . 1 . 2]" 1
438 1 69 PRO HA 1 70 GLY H 2.530 . 3.260 2.252 2.195 2.302 . 0 0 "[ . 1 . 2]" 1
439 1 69 PRO HB3 1 70 GLY H 3.190 . 4.580 3.638 3.237 3.867 . 0 0 "[ . 1 . 2]" 1
440 1 69 PRO HB2 1 70 GLY H 3.090 . 4.380 3.217 2.954 3.645 . 0 0 "[ . 1 . 2]" 1
441 1 69 PRO HG2 1 70 GLY H 3.660 . 5.520 4.922 4.636 5.545 0.025 1 0 "[ . 1 . 2]" 1
442 1 70 GLY H 1 71 MET HB2 3.630 . 5.460 5.028 4.733 5.213 . 0 0 "[ . 1 . 2]" 1
443 1 68 VAL MG2 1 70 GLY H 3.550 . 5.300 5.217 5.007 5.435 0.135 14 0 "[ . 1 . 2]" 1
444 1 26 LEU H 1 73 GLY H 3.390 . 4.980 4.122 3.365 4.831 . 0 0 "[ . 1 . 2]" 1
445 1 25 ASP HA 1 73 GLY H 3.410 . 5.020 4.002 3.465 4.438 . 0 0 "[ . 1 . 2]" 1
446 1 24 ARG HA 1 73 GLY H 3.670 . 5.540 5.292 4.953 5.603 0.063 15 0 "[ . 1 . 2]" 1
447 1 72 GLY HA2 1 73 GLY H 2.780 . 3.760 3.448 3.330 3.568 . 0 0 "[ . 1 . 2]" 1
448 1 73 GLY H 1 79 GLY HA3 3.220 . 4.640 2.207 1.925 2.854 . 0 0 "[ . 1 . 2]" 1
449 1 72 GLY HA3 1 73 GLY H 2.780 . 3.760 2.239 2.163 2.409 . 0 0 "[ . 1 . 2]" 1
450 1 24 ARG HB2 1 73 GLY H 4.000 . 6.200 5.249 4.786 5.845 . 0 0 "[ . 1 . 2]" 1
451 1 24 ARG HB3 1 73 GLY H 3.200 . 4.600 3.601 3.044 4.229 . 0 0 "[ . 1 . 2]" 1
452 1 59 GLY H 1 60 VAL H 3.020 . 4.240 2.364 2.154 2.600 . 0 0 "[ . 1 . 2]" 1
453 1 39 HIS H 1 39 HIS HD2 3.410 . 5.020 4.395 4.088 5.114 0.094 8 0 "[ . 1 . 2]" 1
454 1 38 PHE HD1 1 39 HIS H 3.970 . 6.140 5.638 5.447 5.873 . 0 0 "[ . 1 . 2]" 1
455 1 39 HIS H 1 40 GLY HA3 3.790 . 5.780 5.130 4.922 5.255 . 0 0 "[ . 1 . 2]" 1
456 1 39 HIS H 1 40 GLY HA2 3.900 . 6.000 4.858 4.633 5.011 . 0 0 "[ . 1 . 2]" 1
457 1 39 HIS H 1 39 HIS HB2 2.580 . 3.360 2.512 2.351 2.626 . 0 0 "[ . 1 . 2]" 1
458 1 38 PHE HB3 1 39 HIS H 2.870 . 3.940 2.527 2.285 2.942 . 0 0 "[ . 1 . 2]" 1
459 1 60 VAL H 1 61 ARG H 3.470 . 5.140 4.603 4.499 4.682 . 0 0 "[ . 1 . 2]" 1
460 1 58 PRO HA 1 60 VAL H 3.000 . 4.200 3.595 3.420 3.716 . 0 0 "[ . 1 . 2]" 1
461 1 60 VAL H 1 60 VAL HB 2.810 . 3.820 2.631 2.524 2.714 . 0 0 "[ . 1 . 2]" 1
462 1 60 VAL H 1 60 VAL MG1 2.420 . 3.040 1.982 1.911 2.039 . 0 0 "[ . 1 . 2]" 1
463 1 32 LEU MD2 1 60 VAL H 3.450 . 5.100 4.755 4.519 4.969 . 0 0 "[ . 1 . 2]" 1
464 1 70 GLY H 1 71 MET H 2.930 . 4.070 2.735 2.514 2.993 . 0 0 "[ . 1 . 2]" 1
465 1 71 MET H 1 81 LEU H 2.960 . 4.120 3.834 3.518 4.143 0.023 7 0 "[ . 1 . 2]" 1
466 1 69 PRO HA 1 71 MET H 3.130 . 4.460 3.459 3.334 3.607 . 0 0 "[ . 1 . 2]" 1
467 1 71 MET H 1 71 MET HG2 3.410 . 5.020 3.261 2.688 4.907 . 0 0 "[ . 1 . 2]" 1
468 1 71 MET H 1 71 MET ME 3.850 . 5.900 4.893 4.275 5.923 0.023 9 0 "[ . 1 . 2]" 1
469 1 69 PRO HB2 1 71 MET H 4.040 . 6.280 5.053 4.949 5.238 . 0 0 "[ . 1 . 2]" 1
470 1 71 MET H 1 81 LEU HB2 3.220 . 4.640 3.695 3.454 3.870 . 0 0 "[ . 1 . 2]" 1
471 1 71 MET H 1 71 MET HB2 2.680 . 3.560 2.465 2.291 2.777 . 0 0 "[ . 1 . 2]" 1
472 1 71 MET H 1 81 LEU HB3 3.310 . 4.820 4.214 3.814 4.564 . 0 0 "[ . 1 . 2]" 1
473 1 68 VAL MG2 1 71 MET H 3.150 . 4.500 3.773 3.345 4.204 . 0 0 "[ . 1 . 2]" 1
474 1 71 MET H 1 81 LEU MD2 3.640 . 5.480 4.648 4.355 5.105 . 0 0 "[ . 1 . 2]" 1
475 1 38 PHE H 1 40 GLY H 3.570 . 5.340 4.257 4.029 4.475 . 0 0 "[ . 1 . 2]" 1
476 1 38 PHE H 1 38 PHE HD1 3.510 . 5.220 4.761 4.499 4.929 . 0 0 "[ . 1 . 2]" 1
477 1 38 PHE H 1 38 PHE HB2 2.630 . 3.460 2.539 2.317 2.694 . 0 0 "[ . 1 . 2]" 1
478 1 38 PHE H 1 38 PHE HB3 2.670 . 3.540 2.477 2.337 2.612 . 0 0 "[ . 1 . 2]" 1
479 1 37 ALA MB 1 38 PHE H 2.790 . 3.780 2.519 2.206 2.851 . 0 0 "[ . 1 . 2]" 1
480 1 38 PHE H 1 60 VAL MG1 3.780 . 5.760 4.846 4.634 5.327 . 0 0 "[ . 1 . 2]" 1
481 1 76 ASN H 1 76 ASN HB2 3.120 . 4.440 2.695 2.440 3.712 . 0 0 "[ . 1 . 2]" 1
482 1 76 ASN H 1 76 ASN HB3 3.120 . 4.440 3.189 2.446 3.794 . 0 0 "[ . 1 . 2]" 1
483 1 61 ARG H 1 62 GLU H 3.470 . 5.140 4.431 4.397 4.471 . 0 0 "[ . 1 . 2]" 1
484 1 61 ARG H 1 64 SER HA 3.950 . 6.100 5.567 5.250 5.980 . 0 0 "[ . 1 . 2]" 1
485 1 60 VAL HA 1 61 ARG H 2.560 . 3.320 2.236 2.157 2.347 . 0 0 "[ . 1 . 2]" 1
486 1 61 ARG H 1 64 SER HB2 2.870 . 3.940 3.246 2.706 3.710 . 0 0 "[ . 1 . 2]" 1
487 1 60 VAL HB 1 61 ARG H 3.090 . 4.380 4.158 3.980 4.306 . 0 0 "[ . 1 . 2]" 1
488 1 61 ARG H 1 61 ARG HB3 3.070 . 4.340 3.752 3.608 3.815 . 0 0 "[ . 1 . 2]" 1
489 1 61 ARG H 1 61 ARG HG3 2.930 . 4.060 3.386 3.027 3.540 . 0 0 "[ . 1 . 2]" 1
490 1 60 VAL MG2 1 61 ARG H 2.940 . 4.080 2.585 2.196 3.002 . 0 0 "[ . 1 . 2]" 1
491 1 61 ARG H 1 87 LEU MD1 3.540 . 5.280 3.988 3.531 4.229 . 0 0 "[ . 1 . 2]" 1
492 1 61 ARG H 1 85 VAL MG1 3.280 . 4.760 3.538 3.302 4.014 . 0 0 "[ . 1 . 2]" 1
493 1 63 GLY H 1 64 SER H 2.810 . 3.820 2.626 2.498 2.728 . 0 0 "[ . 1 . 2]" 1
494 1 64 SER H 1 85 VAL H 3.330 . 4.860 3.798 3.513 4.104 . 0 0 "[ . 1 . 2]" 1
495 1 64 SER H 1 64 SER HB2 2.550 . 3.300 2.462 2.316 2.576 . 0 0 "[ . 1 . 2]" 1
496 1 61 ARG HB3 1 64 SER H 4.220 . 6.640 5.629 5.314 5.937 . 0 0 "[ . 1 . 2]" 1
497 1 33 THR HB 1 36 GLU H 3.400 . 5.000 4.736 3.123 5.088 0.088 10 0 "[ . 1 . 2]" 1
498 1 36 GLU H 1 36 GLU HB2 2.710 . 3.620 2.361 2.260 2.484 . 0 0 "[ . 1 . 2]" 1
499 1 36 GLU H 1 36 GLU HG2 2.930 . 4.070 2.513 2.298 2.749 . 0 0 "[ . 1 . 2]" 1
500 1 36 GLU H 1 36 GLU HG3 2.930 . 4.070 3.809 3.654 3.933 . 0 0 "[ . 1 . 2]" 1
501 1 36 GLU H 1 36 GLU HB3 2.920 . 4.040 3.573 3.534 3.607 . 0 0 "[ . 1 . 2]" 1
502 1 33 THR MG 1 36 GLU H 3.100 . 4.400 1.986 1.837 2.551 . 0 0 "[ . 1 . 2]" 1
503 1 68 VAL H 1 81 LEU H 3.070 . 4.340 3.202 2.809 3.631 . 0 0 "[ . 1 . 2]" 1
504 1 70 GLY H 1 81 LEU H 3.230 . 4.660 4.560 4.047 4.741 0.081 8 0 "[ . 1 . 2]" 1
505 1 80 ASP HA 1 81 LEU H 2.730 . 3.660 2.263 2.086 2.437 . 0 0 "[ . 1 . 2]" 1
506 1 69 PRO HA 1 81 LEU H 3.380 . 4.960 3.329 2.725 3.758 . 0 0 "[ . 1 . 2]" 1
507 1 81 LEU H 1 81 LEU HB2 2.770 . 3.740 2.903 2.565 3.086 . 0 0 "[ . 1 . 2]" 1
508 1 71 MET HB2 1 81 LEU H 3.110 . 4.420 3.829 3.279 4.425 0.005 15 0 "[ . 1 . 2]" 1
509 1 81 LEU H 1 82 LEU HG 4.520 . 7.240 4.946 4.669 5.249 . 0 0 "[ . 1 . 2]" 1
510 1 81 LEU H 1 81 LEU HG 3.390 . 4.980 4.570 4.522 4.682 . 0 0 "[ . 1 . 2]" 1
511 1 81 LEU H 1 81 LEU HB3 2.910 . 4.020 2.637 2.522 2.809 . 0 0 "[ . 1 . 2]" 1
512 1 68 VAL MG1 1 81 LEU H 2.930 . 4.060 3.210 2.929 3.682 . 0 0 "[ . 1 . 2]" 1
513 1 48 ALA H 1 50 ARG H 3.480 . 5.160 4.187 4.079 4.288 . 0 0 "[ . 1 . 2]" 1
514 1 47 VAL H 1 50 ARG H 2.780 . 3.760 3.179 2.857 3.384 . 0 0 "[ . 1 . 2]" 1
515 1 49 GLY H 1 50 ARG H 2.690 . 3.580 2.524 2.301 2.638 . 0 0 "[ . 1 . 2]" 1
516 1 50 ARG H 1 51 ARG H 3.420 . 5.040 4.367 4.191 4.460 . 0 0 "[ . 1 . 2]" 1
517 1 46 GLU HA 1 50 ARG H 3.310 . 4.820 4.643 4.288 4.979 0.159 2 0 "[ . 1 . 2]" 1
518 1 47 VAL HA 1 50 ARG H 3.410 . 5.020 4.486 4.198 4.728 . 0 0 "[ . 1 . 2]" 1
519 1 48 ALA HA 1 50 ARG H 3.470 . 5.140 4.436 4.307 4.763 . 0 0 "[ . 1 . 2]" 1
520 1 50 ARG H 1 50 ARG HB2 2.750 . 3.700 2.965 2.671 3.229 . 0 0 "[ . 1 . 2]" 1
521 1 50 ARG H 1 50 ARG HB3 2.630 . 3.460 2.521 2.387 2.784 . 0 0 "[ . 1 . 2]" 1
522 1 48 ALA MB 1 50 ARG H 3.070 . 4.340 3.408 3.171 3.988 . 0 0 "[ . 1 . 2]" 1
523 1 73 GLY H 1 80 ASP H 3.540 . 5.280 3.533 2.894 3.918 . 0 0 "[ . 1 . 2]" 1
524 1 26 LEU H 1 80 ASP H 3.090 . 4.380 4.327 4.026 4.456 0.076 1 0 "[ . 1 . 2]" 1
525 1 25 ASP H 1 80 ASP H 3.660 . 5.520 4.682 4.138 5.165 . 0 0 "[ . 1 . 2]" 1
526 1 80 ASP H 1 81 LEU H 3.380 . 4.960 4.541 4.354 4.616 . 0 0 "[ . 1 . 2]" 1
527 1 25 ASP HA 1 80 ASP H 2.760 . 3.720 2.914 2.580 3.102 . 0 0 "[ . 1 . 2]" 1
528 1 69 PRO HA 1 80 ASP H 3.600 . 5.400 4.414 4.046 4.919 . 0 0 "[ . 1 . 2]" 1
529 1 79 GLY HA2 1 80 ASP H 2.640 . 3.480 2.381 2.190 2.614 . 0 0 "[ . 1 . 2]" 1
530 1 79 GLY HA3 1 80 ASP H 2.710 . 3.620 2.724 2.413 2.949 . 0 0 "[ . 1 . 2]" 1
531 1 80 ASP H 1 80 ASP HB3 3.130 . 4.460 3.190 2.378 3.679 . 0 0 "[ . 1 . 2]" 1
532 1 80 ASP H 1 80 ASP HB2 3.130 . 4.460 2.856 2.424 3.693 . 0 0 "[ . 1 . 2]" 1
533 1 63 GLY H 1 87 LEU H 3.550 . 5.300 4.396 4.096 4.707 . 0 0 "[ . 1 . 2]" 1
534 1 63 GLY H 1 85 VAL H 3.350 . 4.900 3.852 3.600 4.090 . 0 0 "[ . 1 . 2]" 1
