NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
510062 |
2rrn   |
11426 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rrn
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 1187
_Distance_constraint_stats_list.Viol_count 606
_Distance_constraint_stats_list.Viol_total 118.911
_Distance_constraint_stats_list.Viol_max 0.242
_Distance_constraint_stats_list.Viol_rms 0.0038
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0098
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 TYR 0.003 0.001 12 0 "[ . 1 . 2]"
1 7 SER 0.156 0.098 4 0 "[ . 1 . 2]"
1 8 ILE 0.153 0.098 4 0 "[ . 1 . 2]"
1 9 ASP 0.820 0.242 13 0 "[ . 1 . 2]"
1 10 PHE 0.191 0.025 14 0 "[ . 1 . 2]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.001 0.001 18 0 "[ . 1 . 2]"
1 13 GLY 0.006 0.003 5 0 "[ . 1 . 2]"
1 14 THR 0.051 0.014 16 0 "[ . 1 . 2]"
1 15 ALA 0.022 0.004 8 0 "[ . 1 . 2]"
1 16 TYR 0.026 0.011 16 0 "[ . 1 . 2]"
1 17 THR 0.003 0.002 16 0 "[ . 1 . 2]"
1 18 LEU 0.365 0.016 16 0 "[ . 1 . 2]"
1 19 ARG 0.147 0.059 16 0 "[ . 1 . 2]"
1 20 ALA 0.135 0.029 16 0 "[ . 1 . 2]"
1 21 GLU 0.100 0.021 9 0 "[ . 1 . 2]"
1 22 PRO 0.143 0.045 9 0 "[ . 1 . 2]"
1 23 ASN 0.074 0.035 10 0 "[ . 1 . 2]"
1 24 VAL 0.205 0.023 16 0 "[ . 1 . 2]"
1 25 GLU 0.005 0.002 20 0 "[ . 1 . 2]"
1 26 VAL 0.264 0.038 20 0 "[ . 1 . 2]"
1 27 GLU 0.012 0.012 16 0 "[ . 1 . 2]"
1 28 THR 0.068 0.014 19 0 "[ . 1 . 2]"
1 29 LEU 0.176 0.036 16 0 "[ . 1 . 2]"
1 30 ARG 0.386 0.038 20 0 "[ . 1 . 2]"
1 31 ARG 0.194 0.023 9 0 "[ . 1 . 2]"
1 32 PHE 0.026 0.003 15 0 "[ . 1 . 2]"
1 33 LEU 0.209 0.024 10 0 "[ . 1 . 2]"
1 34 GLU 0.021 0.003 14 0 "[ . 1 . 2]"
1 35 GLU 0.001 0.001 11 0 "[ . 1 . 2]"
1 36 LYS 0.130 0.046 10 0 "[ . 1 . 2]"
1 37 GLY 0.001 0.001 11 0 "[ . 1 . 2]"
1 38 PHE 0.039 0.006 16 0 "[ . 1 . 2]"
1 39 PRO 0.017 0.004 12 0 "[ . 1 . 2]"
1 40 GLY 0.011 0.004 16 0 "[ . 1 . 2]"
1 41 LYS 0.004 0.004 16 0 "[ . 1 . 2]"
1 42 GLU 0.001 0.001 18 0 "[ . 1 . 2]"
1 43 ALA 0.001 0.001 18 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ILE 0.064 0.023 16 0 "[ . 1 . 2]"
1 46 THR 0.002 0.001 16 0 "[ . 1 . 2]"
1 47 GLN 0.075 0.032 16 0 "[ . 1 . 2]"
1 48 VAL 0.069 0.032 16 0 "[ . 1 . 2]"
1 49 GLN 0.026 0.021 9 0 "[ . 1 . 2]"
1 50 ALA 0.500 0.030 11 0 "[ . 1 . 2]"
1 51 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 THR 0.508 0.030 11 0 "[ . 1 . 2]"
1 53 ALA 0.079 0.036 16 0 "[ . 1 . 2]"
1 54 ALA 0.007 0.007 16 0 "[ . 1 . 2]"
1 55 TYR 0.289 0.059 16 0 "[ . 1 . 2]"
1 56 ARG 0.077 0.027 9 0 "[ . 1 . 2]"
1 57 GLU 0.032 0.018 9 0 "[ . 1 . 2]"
1 58 PHE 0.063 0.039 16 0 "[ . 1 . 2]"
1 59 LEU 0.016 0.010 16 0 "[ . 1 . 2]"
1 60 VAL 0.070 0.039 16 0 "[ . 1 . 2]"
1 61 LYS 0.017 0.003 19 0 "[ . 1 . 2]"
1 62 LEU 0.021 0.004 12 0 "[ . 1 . 2]"
1 63 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PRO 0.003 0.002 12 0 "[ . 1 . 2]"
1 65 LEU 0.115 0.014 16 0 "[ . 1 . 2]"
1 66 SER 0.002 0.002 2 0 "[ . 1 . 2]"
1 67 ASP 0.009 0.004 20 0 "[ . 1 . 2]"
1 68 GLU 0.002 0.002 2 0 "[ . 1 . 2]"
1 69 ARG 0.469 0.226 17 0 "[ . 1 . 2]"
1 70 ARG 0.152 0.098 17 0 "[ . 1 . 2]"
1 71 LEU 0.009 0.005 19 0 "[ . 1 . 2]"
1 72 GLU 0.056 0.024 18 0 "[ . 1 . 2]"
1 73 LEU 0.147 0.016 16 0 "[ . 1 . 2]"
1 74 GLU 0.001 0.001 13 0 "[ . 1 . 2]"
1 75 ARG 0.322 0.164 18 0 "[ . 1 . 2]"
1 76 LEU 0.494 0.164 18 0 "[ . 1 . 2]"
1 77 PHE 0.582 0.035 2 0 "[ . 1 . 2]"
1 78 ALA 0.640 0.064 2 0 "[ . 1 . 2]"
1 79 SER 0.015 0.013 3 0 "[ . 1 . 2]"
1 80 GLU 0.013 0.013 3 0 "[ . 1 . 2]"
1 81 LEU 0.164 0.026 2 0 "[ . 1 . 2]"
1 82 LYS 0.013 0.013 3 0 "[ . 1 . 2]"
1 83 ALA 1.165 0.064 2 0 "[ . 1 . 2]"
1 84 THR 0.008 0.007 19 0 "[ . 1 . 2]"
1 85 VAL 0.078 0.006 20 0 "[ . 1 . 2]"
1 86 LEU 0.005 0.002 16 0 "[ . 1 . 2]"
1 87 ALA 0.020 0.015 8 0 "[ . 1 . 2]"
1 88 SER 0.017 0.015 8 0 "[ . 1 . 2]"
1 89 GLU 0.010 0.004 8 0 "[ . 1 . 2]"
1 90 THR 0.005 0.003 8 0 "[ . 1 . 2]"
1 91 VAL 0.007 0.003 8 0 "[ . 1 . 2]"
1 92 GLY 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 17 THR HA 1 60 VAL H . . 4.370 3.299 3.039 3.610 . 0 0 "[ . 1 . 2]" 1
2 1 17 THR HA 1 59 LEU MD1 . . 5.160 3.779 3.466 4.700 . 0 0 "[ . 1 . 2]" 1
3 1 17 THR HA 1 59 LEU MD2 . . 5.420 2.390 2.183 2.615 . 0 0 "[ . 1 . 2]" 1
4 1 90 THR HA 1 90 THR MG . . 3.730 2.237 2.152 2.341 . 0 0 "[ . 1 . 2]" 1
5 1 44 VAL HA 1 44 VAL MG1 . . 3.250 2.263 2.208 2.326 . 0 0 "[ . 1 . 2]" 1
6 1 19 ARG H 1 85 VAL HA . . 4.080 3.791 3.619 3.986 . 0 0 "[ . 1 . 2]" 1
7 1 85 VAL HA 1 85 VAL MG1 . . 3.380 2.295 2.211 2.390 . 0 0 "[ . 1 . 2]" 1
8 1 18 LEU MD2 1 85 VAL HA . . 4.720 4.723 4.704 4.726 0.006 20 0 "[ . 1 . 2]" 1
9 1 34 GLU QB 1 35 GLU H . . 3.860 3.429 3.356 3.444 . 0 0 "[ . 1 . 2]" 1
10 1 31 ARG HA 1 34 GLU QB . . 4.280 4.087 3.804 4.283 0.003 14 0 "[ . 1 . 2]" 1
11 1 36 LYS HB3 1 38 PHE QD . . 4.540 2.784 2.531 3.134 . 0 0 "[ . 1 . 2]" 1
12 1 36 LYS HB3 1 76 LEU MD1 . . 4.800 3.614 3.088 4.043 . 0 0 "[ . 1 . 2]" 1
13 1 36 LYS HB2 1 38 PHE QD . . 4.540 2.980 2.564 3.251 . 0 0 "[ . 1 . 2]" 1
14 1 28 THR HA 1 28 THR MG . . 3.330 2.407 2.392 2.414 . 0 0 "[ . 1 . 2]" 1
15 1 24 VAL HA 1 28 THR MG . . 4.020 3.108 2.965 3.237 . 0 0 "[ . 1 . 2]" 1
16 1 28 THR MG 1 81 LEU MD1 . . 3.880 2.715 2.397 3.020 . 0 0 "[ . 1 . 2]" 1
17 1 11 THR HA 1 11 THR MG . . 3.470 2.604 2.051 3.207 . 0 0 "[ . 1 . 2]" 1
18 1 15 ALA MB 1 89 GLU QG . . 3.780 2.575 1.789 3.756 . 0 0 "[ . 1 . 2]" 1
19 1 15 ALA MB 1 61 LYS HB2 . . 4.260 4.221 3.750 4.263 0.003 5 0 "[ . 1 . 2]" 1
20 1 46 THR MG 1 59 LEU HB3 . . 4.330 3.738 3.419 4.053 . 0 0 "[ . 1 . 2]" 1
21 1 15 ALA MB 1 59 LEU MD2 . . 3.420 3.066 1.997 3.419 . 0 0 "[ . 1 . 2]" 1
22 1 16 TYR QD 1 85 VAL MG1 . . 3.440 3.278 3.043 3.439 . 0 0 "[ . 1 . 2]" 1
23 1 16 TYR QE 1 85 VAL MG1 . . 4.380 3.984 3.633 4.381 0.001 16 0 "[ . 1 . 2]" 1
24 1 85 VAL HA 1 85 VAL MG2 . . 3.480 2.363 2.311 2.425 . 0 0 "[ . 1 . 2]" 1
25 1 16 TYR HB3 1 85 VAL MG1 . . 4.590 4.446 4.114 4.573 . 0 0 "[ . 1 . 2]" 1
26 1 14 THR MG 1 16 TYR QD . . 4.470 2.988 2.624 3.294 . 0 0 "[ . 1 . 2]" 1
27 1 14 THR MG 1 16 TYR QE . . 4.080 2.346 2.053 2.685 . 0 0 "[ . 1 . 2]" 1
28 1 14 THR MG 1 70 ARG QD . . 4.090 3.264 2.109 4.093 0.003 19 0 "[ . 1 . 2]" 1
29 1 26 VAL MG2 1 58 PHE QD . . 4.550 3.933 3.594 4.136 . 0 0 "[ . 1 . 2]" 1
30 1 26 VAL MG2 1 58 PHE QE . . 4.830 3.580 1.876 4.240 . 0 0 "[ . 1 . 2]" 1
31 1 26 VAL HA 1 26 VAL MG2 . . 3.380 2.347 2.281 2.424 . 0 0 "[ . 1 . 2]" 1
32 1 26 VAL MG2 1 47 GLN HG3 . . 4.930 4.256 1.985 4.943 0.013 16 0 "[ . 1 . 2]" 1
33 1 26 VAL MG2 1 47 GLN HG2 . . 4.930 4.058 2.641 4.907 . 0 0 "[ . 1 . 2]" 1
34 1 26 VAL MG2 1 45 ILE HB . . 4.260 3.558 3.319 3.989 . 0 0 "[ . 1 . 2]" 1
35 1 26 VAL MG2 1 45 ILE MD . . 4.290 4.098 3.707 4.255 . 0 0 "[ . 1 . 2]" 1
36 1 38 PHE QD 1 65 LEU MD2 . . 4.930 4.125 3.033 4.523 . 0 0 "[ . 1 . 2]" 1
37 1 38 PHE QE 1 65 LEU MD2 . . 5.350 4.318 3.200 4.771 . 0 0 "[ . 1 . 2]" 1
38 1 65 LEU MD2 1 69 ARG HG3 . . 4.080 3.828 3.216 4.083 0.003 17 0 "[ . 1 . 2]" 1
39 1 24 VAL HA 1 24 VAL MG2 . . 3.380 2.377 2.279 2.434 . 0 0 "[ . 1 . 2]" 1
40 1 20 ALA MB 1 24 VAL MG2 . . 3.210 2.857 2.581 3.027 . 0 0 "[ . 1 . 2]" 1
41 1 24 VAL MG2 1 28 THR MG . . 3.480 2.848 2.594 3.097 . 0 0 "[ . 1 . 2]" 1
42 1 76 LEU HA 1 76 LEU MD2 . . 3.300 2.603 2.124 2.972 . 0 0 "[ . 1 . 2]" 1
43 1 71 LEU MD2 1 74 GLU HB3 . . 4.990 4.248 3.831 4.610 . 0 0 "[ . 1 . 2]" 1
44 1 71 LEU HA 1 71 LEU MD2 . . 3.320 2.163 2.125 2.291 . 0 0 "[ . 1 . 2]" 1
45 1 59 LEU MD1 1 60 VAL H . . 3.870 2.725 2.368 3.369 . 0 0 "[ . 1 . 2]" 1
46 1 59 LEU HA 1 59 LEU MD1 . . 3.720 2.561 2.270 3.373 . 0 0 "[ . 1 . 2]" 1
47 1 15 ALA MB 1 59 LEU MD1 . . 3.560 2.121 1.872 2.358 . 0 0 "[ . 1 . 2]" 1
48 1 32 PHE QD 1 81 LEU MD1 . . 3.980 3.842 3.369 3.983 0.003 15 0 "[ . 1 . 2]" 1
49 1 81 LEU H 1 81 LEU MD1 . . 4.370 3.601 3.398 3.772 . 0 0 "[ . 1 . 2]" 1
50 1 77 PHE QD 1 81 LEU MD1 . . 4.360 2.970 2.102 3.235 . 0 0 "[ . 1 . 2]" 1
51 1 81 LEU HA 1 81 LEU MD1 . . 3.400 2.521 2.288 3.169 . 0 0 "[ . 1 . 2]" 1
52 1 29 LEU HA 1 81 LEU MD1 . . 4.460 4.232 3.408 4.464 0.004 12 0 "[ . 1 . 2]" 1
53 1 32 PHE HB3 1 81 LEU MD1 . . 4.540 4.466 3.738 4.542 0.002 2 0 "[ . 1 . 2]" 1
54 1 32 PHE HB2 1 81 LEU MD1 . . 4.540 4.154 3.547 4.313 . 0 0 "[ . 1 . 2]" 1
55 1 24 VAL MG2 1 81 LEU MD1 . . 3.790 2.087 1.875 2.799 . 0 0 "[ . 1 . 2]" 1
56 1 29 LEU MD1 1 81 LEU MD1 . . 5.130 4.979 4.380 5.137 0.007 10 0 "[ . 1 . 2]" 1
57 1 29 LEU MD2 1 77 PHE QE . . 4.450 3.163 2.630 3.862 . 0 0 "[ . 1 . 2]" 1
58 1 29 LEU HA 1 29 LEU MD2 . . 3.480 2.533 2.392 2.646 . 0 0 "[ . 1 . 2]" 1
59 1 26 VAL MG2 1 29 LEU MD2 . . 5.500 5.421 5.228 5.536 0.036 16 0 "[ . 1 . 2]" 1
60 1 29 LEU MD2 1 45 ILE MG . . 3.950 3.006 2.463 3.203 . 0 0 "[ . 1 . 2]" 1
61 1 29 LEU MD2 1 60 VAL MG1 . . 4.440 3.298 2.928 3.769 . 0 0 "[ . 1 . 2]" 1
62 1 29 LEU MD2 1 60 VAL MG2 . . 3.450 2.264 1.925 2.641 . 0 0 "[ . 1 . 2]" 1
63 1 29 LEU MD2 1 33 LEU MD2 . . 4.430 4.130 3.855 4.346 . 0 0 "[ . 1 . 2]" 1
64 1 24 VAL MG1 1 29 LEU MD2 . . 3.560 3.292 2.713 3.561 0.001 7 0 "[ . 1 . 2]" 1
65 1 18 LEU MD2 1 29 LEU MD2 . . 3.990 2.951 2.620 3.152 . 0 0 "[ . 1 . 2]" 1
66 1 15 ALA MB 1 61 LYS HA . . 4.330 3.368 3.115 3.616 . 0 0 "[ . 1 . 2]" 1
67 1 17 THR HA 1 17 THR MG . . 3.410 2.104 2.006 2.257 . 0 0 "[ . 1 . 2]" 1
68 1 17 THR MG 1 57 GLU HG3 . . 4.370 3.085 2.011 4.370 . 0 0 "[ . 1 . 2]" 1
69 1 17 THR MG 1 57 GLU HG2 . . 4.370 2.740 2.031 3.054 . 0 0 "[ . 1 . 2]" 1
70 1 17 THR MG 1 57 GLU QB . . 4.420 3.620 3.055 4.113 . 0 0 "[ . 1 . 2]" 1
71 1 17 THR MG 1 59 LEU HB2 . . 3.800 3.398 2.610 3.700 . 0 0 "[ . 1 . 2]" 1
72 1 17 THR MG 1 86 LEU HB3 . . 4.490 3.788 3.330 4.256 . 0 0 "[ . 1 . 2]" 1
73 1 17 THR MG 1 87 ALA MB . . 3.810 3.442 3.016 3.728 . 0 0 "[ . 1 . 2]" 1
74 1 17 THR MG 1 59 LEU MD2 . . 3.850 1.930 1.842 2.918 . 0 0 "[ . 1 . 2]" 1
75 1 17 THR MG 1 86 LEU MD1 . . 3.360 3.007 2.586 3.362 0.002 16 0 "[ . 1 . 2]" 1
76 1 84 THR MG 1 85 VAL H . . 3.580 2.941 2.812 3.051 . 0 0 "[ . 1 . 2]" 1
77 1 84 THR H 1 84 THR MG . . 4.540 3.940 3.897 4.000 . 0 0 "[ . 1 . 2]" 1
78 1 84 THR HA 1 84 THR MG . . 3.440 2.310 2.113 2.389 . 0 0 "[ . 1 . 2]" 1
79 1 84 THR MG 1 86 LEU HA . . 4.410 3.942 3.656 4.328 . 0 0 "[ . 1 . 2]" 1
80 1 19 ARG QB 1 84 THR MG . . 4.120 3.821 3.610 4.079 . 0 0 "[ . 1 . 2]" 1
81 1 77 PHE HA 1 83 ALA MB . . 4.480 4.494 4.485 4.515 0.035 2 0 "[ . 1 . 2]" 1
82 1 26 VAL HA 1 26 VAL MG1 . . 3.470 2.322 2.239 2.402 . 0 0 "[ . 1 . 2]" 1
83 1 26 VAL MG1 1 45 ILE HB . . 3.380 2.125 1.927 2.852 . 0 0 "[ . 1 . 2]" 1
84 1 78 ALA MB 1 83 ALA MB . . 3.910 3.174 2.884 3.355 . 0 0 "[ . 1 . 2]" 1
85 1 19 ARG QB 1 83 ALA MB . . 4.680 4.370 4.253 4.506 . 0 0 "[ . 1 . 2]" 1
86 1 20 ALA MB 1 83 ALA MB . . 3.450 2.322 2.012 2.697 . 0 0 "[ . 1 . 2]" 1
87 1 26 VAL MG1 1 45 ILE MD . . 3.350 2.426 2.050 2.746 . 0 0 "[ . 1 . 2]" 1
88 1 91 VAL HA 1 91 VAL MG1 . . 3.540 2.290 2.211 2.382 . 0 0 "[ . 1 . 2]" 1
89 1 16 TYR QD 1 60 VAL MG1 . . 4.520 4.360 4.081 4.523 0.003 16 0 "[ . 1 . 2]" 1
90 1 60 VAL MG1 1 61 LYS HA . . 4.540 4.031 3.892 4.199 . 0 0 "[ . 1 . 2]" 1
91 1 16 TYR HB2 1 60 VAL MG1 . . 4.450 3.755 3.571 4.058 . 0 0 "[ . 1 . 2]" 1
92 1 60 VAL MG1 1 62 LEU HB2 . . 4.790 4.274 4.190 4.582 . 0 0 "[ . 1 . 2]" 1
93 1 60 VAL MG1 1 62 LEU HB3 . . 5.150 4.315 4.268 4.457 . 0 0 "[ . 1 . 2]" 1
94 1 60 VAL MG1 1 62 LEU HG . . 3.720 2.276 2.161 2.623 . 0 0 "[ . 1 . 2]" 1
95 1 44 VAL MG1 1 61 LYS QD . . 4.570 3.399 2.984 4.543 . 0 0 "[ . 1 . 2]" 1
96 1 50 ALA MB 1 52 THR MG . . 3.450 2.198 2.144 2.235 . 0 0 "[ . 1 . 2]" 1
97 1 33 LEU MD2 1 60 VAL MG1 . . 3.490 3.063 2.707 3.252 . 0 0 "[ . 1 . 2]" 1
98 1 18 LEU MD2 1 60 VAL MG1 . . 5.100 4.117 3.875 4.383 . 0 0 "[ . 1 . 2]" 1
99 1 60 VAL MG1 1 73 LEU MD2 . . 5.260 3.619 3.369 3.868 . 0 0 "[ . 1 . 2]" 1
100 1 29 LEU MD1 1 60 VAL MG1 . . 4.570 4.378 4.004 4.584 0.014 16 0 "[ . 1 . 2]" 1
101 1 13 GLY H 1 91 VAL MG2 . . 4.380 2.762 2.049 3.640 . 0 0 "[ . 1 . 2]" 1
102 1 48 VAL HA 1 48 VAL MG1 . . 3.460 2.340 2.288 2.396 . 0 0 "[ . 1 . 2]" 1
103 1 90 THR MG 1 91 VAL MG2 . . 3.970 3.952 3.880 3.971 0.001 9 0 "[ . 1 . 2]" 1
104 1 59 LEU HA 1 60 VAL MG2 . . 4.900 3.704 3.533 3.800 . 0 0 "[ . 1 . 2]" 1
105 1 58 PHE HB3 1 60 VAL MG2 . . 3.800 3.201 2.920 3.468 . 0 0 "[ . 1 . 2]" 1
106 1 58 PHE HB2 1 60 VAL MG2 . . 4.160 3.872 3.640 4.199 0.039 16 0 "[ . 1 . 2]" 1
107 1 60 VAL MG2 1 62 LEU HG . . 4.850 4.620 4.577 4.758 . 0 0 "[ . 1 . 2]" 1
108 1 18 LEU HB3 1 60 VAL MG2 . . 4.610 4.385 4.162 4.596 . 0 0 "[ . 1 . 2]" 1
109 1 33 LEU MD2 1 60 VAL MG2 . . 4.320 4.143 3.848 4.310 . 0 0 "[ . 1 . 2]" 1
110 1 24 VAL MG1 1 28 THR HB . . 3.690 2.109 1.954 2.343 . 0 0 "[ . 1 . 2]" 1
111 1 24 VAL HA 1 24 VAL MG1 . . 3.580 2.359 2.302 2.400 . 0 0 "[ . 1 . 2]" 1
112 1 20 ALA MB 1 24 VAL MG1 . . 3.550 3.161 2.852 3.552 0.002 16 0 "[ . 1 . 2]" 1
113 1 24 VAL MG1 1 28 THR MG . . 3.590 2.198 1.944 2.576 . 0 0 "[ . 1 . 2]" 1
114 1 24 VAL MG1 1 29 LEU HG . . 3.560 2.544 2.234 2.768 . 0 0 "[ . 1 . 2]" 1
115 1 24 VAL MG1 1 81 LEU MD2 . . 3.560 2.098 1.928 2.280 . 0 0 "[ . 1 . 2]" 1
116 1 24 VAL MG1 1 29 LEU MD1 . . 3.830 2.931 2.466 3.251 . 0 0 "[ . 1 . 2]" 1
117 1 73 LEU MD1 1 77 PHE QE . . 4.570 2.238 2.091 2.359 . 0 0 "[ . 1 . 2]" 1
