NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451162 |
2roa   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2roa
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 952
_Distance_constraint_stats_list.Viol_count 1555
_Distance_constraint_stats_list.Viol_total 3967.313
_Distance_constraint_stats_list.Viol_max 0.683
_Distance_constraint_stats_list.Viol_rms 0.0454
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.1276
_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 2 ASP 1.272 0.418 14 0 "[ . 1 . 2]"
1 3 ILE 2.293 0.418 14 0 "[ . 1 . 2]"
1 4 LEU 2.495 0.194 8 0 "[ . 1 . 2]"
1 5 SER 2.886 0.261 20 0 "[ . 1 . 2]"
1 6 GLU 3.488 0.261 20 0 "[ . 1 . 2]"
1 7 GLU 0.781 0.331 11 0 "[ . 1 . 2]"
1 8 GLN 1.142 0.176 12 0 "[ . 1 . 2]"
1 9 ILE 5.940 0.277 1 0 "[ . 1 . 2]"
1 10 VAL 1.015 0.331 11 0 "[ . 1 . 2]"
1 11 ASP 0.867 0.189 17 0 "[ . 1 . 2]"
1 12 PHE 12.862 0.458 17 0 "[ . 1 . 2]"
1 13 LYS 1.894 0.458 17 0 "[ . 1 . 2]"
1 14 GLU 4.505 0.347 3 0 "[ . 1 . 2]"
1 15 ALA 1.979 0.464 18 0 "[ . 1 . 2]"
1 16 PHE 4.575 0.242 16 0 "[ . 1 . 2]"
1 17 GLY 0.581 0.088 6 0 "[ . 1 . 2]"
1 18 LEU 14.418 0.464 18 0 "[ . 1 . 2]"
1 19 PHE 30.615 0.389 5 0 "[ . 1 . 2]"
1 20 ASP 10.563 0.386 3 0 "[ . 1 . 2]"
1 21 LYS 5.283 0.524 2 1 "[ + . 1 . 2]"
1 22 ASP 0.136 0.094 8 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASP 4.258 0.297 2 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 4.258 0.297 2 0 "[ . 1 . 2]"
1 27 ILE 8.156 0.278 10 0 "[ . 1 . 2]"
1 28 THR 1.725 0.195 7 0 "[ . 1 . 2]"
1 29 VAL 5.643 0.290 9 0 "[ . 1 . 2]"
1 30 GLU 4.711 0.440 15 0 "[ . 1 . 2]"
1 31 GLU 3.049 0.138 16 0 "[ . 1 . 2]"
1 32 LEU 11.765 0.436 17 0 "[ . 1 . 2]"
1 33 ALA 0.139 0.091 13 0 "[ . 1 . 2]"
1 34 THR 6.452 0.421 14 0 "[ . 1 . 2]"
1 35 VAL 15.392 0.436 17 0 "[ . 1 . 2]"
1 36 ILE 5.464 0.388 13 0 "[ . 1 . 2]"
1 37 ARG 8.205 0.472 5 0 "[ . 1 . 2]"
1 38 SER 7.622 0.472 5 0 "[ . 1 . 2]"
1 39 LEU 11.506 0.439 16 0 "[ . 1 . 2]"
1 40 ASP 3.254 0.439 16 0 "[ . 1 . 2]"
1 41 GLN 1.521 0.388 13 0 "[ . 1 . 2]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PRO 3.653 0.263 15 0 "[ . 1 . 2]"
1 44 THR 7.457 0.390 11 0 "[ . 1 . 2]"
1 45 GLU 7.221 0.402 2 0 "[ . 1 . 2]"
1 46 GLU 11.203 0.549 4 1 "[ +. 1 . 2]"
1 47 GLU 4.700 0.263 15 0 "[ . 1 . 2]"
1 48 LEU 6.502 0.402 2 0 "[ . 1 . 2]"
1 49 GLN 6.189 0.232 5 0 "[ . 1 . 2]"
1 50 ASP 0.140 0.031 17 0 "[ . 1 . 2]"
1 51 MET 5.377 0.314 2 0 "[ . 1 . 2]"
1 52 ILE 7.086 0.344 5 0 "[ . 1 . 2]"
1 53 SER 0.411 0.232 5 0 "[ . 1 . 2]"
1 54 GLU 3.133 0.206 2 0 "[ . 1 . 2]"
1 55 VAL 12.618 0.683 4 2 "[ +. 1 .- 2]"
1 56 ASP 4.843 0.683 4 2 "[ +. 1 .- 2]"
1 57 ALA 5.585 0.427 1 0 "[ . 1 . 2]"
1 58 ASP 2.132 0.242 8 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 THR 5.202 0.290 9 0 "[ . 1 . 2]"
1 63 ILE 5.150 0.344 5 0 "[ . 1 . 2]"
1 64 GLU 0.334 0.180 20 0 "[ . 1 . 2]"
1 65 PHE 4.346 0.277 1 0 "[ . 1 . 2]"
1 66 ASP 0.399 0.188 19 0 "[ . 1 . 2]"
1 67 GLU 0.534 0.104 15 0 "[ . 1 . 2]"
1 68 PHE 2.823 0.111 4 0 "[ . 1 . 2]"
1 69 LEU 3.636 0.264 7 0 "[ . 1 . 2]"
1 70 SER 1.408 0.168 9 0 "[ . 1 . 2]"
1 71 LEU 10.841 0.643 16 1 "[ . 1 .+ 2]"
1 72 MET 7.450 0.265 14 0 "[ . 1 . 2]"
1 73 ALA 4.579 0.280 13 0 "[ . 1 . 2]"
1 74 LYS 6.759 0.643 16 1 "[ . 1 .+ 2]"
1 75 LYS 1.629 0.246 14 0 "[ . 1 . 2]"
1 76 VAL 4.069 0.225 19 0 "[ . 1 . 2]"
1 77 LYS 2.181 0.223 7 0 "[ . 1 . 2]"
1 78 ASP 0.504 0.043 3 0 "[ . 1 . 2]"
1 79 THR 0.913 0.225 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASP HA 1 3 ILE H 3.090 . 3.090 2.703 2.171 3.508 0.418 14 0 "[ . 1 . 2]" 1
2 1 3 ILE HA 1 3 ILE MD 4.420 . 4.420 3.325 2.071 4.141 . 0 0 "[ . 1 . 2]" 1
3 1 3 ILE HB 1 4 LEU H 4.350 . 4.350 3.512 1.838 4.406 0.056 3 0 "[ . 1 . 2]" 1
4 1 3 ILE H 1 3 ILE HB 3.930 . 3.930 3.268 2.455 3.703 . 0 0 "[ . 1 . 2]" 1
5 1 3 ILE H 1 3 ILE MD 4.940 . 4.940 3.292 1.736 4.776 . 0 0 "[ . 1 . 2]" 1
6 1 3 ILE H 1 3 ILE HG13 4.680 . 4.680 3.310 2.038 4.689 0.009 18 0 "[ . 1 . 2]" 1
7 1 3 ILE H 1 3 ILE HG12 4.680 . 4.680 3.210 1.851 5.091 0.411 9 0 "[ . 1 . 2]" 1
8 1 3 ILE H 1 3 ILE MG 4.480 . 4.480 3.351 2.084 4.030 . 0 0 "[ . 1 . 2]" 1
9 1 3 ILE QG 1 4 LEU H 4.660 . 4.660 3.795 1.758 4.854 0.194 8 0 "[ . 1 . 2]" 1
10 1 3 ILE QG 1 3 ILE MG 2.720 . 2.720 2.249 2.084 2.506 . 0 0 "[ . 1 . 2]" 1
11 1 3 ILE HG13 1 3 ILE MG 3.580 . 3.580 2.851 2.238 3.206 . 0 0 "[ . 1 . 2]" 1
12 1 3 ILE HG12 1 3 ILE MG 3.580 . 3.580 2.560 2.200 3.196 . 0 0 "[ . 1 . 2]" 1
13 1 3 ILE MG 1 4 LEU H 4.570 . 4.570 3.233 1.689 4.404 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU HA 1 4 LEU QD 3.830 . 3.830 2.280 1.975 3.297 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU HA 1 4 LEU MD1 4.450 . 4.450 3.305 2.069 4.161 . 0 0 "[ . 1 . 2]" 1
16 1 4 LEU HA 1 4 LEU MD2 4.450 . 4.450 2.698 2.114 3.809 . 0 0 "[ . 1 . 2]" 1
17 1 4 LEU HA 1 5 SER H 3.420 . 3.420 3.484 3.344 3.555 0.135 10 0 "[ . 1 . 2]" 1
18 1 4 LEU HG 1 5 SER H 5.390 . 5.390 4.387 2.053 5.240 . 0 0 "[ . 1 . 2]" 1
19 1 4 LEU H 1 4 LEU HG 4.560 . 4.560 3.062 1.809 4.460 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU H 1 4 LEU QB 3.630 . 3.630 2.370 2.152 2.877 . 0 0 "[ . 1 . 2]" 1
21 1 4 LEU H 1 4 LEU QD 4.580 . 4.580 2.765 1.644 3.777 . 0 0 "[ . 1 . 2]" 1
22 1 4 LEU H 1 4 LEU MD1 5.240 . 5.240 3.427 1.928 4.239 . 0 0 "[ . 1 . 2]" 1
23 1 4 LEU H 1 4 LEU MD2 5.240 . 5.240 3.319 1.646 4.355 . 0 0 "[ . 1 . 2]" 1
24 1 4 LEU QB 1 5 SER HA 5.340 . 5.340 4.321 3.867 5.028 . 0 0 "[ . 1 . 2]" 1
25 1 4 LEU QB 1 5 SER H 4.100 . 4.100 2.802 2.288 3.580 . 0 0 "[ . 1 . 2]" 1
26 1 4 LEU HB3 1 5 SER H 4.850 . 4.850 3.554 2.731 4.104 . 0 0 "[ . 1 . 2]" 1
27 1 4 LEU HB2 1 5 SER H 4.850 . 4.850 3.089 2.326 4.281 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU QD 1 5 SER HA 5.440 . 5.440 5.058 3.374 5.549 0.109 18 0 "[ . 1 . 2]" 1
29 1 4 LEU QD 1 5 SER H 5.140 . 5.140 3.811 1.806 4.312 . 0 0 "[ . 1 . 2]" 1
30 1 5 SER HA 1 6 GLU H 3.540 . 3.540 3.011 2.148 3.563 0.023 12 0 "[ . 1 . 2]" 1
31 1 5 SER H 1 6 GLU H 4.370 . 4.370 3.621 1.472 4.631 0.261 20 0 "[ . 1 . 2]" 1
32 1 5 SER QB 1 6 GLU H 3.960 . 3.960 2.916 1.604 3.954 . 0 0 "[ . 1 . 2]" 1
33 1 6 GLU HA 1 6 GLU QG 3.830 . 3.830 2.374 2.231 3.270 . 0 0 "[ . 1 . 2]" 1
34 1 6 GLU HA 1 7 GLU H 3.490 . 3.490 2.730 2.285 3.543 0.053 11 0 "[ . 1 . 2]" 1
35 1 6 GLU HA 1 9 ILE HB 3.840 . 3.840 2.926 2.432 3.406 . 0 0 "[ . 1 . 2]" 1
36 1 6 GLU HA 1 9 ILE MD 4.580 . 4.580 3.882 2.425 4.836 0.256 7 0 "[ . 1 . 2]" 1
37 1 6 GLU HA 1 9 ILE MG 4.580 . 4.580 4.272 3.854 4.672 0.092 7 0 "[ . 1 . 2]" 1
38 1 6 GLU HA 1 9 ILE H 3.700 . 3.700 3.531 3.248 3.726 0.026 7 0 "[ . 1 . 2]" 1
39 1 6 GLU HA 1 10 VAL H 4.640 . 4.640 4.060 3.167 4.493 . 0 0 "[ . 1 . 2]" 1
40 1 6 GLU HA 1 10 VAL QG 4.720 . 4.720 3.992 3.312 4.482 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLU H 1 6 GLU QB 3.250 . 3.250 2.776 2.317 3.450 0.200 9 0 "[ . 1 . 2]" 1
42 1 6 GLU H 1 6 GLU QG 4.160 . 4.160 2.833 1.739 4.189 0.029 20 0 "[ . 1 . 2]" 1
43 1 6 GLU H 1 9 ILE HB 5.500 . 5.500 5.294 3.419 5.629 0.129 1 0 "[ . 1 . 2]" 1
44 1 7 GLU HA 1 10 VAL HB 3.600 . 3.600 3.200 2.787 3.931 0.331 11 0 "[ . 1 . 2]" 1
45 1 7 GLU HA 1 10 VAL H 4.500 . 4.500 3.722 3.487 3.872 . 0 0 "[ . 1 . 2]" 1
46 1 7 GLU HA 1 11 ASP H 4.500 . 4.500 4.324 3.935 4.548 0.048 20 0 "[ . 1 . 2]" 1
47 1 7 GLU H 1 7 GLU QB 2.800 . 2.800 2.345 2.261 2.411 . 0 0 "[ . 1 . 2]" 1
48 1 7 GLU H 1 7 GLU QG 4.410 . 4.410 3.651 2.295 4.107 . 0 0 "[ . 1 . 2]" 1
49 1 7 GLU H 1 9 ILE HB 5.500 . 5.500 4.601 4.246 5.104 . 0 0 "[ . 1 . 2]" 1
50 1 7 GLU QB 1 8 GLN H 4.050 . 4.050 2.222 1.955 2.626 . 0 0 "[ . 1 . 2]" 1
51 1 8 GLN HA 1 10 VAL H 5.140 . 5.140 4.461 4.377 4.675 . 0 0 "[ . 1 . 2]" 1
52 1 8 GLN HA 1 11 ASP H 3.830 . 3.830 3.481 3.345 3.730 . 0 0 "[ . 1 . 2]" 1
53 1 8 GLN HA 1 11 ASP QB 3.980 . 3.980 2.759 2.472 3.000 . 0 0 "[ . 1 . 2]" 1
54 1 8 GLN HA 1 12 PHE H 4.850 . 4.850 3.848 3.605 4.310 . 0 0 "[ . 1 . 2]" 1
55 1 8 GLN H 1 8 GLN QB 3.050 . 3.050 2.679 2.434 2.871 . 0 0 "[ . 1 . 2]" 1
56 1 8 GLN H 1 8 GLN HB3 3.590 . 3.590 2.913 2.476 3.599 0.009 11 0 "[ . 1 . 2]" 1