535 1 63 GLY H 1 86 ARG HA 3.520 . 5.240 3.992 3.803 4.247 . 0 0 "[ . 1 . 2]" 1
536 1 62 GLU HA 1 63 GLY H 2.480 . 3.160 2.174 2.148 2.203 . 0 0 "[ . 1 . 2]" 1
537 1 62 GLU HB3 1 63 GLY H 3.290 . 4.780 4.344 4.241 4.435 . 0 0 "[ . 1 . 2]" 1
538 1 62 GLU HB2 1 63 GLY H 3.290 . 4.780 4.208 4.105 4.397 . 0 0 "[ . 1 . 2]" 1
539 1 63 GLY H 1 85 VAL MG1 2.910 . 4.020 2.289 2.125 2.500 . 0 0 "[ . 1 . 2]" 1
540 1 28 ALA H 1 29 GLU H 3.410 . 5.020 4.309 4.217 4.428 . 0 0 "[ . 1 . 2]" 1
541 1 28 ALA HA 1 29 GLU H 2.690 . 3.580 2.259 2.214 2.323 . 0 0 "[ . 1 . 2]" 1
542 1 6 LEU HA 1 29 GLU H 3.170 . 4.540 4.188 3.827 4.516 . 0 0 "[ . 1 . 2]" 1
543 1 9 LEU HG 1 29 GLU H 3.020 . 4.240 3.676 3.136 4.214 . 0 0 "[ . 1 . 2]" 1
544 1 28 ALA MB 1 29 GLU H 2.620 . 3.440 2.871 2.605 3.028 . 0 0 "[ . 1 . 2]" 1
545 1 9 LEU MD1 1 29 GLU H 3.260 . 4.720 4.196 3.671 4.627 . 0 0 "[ . 1 . 2]" 1
546 1 62 GLU H 1 63 GLY H 3.440 . 5.080 4.555 4.481 4.600 . 0 0 "[ . 1 . 2]" 1
547 1 62 GLU H 1 62 GLU HB3 2.720 . 3.640 2.471 2.364 2.721 . 0 0 "[ . 1 . 2]" 1
548 1 61 ARG HB3 1 62 GLU H 2.570 . 3.340 2.462 2.266 2.781 . 0 0 "[ . 1 . 2]" 1
549 1 62 GLU H 1 62 GLU HB2 2.720 . 3.640 2.498 2.266 2.639 . 0 0 "[ . 1 . 2]" 1
550 1 62 GLU H 1 87 LEU MD1 2.650 . 3.500 2.587 2.183 3.297 . 0 0 "[ . 1 . 2]" 1
551 1 73 GLY H 1 74 GLN H 3.420 . 5.040 4.276 4.120 4.512 . 0 0 "[ . 1 . 2]" 1
552 1 74 GLN H 1 75 GLY H 3.410 . 5.020 4.513 4.356 4.594 . 0 0 "[ . 1 . 2]" 1
553 1 74 GLN H 1 74 GLN HB2 2.450 . 3.100 2.531 2.432 2.660 . 0 0 "[ . 1 . 2]" 1
554 1 26 LEU H 1 82 LEU H 3.220 . 4.640 3.703 3.165 4.167 . 0 0 "[ . 1 . 2]" 1
555 1 25 ASP HA 1 26 LEU H 2.610 . 3.410 2.176 2.092 2.299 . 0 0 "[ . 1 . 2]" 1
556 1 26 LEU H 1 81 LEU HA 3.080 . 4.360 3.040 2.692 3.555 . 0 0 "[ . 1 . 2]" 1
557 1 26 LEU H 1 72 GLY HA2 3.290 . 4.780 4.149 3.542 4.752 . 0 0 "[ . 1 . 2]" 1
558 1 26 LEU H 1 79 GLY HA3 3.890 . 5.980 5.313 4.396 5.881 . 0 0 "[ . 1 . 2]" 1
559 1 26 LEU H 1 72 GLY HA3 3.290 . 4.780 3.231 2.570 3.835 . 0 0 "[ . 1 . 2]" 1
560 1 42 GLU H 1 42 GLU HB2 2.660 . 3.520 2.450 2.398 2.545 . 0 0 "[ . 1 . 2]" 1
561 1 26 LEU H 1 26 LEU HG 3.700 . 5.600 4.698 4.529 4.831 . 0 0 "[ . 1 . 2]" 1
562 1 26 LEU H 1 26 LEU MD1 3.610 . 5.420 4.580 4.352 4.786 . 0 0 "[ . 1 . 2]" 1
563 1 26 LEU H 1 26 LEU MD2 3.610 . 5.420 4.356 4.322 4.409 . 0 0 "[ . 1 . 2]" 1
564 1 26 LEU H 1 81 LEU MD1 3.220 . 4.640 3.775 3.248 4.371 . 0 0 "[ . 1 . 2]" 1
565 1 7 ALA H 1 8 LEU H 3.410 . 5.020 2.448 1.796 2.624 0.004 6 0 "[ . 1 . 2]" 1
566 1 7 ALA MB 1 8 LEU H 2.690 . 3.580 2.555 2.284 2.812 . 0 0 "[ . 1 . 2]" 1
567 1 65 VAL H 1 66 ILE H 3.490 . 5.180 4.268 4.180 4.506 . 0 0 "[ . 1 . 2]" 1
568 1 64 SER H 1 65 VAL H 3.490 . 5.180 4.532 4.491 4.603 . 0 0 "[ . 1 . 2]" 1
569 1 64 SER HA 1 65 VAL H 2.360 . 2.920 2.182 2.154 2.208 . 0 0 "[ . 1 . 2]" 1
570 1 65 VAL H 1 85 VAL HB 4.080 . 6.360 6.259 5.976 6.453 0.093 13 0 "[ . 1 . 2]" 1
571 1 65 VAL H 1 65 VAL HB 2.590 . 3.380 2.747 2.585 3.181 . 0 0 "[ . 1 . 2]" 1
572 1 65 VAL H 1 65 VAL MG2 3.070 . 4.340 2.848 2.414 3.920 . 0 0 "[ . 1 . 2]" 1
573 1 65 VAL H 1 65 VAL MG1 3.070 . 4.340 3.425 1.992 3.915 . 0 0 "[ . 1 . 2]" 1
574 1 5 ALA MB 1 6 LEU H 2.840 . 3.880 2.588 1.898 3.150 . 0 0 "[ . 1 . 2]" 1
575 1 52 VAL H 1 53 SER H 3.610 . 5.420 4.262 4.060 4.437 . 0 0 "[ . 1 . 2]" 1
576 1 45 VAL H 1 53 SER H 3.790 . 5.780 4.754 4.428 5.155 . 0 0 "[ . 1 . 2]" 1
577 1 52 VAL HA 1 53 SER H 2.340 . 2.880 2.188 2.103 2.302 . 0 0 "[ . 1 . 2]" 1
578 1 53 SER H 1 53 SER HB2 2.580 . 3.360 2.801 2.663 2.906 . 0 0 "[ . 1 . 2]" 1
579 1 53 SER H 1 53 SER HB3 2.580 . 3.360 2.529 2.444 2.656 . 0 0 "[ . 1 . 2]" 1
580 1 53 SER H 1 71 MET ME 3.740 . 5.680 5.187 4.367 5.754 0.074 11 0 "[ . 1 . 2]" 1
581 1 52 VAL HB 1 53 SER H 3.150 . 4.510 4.279 4.075 4.408 . 0 0 "[ . 1 . 2]" 1
582 1 45 VAL H 1 52 VAL H 2.900 . 4.000 3.329 2.899 3.819 . 0 0 "[ . 1 . 2]" 1
583 1 45 VAL H 1 46 GLU H 3.310 . 4.820 4.266 4.040 4.420 . 0 0 "[ . 1 . 2]" 1
584 1 45 VAL H 1 53 SER HA 3.090 . 4.380 3.158 2.613 3.541 . 0 0 "[ . 1 . 2]" 1
585 1 44 VAL HA 1 45 VAL H 2.720 . 3.640 2.143 2.113 2.199 . 0 0 "[ . 1 . 2]" 1
586 1 45 VAL H 1 45 VAL HB 3.110 . 4.420 2.912 2.581 3.389 . 0 0 "[ . 1 . 2]" 1
587 1 45 VAL H 1 51 ARG HG3 3.550 . 5.300 4.288 3.469 5.328 0.028 14 0 "[ . 1 . 2]" 1
588 1 44 VAL MG1 1 45 VAL H 2.520 . 3.240 2.894 2.439 3.242 0.002 8 0 "[ . 1 . 2]" 1
589 1 45 VAL H 1 45 VAL MG1 3.080 . 4.360 3.234 2.065 3.939 . 0 0 "[ . 1 . 2]" 1
590 1 27 ARG H 1 28 ALA H 3.470 . 5.140 4.499 4.378 4.580 . 0 0 "[ . 1 . 2]" 1
591 1 26 LEU H 1 27 ARG H 3.480 . 5.160 4.254 3.976 4.469 . 0 0 "[ . 1 . 2]" 1
592 1 25 ASP HA 1 27 ARG H 4.300 . 6.800 5.927 5.711 6.256 . 0 0 "[ . 1 . 2]" 1
593 1 27 ARG H 1 28 ALA HA 3.950 . 6.100 5.324 5.189 5.416 . 0 0 "[ . 1 . 2]" 1
594 1 26 LEU HA 1 27 ARG H 2.660 . 3.520 2.170 2.127 2.273 . 0 0 "[ . 1 . 2]" 1
595 1 27 ARG H 1 81 LEU MD1 3.410 . 5.020 4.404 3.872 4.739 . 0 0 "[ . 1 . 2]" 1
596 1 6 LEU H 1 46 GLU H 3.410 . 5.020 4.494 3.602 5.113 0.093 12 0 "[ . 1 . 2]" 1
597 1 45 VAL HA 1 46 GLU H 2.630 . 3.460 2.193 2.110 2.254 . 0 0 "[ . 1 . 2]" 1
598 1 4 ILE HG13 1 46 GLU H 3.670 . 5.540 4.474 3.965 5.276 . 0 0 "[ . 1 . 2]" 1
599 1 5 ALA MB 1 46 GLU H 3.480 . 5.160 3.959 3.422 4.244 . 0 0 "[ . 1 . 2]" 1
600 1 3 THR MG 1 46 GLU H 3.380 . 4.960 3.800 3.116 5.073 0.113 14 0 "[ . 1 . 2]" 1
601 1 4 ILE HG12 1 46 GLU H 3.670 . 5.540 5.115 4.607 5.645 0.105 20 0 "[ . 1 . 2]" 1
602 1 45 VAL MG2 1 46 GLU H 3.280 . 4.760 3.727 2.513 4.427 . 0 0 "[ . 1 . 2]" 1
603 1 65 VAL HA 1 83 LEU H 3.760 . 5.720 4.274 3.853 4.747 . 0 0 "[ . 1 . 2]" 1
604 1 83 LEU H 1 83 LEU HB2 2.820 . 3.850 2.548 2.451 2.660 . 0 0 "[ . 1 . 2]" 1
605 1 82 LEU HB3 1 83 LEU H 2.860 . 3.920 3.874 3.716 3.930 0.010 5 0 "[ . 1 . 2]" 1
606 1 43 ARG H 1 44 VAL H 3.470 . 5.140 4.284 4.234 4.392 . 0 0 "[ . 1 . 2]" 1
607 1 42 GLU HA 1 43 ARG H 2.490 . 3.190 2.171 2.142 2.202 . 0 0 "[ . 1 . 2]" 1
608 1 43 ARG H 1 55 ARG HA 3.040 . 4.280 3.510 3.055 3.813 . 0 0 "[ . 1 . 2]" 1
609 1 43 ARG H 1 54 VAL HA 3.630 . 5.460 4.776 4.570 5.073 . 0 0 "[ . 1 . 2]" 1
610 1 42 GLU HB3 1 43 ARG H 2.900 . 4.000 3.563 3.332 3.741 . 0 0 "[ . 1 . 2]" 1
611 1 47 VAL H 1 48 ALA H 3.340 . 4.880 4.217 3.834 4.340 . 0 0 "[ . 1 . 2]" 1
612 1 46 GLU H 1 47 VAL H 3.460 . 5.120 4.283 4.087 4.542 . 0 0 "[ . 1 . 2]" 1
613 1 47 VAL H 1 51 ARG H 3.780 . 5.760 5.051 4.830 5.317 . 0 0 "[ . 1 . 2]" 1
614 1 46 GLU HA 1 47 VAL H 2.460 . 3.120 2.149 2.075 2.211 . 0 0 "[ . 1 . 2]" 1
615 1 83 LEU HA 1 84 VAL H 2.530 . 3.260 2.242 2.188 2.322 . 0 0 "[ . 1 . 2]" 1
616 1 47 VAL H 1 51 ARG HA 2.980 . 4.160 3.773 3.516 4.086 . 0 0 "[ . 1 . 2]" 1
617 1 47 VAL H 1 50 ARG HB3 3.230 . 4.660 3.738 3.362 4.124 . 0 0 "[ . 1 . 2]" 1
618 1 47 VAL H 1 48 ALA MB 3.480 . 5.160 4.670 4.476 4.920 . 0 0 "[ . 1 . 2]" 1
619 1 83 LEU HB3 1 84 VAL H 3.110 . 4.420 3.921 3.856 4.011 . 0 0 "[ . 1 . 2]" 1
620 1 32 LEU H 1 33 THR H 3.450 . 5.100 4.535 4.496 4.567 . 0 0 "[ . 1 . 2]" 1
621 1 31 PRO HA 1 32 LEU H 2.580 . 3.360 2.226 2.184 2.271 . 0 0 "[ . 1 . 2]" 1
622 1 32 LEU H 1 87 LEU HA 3.030 . 4.260 3.474 2.949 3.806 . 0 0 "[ . 1 . 2]" 1
623 1 32 LEU H 1 85 VAL HA 3.630 . 5.460 4.782 4.543 5.077 . 0 0 "[ . 1 . 2]" 1
624 1 31 PRO HB2 1 32 LEU H 3.170 . 4.540 3.835 3.777 3.886 . 0 0 "[ . 1 . 2]" 1
625 1 32 LEU H 1 32 LEU HB3 2.860 . 3.920 2.552 2.472 2.611 . 0 0 "[ . 1 . 2]" 1
626 1 32 LEU H 1 87 LEU HG 3.070 . 4.340 4.164 3.433 4.395 0.055 15 0 "[ . 1 . 2]" 1
627 1 44 VAL H 1 45 VAL H 3.880 . 5.960 4.441 4.304 4.553 . 0 0 "[ . 1 . 2]" 1
628 1 43 ARG HA 1 44 VAL H 2.570 . 3.340 2.091 2.047 2.133 . 0 0 "[ . 1 . 2]" 1
629 1 44 VAL H 1 44 VAL HB 2.620 . 3.440 2.443 2.366 2.568 . 0 0 "[ . 1 . 2]" 1
630 1 43 ARG HB3 1 44 VAL H 3.390 . 4.980 4.290 4.133 4.377 . 0 0 "[ . 1 . 2]" 1
631 1 44 VAL H 1 44 VAL MG2 2.640 . 3.480 2.224 1.961 2.366 . 0 0 "[ . 1 . 2]" 1
632 1 44 VAL H 1 44 VAL MG1 2.940 . 4.080 3.776 3.739 3.813 . 0 0 "[ . 1 . 2]" 1