118 1 73 LEU HA 1 73 LEU MD1 . . 3.310 2.064 1.958 2.160 . 0 0 "[ . 1 . 2]" 1
119 1 33 LEU MD2 1 73 LEU MD1 . . 3.300 2.106 1.866 2.506 . 0 0 "[ . 1 . 2]" 1
120 1 18 LEU MD1 1 73 LEU MD1 . . 5.500 5.494 5.367 5.516 0.016 16 0 "[ . 1 . 2]" 1
121 1 19 ARG HA 1 57 GLU HA . . 3.700 2.197 1.986 2.539 . 0 0 "[ . 1 . 2]" 1
122 1 19 ARG HA 1 19 ARG QG . . 3.910 2.305 2.080 2.563 . 0 0 "[ . 1 . 2]" 1
123 1 21 GLU HA 1 55 TYR HA . . 4.380 2.798 2.426 3.119 . 0 0 "[ . 1 . 2]" 1
124 1 22 PRO QD 1 55 TYR HA . . 3.950 2.362 2.008 2.714 . 0 0 "[ . 1 . 2]" 1
125 1 22 PRO QB 1 55 TYR HA . . 4.390 4.147 3.880 4.435 0.045 9 0 "[ . 1 . 2]" 1
126 1 54 ALA MB 1 55 TYR HA . . 4.680 4.206 4.129 4.275 . 0 0 "[ . 1 . 2]" 1
127 1 47 GLN HA 1 58 PHE QD . . 4.410 3.009 2.502 3.576 . 0 0 "[ . 1 . 2]" 1
128 1 47 GLN HA 1 58 PHE HA . . 3.890 2.896 2.440 3.199 . 0 0 "[ . 1 . 2]" 1
129 1 21 GLU HA 1 22 PRO QD . . 3.240 2.146 2.087 2.157 . 0 0 "[ . 1 . 2]" 1
130 1 86 LEU HA 1 86 LEU HG . . 4.080 2.928 2.772 3.227 . 0 0 "[ . 1 . 2]" 1
131 1 31 ARG HA 1 31 ARG QD . . 4.570 4.199 3.920 4.561 . 0 0 "[ . 1 . 2]" 1
132 1 31 ARG QB 1 31 ARG QD . . 3.460 2.217 2.076 2.352 . 0 0 "[ . 1 . 2]" 1
133 1 69 ARG HA 1 69 ARG HD2 . . 4.180 3.174 2.061 4.054 . 0 0 "[ . 1 . 2]" 1
134 1 36 LYS HE3 1 76 LEU MD2 . . 4.370 3.160 1.983 4.380 0.010 10 0 "[ . 1 . 2]" 1
135 1 36 LYS HE2 1 76 LEU MD2 . . 4.370 3.159 1.954 4.371 0.001 17 0 "[ . 1 . 2]" 1
136 1 19 ARG QB 1 86 LEU MD1 . . 4.020 2.313 1.936 3.335 . 0 0 "[ . 1 . 2]" 1
137 1 65 LEU MD1 1 69 ARG HB3 . . 4.640 2.838 2.499 3.225 . 0 0 "[ . 1 . 2]" 1
138 1 63 PRO HB2 1 64 PRO HD3 . . 4.960 3.682 3.667 3.685 . 0 0 "[ . 1 . 2]" 1
139 1 63 PRO HB2 1 64 PRO HD2 . . 4.960 2.276 2.258 2.281 . 0 0 "[ . 1 . 2]" 1
140 1 30 ARG H 1 30 ARG HB2 . . 3.980 3.591 3.587 3.596 . 0 0 "[ . 1 . 2]" 1
141 1 30 ARG HB2 1 31 ARG H . . 4.310 3.684 3.550 3.903 . 0 0 "[ . 1 . 2]" 1
142 1 27 GLU HA 1 30 ARG HB2 . . 5.090 4.809 4.735 4.865 . 0 0 "[ . 1 . 2]" 1
143 1 30 ARG HB2 1 31 ARG HA . . 5.430 4.467 4.369 4.649 . 0 0 "[ . 1 . 2]" 1
144 1 30 ARG HB2 1 45 ILE MD . . 4.600 3.244 3.011 3.479 . 0 0 "[ . 1 . 2]" 1
145 1 39 PRO HG3 1 65 LEU MD2 . . 5.250 2.612 2.295 2.883 . 0 0 "[ . 1 . 2]" 1
146 1 39 PRO HB2 1 62 LEU MD2 . . 4.520 4.036 3.758 4.233 . 0 0 "[ . 1 . 2]" 1
147 1 39 PRO HG2 1 62 LEU HB3 . . 3.020 3.013 2.956 3.024 0.004 12 0 "[ . 1 . 2]" 1
148 1 39 PRO HG2 1 62 LEU MD1 . . 5.030 3.815 3.617 3.977 . 0 0 "[ . 1 . 2]" 1
149 1 71 LEU H 1 71 LEU HG . . 3.800 3.495 3.375 3.590 . 0 0 "[ . 1 . 2]" 1
150 1 71 LEU HA 1 71 LEU HG . . 4.220 2.625 2.535 2.661 . 0 0 "[ . 1 . 2]" 1
151 1 30 ARG HA 1 30 ARG HG2 . . 4.210 3.720 3.678 3.794 . 0 0 "[ . 1 . 2]" 1
152 1 75 ARG HA 1 75 ARG HG2 . . 4.240 2.603 2.207 3.665 . 0 0 "[ . 1 . 2]" 1
153 1 59 LEU H 1 59 LEU HG . . 4.880 4.760 4.712 4.827 . 0 0 "[ . 1 . 2]" 1
154 1 22 PRO HA 1 56 ARG HG2 . . 4.850 3.986 2.120 4.852 0.002 19 0 "[ . 1 . 2]" 1
155 1 19 ARG QG 1 20 ALA H . . 4.560 2.653 2.027 3.578 . 0 0 "[ . 1 . 2]" 1
156 1 19 ARG QG 1 55 TYR QD . . 4.590 3.053 2.108 4.588 . 0 0 "[ . 1 . 2]" 1
157 1 19 ARG QG 1 57 GLU QB . . 4.100 3.476 2.386 4.102 0.002 19 0 "[ . 1 . 2]" 1
158 1 36 LYS QD 1 76 LEU MD2 . . 3.980 3.207 1.947 3.844 . 0 0 "[ . 1 . 2]" 1
159 1 16 TYR QD 1 62 LEU MD1 . . 4.150 2.738 2.400 3.004 . 0 0 "[ . 1 . 2]" 1
160 1 16 TYR QE 1 62 LEU MD1 . . 3.980 3.874 3.482 3.980 0.000 14 0 "[ . 1 . 2]" 1
161 1 62 LEU HB2 1 62 LEU MD1 . . 3.520 2.251 2.150 2.336 . 0 0 "[ . 1 . 2]" 1
162 1 43 ALA MB 1 62 LEU MD1 . . 4.070 3.886 3.851 3.913 . 0 0 "[ . 1 . 2]" 1
163 1 62 LEU MD1 1 73 LEU MD2 . . 3.570 1.901 1.824 2.171 . 0 0 "[ . 1 . 2]" 1
164 1 90 THR HB 1 91 VAL HA . . 5.100 4.809 4.568 5.103 0.003 8 0 "[ . 1 . 2]" 1
165 1 66 SER HB3 1 67 ASP H . . 4.340 3.475 2.676 4.155 . 0 0 "[ . 1 . 2]" 1
166 1 7 SER QB 1 8 ILE HA . . 4.590 4.352 4.164 4.581 . 0 0 "[ . 1 . 2]" 1
167 1 77 PHE HB3 1 83 ALA MB . . 4.140 2.886 2.791 3.161 . 0 0 "[ . 1 . 2]" 1
168 1 77 PHE HB2 1 83 ALA MB . . 4.140 4.154 4.141 4.168 0.028 3 0 "[ . 1 . 2]" 1
169 1 34 GLU H 1 34 GLU HG2 . . 4.100 2.313 2.032 3.230 . 0 0 "[ . 1 . 2]" 1
170 1 58 PHE HA 1 58 PHE QD . . 4.410 2.851 2.463 3.128 . 0 0 "[ . 1 . 2]" 1
171 1 38 PHE HA 1 38 PHE QD . . 4.320 3.046 3.044 3.050 . 0 0 "[ . 1 . 2]" 1
172 1 38 PHE HA 1 39 PRO HD3 . . 3.590 2.344 2.343 2.345 . 0 0 "[ . 1 . 2]" 1
173 1 42 GLU HA 1 42 GLU HG3 . . 4.090 3.684 3.470 3.897 . 0 0 "[ . 1 . 2]" 1
174 1 82 LYS HA 1 82 LYS QD . . 4.070 2.629 1.975 3.919 . 0 0 "[ . 1 . 2]" 1
175 1 19 ARG QG 1 55 TYR QB . . 4.200 2.490 1.971 3.730 . 0 0 "[ . 1 . 2]" 1
176 1 33 LEU HB3 1 38 PHE QB . . 4.290 3.292 3.000 3.456 . 0 0 "[ . 1 . 2]" 1
177 1 67 ASP QB 1 71 LEU MD1 . . 4.310 3.898 3.701 4.297 . 0 0 "[ . 1 . 2]" 1
178 1 76 LEU MD2 1 80 GLU HG3 . . 4.560 3.398 2.348 4.504 . 0 0 "[ . 1 . 2]" 1
179 1 27 GLU HA 1 27 GLU QG . . 3.770 2.733 2.163 3.400 . 0 0 "[ . 1 . 2]" 1
180 1 76 LEU MD2 1 80 GLU HG2 . . 4.560 3.573 2.627 4.357 . 0 0 "[ . 1 . 2]" 1
181 1 42 GLU HA 1 42 GLU HG2 . . 4.090 3.430 2.521 4.042 . 0 0 "[ . 1 . 2]" 1
182 1 48 VAL MG2 1 57 GLU QB . . 3.940 3.428 3.108 3.610 . 0 0 "[ . 1 . 2]" 1
183 1 44 VAL MG1 1 61 LYS HB2 . . 4.430 3.634 3.521 3.912 . 0 0 "[ . 1 . 2]" 1
184 1 44 VAL HB 1 61 LYS HB3 . . 4.040 2.004 1.998 2.030 . 0 0 "[ . 1 . 2]" 1
185 1 44 VAL MG1 1 61 LYS HB3 . . 4.570 3.674 3.524 3.716 . 0 0 "[ . 1 . 2]" 1
186 1 61 LYS HB3 1 62 LEU MD2 . . 5.220 4.175 4.098 4.289 . 0 0 "[ . 1 . 2]" 1
187 1 74 GLU HB2 1 85 VAL MG2 . . 5.160 3.961 3.478 4.221 . 0 0 "[ . 1 . 2]" 1
188 1 68 GLU HB3 1 69 ARG H . . 4.510 3.715 3.393 4.033 . 0 0 "[ . 1 . 2]" 1
189 1 21 GLU HB3 1 22 PRO QD . . 4.230 2.148 1.952 2.938 . 0 0 "[ . 1 . 2]" 1
190 1 45 ILE HA 1 45 ILE MG . . 3.570 2.336 2.249 2.393 . 0 0 "[ . 1 . 2]" 1
191 1 45 ILE HA 1 60 VAL MG2 . . 4.290 3.814 3.623 3.914 . 0 0 "[ . 1 . 2]" 1
192 1 45 ILE HA 1 60 VAL HA . . 4.090 2.549 2.396 2.737 . 0 0 "[ . 1 . 2]" 1
193 1 60 VAL HA 1 60 VAL MG1 . . 3.630 2.304 2.233 2.353 . 0 0 "[ . 1 . 2]" 1
194 1 60 VAL HA 1 60 VAL MG2 . . 3.690 2.419 2.385 2.488 . 0 0 "[ . 1 . 2]" 1
195 1 46 THR HA 1 46 THR MG . . 3.620 2.123 1.963 2.256 . 0 0 "[ . 1 . 2]" 1
196 1 32 PHE HA 1 35 GLU H . . 4.600 3.489 3.429 3.551 . 0 0 "[ . 1 . 2]" 1
197 1 32 PHE HA 1 32 PHE QD . . 3.860 2.920 2.250 3.091 . 0 0 "[ . 1 . 2]" 1
198 1 32 PHE HA 1 35 GLU HB3 . . 4.550 2.843 2.272 3.924 . 0 0 "[ . 1 . 2]" 1
199 1 32 PHE HA 1 35 GLU HB2 . . 4.550 2.993 2.140 3.536 . 0 0 "[ . 1 . 2]" 1
200 1 74 GLU HA 1 77 PHE QD . . 3.880 2.803 2.664 3.217 . 0 0 "[ . 1 . 2]" 1
201 1 74 GLU HA 1 74 GLU HG3 . . 4.170 3.089 2.183 3.755 . 0 0 "[ . 1 . 2]" 1
202 1 74 GLU HA 1 74 GLU HG2 . . 4.170 2.705 2.164 3.404 . 0 0 "[ . 1 . 2]" 1
203 1 74 GLU HA 1 85 VAL MG2 . . 4.090 3.896 3.595 4.091 0.001 13 0 "[ . 1 . 2]" 1
204 1 30 ARG HA 1 33 LEU H . . 4.160 3.470 3.406 3.557 . 0 0 "[ . 1 . 2]" 1
205 1 30 ARG HA 1 33 LEU HB2 . . 4.440 2.570 2.348 2.833 . 0 0 "[ . 1 . 2]" 1
206 1 30 ARG HA 1 30 ARG HG3 . . 4.000 3.787 3.705 3.838 . 0 0 "[ . 1 . 2]" 1
207 1 16 TYR HB2 1 60 VAL HB . . 4.040 2.692 2.361 2.921 . 0 0 "[ . 1 . 2]" 1
208 1 46 THR HB 1 59 LEU HB3 . . 4.260 2.220 1.999 3.055 . 0 0 "[ . 1 . 2]" 1
209 1 46 THR HB 1 59 LEU HB2 . . 4.560 3.217 2.688 3.638 . 0 0 "[ . 1 . 2]" 1
210 1 46 THR HB 1 59 LEU HG . . 5.100 4.067 3.744 4.758 . 0 0 "[ . 1 . 2]" 1
211 1 46 THR HB 1 59 LEU MD1 . . 5.500 3.923 3.080 4.881 . 0 0 "[ . 1 . 2]" 1
212 1 46 THR HB 1 59 LEU MD2 . . 5.500 4.808 4.531 5.240 . 0 0 "[ . 1 . 2]" 1
213 1 14 THR HB 1 65 LEU HG . . 5.470 5.457 5.294 5.484 0.014 16 0 "[ . 1 . 2]" 1
214 1 14 THR HB 1 62 LEU HB2 . . 4.280 3.540 3.385 3.714 . 0 0 "[ . 1 . 2]" 1
215 1 14 THR HB 1 65 LEU MD1 . . 5.080 4.987 4.079 5.085 0.005 16 0 "[ . 1 . 2]" 1
216 1 24 VAL HA 1 28 THR HB . . 4.510 3.242 3.126 3.390 . 0 0 "[ . 1 . 2]" 1
217 1 28 THR HB 1 29 LEU HG . . 4.600 3.842 3.579 4.089 . 0 0 "[ . 1 . 2]" 1
218 1 26 VAL HA 1 29 LEU HB3 . . 4.390 4.082 3.863 4.304 . 0 0 "[ . 1 . 2]" 1
219 1 26 VAL HA 1 29 LEU HG . . 4.450 4.173 3.974 4.323 . 0 0 "[ . 1 . 2]" 1
220 1 63 PRO HA 1 64 PRO HD3 . . 3.720 2.324 2.323 2.328 . 0 0 "[ . 1 . 2]" 1
221 1 63 PRO HA 1 64 PRO HD2 . . 3.720 2.446 2.443 2.454 . 0 0 "[ . 1 . 2]" 1
222 1 65 LEU HB3 1 69 ARG HB2 . . 4.730 2.804 2.666 2.965 . 0 0 "[ . 1 . 2]" 1
223 1 65 LEU HB2 1 69 ARG HB2 . . 4.730 2.750 2.360 3.226 . 0 0 "[ . 1 . 2]" 1
224 1 18 LEU HB3 1 19 ARG H . . 4.570 4.162 4.034 4.197 . 0 0 "[ . 1 . 2]" 1
225 1 18 LEU HB3 1 83 ALA MB . . 4.900 4.047 3.948 4.146 . 0 0 "[ . 1 . 2]" 1
226 1 18 LEU HB3 1 85 VAL MG1 . . 5.170 3.834 3.680 3.956 . 0 0 "[ . 1 . 2]" 1
227 1 18 LEU HB2 1 85 VAL MG1 . . 4.510 4.307 4.172 4.431 . 0 0 "[ . 1 . 2]" 1
228 1 18 LEU HB2 1 83 ALA MB . . 4.750 2.717 2.576 2.824 . 0 0 "[ . 1 . 2]" 1
229 1 18 LEU HB2 1 85 VAL MG2 . . 5.390 3.232 3.043 3.401 . 0 0 "[ . 1 . 2]" 1
230 1 33 LEU HB2 1 34 GLU H . . 4.300 2.550 2.444 2.666 . 0 0 "[ . 1 . 2]" 1
231 1 33 LEU HB2 1 38 PHE QB . . 4.870 4.689 4.415 4.840 . 0 0 "[ . 1 . 2]" 1
232 1 29 LEU HB3 1 30 ARG H . . 4.220 3.196 3.071 3.283 . 0 0 "[ . 1 . 2]" 1
233 1 29 LEU HB3 1 45 ILE MD . . 4.270 1.934 1.886 2.026 . 0 0 "[ . 1 . 2]" 1
234 1 26 VAL MG2 1 29 LEU HB2 . . 4.450 4.345 4.214 4.451 0.001 3 0 "[ . 1 . 2]" 1
235 1 74 GLU H 1 74 GLU HB3 . . 4.200 3.559 3.501 3.590 . 0 0 "[ . 1 . 2]" 1
236 1 69 ARG HA 1 72 GLU HB3 . . 4.200 2.815 2.405 3.967 . 0 0 "[ . 1 . 2]" 1
237 1 44 VAL HB 1 61 LYS QD . . 4.470 2.478 2.015 3.965 . 0 0 "[ . 1 . 2]" 1
238 1 62 LEU MD2 1 63 PRO HD2 . . 4.040 3.223 3.188 3.259 . 0 0 "[ . 1 . 2]" 1
239 1 33 LEU HG 1 62 LEU MD2 . . 4.870 4.506 4.329 4.677 . 0 0 "[ . 1 . 2]" 1
240 1 39 PRO HG2 1 62 LEU MD2 . . 4.070 3.348 3.165 3.537 . 0 0 "[ . 1 . 2]" 1
241 1 60 VAL MG2 1 62 LEU MD2 . . 4.120 4.041 3.979 4.074 . 0 0 "[ . 1 . 2]" 1
242 1 18 LEU HA 1 86 LEU MD1 . . 4.910 3.769 3.217 4.141 . 0 0 "[ . 1 . 2]" 1
243 1 19 ARG HA 1 86 LEU MD1 . . 5.190 3.470 2.815 3.953 . 0 0 "[ . 1 . 2]" 1
244 1 86 LEU HA 1 86 LEU MD1 . . 4.450 3.840 3.798 3.946 . 0 0 "[ . 1 . 2]" 1
245 1 62 LEU MD1 1 73 LEU HG . . 4.450 3.660 3.543 3.967 . 0 0 "[ . 1 . 2]" 1
246 1 33 LEU MD2 1 73 LEU HG . . 4.400 3.506 3.301 3.865 . 0 0 "[ . 1 . 2]" 1
247 1 18 LEU MD2 1 19 ARG H . . 4.380 4.362 4.145 4.389 0.009 5 0 "[ . 1 . 2]" 1
248 1 16 TYR QD 1 73 LEU MD2 . . 4.600 4.312 3.881 4.598 . 0 0 "[ . 1 . 2]" 1
249 1 73 LEU MD2 1 77 PHE QD . . 3.900 3.792 3.600 3.863 . 0 0 "[ . 1 . 2]" 1
250 1 73 LEU MD2 1 77 PHE QE . . 4.300 2.504 2.138 2.795 . 0 0 "[ . 1 . 2]" 1
251 1 18 LEU HA 1 18 LEU MD2 . . 3.660 3.537 3.497 3.559 . 0 0 "[ . 1 . 2]" 1
252 1 73 LEU HA 1 73 LEU MD2 . . 4.610 3.823 3.810 3.858 . 0 0 "[ . 1 . 2]" 1
253 1 18 LEU MD2 1 58 PHE HB3 . . 3.890 2.795 2.390 3.224 . 0 0 "[ . 1 . 2]" 1
254 1 18 LEU MD2 1 83 ALA MB . . 3.840 3.795 3.719 3.845 0.005 12 0 "[ . 1 . 2]" 1
255 1 18 LEU MD2 1 60 VAL MG2 . . 3.670 1.996 1.822 2.234 . 0 0 "[ . 1 . 2]" 1
256 1 33 LEU MD2 1 73 LEU MD2 . . 3.660 2.240 1.956 2.559 . 0 0 "[ . 1 . 2]" 1
257 1 18 LEU MD2 1 81 LEU MD2 . . 4.150 4.115 3.959 4.160 0.010 8 0 "[ . 1 . 2]" 1
258 1 16 TYR HB3 1 18 LEU MD1 . . 4.630 4.491 4.321 4.641 0.011 16 0 "[ . 1 . 2]" 1
259 1 18 LEU MD1 1 83 ALA MB . . 3.520 2.116 2.009 2.179 . 0 0 "[ . 1 . 2]" 1
260 1 18 LEU MD1 1 60 VAL MG2 . . 3.510 3.176 2.928 3.367 . 0 0 "[ . 1 . 2]" 1
261 1 18 LEU MD1 1 33 LEU MD2 . . 5.500 5.486 5.333 5.512 0.012 9 0 "[ . 1 . 2]" 1
262 1 18 LEU MD1 1 81 LEU MD2 . . 3.880 2.940 2.796 3.068 . 0 0 "[ . 1 . 2]" 1
263 1 18 LEU MD1 1 29 LEU MD2 . . 3.710 3.462 3.216 3.712 0.002 10 0 "[ . 1 . 2]" 1
264 1 22 PRO HA 1 56 ARG HG3 . . 4.850 3.366 2.187 4.856 0.006 11 0 "[ . 1 . 2]" 1
265 1 28 THR HA 1 31 ARG QB . . 3.990 2.799 2.332 3.444 . 0 0 "[ . 1 . 2]" 1
266 1 16 TYR QD 1 88 SER HB3 . . 4.370 2.248 2.003 3.606 . 0 0 "[ . 1 . 2]" 1
267 1 16 TYR QD 1 88 SER HB2 . . 4.370 2.775 2.122 4.225 . 0 0 "[ . 1 . 2]" 1
268 1 76 LEU H 1 76 LEU HG . . 4.280 3.678 2.846 4.280 . 3 0 "[ . 1 . 2]" 1
269 1 24 VAL MG2 1 81 LEU HG . . 4.400 2.185 1.956 2.550 . 0 0 "[ . 1 . 2]" 1
270 1 18 LEU HG 1 83 ALA MB . . 4.780 2.603 2.482 2.697 . 0 0 "[ . 1 . 2]" 1
271 1 65 LEU MD1 1 70 ARG HE . . 5.080 4.800 4.144 5.085 0.005 16 0 "[ . 1 . 2]" 1
272 1 38 PHE QD 1 65 LEU MD1 . . 4.840 2.726 2.426 3.016 . 0 0 "[ . 1 . 2]" 1
273 1 38 PHE QE 1 65 LEU MD1 . . 5.070 2.593 2.095 3.014 . 0 0 "[ . 1 . 2]" 1
274 1 65 LEU MD1 1 73 LEU MD2 . . 4.020 3.275 3.091 3.505 . 0 0 "[ . 1 . 2]" 1
275 1 39 PRO HG3 1 62 LEU MD1 . . 5.440 5.067 4.885 5.213 . 0 0 "[ . 1 . 2]" 1
276 1 76 LEU H 1 76 LEU MD1 . . 4.300 3.892 3.377 4.191 . 0 0 "[ . 1 . 2]" 1
277 1 76 LEU HA 1 76 LEU MD1 . . 4.310 3.757 3.685 3.819 . 0 0 "[ . 1 . 2]" 1
278 1 33 LEU MD1 1 40 GLY HA3 . . 4.330 2.687 2.334 2.933 . 0 0 "[ . 1 . 2]" 1
279 1 33 LEU MD1 1 40 GLY HA2 . . 4.070 2.228 1.981 2.602 . 0 0 "[ . 1 . 2]" 1
280 1 30 ARG HA 1 33 LEU MD1 . . 3.900 2.634 2.221 3.042 . 0 0 "[ . 1 . 2]" 1
281 1 73 LEU HA 1 76 LEU MD1 . . 3.890 3.316 2.727 3.769 . 0 0 "[ . 1 . 2]" 1
282 1 29 LEU HB3 1 33 LEU MD1 . . 4.630 3.039 2.841 3.132 . 0 0 "[ . 1 . 2]" 1