57 1 8 GLN H 1 8 GLN HB2 3.590 . 3.590 3.432 2.833 3.627 0.037 17 0 "[ . 1 . 2]" 1
58 1 8 GLN H 1 8 GLN QG 3.420 . 3.420 1.849 1.690 2.235 . 0 0 "[ . 1 . 2]" 1
59 1 8 GLN QB 1 9 ILE H 4.220 . 4.220 3.256 2.760 3.517 . 0 0 "[ . 1 . 2]" 1
60 1 8 GLN QG 1 9 ILE H 3.920 . 3.920 2.315 1.865 3.541 . 0 0 "[ . 1 . 2]" 1
61 1 8 GLN QG 1 9 ILE MD 4.040 . 4.040 3.216 2.132 4.180 0.140 14 0 "[ . 1 . 2]" 1
62 1 8 GLN QG 1 9 ILE QG 4.060 . 4.060 2.870 2.166 4.236 0.176 12 0 "[ . 1 . 2]" 1
63 1 9 ILE HA 1 69 LEU QD 5.500 . 5.500 3.234 2.725 3.840 . 0 0 "[ . 1 . 2]" 1
64 1 9 ILE HA 1 9 ILE MD 4.250 . 4.250 2.706 2.066 3.790 . 0 0 "[ . 1 . 2]" 1
65 1 9 ILE HA 1 9 ILE QG 3.730 . 3.730 2.702 2.307 3.100 . 0 0 "[ . 1 . 2]" 1
66 1 9 ILE HA 1 9 ILE MG 3.380 . 3.380 2.369 2.235 2.628 . 0 0 "[ . 1 . 2]" 1
67 1 9 ILE HA 1 12 PHE H 5.500 . 5.500 3.534 3.398 3.689 . 0 0 "[ . 1 . 2]" 1
68 1 9 ILE HA 1 12 PHE QB 4.710 . 4.710 2.502 2.296 3.036 . 0 0 "[ . 1 . 2]" 1
69 1 9 ILE HA 1 12 PHE QD 4.210 . 4.210 3.684 2.373 4.339 0.129 7 0 "[ . 1 . 2]" 1
70 1 9 ILE HA 1 13 LYS H 5.500 . 5.500 3.545 3.097 4.051 . 0 0 "[ . 1 . 2]" 1
71 1 9 ILE HB 1 9 ILE MD 3.280 . 3.280 2.808 2.265 3.223 . 0 0 "[ . 1 . 2]" 1
72 1 9 ILE HB 1 11 ASP H 5.500 . 5.500 5.112 4.998 5.266 . 0 0 "[ . 1 . 2]" 1
73 1 9 ILE H 1 9 ILE HB 3.460 . 3.460 2.512 2.226 2.671 . 0 0 "[ . 1 . 2]" 1
74 1 9 ILE H 1 9 ILE QG 4.640 . 4.640 2.218 1.880 3.493 . 0 0 "[ . 1 . 2]" 1
75 1 9 ILE MD 1 65 PHE HZ 3.480 . 3.480 3.493 2.957 3.757 0.277 1 0 "[ . 1 . 2]" 1
76 1 9 ILE QG 1 9 ILE MG 2.900 . 2.900 2.277 2.102 2.469 . 0 0 "[ . 1 . 2]" 1
77 1 9 ILE MG 1 65 PHE HZ 4.030 . 4.030 2.480 2.262 3.049 . 0 0 "[ . 1 . 2]" 1
78 1 9 ILE MG 1 65 PHE QD 5.440 . 5.440 5.017 4.669 5.413 . 0 0 "[ . 1 . 2]" 1
79 1 9 ILE MG 1 65 PHE QE 3.420 . 3.420 3.310 2.805 3.605 0.185 4 0 "[ . 1 . 2]" 1
80 1 10 VAL HA 1 13 LYS H 5.500 . 5.500 3.632 3.394 3.882 . 0 0 "[ . 1 . 2]" 1
81 1 10 VAL HA 1 13 LYS QB 4.870 . 4.870 2.677 2.326 2.999 . 0 0 "[ . 1 . 2]" 1
82 1 10 VAL HB 1 11 ASP H 3.520 . 3.520 2.695 2.498 3.709 0.189 17 0 "[ . 1 . 2]" 1
83 1 10 VAL H 1 10 VAL HB 3.680 . 3.680 2.409 2.334 2.457 . 0 0 "[ . 1 . 2]" 1
84 1 10 VAL H 1 10 VAL QG 3.290 . 3.290 2.259 2.154 2.457 . 0 0 "[ . 1 . 2]" 1
85 1 10 VAL H 1 11 ASP H 2.880 . 2.880 2.747 2.662 2.816 . 0 0 "[ . 1 . 2]" 1
86 1 11 ASP HA 1 14 GLU H 4.500 . 4.500 3.505 3.367 3.766 . 0 0 "[ . 1 . 2]" 1
87 1 11 ASP HA 1 14 GLU HB2 3.700 . 3.700 3.269 3.015 3.684 . 0 0 "[ . 1 . 2]" 1
88 1 11 ASP HA 1 14 GLU HB3 3.700 . 3.700 2.953 2.683 3.193 . 0 0 "[ . 1 . 2]" 1
89 1 11 ASP HA 1 14 GLU HG3 5.500 . 5.500 5.436 5.232 5.610 0.110 14 0 "[ . 1 . 2]" 1
90 1 11 ASP HA 1 14 GLU HG2 5.500 . 5.500 4.803 4.330 5.419 . 0 0 "[ . 1 . 2]" 1
91 1 11 ASP H 1 11 ASP QB 3.200 . 3.200 2.289 2.216 2.514 . 0 0 "[ . 1 . 2]" 1
92 1 11 ASP H 1 12 PHE H 4.670 . 4.670 2.712 2.628 2.849 . 0 0 "[ . 1 . 2]" 1
93 1 11 ASP QB 1 12 PHE H 4.330 . 4.330 2.421 2.226 2.629 . 0 0 "[ . 1 . 2]" 1
94 1 12 PHE HA 1 12 PHE QD 3.590 . 3.590 2.383 2.031 2.686 . 0 0 "[ . 1 . 2]" 1
95 1 12 PHE HA 1 12 PHE QE 4.210 . 4.210 4.306 4.270 4.360 0.150 4 0 "[ . 1 . 2]" 1
96 1 12 PHE HA 1 15 ALA H 3.980 . 3.980 3.353 3.194 3.510 . 0 0 "[ . 1 . 2]" 1
97 1 12 PHE HA 1 15 ALA MB 4.360 . 4.360 2.634 2.340 2.897 . 0 0 "[ . 1 . 2]" 1
98 1 12 PHE QD 1 69 LEU HA 4.500 . 4.500 2.897 2.323 4.013 . 0 0 "[ . 1 . 2]" 1
99 1 12 PHE QD 1 72 MET ME 3.200 . 3.200 3.009 2.192 3.323 0.123 19 0 "[ . 1 . 2]" 1
100 1 12 PHE QE 1 72 MET ME 3.200 . 3.200 2.913 2.298 3.280 0.080 4 0 "[ . 1 . 2]" 1
101 1 12 PHE H 1 12 PHE QB 3.650 . 3.650 2.325 2.238 2.523 . 0 0 "[ . 1 . 2]" 1
102 1 12 PHE H 1 12 PHE QD 5.500 . 5.500 2.478 2.111 2.998 . 0 0 "[ . 1 . 2]" 1
103 1 12 PHE H 1 13 LYS H 4.040 . 4.040 2.770 2.672 2.832 . 0 0 "[ . 1 . 2]" 1
104 1 12 PHE H 1 13 LYS HB3 5.500 . 5.500 5.167 4.918 5.958 0.458 17 0 "[ . 1 . 2]" 1
105 1 12 PHE H 1 13 LYS HB2 5.500 . 5.500 4.919 4.457 5.146 . 0 0 "[ . 1 . 2]" 1
106 1 12 PHE H 1 14 GLU H 5.500 . 5.500 4.000 3.864 4.121 . 0 0 "[ . 1 . 2]" 1
107 1 12 PHE QB 1 65 PHE QE 3.530 . 3.530 3.251 2.546 3.613 0.083 8 0 "[ . 1 . 2]" 1
108 1 12 PHE QB 1 68 PHE QD 3.660 . 3.660 3.651 3.335 3.746 0.086 13 0 "[ . 1 . 2]" 1
109 1 12 PHE HB3 1 69 LEU MD1 5.500 . 5.500 2.749 2.234 3.991 . 0 0 "[ . 1 . 2]" 1
110 1 12 PHE HB3 1 69 LEU MD2 5.500 . 5.500 4.850 2.274 5.388 . 0 0 "[ . 1 . 2]" 1
111 1 12 PHE HB2 1 69 LEU MD1 5.500 . 5.500 2.973 2.267 4.007 . 0 0 "[ . 1 . 2]" 1
112 1 12 PHE HB2 1 69 LEU MD2 5.500 . 5.500 5.024 2.474 5.764 0.264 7 0 "[ . 1 . 2]" 1
113 1 12 PHE QD 1 69 LEU QD 3.460 . 3.460 2.267 1.947 3.225 . 0 0 "[ . 1 . 2]" 1
114 1 12 PHE QD 1 72 MET QG 4.260 . 4.260 3.625 2.867 4.312 0.052 14 0 "[ . 1 . 2]" 1
115 1 12 PHE QE 1 69 LEU QD 3.440 . 3.440 3.304 2.283 3.609 0.169 5 0 "[ . 1 . 2]" 1
116 1 12 PHE QE 1 72 MET H 5.500 . 5.500 4.780 4.284 5.641 0.141 11 0 "[ . 1 . 2]" 1
117 1 12 PHE QE 1 72 MET QB 4.630 . 4.630 2.314 2.080 3.072 . 0 0 "[ . 1 . 2]" 1
118 1 12 PHE QE 1 72 MET QG 4.630 . 4.630 3.472 2.288 4.588 . 0 0 "[ . 1 . 2]" 1
119 1 13 LYS HA 1 13 LYS QD 4.470 . 4.470 2.762 2.163 4.088 . 0 0 "[ . 1 . 2]" 1
120 1 13 LYS HA 1 13 LYS HD3 5.340 . 5.340 3.246 2.311 4.701 . 0 0 "[ . 1 . 2]" 1
121 1 13 LYS HA 1 13 LYS HD2 5.340 . 5.340 3.235 2.253 4.571 . 0 0 "[ . 1 . 2]" 1
122 1 13 LYS HA 1 13 LYS QG 3.710 . 3.710 2.506 2.231 2.865 . 0 0 "[ . 1 . 2]" 1
123 1 13 LYS HA 1 16 PHE H 3.660 . 3.660 3.353 3.175 3.594 . 0 0 "[ . 1 . 2]" 1
124 1 13 LYS HA 1 16 PHE HB3 4.000 . 4.000 2.773 2.518 2.985 . 0 0 "[ . 1 . 2]" 1
125 1 13 LYS HA 1 16 PHE HB2 4.000 . 4.000 3.588 3.096 3.942 . 0 0 "[ . 1 . 2]" 1
126 1 13 LYS HA 1 16 PHE QD 4.920 . 4.920 4.434 4.076 4.657 . 0 0 "[ . 1 . 2]" 1
127 1 13 LYS HA 1 17 GLY H 4.410 . 4.410 3.792 3.647 3.954 . 0 0 "[ . 1 . 2]" 1
128 1 13 LYS HA 1 65 PHE QD 4.370 . 4.370 3.337 2.687 3.872 . 0 0 "[ . 1 . 2]" 1
129 1 13 LYS HA 1 65 PHE QE 4.100 . 4.100 2.595 2.322 3.505 . 0 0 "[ . 1 . 2]" 1
130 1 13 LYS H 1 13 LYS QB 3.500 . 3.500 2.178 2.037 2.243 . 0 0 "[ . 1 . 2]" 1
131 1 13 LYS H 1 13 LYS HB3 4.110 . 4.110 2.769 2.570 3.435 . 0 0 "[ . 1 . 2]" 1
132 1 13 LYS H 1 13 LYS HB2 4.110 . 4.110 2.309 2.061 2.462 . 0 0 "[ . 1 . 2]" 1
133 1 13 LYS H 1 13 LYS HD3 5.500 . 5.500 4.747 4.174 5.822 0.322 2 0 "[ . 1 . 2]" 1
134 1 13 LYS H 1 13 LYS HD2 5.500 . 5.500 4.908 4.645 5.782 0.282 6 0 "[ . 1 . 2]" 1
135 1 13 LYS H 1 13 LYS HG3 5.500 . 5.500 4.369 3.731 4.568 . 0 0 "[ . 1 . 2]" 1
136 1 13 LYS H 1 13 LYS HG2 5.500 . 5.500 4.358 2.967 4.633 . 0 0 "[ . 1 . 2]" 1
137 1 13 LYS H 1 14 GLU H 4.100 . 4.100 2.728 2.654 2.862 . 0 0 "[ . 1 . 2]" 1
138 1 13 LYS H 1 14 GLU HB2 5.500 . 5.500 4.966 4.810 5.126 . 0 0 "[ . 1 . 2]" 1
139 1 13 LYS H 1 14 GLU HB3 5.500 . 5.500 5.124 4.967 5.270 . 0 0 "[ . 1 . 2]" 1
140 1 13 LYS H 1 65 PHE HZ 5.500 . 5.500 4.716 4.070 5.494 . 0 0 "[ . 1 . 2]" 1
141 1 13 LYS QB 1 14 GLU H 3.010 . 3.010 2.728 2.608 2.812 . 0 0 "[ . 1 . 2]" 1
142 1 13 LYS HD3 1 65 PHE QD 5.500 . 5.500 4.208 3.427 5.595 0.095 19 0 "[ . 1 . 2]" 1
143 1 13 LYS HD2 1 65 PHE QD 5.500 . 5.500 4.350 2.803 5.547 0.047 15 0 "[ . 1 . 2]" 1
144 1 14 GLU HA 1 14 GLU HB2 2.700 . 2.700 2.515 2.451 2.562 . 0 0 "[ . 1 . 2]" 1
145 1 14 GLU HA 1 14 GLU QG 3.100 . 3.100 2.499 2.254 2.720 . 0 0 "[ . 1 . 2]" 1
146 1 14 GLU HA 1 17 GLY H 3.710 . 3.710 3.593 3.550 3.677 . 0 0 "[ . 1 . 2]" 1
147 1 14 GLU H 1 14 GLU HB2 3.390 . 3.390 2.412 2.339 2.517 . 0 0 "[ . 1 . 2]" 1
148 1 14 GLU H 1 14 GLU HB3 3.670 . 3.670 2.628 2.502 2.725 . 0 0 "[ . 1 . 2]" 1
149 1 14 GLU H 1 14 GLU QG 4.630 . 4.630 4.002 3.931 4.057 . 0 0 "[ . 1 . 2]" 1
150 1 14 GLU H 1 14 GLU HG3 5.410 . 5.410 4.430 4.340 4.473 . 0 0 "[ . 1 . 2]" 1
151 1 14 GLU H 1 14 GLU HG2 5.410 . 5.410 4.562 4.428 4.652 . 0 0 "[ . 1 . 2]" 1
152 1 14 GLU HB3 1 15 ALA HA 5.500 . 5.500 4.102 4.039 4.245 . 0 0 "[ . 1 . 2]" 1
153 1 14 GLU HB3 1 15 ALA H 3.340 . 3.340 2.603 2.518 2.713 . 0 0 "[ . 1 . 2]" 1
154 1 14 GLU QG 1 15 ALA HA 5.340 . 5.340 3.868 3.597 4.095 . 0 0 "[ . 1 . 2]" 1