633 1 9 LEU H 1 28 ALA HA 3.230 . 4.660 2.508 1.971 2.989 . 0 0 "[ . 1 . 2]" 1
634 1 8 LEU HA 1 9 LEU H 2.610 . 3.410 2.326 2.161 2.548 . 0 0 "[ . 1 . 2]" 1
635 1 9 LEU H 1 28 ALA MB 3.190 . 4.580 3.316 2.951 3.819 . 0 0 "[ . 1 . 2]" 1
636 1 9 LEU H 1 9 LEU MD1 2.790 . 3.780 3.689 3.577 3.835 0.055 2 0 "[ . 1 . 2]" 1
637 1 46 GLU HA 1 51 ARG H 3.670 . 5.540 4.750 4.449 5.122 . 0 0 "[ . 1 . 2]" 1
638 1 50 ARG HA 1 51 ARG H 2.410 . 3.020 2.173 2.109 2.305 . 0 0 "[ . 1 . 2]" 1
639 1 10 PRO HA 1 11 LEU H 2.440 . 3.080 2.481 2.095 3.467 0.387 12 0 "[ . 1 . 2]" 1
640 1 10 PRO HB2 1 11 LEU H 3.060 . 4.320 2.826 2.023 4.364 0.044 19 0 "[ . 1 . 2]" 1
641 1 24 ARG HA 1 25 ASP H 2.460 . 3.120 2.152 2.084 2.208 . 0 0 "[ . 1 . 2]" 1
642 1 25 ASP H 1 79 GLY HA3 4.110 . 6.420 4.971 4.645 5.494 . 0 0 "[ . 1 . 2]" 1
643 1 24 ARG HD2 1 25 ASP H 3.670 . 5.540 5.045 3.065 5.690 0.150 10 0 "[ . 1 . 2]" 1
644 1 24 ARG HD3 1 25 ASP H 3.670 . 5.540 4.826 2.455 5.651 0.111 4 0 "[ . 1 . 2]" 1
645 1 24 ARG HB2 1 25 ASP H 3.200 . 4.600 4.302 4.109 4.489 . 0 0 "[ . 1 . 2]" 1
646 1 88 LEU HB3 1 90 HIS H 3.120 . 4.440 3.166 2.661 3.818 . 0 0 "[ . 1 . 2]" 1
647 1 86 ARG H 1 87 LEU H 3.460 . 5.120 3.897 3.650 4.134 . 0 0 "[ . 1 . 2]" 1
648 1 86 ARG HA 1 87 LEU H 2.600 . 3.400 2.177 2.130 2.226 . 0 0 "[ . 1 . 2]" 1
649 1 62 GLU HA 1 87 LEU H 3.170 . 4.540 2.966 2.545 3.223 . 0 0 "[ . 1 . 2]" 1
650 1 87 LEU H 1 87 LEU HB2 2.650 . 3.500 2.438 2.304 2.539 . 0 0 "[ . 1 . 2]" 1
651 1 86 ARG HB3 1 87 LEU H 3.080 . 4.360 3.925 3.701 4.106 . 0 0 "[ . 1 . 2]" 1
652 1 87 LEU H 1 87 LEU HB3 2.930 . 4.060 3.654 3.574 3.720 . 0 0 "[ . 1 . 2]" 1
653 1 85 VAL MG2 1 87 LEU H 3.490 . 5.180 3.672 3.282 4.193 . 0 0 "[ . 1 . 2]" 1
654 1 85 VAL MG1 1 87 LEU H 2.980 . 4.160 3.854 3.552 4.202 0.042 4 0 "[ . 1 . 2]" 1
655 1 43 ARG H 1 54 VAL H 2.730 . 3.660 3.165 2.905 3.498 . 0 0 "[ . 1 . 2]" 1
656 1 53 SER H 1 54 VAL H 3.600 . 5.400 4.350 4.232 4.542 . 0 0 "[ . 1 . 2]" 1
657 1 42 GLU HA 1 54 VAL H 3.290 . 4.780 4.371 4.125 4.689 . 0 0 "[ . 1 . 2]" 1
658 1 53 SER HA 1 54 VAL H 2.560 . 3.320 2.180 2.144 2.214 . 0 0 "[ . 1 . 2]" 1
659 1 53 SER HB2 1 54 VAL H 3.200 . 4.600 4.424 4.234 4.518 . 0 0 "[ . 1 . 2]" 1
660 1 53 SER HB3 1 54 VAL H 3.200 . 4.600 4.349 4.169 4.446 . 0 0 "[ . 1 . 2]" 1
661 1 42 GLU HG3 1 54 VAL H 3.840 . 5.880 5.535 5.246 5.916 0.036 19 0 "[ . 1 . 2]" 1
662 1 52 VAL H 1 52 VAL HB 2.750 . 3.700 3.092 2.625 3.415 . 0 0 "[ . 1 . 2]" 1
663 1 51 ARG HG2 1 52 VAL H 3.110 . 4.420 3.588 3.157 3.826 . 0 0 "[ . 1 . 2]" 1
664 1 47 VAL H 1 52 VAL H 3.480 . 5.160 4.575 3.914 5.162 0.002 15 0 "[ . 1 . 2]" 1
665 1 46 GLU HA 1 52 VAL H 3.160 . 4.520 3.503 2.723 4.212 . 0 0 "[ . 1 . 2]" 1
666 1 51 ARG HA 1 52 VAL H 2.490 . 3.190 2.187 2.134 2.233 . 0 0 "[ . 1 . 2]" 1
667 1 51 ARG HG3 1 52 VAL H 3.080 . 4.360 3.613 3.085 4.004 . 0 0 "[ . 1 . 2]" 1
668 1 87 LEU H 1 88 LEU H 3.440 . 5.080 4.467 4.294 4.597 . 0 0 "[ . 1 . 2]" 1
669 1 87 LEU HA 1 88 LEU H 2.480 . 3.160 2.164 2.100 2.274 . 0 0 "[ . 1 . 2]" 1
670 1 88 LEU H 1 89 PRO HD3 3.830 . 5.860 4.861 4.369 5.196 . 0 0 "[ . 1 . 2]" 1
671 1 88 LEU H 1 89 PRO HD2 3.830 . 5.860 5.093 4.804 5.403 . 0 0 "[ . 1 . 2]" 1
672 1 87 LEU HB2 1 88 LEU H 3.220 . 4.640 4.138 3.928 4.434 . 0 0 "[ . 1 . 2]" 1
673 1 88 LEU H 1 88 LEU HG 2.450 . 3.100 2.247 2.059 2.565 . 0 0 "[ . 1 . 2]" 1
674 1 87 LEU HB3 1 88 LEU H 2.850 . 3.900 3.042 2.745 3.608 . 0 0 "[ . 1 . 2]" 1
675 1 87 LEU MD2 1 88 LEU H 2.830 . 3.860 3.196 2.795 3.507 . 0 0 "[ . 1 . 2]" 1
676 1 29 GLU H 1 30 LEU H 3.450 . 5.100 4.309 4.192 4.371 . 0 0 "[ . 1 . 2]" 1
677 1 30 LEU H 1 86 ARG H 3.470 . 5.140 4.127 3.842 4.361 . 0 0 "[ . 1 . 2]" 1
678 1 30 LEU H 1 85 VAL HA 3.110 . 4.420 3.289 2.771 3.613 . 0 0 "[ . 1 . 2]" 1
679 1 30 LEU H 1 31 PRO HD2 3.530 . 5.260 4.760 4.576 4.937 . 0 0 "[ . 1 . 2]" 1
680 1 29 GLU HB2 1 30 LEU H 3.320 . 4.840 3.811 2.955 4.356 . 0 0 "[ . 1 . 2]" 1
681 1 30 LEU H 1 30 LEU HB3 2.870 . 3.940 3.021 2.574 3.188 . 0 0 "[ . 1 . 2]" 1
682 1 30 LEU H 1 30 LEU HG 3.230 . 4.660 2.398 2.088 4.469 . 0 0 "[ . 1 . 2]" 1
683 1 6 LEU MD1 1 30 LEU H 2.950 . 4.100 3.080 2.906 3.534 . 0 0 "[ . 1 . 2]" 1
684 1 30 LEU H 1 30 LEU MD1 3.190 . 4.580 3.489 3.169 4.311 . 0 0 "[ . 1 . 2]" 1
685 1 54 VAL H 1 55 ARG H 3.430 . 5.060 4.409 4.276 4.550 . 0 0 "[ . 1 . 2]" 1
686 1 43 ARG H 1 55 ARG H 3.700 . 5.600 4.819 4.518 5.064 . 0 0 "[ . 1 . 2]" 1
687 1 55 ARG H 1 56 ILE H 3.830 . 5.860 4.206 4.047 4.403 . 0 0 "[ . 1 . 2]" 1
688 1 42 GLU HA 1 55 ARG H 3.500 . 5.200 4.137 3.711 4.825 . 0 0 "[ . 1 . 2]" 1
689 1 54 VAL HA 1 55 ARG H 2.420 . 3.040 2.176 2.101 2.264 . 0 0 "[ . 1 . 2]" 1
690 1 54 VAL HB 1 55 ARG H 3.180 . 4.560 3.809 2.939 4.379 . 0 0 "[ . 1 . 2]" 1
691 1 55 ARG H 1 55 ARG HB2 2.810 . 3.820 2.757 2.623 2.887 . 0 0 "[ . 1 . 2]" 1
692 1 55 ARG H 1 55 ARG HB3 2.810 . 3.820 2.526 2.355 2.721 . 0 0 "[ . 1 . 2]" 1
693 1 55 ARG H 1 55 ARG HG3 3.550 . 5.300 4.588 4.491 4.653 . 0 0 "[ . 1 . 2]" 1
694 1 54 VAL MG1 1 55 ARG H 3.370 . 4.940 4.022 3.174 4.315 . 0 0 "[ . 1 . 2]" 1
695 1 6 LEU H 1 7 ALA H 3.500 . 5.200 4.455 3.340 4.674 . 0 0 "[ . 1 . 2]" 1
696 1 6 LEU HA 1 7 ALA H 2.590 . 3.380 2.474 2.270 3.497 0.117 16 0 "[ . 1 . 2]" 1
697 1 7 ALA H 1 7 ALA MB 2.620 . 3.440 2.333 2.225 2.973 . 0 0 "[ . 1 . 2]" 1
698 1 6 LEU MD1 1 7 ALA H 3.080 . 4.360 2.855 2.601 3.968 . 0 0 "[ . 1 . 2]" 1
699 1 28 ALA H 1 82 LEU H 3.330 . 4.860 3.901 3.534 4.326 . 0 0 "[ . 1 . 2]" 1
700 1 27 ARG HA 1 28 ALA H 2.510 . 3.220 2.215 2.144 2.312 . 0 0 "[ . 1 . 2]" 1
701 1 28 ALA H 1 83 LEU HA 3.070 . 4.340 3.844 3.517 4.311 . 0 0 "[ . 1 . 2]" 1
702 1 28 ALA H 1 28 ALA MB 2.690 . 3.580 2.676 2.522 2.750 . 0 0 "[ . 1 . 2]" 1
703 1 9 LEU MD1 1 28 ALA H 3.230 . 4.660 4.372 3.767 4.785 0.125 5 0 "[ . 1 . 2]" 1
704 1 28 ALA H 1 83 LEU MD2 3.620 . 5.440 4.156 3.790 4.651 . 0 0 "[ . 1 . 2]" 1
705 1 84 VAL H 1 85 VAL H 3.450 . 5.100 4.429 4.298 4.542 . 0 0 "[ . 1 . 2]" 1
706 1 65 VAL HA 1 85 VAL H 3.150 . 4.500 3.612 3.305 3.807 . 0 0 "[ . 1 . 2]" 1
707 1 84 VAL HA 1 85 VAL H 2.520 . 3.240 2.169 2.103 2.213 . 0 0 "[ . 1 . 2]" 1
708 1 64 SER HA 1 85 VAL H 3.530 . 5.260 4.925 4.799 5.059 . 0 0 "[ . 1 . 2]" 1
709 1 64 SER HB3 1 85 VAL H 3.120 . 4.440 4.062 3.660 4.674 0.234 1 0 "[ . 1 . 2]" 1
710 1 85 VAL H 1 85 VAL HB 2.620 . 3.440 2.542 2.408 2.670 . 0 0 "[ . 1 . 2]" 1
711 1 84 VAL HB 1 85 VAL H 3.280 . 4.760 4.274 4.130 4.380 . 0 0 "[ . 1 . 2]" 1
712 1 85 VAL H 1 85 VAL MG1 2.790 . 3.780 2.141 1.974 2.338 . 0 0 "[ . 1 . 2]" 1
713 1 82 LEU H 1 83 LEU H 3.350 . 4.900 4.251 4.126 4.368 . 0 0 "[ . 1 . 2]" 1
714 1 27 ARG HA 1 82 LEU H 2.950 . 4.100 3.147 2.637 3.576 . 0 0 "[ . 1 . 2]" 1
715 1 82 LEU H 1 82 LEU HB2 2.760 . 3.720 2.495 2.400 2.592 . 0 0 "[ . 1 . 2]" 1
716 1 82 LEU H 1 82 LEU HG 2.730 . 3.660 2.479 2.342 2.758 . 0 0 "[ . 1 . 2]" 1
717 1 82 LEU H 1 82 LEU HB3 2.970 . 4.140 3.633 3.593 3.732 . 0 0 "[ . 1 . 2]" 1
718 1 81 LEU MD1 1 82 LEU H 2.630 . 3.460 2.902 2.489 3.195 . 0 0 "[ . 1 . 2]" 1
719 1 41 GLY H 1 56 ILE H 3.070 . 4.340 3.912 3.377 4.349 0.009 12 0 "[ . 1 . 2]" 1
720 1 42 GLU HA 1 56 ILE H 3.140 . 4.480 3.544 2.999 4.060 . 0 0 "[ . 1 . 2]" 1
721 1 55 ARG HA 1 56 ILE H 2.580 . 3.360 2.132 2.078 2.209 . 0 0 "[ . 1 . 2]" 1
722 1 40 GLY HA2 1 56 ILE H 3.630 . 5.460 4.641 4.235 5.187 . 0 0 "[ . 1 . 2]" 1
723 1 42 GLU HG3 1 56 ILE H 4.070 . 6.340 5.284 4.344 6.117 . 0 0 "[ . 1 . 2]" 1
724 1 56 ILE H 1 56 ILE HB 3.000 . 4.200 3.645 3.602 3.685 . 0 0 "[ . 1 . 2]" 1
725 1 55 ARG HB2 1 56 ILE H 3.780 . 5.760 4.425 4.266 4.573 . 0 0 "[ . 1 . 2]" 1
726 1 55 ARG HB3 1 56 ILE H 3.780 . 5.760 4.416 4.197 4.518 . 0 0 "[ . 1 . 2]" 1
727 1 56 ILE H 1 56 ILE HG12 2.900 . 4.000 1.959 1.885 2.045 . 0 0 "[ . 1 . 2]" 1
728 1 56 ILE H 1 56 ILE MG 2.960 . 4.120 2.389 2.180 2.578 . 0 0 "[ . 1 . 2]" 1
729 1 56 ILE H 1 56 ILE HG13 3.280 . 4.760 3.261 3.130 3.381 . 0 0 "[ . 1 . 2]" 1
730 1 66 ILE HA 1 67 ARG H 2.470 . 3.140 2.195 2.154 2.294 . 0 0 "[ . 1 . 2]" 1