283 1 36 LYS HB2 1 76 LEU MD1 . . 4.800 4.508 3.919 4.806 0.006 11 0 "[ . 1 . 2]" 1
284 1 36 LYS QD 1 76 LEU MD1 . . 3.540 2.678 1.841 3.549 0.009 19 0 "[ . 1 . 2]" 1
285 1 29 LEU HB2 1 33 LEU MD1 . . 4.500 4.406 4.178 4.504 0.004 16 0 "[ . 1 . 2]" 1
286 1 33 LEU HB3 1 33 LEU MD1 . . 3.630 2.438 2.382 2.562 . 0 0 "[ . 1 . 2]" 1
287 1 33 LEU MD1 1 73 LEU MD1 . . 4.890 4.412 4.124 4.782 . 0 0 "[ . 1 . 2]" 1
288 1 73 LEU MD1 1 76 LEU MD1 . . 5.040 3.474 3.105 3.749 . 0 0 "[ . 1 . 2]" 1
289 1 48 VAL MG2 1 59 LEU H . . 4.190 2.902 2.482 3.321 . 0 0 "[ . 1 . 2]" 1
290 1 48 VAL MG2 1 58 PHE HA . . 4.320 3.349 3.024 3.694 . 0 0 "[ . 1 . 2]" 1
291 1 48 VAL HA 1 48 VAL MG2 . . 3.600 2.322 2.261 2.397 . 0 0 "[ . 1 . 2]" 1
292 1 48 VAL MG2 1 59 LEU HB2 . . 3.890 2.469 1.975 3.574 . 0 0 "[ . 1 . 2]" 1
293 1 46 THR MG 1 48 VAL MG2 . . 4.480 3.419 2.878 4.264 . 0 0 "[ . 1 . 2]" 1
294 1 17 THR MG 1 48 VAL MG2 . . 4.190 3.620 3.243 4.087 . 0 0 "[ . 1 . 2]" 1
295 1 19 ARG QB 1 84 THR HB . . 3.710 2.618 2.397 2.800 . 0 0 "[ . 1 . 2]" 1
296 1 19 ARG QG 1 84 THR HB . . 4.860 4.663 4.199 4.867 0.007 19 0 "[ . 1 . 2]" 1
297 1 75 ARG HA 1 76 LEU HA . . 5.070 4.833 4.815 4.843 . 0 0 "[ . 1 . 2]" 1
298 1 75 ARG HA 1 75 ARG HG3 . . 4.240 3.294 2.699 3.845 . 0 0 "[ . 1 . 2]" 1
299 1 75 ARG HA 1 78 ALA MB . . 3.610 2.979 2.573 3.162 . 0 0 "[ . 1 . 2]" 1
300 1 40 GLY HA2 1 41 LYS HA . . 5.100 4.788 4.725 4.829 . 0 0 "[ . 1 . 2]" 1
301 1 27 GLU HA 1 30 ARG QD . . 3.730 2.203 1.970 2.642 . 0 0 "[ . 1 . 2]" 1
302 1 68 GLU HA 1 68 GLU QG . . 3.620 2.813 2.351 3.333 . 0 0 "[ . 1 . 2]" 1
303 1 27 GLU HA 1 30 ARG HG3 . . 4.490 3.112 3.021 3.241 . 0 0 "[ . 1 . 2]" 1
304 1 3 GLY QA 1 4 PHE HA . . 4.860 3.978 3.934 4.154 . 0 0 "[ . 1 . 2]" 1
305 1 59 LEU HA 1 59 LEU MD2 . . 4.240 2.088 1.937 2.274 . 0 0 "[ . 1 . 2]" 1
306 1 25 GLU HA 1 25 GLU HG3 . . 4.190 2.699 2.453 2.972 . 0 0 "[ . 1 . 2]" 1
307 1 78 ALA HA 1 82 LYS HA . . 4.480 3.373 3.195 4.139 . 0 0 "[ . 1 . 2]" 1
308 1 36 LYS HA 1 36 LYS QD . . 3.500 2.165 1.969 3.236 . 0 0 "[ . 1 . 2]" 1
309 1 33 LEU HB2 1 40 GLY HA3 . . 4.420 2.385 2.000 2.666 . 0 0 "[ . 1 . 2]" 1
310 1 34 GLU QB 1 40 GLY HA3 . . 5.070 3.545 3.395 3.720 . 0 0 "[ . 1 . 2]" 1
311 1 33 LEU HB2 1 40 GLY HA2 . . 4.250 3.403 2.977 3.647 . 0 0 "[ . 1 . 2]" 1
312 1 32 PHE QD 1 33 LEU MD2 . . 4.130 3.759 3.171 4.133 0.003 4 0 "[ . 1 . 2]" 1
313 1 33 LEU MD2 1 77 PHE QE . . 4.410 2.156 1.881 2.454 . 0 0 "[ . 1 . 2]" 1
314 1 33 LEU HA 1 33 LEU MD2 . . 3.320 2.032 1.965 2.130 . 0 0 "[ . 1 . 2]" 1
315 1 33 LEU MD2 1 38 PHE QB . . 3.810 2.476 2.254 2.667 . 0 0 "[ . 1 . 2]" 1
316 1 33 LEU MD2 1 62 LEU MD1 . . 3.540 2.659 2.473 2.775 . 0 0 "[ . 1 . 2]" 1
317 1 33 LEU MD2 1 62 LEU MD2 . . 3.730 2.745 2.313 2.954 . 0 0 "[ . 1 . 2]" 1
318 1 77 PHE QD 1 81 LEU MD2 . . 4.240 2.839 2.273 3.675 . 0 0 "[ . 1 . 2]" 1
319 1 81 LEU HA 1 81 LEU MD2 . . 3.960 3.754 3.424 3.797 . 0 0 "[ . 1 . 2]" 1
320 1 29 LEU HG 1 81 LEU MD2 . . 4.570 3.680 3.480 3.828 . 0 0 "[ . 1 . 2]" 1
321 1 81 LEU MD2 1 83 ALA MB . . 3.650 2.217 1.962 2.457 . 0 0 "[ . 1 . 2]" 1
322 1 29 LEU MD1 1 58 PHE QD . . 4.300 2.313 1.932 2.773 . 0 0 "[ . 1 . 2]" 1
323 1 26 VAL HA 1 29 LEU MD1 . . 4.130 2.116 1.981 2.332 . 0 0 "[ . 1 . 2]" 1
324 1 29 LEU MD1 1 58 PHE HB3 . . 4.420 2.691 2.489 3.035 . 0 0 "[ . 1 . 2]" 1
325 1 29 LEU MD1 1 58 PHE HB2 . . 4.530 3.726 3.026 3.980 . 0 0 "[ . 1 . 2]" 1
326 1 26 VAL MG2 1 29 LEU MD1 . . 4.540 3.195 3.051 3.364 . 0 0 "[ . 1 . 2]" 1
327 1 29 LEU MD1 1 45 ILE MG . . 3.380 1.843 1.747 1.948 . 0 0 "[ . 1 . 2]" 1
328 1 29 LEU MD1 1 60 VAL MG2 . . 3.440 3.013 2.661 3.288 . 0 0 "[ . 1 . 2]" 1
329 1 29 LEU MD1 1 81 LEU MD2 . . 4.120 4.106 3.975 4.130 0.010 10 0 "[ . 1 . 2]" 1
330 1 20 ALA MB 1 55 TYR QE . . 4.250 4.233 4.151 4.279 0.029 16 0 "[ . 1 . 2]" 1
331 1 20 ALA MB 1 24 VAL HB . . 3.650 2.729 2.436 3.024 . 0 0 "[ . 1 . 2]" 1
332 1 18 LEU HG 1 20 ALA MB . . 4.000 3.301 3.161 3.399 . 0 0 "[ . 1 . 2]" 1
333 1 20 ALA MB 1 29 LEU HG . . 5.160 4.976 4.557 5.182 0.022 16 0 "[ . 1 . 2]" 1
334 1 18 LEU MD1 1 20 ALA MB . . 4.590 3.644 3.436 3.805 . 0 0 "[ . 1 . 2]" 1
335 1 20 ALA MB 1 29 LEU MD1 . . 5.150 4.250 3.842 4.522 . 0 0 "[ . 1 . 2]" 1
336 1 86 LEU H 1 86 LEU MD2 . . 4.460 3.883 3.283 4.114 . 0 0 "[ . 1 . 2]" 1
337 1 86 LEU HA 1 86 LEU MD2 . . 3.130 2.137 2.037 2.334 . 0 0 "[ . 1 . 2]" 1
338 1 84 THR MG 1 86 LEU MD2 . . 3.350 3.039 2.271 3.347 . 0 0 "[ . 1 . 2]" 1
339 1 50 ALA MB 1 56 ARG HA . . 4.500 2.647 2.027 3.044 . 0 0 "[ . 1 . 2]" 1
340 1 50 ALA MB 1 51 PRO QD . . 3.500 1.961 1.929 2.028 . 0 0 "[ . 1 . 2]" 1
341 1 50 ALA MB 1 51 PRO HG2 . . 4.070 3.697 3.594 3.704 . 0 0 "[ . 1 . 2]" 1
342 1 50 ALA MB 1 57 GLU QB . . 3.970 2.623 2.045 2.979 . 0 0 "[ . 1 . 2]" 1
343 1 43 ALA MB 1 62 LEU HG . . 4.030 3.843 3.813 3.887 . 0 0 "[ . 1 . 2]" 1
344 1 43 ALA MB 1 62 LEU MD2 . . 3.130 1.754 1.734 1.797 . 0 0 "[ . 1 . 2]" 1
345 1 45 ILE H 1 45 ILE MG . . 4.570 3.814 3.787 3.908 . 0 0 "[ . 1 . 2]" 1
346 1 45 ILE MG 1 58 PHE QD . . 3.990 3.328 2.100 3.794 . 0 0 "[ . 1 . 2]" 1
347 1 26 VAL HA 1 45 ILE MG . . 3.980 2.426 2.067 3.067 . 0 0 "[ . 1 . 2]" 1
348 1 45 ILE MG 1 58 PHE HB3 . . 4.360 3.751 3.102 4.015 . 0 0 "[ . 1 . 2]" 1
349 1 26 VAL MG2 1 45 ILE MG . . 3.290 2.538 2.096 2.937 . 0 0 "[ . 1 . 2]" 1
350 1 29 LEU HB2 1 45 ILE MG . . 3.980 2.484 2.300 3.112 . 0 0 "[ . 1 . 2]" 1
351 1 45 ILE MG 1 60 VAL MG2 . . 2.970 2.866 2.608 2.973 0.003 10 0 "[ . 1 . 2]" 1
352 1 62 LEU HA 1 63 PRO HD3 . . 3.840 2.304 2.303 2.307 . 0 0 "[ . 1 . 2]" 1
353 1 62 LEU HA 1 62 LEU MD2 . . 3.600 2.464 2.444 2.495 . 0 0 "[ . 1 . 2]" 1
354 1 65 LEU HA 1 65 LEU MD2 . . 3.400 2.598 2.426 3.155 . 0 0 "[ . 1 . 2]" 1
355 1 52 THR HA 1 53 ALA HA . . 4.600 4.370 4.366 4.373 . 0 0 "[ . 1 . 2]" 1
356 1 27 GLU H 1 27 GLU QG . . 4.380 2.559 1.961 4.038 . 0 0 "[ . 1 . 2]" 1
357 1 78 ALA MB 1 79 SER HA . . 5.000 3.915 3.856 3.970 . 0 0 "[ . 1 . 2]" 1
358 1 78 ALA MB 1 84 THR HA . . 5.160 3.129 2.692 3.303 . 0 0 "[ . 1 . 2]" 1
359 1 54 ALA MB 1 55 TYR QD . . 3.610 2.313 2.088 2.541 . 0 0 "[ . 1 . 2]" 1
360 1 53 ALA HA 1 54 ALA MB . . 4.870 4.658 4.590 4.686 . 0 0 "[ . 1 . 2]" 1
361 1 50 ALA MB 1 52 THR HB . . 4.640 4.324 4.176 4.494 . 0 0 "[ . 1 . 2]" 1
362 1 52 THR HB 1 54 ALA MB . . 5.070 4.501 4.297 4.618 . 0 0 "[ . 1 . 2]" 1
363 1 8 ILE HA 1 8 ILE MD . . 4.430 3.470 1.977 4.176 . 0 0 "[ . 1 . 2]" 1
364 1 8 ILE MD 1 8 ILE MG . . 3.400 2.198 1.871 3.128 . 0 0 "[ . 1 . 2]" 1
365 1 30 ARG HA 1 45 ILE MD . . 3.940 2.324 2.086 2.518 . 0 0 "[ . 1 . 2]" 1
366 1 26 VAL HA 1 45 ILE MD . . 4.670 3.131 2.758 3.366 . 0 0 "[ . 1 . 2]" 1
367 1 45 ILE HB 1 45 ILE MD . . 3.270 2.370 2.301 2.429 . 0 0 "[ . 1 . 2]" 1
368 1 29 LEU HB2 1 45 ILE MD . . 3.760 2.148 1.970 2.424 . 0 0 "[ . 1 . 2]" 1
369 1 45 ILE MD 1 45 ILE MG . . 3.020 2.054 1.929 2.197 . 0 0 "[ . 1 . 2]" 1
370 1 24 VAL MG1 1 45 ILE MD . . 5.500 5.478 5.377 5.523 0.023 16 0 "[ . 1 . 2]" 1
371 1 29 LEU MD2 1 45 ILE MD . . 4.420 3.312 3.172 3.496 . 0 0 "[ . 1 . 2]" 1
372 1 29 LEU MD1 1 45 ILE MD . . 4.360 3.043 2.774 3.236 . 0 0 "[ . 1 . 2]" 1
373 1 16 TYR HA 1 16 TYR QD . . 4.120 2.481 2.232 2.745 . 0 0 "[ . 1 . 2]" 1
374 1 4 PHE HA 1 4 PHE QD . . 4.160 2.890 2.178 3.727 . 0 0 "[ . 1 . 2]" 1
375 1 6 TYR HA 1 6 TYR QD . . 4.430 3.120 2.043 3.742 . 0 0 "[ . 1 . 2]" 1
376 1 76 LEU HA 1 79 SER H . . 4.480 3.533 3.505 3.714 . 0 0 "[ . 1 . 2]" 1
377 1 76 LEU HA 1 80 GLU H . . 4.320 3.952 3.658 4.012 . 0 0 "[ . 1 . 2]" 1
378 1 67 ASP HA 1 70 ARG HB3 . . 4.910 4.608 4.207 4.823 . 0 0 "[ . 1 . 2]" 1
379 1 71 LEU HA 1 74 GLU H . . 4.300 3.677 3.385 3.795 . 0 0 "[ . 1 . 2]" 1
380 1 71 LEU HA 1 74 GLU HB2 . . 4.090 2.757 2.530 2.886 . 0 0 "[ . 1 . 2]" 1
381 1 29 LEU HA 1 32 PHE HB3 . . 4.290 3.172 2.783 3.551 . 0 0 "[ . 1 . 2]" 1
382 1 29 LEU HA 1 32 PHE HB2 . . 4.290 3.749 3.562 3.919 . 0 0 "[ . 1 . 2]" 1
383 1 29 LEU HA 1 81 LEU MD2 . . 4.850 4.582 4.321 4.850 0.000 19 0 "[ . 1 . 2]" 1
384 1 76 LEU HA 1 79 SER QB . . 3.580 2.325 2.127 3.593 0.013 3 0 "[ . 1 . 2]" 1
385 1 15 ALA HA 1 61 LYS HA . . 3.820 2.415 2.071 2.524 . 0 0 "[ . 1 . 2]" 1
386 1 20 ALA HA 1 83 ALA MB . . 4.260 3.021 2.635 3.364 . 0 0 "[ . 1 . 2]" 1
387 1 50 ALA HA 1 51 PRO QD . . 3.240 2.151 2.149 2.160 . 0 0 "[ . 1 . 2]" 1
388 1 62 LEU MD2 1 63 PRO HD3 . . 4.040 3.832 3.800 3.868 . 0 0 "[ . 1 . 2]" 1
389 1 63 PRO HB3 1 64 PRO HD3 . . 4.960 3.886 3.876 3.889 . 0 0 "[ . 1 . 2]" 1
390 1 62 LEU HA 1 63 PRO HD2 . . 3.840 2.410 2.407 2.417 . 0 0 "[ . 1 . 2]" 1
391 1 63 PRO HB3 1 64 PRO HD2 . . 4.960 2.823 2.814 2.825 . 0 0 "[ . 1 . 2]" 1
392 1 18 LEU HA 1 85 VAL HA . . 4.010 2.448 2.260 2.611 . 0 0 "[ . 1 . 2]" 1
393 1 18 LEU HA 1 85 VAL MG1 . . 4.600 3.921 3.676 4.151 . 0 0 "[ . 1 . 2]" 1
394 1 69 ARG HA 1 69 ARG HD3 . . 4.180 2.773 2.000 3.742 . 0 0 "[ . 1 . 2]" 1
395 1 16 TYR HB3 1 60 VAL HB . . 4.300 3.597 3.318 3.922 . 0 0 "[ . 1 . 2]" 1
396 1 17 THR MG 1 86 LEU HB2 . . 4.490 2.966 2.670 3.350 . 0 0 "[ . 1 . 2]" 1
397 1 30 ARG HG3 1 31 ARG HA . . 4.020 3.358 3.176 3.465 . 0 0 "[ . 1 . 2]" 1
398 1 65 LEU MD1 1 70 ARG HA . . 3.910 3.623 3.310 3.904 . 0 0 "[ . 1 . 2]" 1
399 1 31 ARG HA 1 32 PHE HA . . 4.800 4.738 4.728 4.749 . 0 0 "[ . 1 . 2]" 1
400 1 26 VAL HB 1 27 GLU HA . . 4.590 4.164 4.083 4.213 . 0 0 "[ . 1 . 2]" 1
401 1 27 GLU HA 1 30 ARG HG2 . . 3.470 2.115 2.000 2.208 . 0 0 "[ . 1 . 2]" 1
402 1 20 ALA HA 1 83 ALA HA . . 4.220 2.574 2.397 2.693 . 0 0 "[ . 1 . 2]" 1
403 1 21 GLU HB2 1 22 PRO QD . . 4.230 3.252 1.962 3.506 . 0 0 "[ . 1 . 2]" 1
404 1 67 ASP HA 1 70 ARG HB2 . . 4.910 2.989 2.655 3.181 . 0 0 "[ . 1 . 2]" 1
405 1 69 ARG HA 1 72 GLU HB2 . . 4.200 3.353 2.380 3.667 . 0 0 "[ . 1 . 2]" 1
406 1 69 ARG HA 1 69 ARG HG3 . . 4.050 3.693 2.505 3.798 . 0 0 "[ . 1 . 2]" 1
407 1 77 PHE HA 1 81 LEU H . . 4.430 3.183 2.943 3.238 . 0 0 "[ . 1 . 2]" 1
408 1 77 PHE HA 1 77 PHE QD . . 3.580 2.210 2.135 2.448 . 0 0 "[ . 1 . 2]" 1
409 1 77 PHE HA 1 81 LEU HB3 . . 4.350 3.788 3.684 3.882 . 0 0 "[ . 1 . 2]" 1
410 1 77 PHE HA 1 81 LEU HB2 . . 4.350 3.003 2.832 3.136 . 0 0 "[ . 1 . 2]" 1
411 1 33 LEU HA 1 38 PHE QB . . 4.370 2.936 2.715 3.081 . 0 0 "[ . 1 . 2]" 1
412 1 33 LEU HA 1 33 LEU HG . . 4.190 2.840 2.810 2.907 . 0 0 "[ . 1 . 2]" 1
413 1 38 PHE QD 1 39 PRO HD3 . . 4.530 3.374 3.350 3.423 . 0 0 "[ . 1 . 2]" 1
414 1 38 PHE QB 1 39 PRO HD3 . . 3.970 3.364 3.362 3.369 . 0 0 "[ . 1 . 2]" 1
415 1 39 PRO HD3 1 65 LEU MD2 . . 4.510 3.413 3.038 3.704 . 0 0 "[ . 1 . 2]" 1
416 1 38 PHE QD 1 39 PRO HD2 . . 4.380 2.007 1.997 2.039 . 0 0 "[ . 1 . 2]" 1
417 1 38 PHE QB 1 39 PRO HD2 . . 3.660 1.992 1.988 1.998 . 0 0 "[ . 1 . 2]" 1
418 1 39 PRO HD2 1 65 LEU MD2 . . 4.420 3.875 3.141 4.224 . 0 0 "[ . 1 . 2]" 1
419 1 39 PRO HD2 1 62 LEU MD1 . . 4.330 4.269 4.193 4.330 . 0 0 "[ . 1 . 2]" 1
420 1 17 THR HB 1 87 ALA MB . . 3.570 2.566 2.111 2.797 . 0 0 "[ . 1 . 2]" 1
421 1 43 ALA HA 1 62 LEU MD2 . . 3.950 3.658 3.501 3.826 . 0 0 "[ . 1 . 2]" 1
422 1 53 ALA MB 1 55 TYR H . . 5.090 5.092 5.073 5.126 0.036 16 0 "[ . 1 . 2]" 1
423 1 71 LEU H 1 71 LEU MD1 . . 4.480 3.983 3.808 4.059 . 0 0 "[ . 1 . 2]" 1
424 1 68 GLU HA 1 71 LEU MD1 . . 3.970 3.594 3.150 3.937 . 0 0 "[ . 1 . 2]" 1
425 1 19 ARG HA 1 56 ARG H . . 4.780 4.604 4.389 4.781 0.001 13 0 "[ . 1 . 2]" 1
426 1 6 TYR H 1 7 SER H . . 4.490 4.253 2.468 4.491 0.001 12 0 "[ . 1 . 2]" 1
427 1 65 LEU MD1 1 73 LEU H . . 5.500 5.502 5.498 5.512 0.012 18 0 "[ . 1 . 2]" 1
428 1 74 GLU HB2 1 76 LEU H . . 5.500 5.129 4.890 5.295 . 0 0 "[ . 1 . 2]" 1
429 1 72 GLU H 1 74 GLU H . . 4.490 4.284 4.187 4.344 . 0 0 "[ . 1 . 2]" 1
430 1 73 LEU MD2 1 74 GLU H . . 4.490 4.279 4.181 4.473 . 0 0 "[ . 1 . 2]" 1
431 1 69 ARG H 1 69 ARG HE . . 4.760 4.538 3.896 4.761 0.001 11 0 "[ . 1 . 2]" 1
432 1 30 ARG HG3 1 31 ARG H . . 4.480 2.248 2.040 2.438 . 0 0 "[ . 1 . 2]" 1
433 1 78 ALA HA 1 82 LYS H . . 4.480 3.332 3.261 3.844 . 0 0 "[ . 1 . 2]" 1
434 1 18 LEU H 1 18 LEU MD1 . . 4.480 4.140 4.074 4.187 . 0 0 "[ . 1 . 2]" 1
435 1 2 VAL H 1 2 VAL MG2 . . 4.480 2.498 1.931 4.034 . 0 0 "[ . 1 . 2]" 1
436 1 42 GLU HG3 1 43 ALA H . . 4.710 3.038 1.952 4.711 0.001 18 0 "[ . 1 . 2]" 1
437 1 17 THR H 1 18 LEU H . . 4.470 4.332 4.290 4.410 . 0 0 "[ . 1 . 2]" 1
438 1 33 LEU MD1 1 40 GLY H . . 4.750 4.425 4.235 4.657 . 0 0 "[ . 1 . 2]" 1
439 1 48 VAL MG1 1 50 ALA H . . 4.750 4.085 3.688 4.676 . 0 0 "[ . 1 . 2]" 1
440 1 46 THR HB 1 59 LEU H . . 4.470 3.411 2.669 3.756 . 0 0 "[ . 1 . 2]" 1
441 1 73 LEU HA 1 77 PHE H . . 4.460 4.054 3.926 4.120 . 0 0 "[ . 1 . 2]" 1
442 1 71 LEU MD2 1 74 GLU H . . 5.020 4.769 4.301 4.981 . 0 0 "[ . 1 . 2]" 1
443 1 28 THR H 1 29 LEU HB2 . . 5.010 4.518 4.419 4.647 . 0 0 "[ . 1 . 2]" 1
444 1 28 THR H 1 29 LEU HG . . 5.480 5.097 4.915 5.256 . 0 0 "[ . 1 . 2]" 1
445 1 44 VAL HB 1 45 ILE H . . 4.460 4.253 3.871 4.308 . 0 0 "[ . 1 . 2]" 1
446 1 61 LYS H 1 61 LYS QD . . 4.740 4.451 3.870 4.710 . 0 0 "[ . 1 . 2]" 1
447 1 19 ARG H 1 86 LEU H . . 4.450 3.662 3.294 4.210 . 0 0 "[ . 1 . 2]" 1
448 1 15 ALA H 1 89 GLU QG . . 5.010 3.258 1.977 4.947 . 0 0 "[ . 1 . 2]" 1