155 1 14 GLU QG 1 15 ALA H 4.890 . 4.890 3.826 3.607 3.997 . 0 0 "[ . 1 . 2]" 1
156 1 14 GLU QG 1 18 LEU HB3 4.530 . 4.530 4.725 4.616 4.877 0.347 3 0 "[ . 1 . 2]" 1
157 1 14 GLU HG3 1 18 LEU HB2 5.500 . 5.500 3.999 3.247 5.257 . 0 0 "[ . 1 . 2]" 1
158 1 14 GLU HG2 1 18 LEU HB2 5.500 . 5.500 4.448 3.377 5.608 0.108 10 0 "[ . 1 . 2]" 1
159 1 15 ALA HA 1 18 LEU H 3.730 . 3.730 3.705 3.469 3.789 0.059 4 0 "[ . 1 . 2]" 1
160 1 15 ALA HA 1 18 LEU HB3 4.150 . 4.150 3.428 2.907 4.279 0.129 14 0 "[ . 1 . 2]" 1
161 1 15 ALA HA 1 18 LEU HB2 3.530 . 3.530 3.236 2.698 3.538 0.008 19 0 "[ . 1 . 2]" 1
162 1 15 ALA HA 1 18 LEU QD 3.790 . 3.790 3.563 2.725 4.254 0.464 18 0 "[ . 1 . 2]" 1
163 1 15 ALA HA 1 19 PHE H 4.730 . 4.730 4.187 4.092 4.275 . 0 0 "[ . 1 . 2]" 1
164 1 15 ALA HA 1 68 PHE HZ 4.980 . 4.980 4.843 4.545 5.031 0.051 11 0 "[ . 1 . 2]" 1
165 1 15 ALA H 1 15 ALA MB 2.930 . 2.930 2.237 2.182 2.292 . 0 0 "[ . 1 . 2]" 1
166 1 15 ALA H 1 16 PHE H 3.870 . 3.870 2.681 2.489 2.799 . 0 0 "[ . 1 . 2]" 1
167 1 15 ALA H 1 68 PHE QE 5.500 . 5.500 4.233 4.077 4.396 . 0 0 "[ . 1 . 2]" 1
168 1 15 ALA MB 1 16 PHE H 3.320 . 3.320 2.578 2.398 2.800 . 0 0 "[ . 1 . 2]" 1
169 1 15 ALA MB 1 18 LEU H 5.500 . 5.500 4.771 4.656 4.870 . 0 0 "[ . 1 . 2]" 1
170 1 15 ALA MB 1 19 PHE QD 4.110 . 4.110 4.067 3.977 4.163 0.053 1 0 "[ . 1 . 2]" 1
171 1 15 ALA MB 1 19 PHE QE 4.380 . 4.380 3.423 3.072 3.545 . 0 0 "[ . 1 . 2]" 1
172 1 15 ALA MB 1 68 PHE QD 4.150 . 4.150 4.170 4.068 4.261 0.111 4 0 "[ . 1 . 2]" 1
173 1 15 ALA MB 1 68 PHE QE 3.660 . 3.660 2.224 2.157 2.265 . 0 0 "[ . 1 . 2]" 1
174 1 16 PHE HA 1 16 PHE QD 4.130 . 4.130 2.769 2.368 2.910 . 0 0 "[ . 1 . 2]" 1
175 1 16 PHE HA 1 19 PHE QB 4.500 . 4.500 2.494 2.310 2.753 . 0 0 "[ . 1 . 2]" 1
176 1 16 PHE HA 1 19 PHE H 4.500 . 4.500 3.382 3.283 3.494 . 0 0 "[ . 1 . 2]" 1
177 1 16 PHE HA 1 19 PHE QD 3.840 . 3.840 3.671 3.238 4.000 0.160 18 0 "[ . 1 . 2]" 1
178 1 16 PHE HA 1 27 ILE MD 5.070 . 5.070 2.711 2.424 3.463 . 0 0 "[ . 1 . 2]" 1
179 1 16 PHE HA 1 68 PHE QE 3.690 . 3.690 3.652 3.335 3.784 0.094 13 0 "[ . 1 . 2]" 1
180 1 16 PHE H 1 16 PHE QB 3.360 . 3.360 2.229 2.215 2.237 . 0 0 "[ . 1 . 2]" 1
181 1 16 PHE H 1 16 PHE HB3 4.020 . 4.020 2.493 2.418 2.558 . 0 0 "[ . 1 . 2]" 1
182 1 16 PHE H 1 16 PHE HB2 4.020 . 4.020 2.516 2.448 2.612 . 0 0 "[ . 1 . 2]" 1
183 1 16 PHE H 1 16 PHE QD 5.500 . 5.500 4.150 4.137 4.160 . 0 0 "[ . 1 . 2]" 1
184 1 16 PHE H 1 17 GLY H 3.960 . 3.960 2.701 2.616 2.764 . 0 0 "[ . 1 . 2]" 1
185 1 16 PHE H 1 68 PHE QD 5.500 . 5.500 4.012 3.864 4.265 . 0 0 "[ . 1 . 2]" 1
186 1 16 PHE H 1 68 PHE QE 5.500 . 5.500 3.002 2.847 3.135 . 0 0 "[ . 1 . 2]" 1
187 1 16 PHE HZ 1 25 GLY QA 5.290 . 5.290 3.801 3.619 4.264 . 0 0 "[ . 1 . 2]" 1
188 1 16 PHE HZ 1 26 CYS HA 4.450 . 4.450 2.336 2.294 2.516 . 0 0 "[ . 1 . 2]" 1
189 1 16 PHE HZ 1 64 GLU HA 4.880 . 4.880 3.258 2.327 3.878 . 0 0 "[ . 1 . 2]" 1
190 1 16 PHE HZ 1 65 PHE HA 5.500 . 5.500 4.563 4.135 4.840 . 0 0 "[ . 1 . 2]" 1
191 1 16 PHE HZ 1 65 PHE H 5.500 . 5.500 4.021 3.416 4.300 . 0 0 "[ . 1 . 2]" 1
192 1 16 PHE QB 1 17 GLY H 4.180 . 4.180 2.373 2.339 2.418 . 0 0 "[ . 1 . 2]" 1
193 1 16 PHE QB 1 68 PHE QD 3.700 . 3.700 2.403 2.288 2.601 . 0 0 "[ . 1 . 2]" 1
194 1 16 PHE QB 1 68 PHE QE 3.960 . 3.960 3.070 2.892 3.183 . 0 0 "[ . 1 . 2]" 1
195 1 16 PHE QD 1 17 GLY H 5.500 . 5.500 3.183 2.945 3.658 . 0 0 "[ . 1 . 2]" 1
196 1 16 PHE QD 1 17 GLY QA 4.790 . 4.790 2.911 2.676 3.545 . 0 0 "[ . 1 . 2]" 1
197 1 16 PHE QD 1 19 PHE QD 4.500 . 4.500 4.626 4.320 4.742 0.242 16 0 "[ . 1 . 2]" 1
198 1 16 PHE QD 1 25 GLY QA 5.090 . 5.090 4.493 3.985 4.898 . 0 0 "[ . 1 . 2]" 1
199 1 16 PHE QD 1 27 ILE MD 3.570 . 3.570 2.420 2.221 3.157 . 0 0 "[ . 1 . 2]" 1
200 1 16 PHE QD 1 65 PHE HA 3.830 . 3.830 3.521 3.321 3.762 . 0 0 "[ . 1 . 2]" 1
201 1 16 PHE QD 1 65 PHE H 5.500 . 5.500 5.092 4.621 5.353 . 0 0 "[ . 1 . 2]" 1
202 1 16 PHE QD 1 68 PHE HA 5.500 . 5.500 4.573 4.484 4.790 . 0 0 "[ . 1 . 2]" 1
203 1 16 PHE QD 1 68 PHE H 5.500 . 5.500 4.646 4.501 4.994 . 0 0 "[ . 1 . 2]" 1
204 1 16 PHE QD 1 68 PHE QB 3.370 . 3.370 2.282 2.187 2.567 . 0 0 "[ . 1 . 2]" 1
205 1 16 PHE QD 1 68 PHE QD 4.280 . 4.280 2.949 2.750 3.039 . 0 0 "[ . 1 . 2]" 1
206 1 16 PHE QD 1 68 PHE QE 5.340 . 5.340 4.005 3.732 4.113 . 0 0 "[ . 1 . 2]" 1
207 1 16 PHE QE 1 25 GLY QA 4.880 . 4.880 2.556 2.295 2.971 . 0 0 "[ . 1 . 2]" 1
208 1 16 PHE QE 1 26 CYS HA 5.500 . 5.500 3.652 3.479 3.761 . 0 0 "[ . 1 . 2]" 1
209 1 16 PHE QE 1 27 ILE HB 4.970 . 4.970 3.375 2.942 4.265 . 0 0 "[ . 1 . 2]" 1
210 1 16 PHE QE 1 27 ILE QG 4.390 . 4.390 2.692 2.141 4.024 . 0 0 "[ . 1 . 2]" 1
211 1 16 PHE QE 1 27 ILE HG12 4.340 . 4.340 4.010 2.261 4.555 0.215 1 0 "[ . 1 . 2]" 1
212 1 16 PHE QE 1 63 ILE MD 4.950 . 4.950 4.740 4.429 4.997 0.047 9 0 "[ . 1 . 2]" 1
213 1 16 PHE QE 1 63 ILE MG 4.300 . 4.300 3.463 2.987 3.892 . 0 0 "[ . 1 . 2]" 1
214 1 16 PHE QE 1 64 GLU HA 4.210 . 4.210 3.463 3.097 3.771 . 0 0 "[ . 1 . 2]" 1
215 1 16 PHE QE 1 65 PHE HA 3.750 . 3.750 3.718 3.374 3.915 0.165 2 0 "[ . 1 . 2]" 1
216 1 16 PHE QE 1 65 PHE H 5.500 . 5.500 4.087 3.639 4.279 . 0 0 "[ . 1 . 2]" 1
217 1 16 PHE QE 1 65 PHE QB 4.670 . 4.670 4.006 3.611 4.303 . 0 0 "[ . 1 . 2]" 1
218 1 16 PHE QE 1 68 PHE QB 3.390 . 3.390 2.801 2.555 2.999 . 0 0 "[ . 1 . 2]" 1
219 1 17 GLY H 1 18 LEU H 4.200 . 4.200 2.797 2.639 2.875 . 0 0 "[ . 1 . 2]" 1
220 1 17 GLY H 1 19 PHE H 5.500 . 5.500 4.094 4.007 4.190 . 0 0 "[ . 1 . 2]" 1
221 1 17 GLY H 1 68 PHE QE 5.500 . 5.500 5.513 5.434 5.588 0.088 6 0 "[ . 1 . 2]" 1
222 1 17 GLY QA 1 20 ASP H 5.140 . 5.140 3.348 3.243 3.437 . 0 0 "[ . 1 . 2]" 1
223 1 17 GLY QA 1 20 ASP HB3 5.340 . 5.340 2.724 2.551 2.941 . 0 0 "[ . 1 . 2]" 1
224 1 17 GLY QA 1 20 ASP HB2 4.210 . 4.210 4.083 3.885 4.241 0.031 6 0 "[ . 1 . 2]" 1
225 1 18 LEU HA 1 18 LEU QD 3.150 . 3.150 2.291 1.970 2.882 . 0 0 "[ . 1 . 2]" 1
226 1 18 LEU HA 1 18 LEU MD1 3.930 . 3.930 3.067 2.153 3.801 . 0 0 "[ . 1 . 2]" 1
227 1 18 LEU HA 1 18 LEU MD2 3.930 . 3.930 2.951 2.127 3.847 . 0 0 "[ . 1 . 2]" 1
228 1 18 LEU HA 1 20 ASP H 4.420 . 4.420 4.440 4.327 4.607 0.187 14 0 "[ . 1 . 2]" 1
229 1 18 LEU H 1 18 LEU HB3 3.410 . 3.410 2.962 2.600 3.497 0.087 13 0 "[ . 1 . 2]" 1
230 1 18 LEU H 1 18 LEU HB2 3.380 . 3.380 2.202 2.054 2.395 . 0 0 "[ . 1 . 2]" 1
231 1 18 LEU H 1 19 PHE H 3.440 . 3.440 2.631 2.606 2.689 . 0 0 "[ . 1 . 2]" 1
232 1 18 LEU H 1 20 ASP H 4.500 . 4.500 4.130 4.013 4.246 . 0 0 "[ . 1 . 2]" 1
233 1 18 LEU QB 1 19 PHE QE 4.680 . 4.680 3.308 3.176 3.434 . 0 0 "[ . 1 . 2]" 1
234 1 18 LEU HB3 1 19 PHE HA 5.500 . 5.500 4.069 3.965 4.299 . 0 0 "[ . 1 . 2]" 1
235 1 18 LEU HB3 1 19 PHE H 4.250 . 4.250 2.858 2.605 3.500 . 0 0 "[ . 1 . 2]" 1
236 1 18 LEU HB2 1 18 LEU MD1 3.640 . 3.640 2.361 2.233 3.191 . 0 0 "[ . 1 . 2]" 1
237 1 18 LEU HB2 1 18 LEU MD2 3.640 . 3.640 2.876 2.236 3.212 . 0 0 "[ . 1 . 2]" 1
238 1 18 LEU HB2 1 19 PHE HA 5.370 . 5.370 5.316 4.633 5.575 0.205 19 0 "[ . 1 . 2]" 1
239 1 18 LEU HB2 1 19 PHE H 3.990 . 3.990 3.445 2.777 3.808 . 0 0 "[ . 1 . 2]" 1
240 1 18 LEU HB2 1 19 PHE QD 3.750 . 3.750 3.791 2.883 4.085 0.335 19 0 "[ . 1 . 2]" 1
241 1 18 LEU HB2 1 20 ASP H 5.500 . 5.500 5.538 5.092 5.775 0.275 8 0 "[ . 1 . 2]" 1
242 1 18 LEU QD 1 19 PHE QE 3.790 . 3.790 3.318 2.661 3.997 0.207 4 0 "[ . 1 . 2]" 1
243 1 19 PHE HA 1 19 PHE QD 3.620 . 3.620 2.275 2.134 2.358 . 0 0 "[ . 1 . 2]" 1
244 1 19 PHE HA 1 20 ASP HB3 5.500 . 5.500 5.741 5.688 5.886 0.386 3 0 "[ . 1 . 2]" 1
245 1 19 PHE HA 1 21 LYS H 5.310 . 5.310 3.660 3.489 3.795 . 0 0 "[ . 1 . 2]" 1
246 1 19 PHE HA 1 27 ILE MD 5.500 . 5.500 4.348 4.151 5.067 . 0 0 "[ . 1 . 2]" 1
247 1 19 PHE HA 1 27 ILE MG 5.500 . 5.500 4.775 4.453 5.061 . 0 0 "[ . 1 . 2]" 1
248 1 19 PHE HA 1 34 THR MG 5.500 . 5.500 5.625 5.567 5.701 0.201 13 0 "[ . 1 . 2]" 1
249 1 19 PHE HA 1 35 VAL MG1 5.500 . 5.500 3.412 3.190 3.929 . 0 0 "[ . 1 . 2]" 1
250 1 19 PHE HA 1 35 VAL MG2 4.080 . 4.080 2.141 2.060 2.372 . 0 0 "[ . 1 . 2]" 1
251 1 19 PHE H 1 19 PHE HB3 3.620 . 3.620 3.577 3.555 3.596 . 0 0 "[ . 1 . 2]" 1