731 1 67 ARG H 1 67 ARG HD2 3.860 . 5.920 5.081 4.868 5.424 . 0 0 "[ . 1 . 2]" 1
732 1 67 ARG H 1 67 ARG HD3 3.860 . 5.920 5.045 4.843 5.367 . 0 0 "[ . 1 . 2]" 1
733 1 67 ARG H 1 67 ARG HB2 2.690 . 3.580 2.702 2.563 3.009 . 0 0 "[ . 1 . 2]" 1
734 1 67 ARG H 1 67 ARG HB3 2.690 . 3.580 2.482 2.392 2.648 . 0 0 "[ . 1 . 2]" 1
735 1 67 ARG H 1 67 ARG HG3 3.490 . 5.180 4.574 4.496 4.668 . 0 0 "[ . 1 . 2]" 1
736 1 67 ARG H 1 67 ARG HG2 3.490 . 5.180 4.456 4.389 4.536 . 0 0 "[ . 1 . 2]" 1
737 1 66 ILE MG 1 67 ARG H 2.740 . 3.680 3.212 2.406 3.418 . 0 0 "[ . 1 . 2]" 1
738 1 85 VAL H 1 86 ARG H 3.520 . 5.240 4.573 4.530 4.614 . 0 0 "[ . 1 . 2]" 1
739 1 32 LEU H 1 86 ARG H 3.260 . 4.730 3.082 2.852 3.341 . 0 0 "[ . 1 . 2]" 1
740 1 31 PRO HA 1 86 ARG H 3.040 . 4.280 3.023 2.722 3.173 . 0 0 "[ . 1 . 2]" 1
741 1 85 VAL HA 1 86 ARG H 2.530 . 3.260 2.192 2.154 2.247 . 0 0 "[ . 1 . 2]" 1
742 1 85 VAL HB 1 86 ARG H 3.440 . 5.080 4.190 4.044 4.298 . 0 0 "[ . 1 . 2]" 1
743 1 31 PRO HB2 1 86 ARG H 3.890 . 5.980 5.735 5.456 5.891 . 0 0 "[ . 1 . 2]" 1
744 1 31 PRO HB3 1 86 ARG H 3.520 . 5.240 5.202 4.827 5.351 0.111 11 0 "[ . 1 . 2]" 1
745 1 86 ARG H 1 86 ARG HB2 2.790 . 3.780 2.660 2.544 2.773 . 0 0 "[ . 1 . 2]" 1
746 1 30 LEU HG 1 86 ARG H 3.330 . 4.860 4.276 3.873 4.534 . 0 0 "[ . 1 . 2]" 1
747 1 32 LEU HB2 1 86 ARG H 3.510 . 5.220 3.600 3.399 3.865 . 0 0 "[ . 1 . 2]" 1
748 1 85 VAL MG1 1 86 ARG H 3.000 . 4.200 3.793 3.601 3.956 . 0 0 "[ . 1 . 2]" 1
749 1 5 ALA H 1 6 LEU HA 3.440 . 5.080 4.896 4.653 5.149 0.069 16 0 "[ . 1 . 2]" 1
750 1 4 ILE HA 1 5 ALA H 2.430 . 3.060 2.404 2.267 2.512 . 0 0 "[ . 1 . 2]" 1
751 1 4 ILE HB 1 5 ALA H 2.860 . 3.920 2.487 2.181 2.793 . 0 0 "[ . 1 . 2]" 1
752 1 4 ILE HG13 1 5 ALA H 3.350 . 4.900 3.493 3.258 3.863 . 0 0 "[ . 1 . 2]" 1
753 1 5 ALA H 1 5 ALA MB 2.450 . 3.100 2.528 2.359 2.688 . 0 0 "[ . 1 . 2]" 1
754 1 4 ILE HG12 1 5 ALA H 3.350 . 4.900 4.571 4.401 4.838 . 0 0 "[ . 1 . 2]" 1
755 1 4 ILE MG 1 5 ALA H 3.000 . 4.200 3.847 3.603 3.977 . 0 0 "[ . 1 . 2]" 1
756 1 68 VAL H 1 83 LEU H 3.450 . 5.100 4.020 3.747 4.391 . 0 0 "[ . 1 . 2]" 1
757 1 67 ARG H 1 68 VAL H 3.370 . 4.940 4.305 4.136 4.440 . 0 0 "[ . 1 . 2]" 1
758 1 67 ARG HA 1 68 VAL H 2.640 . 3.480 2.196 2.157 2.263 . 0 0 "[ . 1 . 2]" 1
759 1 68 VAL H 1 69 PRO HD3 3.460 . 5.120 4.315 3.699 4.709 . 0 0 "[ . 1 . 2]" 1
760 1 68 VAL H 1 69 PRO HD2 3.630 . 5.460 4.882 4.544 5.334 . 0 0 "[ . 1 . 2]" 1
761 1 68 VAL H 1 68 VAL HB 2.730 . 3.660 3.135 2.974 3.268 . 0 0 "[ . 1 . 2]" 1
762 1 67 ARG HB2 1 68 VAL H 3.390 . 4.980 4.491 4.397 4.569 . 0 0 "[ . 1 . 2]" 1
763 1 67 ARG HB3 1 68 VAL H 3.390 . 4.980 4.431 4.241 4.522 . 0 0 "[ . 1 . 2]" 1
764 1 68 VAL H 1 82 LEU HG 4.190 . 6.580 5.861 5.562 6.155 . 0 0 "[ . 1 . 2]" 1
765 1 68 VAL H 1 81 LEU HB3 3.310 . 4.820 3.464 3.275 3.622 . 0 0 "[ . 1 . 2]" 1
766 1 68 VAL H 1 68 VAL MG1 2.540 . 3.280 2.100 1.991 2.254 . 0 0 "[ . 1 . 2]" 1
767 1 68 VAL H 1 83 LEU MD1 3.160 . 4.520 4.209 3.937 4.541 0.021 11 0 "[ . 1 . 2]" 1
768 1 47 VAL HA 1 48 ALA H 2.540 . 3.280 2.189 2.107 2.243 . 0 0 "[ . 1 . 2]" 1
769 1 47 VAL HB 1 48 ALA H 3.210 . 4.620 3.581 2.813 4.348 . 0 0 "[ . 1 . 2]" 1
770 1 48 ALA H 1 48 ALA MB 2.740 . 3.680 2.904 2.858 2.944 . 0 0 "[ . 1 . 2]" 1
771 1 8 LEU MD1 1 48 ALA H 3.410 . 5.020 4.046 3.152 4.617 . 0 0 "[ . 1 . 2]" 1
772 1 66 ILE H 1 85 VAL H 3.560 . 5.320 4.536 4.121 5.115 . 0 0 "[ . 1 . 2]" 1
773 1 66 ILE H 1 83 LEU H 2.960 . 4.120 3.330 2.675 3.869 . 0 0 "[ . 1 . 2]" 1
774 1 66 ILE H 1 67 ARG H 3.280 . 4.760 4.248 4.049 4.552 . 0 0 "[ . 1 . 2]" 1
775 1 65 VAL HA 1 66 ILE H 2.510 . 3.220 2.150 2.107 2.195 . 0 0 "[ . 1 . 2]" 1
776 1 66 ILE H 1 84 VAL HA 3.130 . 4.460 3.804 3.317 4.119 . 0 0 "[ . 1 . 2]" 1
777 1 66 ILE H 1 83 LEU HB2 3.060 . 4.320 2.757 2.450 3.281 . 0 0 "[ . 1 . 2]" 1
778 1 65 VAL HB 1 66 ILE H 3.230 . 4.660 4.339 4.117 4.436 . 0 0 "[ . 1 . 2]" 1
779 1 66 ILE H 1 66 ILE HB 2.740 . 3.680 2.554 2.424 2.706 . 0 0 "[ . 1 . 2]" 1
780 1 65 VAL MG2 1 66 ILE H 3.120 . 4.440 3.910 2.503 4.309 . 0 0 "[ . 1 . 2]" 1
781 1 65 VAL MG1 1 66 ILE H 3.120 . 4.440 3.392 2.875 4.319 . 0 0 "[ . 1 . 2]" 1
782 1 23 GLY H 1 24 ARG H 3.240 . 4.680 3.529 2.223 4.573 . 0 0 "[ . 1 . 2]" 1
783 1 24 ARG H 1 79 GLY H 3.610 . 5.420 4.365 3.817 4.841 . 0 0 "[ . 1 . 2]" 1
784 1 23 GLY HA2 1 24 ARG H 2.790 . 3.780 2.401 2.175 3.476 . 0 0 "[ . 1 . 2]" 1
785 1 23 GLY HA3 1 24 ARG H 2.790 . 3.780 3.260 2.256 3.582 . 0 0 "[ . 1 . 2]" 1
786 1 24 ARG H 1 79 GLY HA3 3.460 . 5.120 2.905 2.311 3.670 . 0 0 "[ . 1 . 2]" 1
787 1 24 ARG H 1 24 ARG HB2 2.970 . 4.140 2.671 2.336 2.920 . 0 0 "[ . 1 . 2]" 1
788 1 24 ARG H 1 24 ARG HB3 2.510 . 3.220 2.440 2.264 2.612 . 0 0 "[ . 1 . 2]" 1
789 1 42 GLU H 1 43 ARG H 3.410 . 5.020 4.425 4.365 4.560 . 0 0 "[ . 1 . 2]" 1
790 1 3 THR H 1 3 THR HB 3.190 . 4.580 2.651 2.466 3.704 . 0 0 "[ . 1 . 2]" 1
791 1 3 THR H 1 3 THR MG 3.510 . 5.220 3.751 2.707 4.091 . 0 0 "[ . 1 . 2]" 1
792 1 4 ILE H 1 46 GLU H 3.380 . 4.960 4.657 4.034 5.164 0.204 15 0 "[ . 1 . 2]" 1
793 1 4 ILE H 1 5 ALA H 3.360 . 4.920 4.478 4.419 4.532 . 0 0 "[ . 1 . 2]" 1
794 1 4 ILE H 1 45 VAL HA 3.180 . 4.560 3.528 3.033 4.149 . 0 0 "[ . 1 . 2]" 1
795 1 4 ILE H 1 5 ALA HA 3.620 . 5.440 5.039 4.886 5.221 . 0 0 "[ . 1 . 2]" 1
796 1 3 THR HA 1 4 ILE H 2.520 . 3.240 2.304 2.171 2.388 . 0 0 "[ . 1 . 2]" 1
797 1 3 THR HB 1 4 ILE H 3.050 . 4.290 3.816 2.658 4.128 . 0 0 "[ . 1 . 2]" 1
798 1 4 ILE H 1 4 ILE HB 3.120 . 4.440 3.805 3.736 3.861 . 0 0 "[ . 1 . 2]" 1
799 1 4 ILE H 1 5 ALA MB 3.740 . 5.680 5.272 5.030 5.604 . 0 0 "[ . 1 . 2]" 1
800 1 3 THR MG 1 4 ILE H 2.730 . 3.660 2.273 2.046 3.377 . 0 0 "[ . 1 . 2]" 1
801 1 4 ILE H 1 4 ILE MG 2.830 . 3.860 2.687 2.498 3.053 . 0 0 "[ . 1 . 2]" 1
802 1 4 ILE H 1 4 ILE MD 3.380 . 4.960 3.863 3.723 3.971 . 0 0 "[ . 1 . 2]" 1
803 1 33 THR H 1 37 ALA H 3.530 . 5.260 4.645 4.443 4.979 . 0 0 "[ . 1 . 2]" 1
804 1 33 THR H 1 36 GLU H 3.320 . 4.840 4.322 4.083 4.657 . 0 0 "[ . 1 . 2]" 1
805 1 32 LEU HA 1 33 THR H 2.670 . 3.540 2.267 2.197 2.305 . 0 0 "[ . 1 . 2]" 1
806 1 33 THR H 1 36 GLU HA 3.930 . 6.060 6.097 5.971 6.172 0.112 14 0 "[ . 1 . 2]" 1
807 1 33 THR H 1 36 GLU HB2 2.800 . 3.800 3.117 3.057 3.182 . 0 0 "[ . 1 . 2]" 1
808 1 33 THR H 1 36 GLU HB3 3.130 . 4.460 4.539 4.434 4.653 0.193 3 0 "[ . 1 . 2]" 1
809 1 32 LEU HB2 1 33 THR H 3.300 . 4.800 4.085 4.007 4.276 . 0 0 "[ . 1 . 2]" 1
810 1 33 THR H 1 33 THR MG 2.570 . 3.340 2.352 2.095 3.693 0.353 14 0 "[ . 1 . 2]" 1
811 1 32 LEU MD1 1 33 THR H 2.850 . 3.900 2.340 2.161 2.571 . 0 0 "[ . 1 . 2]" 1
812 1 34 LEU H 1 35 GLU H 2.910 . 4.020 2.657 2.515 2.753 . 0 0 "[ . 1 . 2]" 1
813 1 33 THR HB 1 34 LEU H 3.150 . 4.500 4.083 3.841 4.251 . 0 0 "[ . 1 . 2]" 1
814 1 33 THR HA 1 34 LEU H 2.730 . 3.660 2.371 2.292 2.458 . 0 0 "[ . 1 . 2]" 1
815 1 34 LEU H 1 34 LEU HG 2.620 . 3.440 2.284 2.126 2.433 . 0 0 "[ . 1 . 2]" 1
816 1 33 THR MG 1 34 LEU H 2.920 . 4.040 3.282 2.443 3.475 . 0 0 "[ . 1 . 2]" 1
817 1 34 LEU H 1 34 LEU MD2 3.280 . 4.760 3.244 2.998 3.502 . 0 0 "[ . 1 . 2]" 1
818 1 6 LEU MD2 1 7 ALA H 3.220 . 4.640 4.098 3.169 4.525 . 0 0 "[ . 1 . 2]" 1
819 1 7 ALA H 1 8 LEU HB2 3.530 . 5.260 5.221 4.208 5.368 0.108 8 0 "[ . 1 . 2]" 1
820 1 8 LEU HA 1 28 ALA H 3.780 . 5.760 5.198 4.950 5.440 . 0 0 "[ . 1 . 2]" 1
821 1 6 LEU H 1 28 ALA MB 4.100 . 6.400 5.872 5.703 6.065 . 0 0 "[ . 1 . 2]" 1
822 1 6 LEU H 1 6 LEU MD1 2.900 . 4.000 4.037 3.824 4.246 0.246 11 0 "[ . 1 . 2]" 1
823 1 81 LEU H 1 82 LEU H 3.610 . 5.420 4.191 4.075 4.358 . 0 0 "[ . 1 . 2]" 1
824 1 9 LEU H 1 9 LEU HG 2.830 . 3.860 2.295 2.113 2.508 . 0 0 "[ . 1 . 2]" 1
825 1 27 ARG H 1 28 ALA MB 3.650 . 5.500 4.623 4.512 4.703 . 0 0 "[ . 1 . 2]" 1
826 1 44 VAL HB 1 45 VAL H 3.250 . 4.700 4.287 4.073 4.451 . 0 0 "[ . 1 . 2]" 1
827 1 1 MET QB 1 1 MET QG 2.160 . 2.530 2.055 2.005 2.109 . 0 0 "[ . 1 . 2]" 1
828 1 1 MET QB 1 43 ARG HA 3.770 . 5.740 5.507 4.765 5.787 0.047 15 0 "[ . 1 . 2]" 1