449 1 76 LEU H 1 78 ALA MB . . 5.280 5.197 4.793 5.296 0.016 10 0 "[ . 1 . 2]" 1
450 1 80 GLU H 1 83 ALA H . . 5.500 5.337 5.273 5.377 . 0 0 "[ . 1 . 2]" 1
451 1 69 ARG H 1 71 LEU H . . 4.450 4.274 4.051 4.434 . 0 0 "[ . 1 . 2]" 1
452 1 30 ARG H 1 32 PHE H . . 4.440 4.115 3.898 4.343 . 0 0 "[ . 1 . 2]" 1
453 1 90 THR H 1 91 VAL HA . . 4.990 4.757 4.660 4.980 . 0 0 "[ . 1 . 2]" 1
454 1 11 THR H 1 12 GLY H . . 4.720 4.327 2.834 4.626 . 0 0 "[ . 1 . 2]" 1
455 1 22 PRO QD 1 56 ARG H . . 4.440 4.048 3.704 4.340 . 0 0 "[ . 1 . 2]" 1
456 1 70 ARG H 1 70 ARG QD . . 4.440 3.696 3.146 4.355 . 0 0 "[ . 1 . 2]" 1
457 1 47 GLN HA 1 59 LEU H . . 4.430 3.513 3.190 3.968 . 0 0 "[ . 1 . 2]" 1
458 1 77 PHE QD 1 78 ALA H . . 4.430 4.398 4.385 4.432 0.002 3 0 "[ . 1 . 2]" 1
459 1 68 GLU H 1 71 LEU H . . 4.980 4.878 4.775 4.953 . 0 0 "[ . 1 . 2]" 1
460 1 46 THR MG 1 59 LEU H . . 4.980 4.616 4.148 4.980 0.000 15 0 "[ . 1 . 2]" 1
461 1 73 LEU H 1 73 LEU HG . . 4.710 4.530 4.495 4.550 . 0 0 "[ . 1 . 2]" 1
462 1 18 LEU H 1 58 PHE HB2 . . 4.430 3.760 3.446 4.443 0.013 16 0 "[ . 1 . 2]" 1
463 1 5 ASN H 1 6 TYR H . . 4.430 3.832 2.076 4.424 . 0 0 "[ . 1 . 2]" 1
464 1 32 PHE H 1 33 LEU HB2 . . 4.970 4.526 4.496 4.563 . 0 0 "[ . 1 . 2]" 1
465 1 12 GLY H 1 91 VAL HB . . 4.970 4.083 2.002 4.950 . 0 0 "[ . 1 . 2]" 1
466 1 24 VAL H 1 28 THR MG . . 5.250 5.247 5.213 5.264 0.014 19 0 "[ . 1 . 2]" 1
467 1 47 GLN H 1 48 VAL H . . 4.690 4.520 4.386 4.577 . 0 0 "[ . 1 . 2]" 1
468 1 25 GLU H 1 28 THR HA . . 4.970 4.842 4.715 4.942 . 0 0 "[ . 1 . 2]" 1
469 1 81 LEU HA 1 83 ALA H . . 4.420 4.340 4.316 4.446 0.026 2 0 "[ . 1 . 2]" 1
470 1 27 GLU H 1 29 LEU H . . 4.410 4.222 4.120 4.349 . 0 0 "[ . 1 . 2]" 1
471 1 78 ALA H 1 83 ALA H . . 4.410 4.436 4.394 4.474 0.064 2 0 "[ . 1 . 2]" 1
472 1 33 LEU H 1 35 GLU H . . 4.410 3.999 3.933 4.091 . 0 0 "[ . 1 . 2]" 1
473 1 26 VAL HA 1 28 THR H . . 4.860 4.278 4.178 4.379 . 0 0 "[ . 1 . 2]" 1
474 1 28 THR H 1 31 ARG QD . . 5.500 4.437 4.153 5.124 . 0 0 "[ . 1 . 2]" 1
475 1 11 THR MG 1 13 GLY H . . 5.500 4.782 3.198 5.479 . 0 0 "[ . 1 . 2]" 1
476 1 13 GLY H 1 90 THR MG . . 5.500 4.484 3.475 5.416 . 0 0 "[ . 1 . 2]" 1
477 1 45 ILE H 1 46 THR H . . 4.680 4.489 4.245 4.566 . 0 0 "[ . 1 . 2]" 1
478 1 21 GLU H 1 56 ARG H . . 5.230 4.990 4.829 5.139 . 0 0 "[ . 1 . 2]" 1
479 1 61 LYS H 1 62 LEU H . . 4.400 4.273 4.206 4.393 . 0 0 "[ . 1 . 2]" 1
480 1 39 PRO HA 1 41 LYS H . . 4.400 3.703 3.446 4.146 . 0 0 "[ . 1 . 2]" 1
481 1 21 GLU H 1 24 VAL H . . 4.670 4.493 4.257 4.672 0.002 5 0 "[ . 1 . 2]" 1
482 1 15 ALA H 1 16 TYR H . . 4.670 4.456 4.321 4.557 . 0 0 "[ . 1 . 2]" 1
483 1 14 THR MG 1 65 LEU H . . 4.670 4.340 4.084 4.523 . 0 0 "[ . 1 . 2]" 1
484 1 18 LEU H 1 18 LEU MD2 . . 4.400 1.938 1.863 1.997 . 0 0 "[ . 1 . 2]" 1
485 1 33 LEU MD1 1 34 GLU H . . 4.670 4.384 4.257 4.516 . 0 0 "[ . 1 . 2]" 1
486 1 78 ALA MB 1 80 GLU H . . 5.480 5.138 5.082 5.168 . 0 0 "[ . 1 . 2]" 1
487 1 80 GLU H 1 82 LYS QG . . 5.500 5.175 4.989 5.513 0.013 3 0 "[ . 1 . 2]" 1
488 1 84 THR HB 1 85 VAL H . . 4.390 4.340 4.217 4.373 . 0 0 "[ . 1 . 2]" 1
489 1 75 ARG H 1 77 PHE H . . 4.660 4.229 4.183 4.430 . 0 0 "[ . 1 . 2]" 1
490 1 71 LEU H 1 74 GLU HB2 . . 5.500 5.085 4.851 5.349 . 0 0 "[ . 1 . 2]" 1
491 1 18 LEU MD2 1 86 LEU H . . 5.200 5.061 4.965 5.195 . 0 0 "[ . 1 . 2]" 1
492 1 18 LEU HB2 1 86 LEU H . . 4.380 3.922 3.757 4.201 . 0 0 "[ . 1 . 2]" 1
493 1 33 LEU HG 1 34 GLU H . . 4.650 4.577 4.535 4.630 . 0 0 "[ . 1 . 2]" 1
494 1 20 ALA MB 1 84 THR H . . 4.650 4.350 4.177 4.612 . 0 0 "[ . 1 . 2]" 1
495 1 26 VAL H 1 28 THR H . . 4.380 4.259 4.173 4.315 . 0 0 "[ . 1 . 2]" 1
496 1 14 THR HB 1 62 LEU H . . 4.370 3.783 3.601 3.934 . 0 0 "[ . 1 . 2]" 1
497 1 32 PHE H 1 35 GLU H . . 4.640 4.554 4.466 4.626 . 0 0 "[ . 1 . 2]" 1
498 1 41 LYS HA 1 43 ALA H . . 4.640 4.462 4.208 4.639 . 0 0 "[ . 1 . 2]" 1
499 1 33 LEU MD2 1 38 PHE H . . 4.640 4.547 4.396 4.646 0.006 16 0 "[ . 1 . 2]" 1
500 1 30 ARG HB2 1 34 GLU H . . 5.190 4.912 4.781 5.066 . 0 0 "[ . 1 . 2]" 1
501 1 83 ALA H 1 84 THR H . . 4.640 4.562 4.543 4.589 . 0 0 "[ . 1 . 2]" 1
502 1 86 LEU MD1 1 87 ALA H . . 4.640 4.451 4.163 4.641 0.001 15 0 "[ . 1 . 2]" 1
503 1 14 THR H 1 14 THR MG . . 4.360 3.904 3.852 3.936 . 0 0 "[ . 1 . 2]" 1
504 1 14 THR HB 1 15 ALA H . . 4.630 4.318 4.200 4.404 . 0 0 "[ . 1 . 2]" 1
505 1 91 VAL H 1 92 GLY H . . 4.360 4.246 3.953 4.343 . 0 0 "[ . 1 . 2]" 1
506 1 52 THR HB 1 54 ALA H . . 4.360 4.196 4.151 4.367 0.007 16 0 "[ . 1 . 2]" 1
507 1 82 LYS H 1 83 ALA MB . . 4.360 4.298 4.190 4.354 . 0 0 "[ . 1 . 2]" 1
508 1 51 PRO HG2 1 52 THR H . . 4.900 4.863 4.827 4.868 . 0 0 "[ . 1 . 2]" 1
509 1 67 ASP HA 1 71 LEU H . . 4.350 3.956 3.883 4.052 . 0 0 "[ . 1 . 2]" 1
510 1 34 GLU H 1 40 GLY HA2 . . 5.170 5.091 5.027 5.173 0.003 11 0 "[ . 1 . 2]" 1
511 1 16 TYR H 1 60 VAL HB . . 4.340 3.459 3.299 3.716 . 0 0 "[ . 1 . 2]" 1
512 1 16 TYR H 1 59 LEU MD1 . . 4.520 2.989 2.380 3.338 . 0 0 "[ . 1 . 2]" 1
513 1 81 LEU H 1 82 LYS HA . . 4.880 4.835 4.832 4.849 . 0 0 "[ . 1 . 2]" 1
514 1 30 ARG HB2 1 30 ARG HE . . 4.760 3.640 1.970 4.745 . 0 0 "[ . 1 . 2]" 1
515 1 22 PRO QB 1 55 TYR H . . 5.420 5.295 4.926 5.431 0.011 9 0 "[ . 1 . 2]" 1
516 1 40 GLY HA2 1 43 ALA H . . 4.330 3.397 3.147 3.579 . 0 0 "[ . 1 . 2]" 1
517 1 26 VAL MG1 1 30 ARG H . . 4.330 3.633 3.497 3.753 . 0 0 "[ . 1 . 2]" 1
518 1 13 GLY H 1 14 THR H . . 4.600 4.308 4.104 4.526 . 0 0 "[ . 1 . 2]" 1
519 1 70 ARG H 1 72 GLU H . . 4.320 4.138 4.015 4.330 0.010 19 0 "[ . 1 . 2]" 1
520 1 19 ARG HE 1 55 TYR QD . . 4.590 4.037 2.872 4.649 0.059 16 0 "[ . 1 . 2]" 1
521 1 19 ARG HE 1 86 LEU MD1 . . 4.590 4.124 2.218 4.587 . 0 0 "[ . 1 . 2]" 1
522 1 34 GLU HA 1 41 LYS H . . 4.590 4.399 4.166 4.532 . 0 0 "[ . 1 . 2]" 1
523 1 6 TYR H 1 6 TYR QD . . 4.320 3.269 2.119 4.320 0.000 7 0 "[ . 1 . 2]" 1
524 1 88 SER H 1 89 GLU H . . 4.590 4.267 4.077 4.365 . 0 0 "[ . 1 . 2]" 1
525 1 36 LYS HB3 1 37 GLY H . . 4.320 3.882 3.731 4.098 . 0 0 "[ . 1 . 2]" 1
526 1 48 VAL MG2 1 58 PHE H . . 5.120 4.629 4.300 4.869 . 0 0 "[ . 1 . 2]" 1
527 1 78 ALA H 1 80 GLU H . . 4.850 4.784 4.734 4.826 . 0 0 "[ . 1 . 2]" 1
528 1 76 LEU H 1 78 ALA H . . 4.580 4.546 4.274 4.587 0.007 15 0 "[ . 1 . 2]" 1
529 1 40 GLY H 1 42 GLU H . . 4.310 3.840 3.543 4.106 . 0 0 "[ . 1 . 2]" 1
530 1 36 LYS HB2 1 37 GLY H . . 4.320 3.048 2.968 3.125 . 0 0 "[ . 1 . 2]" 1
531 1 14 THR H 1 15 ALA H . . 4.300 4.109 4.032 4.206 . 0 0 "[ . 1 . 2]" 1
532 1 48 VAL H 1 59 LEU H . . 4.570 4.113 3.703 4.580 0.010 16 0 "[ . 1 . 2]" 1
533 1 70 ARG H 1 73 LEU H . . 4.840 4.774 4.698 4.828 . 0 0 "[ . 1 . 2]" 1
534 1 87 ALA H 1 88 SER H . . 4.570 4.387 4.368 4.446 . 0 0 "[ . 1 . 2]" 1
535 1 66 SER H 1 67 ASP H . . 4.830 4.623 4.593 4.632 . 0 0 "[ . 1 . 2]" 1
536 1 27 GLU H 1 30 ARG HG2 . . 4.300 4.251 4.180 4.312 0.012 16 0 "[ . 1 . 2]" 1
537 1 14 THR HB 1 65 LEU H . . 4.830 4.648 4.540 4.751 . 0 0 "[ . 1 . 2]" 1
538 1 21 GLU H 1 83 ALA HA . . 4.830 4.420 4.244 4.600 . 0 0 "[ . 1 . 2]" 1
539 1 55 TYR H 1 56 ARG H . . 4.560 4.403 4.320 4.439 . 0 0 "[ . 1 . 2]" 1
540 1 21 GLU HA 1 23 ASN H . . 4.290 4.008 3.915 4.124 . 0 0 "[ . 1 . 2]" 1
541 1 71 LEU MD2 1 72 GLU H . . 4.540 4.321 4.123 4.436 . 0 0 "[ . 1 . 2]" 1
542 1 52 THR HA 1 54 ALA H . . 4.280 3.871 3.797 4.024 . 0 0 "[ . 1 . 2]" 1
543 1 90 THR MG 1 92 GLY H . . 4.540 4.165 3.506 4.528 . 0 0 "[ . 1 . 2]" 1
544 1 66 SER H 1 69 ARG H . . 4.280 4.108 3.935 4.237 . 0 0 "[ . 1 . 2]" 1
545 1 79 SER H 1 81 LEU H . . 4.280 3.965 3.943 4.130 . 0 0 "[ . 1 . 2]" 1
546 1 50 ALA H 1 51 PRO QD . . 4.540 4.365 4.344 4.371 . 0 0 "[ . 1 . 2]" 1
547 1 81 LEU HB2 1 83 ALA H . . 4.270 4.011 3.908 4.167 . 0 0 "[ . 1 . 2]" 1
548 1 19 ARG H 1 86 LEU MD1 . . 4.270 3.382 2.889 3.708 . 0 0 "[ . 1 . 2]" 1
549 1 24 VAL MG1 1 28 THR H . . 4.270 4.108 3.968 4.273 0.003 11 0 "[ . 1 . 2]" 1
550 1 45 ILE MG 1 59 LEU H . . 4.270 4.177 3.896 4.273 0.003 9 0 "[ . 1 . 2]" 1
551 1 74 GLU H 1 75 ARG QB . . 5.500 4.662 4.520 5.093 . 0 0 "[ . 1 . 2]" 1
552 1 58 PHE QD 1 59 LEU H . . 4.260 3.937 3.306 4.262 0.002 12 0 "[ . 1 . 2]" 1
553 1 41 LYS H 1 43 ALA H . . 4.250 3.855 3.696 3.991 . 0 0 "[ . 1 . 2]" 1
554 1 76 LEU HA 1 78 ALA H . . 5.050 4.873 4.810 4.899 . 0 0 "[ . 1 . 2]" 1
555 1 22 PRO HA 1 56 ARG H . . 4.780 4.568 4.090 4.807 0.027 9 0 "[ . 1 . 2]" 1
556 1 44 VAL H 1 61 LYS HB2 . . 4.240 3.655 3.447 3.962 . 0 0 "[ . 1 . 2]" 1
557 1 13 GLY H 1 91 VAL H . . 4.240 3.464 2.620 4.243 0.003 5 0 "[ . 1 . 2]" 1
558 1 69 ARG HA 1 73 LEU H . . 4.240 3.998 3.779 4.242 0.002 20 0 "[ . 1 . 2]" 1
559 1 33 LEU HB3 1 38 PHE H . . 5.030 4.913 4.686 5.031 0.001 14 0 "[ . 1 . 2]" 1
560 1 26 VAL MG1 1 30 ARG HE . . 4.490 3.629 1.913 4.509 0.019 11 0 "[ . 1 . 2]" 1
561 1 25 GLU HG2 1 26 VAL H . . 4.220 3.431 3.291 3.657 . 0 0 "[ . 1 . 2]" 1
562 1 33 LEU HA 1 38 PHE H . . 4.220 4.122 3.903 4.225 0.005 17 0 "[ . 1 . 2]" 1
563 1 14 THR H 1 64 PRO HA . . 5.020 4.948 4.798 5.021 0.001 9 0 "[ . 1 . 2]" 1
564 1 23 ASN H 1 24 VAL HB . . 5.020 4.803 4.620 5.015 . 0 0 "[ . 1 . 2]" 1
565 1 44 VAL H 1 61 LYS HB3 . . 4.220 2.161 1.968 2.462 . 0 0 "[ . 1 . 2]" 1
566 1 66 SER H 1 69 ARG HG2 . . 4.220 3.581 2.882 4.156 . 0 0 "[ . 1 . 2]" 1
567 1 16 TYR H 1 61 LYS HA . . 4.210 3.453 3.280 3.628 . 0 0 "[ . 1 . 2]" 1
568 1 67 ASP HA 1 70 ARG HE . . 5.000 4.188 2.530 5.004 0.004 20 0 "[ . 1 . 2]" 1
569 1 81 LEU H 1 83 ALA H . . 4.210 4.023 3.876 4.061 . 0 0 "[ . 1 . 2]" 1
570 1 77 PHE H 1 78 ALA MB . . 4.460 4.421 4.211 4.473 0.013 18 0 "[ . 1 . 2]" 1
571 1 81 LEU H 1 81 LEU HG . . 4.720 4.437 4.204 4.474 . 0 0 "[ . 1 . 2]" 1
572 1 91 VAL MG2 1 92 GLY H . . 4.450 4.214 4.144 4.294 . 0 0 "[ . 1 . 2]" 1
573 1 85 VAL MG1 1 88 SER H . . 4.980 4.833 4.568 4.979 . 0 0 "[ . 1 . 2]" 1
574 1 18 LEU H 1 59 LEU MD2 . . 4.740 4.117 3.809 4.392 . 0 0 "[ . 1 . 2]" 1
575 1 18 LEU H 1 60 VAL MG2 . . 4.920 3.836 3.575 4.120 . 0 0 "[ . 1 . 2]" 1
576 1 29 LEU H 1 29 LEU MD2 . . 4.190 4.094 3.963 4.199 0.009 12 0 "[ . 1 . 2]" 1
577 1 73 LEU H 1 73 LEU MD1 . . 4.190 3.952 3.900 4.015 . 0 0 "[ . 1 . 2]" 1
578 1 31 ARG H 1 31 ARG QD . . 4.450 3.922 3.805 4.236 . 0 0 "[ . 1 . 2]" 1
579 1 43 ALA H 1 44 VAL H . . 4.700 4.609 4.557 4.640 . 0 0 "[ . 1 . 2]" 1
580 1 8 ILE H 1 8 ILE MD . . 4.180 3.546 1.979 3.974 . 0 0 "[ . 1 . 2]" 1
581 1 30 ARG HG2 1 32 PHE H . . 5.500 4.892 4.629 5.162 . 0 0 "[ . 1 . 2]" 1
582 1 28 THR HA 1 31 ARG H . . 4.180 3.595 3.528 3.646 . 0 0 "[ . 1 . 2]" 1
583 1 20 ALA H 1 55 TYR QD . . 4.170 3.331 2.881 3.709 . 0 0 "[ . 1 . 2]" 1
584 1 16 TYR HB2 1 60 VAL H . . 4.170 3.978 3.630 4.173 0.003 2 0 "[ . 1 . 2]" 1
585 1 59 LEU HB3 1 60 VAL H . . 4.690 4.201 4.133 4.359 . 0 0 "[ . 1 . 2]" 1
586 1 27 GLU HA 1 29 LEU H . . 4.950 4.464 4.357 4.608 . 0 0 "[ . 1 . 2]" 1
587 1 57 GLU H 1 57 GLU HG3 . . 4.690 4.172 3.371 4.694 0.004 7 0 "[ . 1 . 2]" 1
588 1 65 LEU MD1 1 70 ARG H . . 4.160 4.069 3.860 4.163 0.003 2 0 "[ . 1 . 2]" 1
589 1 65 LEU H 1 66 SER H . . 4.420 4.391 4.370 4.409 . 0 0 "[ . 1 . 2]" 1
590 1 78 ALA MB 1 83 ALA H . . 4.160 3.597 3.560 3.666 . 0 0 "[ . 1 . 2]" 1
591 1 17 THR MG 1 58 PHE H . . 4.160 3.540 3.291 3.680 . 0 0 "[ . 1 . 2]" 1
592 1 28 THR H 1 30 ARG H . . 4.410 4.282 4.188 4.358 . 0 0 "[ . 1 . 2]" 1
593 1 33 LEU HA 1 36 LYS H . . 4.150 3.883 3.785 3.968 . 0 0 "[ . 1 . 2]" 1
594 1 76 LEU MD2 1 80 GLU H . . 4.410 3.755 3.192 4.409 . 0 0 "[ . 1 . 2]" 1
595 1 34 GLU H 1 40 GLY H . . 4.670 4.629 4.540 4.671 0.001 10 0 "[ . 1 . 2]" 1
596 1 50 ALA HA 1 52 THR H . . 4.930 4.877 4.806 4.885 . 0 0 "[ . 1 . 2]" 1
597 1 73 LEU MD1 1 77 PHE H . . 4.140 4.031 3.818 4.142 0.002 17 0 "[ . 1 . 2]" 1
598 1 90 THR HB 1 91 VAL H . . 4.130 3.881 3.699 4.097 . 0 0 "[ . 1 . 2]" 1
599 1 40 GLY H 1 41 LYS HA . . 4.910 4.757 4.623 4.914 0.004 16 0 "[ . 1 . 2]" 1
600 1 81 LEU HB2 1 82 LYS H . . 4.130 3.900 3.808 4.029 . 0 0 "[ . 1 . 2]" 1
601 1 18 LEU H 1 19 ARG H . . 4.950 4.402 4.374 4.449 . 0 0 "[ . 1 . 2]" 1
602 1 19 ARG H 1 20 ALA H . . 5.340 4.542 4.460 4.584 . 0 0 "[ . 1 . 2]" 1
603 1 36 LYS H 1 38 PHE H . . 4.120 4.029 3.931 4.070 . 0 0 "[ . 1 . 2]" 1
604 1 69 ARG HG2 1 70 ARG H . . 4.630 4.284 4.073 4.728 0.098 17 0 "[ . 1 . 2]" 1
605 1 17 THR H 1 88 SER H . . 4.890 4.461 4.299 4.583 . 0 0 "[ . 1 . 2]" 1
606 1 6 TYR H 1 6 TYR HB3 . . 4.110 3.275 2.429 3.888 . 0 0 "[ . 1 . 2]" 1
607 1 19 ARG H 1 83 ALA MB . . 4.110 3.659 3.445 3.760 . 0 0 "[ . 1 . 2]" 1
608 1 73 LEU H 1 73 LEU MD2 . . 4.360 4.200 4.160 4.236 . 0 0 "[ . 1 . 2]" 1
609 1 35 GLU HA 1 37 GLY H . . 4.100 4.067 4.009 4.101 0.001 11 0 "[ . 1 . 2]" 1
610 1 6 TYR HB2 1 7 SER H . . 4.350 3.492 2.049 4.349 . 0 0 "[ . 1 . 2]" 1
611 1 19 ARG QB 1 19 ARG HE . . 4.100 2.694 1.938 4.099 . 0 0 "[ . 1 . 2]" 1
612 1 81 LEU HB3 1 82 LYS H . . 4.130 3.357 3.325 3.399 . 0 0 "[ . 1 . 2]" 1
613 1 35 GLU H 1 37 GLY H . . 4.090 3.866 3.825 3.912 . 0 0 "[ . 1 . 2]" 1
614 1 43 ALA H 1 62 LEU MD2 . . 4.350 4.262 4.212 4.304 . 0 0 "[ . 1 . 2]" 1
615 1 21 GLU H 1 22 PRO QD . . 4.350 4.340 4.330 4.352 0.002 9 0 "[ . 1 . 2]" 1
616 1 28 THR H 1 31 ARG H . . 4.860 4.664 4.578 4.739 . 0 0 "[ . 1 . 2]" 1