252 1 19 PHE H 1 20 ASP H 3.650 . 3.650 2.564 2.452 2.629 . 0 0 "[ . 1 . 2]" 1
253 1 19 PHE H 1 20 ASP HB2 5.500 . 5.500 5.108 4.887 5.213 . 0 0 "[ . 1 . 2]" 1
254 1 19 PHE QB 1 32 LEU HA 4.190 . 4.190 4.296 4.164 4.380 0.190 14 0 "[ . 1 . 2]" 1
255 1 19 PHE QB 1 35 VAL HB 3.830 . 3.830 4.086 3.982 4.219 0.389 5 0 "[ . 1 . 2]" 1
256 1 19 PHE HB3 1 20 ASP H 3.960 . 3.960 3.540 3.393 3.645 . 0 0 "[ . 1 . 2]" 1
257 1 19 PHE HB3 1 20 ASP HB3 5.440 . 5.440 5.506 5.385 5.653 0.213 16 0 "[ . 1 . 2]" 1
258 1 19 PHE HB3 1 27 ILE HA 5.500 . 5.500 5.554 5.324 5.657 0.157 1 0 "[ . 1 . 2]" 1
259 1 19 PHE HB3 1 27 ILE HB 5.280 . 5.280 4.981 4.563 5.248 . 0 0 "[ . 1 . 2]" 1
260 1 19 PHE HB3 1 27 ILE MD 3.990 . 3.990 2.294 2.197 3.302 . 0 0 "[ . 1 . 2]" 1
261 1 19 PHE HB3 1 27 ILE HG13 4.360 . 4.360 4.502 3.919 4.638 0.278 10 0 "[ . 1 . 2]" 1
262 1 19 PHE HB3 1 27 ILE MG 3.820 . 3.820 2.959 2.641 3.119 . 0 0 "[ . 1 . 2]" 1
263 1 19 PHE HB2 1 27 ILE MG 4.110 . 4.110 3.997 3.579 4.267 0.157 1 0 "[ . 1 . 2]" 1
264 1 19 PHE HB2 1 35 VAL MG2 4.790 . 4.790 3.662 3.600 3.725 . 0 0 "[ . 1 . 2]" 1
265 1 19 PHE QD 1 27 ILE MD 3.560 . 3.560 2.753 2.536 3.772 0.212 1 0 "[ . 1 . 2]" 1
266 1 19 PHE QD 1 35 VAL HA 5.500 . 5.500 5.410 5.313 5.537 0.037 6 0 "[ . 1 . 2]" 1
267 1 19 PHE QD 1 35 VAL QG 3.940 . 3.940 2.618 2.575 2.648 . 0 0 "[ . 1 . 2]" 1
268 1 19 PHE QD 1 35 VAL MG2 3.610 . 3.610 3.040 2.863 3.166 . 0 0 "[ . 1 . 2]" 1
269 1 19 PHE QE 1 35 VAL QG 4.130 . 4.130 2.776 2.669 2.939 . 0 0 "[ . 1 . 2]" 1
270 1 20 ASP HA 1 21 LYS H 3.320 . 3.320 2.668 2.580 2.781 . 0 0 "[ . 1 . 2]" 1
271 1 20 ASP HA 1 23 GLY H 5.120 . 5.120 3.804 3.659 3.953 . 0 0 "[ . 1 . 2]" 1
272 1 20 ASP HA 1 27 ILE HG13 5.500 . 5.500 3.932 2.341 5.607 0.107 16 0 "[ . 1 . 2]" 1
273 1 20 ASP HA 1 27 ILE MG 5.500 . 5.500 3.744 3.402 4.260 . 0 0 "[ . 1 . 2]" 1
274 1 20 ASP H 1 20 ASP HB3 3.810 . 3.810 2.330 2.281 2.510 . 0 0 "[ . 1 . 2]" 1
275 1 20 ASP H 1 20 ASP HB2 3.960 . 3.960 2.705 2.409 2.851 . 0 0 "[ . 1 . 2]" 1
276 1 20 ASP H 1 21 LYS H 4.330 . 4.330 3.379 3.225 3.545 . 0 0 "[ . 1 . 2]" 1
277 1 20 ASP H 1 27 ILE MD 5.500 . 5.500 3.376 2.923 3.612 . 0 0 "[ . 1 . 2]" 1
278 1 20 ASP HB3 1 23 GLY H 5.500 . 5.500 3.552 3.188 3.816 . 0 0 "[ . 1 . 2]" 1
279 1 20 ASP HB3 1 27 ILE MD 4.150 . 4.150 4.152 3.376 4.285 0.135 14 0 "[ . 1 . 2]" 1
280 1 20 ASP HB2 1 23 GLY H 5.500 . 5.500 4.316 4.130 4.472 . 0 0 "[ . 1 . 2]" 1
281 1 20 ASP HB2 1 25 GLY H 5.500 . 5.500 4.222 4.053 4.552 . 0 0 "[ . 1 . 2]" 1
282 1 20 ASP HB2 1 27 ILE MD 5.390 . 5.390 3.125 2.035 3.367 . 0 0 "[ . 1 . 2]" 1
283 1 21 LYS HA 1 21 LYS QD 3.510 . 3.510 3.364 2.194 4.034 0.524 2 1 "[ + . 1 . 2]" 1
284 1 21 LYS HA 1 21 LYS QG 3.360 . 3.360 2.484 2.157 3.393 0.033 8 0 "[ . 1 . 2]" 1
285 1 21 LYS HA 1 21 LYS HG3 4.110 . 4.110 3.018 2.327 3.765 . 0 0 "[ . 1 . 2]" 1
286 1 21 LYS HA 1 21 LYS HG2 4.110 . 4.110 2.881 2.313 4.209 0.099 8 0 "[ . 1 . 2]" 1
287 1 21 LYS H 1 21 LYS QB 3.260 . 3.260 2.411 2.105 2.641 . 0 0 "[ . 1 . 2]" 1
288 1 21 LYS H 1 21 LYS HB3 3.870 . 3.870 3.263 2.317 3.648 . 0 0 "[ . 1 . 2]" 1
289 1 21 LYS H 1 21 LYS HB2 3.870 . 3.870 2.597 2.126 3.630 . 0 0 "[ . 1 . 2]" 1
290 1 21 LYS H 1 21 LYS HG3 5.020 . 5.020 3.231 2.053 4.570 . 0 0 "[ . 1 . 2]" 1
291 1 21 LYS H 1 21 LYS HG2 5.020 . 5.020 3.498 1.893 4.715 . 0 0 "[ . 1 . 2]" 1
292 1 21 LYS H 1 22 ASP H 3.300 . 3.300 3.043 2.996 3.129 . 0 0 "[ . 1 . 2]" 1
293 1 21 LYS QB 1 21 LYS QD 2.540 . 2.540 2.204 2.108 2.363 . 0 0 "[ . 1 . 2]" 1
294 1 21 LYS QB 1 21 LYS QE 3.630 . 3.630 3.077 2.137 3.798 0.168 4 0 "[ . 1 . 2]" 1
295 1 21 LYS QB 1 22 ASP HA 5.340 . 5.340 4.066 3.879 4.604 . 0 0 "[ . 1 . 2]" 1
296 1 21 LYS QB 1 22 ASP H 3.670 . 3.670 2.997 2.615 3.764 0.094 8 0 "[ . 1 . 2]" 1
297 1 21 LYS HB3 1 22 ASP H 4.250 . 4.250 3.585 2.901 4.204 . 0 0 "[ . 1 . 2]" 1
298 1 21 LYS HB2 1 22 ASP H 4.250 . 4.250 3.462 2.687 4.292 0.042 8 0 "[ . 1 . 2]" 1
299 1 21 LYS HG3 1 22 ASP H 5.500 . 5.500 4.594 2.316 5.335 . 0 0 "[ . 1 . 2]" 1
300 1 21 LYS HG2 1 22 ASP H 5.500 . 5.500 4.733 4.030 5.237 . 0 0 "[ . 1 . 2]" 1
301 1 22 ASP H 1 22 ASP QB 3.650 . 3.650 2.637 2.519 2.857 . 0 0 "[ . 1 . 2]" 1
302 1 22 ASP H 1 23 GLY H 3.430 . 3.430 2.419 2.258 2.571 . 0 0 "[ . 1 . 2]" 1
303 1 22 ASP H 1 24 ASP H 4.370 . 4.370 4.010 3.793 4.142 . 0 0 "[ . 1 . 2]" 1
304 1 22 ASP QB 1 24 ASP H 4.280 . 4.280 2.669 2.308 3.283 . 0 0 "[ . 1 . 2]" 1
305 1 22 ASP HB3 1 23 GLY H 5.500 . 5.500 4.126 4.019 4.369 . 0 0 "[ . 1 . 2]" 1
306 1 22 ASP HB2 1 23 GLY H 5.500 . 5.500 3.286 2.870 4.015 . 0 0 "[ . 1 . 2]" 1
307 1 23 GLY H 1 24 ASP H 3.660 . 3.660 2.538 2.466 2.686 . 0 0 "[ . 1 . 2]" 1
308 1 23 GLY QA 1 25 GLY H 4.180 . 4.180 3.064 2.858 3.223 . 0 0 "[ . 1 . 2]" 1
309 1 24 ASP H 1 24 ASP QB 3.430 . 3.430 2.483 2.404 2.614 . 0 0 "[ . 1 . 2]" 1
310 1 24 ASP H 1 25 GLY H 5.500 . 5.500 2.639 2.575 2.728 . 0 0 "[ . 1 . 2]" 1
311 1 24 ASP H 1 26 CYS H 3.700 . 3.700 3.913 3.767 3.997 0.297 2 0 "[ . 1 . 2]" 1
312 1 24 ASP QB 1 26 CYS H 5.340 . 5.340 3.332 2.439 3.529 . 0 0 "[ . 1 . 2]" 1
313 1 25 GLY H 1 26 CYS H 4.590 . 4.590 2.568 2.408 2.755 . 0 0 "[ . 1 . 2]" 1
314 1 26 CYS HA 1 64 GLU HA 3.420 . 3.420 3.196 2.969 3.374 . 0 0 "[ . 1 . 2]" 1
315 1 26 CYS HA 1 64 GLU QB 5.340 . 5.340 4.909 4.505 5.127 . 0 0 "[ . 1 . 2]" 1
316 1 26 CYS QB 1 62 THR HB 4.140 . 4.140 2.892 2.320 4.112 . 0 0 "[ . 1 . 2]" 1
317 1 26 CYS HB3 1 27 ILE H 5.500 . 5.500 3.466 3.138 4.262 . 0 0 "[ . 1 . 2]" 1
318 1 26 CYS HB3 1 62 THR MG 5.500 . 5.500 3.698 2.141 4.785 . 0 0 "[ . 1 . 2]" 1
319 1 26 CYS HB2 1 27 ILE H 5.500 . 5.500 3.985 2.964 4.395 . 0 0 "[ . 1 . 2]" 1
320 1 26 CYS HB2 1 62 THR MG 5.500 . 5.500 4.073 2.886 5.084 . 0 0 "[ . 1 . 2]" 1
321 1 27 ILE HA 1 27 ILE MD 4.510 . 4.510 3.771 2.299 3.911 . 0 0 "[ . 1 . 2]" 1
322 1 27 ILE HA 1 28 THR H 3.280 . 3.280 2.200 2.186 2.211 . 0 0 "[ . 1 . 2]" 1
323 1 27 ILE HA 1 31 GLU HB3 5.500 . 5.500 3.639 3.237 4.055 . 0 0 "[ . 1 . 2]" 1
324 1 27 ILE HA 1 31 GLU HB2 5.500 . 5.500 3.394 3.009 4.377 . 0 0 "[ . 1 . 2]" 1
325 1 27 ILE HA 1 62 THR MG 5.500 . 5.500 5.424 4.015 5.630 0.130 11 0 "[ . 1 . 2]" 1
326 1 27 ILE HB 1 32 LEU QB 5.330 . 5.330 4.175 3.744 4.588 . 0 0 "[ . 1 . 2]" 1
327 1 27 ILE HB 1 63 ILE H 4.730 . 4.730 3.327 2.837 3.755 . 0 0 "[ . 1 . 2]" 1
328 1 27 ILE HB 1 63 ILE QG 5.340 . 5.340 3.567 2.411 4.144 . 0 0 "[ . 1 . 2]" 1
329 1 27 ILE HB 1 63 ILE MG 4.100 . 4.100 3.957 3.706 4.162 0.062 1 0 "[ . 1 . 2]" 1
330 1 27 ILE H 1 27 ILE HB 4.210 . 4.210 2.532 2.443 2.806 . 0 0 "[ . 1 . 2]" 1
331 1 27 ILE H 1 27 ILE MD 4.370 . 4.370 3.485 2.027 3.678 . 0 0 "[ . 1 . 2]" 1
332 1 27 ILE H 1 27 ILE HG12 4.390 . 4.390 3.764 1.826 4.211 . 0 0 "[ . 1 . 2]" 1
333 1 27 ILE H 1 62 THR HB 5.500 . 5.500 3.924 3.313 5.584 0.084 19 0 "[ . 1 . 2]" 1
334 1 27 ILE H 1 63 ILE HB 4.760 . 4.760 3.549 3.171 3.856 . 0 0 "[ . 1 . 2]" 1
335 1 27 ILE MD 1 32 LEU HA 5.500 . 5.500 4.379 4.123 5.328 . 0 0 "[ . 1 . 2]" 1
336 1 27 ILE MD 1 32 LEU QB 5.330 . 5.330 4.455 4.037 5.149 . 0 0 "[ . 1 . 2]" 1
337 1 27 ILE MD 1 63 ILE HB 4.430 . 4.430 3.134 2.712 3.996 . 0 0 "[ . 1 . 2]" 1
338 1 27 ILE MD 1 63 ILE MD 3.890 . 3.890 3.503 2.988 4.088 0.198 16 0 "[ . 1 . 2]" 1
339 1 27 ILE MD 1 63 ILE MG 4.660 . 4.660 3.606 3.342 4.687 0.027 16 0 "[ . 1 . 2]" 1
340 1 27 ILE MD 1 68 PHE QB 5.340 . 5.340 3.325 3.053 4.443 . 0 0 "[ . 1 . 2]" 1
341 1 27 ILE MD 1 68 PHE QD 4.600 . 4.600 3.362 3.042 4.663 0.063 16 0 "[ . 1 . 2]" 1
342 1 27 ILE MD 1 68 PHE QE 4.910 . 4.910 3.899 3.505 4.950 0.040 1 0 "[ . 1 . 2]" 1
343 1 27 ILE MD 1 27 ILE MG 3.550 . 3.550 1.964 1.840 3.057 . 0 0 "[ . 1 . 2]" 1
344 1 27 ILE MG 1 28 THR H 4.170 . 4.170 2.995 2.872 3.187 . 0 0 "[ . 1 . 2]" 1
345 1 27 ILE MG 1 31 GLU HA 5.150 . 5.150 4.311 3.962 4.577 . 0 0 "[ . 1 . 2]" 1
346 1 27 ILE MG 1 31 GLU HB3 3.640 . 3.640 2.450 2.225 2.770 . 0 0 "[ . 1 . 2]" 1
347 1 27 ILE MG 1 31 GLU HB2 3.870 . 3.870 2.590 2.178 3.833 . 0 0 "[ . 1 . 2]" 1
348 1 27 ILE MG 1 31 GLU QG 4.730 . 4.730 3.710 2.320 4.113 . 0 0 "[ . 1 . 2]" 1