829 1 1 MET QB 1 43 ARG HB2 3.800 . 5.800 5.776 5.543 5.892 0.092 1 0 "[ . 1 . 2]" 1
830 1 1 MET QB 1 43 ARG QD 3.480 . 5.160 4.568 3.939 5.068 . 0 0 "[ . 1 . 2]" 1
831 1 2 SER QB 1 33 THR HB 3.420 . 5.040 2.447 2.015 4.303 . 0 0 "[ . 1 . 2]" 1
832 1 3 THR MG 1 45 VAL QG 4.280 . 6.760 4.354 4.042 5.449 . 0 0 "[ . 1 . 2]" 1
833 1 4 ILE H 1 4 ILE QG 2.960 . 4.120 2.218 2.071 2.369 . 0 0 "[ . 1 . 2]" 1
834 1 4 ILE H 1 45 VAL QG 3.640 . 5.480 4.125 3.601 4.500 . 0 0 "[ . 1 . 2]" 1
835 1 4 ILE QG 1 4 ILE MG 2.590 . 3.380 2.398 2.366 2.490 . 0 0 "[ . 1 . 2]" 1
836 1 4 ILE MG 1 43 ARG QG 3.620 . 5.440 2.774 2.253 3.519 . 0 0 "[ . 1 . 2]" 1
837 1 4 ILE MG 1 45 VAL QG 3.380 . 4.960 4.203 3.888 4.530 . 0 0 "[ . 1 . 2]" 1
838 1 4 ILE QG 1 5 ALA H 2.950 . 4.100 3.388 3.176 3.717 . 0 0 "[ . 1 . 2]" 1
839 1 4 ILE QG 1 45 VAL QG 3.080 . 4.360 2.128 1.889 2.499 . 0 0 "[ . 1 . 2]" 1
840 1 4 ILE HG12 1 45 VAL MG2 4.300 . 6.800 3.090 2.498 3.909 . 0 0 "[ . 1 . 2]" 1
841 1 4 ILE QG 1 46 GLU H 3.270 . 4.740 4.203 3.760 4.845 0.105 20 0 "[ . 1 . 2]" 1
842 1 4 ILE MD 1 43 ARG QD 3.110 . 4.420 3.301 2.713 3.691 . 0 0 "[ . 1 . 2]" 1
843 1 4 ILE MD 1 45 VAL QG 3.360 . 4.920 2.344 1.762 2.903 0.038 1 0 "[ . 1 . 2]" 1
844 1 4 ILE MD 1 54 VAL QG 3.400 . 5.000 3.351 2.819 3.998 . 0 0 "[ . 1 . 2]" 1
845 1 5 ALA MB 1 45 VAL QG 3.330 . 4.860 3.756 3.539 4.022 . 0 0 "[ . 1 . 2]" 1
846 1 6 LEU H 1 6 LEU QB 2.650 . 3.500 2.322 2.085 2.699 . 0 0 "[ . 1 . 2]" 1
847 1 6 LEU H 1 45 VAL QG 2.870 . 3.940 2.735 2.062 3.647 . 0 0 "[ . 1 . 2]" 1
848 1 6 LEU HA 1 45 VAL QG 3.200 . 4.600 3.216 2.751 3.588 . 0 0 "[ . 1 . 2]" 1
849 1 6 LEU HA 1 47 VAL QG 3.600 . 5.400 3.834 3.576 4.302 . 0 0 "[ . 1 . 2]" 1
850 1 6 LEU QB 1 6 LEU MD1 2.590 . 3.380 2.386 2.355 2.415 . 0 0 "[ . 1 . 2]" 1
851 1 6 LEU QB 1 6 LEU MD2 2.620 . 3.440 2.091 2.072 2.125 . 0 0 "[ . 1 . 2]" 1
852 1 6 LEU QB 1 7 ALA H 3.120 . 4.440 3.212 1.721 3.607 0.079 16 0 "[ . 1 . 2]" 1
853 1 6 LEU QB 1 28 ALA MB 2.550 . 3.300 3.511 3.358 3.631 0.331 13 0 "[ . 1 . 2]" 1
854 1 6 LEU QB 1 47 VAL QG 2.590 . 3.380 1.794 1.717 1.958 0.083 15 0 "[ . 1 . 2]" 1
855 1 6 LEU MD1 1 29 GLU QB 3.600 . 5.400 4.298 4.146 4.654 . 0 0 "[ . 1 . 2]" 1
856 1 6 LEU MD2 1 45 VAL QG 3.190 . 4.580 2.608 2.011 3.051 . 0 0 "[ . 1 . 2]" 1
857 1 6 LEU MD2 1 47 VAL QG 2.790 . 3.780 2.211 1.877 2.542 . 0 0 "[ . 1 . 2]" 1
858 1 8 LEU H 1 47 VAL QG 3.620 . 5.440 4.045 3.327 4.734 . 0 0 "[ . 1 . 2]" 1
859 1 8 LEU HA 1 26 LEU QD 3.120 . 4.440 2.503 2.174 2.918 . 0 0 "[ . 1 . 2]" 1
860 1 8 LEU HG 1 47 VAL QG 3.390 . 4.980 2.340 1.869 2.768 . 0 0 "[ . 1 . 2]" 1
861 1 8 LEU MD1 1 26 LEU QD 3.220 . 4.640 3.375 3.103 3.703 . 0 0 "[ . 1 . 2]" 1
862 1 8 LEU MD1 1 47 VAL QG 3.330 . 4.860 2.161 1.836 2.657 . 0 0 "[ . 1 . 2]" 1
863 1 8 LEU MD2 1 47 VAL QG 3.150 . 4.510 2.833 2.276 3.129 . 0 0 "[ . 1 . 2]" 1
864 1 9 LEU H 1 9 LEU QB 2.710 . 3.620 2.518 2.448 2.600 . 0 0 "[ . 1 . 2]" 1
865 1 9 LEU HA 1 10 PRO QG 3.300 . 4.800 4.022 3.808 4.259 . 0 0 "[ . 1 . 2]" 1
866 1 9 LEU HA 1 10 PRO QD 2.710 . 3.620 2.101 1.902 2.351 . 0 0 "[ . 1 . 2]" 1
867 1 9 LEU QB 1 9 LEU MD2 2.770 . 3.740 2.390 2.329 2.440 . 0 0 "[ . 1 . 2]" 1
868 1 9 LEU QB 1 10 PRO QD 2.950 . 4.100 2.618 1.997 3.252 . 0 0 "[ . 1 . 2]" 1
869 1 9 LEU MD1 1 27 ARG QB 3.150 . 4.500 3.148 2.136 3.822 . 0 0 "[ . 1 . 2]" 1
870 1 9 LEU MD1 1 29 GLU QB 3.310 . 4.820 3.699 2.723 4.481 . 0 0 "[ . 1 . 2]" 1
871 1 9 LEU MD1 1 29 GLU QG 3.270 . 4.740 2.488 2.035 3.100 . 0 0 "[ . 1 . 2]" 1
872 1 9 LEU MD2 1 10 PRO QD 2.700 . 3.600 3.124 2.822 3.385 . 0 0 "[ . 1 . 2]" 1
873 1 9 LEU MD2 1 29 GLU QG 2.970 . 4.140 3.334 2.818 4.204 0.064 2 0 "[ . 1 . 2]" 1
874 1 10 PRO HA 1 11 LEU QB 3.480 . 5.160 4.507 4.042 4.799 . 0 0 "[ . 1 . 2]" 1
875 1 10 PRO HA 1 11 LEU QD 3.400 . 5.000 3.843 2.898 4.777 . 0 0 "[ . 1 . 2]" 1
876 1 10 PRO HB2 1 11 LEU QB 3.300 . 4.800 4.601 3.556 4.979 0.179 14 0 "[ . 1 . 2]" 1
877 1 10 PRO HB2 1 11 LEU QD 3.150 . 4.510 3.721 2.061 4.648 0.138 13 0 "[ . 1 . 2]" 1
878 1 10 PRO QG 1 11 LEU H 3.390 . 4.980 4.171 2.690 4.923 . 0 0 "[ . 1 . 2]" 1
879 1 11 LEU H 1 11 LEU QB 2.900 . 4.000 2.614 2.246 3.281 . 0 0 "[ . 1 . 2]" 1
880 1 11 LEU HA 1 11 LEU QD 2.700 . 3.600 2.939 1.859 3.537 . 0 0 "[ . 1 . 2]" 1
881 1 11 LEU QB 1 12 GLY H 3.100 . 4.400 3.186 1.975 4.068 . 0 0 "[ . 1 . 2]" 1
882 1 11 LEU QD 1 12 GLY QA 2.930 . 4.060 3.790 2.674 4.462 0.402 13 0 "[ . 1 . 2]" 1
883 1 21 GLY QA 1 22 SER H 2.610 . 3.420 2.386 2.128 2.867 . 0 0 "[ . 1 . 2]" 1
884 1 22 SER H 1 22 SER QB 2.780 . 3.760 2.687 2.334 3.442 . 0 0 "[ . 1 . 2]" 1
885 1 23 GLY QA 1 24 ARG H 2.510 . 3.220 2.266 2.142 2.659 . 0 0 "[ . 1 . 2]" 1
886 1 23 GLY QA 1 79 GLY H 3.030 . 4.260 4.148 3.497 4.367 0.107 10 0 "[ . 1 . 2]" 1
887 1 23 GLY QA 1 80 ASP H 3.540 . 5.280 4.175 3.157 5.355 0.075 20 0 "[ . 1 . 2]" 1
888 1 24 ARG H 1 24 ARG QD 3.470 . 5.140 4.695 4.278 4.941 . 0 0 "[ . 1 . 2]" 1
889 1 24 ARG HA 1 24 ARG QD 3.440 . 5.080 3.858 2.535 4.357 . 0 0 "[ . 1 . 2]" 1
890 1 24 ARG QD 1 25 ASP H 3.290 . 4.780 4.257 2.439 4.950 0.170 9 0 "[ . 1 . 2]" 1
891 1 24 ARG QD 1 26 LEU HG 3.720 . 5.640 4.344 3.262 5.128 . 0 0 "[ . 1 . 2]" 1
892 1 24 ARG QD 1 26 LEU QD 2.890 . 3.980 3.855 2.870 4.227 0.247 16 0 "[ . 1 . 2]" 1
893 1 24 ARG QD 1 72 GLY QA 3.610 . 5.420 5.108 3.846 5.622 0.202 7 0 "[ . 1 . 2]" 1
894 1 25 ASP H 1 25 ASP QB 2.610 . 3.420 2.570 2.363 2.780 . 0 0 "[ . 1 . 2]" 1
895 1 25 ASP H 1 26 LEU QB 4.110 . 6.420 5.318 4.986 5.604 . 0 0 "[ . 1 . 2]" 1
896 1 25 ASP HA 1 72 GLY QA 3.990 . 6.180 3.947 3.521 4.508 . 0 0 "[ . 1 . 2]" 1
897 1 25 ASP QB 1 26 LEU H 2.920 . 4.040 3.145 2.697 3.913 . 0 0 "[ . 1 . 2]" 1
898 1 25 ASP QB 1 80 ASP H 3.500 . 5.200 4.248 3.536 4.965 . 0 0 "[ . 1 . 2]" 1
899 1 25 ASP QB 1 82 LEU H 3.940 . 6.080 4.878 4.092 6.147 0.067 4 0 "[ . 1 . 2]" 1
900 1 25 ASP QB 1 82 LEU HG 3.310 . 4.820 3.415 2.370 4.969 0.149 4 0 "[ . 1 . 2]" 1
901 1 25 ASP QB 1 82 LEU MD1 3.540 . 5.280 2.961 2.072 4.427 . 0 0 "[ . 1 . 2]" 1
902 1 25 ASP QB 1 82 LEU MD2 3.420 . 5.040 4.042 3.176 5.078 0.038 11 0 "[ . 1 . 2]" 1
903 1 26 LEU H 1 26 LEU QB 2.600 . 3.400 2.521 2.311 2.720 . 0 0 "[ . 1 . 2]" 1
904 1 26 LEU H 1 26 LEU QD 3.220 . 4.640 3.969 3.867 4.072 . 0 0 "[ . 1 . 2]" 1
905 1 26 LEU H 1 72 GLY QA 2.960 . 4.120 3.117 2.542 3.671 . 0 0 "[ . 1 . 2]" 1
906 1 26 LEU HA 1 26 LEU QD 2.600 . 3.400 2.769 2.610 2.926 . 0 0 "[ . 1 . 2]" 1
907 1 26 LEU HB2 1 26 LEU MD1 3.210 . 4.620 2.312 2.253 2.367 . 0 0 "[ . 1 . 2]" 1
908 1 26 LEU QB 1 72 GLY H 3.670 . 5.540 4.525 4.292 4.958 . 0 0 "[ . 1 . 2]" 1
909 1 26 LEU QB 1 72 GLY QA 3.060 . 4.320 2.182 2.010 2.488 . 0 0 "[ . 1 . 2]" 1
910 1 26 LEU QB 1 73 GLY H 3.090 . 4.380 3.472 2.863 4.038 . 0 0 "[ . 1 . 2]" 1
911 1 26 LEU QB 1 81 LEU H 4.240 . 6.680 5.237 4.901 5.602 . 0 0 "[ . 1 . 2]" 1
912 1 26 LEU QB 1 81 LEU MD1 2.770 . 3.740 2.091 1.969 2.287 . 0 0 "[ . 1 . 2]" 1
913 1 26 LEU QD 1 27 ARG H 2.680 . 3.560 2.458 2.165 2.822 . 0 0 "[ . 1 . 2]" 1
914 1 26 LEU QD 1 28 ALA HA 3.450 . 5.100 3.849 3.497 4.139 . 0 0 "[ . 1 . 2]" 1
915 1 26 LEU QD 1 72 GLY QA 2.990 . 4.180 2.578 2.289 3.099 . 0 0 "[ . 1 . 2]" 1
916 1 26 LEU QD 1 73 GLY HA2 3.410 . 5.020 3.775 2.779 4.585 . 0 0 "[ . 1 . 2]" 1
917 1 26 LEU QD 1 81 LEU MD1 3.010 . 4.220 2.091 1.910 2.331 . 0 0 "[ . 1 . 2]" 1
918 1 27 ARG H 1 27 ARG QB 2.620 . 3.440 2.344 2.264 2.840 . 0 0 "[ . 1 . 2]" 1
919 1 27 ARG QB 1 82 LEU MD1 3.180 . 4.560 3.379 2.534 4.066 . 0 0 "[ . 1 . 2]" 1
920 1 27 ARG QG 1 28 ALA H 2.850 . 3.900 3.030 2.368 4.082 0.182 17 0 "[ . 1 . 2]" 1
921 1 27 ARG QG 1 82 LEU MD1 3.340 . 4.880 3.763 1.846 4.916 0.036 19 0 "[ . 1 . 2]" 1
922 1 28 ALA MB 1 47 VAL QG 3.310 . 4.820 4.022 3.656 4.277 . 0 0 "[ . 1 . 2]" 1
923 1 29 GLU H 1 29 GLU QB 2.860 . 3.920 2.876 2.612 3.174 . 0 0 "[ . 1 . 2]" 1
924 1 29 GLU H 1 29 GLU QG 2.820 . 3.850 2.542 2.175 2.979 . 0 0 "[ . 1 . 2]" 1
925 1 29 GLU QB 1 30 LEU H 2.890 . 3.980 3.280 2.885 3.566 . 0 0 "[ . 1 . 2]" 1