617 1 77 PHE HA 1 79 SER H . . 4.090 3.860 3.821 4.064 . 0 0 "[ . 1 . 2]" 1
618 1 82 LYS H 1 82 LYS HB3 . . 4.090 4.063 4.021 4.084 . 0 0 "[ . 1 . 2]" 1
619 1 28 THR H 1 30 ARG HG2 . . 4.340 4.236 4.192 4.322 . 0 0 "[ . 1 . 2]" 1
620 1 30 ARG HA 1 34 GLU H . . 4.510 3.927 3.801 4.023 . 0 0 "[ . 1 . 2]" 1
621 1 82 LYS H 1 82 LYS QG . . 4.080 2.796 2.609 3.131 . 0 0 "[ . 1 . 2]" 1
622 1 57 GLU H 1 57 GLU HG2 . . 4.690 4.426 4.287 4.708 0.018 9 0 "[ . 1 . 2]" 1
623 1 58 PHE HB2 1 59 LEU H . . 4.580 4.302 4.084 4.451 . 0 0 "[ . 1 . 2]" 1
624 1 45 ILE H 1 45 ILE MD . . 4.060 3.676 3.376 4.037 . 0 0 "[ . 1 . 2]" 1
625 1 25 GLU HG3 1 26 VAL H . . 4.560 4.400 4.213 4.553 . 0 0 "[ . 1 . 2]" 1
626 1 17 THR H 1 85 VAL MG1 . . 4.310 4.206 3.927 4.310 . 0 0 "[ . 1 . 2]" 1
627 1 25 GLU H 1 29 LEU H . . 4.310 4.193 3.901 4.311 0.001 20 0 "[ . 1 . 2]" 1
628 1 34 GLU H 1 40 GLY HA3 . . 4.050 3.442 3.404 3.498 . 0 0 "[ . 1 . 2]" 1
629 1 82 LYS H 1 82 LYS HB2 . . 4.090 3.459 3.306 3.716 . 0 0 "[ . 1 . 2]" 1
630 1 33 LEU HB3 1 40 GLY H . . 4.040 3.500 3.325 3.678 . 0 0 "[ . 1 . 2]" 1
631 1 74 GLU HA 1 77 PHE H . . 4.040 3.703 3.674 3.770 . 0 0 "[ . 1 . 2]" 1
632 1 17 THR H 1 17 THR MG . . 4.040 3.815 3.788 3.837 . 0 0 "[ . 1 . 2]" 1
633 1 39 PRO HB2 1 40 GLY H . . 4.290 4.120 4.015 4.254 . 0 0 "[ . 1 . 2]" 1
634 1 52 THR HB 1 53 ALA H . . 4.280 3.967 3.893 4.014 . 0 0 "[ . 1 . 2]" 1
635 1 34 GLU H 1 36 LYS H . . 4.530 4.309 4.208 4.356 . 0 0 "[ . 1 . 2]" 1
636 1 57 GLU HG3 1 58 PHE H . . 4.270 3.202 2.185 4.227 . 0 0 "[ . 1 . 2]" 1
637 1 42 GLU HB3 1 43 ALA H . . 4.540 3.986 3.806 4.147 . 0 0 "[ . 1 . 2]" 1
638 1 42 GLU HG2 1 43 ALA H . . 4.710 3.319 2.207 4.709 . 0 0 "[ . 1 . 2]" 1
639 1 29 LEU HA 1 33 LEU H . . 4.260 4.078 3.944 4.171 . 0 0 "[ . 1 . 2]" 1
640 1 73 LEU HB2 1 74 GLU H . . 4.000 3.713 3.670 3.845 . 0 0 "[ . 1 . 2]" 1
641 1 46 THR H 1 59 LEU MD1 . . 4.880 4.129 3.382 4.343 . 0 0 "[ . 1 . 2]" 1
642 1 46 THR H 1 60 VAL MG2 . . 5.190 4.145 3.868 4.337 . 0 0 "[ . 1 . 2]" 1
643 1 58 PHE H 1 58 PHE HB3 . . 4.000 3.746 3.592 3.887 . 0 0 "[ . 1 . 2]" 1
644 1 16 TYR QD 1 17 THR H . . 4.000 3.619 3.332 3.874 . 0 0 "[ . 1 . 2]" 1
645 1 11 THR H 1 11 THR MG . . 4.000 3.134 2.057 3.983 . 0 0 "[ . 1 . 2]" 1
646 1 26 VAL HA 1 30 ARG H . . 4.000 3.976 3.809 4.038 0.038 20 0 "[ . 1 . 2]" 1
647 1 19 ARG QB 1 84 THR H . . 4.000 3.235 3.140 3.374 . 0 0 "[ . 1 . 2]" 1
648 1 57 GLU HG2 1 58 PHE H . . 4.270 3.207 2.349 4.126 . 0 0 "[ . 1 . 2]" 1
649 1 29 LEU H 1 29 LEU MD1 . . 3.990 3.250 3.172 3.382 . 0 0 "[ . 1 . 2]" 1
650 1 6 TYR HB3 1 7 SER H . . 4.350 3.764 1.950 4.350 . 12 0 "[ . 1 . 2]" 1
651 1 22 PRO HA 1 24 VAL H . . 4.480 4.387 3.973 4.485 0.005 16 0 "[ . 1 . 2]" 1
652 1 51 PRO QD 1 52 THR H . . 4.480 4.379 4.327 4.385 . 0 0 "[ . 1 . 2]" 1
653 1 44 VAL HB 1 61 LYS H . . 4.230 3.890 3.541 4.056 . 0 0 "[ . 1 . 2]" 1
654 1 66 SER H 1 69 ARG HB3 . . 4.220 3.974 3.695 4.177 . 0 0 "[ . 1 . 2]" 1
655 1 9 ASP H 1 10 PHE H . . 3.970 3.058 1.909 3.948 . 0 0 "[ . 1 . 2]" 1
656 1 42 GLU H 1 43 ALA MB . . 4.210 4.054 3.844 4.155 . 0 0 "[ . 1 . 2]" 1
657 1 69 ARG HB3 1 70 ARG H . . 3.960 3.311 2.986 3.455 . 0 0 "[ . 1 . 2]" 1
658 1 41 LYS H 1 41 LYS QD . . 3.960 3.650 3.212 3.942 . 0 0 "[ . 1 . 2]" 1
659 1 77 PHE H 1 77 PHE QD . . 3.960 3.280 3.091 3.338 . 0 0 "[ . 1 . 2]" 1
660 1 19 ARG QG 1 58 PHE H . . 4.940 4.271 3.596 4.768 . 0 0 "[ . 1 . 2]" 1
661 1 55 TYR H 1 55 TYR QD . . 3.950 3.485 3.318 3.676 . 0 0 "[ . 1 . 2]" 1
662 1 48 VAL MG2 1 49 GLN H . . 4.190 4.144 4.008 4.211 0.021 9 0 "[ . 1 . 2]" 1
663 1 26 VAL HA 1 29 LEU H . . 3.940 3.311 3.224 3.444 . 0 0 "[ . 1 . 2]" 1
664 1 15 ALA HA 1 62 LEU H . . 3.930 3.130 2.948 3.280 . 0 0 "[ . 1 . 2]" 1
665 1 89 GLU H 1 90 THR H . . 4.420 4.367 4.221 4.419 . 0 0 "[ . 1 . 2]" 1
666 1 52 THR H 1 52 THR HB . . 3.920 3.678 3.626 3.726 . 0 0 "[ . 1 . 2]" 1
667 1 17 THR H 1 88 SER HA . . 3.920 2.703 2.530 2.886 . 0 0 "[ . 1 . 2]" 1
668 1 81 LEU HB3 1 83 ALA H . . 4.270 2.468 2.438 2.622 . 0 0 "[ . 1 . 2]" 1
669 1 52 THR H 1 53 ALA H . . 4.150 4.126 4.075 4.151 0.001 19 0 "[ . 1 . 2]" 1
670 1 80 GLU H 1 82 LYS H . . 3.910 3.462 3.442 3.616 . 0 0 "[ . 1 . 2]" 1
671 1 78 ALA H 1 83 ALA MB . . 3.900 3.764 3.595 3.874 . 0 0 "[ . 1 . 2]" 1
672 1 25 GLU HA 1 27 GLU H . . 4.880 4.682 4.543 4.731 . 0 0 "[ . 1 . 2]" 1
673 1 29 LEU H 1 31 ARG H . . 4.140 4.052 3.949 4.126 . 0 0 "[ . 1 . 2]" 1
674 1 32 PHE H 1 32 PHE QD . . 4.380 4.145 4.043 4.193 . 0 0 "[ . 1 . 2]" 1
675 1 53 ALA HA 1 55 TYR H . . 4.380 4.307 4.195 4.382 0.002 20 0 "[ . 1 . 2]" 1
676 1 20 ALA H 1 55 TYR QB . . 4.370 3.966 3.564 4.358 . 0 0 "[ . 1 . 2]" 1
677 1 88 SER HB3 1 89 GLU H . . 4.120 3.938 2.794 4.109 . 0 0 "[ . 1 . 2]" 1
678 1 24 VAL MG1 1 29 LEU H . . 3.880 3.476 3.302 3.646 . 0 0 "[ . 1 . 2]" 1
679 1 42 GLU HB2 1 43 ALA H . . 4.540 3.556 2.665 4.036 . 0 0 "[ . 1 . 2]" 1
680 1 88 SER H 1 88 SER HB2 . . 4.110 3.949 2.979 4.058 . 0 0 "[ . 1 . 2]" 1
681 1 16 TYR H 1 16 TYR QD . . 3.870 3.613 3.366 3.806 . 0 0 "[ . 1 . 2]" 1
682 1 59 LEU HB2 1 60 VAL H . . 4.880 4.550 4.367 4.589 . 0 0 "[ . 1 . 2]" 1
683 1 59 LEU HG 1 60 VAL H . . 5.300 5.115 4.895 5.222 . 0 0 "[ . 1 . 2]" 1
684 1 20 ALA H 1 57 GLU HA . . 3.860 3.511 3.141 3.774 . 0 0 "[ . 1 . 2]" 1
685 1 85 VAL HA 1 87 ALA H . . 4.100 3.979 3.701 4.101 0.001 16 0 "[ . 1 . 2]" 1
686 1 59 LEU MD1 1 61 LYS H . . 4.580 3.682 2.991 4.005 . 0 0 "[ . 1 . 2]" 1
687 1 60 VAL MG2 1 61 LYS H . . 5.020 4.169 4.080 4.255 . 0 0 "[ . 1 . 2]" 1
688 1 80 GLU H 1 80 GLU HG3 . . 4.250 3.768 2.762 4.134 . 0 0 "[ . 1 . 2]" 1
689 1 75 ARG H 1 75 ARG HG2 . . 3.850 3.125 1.928 3.840 . 0 0 "[ . 1 . 2]" 1
690 1 24 VAL MG2 1 25 GLU H . . 4.090 4.028 3.932 4.092 0.002 20 0 "[ . 1 . 2]" 1
691 1 62 LEU H 1 62 LEU HG . . 3.850 2.590 2.561 2.621 . 0 0 "[ . 1 . 2]" 1
692 1 46 THR H 1 59 LEU HB3 . . 3.850 3.392 3.127 3.605 . 0 0 "[ . 1 . 2]" 1
693 1 8 ILE H 1 9 ASP H . . 4.560 4.504 4.373 4.559 . 0 0 "[ . 1 . 2]" 1
694 1 20 ALA MB 1 24 VAL H . . 4.320 4.305 4.236 4.327 0.007 7 0 "[ . 1 . 2]" 1
695 1 10 PHE H 1 10 PHE HB3 . . 3.840 3.375 2.513 3.777 . 0 0 "[ . 1 . 2]" 1
696 1 33 LEU HB3 1 34 GLU H . . 3.840 3.289 3.130 3.480 . 0 0 "[ . 1 . 2]" 1
697 1 80 GLU HB3 1 81 LEU H . . 3.840 3.204 2.924 3.580 . 0 0 "[ . 1 . 2]" 1
698 1 49 GLN QG 1 50 ALA H . . 3.830 3.283 2.489 3.826 . 0 0 "[ . 1 . 2]" 1
699 1 52 THR MG 1 54 ALA H . . 3.830 3.033 2.906 3.112 . 0 0 "[ . 1 . 2]" 1
700 1 19 ARG H 1 84 THR HB . . 3.830 3.414 3.190 3.641 . 0 0 "[ . 1 . 2]" 1
701 1 76 LEU HB2 1 77 PHE H . . 3.820 3.244 2.679 3.663 . 0 0 "[ . 1 . 2]" 1
702 1 16 TYR H 1 16 TYR HB2 . . 3.860 2.424 2.304 2.612 . 0 0 "[ . 1 . 2]" 1
703 1 91 VAL HB 1 92 GLY H . . 4.540 4.326 4.158 4.433 . 0 0 "[ . 1 . 2]" 1
704 1 36 LYS H 1 36 LYS HG2 . . 3.820 2.432 2.046 2.722 . 0 0 "[ . 1 . 2]" 1
705 1 6 TYR H 1 6 TYR HB2 . . 4.110 3.258 2.406 4.019 . 0 0 "[ . 1 . 2]" 1
706 1 73 LEU HA 1 76 LEU H . . 3.810 3.742 3.429 3.816 0.006 17 0 "[ . 1 . 2]" 1
707 1 29 LEU HA 1 32 PHE H . . 3.810 3.674 3.627 3.737 . 0 0 "[ . 1 . 2]" 1
708 1 46 THR H 1 46 THR MG . . 4.050 3.902 3.548 3.983 . 0 0 "[ . 1 . 2]" 1
709 1 65 LEU H 1 65 LEU HB2 . . 3.800 2.651 2.615 2.757 . 0 0 "[ . 1 . 2]" 1
710 1 25 GLU H 1 25 GLU HB3 . . 3.800 3.647 3.570 3.756 . 0 0 "[ . 1 . 2]" 1
711 1 8 ILE H 1 8 ILE HG13 . . 4.030 2.962 1.996 3.947 . 0 0 "[ . 1 . 2]" 1
712 1 60 VAL H 1 60 VAL MG1 . . 4.020 3.826 3.822 3.844 . 0 0 "[ . 1 . 2]" 1
713 1 14 THR H 1 62 LEU H . . 3.780 3.655 3.590 3.749 . 0 0 "[ . 1 . 2]" 1
714 1 30 ARG H 1 30 ARG HG3 . . 3.780 3.309 3.143 3.426 . 0 0 "[ . 1 . 2]" 1
715 1 33 LEU H 1 33 LEU MD1 . . 3.780 3.594 3.448 3.710 . 0 0 "[ . 1 . 2]" 1
716 1 32 PHE QD 1 33 LEU H . . 4.240 3.727 3.184 4.242 0.002 15 0 "[ . 1 . 2]" 1
717 1 80 GLU HB2 1 81 LEU H . . 3.840 2.476 2.315 2.639 . 0 0 "[ . 1 . 2]" 1
718 1 79 SER QB 1 80 GLU H . . 3.760 2.410 2.189 3.002 . 0 0 "[ . 1 . 2]" 1
719 1 36 LYS H 1 36 LYS QD . . 3.990 3.819 3.354 4.036 0.046 10 0 "[ . 1 . 2]" 1
720 1 62 LEU H 1 62 LEU MD2 . . 3.750 3.478 3.432 3.519 . 0 0 "[ . 1 . 2]" 1
721 1 90 THR H 1 90 THR MG . . 3.980 3.950 3.863 3.981 0.001 7 0 "[ . 1 . 2]" 1
722 1 67 ASP HA 1 70 ARG H . . 3.980 3.758 3.597 3.922 . 0 0 "[ . 1 . 2]" 1
723 1 30 ARG H 1 45 ILE MD . . 3.750 2.410 2.305 2.688 . 0 0 "[ . 1 . 2]" 1
724 1 65 LEU H 1 65 LEU MD2 . . 4.210 3.951 3.827 4.151 . 0 0 "[ . 1 . 2]" 1
725 1 8 ILE HB 1 9 ASP H . . 3.970 3.209 1.958 3.969 . 0 0 "[ . 1 . 2]" 1
726 1 7 SER QB 1 8 ILE H . . 3.740 2.966 2.110 3.838 0.098 4 0 "[ . 1 . 2]" 1
727 1 19 ARG HA 1 58 PHE H . . 3.740 2.932 2.686 3.319 . 0 0 "[ . 1 . 2]" 1
728 1 33 LEU H 1 33 LEU MD2 . . 3.740 3.733 3.622 3.764 0.024 10 0 "[ . 1 . 2]" 1
729 1 68 GLU QG 1 69 ARG H . . 3.970 3.807 2.160 3.965 . 0 0 "[ . 1 . 2]" 1
730 1 29 LEU HB2 1 30 ARG H . . 3.730 2.592 2.460 2.748 . 0 0 "[ . 1 . 2]" 1
731 1 25 GLU HB3 1 28 THR H . . 3.960 3.853 3.733 3.952 . 0 0 "[ . 1 . 2]" 1
732 1 19 ARG QB 1 20 ALA H . . 3.730 3.439 3.014 3.719 . 0 0 "[ . 1 . 2]" 1
733 1 58 PHE H 1 58 PHE QD . . 3.730 3.201 2.690 3.729 . 0 0 "[ . 1 . 2]" 1
734 1 25 GLU H 1 28 THR MG . . 3.720 3.505 3.312 3.616 . 0 0 "[ . 1 . 2]" 1
735 1 55 TYR QD 1 56 ARG H . . 3.720 3.139 2.867 3.418 . 0 0 "[ . 1 . 2]" 1
736 1 25 GLU H 1 25 GLU HG3 . . 3.720 3.487 3.229 3.715 . 0 0 "[ . 1 . 2]" 1
737 1 31 ARG HA 1 34 GLU H . . 3.950 3.798 3.656 3.894 . 0 0 "[ . 1 . 2]" 1
738 1 11 THR MG 1 12 GLY H . . 3.710 2.896 1.988 3.710 . 0 0 "[ . 1 . 2]" 1
739 1 16 TYR H 1 60 VAL H . . 3.710 3.404 3.036 3.688 . 0 0 "[ . 1 . 2]" 1
740 1 1 MET QB 1 2 VAL H . . 3.920 3.150 2.111 3.903 . 0 0 "[ . 1 . 2]" 1
741 1 14 THR MG 1 89 GLU H . . 3.710 3.578 3.339 3.711 0.001 12 0 "[ . 1 . 2]" 1
742 1 17 THR H 1 87 ALA MB . . 4.170 3.821 3.148 4.043 . 0 0 "[ . 1 . 2]" 1
743 1 22 PRO QD 1 23 ASN H . . 3.710 2.702 2.626 2.772 . 0 0 "[ . 1 . 2]" 1
744 1 23 ASN H 1 24 VAL MG2 . . 4.170 3.992 3.792 4.162 . 0 0 "[ . 1 . 2]" 1
745 1 65 LEU HB3 1 66 SER H . . 3.700 1.983 1.972 2.069 . 0 0 "[ . 1 . 2]" 1
746 1 42 GLU H 1 42 GLU HG3 . . 3.700 2.893 2.097 3.602 . 0 0 "[ . 1 . 2]" 1
747 1 45 ILE H 1 45 ILE HG13 . . 3.930 2.441 2.327 2.682 . 0 0 "[ . 1 . 2]" 1
748 1 8 ILE H 1 8 ILE MG . . 3.930 3.379 2.409 3.878 . 0 0 "[ . 1 . 2]" 1
749 1 16 TYR HB3 1 17 THR H . . 3.930 3.666 3.551 3.735 . 0 0 "[ . 1 . 2]" 1
750 1 18 LEU H 1 18 LEU HG . . 3.690 3.599 3.554 3.695 0.005 16 0 "[ . 1 . 2]" 1
751 1 7 SER H 1 8 ILE H . . 5.360 4.244 2.737 4.560 . 0 0 "[ . 1 . 2]" 1
752 1 15 ALA MB 1 16 TYR H . . 3.690 3.144 2.887 3.365 . 0 0 "[ . 1 . 2]" 1
753 1 32 PHE HB3 1 33 LEU H . . 3.920 2.615 2.455 2.772 . 0 0 "[ . 1 . 2]" 1
754 1 71 LEU HB2 1 72 GLU H . . 3.690 3.124 2.942 3.250 . 0 0 "[ . 1 . 2]" 1
755 1 19 ARG HE 1 19 ARG QG . . 3.690 2.563 2.153 3.359 . 0 0 "[ . 1 . 2]" 1
756 1 13 GLY H 1 91 VAL HB . . 3.680 2.411 1.950 3.245 . 0 0 "[ . 1 . 2]" 1
757 1 18 LEU HB2 1 19 ARG H . . 3.680 2.950 2.717 3.012 . 0 0 "[ . 1 . 2]" 1
758 1 12 GLY H 1 13 GLY H . . 3.680 3.286 2.114 3.681 0.001 18 0 "[ . 1 . 2]" 1
759 1 82 LYS H 1 82 LYS QD . . 3.670 3.496 3.052 3.660 . 0 0 "[ . 1 . 2]" 1
760 1 26 VAL MG2 1 27 GLU H . . 3.900 3.754 3.690 3.820 . 0 0 "[ . 1 . 2]" 1
761 1 25 GLU HB2 1 26 VAL H . . 3.670 3.582 3.498 3.668 . 0 0 "[ . 1 . 2]" 1
762 1 69 ARG HA 1 72 GLU H . . 3.670 3.556 3.461 3.694 0.024 18 0 "[ . 1 . 2]" 1
763 1 89 GLU QG 1 90 THR H . . 4.360 4.043 3.598 4.347 . 0 0 "[ . 1 . 2]" 1
764 1 15 ALA MB 1 89 GLU H . . 3.670 3.354 3.184 3.579 . 0 0 "[ . 1 . 2]" 1
765 1 66 SER HB2 1 67 ASP H . . 4.340 3.732 2.731 4.149 . 0 0 "[ . 1 . 2]" 1
766 1 44 VAL H 1 61 LYS H . . 3.660 3.290 3.094 3.521 . 0 0 "[ . 1 . 2]" 1
767 1 35 GLU HB3 1 36 LYS H . . 4.010 2.706 2.446 3.213 . 0 0 "[ . 1 . 2]" 1
768 1 58 PHE HB3 1 59 LEU H . . 3.650 3.339 3.136 3.500 . 0 0 "[ . 1 . 2]" 1
769 1 77 PHE HB2 1 78 ALA H . . 3.650 2.559 2.551 2.599 . 0 0 "[ . 1 . 2]" 1
770 1 18 LEU HA 1 86 LEU H . . 3.650 2.148 1.974 2.425 . 0 0 "[ . 1 . 2]" 1
771 1 48 VAL H 1 58 PHE HA . . 3.650 2.926 2.458 3.120 . 0 0 "[ . 1 . 2]" 1
772 1 28 THR H 1 28 THR MG . . 3.870 3.768 3.766 3.770 . 0 0 "[ . 1 . 2]" 1
773 1 76 LEU H 1 76 LEU HB2 . . 3.640 2.188 2.096 2.255 . 0 0 "[ . 1 . 2]" 1
774 1 27 GLU QB 1 28 THR H . . 3.640 2.864 2.549 3.377 . 0 0 "[ . 1 . 2]" 1
775 1 34 GLU HA 1 38 PHE H . . 4.320 4.272 3.959 4.322 0.002 19 0 "[ . 1 . 2]" 1
776 1 28 THR MG 1 29 LEU H . . 3.630 3.498 3.377 3.563 . 0 0 "[ . 1 . 2]" 1
777 1 33 LEU H 1 33 LEU HB3 . . 3.630 3.548 3.532 3.564 . 0 0 "[ . 1 . 2]" 1
778 1 88 SER H 1 88 SER HB3 . . 4.110 3.455 2.945 3.963 . 0 0 "[ . 1 . 2]" 1
779 1 76 LEU H 1 76 LEU MD2 . . 4.300 4.166 3.823 4.327 0.027 10 0 "[ . 1 . 2]" 1
780 1 34 GLU HA 1 40 GLY H . . 3.620 3.527 3.396 3.622 0.002 19 0 "[ . 1 . 2]" 1
781 1 57 GLU QB 1 58 PHE H . . 3.610 3.382 2.837 3.615 0.005 20 0 "[ . 1 . 2]" 1
782 1 21 GLU HB2 1 23 ASN H . . 4.020 3.302 2.356 3.662 . 0 0 "[ . 1 . 2]" 1
783 1 49 GLN H 1 49 GLN QG . . 4.050 3.912 3.758 4.043 . 0 0 "[ . 1 . 2]" 1
784 1 24 VAL H 1 24 VAL MG1 . . 3.820 3.768 3.761 3.799 . 0 0 "[ . 1 . 2]" 1
785 1 19 ARG H 1 19 ARG QG . . 4.930 3.849 3.213 4.056 . 0 0 "[ . 1 . 2]" 1