349 1 27 ILE MG 1 32 LEU HA 3.310 . 3.310 2.714 2.307 2.935 . 0 0 "[ . 1 . 2]" 1
350 1 27 ILE MG 1 32 LEU H 3.910 . 3.910 2.728 2.427 2.938 . 0 0 "[ . 1 . 2]" 1
351 1 27 ILE MG 1 32 LEU QB 3.230 . 3.230 2.311 2.168 2.546 . 0 0 "[ . 1 . 2]" 1
352 1 27 ILE MG 1 32 LEU HB3 4.030 . 4.030 3.732 3.411 4.033 0.003 19 0 "[ . 1 . 2]" 1
353 1 27 ILE MG 1 32 LEU HB2 4.030 . 4.030 2.333 2.193 2.574 . 0 0 "[ . 1 . 2]" 1
354 1 27 ILE MG 1 63 ILE HB 4.910 . 4.910 3.696 3.245 3.997 . 0 0 "[ . 1 . 2]" 1
355 1 28 THR HA 1 28 THR MG 3.210 . 3.210 2.403 2.241 3.158 . 0 0 "[ . 1 . 2]" 1
356 1 28 THR HA 1 29 VAL H 3.440 . 3.440 2.433 2.339 2.478 . 0 0 "[ . 1 . 2]" 1
357 1 28 THR HA 1 29 VAL QG 5.210 . 5.210 3.718 3.428 4.007 . 0 0 "[ . 1 . 2]" 1
358 1 28 THR HA 1 31 GLU H 4.830 . 4.830 4.561 4.496 4.661 . 0 0 "[ . 1 . 2]" 1
359 1 28 THR HA 1 62 THR MG 3.460 . 3.460 2.408 2.307 2.527 . 0 0 "[ . 1 . 2]" 1
360 1 28 THR HB 1 29 VAL QG 5.440 . 5.440 3.753 3.014 4.816 . 0 0 "[ . 1 . 2]" 1
361 1 28 THR HB 1 30 GLU H 4.530 . 4.530 3.194 2.681 4.466 . 0 0 "[ . 1 . 2]" 1
362 1 28 THR HB 1 30 GLU QB 5.150 . 5.150 3.667 2.965 4.758 . 0 0 "[ . 1 . 2]" 1
363 1 28 THR HB 1 31 GLU H 4.900 . 4.900 3.398 2.379 4.703 . 0 0 "[ . 1 . 2]" 1
364 1 28 THR HB 1 62 THR MG 5.500 . 5.500 3.702 2.538 4.804 . 0 0 "[ . 1 . 2]" 1
365 1 28 THR H 1 28 THR MG 3.850 . 3.850 2.760 1.759 3.788 . 0 0 "[ . 1 . 2]" 1
366 1 28 THR H 1 29 VAL H 5.500 . 5.500 4.622 4.605 4.643 . 0 0 "[ . 1 . 2]" 1
367 1 28 THR H 1 31 GLU HB3 3.820 . 3.820 3.467 2.390 3.958 0.138 16 0 "[ . 1 . 2]" 1
368 1 28 THR H 1 63 ILE H 5.020 . 5.020 4.889 4.754 5.016 . 0 0 "[ . 1 . 2]" 1
369 1 28 THR MG 1 29 VAL HA 5.500 . 5.500 4.997 3.913 5.695 0.195 7 0 "[ . 1 . 2]" 1
370 1 28 THR MG 1 29 VAL H 4.830 . 4.830 3.081 1.780 3.982 . 0 0 "[ . 1 . 2]" 1
371 1 28 THR MG 1 31 GLU H 5.500 . 5.500 3.724 1.871 4.449 . 0 0 "[ . 1 . 2]" 1
372 1 28 THR MG 1 62 THR HB 5.500 . 5.500 3.936 3.170 5.151 . 0 0 "[ . 1 . 2]" 1
373 1 29 VAL HA 1 32 LEU H 5.190 . 5.190 3.297 3.179 3.437 . 0 0 "[ . 1 . 2]" 1
374 1 29 VAL HA 1 32 LEU QB 4.090 . 4.090 2.517 2.337 2.704 . 0 0 "[ . 1 . 2]" 1
375 1 29 VAL HA 1 32 LEU QD 4.580 . 4.580 3.702 3.280 4.331 . 0 0 "[ . 1 . 2]" 1
376 1 29 VAL HA 1 33 ALA MB 5.500 . 5.500 4.647 4.421 4.924 . 0 0 "[ . 1 . 2]" 1
377 1 29 VAL HA 1 33 ALA H 5.500 . 5.500 3.851 3.628 4.046 . 0 0 "[ . 1 . 2]" 1
378 1 29 VAL HA 1 52 ILE MD 4.030 . 4.030 2.470 2.172 2.817 . 0 0 "[ . 1 . 2]" 1
379 1 29 VAL H 1 29 VAL HB 4.020 . 4.020 2.924 2.547 3.594 . 0 0 "[ . 1 . 2]" 1
380 1 29 VAL H 1 29 VAL QG 3.850 . 3.850 1.925 1.830 2.191 . 0 0 "[ . 1 . 2]" 1
381 1 29 VAL H 1 30 GLU H 4.810 . 4.810 2.779 2.710 2.847 . 0 0 "[ . 1 . 2]" 1
382 1 29 VAL H 1 32 LEU H 5.500 . 5.500 4.635 4.534 4.792 . 0 0 "[ . 1 . 2]" 1
383 1 29 VAL H 1 52 ILE MD 5.500 . 5.500 4.005 3.608 4.286 . 0 0 "[ . 1 . 2]" 1
384 1 29 VAL H 1 62 THR H 5.500 . 5.500 5.701 5.630 5.790 0.290 9 0 "[ . 1 . 2]" 1
385 1 29 VAL QG 1 30 GLU H 3.900 . 3.900 2.347 1.779 3.251 . 0 0 "[ . 1 . 2]" 1
386 1 29 VAL QG 1 30 GLU QG 4.880 . 4.880 3.062 2.187 4.984 0.104 6 0 "[ . 1 . 2]" 1
387 1 29 VAL MG1 1 30 GLU H 4.550 . 4.550 2.982 1.967 3.742 . 0 0 "[ . 1 . 2]" 1
388 1 29 VAL MG2 1 30 GLU H 4.550 . 4.550 3.067 1.783 3.845 . 0 0 "[ . 1 . 2]" 1
389 1 30 GLU HA 1 30 GLU QG 2.720 . 2.720 2.409 2.238 2.757 0.037 16 0 "[ . 1 . 2]" 1
390 1 30 GLU HA 1 30 GLU HG3 3.210 . 3.210 3.006 2.264 3.650 0.440 15 0 "[ . 1 . 2]" 1
391 1 30 GLU HA 1 30 GLU HG2 3.210 . 3.210 2.717 2.335 3.536 0.326 8 0 "[ . 1 . 2]" 1
392 1 30 GLU HA 1 33 ALA H 3.820 . 3.820 3.554 3.391 3.694 . 0 0 "[ . 1 . 2]" 1
393 1 30 GLU HA 1 33 ALA MB 3.460 . 3.460 2.714 2.510 2.860 . 0 0 "[ . 1 . 2]" 1
394 1 30 GLU H 1 30 GLU QB 2.710 . 2.710 2.311 2.070 2.396 . 0 0 "[ . 1 . 2]" 1
395 1 30 GLU H 1 30 GLU QG 3.570 . 3.570 2.729 2.181 3.925 0.355 5 0 "[ . 1 . 2]" 1
396 1 30 GLU H 1 31 GLU H 4.750 . 4.750 2.663 2.556 2.788 . 0 0 "[ . 1 . 2]" 1
397 1 30 GLU H 1 31 GLU QB 5.330 . 5.330 4.561 4.436 4.668 . 0 0 "[ . 1 . 2]" 1
398 1 30 GLU QB 1 31 GLU H 3.510 . 3.510 2.573 2.497 2.685 . 0 0 "[ . 1 . 2]" 1
399 1 31 GLU HA 1 31 GLU HB2 2.950 . 2.950 2.913 2.476 3.023 0.073 1 0 "[ . 1 . 2]" 1
400 1 31 GLU HA 1 31 GLU QG 2.930 . 2.930 2.332 2.263 2.378 . 0 0 "[ . 1 . 2]" 1
401 1 31 GLU HA 1 34 THR HB 3.820 . 3.820 2.636 2.461 2.802 . 0 0 "[ . 1 . 2]" 1
402 1 31 GLU HA 1 34 THR H 3.630 . 3.630 3.309 3.208 3.399 . 0 0 "[ . 1 . 2]" 1
403 1 31 GLU HA 1 34 THR MG 4.440 . 4.440 4.018 3.869 4.170 . 0 0 "[ . 1 . 2]" 1
404 1 31 GLU HA 1 35 VAL H 4.500 . 4.500 4.348 4.134 4.553 0.053 1 0 "[ . 1 . 2]" 1
405 1 31 GLU H 1 31 GLU HB3 3.450 . 3.450 3.361 2.523 3.570 0.120 18 0 "[ . 1 . 2]" 1
406 1 31 GLU H 1 31 GLU QG 3.980 . 3.980 2.648 2.221 3.964 . 0 0 "[ . 1 . 2]" 1
407 1 31 GLU H 1 32 LEU H 3.850 . 3.850 2.545 2.480 2.626 . 0 0 "[ . 1 . 2]" 1
408 1 31 GLU H 1 32 LEU QB 5.340 . 5.340 4.336 4.266 4.401 . 0 0 "[ . 1 . 2]" 1
409 1 31 GLU H 1 33 ALA MB 5.500 . 5.500 4.708 4.611 4.776 . 0 0 "[ . 1 . 2]" 1
410 1 31 GLU HB3 1 32 LEU H 4.140 . 4.140 3.402 2.652 3.676 . 0 0 "[ . 1 . 2]" 1
411 1 32 LEU HA 1 32 LEU MD1 3.740 . 3.740 2.429 2.204 3.780 0.040 17 0 "[ . 1 . 2]" 1
412 1 32 LEU HA 1 32 LEU MD2 3.740 . 3.740 3.009 2.047 3.885 0.145 1 0 "[ . 1 . 2]" 1
413 1 32 LEU HA 1 35 VAL HB 2.460 . 2.460 2.671 2.565 2.770 0.310 13 0 "[ . 1 . 2]" 1
414 1 32 LEU HA 1 35 VAL H 3.690 . 3.690 3.211 3.128 3.278 . 0 0 "[ . 1 . 2]" 1
415 1 32 LEU HA 1 35 VAL MG1 5.500 . 5.500 4.160 4.053 4.264 . 0 0 "[ . 1 . 2]" 1
416 1 32 LEU HA 1 35 VAL MG2 4.300 . 4.300 3.175 2.935 3.255 . 0 0 "[ . 1 . 2]" 1
417 1 32 LEU HA 1 36 ILE H 4.500 . 4.500 3.939 3.805 4.068 . 0 0 "[ . 1 . 2]" 1
418 1 32 LEU H 1 32 LEU HB3 3.600 . 3.600 2.702 2.484 2.902 . 0 0 "[ . 1 . 2]" 1
419 1 32 LEU H 1 32 LEU HB2 3.600 . 3.600 2.446 2.257 2.645 . 0 0 "[ . 1 . 2]" 1
420 1 32 LEU H 1 33 ALA H 3.530 . 3.530 2.626 2.565 2.696 . 0 0 "[ . 1 . 2]" 1
421 1 32 LEU H 1 35 VAL MG2 5.500 . 5.500 4.884 4.606 5.028 . 0 0 "[ . 1 . 2]" 1
422 1 32 LEU QB 1 33 ALA H 3.630 . 3.630 2.471 2.418 2.514 . 0 0 "[ . 1 . 2]" 1
423 1 32 LEU QD 1 33 ALA HA 4.630 . 4.630 3.589 2.450 4.172 . 0 0 "[ . 1 . 2]" 1
424 1 32 LEU QD 1 33 ALA H 4.390 . 4.390 3.549 2.645 3.854 . 0 0 "[ . 1 . 2]" 1
425 1 32 LEU QD 1 34 THR H 5.440 . 5.440 4.838 4.114 5.292 . 0 0 "[ . 1 . 2]" 1
426 1 32 LEU QD 1 36 ILE H 4.040 . 4.040 3.383 2.591 4.143 0.103 12 0 "[ . 1 . 2]" 1
427 1 32 LEU QD 1 63 ILE HB 5.440 . 5.440 3.900 3.344 5.021 . 0 0 "[ . 1 . 2]" 1
428 1 32 LEU MD1 1 35 VAL H 5.500 . 5.500 4.372 3.656 5.936 0.436 17 0 "[ . 1 . 2]" 1
429 1 32 LEU MD2 1 35 VAL H 5.500 . 5.500 5.127 3.647 5.884 0.384 9 0 "[ . 1 . 2]" 1
430 1 33 ALA HA 1 36 ILE HB 4.190 . 4.190 2.645 2.477 3.042 . 0 0 "[ . 1 . 2]" 1
431 1 33 ALA HA 1 36 ILE H 3.980 . 3.980 3.479 3.408 3.614 . 0 0 "[ . 1 . 2]" 1
432 1 33 ALA HA 1 37 ARG H 4.380 . 4.380 3.694 3.459 3.981 . 0 0 "[ . 1 . 2]" 1
433 1 33 ALA HA 1 48 LEU HG 5.220 . 5.220 4.637 3.690 5.311 0.091 13 0 "[ . 1 . 2]" 1
434 1 33 ALA HA 1 48 LEU QD 4.990 . 4.990 2.537 2.221 3.021 . 0 0 "[ . 1 . 2]" 1
435 1 33 ALA H 1 33 ALA MB 3.140 . 3.140 2.226 2.192 2.251 . 0 0 "[ . 1 . 2]" 1
436 1 33 ALA H 1 34 THR H 4.430 . 4.430 2.756 2.726 2.794 . 0 0 "[ . 1 . 2]" 1
437 1 33 ALA H 1 48 LEU QD 4.580 . 4.580 3.309 2.847 3.762 . 0 0 "[ . 1 . 2]" 1
438 1 33 ALA MB 1 34 THR HA 5.500 . 5.500 3.823 3.768 3.856 . 0 0 "[ . 1 . 2]" 1
439 1 33 ALA MB 1 34 THR HB 5.500 . 5.500 4.450 4.392 4.497 . 0 0 "[ . 1 . 2]" 1
440 1 33 ALA MB 1 34 THR H 3.630 . 3.630 2.539 2.474 2.577 . 0 0 "[ . 1 . 2]" 1
441 1 33 ALA MB 1 35 VAL H 5.500 . 5.500 4.554 4.503 4.598 . 0 0 "[ . 1 . 2]" 1
442 1 33 ALA MB 1 37 ARG H 5.500 . 5.500 4.328 4.201 4.551 . 0 0 "[ . 1 . 2]" 1
443 1 34 THR HA 1 34 THR MG 3.750 . 3.750 2.508 2.480 2.529 . 0 0 "[ . 1 . 2]" 1
444 1 34 THR HA 1 37 ARG H 4.310 . 4.310 3.503 3.406 3.615 . 0 0 "[ . 1 . 2]" 1
445 1 34 THR HA 1 37 ARG QB 4.180 . 4.180 2.388 2.272 2.541 . 0 0 "[ . 1 . 2]" 1
446 1 34 THR HA 1 37 ARG HD3 4.500 . 4.500 3.968 3.353 4.885 0.385 17 0 "[ . 1 . 2]" 1