926 1 29 GLU QB 1 30 LEU HA 3.990 . 6.180 4.427 4.184 4.653 . 0 0 "[ . 1 . 2]" 1
927 1 29 GLU QB 1 31 PRO HD3 3.500 . 5.200 4.158 3.418 5.086 . 0 0 "[ . 1 . 2]" 1
928 1 29 GLU QB 1 86 ARG H 3.770 . 5.740 4.998 4.640 5.352 . 0 0 "[ . 1 . 2]" 1
929 1 29 GLU QG 1 30 LEU H 3.700 . 5.600 4.442 4.010 4.989 . 0 0 "[ . 1 . 2]" 1
930 1 30 LEU HA 1 45 VAL QG 3.020 . 4.240 3.931 3.455 4.253 0.013 20 0 "[ . 1 . 2]" 1
931 1 30 LEU HB2 1 45 VAL QG 2.800 . 3.800 3.211 2.760 3.796 . 0 0 "[ . 1 . 2]" 1
932 1 30 LEU HB3 1 45 VAL QG 3.150 . 4.510 3.038 2.118 4.694 0.184 17 0 "[ . 1 . 2]" 1
933 1 30 LEU HG 1 45 VAL QG 4.020 . 6.240 4.579 3.748 5.512 . 0 0 "[ . 1 . 2]" 1
934 1 30 LEU MD1 1 43 ARG QG 2.950 . 4.100 3.857 3.441 4.132 0.032 6 0 "[ . 1 . 2]" 1
935 1 30 LEU MD1 1 45 VAL QG 3.530 . 5.260 3.780 1.769 4.587 0.031 17 0 "[ . 1 . 2]" 1
936 1 30 LEU MD1 1 54 VAL QG 2.860 . 3.920 3.602 3.174 4.037 0.117 12 0 "[ . 1 . 2]" 1
937 1 31 PRO HG2 1 45 VAL QG 3.800 . 5.800 5.470 4.982 5.725 . 0 0 "[ . 1 . 2]" 1
938 1 32 LEU MD1 1 43 ARG QD 3.510 . 5.220 3.456 2.180 4.277 . 0 0 "[ . 1 . 2]" 1
939 1 33 THR H 1 36 GLU QG 3.150 . 4.500 3.838 3.279 4.085 . 0 0 "[ . 1 . 2]" 1
940 1 34 LEU H 1 34 LEU QB 2.750 . 3.700 2.486 2.417 2.573 . 0 0 "[ . 1 . 2]" 1
941 1 34 LEU QB 1 34 LEU MD2 2.750 . 3.700 2.410 2.356 2.446 . 0 0 "[ . 1 . 2]" 1
942 1 34 LEU QB 1 35 GLU H 2.720 . 3.640 2.797 2.657 3.053 . 0 0 "[ . 1 . 2]" 1
943 1 34 LEU QB 1 36 GLU H 3.790 . 5.780 4.859 4.649 5.073 . 0 0 "[ . 1 . 2]" 1
944 1 35 GLU H 1 35 GLU QB 2.790 . 3.780 2.637 2.553 2.701 . 0 0 "[ . 1 . 2]" 1
945 1 35 GLU H 1 35 GLU QG 2.930 . 4.060 2.870 2.756 3.028 . 0 0 "[ . 1 . 2]" 1
946 1 35 GLU QB 1 36 GLU HB2 3.550 . 5.300 4.340 4.075 4.729 . 0 0 "[ . 1 . 2]" 1
947 1 36 GLU H 1 36 GLU QG 2.660 . 3.520 2.479 2.278 2.698 . 0 0 "[ . 1 . 2]" 1
948 1 38 PHE HA 1 59 GLY QA 3.200 . 4.600 3.445 2.445 4.371 . 0 0 "[ . 1 . 2]" 1
949 1 41 GLY QA 1 42 GLU H 2.500 . 3.200 2.238 2.170 2.283 . 0 0 "[ . 1 . 2]" 1
950 1 41 GLY QA 1 56 ILE H 3.310 . 4.820 4.157 3.734 4.398 . 0 0 "[ . 1 . 2]" 1
951 1 43 ARG H 1 43 ARG QD 3.510 . 5.220 4.845 4.691 5.231 0.011 16 0 "[ . 1 . 2]" 1
952 1 43 ARG HA 1 43 ARG QD 3.200 . 4.600 2.673 2.460 3.355 . 0 0 "[ . 1 . 2]" 1
953 1 43 ARG QG 1 44 VAL H 2.950 . 4.100 3.528 2.812 3.761 . 0 0 "[ . 1 . 2]" 1
954 1 43 ARG QG 1 45 VAL QG 3.420 . 5.040 3.392 2.358 4.290 . 0 0 "[ . 1 . 2]" 1
955 1 43 ARG QG 1 54 VAL QG 2.900 . 4.000 3.702 2.991 4.203 0.203 19 0 "[ . 1 . 2]" 1
956 1 43 ARG QG 1 56 ILE MD 3.610 . 5.420 3.351 2.864 4.128 . 0 0 "[ . 1 . 2]" 1
957 1 43 ARG QD 1 44 VAL H 3.000 . 4.200 2.463 1.903 3.594 . 0 0 "[ . 1 . 2]" 1
958 1 43 ARG QD 1 44 VAL HA 3.570 . 5.340 4.515 4.121 5.605 0.265 7 0 "[ . 1 . 2]" 1
959 1 43 ARG QD 1 44 VAL HB 3.220 . 4.640 3.700 3.274 4.818 0.178 8 0 "[ . 1 . 2]" 1
960 1 44 VAL HA 1 45 VAL QG 3.260 . 4.730 3.603 3.468 3.724 . 0 0 "[ . 1 . 2]" 1
961 1 44 VAL MG1 1 51 ARG QB 3.180 . 4.560 3.754 3.420 3.980 . 0 0 "[ . 1 . 2]" 1
962 1 45 VAL H 1 45 VAL QG 2.580 . 3.360 2.371 2.057 2.657 . 0 0 "[ . 1 . 2]" 1
963 1 45 VAL H 1 51 ARG QB 4.100 . 6.400 5.722 5.262 6.412 0.012 14 0 "[ . 1 . 2]" 1
964 1 45 VAL QG 1 46 GLU H 2.630 . 3.460 2.855 2.487 3.147 . 0 0 "[ . 1 . 2]" 1
965 1 45 VAL QG 1 46 GLU HA 3.350 . 4.900 3.827 3.531 4.220 . 0 0 "[ . 1 . 2]" 1
966 1 45 VAL QG 1 52 VAL HB 3.640 . 5.480 4.144 1.887 5.283 . 0 0 "[ . 1 . 2]" 1
967 1 45 VAL QG 1 52 VAL QG 2.820 . 3.840 2.606 1.965 3.299 . 0 0 "[ . 1 . 2]" 1
968 1 45 VAL QG 1 54 VAL H 3.480 . 5.160 3.287 2.626 3.805 . 0 0 "[ . 1 . 2]" 1
969 1 45 VAL QG 1 54 VAL QG 3.440 . 5.080 2.274 2.004 2.946 . 0 0 "[ . 1 . 2]" 1
970 1 45 VAL QG 1 68 VAL MG1 4.120 . 6.440 5.134 4.553 5.687 . 0 0 "[ . 1 . 2]" 1
971 1 45 VAL QG 1 81 LEU MD2 3.820 . 5.840 4.340 3.860 4.883 . 0 0 "[ . 1 . 2]" 1
972 1 45 VAL QG 1 83 LEU MD1 3.450 . 5.100 3.331 2.903 3.719 . 0 0 "[ . 1 . 2]" 1
973 1 45 VAL QG 1 83 LEU MD2 3.280 . 4.760 3.420 3.004 3.802 . 0 0 "[ . 1 . 2]" 1
974 1 46 GLU HA 1 47 VAL QG 3.210 . 4.620 3.497 3.238 3.811 . 0 0 "[ . 1 . 2]" 1
975 1 46 GLU QB 1 51 ARG HA 3.570 . 5.340 3.446 2.549 4.357 . 0 0 "[ . 1 . 2]" 1
976 1 47 VAL H 1 47 VAL QG 2.400 . 3.000 2.381 2.213 2.512 . 0 0 "[ . 1 . 2]" 1
977 1 47 VAL H 1 50 ARG QD 4.130 . 6.460 5.546 5.108 6.115 . 0 0 "[ . 1 . 2]" 1
978 1 47 VAL QG 1 48 ALA H 3.130 . 4.460 3.097 2.356 3.773 . 0 0 "[ . 1 . 2]" 1
979 1 47 VAL QG 1 48 ALA HA 3.750 . 5.700 4.382 3.607 5.059 . 0 0 "[ . 1 . 2]" 1
980 1 47 VAL QG 1 48 ALA MB 3.330 . 4.860 3.030 2.325 3.613 . 0 0 "[ . 1 . 2]" 1
981 1 47 VAL QG 1 49 GLY H 3.700 . 5.600 4.353 4.094 4.571 . 0 0 "[ . 1 . 2]" 1
982 1 47 VAL QG 1 50 ARG H 3.060 . 4.320 3.843 3.223 4.223 . 0 0 "[ . 1 . 2]" 1
983 1 47 VAL QG 1 50 ARG QD 3.680 . 5.560 4.244 2.828 5.405 . 0 0 "[ . 1 . 2]" 1
984 1 47 VAL QG 1 81 LEU MD1 3.540 . 5.280 4.583 3.989 4.900 . 0 0 "[ . 1 . 2]" 1
985 1 47 VAL QG 1 81 LEU MD2 3.290 . 4.780 3.906 3.078 4.423 . 0 0 "[ . 1 . 2]" 1
986 1 49 GLY QA 1 50 ARG HB3 3.910 . 6.020 4.958 4.832 5.092 . 0 0 "[ . 1 . 2]" 1
987 1 50 ARG H 1 50 ARG QG 3.360 . 4.920 4.059 3.970 4.184 . 0 0 "[ . 1 . 2]" 1
988 1 50 ARG HA 1 50 ARG QG 2.820 . 3.840 2.716 2.517 3.142 . 0 0 "[ . 1 . 2]" 1
989 1 50 ARG HA 1 50 ARG QD 3.430 . 5.060 3.696 2.122 4.387 . 0 0 "[ . 1 . 2]" 1
990 1 50 ARG HB2 1 50 ARG QD 2.680 . 3.560 2.837 2.419 3.162 . 0 0 "[ . 1 . 2]" 1
991 1 50 ARG QG 1 51 ARG H 3.020 . 4.240 3.040 2.108 3.530 . 0 0 "[ . 1 . 2]" 1
992 1 50 ARG QD 1 52 VAL QG 3.400 . 5.000 3.610 2.426 5.023 0.023 10 0 "[ . 1 . 2]" 1
993 1 50 ARG QD 1 71 MET ME 3.430 . 5.060 3.328 1.863 5.088 0.028 6 0 "[ . 1 . 2]" 1
994 1 51 ARG H 1 51 ARG QB 2.360 . 2.920 2.333 2.229 2.468 . 0 0 "[ . 1 . 2]" 1
995 1 51 ARG HA 1 52 VAL QG 2.990 . 4.180 3.723 3.605 3.852 . 0 0 "[ . 1 . 2]" 1
996 1 51 ARG QB 1 51 ARG QD 2.680 . 3.560 2.363 2.155 2.421 . 0 0 "[ . 1 . 2]" 1
997 1 52 VAL H 1 52 VAL QG 2.700 . 3.600 2.300 2.053 2.647 . 0 0 "[ . 1 . 2]" 1
998 1 52 VAL HA 1 52 VAL QG 2.430 . 3.060 2.326 2.199 2.416 . 0 0 "[ . 1 . 2]" 1
999 1 52 VAL QG 1 53 SER H 2.500 . 3.200 2.845 2.345 3.115 . 0 0 "[ . 1 . 2]" 1
1000 1 52 VAL QG 1 53 SER HA 3.020 . 4.240 3.810 3.592 4.103 . 0 0 "[ . 1 . 2]" 1
1001 1 52 VAL QG 1 68 VAL MG1 2.940 . 4.080 3.247 2.604 3.911 . 0 0 "[ . 1 . 2]" 1
1002 1 52 VAL QG 1 68 VAL MG2 3.010 . 4.220 3.289 1.993 4.235 0.015 5 0 "[ . 1 . 2]" 1
1003 1 52 VAL QG 1 71 MET QG 2.890 . 3.980 2.962 2.137 4.099 0.119 16 0 "[ . 1 . 2]" 1
1004 1 52 VAL QG 1 71 MET ME 2.670 . 3.540 2.162 1.678 3.031 0.122 13 0 "[ . 1 . 2]" 1
1005 1 52 VAL QG 1 81 LEU MD2 3.390 . 4.980 3.052 2.315 3.666 . 0 0 "[ . 1 . 2]" 1
1006 1 52 VAL QG 1 83 LEU HG 3.850 . 5.900 5.157 4.325 5.685 . 0 0 "[ . 1 . 2]" 1
1007 1 52 VAL QG 1 83 LEU MD1 2.850 . 3.900 3.241 2.382 3.850 . 0 0 "[ . 1 . 2]" 1
1008 1 52 VAL QG 1 83 LEU MD2 2.900 . 4.000 3.691 3.218 4.053 0.053 13 0 "[ . 1 . 2]" 1
1009 1 53 SER QB 1 54 VAL H 2.920 . 4.040 3.907 3.742 3.984 . 0 0 "[ . 1 . 2]" 1
1010 1 54 VAL H 1 54 VAL QG 3.130 . 4.460 2.065 1.942 2.306 . 0 0 "[ . 1 . 2]" 1
1011 1 54 VAL QG 1 55 ARG H 2.590 . 3.380 3.101 2.681 3.553 0.173 15 0 "[ . 1 . 2]" 1
1012 1 54 VAL QG 1 56 ILE H 3.500 . 5.200 3.576 2.961 4.200 . 0 0 "[ . 1 . 2]" 1
1013 1 54 VAL QG 1 56 ILE HG12 3.670 . 5.540 4.394 3.720 5.038 . 0 0 "[ . 1 . 2]" 1
1014 1 54 VAL QG 1 56 ILE MD 3.230 . 4.660 3.960 3.581 4.424 . 0 0 "[ . 1 . 2]" 1
1015 1 54 VAL QG 1 66 ILE MG 2.820 . 3.850 2.503 2.005 3.474 . 0 0 "[ . 1 . 2]" 1
1016 1 54 VAL QG 1 66 ILE QG 3.180 . 4.560 3.951 3.528 4.639 0.079 5 0 "[ . 1 . 2]" 1
1017 1 54 VAL QG 1 66 ILE MD 3.210 . 4.620 2.360 1.964 3.043 . 0 0 "[ . 1 . 2]" 1
1018 1 54 VAL QG 1 83 LEU HB3 3.250 . 4.700 3.744 3.406 4.121 . 0 0 "[ . 1 . 2]" 1
1019 1 54 VAL QG 1 83 LEU HG 3.920 . 6.040 4.179 3.870 4.411 . 0 0 "[ . 1 . 2]" 1
1020 1 54 VAL QG 1 83 LEU MD1 2.960 . 4.120 1.990 1.806 2.247 . 0 0 "[ . 1 . 2]" 1
1021 1 54 VAL QG 1 83 LEU MD2 3.230 . 4.660 3.689 3.272 4.047 . 0 0 "[ . 1 . 2]" 1