786 1 25 GLU HB2 1 27 GLU H . . 3.810 3.703 3.593 3.809 . 0 0 "[ . 1 . 2]" 1
787 1 71 LEU HB3 1 72 GLU H . . 3.690 2.991 2.693 3.099 . 0 0 "[ . 1 . 2]" 1
788 1 8 ILE H 1 8 ILE HG12 . . 4.030 2.826 1.989 4.008 . 0 0 "[ . 1 . 2]" 1
789 1 71 LEU H 1 71 LEU MD2 . . 4.900 4.106 4.065 4.162 . 0 0 "[ . 1 . 2]" 1
790 1 59 LEU H 1 59 LEU MD1 . . 4.770 4.208 3.911 4.241 . 0 0 "[ . 1 . 2]" 1
791 1 59 LEU H 1 60 VAL MG2 . . 5.150 4.289 4.192 4.427 . 0 0 "[ . 1 . 2]" 1
792 1 58 PHE H 1 58 PHE HB2 . . 3.560 2.627 2.463 2.829 . 0 0 "[ . 1 . 2]" 1
793 1 46 THR H 1 60 VAL HA . . 4.170 3.380 3.232 3.558 . 0 0 "[ . 1 . 2]" 1
794 1 66 SER H 1 69 ARG HB2 . . 3.560 2.722 2.536 2.882 . 0 0 "[ . 1 . 2]" 1
795 1 61 LYS H 1 61 LYS HB2 . . 3.550 2.527 2.377 2.758 . 0 0 "[ . 1 . 2]" 1
796 1 26 VAL H 1 26 VAL MG1 . . 3.770 3.764 3.757 3.766 . 0 0 "[ . 1 . 2]" 1
797 1 69 ARG H 1 69 ARG HG2 . . 3.550 2.319 2.057 3.776 0.226 17 0 "[ . 1 . 2]" 1
798 1 77 PHE H 1 77 PHE HB2 . . 3.550 2.197 2.188 2.250 . 0 0 "[ . 1 . 2]" 1
799 1 11 THR H 1 11 THR HB . . 3.550 3.018 2.583 3.518 . 0 0 "[ . 1 . 2]" 1
800 1 61 LYS H 1 61 LYS HB3 . . 3.540 2.810 2.625 2.904 . 0 0 "[ . 1 . 2]" 1
801 1 76 LEU HB3 1 77 PHE H . . 3.820 2.777 2.341 3.224 . 0 0 "[ . 1 . 2]" 1
802 1 23 ASN H 1 23 ASN HB3 . . 3.540 2.950 2.284 3.533 . 0 0 "[ . 1 . 2]" 1
803 1 46 THR HB 1 47 GLN H . . 3.760 3.577 2.815 3.761 0.001 16 0 "[ . 1 . 2]" 1
804 1 85 VAL MG1 1 86 LEU H . . 3.540 2.785 2.167 3.192 . 0 0 "[ . 1 . 2]" 1
805 1 21 GLU HB3 1 23 ASN H . . 4.020 2.524 2.157 4.034 0.014 3 0 "[ . 1 . 2]" 1
806 1 22 PRO QB 1 23 ASN H . . 4.320 3.488 3.348 3.579 . 0 0 "[ . 1 . 2]" 1
807 1 78 ALA HA 1 83 ALA H . . 3.530 1.986 1.956 2.030 . 0 0 "[ . 1 . 2]" 1
808 1 8 ILE MG 1 9 ASP H . . 3.750 2.808 2.006 3.725 . 0 0 "[ . 1 . 2]" 1
809 1 50 ALA MB 1 57 GLU H . . 3.560 2.509 2.242 3.149 . 0 0 "[ . 1 . 2]" 1
810 1 25 GLU H 1 28 THR H . . 3.530 3.233 3.071 3.367 . 0 0 "[ . 1 . 2]" 1
811 1 52 THR MG 1 55 TYR H . . 3.530 2.381 2.135 2.620 . 0 0 "[ . 1 . 2]" 1
812 1 27 GLU HA 1 30 ARG H . . 3.960 3.740 3.655 3.794 . 0 0 "[ . 1 . 2]" 1
813 1 74 GLU HB2 1 75 ARG H . . 3.520 2.513 2.392 2.678 . 0 0 "[ . 1 . 2]" 1
814 1 25 GLU HB3 1 27 GLU H . . 3.520 2.880 2.700 2.967 . 0 0 "[ . 1 . 2]" 1
815 1 81 LEU H 1 81 LEU HB3 . . 3.510 2.934 2.825 3.033 . 0 0 "[ . 1 . 2]" 1
816 1 19 ARG H 1 84 THR H . . 3.500 2.656 2.473 2.785 . 0 0 "[ . 1 . 2]" 1
817 1 88 SER HB2 1 89 GLU H . . 4.120 2.922 2.522 3.939 . 0 0 "[ . 1 . 2]" 1
818 1 34 GLU H 1 34 GLU HG3 . . 4.100 3.165 1.946 3.537 . 0 0 "[ . 1 . 2]" 1
819 1 73 LEU HB3 1 74 GLU H . . 4.000 2.368 2.332 2.623 . 0 0 "[ . 1 . 2]" 1
820 1 20 ALA H 1 56 ARG H . . 3.490 3.123 2.748 3.490 0.000 11 0 "[ . 1 . 2]" 1
821 1 46 THR H 1 46 THR HB . . 3.480 3.073 2.852 3.451 . 0 0 "[ . 1 . 2]" 1
822 1 65 LEU MD2 1 66 SER H . . 3.700 3.548 3.489 3.684 . 0 0 "[ . 1 . 2]" 1
823 1 26 VAL MG1 1 27 GLU H . . 3.480 3.346 3.243 3.471 . 0 0 "[ . 1 . 2]" 1
824 1 46 THR MG 1 47 GLN H . . 3.480 2.446 2.059 3.030 . 0 0 "[ . 1 . 2]" 1
825 1 10 PHE H 1 10 PHE HB2 . . 3.840 2.838 2.190 3.730 . 0 0 "[ . 1 . 2]" 1
826 1 69 ARG H 1 69 ARG HG3 . . 3.690 3.541 3.363 3.784 0.094 17 0 "[ . 1 . 2]" 1
827 1 65 LEU HB2 1 66 SER H . . 3.700 2.872 2.747 2.923 . 0 0 "[ . 1 . 2]" 1
828 1 30 ARG HB3 1 31 ARG H . . 3.900 3.902 3.870 3.923 0.023 9 0 "[ . 1 . 2]" 1
829 1 18 LEU H 1 18 LEU HB3 . . 3.470 2.961 2.921 3.016 . 0 0 "[ . 1 . 2]" 1
830 1 70 ARG HB3 1 71 LEU H . . 3.470 3.349 3.044 3.475 0.005 19 0 "[ . 1 . 2]" 1
831 1 75 ARG H 1 75 ARG HG3 . . 3.850 3.051 2.446 3.806 . 0 0 "[ . 1 . 2]" 1
832 1 55 TYR H 1 55 TYR QB . . 3.450 2.634 2.548 2.707 . 0 0 "[ . 1 . 2]" 1
833 1 38 PHE H 1 38 PHE QD . . 3.450 2.379 2.314 2.467 . 0 0 "[ . 1 . 2]" 1
834 1 17 THR HB 1 87 ALA H . . 3.450 2.347 2.167 2.492 . 0 0 "[ . 1 . 2]" 1
835 1 91 VAL MG1 1 92 GLY H . . 3.450 3.003 2.647 3.315 . 0 0 "[ . 1 . 2]" 1
836 1 48 VAL MG1 1 49 GLN H . . 3.450 3.020 2.391 3.383 . 0 0 "[ . 1 . 2]" 1
837 1 21 GLU H 1 21 GLU HB2 . . 3.650 2.424 2.141 3.579 . 0 0 "[ . 1 . 2]" 1
838 1 77 PHE HB3 1 78 ALA H . . 3.650 2.953 2.920 3.176 . 0 0 "[ . 1 . 2]" 1
839 1 17 THR H 1 87 ALA H . . 3.650 3.493 3.381 3.627 . 0 0 "[ . 1 . 2]" 1
840 1 89 GLU H 1 89 GLU QG . . 3.420 2.673 2.203 3.361 . 0 0 "[ . 1 . 2]" 1
841 1 59 LEU H 1 59 LEU HB3 . . 3.420 2.809 2.486 2.863 . 0 0 "[ . 1 . 2]" 1
842 1 18 LEU H 1 58 PHE H . . 3.410 3.290 2.951 3.412 0.002 20 0 "[ . 1 . 2]" 1
843 1 9 ASP HA 1 10 PHE H . . 3.410 2.749 2.139 3.435 0.025 14 0 "[ . 1 . 2]" 1
844 1 32 PHE HB2 1 33 LEU H . . 3.920 3.758 3.626 3.854 . 0 0 "[ . 1 . 2]" 1
845 1 23 ASN H 1 23 ASN HB2 . . 3.540 2.468 2.202 3.575 0.035 10 0 "[ . 1 . 2]" 1
846 1 50 ALA MB 1 52 THR H . . 3.820 3.843 3.787 3.850 0.030 11 0 "[ . 1 . 2]" 1
847 1 25 GLU H 1 25 GLU HB2 . . 3.390 2.500 2.396 2.656 . 0 0 "[ . 1 . 2]" 1
848 1 59 LEU H 1 59 LEU HB2 . . 3.380 2.552 2.451 2.889 . 0 0 "[ . 1 . 2]" 1
849 1 21 GLU H 1 24 VAL MG2 . . 3.380 3.310 3.051 3.388 0.008 12 0 "[ . 1 . 2]" 1
850 1 32 PHE H 1 33 LEU H . . 3.380 2.559 2.526 2.584 . 0 0 "[ . 1 . 2]" 1
851 1 71 LEU H 1 71 LEU HB2 . . 3.360 2.049 2.040 2.057 . 0 0 "[ . 1 . 2]" 1
852 1 54 ALA HA 1 55 TYR H . . 3.570 3.512 3.507 3.516 . 0 0 "[ . 1 . 2]" 1
853 1 62 LEU H 1 62 LEU HB2 . . 3.350 2.943 2.925 2.961 . 0 0 "[ . 1 . 2]" 1
854 1 36 LYS H 1 36 LYS HG3 . . 3.820 3.624 2.638 3.819 . 0 0 "[ . 1 . 2]" 1
855 1 65 LEU H 1 65 LEU HB3 . . 3.800 3.728 3.692 3.776 . 0 0 "[ . 1 . 2]" 1
856 1 42 GLU H 1 42 GLU HG2 . . 3.700 2.354 1.952 2.935 . 0 0 "[ . 1 . 2]" 1
857 1 30 ARG H 1 31 ARG H . . 3.340 2.631 2.605 2.676 . 0 0 "[ . 1 . 2]" 1
858 1 14 THR H 1 14 THR HB . . 3.340 2.765 2.635 2.910 . 0 0 "[ . 1 . 2]" 1
859 1 43 ALA MB 1 44 VAL H . . 3.340 2.239 2.093 2.354 . 0 0 "[ . 1 . 2]" 1
860 1 81 LEU H 1 81 LEU HB2 . . 3.510 2.166 2.108 2.242 . 0 0 "[ . 1 . 2]" 1
861 1 44 VAL H 1 44 VAL HB . . 3.330 2.775 2.724 2.781 . 0 0 "[ . 1 . 2]" 1
862 1 7 SER H 1 7 SER QB . . 3.330 2.816 2.330 3.311 . 0 0 "[ . 1 . 2]" 1
863 1 67 ASP H 1 68 GLU H . . 3.330 2.852 2.676 2.903 . 0 0 "[ . 1 . 2]" 1
864 1 52 THR HA 1 53 ALA H . . 3.310 2.200 2.185 2.216 . 0 0 "[ . 1 . 2]" 1
865 1 13 GLY HA2 1 14 THR H . . 3.310 2.309 2.172 2.552 . 0 0 "[ . 1 . 2]" 1
866 1 60 VAL MG1 1 61 LYS H . . 3.360 2.586 2.196 2.825 . 0 0 "[ . 1 . 2]" 1
867 1 24 VAL MG1 1 25 GLU H . . 3.290 2.518 2.145 2.787 . 0 0 "[ . 1 . 2]" 1
868 1 35 GLU HB2 1 36 LYS H . . 4.010 3.438 2.660 3.890 . 0 0 "[ . 1 . 2]" 1
869 1 45 ILE H 1 45 ILE HB . . 3.280 2.571 2.505 2.780 . 0 0 "[ . 1 . 2]" 1
870 1 60 VAL H 1 60 VAL HB . . 3.280 2.631 2.622 2.653 . 0 0 "[ . 1 . 2]" 1
871 1 17 THR H 1 17 THR HB . . 3.280 2.836 2.701 2.929 . 0 0 "[ . 1 . 2]" 1
872 1 73 LEU H 1 74 GLU H . . 3.280 2.750 2.619 2.825 . 0 0 "[ . 1 . 2]" 1
873 1 52 THR H 1 52 THR MG . . 3.280 2.589 2.483 2.733 . 0 0 "[ . 1 . 2]" 1
874 1 21 GLU H 1 21 GLU HG3 . . 3.680 3.017 2.597 3.615 . 0 0 "[ . 1 . 2]" 1
875 1 9 ASP H 1 9 ASP HB3 . . 3.270 3.001 2.509 3.345 0.075 14 0 "[ . 1 . 2]" 1
876 1 21 GLU H 1 21 GLU HG2 . . 3.680 3.445 1.964 3.701 0.021 9 0 "[ . 1 . 2]" 1
877 1 77 PHE H 1 77 PHE HB3 . . 3.550 3.502 3.496 3.533 . 0 0 "[ . 1 . 2]" 1
878 1 86 LEU H 1 86 LEU HG . . 3.270 3.015 2.216 3.270 0.000 9 0 "[ . 1 . 2]" 1
879 1 74 GLU H 1 74 GLU HB2 . . 3.270 2.360 2.197 2.590 . 0 0 "[ . 1 . 2]" 1
880 1 25 GLU H 1 28 THR HB . . 3.270 2.280 2.015 2.451 . 0 0 "[ . 1 . 2]" 1
881 1 80 GLU H 1 80 GLU HG2 . . 4.250 3.047 2.156 4.097 . 0 0 "[ . 1 . 2]" 1
882 1 53 ALA H 1 53 ALA MB . . 3.260 2.308 2.235 2.355 . 0 0 "[ . 1 . 2]" 1
883 1 65 LEU H 1 65 LEU HG . . 3.260 2.603 2.472 2.774 . 0 0 "[ . 1 . 2]" 1
884 1 13 GLY HA3 1 14 THR H . . 3.310 2.864 2.570 3.091 . 0 0 "[ . 1 . 2]" 1
885 1 74 GLU H 1 75 ARG H . . 3.260 2.816 2.777 2.834 . 0 0 "[ . 1 . 2]" 1
886 1 14 THR MG 1 15 ALA H . . 3.250 3.007 2.795 3.154 . 0 0 "[ . 1 . 2]" 1
887 1 15 ALA H 1 89 GLU H . . 3.240 3.227 3.150 3.244 0.004 8 0 "[ . 1 . 2]" 1
888 1 68 GLU H 1 68 GLU QG . . 3.240 2.055 1.940 2.266 . 0 0 "[ . 1 . 2]" 1
889 1 26 VAL H 1 27 GLU H . . 3.230 2.879 2.828 2.901 . 0 0 "[ . 1 . 2]" 1
890 1 9 ASP H 1 9 ASP HB2 . . 3.270 2.978 2.228 3.512 0.242 13 0 "[ . 1 . 2]" 1
891 1 71 LEU H 1 72 GLU H . . 3.230 2.685 2.577 2.830 . 0 0 "[ . 1 . 2]" 1
892 1 68 GLU H 1 68 GLU HB2 . . 3.630 2.651 2.502 3.586 . 0 0 "[ . 1 . 2]" 1
893 1 90 THR MG 1 91 VAL H . . 3.220 2.086 1.925 2.374 . 0 0 "[ . 1 . 2]" 1
894 1 48 VAL H 1 48 VAL HB . . 3.220 2.758 2.616 2.866 . 0 0 "[ . 1 . 2]" 1
895 1 31 ARG QB 1 32 PHE H . . 3.620 2.954 2.571 3.477 . 0 0 "[ . 1 . 2]" 1
896 1 25 GLU HB2 1 28 THR H . . 3.620 3.405 3.196 3.536 . 0 0 "[ . 1 . 2]" 1
897 1 85 VAL MG1 1 87 ALA H . . 3.210 3.047 2.778 3.211 0.001 18 0 "[ . 1 . 2]" 1
898 1 57 GLU H 1 57 GLU QB . . 3.210 2.267 2.170 2.348 . 0 0 "[ . 1 . 2]" 1
899 1 41 LYS H 1 42 GLU H . . 3.210 2.714 2.498 2.906 . 0 0 "[ . 1 . 2]" 1
900 1 49 GLN H 1 49 GLN HB3 . . 3.210 2.760 2.367 3.056 . 0 0 "[ . 1 . 2]" 1
901 1 68 GLU HB2 1 69 ARG H . . 4.510 2.616 2.336 3.712 . 0 0 "[ . 1 . 2]" 1
902 1 69 ARG H 1 69 ARG HB3 . . 4.160 3.583 3.551 3.593 . 0 0 "[ . 1 . 2]" 1
903 1 76 LEU H 1 77 PHE H . . 3.200 2.820 2.711 2.847 . 0 0 "[ . 1 . 2]" 1
904 1 73 LEU H 1 73 LEU HB2 . . 3.200 2.437 2.384 2.489 . 0 0 "[ . 1 . 2]" 1
905 1 70 ARG H 1 71 LEU H . . 3.190 2.865 2.775 2.911 . 0 0 "[ . 1 . 2]" 1
906 1 30 ARG HG2 1 31 ARG H . . 3.190 2.421 2.273 2.543 . 0 0 "[ . 1 . 2]" 1
907 1 91 VAL H 1 91 VAL HB . . 3.190 2.629 2.506 2.840 . 0 0 "[ . 1 . 2]" 1
908 1 43 ALA HA 1 44 VAL H . . 3.190 2.491 2.419 2.614 . 0 0 "[ . 1 . 2]" 1
909 1 44 VAL H 1 44 VAL MG2 . . 3.190 2.726 2.633 2.805 . 0 0 "[ . 1 . 2]" 1
910 1 77 PHE H 1 78 ALA H . . 3.190 2.835 2.633 2.861 . 0 0 "[ . 1 . 2]" 1
911 1 17 THR MG 1 18 LEU H . . 3.180 3.014 2.844 3.133 . 0 0 "[ . 1 . 2]" 1
912 1 72 GLU H 1 73 LEU H . . 3.180 2.704 2.651 2.775 . 0 0 "[ . 1 . 2]" 1
913 1 53 ALA HA 1 54 ALA H . . 3.180 2.955 2.824 2.997 . 0 0 "[ . 1 . 2]" 1
914 1 82 LYS HA 1 83 ALA H . . 3.170 3.006 2.994 3.016 . 0 0 "[ . 1 . 2]" 1
915 1 73 LEU H 1 73 LEU HB3 . . 3.200 2.577 2.516 2.628 . 0 0 "[ . 1 . 2]" 1
916 1 33 LEU H 1 33 LEU HB2 . . 3.160 2.298 2.253 2.350 . 0 0 "[ . 1 . 2]" 1
917 1 87 ALA H 1 87 ALA MB . . 3.160 2.739 2.583 2.860 . 0 0 "[ . 1 . 2]" 1
918 1 33 LEU H 1 33 LEU HG . . 3.150 2.616 2.509 2.719 . 0 0 "[ . 1 . 2]" 1
919 1 83 ALA HA 1 84 THR H . . 3.150 2.571 2.518 2.599 . 0 0 "[ . 1 . 2]" 1
920 1 19 ARG H 1 19 ARG QB . . 3.150 2.288 2.155 2.412 . 0 0 "[ . 1 . 2]" 1
921 1 75 ARG H 1 76 LEU H . . 3.140 2.812 2.588 2.850 . 0 0 "[ . 1 . 2]" 1
922 1 25 GLU HB3 1 26 VAL H . . 3.140 2.132 2.064 2.239 . 0 0 "[ . 1 . 2]" 1
923 1 8 ILE H 1 8 ILE HB . . 3.930 3.128 2.567 3.921 . 0 0 "[ . 1 . 2]" 1
924 1 48 VAL H 1 48 VAL MG2 . . 3.140 2.930 2.777 3.028 . 0 0 "[ . 1 . 2]" 1
925 1 68 GLU H 1 69 ARG H . . 3.130 2.721 2.653 2.809 . 0 0 "[ . 1 . 2]" 1
926 1 91 VAL H 1 91 VAL MG2 . . 3.130 2.428 2.154 2.718 . 0 0 "[ . 1 . 2]" 1
927 1 47 GLN HA 1 48 VAL H . . 3.130 2.206 2.139 2.232 . 0 0 "[ . 1 . 2]" 1
928 1 84 THR H 1 84 THR HB . . 3.120 2.866 2.752 3.021 . 0 0 "[ . 1 . 2]" 1
929 1 26 VAL HB 1 27 GLU H . . 3.120 2.442 2.401 2.592 . 0 0 "[ . 1 . 2]" 1
930 1 54 ALA MB 1 55 TYR H . . 3.120 2.727 2.660 2.820 . 0 0 "[ . 1 . 2]" 1
931 1 79 SER H 1 79 SER QB . . 3.110 2.230 2.106 2.657 . 0 0 "[ . 1 . 2]" 1
932 1 69 ARG HB2 1 70 ARG H . . 3.110 2.321 2.225 2.493 . 0 0 "[ . 1 . 2]" 1
933 1 40 GLY H 1 41 LYS H . . 3.100 2.075 1.911 2.255 . 0 0 "[ . 1 . 2]" 1
934 1 28 THR HB 1 29 LEU H . . 3.100 2.664 2.520 2.786 . 0 0 "[ . 1 . 2]" 1
935 1 70 ARG HB2 1 71 LEU H . . 3.470 2.468 2.319 2.657 . 0 0 "[ . 1 . 2]" 1
936 1 69 ARG H 1 69 ARG HB2 . . 3.100 2.467 2.303 2.569 . 0 0 "[ . 1 . 2]" 1
937 1 6 TYR HA 1 7 SER H . . 3.090 2.303 2.138 2.961 . 0 0 "[ . 1 . 2]" 1
938 1 15 ALA HA 1 16 TYR H . . 3.090 2.164 2.142 2.230 . 0 0 "[ . 1 . 2]" 1
939 1 49 GLN H 1 49 GLN HB2 . . 3.210 2.369 2.181 2.789 . 0 0 "[ . 1 . 2]" 1
940 1 71 LEU H 1 71 LEU HB3 . . 3.360 3.299 3.259 3.346 . 0 0 "[ . 1 . 2]" 1
941 1 27 GLU H 1 28 THR H . . 3.080 2.801 2.730 2.829 . 0 0 "[ . 1 . 2]" 1
942 1 85 VAL H 1 85 VAL MG1 . . 3.850 3.761 3.756 3.764 . 0 0 "[ . 1 . 2]" 1
943 1 38 PHE H 1 38 PHE QB . . 3.080 2.189 2.178 2.198 . 0 0 "[ . 1 . 2]" 1
944 1 29 LEU H 1 29 LEU HB2 . . 3.210 2.231 2.157 2.328 . 0 0 "[ . 1 . 2]" 1
945 1 29 LEU H 1 29 LEU HG . . 3.590 2.885 2.629 3.104 . 0 0 "[ . 1 . 2]" 1
946 1 83 ALA MB 1 84 THR H . . 3.080 2.070 2.004 2.168 . 0 0 "[ . 1 . 2]" 1
947 1 45 ILE MG 1 46 THR H . . 3.070 2.347 1.985 2.659 . 0 0 "[ . 1 . 2]" 1
948 1 34 GLU H 1 35 GLU H . . 3.070 2.547 2.513 2.589 . 0 0 "[ . 1 . 2]" 1
949 1 25 GLU HA 1 26 VAL H . . 3.070 2.551 2.489 2.586 . 0 0 "[ . 1 . 2]" 1
950 1 68 GLU H 1 68 GLU HB3 . . 3.630 3.541 2.643 3.592 . 0 0 "[ . 1 . 2]" 1
951 1 32 PHE H 1 32 PHE HB2 . . 3.070 2.440 2.305 2.614 . 0 0 "[ . 1 . 2]" 1
952 1 35 GLU H 1 36 LYS H . . 3.070 2.782 2.697 2.837 . 0 0 "[ . 1 . 2]" 1
953 1 32 PHE H 1 32 PHE HB3 . . 3.070 2.665 2.488 2.813 . 0 0 "[ . 1 . 2]" 1
954 1 55 TYR HA 1 56 ARG H . . 3.060 2.439 2.241 2.573 . 0 0 "[ . 1 . 2]" 1