447 1 34 THR HA 1 37 ARG HD2 4.500 . 4.500 4.000 2.458 4.921 0.421 14 0 "[ . 1 . 2]" 1
448 1 34 THR HA 1 37 ARG QG 4.290 . 4.290 4.218 3.563 4.462 0.172 3 0 "[ . 1 . 2]" 1
449 1 34 THR HA 1 38 SER H 4.650 . 4.650 4.170 3.942 4.379 . 0 0 "[ . 1 . 2]" 1
450 1 34 THR HB 1 35 VAL H 3.890 . 3.890 2.777 2.724 2.863 . 0 0 "[ . 1 . 2]" 1
451 1 34 THR HB 1 35 VAL MG2 5.500 . 5.500 3.529 3.461 3.613 . 0 0 "[ . 1 . 2]" 1
452 1 34 THR H 1 34 THR HB 3.630 . 3.630 2.330 2.302 2.353 . 0 0 "[ . 1 . 2]" 1
453 1 34 THR H 1 34 THR MG 4.540 . 4.540 3.725 3.710 3.738 . 0 0 "[ . 1 . 2]" 1
454 1 34 THR H 1 35 VAL HB 5.300 . 5.300 4.847 4.794 4.883 . 0 0 "[ . 1 . 2]" 1
455 1 34 THR H 1 35 VAL H 2.940 . 2.940 2.694 2.639 2.740 . 0 0 "[ . 1 . 2]" 1
456 1 34 THR H 1 37 ARG QB 5.340 . 5.340 4.441 4.258 4.836 . 0 0 "[ . 1 . 2]" 1
457 1 34 THR H 1 48 LEU QD 5.440 . 5.440 4.917 4.665 5.312 . 0 0 "[ . 1 . 2]" 1
458 1 34 THR MG 1 35 VAL HA 5.500 . 5.500 3.277 3.227 3.350 . 0 0 "[ . 1 . 2]" 1
459 1 34 THR MG 1 35 VAL H 5.500 . 5.500 3.204 3.102 3.310 . 0 0 "[ . 1 . 2]" 1
460 1 35 VAL HA 1 38 SER HB3 4.500 . 4.500 3.839 2.869 4.638 0.138 16 0 "[ . 1 . 2]" 1
461 1 35 VAL HA 1 38 SER HB2 4.500 . 4.500 3.433 2.854 4.405 . 0 0 "[ . 1 . 2]" 1
462 1 35 VAL HA 1 38 SER H 4.500 . 4.500 3.496 3.402 3.602 . 0 0 "[ . 1 . 2]" 1
463 1 35 VAL HB 1 36 ILE HA 4.410 . 4.410 4.464 4.432 4.497 0.087 10 0 "[ . 1 . 2]" 1
464 1 35 VAL H 1 35 VAL HB 3.340 . 3.340 2.428 2.400 2.457 . 0 0 "[ . 1 . 2]" 1
465 1 35 VAL H 1 35 VAL MG2 3.570 . 3.570 2.326 2.278 2.393 . 0 0 "[ . 1 . 2]" 1
466 1 35 VAL H 1 36 ILE H 4.000 . 4.000 2.686 2.649 2.723 . 0 0 "[ . 1 . 2]" 1
467 1 35 VAL H 1 36 ILE QG 5.340 . 5.340 4.517 4.069 5.614 0.274 1 0 "[ . 1 . 2]" 1
468 1 35 VAL MG1 1 36 ILE HA 5.500 . 5.500 3.271 3.232 3.317 . 0 0 "[ . 1 . 2]" 1
469 1 35 VAL MG1 1 36 ILE H 5.500 . 5.500 3.180 3.127 3.237 . 0 0 "[ . 1 . 2]" 1
470 1 35 VAL MG1 1 36 ILE QG 4.620 . 4.620 3.299 3.096 4.095 . 0 0 "[ . 1 . 2]" 1
471 1 35 VAL MG1 1 39 LEU HB2 4.740 . 4.740 4.180 3.140 4.789 0.049 17 0 "[ . 1 . 2]" 1
472 1 35 VAL MG1 1 39 LEU MD1 5.000 . 5.000 2.573 2.174 3.175 . 0 0 "[ . 1 . 2]" 1
473 1 35 VAL MG1 1 39 LEU MD2 5.000 . 5.000 3.804 3.414 5.092 0.092 20 0 "[ . 1 . 2]" 1
474 1 36 ILE HA 1 39 LEU MD1 3.600 . 3.600 2.555 2.194 3.801 0.201 9 0 "[ . 1 . 2]" 1
475 1 36 ILE HA 1 39 LEU HG 4.500 . 4.500 3.652 2.775 4.778 0.278 19 0 "[ . 1 . 2]" 1
476 1 36 ILE HA 1 39 LEU H 4.500 . 4.500 3.172 3.049 3.263 . 0 0 "[ . 1 . 2]" 1
477 1 36 ILE HA 1 39 LEU HB3 4.880 . 4.880 3.751 2.290 4.334 . 0 0 "[ . 1 . 2]" 1
478 1 36 ILE HB 1 37 ARG H 2.870 . 2.870 2.741 2.565 2.878 0.008 4 0 "[ . 1 . 2]" 1
479 1 36 ILE HB 1 42 ASN HA 4.950 . 4.950 4.344 3.867 4.923 . 0 0 "[ . 1 . 2]" 1
480 1 36 ILE H 1 36 ILE HB 3.190 . 3.190 2.428 2.268 2.591 . 0 0 "[ . 1 . 2]" 1
481 1 36 ILE H 1 36 ILE HG13 3.620 . 3.620 3.108 2.002 3.878 0.258 1 0 "[ . 1 . 2]" 1
482 1 36 ILE H 1 36 ILE HG12 3.620 . 3.620 2.804 1.977 3.714 0.094 1 0 "[ . 1 . 2]" 1
483 1 36 ILE H 1 36 ILE MG 4.440 . 4.440 3.738 3.675 3.772 . 0 0 "[ . 1 . 2]" 1
484 1 36 ILE QG 1 37 ARG H 5.340 . 5.340 4.145 3.890 4.565 . 0 0 "[ . 1 . 2]" 1
485 1 36 ILE QG 1 36 ILE MG 3.270 . 3.270 2.361 2.115 2.462 . 0 0 "[ . 1 . 2]" 1
486 1 36 ILE HG13 1 36 ILE MG 3.730 . 3.730 2.711 2.334 3.204 . 0 0 "[ . 1 . 2]" 1
487 1 36 ILE HG12 1 36 ILE MG 3.730 . 3.730 2.881 2.271 3.193 . 0 0 "[ . 1 . 2]" 1
488 1 36 ILE MG 1 37 ARG HA 5.500 . 5.500 3.435 3.172 3.750 . 0 0 "[ . 1 . 2]" 1
489 1 36 ILE MG 1 37 ARG H 4.870 . 4.870 3.386 3.141 3.657 . 0 0 "[ . 1 . 2]" 1
490 1 36 ILE MG 1 39 LEU HB2 4.480 . 4.480 3.471 3.173 4.194 . 0 0 "[ . 1 . 2]" 1
491 1 36 ILE MG 1 40 ASP H 5.500 . 5.500 4.642 3.991 5.446 . 0 0 "[ . 1 . 2]" 1
492 1 36 ILE MG 1 41 GLN H 5.500 . 5.500 3.417 3.079 3.685 . 0 0 "[ . 1 . 2]" 1
493 1 36 ILE MG 1 41 GLN QG 3.680 . 3.680 3.199 1.947 4.068 0.388 13 0 "[ . 1 . 2]" 1
494 1 36 ILE MG 1 42 ASN HA 5.500 . 5.500 2.716 2.239 3.418 . 0 0 "[ . 1 . 2]" 1
495 1 36 ILE MG 1 43 PRO HA 5.500 . 5.500 5.231 5.011 5.581 0.081 14 0 "[ . 1 . 2]" 1
496 1 36 ILE MG 1 43 PRO QD 4.060 . 4.060 2.011 1.845 2.302 . 0 0 "[ . 1 . 2]" 1
497 1 36 ILE MG 1 43 PRO QG 3.330 . 3.330 2.668 2.237 3.054 . 0 0 "[ . 1 . 2]" 1
498 1 37 ARG HA 1 37 ARG HD3 5.500 . 5.500 4.566 4.200 4.875 . 0 0 "[ . 1 . 2]" 1
499 1 37 ARG HA 1 37 ARG HD2 5.500 . 5.500 4.444 4.150 4.874 . 0 0 "[ . 1 . 2]" 1
500 1 37 ARG HA 1 40 ASP H 4.760 . 4.760 4.233 3.744 4.739 . 0 0 "[ . 1 . 2]" 1
501 1 37 ARG HA 1 41 GLN H 3.960 . 3.960 3.643 3.469 3.986 0.026 9 0 "[ . 1 . 2]" 1
502 1 37 ARG H 1 37 ARG QB 2.950 . 2.950 2.244 2.217 2.326 . 0 0 "[ . 1 . 2]" 1
503 1 37 ARG H 1 38 SER H 4.330 . 4.330 2.704 2.644 2.773 . 0 0 "[ . 1 . 2]" 1
504 1 37 ARG QG 1 38 SER H 3.640 . 3.640 3.549 3.386 4.092 0.452 5 0 "[ . 1 . 2]" 1
505 1 37 ARG HG3 1 38 SER H 4.440 . 4.440 4.551 4.376 4.649 0.209 10 0 "[ . 1 . 2]" 1
506 1 37 ARG HG2 1 38 SER H 4.440 . 4.440 3.749 3.502 4.912 0.472 5 0 "[ . 1 . 2]" 1
507 1 38 SER H 1 38 SER QB 3.590 . 3.590 2.327 2.237 2.917 . 0 0 "[ . 1 . 2]" 1
508 1 38 SER H 1 38 SER HB3 4.200 . 4.200 3.053 2.516 3.590 . 0 0 "[ . 1 . 2]" 1
509 1 38 SER H 1 38 SER HB2 4.200 . 4.200 2.484 2.283 3.430 . 0 0 "[ . 1 . 2]" 1
510 1 38 SER H 1 39 LEU H 2.550 . 2.550 2.538 2.327 2.647 0.097 15 0 "[ . 1 . 2]" 1
511 1 38 SER QB 1 39 LEU HB3 5.340 . 5.340 5.447 5.295 5.640 0.300 4 0 "[ . 1 . 2]" 1
512 1 38 SER HB3 1 39 LEU H 5.500 . 5.500 3.266 2.618 4.225 . 0 0 "[ . 1 . 2]" 1
513 1 38 SER HB2 1 39 LEU H 5.500 . 5.500 3.479 2.744 4.226 . 0 0 "[ . 1 . 2]" 1
514 1 39 LEU HA 1 39 LEU HG 4.000 . 4.000 2.721 2.224 3.047 . 0 0 "[ . 1 . 2]" 1
515 1 39 LEU HA 1 39 LEU QD 3.400 . 3.400 2.253 2.073 3.002 . 0 0 "[ . 1 . 2]" 1
516 1 39 LEU HA 1 39 LEU MD1 4.010 . 4.010 3.547 2.238 3.831 . 0 0 "[ . 1 . 2]" 1
517 1 39 LEU HA 1 39 LEU MD2 4.010 . 4.010 2.513 2.082 3.850 . 0 0 "[ . 1 . 2]" 1
518 1 39 LEU HG 1 40 ASP H 4.650 . 4.650 4.634 3.956 5.089 0.439 16 0 "[ . 1 . 2]" 1
519 1 39 LEU H 1 39 LEU HB3 3.310 . 3.310 3.322 2.472 3.576 0.266 15 0 "[ . 1 . 2]" 1
520 1 39 LEU H 1 39 LEU HB2 3.180 . 3.180 2.379 2.164 2.539 . 0 0 "[ . 1 . 2]" 1
521 1 39 LEU H 1 39 LEU MD1 4.940 . 4.940 3.609 2.114 4.274 . 0 0 "[ . 1 . 2]" 1
522 1 39 LEU H 1 39 LEU MD2 4.940 . 4.940 3.705 3.180 4.295 . 0 0 "[ . 1 . 2]" 1
523 1 39 LEU H 1 40 ASP H 3.900 . 3.900 2.904 2.707 3.124 . 0 0 "[ . 1 . 2]" 1
524 1 39 LEU H 1 41 GLN H 4.920 . 4.920 3.874 3.649 4.132 . 0 0 "[ . 1 . 2]" 1
525 1 39 LEU HB3 1 39 LEU QD 3.090 . 3.090 2.098 2.053 2.223 . 0 0 "[ . 1 . 2]" 1
526 1 39 LEU HB3 1 39 LEU MD1 3.630 . 3.630 2.572 2.341 3.184 . 0 0 "[ . 1 . 2]" 1
527 1 39 LEU HB3 1 39 LEU MD2 3.630 . 3.630 2.249 2.160 2.280 . 0 0 "[ . 1 . 2]" 1
528 1 39 LEU HB2 1 40 ASP QB 4.980 . 4.980 4.912 4.389 5.364 0.384 4 0 "[ . 1 . 2]" 1
529 1 39 LEU MD1 1 40 ASP H 5.500 . 5.500 4.938 4.365 5.513 0.013 1 0 "[ . 1 . 2]" 1
530 1 39 LEU MD2 1 40 ASP H 5.500 . 5.500 4.439 3.049 5.576 0.076 16 0 "[ . 1 . 2]" 1
531 1 40 ASP H 1 40 ASP QB 3.630 . 3.630 3.298 2.957 3.552 . 0 0 "[ . 1 . 2]" 1
532 1 40 ASP H 1 41 GLN H 3.780 . 3.780 2.108 1.652 2.740 . 0 0 "[ . 1 . 2]" 1
533 1 40 ASP QB 1 41 GLN H 4.480 . 4.480 3.668 3.434 4.021 . 0 0 "[ . 1 . 2]" 1
534 1 41 GLN H 1 41 GLN QB 3.410 . 3.410 2.840 2.552 3.293 . 0 0 "[ . 1 . 2]" 1
535 1 41 GLN H 1 41 GLN QG 4.710 . 4.710 3.112 2.059 4.243 . 0 0 "[ . 1 . 2]" 1
536 1 41 GLN QB 1 42 ASN H 4.000 . 4.000 2.843 2.257 3.600 . 0 0 "[ . 1 . 2]" 1
537 1 41 GLN QG 1 42 ASN H 5.340 . 5.340 3.512 2.016 4.523 . 0 0 "[ . 1 . 2]" 1
538 1 41 GLN QG 1 43 PRO QD 4.760 . 4.760 3.466 2.273 4.771 0.011 10 0 "[ . 1 . 2]" 1
539 1 42 ASN HA 1 43 PRO QD 3.440 . 3.440 2.213 2.143 2.300 . 0 0 "[ . 1 . 2]" 1
540 1 42 ASN HA 1 43 PRO HD3 4.030 . 4.030 2.431 2.310 2.579 . 0 0 "[ . 1 . 2]" 1
541 1 42 ASN HA 1 43 PRO HD2 4.030 . 4.030 2.555 2.372 2.666 . 0 0 "[ . 1 . 2]" 1
542 1 42 ASN HA 1 43 PRO QG 5.060 . 5.060 4.126 4.054 4.213 . 0 0 "[ . 1 . 2]" 1
543 1 43 PRO HA 1 44 THR H 3.090 . 3.090 2.465 2.340 2.629 . 0 0 "[ . 1 . 2]" 1