1022 1 55 ARG H 1 55 ARG QB 2.580 . 3.360 2.333 2.251 2.442 . 0 0 "[ . 1 . 2]" 1
1023 1 55 ARG H 1 55 ARG QG 3.160 . 4.520 4.035 3.974 4.103 . 0 0 "[ . 1 . 2]" 1
1024 1 55 ARG H 1 55 ARG QD 3.750 . 5.700 4.763 4.496 5.032 . 0 0 "[ . 1 . 2]" 1
1025 1 55 ARG HA 1 55 ARG QG 2.950 . 4.100 2.481 2.340 2.610 . 0 0 "[ . 1 . 2]" 1
1026 1 55 ARG QB 1 55 ARG QD 2.710 . 3.620 2.314 2.147 2.429 . 0 0 "[ . 1 . 2]" 1
1027 1 55 ARG QB 1 56 ILE H 3.360 . 4.920 3.937 3.769 4.022 . 0 0 "[ . 1 . 2]" 1
1028 1 55 ARG QG 1 56 ILE H 3.300 . 4.800 3.345 2.833 3.614 . 0 0 "[ . 1 . 2]" 1
1029 1 55 ARG QD 1 56 ILE H 3.790 . 5.780 5.318 4.864 5.542 . 0 0 "[ . 1 . 2]" 1
1030 1 58 PRO QB 1 60 VAL H 3.730 . 5.660 4.997 4.867 5.167 . 0 0 "[ . 1 . 2]" 1
1031 1 61 ARG H 1 61 ARG QD 3.630 . 5.460 4.428 3.918 4.967 . 0 0 "[ . 1 . 2]" 1
1032 1 61 ARG HA 1 61 ARG QD 3.380 . 4.950 4.164 4.078 4.228 . 0 0 "[ . 1 . 2]" 1
1033 1 61 ARG QD 1 62 GLU H 3.640 . 5.480 4.846 4.395 5.342 . 0 0 "[ . 1 . 2]" 1
1034 1 62 GLU H 1 62 GLU QB 2.450 . 3.100 2.206 2.160 2.233 . 0 0 "[ . 1 . 2]" 1
1035 1 62 GLU H 1 62 GLU QG 3.350 . 4.900 4.027 3.996 4.070 . 0 0 "[ . 1 . 2]" 1
1036 1 62 GLU QB 1 64 SER H 4.350 . 6.900 5.008 4.911 5.103 . 0 0 "[ . 1 . 2]" 1
1037 1 62 GLU QB 1 87 LEU H 3.080 . 4.360 2.902 2.452 4.021 . 0 0 "[ . 1 . 2]" 1
1038 1 62 GLU QB 1 87 LEU MD1 3.130 . 4.460 3.653 3.145 4.261 . 0 0 "[ . 1 . 2]" 1
1039 1 62 GLU QG 1 63 GLY H 3.190 . 4.580 3.328 3.107 3.548 . 0 0 "[ . 1 . 2]" 1
1040 1 62 GLU QG 1 87 LEU H 3.440 . 5.080 4.029 3.726 4.496 . 0 0 "[ . 1 . 2]" 1
1041 1 63 GLY H 1 84 VAL QG 2.910 . 4.020 3.223 2.849 3.598 . 0 0 "[ . 1 . 2]" 1
1042 1 63 GLY H 1 86 ARG QD 3.640 . 5.480 3.972 3.665 4.240 . 0 0 "[ . 1 . 2]" 1
1043 1 63 GLY HA2 1 84 VAL QG 2.840 . 3.880 2.412 2.162 2.741 . 0 0 "[ . 1 . 2]" 1
1044 1 63 GLY HA3 1 84 VAL QG 3.420 . 5.040 3.772 3.459 4.068 . 0 0 "[ . 1 . 2]" 1
1045 1 64 SER HA 1 65 VAL QG 3.120 . 4.440 3.567 3.465 3.658 . 0 0 "[ . 1 . 2]" 1
1046 1 65 VAL H 1 65 VAL QG 2.500 . 3.200 2.360 1.986 2.561 . 0 0 "[ . 1 . 2]" 1
1047 1 65 VAL HA 1 84 VAL QG 3.060 . 4.320 3.358 2.916 3.763 . 0 0 "[ . 1 . 2]" 1
1048 1 65 VAL QG 1 66 ILE H 2.450 . 3.100 2.997 2.479 3.152 0.052 7 0 "[ . 1 . 2]" 1
1049 1 65 VAL QG 1 67 ARG HA 3.170 . 4.540 3.567 3.248 3.996 . 0 0 "[ . 1 . 2]" 1
1050 1 65 VAL QG 1 67 ARG QD 3.920 . 6.040 4.512 3.800 5.316 . 0 0 "[ . 1 . 2]" 1
1051 1 65 VAL QG 1 82 LEU MD1 3.310 . 4.820 3.246 2.885 3.551 . 0 0 "[ . 1 . 2]" 1
1052 1 65 VAL QG 1 82 LEU MD2 3.010 . 4.220 2.442 2.171 2.943 . 0 0 "[ . 1 . 2]" 1
1053 1 65 VAL QG 1 84 VAL QG 2.840 . 3.880 2.200 1.749 2.721 0.051 3 0 "[ . 1 . 2]" 1
1054 1 66 ILE H 1 66 ILE QG 3.200 . 4.600 2.356 2.192 2.661 . 0 0 "[ . 1 . 2]" 1
1055 1 66 ILE HA 1 66 ILE QG 2.890 . 3.980 2.528 2.456 2.591 . 0 0 "[ . 1 . 2]" 1
1056 1 66 ILE QG 1 66 ILE MG 2.530 . 3.260 2.399 2.365 2.442 . 0 0 "[ . 1 . 2]" 1
1057 1 66 ILE QG 1 67 ARG H 3.550 . 5.300 4.419 4.305 4.492 . 0 0 "[ . 1 . 2]" 1
1058 1 67 ARG H 1 67 ARG QB 2.460 . 3.120 2.291 2.248 2.485 . 0 0 "[ . 1 . 2]" 1
1059 1 67 ARG H 1 67 ARG QG 3.160 . 4.520 4.019 3.983 4.080 . 0 0 "[ . 1 . 2]" 1
1060 1 67 ARG H 1 67 ARG QD 3.490 . 5.180 4.504 4.397 4.807 . 0 0 "[ . 1 . 2]" 1
1061 1 67 ARG HA 1 67 ARG QG 2.930 . 4.070 2.505 2.397 2.654 . 0 0 "[ . 1 . 2]" 1
1062 1 67 ARG QB 1 68 VAL H 3.060 . 4.320 3.973 3.844 4.047 . 0 0 "[ . 1 . 2]" 1
1063 1 67 ARG QB 1 82 LEU MD2 3.250 . 4.700 2.793 2.491 3.164 . 0 0 "[ . 1 . 2]" 1
1064 1 67 ARG QG 1 68 VAL H 2.930 . 4.070 3.366 3.042 3.562 . 0 0 "[ . 1 . 2]" 1
1065 1 68 VAL MG2 1 71 MET QG 2.680 . 3.560 2.191 1.877 2.670 . 0 0 "[ . 1 . 2]" 1
1066 1 69 PRO HB2 1 70 GLY QA 3.550 . 5.300 3.853 3.737 4.051 . 0 0 "[ . 1 . 2]" 1
1067 1 70 GLY QA 1 72 GLY H 3.380 . 4.960 3.883 3.642 4.176 . 0 0 "[ . 1 . 2]" 1
1068 1 71 MET H 1 71 MET QG 3.070 . 4.340 3.048 2.641 4.265 . 0 0 "[ . 1 . 2]" 1
1069 1 71 MET H 1 72 GLY QA 3.440 . 5.080 4.068 3.890 4.286 . 0 0 "[ . 1 . 2]" 1
1070 1 71 MET ME 1 71 MET QG 2.810 . 3.820 2.374 2.226 2.555 . 0 0 "[ . 1 . 2]" 1
1071 1 72 GLY QA 1 80 ASP H 3.300 . 4.800 3.960 3.122 4.576 . 0 0 "[ . 1 . 2]" 1
1072 1 72 GLY QA 1 82 LEU H 3.880 . 5.960 4.681 4.419 5.008 . 0 0 "[ . 1 . 2]" 1
1073 1 74 GLN H 1 74 GLN QG 2.620 . 3.440 2.418 2.241 2.610 . 0 0 "[ . 1 . 2]" 1
1074 1 74 GLN HA 1 74 GLN QG 2.900 . 4.000 3.046 2.840 3.177 . 0 0 "[ . 1 . 2]" 1
1075 1 74 GLN QG 1 75 GLY H 3.580 . 5.360 4.564 4.224 4.883 . 0 0 "[ . 1 . 2]" 1
1076 1 78 PRO QB 1 79 GLY H 2.840 . 3.880 3.357 2.764 3.486 . 0 0 "[ . 1 . 2]" 1
1077 1 78 PRO QG 1 79 GLY H 3.590 . 5.380 4.730 4.282 4.922 . 0 0 "[ . 1 . 2]" 1
1078 1 80 ASP H 1 80 ASP QB 2.670 . 3.540 2.521 2.255 2.950 . 0 0 "[ . 1 . 2]" 1
1079 1 80 ASP QB 1 81 LEU H 2.840 . 3.880 2.953 2.184 3.666 . 0 0 "[ . 1 . 2]" 1
1080 1 80 ASP QB 1 82 LEU H 3.910 . 6.020 4.827 4.278 5.751 . 0 0 "[ . 1 . 2]" 1
1081 1 84 VAL H 1 84 VAL QG 3.040 . 4.280 2.155 1.967 2.315 . 0 0 "[ . 1 . 2]" 1
1082 1 84 VAL QG 1 85 VAL H 2.840 . 3.880 2.866 2.445 3.129 . 0 0 "[ . 1 . 2]" 1
1083 1 84 VAL QG 1 85 VAL HB 3.450 . 5.100 4.752 4.506 4.999 . 0 0 "[ . 1 . 2]" 1
1084 1 84 VAL QG 1 86 ARG H 3.800 . 5.800 4.694 4.367 4.900 . 0 0 "[ . 1 . 2]" 1
1085 1 84 VAL QG 1 86 ARG QD 3.200 . 4.600 2.717 2.079 3.865 . 0 0 "[ . 1 . 2]" 1
1086 1 86 ARG H 1 86 ARG QD 3.690 . 5.580 3.913 3.480 4.177 . 0 0 "[ . 1 . 2]" 1
1087 1 86 ARG QD 1 87 LEU H 3.260 . 4.730 4.065 3.654 4.595 . 0 0 "[ . 1 . 2]" 1
1088 1 88 LEU H 1 89 PRO QD 3.380 . 4.960 4.397 4.193 4.520 . 0 0 "[ . 1 . 2]" 1
1089 1 88 LEU HA 1 89 PRO QG 3.400 . 5.000 4.002 3.815 4.237 . 0 0 "[ . 1 . 2]" 1
1090 1 88 LEU HB2 1 89 PRO QD 3.300 . 4.800 3.969 3.483 4.361 . 0 0 "[ . 1 . 2]" 1
1091 1 88 LEU HB3 1 89 PRO QD 2.650 . 3.500 2.784 2.105 3.535 0.035 12 0 "[ . 1 . 2]" 1
1092 1 89 PRO QB 1 90 HIS H 3.030 . 4.260 3.340 2.578 4.092 . 0 0 "[ . 1 . 2]" 1
1093 1 89 PRO QG 1 90 HIS H 3.000 . 4.200 3.445 2.105 4.177 . 0 0 "[ . 1 . 2]" 1
1094 1 89 PRO QD 1 90 HIS H 3.290 . 4.780 2.975 2.479 3.628 . 0 0 "[ . 1 . 2]" 1
1095 1 90 HIS H 1 90 HIS QB 2.730 . 3.660 2.593 2.241 3.016 . 0 0 "[ . 1 . 2]" 1
1096 1 3 THR H 1 33 THR HB 4.200 . 6.600 5.679 4.546 6.626 0.026 14 0 "[ . 1 . 2]" 1
1097 1 3 THR MG 1 33 THR MG 4.200 . 6.600 6.016 5.698 6.412 . 0 0 "[ . 1 . 2]" 1
1098 1 3 THR MG 1 33 THR HB 4.200 . 6.600 6.903 6.802 7.014 0.414 12 0 "[ . 1 . 2]" 1
1099 1 3 THR MG 1 43 ARG QD 3.650 . 5.500 3.291 2.496 4.841 . 0 0 "[ . 1 . 2]" 1
1100 1 4 ILE MG 1 30 LEU MD2 3.280 . 4.760 4.912 4.805 4.998 0.238 19 0 "[ . 1 . 2]" 1
1101 1 4 ILE MG 1 43 ARG QD 3.650 . 5.500 2.357 2.028 3.220 . 0 0 "[ . 1 . 2]" 1
1102 1 4 ILE H 1 45 VAL MG1 3.650 . 5.500 5.122 4.392 5.555 0.055 9 0 "[ . 1 . 2]" 1
1103 1 4 ILE MG 1 45 VAL MG1 3.650 . 5.500 5.207 4.672 5.610 0.110 9 0 "[ . 1 . 2]" 1
1104 1 4 ILE MD 1 31 PRO QG 3.650 . 5.500 4.350 3.940 4.499 . 0 0 "[ . 1 . 2]" 1
1105 1 4 ILE MD 1 45 VAL MG1 3.650 . 5.500 3.363 3.095 3.882 . 0 0 "[ . 1 . 2]" 1
1106 1 5 ALA MB 1 45 VAL MG2 3.650 . 5.500 4.799 3.571 5.677 0.177 1 0 "[ . 1 . 2]" 1
1107 1 5 ALA MB 1 46 GLU HG2 3.650 . 5.500 5.065 3.514 5.641 0.141 2 0 "[ . 1 . 2]" 1
1108 1 5 ALA MB 1 46 GLU QB 3.650 . 5.500 4.487 3.027 5.749 0.249 15 0 "[ . 1 . 2]" 1
1109 1 6 LEU H 1 47 VAL QG 2.970 . 4.140 2.456 1.821 3.270 . 0 0 "[ . 1 . 2]" 1
1110 1 6 LEU QB 1 28 ALA HA 3.500 . 5.200 5.382 5.278 5.535 0.335 4 0 "[ . 1 . 2]" 1
1111 1 6 LEU QB 1 29 GLU H 3.220 . 4.640 4.815 4.687 4.975 0.335 7 0 "[ . 1 . 2]" 1
1112 1 6 LEU QB 1 45 VAL MG2 3.170 . 4.540 3.210 1.780 4.376 0.020 13 0 "[ . 1 . 2]" 1
1113 1 6 LEU QB 1 47 VAL HB 3.410 . 5.020 3.172 2.052 4.216 . 0 0 "[ . 1 . 2]" 1
1114 1 6 LEU QD 1 7 ALA H 3.190 . 4.580 2.757 2.573 3.240 . 0 0 "[ . 1 . 2]" 1
1115 1 6 LEU QD 1 28 ALA MB 2.620 . 3.440 1.987 1.850 2.055 . 0 0 "[ . 1 . 2]" 1
1116 1 6 LEU QD 1 29 GLU H 3.790 . 5.780 3.125 2.937 3.310 . 0 0 "[ . 1 . 2]" 1
1117 1 6 LEU QD 1 30 LEU HA 2.950 . 4.100 2.548 2.215 2.644 . 0 0 "[ . 1 . 2]" 1