955 1 28 THR H 1 28 THR HB . . 3.060 2.526 2.497 2.601 . 0 0 "[ . 1 . 2]" 1
956 1 44 VAL MG1 1 45 ILE H . . 3.210 2.854 2.157 3.049 . 0 0 "[ . 1 . 2]" 1
957 1 45 ILE H 1 45 ILE HG12 . . 3.930 3.726 3.556 3.930 . 20 0 "[ . 1 . 2]" 1
958 1 85 VAL H 1 85 VAL HB . . 3.050 2.642 2.587 2.687 . 0 0 "[ . 1 . 2]" 1
959 1 29 LEU H 1 30 ARG H . . 3.040 2.716 2.628 2.793 . 0 0 "[ . 1 . 2]" 1
960 1 29 LEU H 1 29 LEU HB3 . . 3.610 3.518 3.475 3.558 . 0 0 "[ . 1 . 2]" 1
961 1 20 ALA H 1 20 ALA MB . . 3.040 2.635 2.465 2.737 . 0 0 "[ . 1 . 2]" 1
962 1 36 LYS H 1 37 GLY H . . 3.030 2.557 2.519 2.600 . 0 0 "[ . 1 . 2]" 1
963 1 82 LYS H 1 83 ALA H . . 3.030 2.680 2.582 2.705 . 0 0 "[ . 1 . 2]" 1
964 1 39 PRO HA 1 40 GLY H . . 3.030 2.289 2.226 2.412 . 0 0 "[ . 1 . 2]" 1
965 1 90 THR HA 1 91 VAL H . . 3.020 2.221 2.159 2.252 . 0 0 "[ . 1 . 2]" 1
966 1 21 GLU H 1 21 GLU HB3 . . 3.650 3.385 2.719 3.587 . 0 0 "[ . 1 . 2]" 1
967 1 51 PRO HA 1 52 THR H . . 3.020 2.468 2.464 2.503 . 0 0 "[ . 1 . 2]" 1
968 1 67 ASP QB 1 68 GLU H . . 3.200 2.721 2.359 3.195 . 0 0 "[ . 1 . 2]" 1
969 1 60 VAL H 1 60 VAL MG2 . . 3.140 2.328 2.168 2.445 . 0 0 "[ . 1 . 2]" 1
970 1 27 GLU H 1 27 GLU QB . . 3.000 2.423 2.131 2.619 . 0 0 "[ . 1 . 2]" 1
971 1 15 ALA H 1 15 ALA MB . . 3.000 2.185 2.158 2.302 . 0 0 "[ . 1 . 2]" 1
972 1 69 ARG H 1 70 ARG H . . 3.000 2.830 2.712 3.004 0.004 17 0 "[ . 1 . 2]" 1
973 1 79 SER H 1 80 GLU H . . 3.000 2.633 2.617 2.690 . 0 0 "[ . 1 . 2]" 1
974 1 78 ALA H 1 79 SER H . . 3.000 2.611 2.602 2.645 . 0 0 "[ . 1 . 2]" 1
975 1 90 THR H 1 90 THR HB . . 3.000 2.877 2.647 2.959 . 0 0 "[ . 1 . 2]" 1
976 1 14 THR HA 1 15 ALA H . . 3.000 2.153 2.144 2.161 . 0 0 "[ . 1 . 2]" 1
977 1 89 GLU HA 1 90 THR H . . 3.000 2.235 2.153 2.315 . 0 0 "[ . 1 . 2]" 1
978 1 11 THR HA 1 12 GLY H . . 2.990 2.353 2.151 2.931 . 0 0 "[ . 1 . 2]" 1
979 1 55 TYR QB 1 56 ARG H . . 2.980 2.399 2.101 2.892 . 0 0 "[ . 1 . 2]" 1
980 1 60 VAL HA 1 61 LYS H . . 2.970 2.147 2.139 2.170 . 0 0 "[ . 1 . 2]" 1
981 1 26 VAL H 1 26 VAL HB . . 2.970 2.614 2.579 2.688 . 0 0 "[ . 1 . 2]" 1
982 1 85 VAL HA 1 86 LEU H . . 2.960 2.153 2.140 2.181 . 0 0 "[ . 1 . 2]" 1
983 1 78 ALA MB 1 79 SER H . . 3.150 3.106 2.910 3.152 0.002 7 0 "[ . 1 . 2]" 1
984 1 75 ARG QB 1 76 LEU H . . 3.080 2.514 2.346 3.244 0.164 18 0 "[ . 1 . 2]" 1
985 1 76 LEU H 1 76 LEU HB3 . . 3.640 3.126 2.782 3.511 . 0 0 "[ . 1 . 2]" 1
986 1 30 ARG H 1 30 ARG HG2 . . 2.940 2.039 1.926 2.269 . 0 0 "[ . 1 . 2]" 1
987 1 86 LEU H 1 87 ALA H . . 2.940 2.317 2.059 2.489 . 0 0 "[ . 1 . 2]" 1
988 1 40 GLY H 1 40 GLY HA3 . . 2.940 2.433 2.368 2.499 . 0 0 "[ . 1 . 2]" 1
989 1 42 GLU H 1 43 ALA H . . 2.940 2.427 2.187 2.582 . 0 0 "[ . 1 . 2]" 1
990 1 31 ARG H 1 32 PHE H . . 3.180 2.661 2.583 2.730 . 0 0 "[ . 1 . 2]" 1
991 1 23 ASN H 1 24 VAL H . . 2.910 2.556 2.395 2.757 . 0 0 "[ . 1 . 2]" 1
992 1 37 GLY H 1 38 PHE H . . 2.910 2.404 2.248 2.434 . 0 0 "[ . 1 . 2]" 1
993 1 54 ALA H 1 55 TYR H . . 2.900 1.899 1.879 1.909 . 0 0 "[ . 1 . 2]" 1
994 1 28 THR H 1 29 LEU H . . 2.890 2.590 2.511 2.662 . 0 0 "[ . 1 . 2]" 1
995 1 83 ALA H 1 83 ALA MB . . 2.890 2.127 2.088 2.192 . 0 0 "[ . 1 . 2]" 1
996 1 80 GLU H 1 81 LEU H . . 2.890 2.489 2.447 2.834 . 0 0 "[ . 1 . 2]" 1
997 1 20 ALA HA 1 21 GLU H . . 2.870 2.453 2.373 2.492 . 0 0 "[ . 1 . 2]" 1
998 1 87 ALA MB 1 88 SER H . . 2.860 2.263 2.126 2.498 . 0 0 "[ . 1 . 2]" 1
999 1 20 ALA MB 1 21 GLU H . . 2.860 2.415 2.207 2.615 . 0 0 "[ . 1 . 2]" 1
1000 1 65 LEU HA 1 66 SER H . . 2.860 2.698 2.680 2.703 . 0 0 "[ . 1 . 2]" 1
1001 1 24 VAL H 1 24 VAL MG2 . . 2.860 2.155 1.979 2.361 . 0 0 "[ . 1 . 2]" 1
1002 1 46 THR HA 1 47 GLN H . . 2.850 2.228 2.172 2.322 . 0 0 "[ . 1 . 2]" 1
1003 1 31 ARG H 1 31 ARG QB . . 2.850 2.210 2.161 2.262 . 0 0 "[ . 1 . 2]" 1
1004 1 24 VAL H 1 24 VAL HB . . 2.840 2.558 2.485 2.642 . 0 0 "[ . 1 . 2]" 1
1005 1 75 ARG H 1 75 ARG QB . . 2.840 2.300 2.167 2.566 . 0 0 "[ . 1 . 2]" 1
1006 1 56 ARG HA 1 57 GLU H . . 2.830 2.352 2.271 2.420 . 0 0 "[ . 1 . 2]" 1
1007 1 61 LYS HA 1 62 LEU H . . 2.830 2.155 2.143 2.160 . 0 0 "[ . 1 . 2]" 1
1008 1 58 PHE HA 1 59 LEU H . . 2.800 2.153 2.140 2.181 . 0 0 "[ . 1 . 2]" 1
1009 1 16 TYR HA 1 17 THR H . . 2.800 2.142 2.137 2.151 . 0 0 "[ . 1 . 2]" 1
1010 1 67 ASP H 1 67 ASP QB . . 2.790 2.482 2.152 2.688 . 0 0 "[ . 1 . 2]" 1
1011 1 26 VAL H 1 26 VAL MG2 . . 2.790 2.062 1.926 2.195 . 0 0 "[ . 1 . 2]" 1
1012 1 57 GLU HA 1 58 PHE H . . 2.790 2.222 2.160 2.297 . 0 0 "[ . 1 . 2]" 1
1013 1 7 SER HA 1 8 ILE H . . 2.780 2.338 2.139 2.835 0.055 4 0 "[ . 1 . 2]" 1
1014 1 82 LYS H 1 82 LYS HA . . 2.770 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 1
1015 1 50 ALA H 1 50 ALA MB . . 2.760 2.197 2.049 2.406 . 0 0 "[ . 1 . 2]" 1
1016 1 24 VAL HA 1 25 GLU H . . 2.750 2.165 2.141 2.263 . 0 0 "[ . 1 . 2]" 1
1017 1 19 ARG HA 1 20 ALA H . . 2.740 2.211 2.150 2.277 . 0 0 "[ . 1 . 2]" 1
1018 1 34 GLU H 1 34 GLU QB . . 2.740 2.525 2.494 2.596 . 0 0 "[ . 1 . 2]" 1
1019 1 45 ILE HA 1 46 THR H . . 2.740 2.178 2.138 2.221 . 0 0 "[ . 1 . 2]" 1
1020 1 48 VAL HA 1 49 GLN H . . 2.730 2.166 2.142 2.239 . 0 0 "[ . 1 . 2]" 1
1021 1 54 ALA H 1 54 ALA MB . . 2.710 2.457 2.378 2.514 . 0 0 "[ . 1 . 2]" 1
1022 1 64 PRO HA 1 65 LEU H . . 2.700 2.193 2.160 2.211 . 0 0 "[ . 1 . 2]" 1
1023 1 84 THR HA 1 85 VAL H . . 2.700 2.151 2.150 2.151 . 0 0 "[ . 1 . 2]" 1
1024 1 8 ILE HA 1 9 ASP H . . 2.700 2.310 2.185 2.621 . 0 0 "[ . 1 . 2]" 1
1025 1 43 ALA H 1 43 ALA MB . . 2.690 2.137 2.027 2.203 . 0 0 "[ . 1 . 2]" 1
1026 1 59 LEU HA 1 60 VAL H . . 2.690 2.161 2.145 2.181 . 0 0 "[ . 1 . 2]" 1
1027 1 17 THR HA 1 18 LEU H . . 2.680 2.148 2.142 2.154 . 0 0 "[ . 1 . 2]" 1
1028 1 18 LEU HA 1 19 ARG H . . 2.680 2.240 2.220 2.334 . 0 0 "[ . 1 . 2]" 1
1029 1 88 SER HA 1 89 GLU H . . 2.670 2.270 2.173 2.403 . 0 0 "[ . 1 . 2]" 1
1030 1 66 SER HA 1 67 ASP H . . 2.660 2.302 2.260 2.485 . 0 0 "[ . 1 . 2]" 1
1031 1 78 ALA H 1 78 ALA MB . . 2.640 2.101 2.032 2.175 . 0 0 "[ . 1 . 2]" 1
1032 1 44 VAL HA 1 45 ILE H . . 2.630 2.150 2.140 2.222 . 0 0 "[ . 1 . 2]" 1
1033 1 91 VAL HA 1 92 GLY H . . 2.570 2.167 2.145 2.213 . 0 0 "[ . 1 . 2]" 1
1034 1 87 ALA HA 1 88 SER H . . 2.530 2.511 2.426 2.545 0.015 8 0 "[ . 1 . 2]" 1
1035 1 49 GLN HA 1 50 ALA H . . 2.490 2.162 2.139 2.195 . 0 0 "[ . 1 . 2]" 1
1036 1 6 TYR H 1 6 TYR QB . . 3.510 2.793 2.242 3.293 . 0 0 "[ . 1 . 2]" 1
1037 1 6 TYR QB 1 7 SER H . . 3.820 3.055 1.934 3.821 0.001 12 0 "[ . 1 . 2]" 1
1038 1 8 ILE H 1 8 ILE QG . . 3.350 2.271 1.945 2.743 . 0 0 "[ . 1 . 2]" 1
1039 1 8 ILE QG 1 9 ASP H . . 4.650 4.037 3.280 4.640 . 0 0 "[ . 1 . 2]" 1
1040 1 9 ASP QB 1 10 PHE H . . 4.350 3.566 2.994 4.037 . 0 0 "[ . 1 . 2]" 1
1041 1 10 PHE H 1 10 PHE QB . . 3.230 2.606 2.168 3.065 . 0 0 "[ . 1 . 2]" 1
1042 1 10 PHE QB 1 11 THR H . . 4.310 3.075 1.943 3.962 . 0 0 "[ . 1 . 2]" 1
1043 1 11 THR MG 1 12 GLY QA . . 4.820 3.622 3.062 4.708 . 0 0 "[ . 1 . 2]" 1
1044 1 12 GLY QA 1 13 GLY H . . 3.130 2.287 2.117 2.623 . 0 0 "[ . 1 . 2]" 1
1045 1 12 GLY QA 1 91 VAL MG1 . . 4.300 2.578 2.064 3.703 . 0 0 "[ . 1 . 2]" 1
1046 1 13 GLY QA 1 63 PRO HA . . 4.220 2.797 2.686 2.955 . 0 0 "[ . 1 . 2]" 1
1047 1 13 GLY QA 1 64 PRO HA . . 5.340 5.244 5.071 5.342 0.002 12 0 "[ . 1 . 2]" 1
1048 1 13 GLY QA 1 64 PRO QD . . 4.370 2.449 2.241 2.579 . 0 0 "[ . 1 . 2]" 1
1049 1 14 THR MG 1 70 ARG QG . . 4.260 3.502 3.005 4.047 . 0 0 "[ . 1 . 2]" 1
1050 1 14 THR MG 1 88 SER QB . . 4.410 3.711 3.444 4.400 . 0 0 "[ . 1 . 2]" 1
1051 1 15 ALA MB 1 89 GLU QB . . 4.190 3.264 2.186 3.960 . 0 0 "[ . 1 . 2]" 1
1052 1 16 TYR QD 1 88 SER QB . . 3.790 2.100 1.912 3.415 . 0 0 "[ . 1 . 2]" 1
1053 1 16 TYR QE 1 88 SER QB . . 4.430 2.549 2.161 3.356 . 0 0 "[ . 1 . 2]" 1
1054 1 17 THR HB 1 86 LEU QB . . 4.010 2.904 2.636 3.120 . 0 0 "[ . 1 . 2]" 1
1055 1 17 THR MG 1 86 LEU QB . . 3.850 2.857 2.569 3.196 . 0 0 "[ . 1 . 2]" 1
1056 1 19 ARG HA 1 19 ARG QD . . 5.050 3.993 3.650 4.224 . 0 0 "[ . 1 . 2]" 1
1057 1 19 ARG HA 1 57 GLU QG . . 5.340 3.717 3.114 4.670 . 0 0 "[ . 1 . 2]" 1
1058 1 19 ARG QD 1 86 LEU MD1 . . 4.800 2.790 1.881 4.177 . 0 0 "[ . 1 . 2]" 1
1059 1 21 GLU H 1 21 GLU QB . . 2.880 2.263 2.121 2.641 . 0 0 "[ . 1 . 2]" 1
1060 1 21 GLU H 1 21 GLU QG . . 3.060 2.740 1.929 3.064 0.004 9 0 "[ . 1 . 2]" 1
1061 1 21 GLU QB 1 22 PRO QB . . 4.980 4.546 4.529 4.616 . 0 0 "[ . 1 . 2]" 1
1062 1 21 GLU QB 1 22 PRO QD . . 3.530 1.988 1.935 2.076 . 0 0 "[ . 1 . 2]" 1
1063 1 21 GLU QB 1 23 ASN H . . 3.370 2.241 2.138 2.461 . 0 0 "[ . 1 . 2]" 1
1064 1 21 GLU QB 1 24 VAL H . . 4.300 3.191 2.939 3.632 . 0 0 "[ . 1 . 2]" 1
1065 1 21 GLU QB 1 24 VAL MG2 . . 3.720 2.943 2.419 3.721 0.001 4 0 "[ . 1 . 2]" 1
1066 1 21 GLU QG 1 22 PRO QD . . 4.400 2.745 2.494 3.793 . 0 0 "[ . 1 . 2]" 1
1067 1 21 GLU QG 1 23 ASN H . . 4.740 4.130 2.856 4.398 . 0 0 "[ . 1 . 2]" 1
1068 1 22 PRO HA 1 56 ARG QG . . 4.010 2.953 2.108 3.992 . 0 0 "[ . 1 . 2]" 1
1069 1 22 PRO HA 1 56 ARG QD . . 4.450 2.916 1.931 4.451 0.001 20 0 "[ . 1 . 2]" 1
1070 1 23 ASN H 1 23 ASN QB . . 3.090 2.233 2.180 2.315 . 0 0 "[ . 1 . 2]" 1
1071 1 26 VAL MG2 1 47 GLN QB . . 4.670 2.919 2.318 4.010 . 0 0 "[ . 1 . 2]" 1
1072 1 26 VAL MG2 1 47 GLN QG . . 4.210 3.588 1.967 4.231 0.021 16 0 "[ . 1 . 2]" 1
1073 1 28 THR H 1 31 ARG QG . . 5.160 4.812 4.412 5.137 . 0 0 "[ . 1 . 2]" 1
1074 1 29 LEU HA 1 32 PHE QB . . 3.710 2.996 2.706 3.262 . 0 0 "[ . 1 . 2]" 1
1075 1 31 ARG H 1 31 ARG QG . . 3.390 2.705 2.581 2.839 . 0 0 "[ . 1 . 2]" 1
1076 1 31 ARG HA 1 31 ARG QG . . 3.560 2.676 2.185 3.298 . 0 0 "[ . 1 . 2]" 1
1077 1 31 ARG QG 1 32 PHE H . . 4.570 3.487 2.210 4.361 . 0 0 "[ . 1 . 2]" 1
1078 1 32 PHE H 1 35 GLU QB . . 5.280 4.428 4.354 4.560 . 0 0 "[ . 1 . 2]" 1
1079 1 32 PHE HA 1 35 GLU QB . . 3.940 2.311 2.123 2.484 . 0 0 "[ . 1 . 2]" 1
1080 1 32 PHE QB 1 33 LEU H . . 3.210 2.566 2.425 2.700 . 0 0 "[ . 1 . 2]" 1
1081 1 32 PHE QB 1 81 LEU MD1 . . 3.970 3.821 3.237 3.926 . 0 0 "[ . 1 . 2]" 1
1082 1 33 LEU MD2 1 73 LEU QB . . 4.660 4.392 4.170 4.663 0.003 18 0 "[ . 1 . 2]" 1
1083 1 34 GLU H 1 34 GLU QG . . 3.310 2.047 1.929 2.118 . 0 0 "[ . 1 . 2]" 1
1084 1 34 GLU HA 1 34 GLU QG . . 3.740 3.353 3.337 3.418 . 0 0 "[ . 1 . 2]" 1
1085 1 34 GLU QG 1 35 GLU H . . 3.170 2.108 2.018 2.147 . 0 0 "[ . 1 . 2]" 1
1086 1 34 GLU QG 1 35 GLU HA . . 4.570 3.402 3.146 4.142 . 0 0 "[ . 1 . 2]" 1
1087 1 35 GLU H 1 35 GLU QB . . 2.660 2.223 2.183 2.248 . 0 0 "[ . 1 . 2]" 1
1088 1 35 GLU HA 1 35 GLU QG . . 3.720 2.698 2.295 3.168 . 0 0 "[ . 1 . 2]" 1
1089 1 35 GLU QB 1 36 LYS H . . 3.390 2.476 2.419 2.562 . 0 0 "[ . 1 . 2]" 1
1090 1 36 LYS H 1 36 LYS QB . . 3.120 2.359 2.228 2.605 . 0 0 "[ . 1 . 2]" 1
1091 1 36 LYS H 1 36 LYS QG . . 3.150 2.392 2.028 2.666 . 0 0 "[ . 1 . 2]" 1
1092 1 36 LYS QB 1 76 LEU MD1 . . 4.140 3.472 2.980 3.840 . 0 0 "[ . 1 . 2]" 1
1093 1 36 LYS QG 1 76 LEU MD2 . . 4.210 3.652 3.113 4.215 0.005 11 0 "[ . 1 . 2]" 1
1094 1 36 LYS QE 1 76 LEU MD2 . . 3.840 2.519 1.945 3.424 . 0 0 "[ . 1 . 2]" 1
1095 1 39 PRO HG2 1 63 PRO QD . . 3.700 2.648 2.419 2.936 . 0 0 "[ . 1 . 2]" 1
1096 1 41 LYS H 1 41 LYS QB . . 3.040 2.480 2.201 2.608 . 0 0 "[ . 1 . 2]" 1
1097 1 41 LYS H 1 41 LYS QG . . 3.620 2.125 1.935 2.719 . 0 0 "[ . 1 . 2]" 1
1098 1 41 LYS QB 1 42 GLU H . . 3.790 2.812 2.312 3.534 . 0 0 "[ . 1 . 2]" 1
1099 1 42 GLU H 1 42 GLU QB . . 3.180 2.587 2.484 2.700 . 0 0 "[ . 1 . 2]" 1
1100 1 42 GLU H 1 42 GLU QG . . 3.110 2.089 1.935 2.257 . 0 0 "[ . 1 . 2]" 1
1101 1 42 GLU QB 1 43 ALA H . . 3.820 3.276 2.620 3.593 . 0 0 "[ . 1 . 2]" 1
1102 1 42 GLU QG 1 43 ALA H . . 4.080 2.713 1.945 3.978 . 0 0 "[ . 1 . 2]" 1
1103 1 45 ILE H 1 45 ILE QG . . 3.300 2.410 2.299 2.630 . 0 0 "[ . 1 . 2]" 1
1104 1 45 ILE QG 1 60 VAL MG1 . . 4.020 2.701 2.348 2.977 . 0 0 "[ . 1 . 2]" 1
1105 1 45 ILE QG 1 60 VAL MG2 . . 4.500 3.323 3.018 3.666 . 0 0 "[ . 1 . 2]" 1
1106 1 47 GLN H 1 47 GLN QB . . 3.210 2.592 2.219 2.850 . 0 0 "[ . 1 . 2]" 1
1107 1 47 GLN H 1 47 GLN QG . . 4.310 2.692 1.940 4.129 . 0 0 "[ . 1 . 2]" 1
1108 1 47 GLN QG 1 48 VAL H . . 4.020 3.635 2.271 4.052 0.032 16 0 "[ . 1 . 2]" 1
1109 1 49 GLN H 1 49 GLN QB . . 2.800 2.208 2.136 2.277 . 0 0 "[ . 1 . 2]" 1
1110 1 49 GLN QB 1 50 ALA H . . 4.000 3.850 3.586 3.979 . 0 0 "[ . 1 . 2]" 1
1111 1 49 GLN QE 1 50 ALA H . . 4.340 4.011 1.951 4.339 . 0 0 "[ . 1 . 2]" 1
1112 1 50 ALA H 1 56 ARG QB . . 4.240 3.350 2.272 3.991 . 0 0 "[ . 1 . 2]" 1
1113 1 50 ALA MB 1 57 GLU QG . . 4.880 3.848 2.648 4.710 . 0 0 "[ . 1 . 2]" 1
1114 1 51 PRO QB 1 52 THR H . . 4.090 3.938 3.935 3.954 . 0 0 "[ . 1 . 2]" 1
1115 1 55 TYR HA 1 56 ARG QB . . 4.960 4.291 4.031 4.580 . 0 0 "[ . 1 . 2]" 1
1116 1 56 ARG H 1 56 ARG QB . . 3.520 2.773 2.399 3.227 . 0 0 "[ . 1 . 2]" 1
1117 1 56 ARG H 1 56 ARG QG . . 3.800 3.052 2.044 3.815 0.015 8 0 "[ . 1 . 2]" 1
1118 1 56 ARG QB 1 56 ARG HE . . 4.410 3.319 1.993 4.293 . 0 0 "[ . 1 . 2]" 1
1119 1 56 ARG QB 1 57 GLU H . . 3.660 2.541 2.367 2.722 . 0 0 "[ . 1 . 2]" 1
1120 1 56 ARG QG 1 57 GLU H . . 4.700 3.880 3.340 4.315 . 0 0 "[ . 1 . 2]" 1
1121 1 57 GLU QG 1 58 PHE H . . 3.660 2.760 2.159 3.594 . 0 0 "[ . 1 . 2]" 1
1122 1 57 GLU QG 1 86 LEU MD1 . . 5.020 2.372 1.834 3.715 . 0 0 "[ . 1 . 2]" 1