544 1 43 PRO HA 1 44 THR MG 5.500 . 5.500 4.189 3.428 5.557 0.057 4 0 "[ . 1 . 2]" 1
545 1 43 PRO HA 1 48 LEU QD 5.440 . 5.440 4.389 4.058 5.077 . 0 0 "[ . 1 . 2]" 1
546 1 43 PRO HB3 1 44 THR H 3.720 . 3.720 3.017 2.693 3.283 . 0 0 "[ . 1 . 2]" 1
547 1 43 PRO HB3 1 47 GLU H 4.540 . 4.540 4.702 4.613 4.803 0.263 15 0 "[ . 1 . 2]" 1
548 1 43 PRO QG 1 48 LEU QD 3.250 . 3.250 2.817 2.473 3.327 0.077 1 0 "[ . 1 . 2]" 1
549 1 44 THR HA 1 44 THR HB 2.770 . 2.770 2.659 2.413 3.002 0.232 5 0 "[ . 1 . 2]" 1
550 1 44 THR HA 1 44 THR MG 3.490 . 3.490 2.305 2.220 2.438 . 0 0 "[ . 1 . 2]" 1
551 1 44 THR HA 1 45 GLU H 3.110 . 3.110 2.326 2.237 2.433 . 0 0 "[ . 1 . 2]" 1
552 1 44 THR HA 1 46 GLU H 5.500 . 5.500 4.338 3.919 4.562 . 0 0 "[ . 1 . 2]" 1
553 1 44 THR HA 1 48 LEU QD 4.540 . 4.540 3.933 3.447 4.697 0.157 13 0 "[ . 1 . 2]" 1
554 1 44 THR HB 1 45 GLU H 3.310 . 3.310 2.917 2.429 3.544 0.234 4 0 "[ . 1 . 2]" 1
555 1 44 THR HB 1 45 GLU QB 5.340 . 5.340 4.218 3.839 4.984 . 0 0 "[ . 1 . 2]" 1
556 1 44 THR HB 1 46 GLU H 3.990 . 3.990 2.969 2.443 3.408 . 0 0 "[ . 1 . 2]" 1
557 1 44 THR HB 1 46 GLU HB2 5.260 . 5.260 4.242 3.345 5.263 0.003 4 0 "[ . 1 . 2]" 1
558 1 44 THR HB 1 46 GLU QG 4.320 . 4.320 2.732 2.256 4.563 0.243 11 0 "[ . 1 . 2]" 1
559 1 44 THR H 1 44 THR MG 3.590 . 3.590 2.824 2.153 3.753 0.163 19 0 "[ . 1 . 2]" 1
560 1 44 THR H 1 46 GLU QG 4.500 . 4.500 4.640 3.893 4.890 0.390 11 0 "[ . 1 . 2]" 1
561 1 44 THR H 1 47 GLU H 5.500 . 5.500 3.509 3.405 3.615 . 0 0 "[ . 1 . 2]" 1
562 1 44 THR H 1 47 GLU QG 4.840 . 4.840 3.542 2.930 4.742 . 0 0 "[ . 1 . 2]" 1
563 1 44 THR MG 1 45 GLU H 4.450 . 4.450 3.148 1.692 3.889 . 0 0 "[ . 1 . 2]" 1
564 1 44 THR MG 1 46 GLU H 5.500 . 5.500 3.809 1.855 4.577 . 0 0 "[ . 1 . 2]" 1
565 1 44 THR MG 1 47 GLU H 5.500 . 5.500 4.371 3.349 4.744 . 0 0 "[ . 1 . 2]" 1
566 1 45 GLU HA 1 45 GLU QG 2.720 . 2.720 2.382 2.265 2.801 0.081 3 0 "[ . 1 . 2]" 1
567 1 45 GLU HA 1 48 LEU H 4.020 . 4.020 3.423 3.238 3.822 . 0 0 "[ . 1 . 2]" 1
568 1 45 GLU HA 1 48 LEU HB3 3.270 . 3.270 3.457 2.477 3.672 0.402 2 0 "[ . 1 . 2]" 1
569 1 45 GLU HA 1 48 LEU QD 3.940 . 3.940 2.819 2.442 3.278 . 0 0 "[ . 1 . 2]" 1
570 1 45 GLU HA 1 49 GLN H 4.500 . 4.500 3.733 3.373 3.912 . 0 0 "[ . 1 . 2]" 1
571 1 45 GLU H 1 45 GLU QB 3.090 . 3.090 2.502 2.289 2.580 . 0 0 "[ . 1 . 2]" 1
572 1 45 GLU H 1 45 GLU QG 4.130 . 4.130 2.583 2.000 3.972 . 0 0 "[ . 1 . 2]" 1
573 1 45 GLU H 1 45 GLU HG3 4.760 . 4.760 2.910 2.068 4.377 . 0 0 "[ . 1 . 2]" 1
574 1 45 GLU H 1 45 GLU HG2 4.760 . 4.760 3.449 2.012 4.575 . 0 0 "[ . 1 . 2]" 1
575 1 45 GLU H 1 46 GLU H 3.270 . 3.270 2.966 2.873 3.033 . 0 0 "[ . 1 . 2]" 1
576 1 45 GLU QB 1 46 GLU H 3.050 . 3.050 2.515 2.354 2.859 . 0 0 "[ . 1 . 2]" 1
577 1 45 GLU HB3 1 46 GLU H 3.630 . 3.630 3.383 2.380 3.818 0.188 18 0 "[ . 1 . 2]" 1
578 1 45 GLU HB2 1 46 GLU H 3.630 . 3.630 2.771 2.473 3.742 0.112 1 0 "[ . 1 . 2]" 1
579 1 45 GLU QG 1 48 LEU QD 4.960 . 4.960 3.678 3.279 4.514 . 0 0 "[ . 1 . 2]" 1
580 1 46 GLU HA 1 46 GLU HB3 2.790 . 2.790 2.419 2.302 2.955 0.165 11 0 "[ . 1 . 2]" 1
581 1 46 GLU HA 1 46 GLU HB2 2.980 . 2.980 2.854 2.289 3.001 0.021 7 0 "[ . 1 . 2]" 1
582 1 46 GLU HA 1 46 GLU QG 3.460 . 3.460 3.005 2.705 3.355 . 0 0 "[ . 1 . 2]" 1
583 1 46 GLU HA 1 49 GLN H 3.700 . 3.700 3.597 3.485 3.728 0.028 11 0 "[ . 1 . 2]" 1
584 1 46 GLU HA 1 49 GLN QB 2.680 . 2.680 2.788 2.723 2.871 0.191 10 0 "[ . 1 . 2]" 1
585 1 46 GLU HA 1 50 ASP H 4.500 . 4.500 3.835 3.583 4.210 . 0 0 "[ . 1 . 2]" 1
586 1 46 GLU H 1 46 GLU HB2 2.940 . 2.940 3.060 2.973 3.489 0.549 4 1 "[ +. 1 . 2]" 1
587 1 46 GLU H 1 46 GLU QG 3.730 . 3.730 2.026 1.665 3.786 0.056 11 0 "[ . 1 . 2]" 1
588 1 46 GLU H 1 47 GLU H 3.940 . 3.940 2.975 2.772 3.133 . 0 0 "[ . 1 . 2]" 1
589 1 46 GLU HB3 1 47 GLU H 4.960 . 4.960 3.610 2.780 3.850 . 0 0 "[ . 1 . 2]" 1
590 1 46 GLU HB2 1 47 GLU H 5.130 . 5.130 2.634 2.120 4.061 . 0 0 "[ . 1 . 2]" 1
591 1 46 GLU QG 1 47 GLU H 3.070 . 3.070 2.975 1.771 3.232 0.162 7 0 "[ . 1 . 2]" 1
592 1 47 GLU HA 1 47 GLU QG 3.230 . 3.230 2.362 2.236 2.790 . 0 0 "[ . 1 . 2]" 1
593 1 47 GLU HA 1 50 ASP H 3.990 . 3.990 3.482 3.284 3.605 . 0 0 "[ . 1 . 2]" 1
594 1 47 GLU HA 1 50 ASP QB 3.860 . 3.860 2.573 2.315 2.866 . 0 0 "[ . 1 . 2]" 1
595 1 47 GLU HA 1 51 MET H 4.500 . 4.500 3.752 3.335 4.103 . 0 0 "[ . 1 . 2]" 1
596 1 47 GLU H 1 47 GLU QB 3.590 . 3.590 2.328 2.202 2.413 . 0 0 "[ . 1 . 2]" 1
597 1 47 GLU H 1 48 LEU H 3.370 . 3.370 2.681 2.562 2.779 . 0 0 "[ . 1 . 2]" 1
598 1 48 LEU HA 1 48 LEU QD 3.360 . 3.360 2.236 2.123 2.299 . 0 0 "[ . 1 . 2]" 1
599 1 48 LEU HA 1 51 MET H 3.990 . 3.990 3.593 3.404 3.790 . 0 0 "[ . 1 . 2]" 1
600 1 48 LEU HA 1 51 MET QB 3.470 . 3.470 2.660 2.477 2.905 . 0 0 "[ . 1 . 2]" 1
601 1 48 LEU HA 1 52 ILE H 4.520 . 4.520 3.751 3.483 4.123 . 0 0 "[ . 1 . 2]" 1
602 1 48 LEU HA 1 52 ILE MD 4.320 . 4.320 3.829 3.541 4.232 . 0 0 "[ . 1 . 2]" 1
603 1 48 LEU H 1 48 LEU HB3 3.470 . 3.470 3.393 2.578 3.523 0.053 12 0 "[ . 1 . 2]" 1
604 1 48 LEU H 1 48 LEU HB2 4.090 . 4.090 2.168 2.074 2.475 . 0 0 "[ . 1 . 2]" 1
605 1 48 LEU H 1 48 LEU QD 3.990 . 3.990 2.694 2.051 3.660 . 0 0 "[ . 1 . 2]" 1
606 1 48 LEU H 1 49 GLN H 3.220 . 3.220 2.682 2.659 2.712 . 0 0 "[ . 1 . 2]" 1
607 1 48 LEU HB3 1 49 GLN H 3.850 . 3.850 3.150 2.529 3.361 . 0 0 "[ . 1 . 2]" 1
608 1 48 LEU HB2 1 49 GLN H 4.570 . 4.570 2.898 2.648 3.810 . 0 0 "[ . 1 . 2]" 1
609 1 48 LEU QD 1 49 GLN H 5.440 . 5.440 3.984 3.818 4.135 . 0 0 "[ . 1 . 2]" 1
610 1 48 LEU QD 1 51 MET H 5.440 . 5.440 4.935 4.751 5.090 . 0 0 "[ . 1 . 2]" 1
611 1 49 GLN HA 1 49 GLN QG 2.610 . 2.610 2.440 2.269 2.752 0.142 17 0 "[ . 1 . 2]" 1
612 1 49 GLN HA 1 52 ILE HB 2.400 . 2.400 2.558 2.479 2.616 0.216 20 0 "[ . 1 . 2]" 1
613 1 49 GLN HA 1 52 ILE H 3.790 . 3.790 3.462 3.394 3.570 . 0 0 "[ . 1 . 2]" 1
614 1 49 GLN HA 1 52 ILE MD 4.070 . 4.070 2.993 2.784 3.246 . 0 0 "[ . 1 . 2]" 1
615 1 49 GLN HA 1 53 SER H 4.530 . 4.530 3.485 3.319 3.637 . 0 0 "[ . 1 . 2]" 1
616 1 49 GLN H 1 49 GLN QB 3.320 . 3.320 2.282 2.069 2.366 . 0 0 "[ . 1 . 2]" 1
617 1 49 GLN H 1 49 GLN QG 4.370 . 4.370 3.433 2.273 4.059 . 0 0 "[ . 1 . 2]" 1
618 1 49 GLN H 1 50 ASP QB 5.340 . 5.340 4.461 4.305 4.609 . 0 0 "[ . 1 . 2]" 1
619 1 49 GLN H 1 51 MET H 4.630 . 4.630 3.964 3.909 4.066 . 0 0 "[ . 1 . 2]" 1
620 1 49 GLN QB 1 50 ASP H 3.580 . 3.580 2.437 2.320 2.573 . 0 0 "[ . 1 . 2]" 1
621 1 49 GLN QG 1 53 SER H 5.340 . 5.340 4.328 3.652 5.572 0.232 5 0 "[ . 1 . 2]" 1
622 1 50 ASP HA 1 53 SER H 3.710 . 3.710 3.588 3.465 3.721 0.011 1 0 "[ . 1 . 2]" 1
623 1 50 ASP HA 1 53 SER QB 4.210 . 4.210 2.689 2.313 3.512 . 0 0 "[ . 1 . 2]" 1
624 1 50 ASP HA 1 54 GLU H 4.500 . 4.500 3.751 3.582 3.955 . 0 0 "[ . 1 . 2]" 1
625 1 50 ASP H 1 50 ASP QB 2.910 . 2.910 2.269 2.225 2.346 . 0 0 "[ . 1 . 2]" 1
626 1 50 ASP H 1 50 ASP HB3 3.540 . 3.540 2.832 2.490 3.571 0.031 17 0 "[ . 1 . 2]" 1
627 1 50 ASP H 1 50 ASP HB2 3.540 . 3.540 2.453 2.282 2.578 . 0 0 "[ . 1 . 2]" 1
628 1 50 ASP H 1 51 MET H 3.110 . 3.110 2.689 2.659 2.728 . 0 0 "[ . 1 . 2]" 1
629 1 50 ASP H 1 53 SER H 4.760 . 4.760 4.506 4.450 4.595 . 0 0 "[ . 1 . 2]" 1
630 1 50 ASP QB 1 51 MET H 4.280 . 4.280 2.671 2.598 2.780 . 0 0 "[ . 1 . 2]" 1
631 1 51 MET HA 1 51 MET ME 4.440 . 4.440 3.520 2.302 4.533 0.093 7 0 "[ . 1 . 2]" 1
632 1 51 MET HA 1 51 MET QG 3.520 . 3.520 2.455 2.222 2.717 . 0 0 "[ . 1 . 2]" 1
633 1 51 MET HA 1 54 GLU QB 2.540 . 2.540 2.679 2.577 2.746 0.206 2 0 "[ . 1 . 2]" 1
634 1 51 MET HA 1 54 GLU H 3.640 . 3.640 3.533 3.451 3.627 . 0 0 "[ . 1 . 2]" 1
635 1 51 MET H 1 51 MET QB 3.260 . 3.260 2.295 2.226 2.373 . 0 0 "[ . 1 . 2]" 1
636 1 51 MET H 1 51 MET ME 3.800 . 3.800 3.859 3.435 4.114 0.314 2 0 "[ . 1 . 2]" 1
637 1 51 MET H 1 51 MET QG 4.820 . 4.820 3.250 2.456 4.099 . 0 0 "[ . 1 . 2]" 1
638 1 51 MET H 1 54 GLU H 5.330 . 5.330 4.503 4.465 4.574 . 0 0 "[ . 1 . 2]" 1
639 1 51 MET QB 1 52 ILE H 3.770 . 3.770 2.497 2.418 2.589 . 0 0 "[ . 1 . 2]" 1
640 1 51 MET QB 1 63 ILE MD 5.340 . 5.340 5.186 4.592 5.521 0.181 16 0 "[ . 1 . 2]" 1
641 1 51 MET HG3 1 52 ILE H 5.500 . 5.500 4.628 3.969 5.053 . 0 0 "[ . 1 . 2]" 1