1118 1 6 LEU QD 1 30 LEU HG 3.250 . 4.700 3.545 3.116 4.103 . 0 0 "[ . 1 . 2]" 1
1119 1 6 LEU QD 1 30 LEU QD 2.750 . 3.700 2.584 2.054 3.037 . 0 0 "[ . 1 . 2]" 1
1120 1 6 LEU QD 1 31 PRO QG 3.510 . 5.220 5.272 4.849 5.433 0.213 20 0 "[ . 1 . 2]" 1
1121 1 6 LEU QD 1 31 PRO HD2 2.960 . 4.120 3.984 3.443 4.173 0.053 20 0 "[ . 1 . 2]" 1
1122 1 6 LEU QD 1 31 PRO HD3 3.090 . 4.380 4.343 4.104 4.487 0.107 5 0 "[ . 1 . 2]" 1
1123 1 6 LEU QD 1 45 VAL HB 3.060 . 4.320 3.831 3.441 4.177 . 0 0 "[ . 1 . 2]" 1
1124 1 6 LEU QD 1 45 VAL MG1 2.720 . 3.640 2.374 1.842 3.094 . 0 0 "[ . 1 . 2]" 1
1125 1 6 LEU QD 1 45 VAL MG2 2.690 . 3.580 2.771 1.963 3.469 . 0 0 "[ . 1 . 2]" 1
1126 1 6 LEU QD 1 52 VAL QG 2.900 . 4.000 3.235 2.303 3.812 . 0 0 "[ . 1 . 2]" 1
1127 1 6 LEU QD 1 54 VAL QG 3.000 . 4.200 3.946 3.633 4.139 . 0 0 "[ . 1 . 2]" 1
1128 1 6 LEU QD 1 81 LEU QD 3.010 . 4.220 2.099 1.908 2.365 . 0 0 "[ . 1 . 2]" 1
1129 1 6 LEU QD 1 83 LEU HG 3.180 . 4.560 3.982 3.921 4.040 . 0 0 "[ . 1 . 2]" 1
1130 1 6 LEU QD 1 83 LEU MD1 2.820 . 3.850 3.263 3.044 3.522 . 0 0 "[ . 1 . 2]" 1
1131 1 6 LEU QD 1 83 LEU MD2 2.780 . 3.760 1.791 1.682 1.874 0.118 10 0 "[ . 1 . 2]" 1
1132 1 7 ALA MB 1 26 LEU MD2 3.650 . 5.500 5.215 4.879 5.551 0.051 10 0 "[ . 1 . 2]" 1
1133 1 7 ALA MB 1 47 VAL QG 3.610 . 5.420 4.804 4.100 5.679 0.259 11 0 "[ . 1 . 2]" 1
1134 1 8 LEU H 1 47 VAL MG1 3.510 . 5.220 4.654 3.915 5.193 . 0 0 "[ . 1 . 2]" 1
1135 1 8 LEU MD1 1 47 VAL MG1 3.230 . 4.660 2.820 2.098 3.690 . 0 0 "[ . 1 . 2]" 1
1136 1 8 LEU MD1 1 48 ALA HA 3.290 . 4.780 4.510 3.977 4.878 0.098 5 0 "[ . 1 . 2]" 1
1137 1 8 LEU MD1 1 26 LEU MD1 3.110 . 4.420 3.726 3.342 4.190 . 0 0 "[ . 1 . 2]" 1
1138 1 8 LEU MD1 1 26 LEU MD2 3.110 . 4.420 3.879 3.640 4.137 . 0 0 "[ . 1 . 2]" 1
1139 1 8 LEU MD2 1 26 LEU QB 3.150 . 4.510 3.918 3.629 4.257 . 0 0 "[ . 1 . 2]" 1
1140 1 8 LEU MD1 1 81 LEU MD1 3.100 . 4.400 4.380 4.217 4.516 0.116 16 0 "[ . 1 . 2]" 1
1141 1 8 LEU MD1 1 83 LEU MD2 3.910 . 6.020 5.837 5.606 6.107 0.087 16 0 "[ . 1 . 2]" 1
1142 1 9 LEU MD1 1 28 ALA MB 3.450 . 5.100 4.818 4.423 5.125 0.025 13 0 "[ . 1 . 2]" 1
1143 1 9 LEU MD1 1 29 GLU HB2 3.770 . 5.740 4.410 3.534 5.303 . 0 0 "[ . 1 . 2]" 1
1144 1 9 LEU MD1 1 29 GLU HG3 3.420 . 5.040 3.241 2.066 4.633 . 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 48
_Distance_constraint_stats_list.Viol_count 152
_Distance_constraint_stats_list.Viol_total 105.677
_Distance_constraint_stats_list.Viol_max 0.151
_Distance_constraint_stats_list.Viol_rms 0.0168
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0348
_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 24 ARG 1.151 0.126 15 0 "[ . 1 . 2]"
1 26 LEU 0.066 0.032 2 0 "[ . 1 . 2]"
1 28 ALA 0.258 0.069 3 0 "[ . 1 . 2]"
1 30 LEU 0.619 0.060 15 0 "[ . 1 . 2]"
1 32 LEU 0.038 0.022 17 0 "[ . 1 . 2]"
1 33 THR 0.061 0.052 10 0 "[ . 1 . 2]"
1 34 LEU 0.731 0.151 8 0 "[ . 1 . 2]"
1 35 GLU 0.017 0.009 7 0 "[ . 1 . 2]"
1 36 GLU 0.065 0.035 16 0 "[ . 1 . 2]"
1 37 ALA 0.774 0.090 16 0 "[ . 1 . 2]"
1 38 PHE 0.731 0.151 8 0 "[ . 1 . 2]"
1 39 HIS 0.017 0.009 7 0 "[ . 1 . 2]"
1 40 GLY 0.065 0.035 16 0 "[ . 1 . 2]"
1 43 ARG 0.041 0.027 12 0 "[ . 1 . 2]"
1 45 VAL 0.013 0.013 8 0 "[ . 1 . 2]"
1 52 VAL 0.013 0.013 8 0 "[ . 1 . 2]"
1 54 VAL 0.041 0.027 12 0 "[ . 1 . 2]"
1 59 GLY 0.714 0.090 16 0 "[ . 1 . 2]"
1 63 GLY 0.588 0.087 18 0 "[ . 1 . 2]"
1 64 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ILE 0.086 0.041 13 0 "[ . 1 . 2]"
1 68 VAL 0.159 0.043 11 0 "[ . 1 . 2]"
1 73 GLY 1.828 0.126 15 0 "[ . 1 . 2]"
1 79 GLY 0.678 0.100 9 0 "[ . 1 . 2]"
1 80 ASP 0.063 0.032 2 0 "[ . 1 . 2]"
1 81 LEU 0.159 0.043 11 0 "[ . 1 . 2]"
1 82 LEU 0.260 0.069 3 0 "[ . 1 . 2]"
1 83 LEU 0.086 0.041 13 0 "[ . 1 . 2]"
1 84 VAL 0.127 0.051 19 0 "[ . 1 . 2]"
1 85 VAL 0.588 0.087 18 0 "[ . 1 . 2]"
1 86 ARG 0.530 0.060 15 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 26 LEU H 1 80 ASP O 2.000 . 2.200 2.113 1.967 2.232 0.032 2 0 "[ . 1 . 2]" 2
2 1 28 ALA H 1 82 LEU O 2.000 . 2.200 2.156 2.003 2.269 0.069 3 0 "[ . 1 . 2]" 2
3 1 30 LEU H 1 84 VAL O 2.000 . 2.200 2.146 2.051 2.251 0.051 19 0 "[ . 1 . 2]" 2
4 1 32 LEU H 1 86 ARG O 2.000 . 2.200 2.108 1.970 2.222 0.022 17 0 "[ . 1 . 2]" 2
5 1 33 THR O 1 37 ALA H 2.000 . 2.200 2.133 2.037 2.252 0.052 10 0 "[ . 1 . 2]" 2
6 1 34 LEU O 1 38 PHE H 2.000 . 2.200 2.223 2.069 2.351 0.151 8 0 "[ . 1 . 2]" 2
7 1 35 GLU O 1 39 HIS H 2.000 . 2.200 2.040 1.938 2.176 . 0 0 "[ . 1 . 2]" 2
8 1 36 GLU O 1 40 GLY H 2.000 . 2.200 2.064 1.957 2.235 0.035 16 0 "[ . 1 . 2]" 2
9 1 43 ARG H 1 54 VAL O 2.000 . 2.200 1.994 1.948 2.054 . 0 0 "[ . 1 . 2]" 2
10 1 45 VAL H 1 52 VAL O 2.000 . 2.200 2.038 1.954 2.190 . 0 0 "[ . 1 . 2]" 2
11 1 45 VAL O 1 52 VAL H 2.000 . 2.200 2.056 1.933 2.200 . 0 0 "[ . 1 . 2]" 2
12 1 43 ARG O 1 54 VAL H 2.000 . 2.200 2.117 1.942 2.227 0.027 12 0 "[ . 1 . 2]" 2
13 1 37 ALA O 1 59 GLY H 2.000 . 2.200 2.214 2.103 2.290 0.090 16 0 "[ . 1 . 2]" 2
14 1 63 GLY H 1 85 VAL O 2.000 . 2.200 2.229 2.201 2.287 0.087 18 0 "[ . 1 . 2]" 2
15 1 66 ILE H 1 83 LEU O 2.000 . 2.200 1.968 1.912 2.067 . 0 0 "[ . 1 . 2]" 2
16 1 68 VAL H 1 81 LEU O 2.000 . 2.200 2.134 1.983 2.226 0.026 18 0 "[ . 1 . 2]" 2
17 1 24 ARG O 1 73 GLY H 2.000 . 2.200 2.248 2.084 2.326 0.126 15 0 "[ . 1 . 2]" 2
18 1 73 GLY O 1 79 GLY H 2.000 . 2.200 2.215 2.098 2.300 0.100 9 0 "[ . 1 . 2]" 2
19 1 68 VAL O 1 81 LEU H 2.000 . 2.200 2.095 1.983 2.243 0.043 11 0 "[ . 1 . 2]" 2
20 1 26 LEU O 1 82 LEU H 2.000 . 2.200 2.074 1.962 2.202 0.002 15 0 "[ . 1 . 2]" 2
21 1 66 ILE O 1 83 LEU H 2.000 . 2.200 2.077 1.983 2.179 . 0 0 "[ . 1 . 2]" 2
22 1 28 ALA O 1 84 VAL H 2.000 . 2.200 2.096 1.969 2.200 0.000 6 0 "[ . 1 . 2]" 2
23 1 64 SER O 1 85 VAL H 2.000 . 2.200 2.046 1.934 2.151 . 0 0 "[ . 1 . 2]" 2
24 1 30 LEU O 1 86 ARG H 2.000 . 2.200 1.997 1.929 2.058 . 0 0 "[ . 1 . 2]" 2
25 1 26 LEU N 1 80 ASP O 3.050 2.850 3.410 3.012 2.831 3.123 0.019 13 0 "[ . 1 . 2]" 2
26 1 28 ALA N 1 82 LEU O 3.050 2.850 3.410 3.031 2.901 3.181 . 0 0 "[ . 1 . 2]" 2
27 1 30 LEU N 1 84 VAL O 3.050 2.850 3.410 2.990 2.907 3.112 . 0 0 "[ . 1 . 2]" 2
28 1 32 LEU N 1 86 ARG O 3.050 2.850 3.410 3.031 2.919 3.188 . 0 0 "[ . 1 . 2]" 2
29 1 33 THR O 1 37 ALA N 3.050 2.850 3.410 3.043 2.942 3.198 . 0 0 "[ . 1 . 2]" 2
30 1 34 LEU O 1 38 PHE N 3.050 2.850 3.410 3.111 2.920 3.316 . 0 0 "[ . 1 . 2]" 2
31 1 35 GLU O 1 39 HIS N 3.050 2.850 3.410 2.942 2.841 3.080 0.009 7 0 "[ . 1 . 2]" 2
32 1 36 GLU O 1 40 GLY N 3.050 2.850 3.410 2.925 2.852 2.996 . 0 0 "[ . 1 . 2]" 2
33 1 43 ARG N 1 54 VAL O 3.050 2.850 3.410 2.947 2.844 3.030 0.006 12 0 "[ . 1 . 2]" 2
34 1 45 VAL N 1 52 VAL O 3.050 2.850 3.410 2.953 2.889 3.082 . 0 0 "[ . 1 . 2]" 2
35 1 45 VAL O 1 52 VAL N 3.050 2.850 3.410 2.994 2.837 3.152 0.013 8 0 "[ . 1 . 2]" 2
36 1 43 ARG O 1 54 VAL N 3.050 2.850 3.410 3.056 2.892 3.208 . 0 0 "[ . 1 . 2]" 2
37 1 37 ALA O 1 59 GLY N 3.050 2.850 3.410 2.998 2.923 3.136 . 0 0 "[ . 1 . 2]" 2
38 1 63 GLY N 1 85 VAL O 3.050 2.850 3.410 3.209 3.177 3.267 . 0 0 "[ . 1 . 2]" 2
39 1 66 ILE N 1 83 LEU O 3.050 2.850 3.410 2.881 2.809 3.002 0.041 13 0 "[ . 1 . 2]" 2
40 1 68 VAL N 1 81 LEU O 3.050 2.850 3.410 3.097 2.928 3.208 . 0 0 "[ . 1 . 2]" 2
41 1 24 ARG O 1 73 GLY N 3.050 2.850 3.410 2.954 2.823 3.198 0.027 4 0 "[ . 1 . 2]" 2
42 1 73 GLY O 1 79 GLY N 3.050 2.850 3.410 2.987 2.803 3.211 0.047 10 0 "[ . 1 . 2]" 2
43 1 68 VAL O 1 81 LEU N 3.050 2.850 3.410 2.973 2.871 3.054 . 0 0 "[ . 1 . 2]" 2
44 1 26 LEU O 1 82 LEU N 3.050 2.850 3.410 3.017 2.883 3.168 . 0 0 "[ . 1 . 2]" 2
45 1 66 ILE O 1 83 LEU N 3.050 2.850 3.410 3.008 2.854 3.089 . 0 0 "[ . 1 . 2]" 2
46 1 28 ALA O 1 84 VAL N 3.050 2.850 3.410 3.034 2.942 3.144 . 0 0 "[ . 1 . 2]" 2
47 1 64 SER O 1 85 VAL N 3.050 2.850 3.410 3.000 2.906 3.111 . 0 0 "[ . 1 . 2]" 2
48 1 30 LEU O 1 86 ARG N 3.050 2.850 3.410 2.828 2.790 2.888 0.060 15 0 "[ . 1 . 2]" 2
stop_
save_
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