1123 1 61 LYS H 1 61 LYS QG . . 4.570 4.036 3.967 4.127 . 0 0 "[ . 1 . 2]" 1
1124 1 61 LYS HA 1 61 LYS QG . . 3.710 2.273 2.176 2.474 . 0 0 "[ . 1 . 2]" 1
1125 1 61 LYS QG 1 62 LEU H . . 3.880 3.280 3.159 3.378 . 0 0 "[ . 1 . 2]" 1
1126 1 61 LYS QG 1 62 LEU HG . . 5.310 5.209 5.089 5.308 . 0 0 "[ . 1 . 2]" 1
1127 1 61 LYS QG 1 62 LEU MD2 . . 5.020 4.855 4.722 5.023 0.003 19 0 "[ . 1 . 2]" 1
1128 1 62 LEU HA 1 63 PRO QD . . 3.300 2.096 2.094 2.100 . 0 0 "[ . 1 . 2]" 1
1129 1 62 LEU HB2 1 63 PRO QD . . 4.090 3.153 3.135 3.172 . 0 0 "[ . 1 . 2]" 1
1130 1 63 PRO HA 1 64 PRO QD . . 3.230 2.120 2.119 2.125 . 0 0 "[ . 1 . 2]" 1
1131 1 63 PRO QB 1 64 PRO QD . . 3.470 2.160 2.145 2.163 . 0 0 "[ . 1 . 2]" 1
1132 1 65 LEU H 1 65 LEU QB . . 3.140 2.598 2.564 2.691 . 0 0 "[ . 1 . 2]" 1
1133 1 65 LEU QB 1 65 LEU MD1 . . 3.260 2.015 1.917 2.088 . 0 0 "[ . 1 . 2]" 1
1134 1 65 LEU QB 1 66 SER H . . 3.180 1.949 1.940 2.012 . 0 0 "[ . 1 . 2]" 1
1135 1 66 SER H 1 66 SER QB . . 3.070 2.338 2.106 2.800 . 0 0 "[ . 1 . 2]" 1
1136 1 66 SER QB 1 67 ASP H . . 3.760 3.102 2.632 3.492 . 0 0 "[ . 1 . 2]" 1
1137 1 66 SER QB 1 68 GLU H . . 3.890 3.268 2.687 3.892 0.002 2 0 "[ . 1 . 2]" 1
1138 1 67 ASP HA 1 70 ARG QB . . 4.090 2.953 2.628 3.140 . 0 0 "[ . 1 . 2]" 1
1139 1 68 GLU H 1 68 GLU QB . . 2.910 2.545 2.457 2.612 . 0 0 "[ . 1 . 2]" 1
1140 1 68 GLU QB 1 69 ARG H . . 3.690 2.560 2.297 3.430 . 0 0 "[ . 1 . 2]" 1
1141 1 69 ARG HA 1 72 GLU QB . . 3.540 2.577 2.358 2.774 . 0 0 "[ . 1 . 2]" 1
1142 1 69 ARG HB2 1 70 ARG QG . . 4.460 3.388 3.071 3.751 . 0 0 "[ . 1 . 2]" 1
1143 1 70 ARG H 1 70 ARG QB . . 3.160 2.395 2.206 2.559 . 0 0 "[ . 1 . 2]" 1
1144 1 70 ARG H 1 70 ARG QG . . 3.880 2.310 1.952 2.702 . 0 0 "[ . 1 . 2]" 1
1145 1 70 ARG QB 1 70 ARG HE . . 4.510 2.886 2.109 4.173 . 0 0 "[ . 1 . 2]" 1
1146 1 70 ARG QB 1 71 LEU H . . 2.890 2.403 2.287 2.571 . 0 0 "[ . 1 . 2]" 1
1147 1 70 ARG QB 1 71 LEU HA . . 4.660 3.821 3.764 3.862 . 0 0 "[ . 1 . 2]" 1
1148 1 71 LEU H 1 71 LEU QB . . 2.850 2.030 2.020 2.039 . 0 0 "[ . 1 . 2]" 1
1149 1 71 LEU H 1 72 GLU QB . . 5.340 4.433 4.353 4.535 . 0 0 "[ . 1 . 2]" 1
1150 1 72 GLU H 1 72 GLU QB . . 2.900 2.235 2.152 2.254 . 0 0 "[ . 1 . 2]" 1
1151 1 72 GLU H 1 72 GLU QG . . 4.500 3.878 2.809 4.060 . 0 0 "[ . 1 . 2]" 1
1152 1 72 GLU QB 1 73 LEU H . . 3.210 2.475 2.406 2.570 . 0 0 "[ . 1 . 2]" 1
1153 1 72 GLU QG 1 76 LEU H . . 5.340 4.330 4.024 5.342 0.002 1 0 "[ . 1 . 2]" 1
1154 1 72 GLU QG 1 76 LEU MD1 . . 3.950 2.925 1.962 3.951 0.001 6 0 "[ . 1 . 2]" 1
1155 1 73 LEU HA 1 76 LEU QB . . 3.980 2.784 2.505 2.952 . 0 0 "[ . 1 . 2]" 1
1156 1 73 LEU QB 1 74 GLU H . . 3.280 2.342 2.308 2.582 . 0 0 "[ . 1 . 2]" 1
1157 1 73 LEU MD1 1 76 LEU QB . . 3.920 3.304 2.967 3.463 . 0 0 "[ . 1 . 2]" 1
1158 1 74 GLU H 1 74 GLU QG . . 3.230 2.473 2.012 3.186 . 0 0 "[ . 1 . 2]" 1
1159 1 74 GLU HA 1 77 PHE QB . . 4.430 2.748 2.667 3.082 . 0 0 "[ . 1 . 2]" 1
1160 1 74 GLU QG 1 85 VAL MG1 . . 4.420 3.692 2.694 4.123 . 0 0 "[ . 1 . 2]" 1
1161 1 74 GLU QG 1 85 VAL MG2 . . 4.050 3.074 2.377 3.531 . 0 0 "[ . 1 . 2]" 1
1162 1 75 ARG H 1 75 ARG QG . . 3.220 2.502 1.915 2.832 . 0 0 "[ . 1 . 2]" 1
1163 1 75 ARG HA 1 75 ARG QG . . 3.710 2.489 2.156 3.338 . 0 0 "[ . 1 . 2]" 1
1164 1 75 ARG QG 1 76 LEU H . . 4.490 3.956 1.936 4.335 . 0 0 "[ . 1 . 2]" 1
1165 1 76 LEU H 1 76 LEU QB . . 3.150 2.140 2.061 2.190 . 0 0 "[ . 1 . 2]" 1
1166 1 76 LEU QB 1 77 PHE H . . 3.260 2.523 2.310 2.624 . 0 0 "[ . 1 . 2]" 1
1167 1 76 LEU MD2 1 80 GLU QB . . 4.330 3.435 2.504 4.315 . 0 0 "[ . 1 . 2]" 1
1168 1 76 LEU MD2 1 80 GLU QG . . 3.930 3.052 2.301 3.900 . 0 0 "[ . 1 . 2]" 1
1169 1 77 PHE H 1 77 PHE QB . . 3.020 2.176 2.167 2.226 . 0 0 "[ . 1 . 2]" 1
1170 1 77 PHE HA 1 81 LEU QB . . 3.720 2.893 2.758 3.003 . 0 0 "[ . 1 . 2]" 1
1171 1 77 PHE QB 1 78 ALA H . . 3.140 2.412 2.401 2.481 . 0 0 "[ . 1 . 2]" 1
1172 1 77 PHE QB 1 83 ALA MB . . 3.590 2.834 2.750 3.070 . 0 0 "[ . 1 . 2]" 1
1173 1 80 GLU H 1 80 GLU QB . . 3.100 2.292 2.180 2.564 . 0 0 "[ . 1 . 2]" 1
1174 1 80 GLU H 1 80 GLU QG . . 3.710 2.844 2.140 3.236 . 0 0 "[ . 1 . 2]" 1
1175 1 80 GLU HA 1 80 GLU QG . . 3.700 2.597 2.298 3.048 . 0 0 "[ . 1 . 2]" 1
1176 1 81 LEU H 1 81 LEU QB . . 3.040 2.111 2.071 2.160 . 0 0 "[ . 1 . 2]" 1
1177 1 81 LEU QB 1 83 ALA H . . 3.620 2.446 2.418 2.595 . 0 0 "[ . 1 . 2]" 1
1178 1 81 LEU QB 1 83 ALA MB . . 4.210 2.567 2.521 2.590 . 0 0 "[ . 1 . 2]" 1
1179 1 82 LYS QB 1 83 ALA H . . 4.310 3.712 3.704 3.726 . 0 0 "[ . 1 . 2]" 1
1180 1 85 VAL MG1 1 88 SER QB . . 3.900 3.319 3.042 3.900 0.000 7 0 "[ . 1 . 2]" 1
1181 1 86 LEU QB 1 86 LEU MD1 . . 3.190 2.078 2.037 2.100 . 0 0 "[ . 1 . 2]" 1
1182 1 86 LEU QB 1 87 ALA H . . 3.590 2.486 2.337 2.653 . 0 0 "[ . 1 . 2]" 1
1183 1 88 SER H 1 88 SER QB . . 3.400 3.222 2.846 3.381 . 0 0 "[ . 1 . 2]" 1
1184 1 88 SER QB 1 89 GLU H . . 3.320 2.799 2.493 3.319 . 0 0 "[ . 1 . 2]" 1
1185 1 89 GLU H 1 89 GLU QB . . 3.560 2.937 2.543 3.238 . 0 0 "[ . 1 . 2]" 1
1186 1 89 GLU QB 1 90 THR H . . 3.520 2.836 2.623 3.163 . 0 0 "[ . 1 . 2]" 1
1187 1 90 THR MG 1 92 GLY QA . . 5.090 3.877 3.507 4.342 . 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 74
_Distance_constraint_stats_list.Viol_count 354
_Distance_constraint_stats_list.Viol_total 131.406
_Distance_constraint_stats_list.Viol_max 0.099
_Distance_constraint_stats_list.Viol_rms 0.0145
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0186
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 14 THR 0.011 0.004 18 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 0.007 0.003 16 0 "[ . 1 . 2]"
1 17 THR 0.023 0.009 8 0 "[ . 1 . 2]"
1 18 LEU 0.152 0.022 16 0 "[ . 1 . 2]"
1 19 ARG 0.025 0.008 19 0 "[ . 1 . 2]"
1 20 ALA 0.136 0.059 9 0 "[ . 1 . 2]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 0.164 0.036 11 0 "[ . 1 . 2]"
1 28 THR 0.323 0.048 19 0 "[ . 1 . 2]"
1 29 LEU 0.285 0.034 12 0 "[ . 1 . 2]"
1 30 ARG 0.377 0.051 20 0 "[ . 1 . 2]"
1 31 ARG 0.584 0.056 12 0 "[ . 1 . 2]"
1 32 PHE 0.430 0.048 19 0 "[ . 1 . 2]"
1 33 LEU 0.285 0.034 12 0 "[ . 1 . 2]"
1 34 GLU 0.377 0.051 20 0 "[ . 1 . 2]"
1 35 GLU 0.420 0.056 12 0 "[ . 1 . 2]"
1 36 LYS 0.107 0.030 11 0 "[ . 1 . 2]"
1 44 VAL 0.123 0.025 16 0 "[ . 1 . 2]"
1 46 THR 0.013 0.004 5 0 "[ . 1 . 2]"
1 48 VAL 0.220 0.072 16 0 "[ . 1 . 2]"
1 56 ARG 0.136 0.059 9 0 "[ . 1 . 2]"
1 57 GLU 0.220 0.072 16 0 "[ . 1 . 2]"
1 58 PHE 0.152 0.022 16 0 "[ . 1 . 2]"
1 59 LEU 0.013 0.004 5 0 "[ . 1 . 2]"
1 60 VAL 0.007 0.003 16 0 "[ . 1 . 2]"
1 61 LYS 0.123 0.025 16 0 "[ . 1 . 2]"
1 62 LEU 0.011 0.004 18 0 "[ . 1 . 2]"
1 67 ASP 0.040 0.014 18 0 "[ . 1 . 2]"
1 68 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ARG 0.006 0.005 19 0 "[ . 1 . 2]"
1 70 ARG 0.100 0.032 19 0 "[ . 1 . 2]"
1 71 LEU 0.100 0.026 18 0 "[ . 1 . 2]"
1 72 GLU 0.054 0.028 19 0 "[ . 1 . 2]"
1 73 LEU 0.160 0.025 19 0 "[ . 1 . 2]"
1 74 GLU 0.338 0.032 19 0 "[ . 1 . 2]"
1 75 ARG 1.516 0.086 19 0 "[ . 1 . 2]"
1 76 LEU 0.590 0.040 18 0 "[ . 1 . 2]"
1 77 PHE 1.692 0.099 11 0 "[ . 1 . 2]"
1 78 ALA 0.238 0.031 19 0 "[ . 1 . 2]"
1 79 SER 1.457 0.086 19 0 "[ . 1 . 2]"
1 80 GLU 0.536 0.040 18 0 "[ . 1 . 2]"
1 81 LEU 1.538 0.099 11 0 "[ . 1 . 2]"
1 84 THR 0.025 0.008 19 0 "[ . 1 . 2]"
1 87 ALA 0.023 0.009 8 0 "[ . 1 . 2]"
1 89 GLU 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 67 ASP O 1 71 LEU H . . 2.000 1.998 1.940 2.014 0.014 18 0 "[ . 1 . 2]" 2
2 1 67 ASP O 1 71 LEU N . . 3.000 2.961 2.888 2.975 . 0 0 "[ . 1 . 2]" 2
3 1 68 GLU O 1 72 GLU H . . 2.000 1.911 1.806 1.999 . 0 0 "[ . 1 . 2]" 2
4 1 68 GLU O 1 72 GLU N . . 3.000 2.780 2.748 2.901 . 0 0 "[ . 1 . 2]" 2
5 1 69 ARG O 1 73 LEU H . . 2.000 1.879 1.799 2.005 0.005 19 0 "[ . 1 . 2]" 2
6 1 69 ARG O 1 73 LEU N . . 3.000 2.832 2.752 2.942 . 0 0 "[ . 1 . 2]" 2
7 1 70 ARG O 1 74 GLU H . . 2.000 1.992 1.868 2.032 0.032 19 0 "[ . 1 . 2]" 2
8 1 70 ARG O 1 74 GLU N . . 3.000 2.956 2.847 2.995 . 0 0 "[ . 1 . 2]" 2
9 1 71 LEU O 1 75 ARG H . . 2.000 1.969 1.862 2.026 0.026 18 0 "[ . 1 . 2]" 2
10 1 71 LEU O 1 75 ARG N . . 3.000 2.912 2.791 3.001 0.001 18 0 "[ . 1 . 2]" 2
11 1 72 GLU O 1 76 LEU H . . 2.000 1.926 1.808 2.028 0.028 19 0 "[ . 1 . 2]" 2
12 1 72 GLU O 1 76 LEU N . . 3.000 2.873 2.748 2.969 . 0 0 "[ . 1 . 2]" 2
13 1 73 LEU O 1 77 PHE H . . 2.000 2.006 1.969 2.025 0.025 19 0 "[ . 1 . 2]" 2
14 1 73 LEU O 1 77 PHE N . . 3.000 2.945 2.916 2.970 . 0 0 "[ . 1 . 2]" 2
15 1 74 GLU O 1 78 ALA H . . 2.000 2.011 2.000 2.031 0.031 19 0 "[ . 1 . 2]" 2
16 1 74 GLU O 1 78 ALA N . . 3.000 2.989 2.968 3.011 0.011 19 0 "[ . 1 . 2]" 2
17 1 75 ARG O 1 79 SER H . . 2.000 2.072 1.983 2.086 0.086 19 0 "[ . 1 . 2]" 2
18 1 75 ARG O 1 79 SER N . . 3.000 2.710 2.681 2.748 . 0 0 "[ . 1 . 2]" 2
19 1 76 LEU O 1 80 GLU H . . 2.000 2.017 1.825 2.040 0.040 18 0 "[ . 1 . 2]" 2
20 1 76 LEU O 1 80 GLU N . . 3.000 2.986 2.776 3.011 0.011 18 0 "[ . 1 . 2]" 2
21 1 77 PHE O 1 81 LEU H . . 2.000 2.077 2.050 2.099 0.099 11 0 "[ . 1 . 2]" 2
22 1 77 PHE O 1 81 LEU N . . 3.000 2.686 2.672 2.692 . 0 0 "[ . 1 . 2]" 2
23 1 26 VAL O 1 30 ARG H . . 2.000 1.903 1.801 1.979 . 0 0 "[ . 1 . 2]" 2
24 1 26 VAL O 1 30 ARG N . . 3.000 2.875 2.780 2.954 . 0 0 "[ . 1 . 2]" 2
25 1 27 GLU O 1 31 ARG H . . 2.000 2.008 1.999 2.036 0.036 11 0 "[ . 1 . 2]" 2
26 1 27 GLU O 1 31 ARG N . . 3.000 2.904 2.836 2.962 . 0 0 "[ . 1 . 2]" 2
27 1 28 THR O 1 32 PHE H . . 2.000 2.016 1.998 2.048 0.048 19 0 "[ . 1 . 2]" 2
28 1 28 THR O 1 32 PHE N . . 3.000 2.890 2.833 2.944 . 0 0 "[ . 1 . 2]" 2
29 1 29 LEU O 1 33 LEU H . . 2.000 2.011 1.970 2.034 0.034 12 0 "[ . 1 . 2]" 2
30 1 29 LEU O 1 33 LEU N . . 3.000 2.931 2.888 2.976 . 0 0 "[ . 1 . 2]" 2
31 1 30 ARG O 1 34 GLU H . . 2.000 2.019 2.001 2.051 0.051 20 0 "[ . 1 . 2]" 2
32 1 30 ARG O 1 34 GLU N . . 3.000 2.982 2.974 2.996 . 0 0 "[ . 1 . 2]" 2
33 1 31 ARG O 1 35 GLU H . . 2.000 2.020 1.990 2.056 0.056 12 0 "[ . 1 . 2]" 2
34 1 31 ARG O 1 35 GLU N . . 3.000 2.876 2.855 2.923 . 0 0 "[ . 1 . 2]" 2
35 1 32 PHE O 1 36 LYS H . . 2.000 2.004 1.982 2.030 0.030 11 0 "[ . 1 . 2]" 2
36 1 32 PHE O 1 36 LYS N . . 3.000 2.962 2.931 3.000 . 0 0 "[ . 1 . 2]" 2
37 1 44 VAL H 1 61 LYS O . . 2.000 2.006 1.995 2.025 0.025 16 0 "[ . 1 . 2]" 2
38 1 44 VAL N 1 61 LYS O . . 3.000 2.952 2.930 2.967 . 0 0 "[ . 1 . 2]" 2
39 1 44 VAL O 1 61 LYS H . . 2.000 1.904 1.808 2.000 0.000 17 0 "[ . 1 . 2]" 2
40 1 44 VAL O 1 61 LYS N . . 3.000 2.751 2.742 2.774 . 0 0 "[ . 1 . 2]" 2
41 1 46 THR H 1 59 LEU O . . 2.000 1.934 1.797 2.004 0.004 5 0 "[ . 1 . 2]" 2
42 1 46 THR N 1 59 LEU O . . 3.000 2.814 2.747 2.955 . 0 0 "[ . 1 . 2]" 2
43 1 46 THR O 1 59 LEU H . . 2.000 1.950 1.825 2.003 0.003 9 0 "[ . 1 . 2]" 2
44 1 46 THR O 1 59 LEU N . . 3.000 2.856 2.786 2.929 . 0 0 "[ . 1 . 2]" 2
45 1 48 VAL H 1 57 GLU O . . 2.000 1.958 1.840 2.023 0.023 16 0 "[ . 1 . 2]" 2
46 1 48 VAL N 1 57 GLU O . . 3.000 2.760 2.726 2.814 . 0 0 "[ . 1 . 2]" 2
47 1 48 VAL O 1 57 GLU H . . 2.000 2.009 1.995 2.072 0.072 16 0 "[ . 1 . 2]" 2
48 1 48 VAL O 1 57 GLU N . . 3.000 2.758 2.744 2.910 . 0 0 "[ . 1 . 2]" 2
49 1 20 ALA O 1 56 ARG H . . 2.000 1.976 1.833 2.059 0.059 9 0 "[ . 1 . 2]" 2
50 1 20 ALA O 1 56 ARG N . . 3.000 2.920 2.780 3.035 0.035 9 0 "[ . 1 . 2]" 2
51 1 20 ALA H 1 56 ARG O . . 2.000 1.925 1.813 2.033 0.033 16 0 "[ . 1 . 2]" 2
52 1 20 ALA N 1 56 ARG O . . 3.000 2.847 2.749 2.975 . 0 0 "[ . 1 . 2]" 2
53 1 18 LEU O 1 58 PHE H . . 2.000 1.988 1.867 2.022 0.022 16 0 "[ . 1 . 2]" 2
54 1 18 LEU O 1 58 PHE N . . 3.000 2.819 2.752 3.001 0.001 16 0 "[ . 1 . 2]" 2
55 1 18 LEU H 1 58 PHE O . . 2.000 2.005 1.998 2.021 0.021 16 0 "[ . 1 . 2]" 2
56 1 18 LEU N 1 58 PHE O . . 3.000 2.951 2.923 2.980 . 0 0 "[ . 1 . 2]" 2
57 1 16 TYR O 1 60 VAL H . . 2.000 1.949 1.812 2.003 0.003 12 0 "[ . 1 . 2]" 2
58 1 16 TYR O 1 60 VAL N . . 3.000 2.898 2.772 2.960 . 0 0 "[ . 1 . 2]" 2
59 1 16 TYR H 1 60 VAL O . . 2.000 1.870 1.799 2.003 0.003 16 0 "[ . 1 . 2]" 2
60 1 16 TYR N 1 60 VAL O . . 3.000 2.813 2.749 2.905 . 0 0 "[ . 1 . 2]" 2
61 1 14 THR O 1 62 LEU H . . 2.000 1.966 1.798 2.004 0.004 18 0 "[ . 1 . 2]" 2
62 1 14 THR O 1 62 LEU N . . 3.000 2.902 2.744 2.942 . 0 0 "[ . 1 . 2]" 2
63 1 14 THR H 1 62 LEU O . . 2.000 1.978 1.958 2.001 0.001 19 0 "[ . 1 . 2]" 2
64 1 14 THR N 1 62 LEU O . . 3.000 2.756 2.749 2.796 . 0 0 "[ . 1 . 2]" 2
65 1 15 ALA O 1 89 GLU H . . 2.000 1.876 1.800 1.954 . 0 0 "[ . 1 . 2]" 2
66 1 15 ALA O 1 89 GLU N . . 3.000 2.808 2.752 2.889 . 0 0 "[ . 1 . 2]" 2
67 1 17 THR H 1 87 ALA O . . 2.000 1.937 1.874 2.000 0.000 9 0 "[ . 1 . 2]" 2
68 1 17 THR N 1 87 ALA O . . 3.000 2.779 2.748 2.826 . 0 0 "[ . 1 . 2]" 2
69 1 17 THR O 1 87 ALA H . . 2.000 1.994 1.966 2.009 0.009 8 0 "[ . 1 . 2]" 2
70 1 17 THR O 1 87 ALA N . . 3.000 2.964 2.934 2.982 . 0 0 "[ . 1 . 2]" 2
71 1 19 ARG H 1 84 THR O . . 2.000 1.934 1.801 2.008 0.008 19 0 "[ . 1 . 2]" 2
72 1 19 ARG N 1 84 THR O . . 3.000 2.906 2.779 2.984 . 0 0 "[ . 1 . 2]" 2
73 1 19 ARG O 1 84 THR H . . 2.000 1.969 1.896 2.005 0.005 8 0 "[ . 1 . 2]" 2
74 1 19 ARG O 1 84 THR N . . 3.000 2.809 2.744 2.874 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 3:31:33 PM GMT (wattos1)