642 1 51 MET HG2 1 52 ILE H 5.500 . 5.500 4.436 3.521 5.103 . 0 0 "[ . 1 . 2]" 1
643 1 52 ILE HA 1 52 ILE MD 4.690 . 4.690 3.798 3.783 3.822 . 0 0 "[ . 1 . 2]" 1
644 1 52 ILE HA 1 55 VAL H 5.000 . 5.000 3.599 3.497 3.724 . 0 0 "[ . 1 . 2]" 1
645 1 52 ILE HA 1 55 VAL QG 4.450 . 4.450 2.501 2.184 4.025 . 0 0 "[ . 1 . 2]" 1
646 1 52 ILE HA 1 55 VAL MG1 5.240 . 5.240 2.774 2.200 5.066 . 0 0 "[ . 1 . 2]" 1
647 1 52 ILE HA 1 55 VAL MG2 5.240 . 5.240 4.578 2.195 5.145 . 0 0 "[ . 1 . 2]" 1
648 1 52 ILE HA 1 63 ILE MD 4.590 . 4.590 3.578 3.354 3.976 . 0 0 "[ . 1 . 2]" 1
649 1 52 ILE HA 1 63 ILE MG 4.790 . 4.790 4.705 4.486 4.892 0.102 1 0 "[ . 1 . 2]" 1
650 1 52 ILE HB 1 52 ILE MD 3.480 . 3.480 2.300 2.244 2.334 . 0 0 "[ . 1 . 2]" 1
651 1 52 ILE HB 1 53 SER H 3.580 . 3.580 2.597 2.529 2.628 . 0 0 "[ . 1 . 2]" 1
652 1 52 ILE H 1 52 ILE HB 3.250 . 3.250 2.394 2.364 2.409 . 0 0 "[ . 1 . 2]" 1
653 1 52 ILE H 1 52 ILE MD 4.440 . 4.440 3.447 3.382 3.510 . 0 0 "[ . 1 . 2]" 1
654 1 52 ILE H 1 52 ILE QG 3.800 . 3.800 2.345 2.312 2.426 . 0 0 "[ . 1 . 2]" 1
655 1 52 ILE H 1 52 ILE MG 4.220 . 4.220 3.743 3.735 3.751 . 0 0 "[ . 1 . 2]" 1
656 1 52 ILE H 1 53 SER H 3.900 . 3.900 2.633 2.607 2.688 . 0 0 "[ . 1 . 2]" 1
657 1 52 ILE MD 1 61 GLY QA 5.280 . 5.280 4.175 3.503 4.843 . 0 0 "[ . 1 . 2]" 1
658 1 52 ILE MD 1 62 THR HA 4.580 . 4.580 4.468 3.883 4.725 0.145 5 0 "[ . 1 . 2]" 1
659 1 52 ILE QG 1 63 ILE MG 4.230 . 4.230 4.398 4.261 4.574 0.344 5 0 "[ . 1 . 2]" 1
660 1 52 ILE MG 1 53 SER HA 5.020 . 5.020 3.286 3.220 3.315 . 0 0 "[ . 1 . 2]" 1
661 1 52 ILE MG 1 53 SER H 4.280 . 4.280 3.226 3.132 3.262 . 0 0 "[ . 1 . 2]" 1
662 1 52 ILE MG 1 56 ASP HA 4.670 . 4.670 4.111 3.914 4.333 . 0 0 "[ . 1 . 2]" 1
663 1 52 ILE MG 1 56 ASP H 4.400 . 4.400 3.434 3.309 3.639 . 0 0 "[ . 1 . 2]" 1
664 1 52 ILE MG 1 56 ASP HB3 4.150 . 4.150 3.143 2.705 3.521 . 0 0 "[ . 1 . 2]" 1
665 1 52 ILE MG 1 56 ASP HB2 4.070 . 4.070 2.157 2.063 2.269 . 0 0 "[ . 1 . 2]" 1
666 1 52 ILE MG 1 61 GLY H 5.500 . 5.500 3.906 3.331 4.514 . 0 0 "[ . 1 . 2]" 1
667 1 52 ILE MG 1 61 GLY QA 4.520 . 4.520 3.406 2.884 3.875 . 0 0 "[ . 1 . 2]" 1
668 1 52 ILE MG 1 61 GLY HA3 5.340 . 5.340 4.852 4.333 5.304 . 0 0 "[ . 1 . 2]" 1
669 1 52 ILE MG 1 61 GLY HA2 5.340 . 5.340 3.480 2.928 3.983 . 0 0 "[ . 1 . 2]" 1
670 1 52 ILE MG 1 62 THR HA 4.770 . 4.770 4.129 3.809 4.302 . 0 0 "[ . 1 . 2]" 1
671 1 52 ILE MG 1 62 THR H 5.500 . 5.500 4.086 3.775 4.373 . 0 0 "[ . 1 . 2]" 1
672 1 52 ILE MG 1 63 ILE HA 4.900 . 4.900 4.334 4.119 4.605 . 0 0 "[ . 1 . 2]" 1
673 1 52 ILE MG 1 63 ILE H 5.130 . 5.130 4.888 4.711 5.131 0.001 5 0 "[ . 1 . 2]" 1
674 1 53 SER HA 1 56 ASP H 4.660 . 4.660 3.091 2.851 3.370 . 0 0 "[ . 1 . 2]" 1
675 1 53 SER HA 1 56 ASP HB3 3.970 . 3.970 2.412 2.283 2.647 . 0 0 "[ . 1 . 2]" 1
676 1 53 SER HA 1 56 ASP HB2 5.500 . 5.500 3.147 2.635 4.022 . 0 0 "[ . 1 . 2]" 1
677 1 53 SER H 1 53 SER HB3 3.700 . 3.700 2.945 2.337 3.603 . 0 0 "[ . 1 . 2]" 1
678 1 53 SER H 1 53 SER HB2 3.700 . 3.700 2.807 2.344 3.602 . 0 0 "[ . 1 . 2]" 1
679 1 53 SER H 1 54 GLU H 3.950 . 3.950 2.702 2.616 2.753 . 0 0 "[ . 1 . 2]" 1
680 1 53 SER H 1 56 ASP HB2 5.500 . 5.500 4.526 4.226 5.096 . 0 0 "[ . 1 . 2]" 1
681 1 53 SER QB 1 54 GLU H 3.520 . 3.520 2.734 2.412 3.471 . 0 0 "[ . 1 . 2]" 1
682 1 54 GLU HA 1 54 GLU QB 2.510 . 2.510 2.401 2.356 2.504 . 0 0 "[ . 1 . 2]" 1
683 1 54 GLU HA 1 54 GLU QG 2.590 . 2.590 2.395 2.255 2.682 0.092 8 0 "[ . 1 . 2]" 1
684 1 54 GLU H 1 54 GLU QB 2.530 . 2.530 2.235 2.123 2.271 . 0 0 "[ . 1 . 2]" 1
685 1 54 GLU H 1 54 GLU HB3 2.970 . 2.970 2.724 2.589 3.010 0.040 2 0 "[ . 1 . 2]" 1
686 1 54 GLU H 1 54 GLU HB2 2.970 . 2.970 2.391 2.170 2.491 . 0 0 "[ . 1 . 2]" 1
687 1 54 GLU H 1 54 GLU QG 4.670 . 4.670 3.954 3.754 4.073 . 0 0 "[ . 1 . 2]" 1
688 1 54 GLU H 1 54 GLU HG3 5.410 . 5.410 4.458 4.357 4.617 . 0 0 "[ . 1 . 2]" 1
689 1 54 GLU H 1 54 GLU HG2 5.410 . 5.410 4.442 4.007 4.667 . 0 0 "[ . 1 . 2]" 1
690 1 54 GLU H 1 55 VAL H 3.350 . 3.350 2.836 2.724 2.914 . 0 0 "[ . 1 . 2]" 1
691 1 54 GLU QB 1 55 VAL H 4.300 . 4.300 2.833 2.743 2.924 . 0 0 "[ . 1 . 2]" 1
692 1 54 GLU QG 1 55 VAL QG 5.190 . 5.190 4.155 2.781 5.042 . 0 0 "[ . 1 . 2]" 1
693 1 55 VAL HA 1 57 ALA H 5.500 . 5.500 4.312 4.098 5.038 . 0 0 "[ . 1 . 2]" 1
694 1 55 VAL HB 1 57 ALA H 5.500 . 5.500 5.765 5.450 5.927 0.427 1 0 "[ . 1 . 2]" 1
695 1 55 VAL HB 1 71 LEU MD1 3.450 . 3.450 2.944 2.283 3.713 0.263 4 0 "[ . 1 . 2]" 1
696 1 55 VAL HB 1 71 LEU MD2 3.450 . 3.450 3.585 3.331 3.791 0.341 1 0 "[ . 1 . 2]" 1
697 1 55 VAL H 1 55 VAL QG 3.140 . 3.140 1.997 1.868 2.677 . 0 0 "[ . 1 . 2]" 1
698 1 55 VAL H 1 55 VAL MG1 4.130 . 4.130 2.150 1.872 3.843 . 0 0 "[ . 1 . 2]" 1
699 1 55 VAL H 1 55 VAL MG2 4.130 . 4.130 3.532 2.032 3.843 . 0 0 "[ . 1 . 2]" 1
700 1 55 VAL H 1 56 ASP H 3.370 . 3.370 2.058 1.974 2.169 . 0 0 "[ . 1 . 2]" 1
701 1 55 VAL H 1 56 ASP HB3 5.500 . 5.500 4.603 4.391 4.778 . 0 0 "[ . 1 . 2]" 1
702 1 55 VAL QG 1 56 ASP HA 4.910 . 4.910 3.043 2.953 3.484 . 0 0 "[ . 1 . 2]" 1
703 1 55 VAL QG 1 63 ILE MG 3.670 . 3.670 2.817 2.563 3.489 . 0 0 "[ . 1 . 2]" 1
704 1 55 VAL QG 1 64 GLU H 5.440 . 5.440 4.735 4.444 5.212 . 0 0 "[ . 1 . 2]" 1
705 1 55 VAL QG 1 67 GLU HA 4.450 . 4.450 2.926 2.502 4.489 0.039 6 0 "[ . 1 . 2]" 1
706 1 55 VAL QG 1 68 PHE HA 5.440 . 5.440 3.851 3.308 4.638 . 0 0 "[ . 1 . 2]" 1
707 1 55 VAL MG1 1 56 ASP HB3 5.500 . 5.500 4.602 4.176 5.838 0.338 9 0 "[ . 1 . 2]" 1
708 1 55 VAL MG1 1 63 ILE MG 4.470 . 4.470 3.177 2.725 4.749 0.279 9 0 "[ . 1 . 2]" 1
709 1 55 VAL MG2 1 56 ASP HB3 5.500 . 5.500 5.436 3.815 6.183 0.683 4 2 "[ +. 1 .- 2]" 1
710 1 55 VAL MG2 1 63 ILE MG 4.470 . 4.470 3.379 2.766 4.691 0.221 16 0 "[ . 1 . 2]" 1
711 1 56 ASP HA 1 57 ALA H 3.460 . 3.460 2.265 2.116 2.338 . 0 0 "[ . 1 . 2]" 1
712 1 56 ASP HA 1 57 ALA MB 5.150 . 5.150 4.098 4.017 4.134 . 0 0 "[ . 1 . 2]" 1
713 1 56 ASP HA 1 58 ASP H 4.170 . 4.170 3.323 3.156 3.445 . 0 0 "[ . 1 . 2]" 1
714 1 56 ASP HA 1 59 GLY H 4.910 . 4.910 3.540 3.431 3.810 . 0 0 "[ . 1 . 2]" 1
715 1 56 ASP HA 1 67 GLU QG 4.950 . 4.950 3.700 3.196 4.169 . 0 0 "[ . 1 . 2]" 1
716 1 56 ASP H 1 56 ASP HB3 3.580 . 3.580 2.791 2.524 2.982 . 0 0 "[ . 1 . 2]" 1
717 1 56 ASP H 1 56 ASP HB2 3.600 . 3.600 2.352 2.206 2.630 . 0 0 "[ . 1 . 2]" 1
718 1 56 ASP H 1 58 ASP H 5.500 . 5.500 5.586 5.386 5.742 0.242 8 0 "[ . 1 . 2]" 1
719 1 56 ASP HB3 1 57 ALA H 5.030 . 5.030 4.378 4.333 4.428 . 0 0 "[ . 1 . 2]" 1
720 1 56 ASP HB3 1 59 GLY H 5.500 . 5.500 3.052 2.772 3.355 . 0 0 "[ . 1 . 2]" 1
721 1 56 ASP HB3 1 61 GLY H 5.500 . 5.500 4.534 4.022 4.911 . 0 0 "[ . 1 . 2]" 1
722 1 56 ASP HB2 1 62 THR H 5.500 . 5.500 5.149 4.725 5.525 0.025 8 0 "[ . 1 . 2]" 1
723 1 57 ALA HA 1 59 GLY H 5.500 . 5.500 4.344 4.202 4.454 . 0 0 "[ . 1 . 2]" 1
724 1 57 ALA H 1 57 ALA MB 3.440 . 3.440 2.252 2.234 2.277 . 0 0 "[ . 1 . 2]" 1
725 1 57 ALA H 1 58 ASP H 3.010 . 3.010 2.642 2.484 2.727 . 0 0 "[ . 1 . 2]" 1
726 1 57 ALA H 1 67 GLU QB 5.340 . 5.340 4.567 4.019 4.911 . 0 0 "[ . 1 . 2]" 1
727 1 57 ALA H 1 67 GLU QG 4.100 . 4.100 3.373 2.837 3.727 . 0 0 "[ . 1 . 2]" 1
728 1 57 ALA MB 1 58 ASP HA 5.500 . 5.500 3.931 3.852 3.995 . 0 0 "[ . 1 . 2]" 1
729 1 57 ALA MB 1 58 ASP H 3.680 . 3.680 2.755 2.609 2.923 . 0 0 "[ . 1 . 2]" 1
730 1 57 ALA MB 1 59 GLY H 5.500 . 5.500 4.485 4.382 4.592 . 0 0 "[ . 1 . 2]" 1
731 1 57 ALA MB 1 67 GLU QG 4.300 . 4.300 3.706 2.984 3.994 . 0 0 "[ . 1 . 2]" 1
732 1 57 ALA MB 1 67 GLU HG3 5.090 . 5.090 4.865 3.877 5.156 0.066 19 0 "[ . 1 . 2]" 1
733 1 57 ALA MB 1 67 GLU HG2 5.090 . 5.090 3.845 3.102 4.196 . 0 0 "[ . 1 . 2]" 1
734 1 58 ASP H 1 58 ASP HB2 4.170 . 4.170 3.480 2.675 3.642 . 0 0 "[ . 1 . 2]" 1
735 1 58 ASP H 1 59 GLY H 3.330 . 3.330 2.278 2.166 2.458 . 0 0 "[ . 1 . 2]" 1
736 1 58 ASP H 1 59 GLY HA3 5.500 . 5.500 4.926 4.829 5.074 . 0 0 "[ . 1 . 2]" 1
737 1 58 ASP H 1 59 GLY HA2 5.500 . 5.500 4.576 4.468 4.756 . 0 0 "[ . 1 . 2]" 1
738 1 58 ASP HB3 1 59 GLY H 5.500 . 5.500 4.244 4.134 4.409 . 0 0 "[ . 1 . 2]" 1
739 1 59 GLY H 1 60 ASN H 3.960 . 3.960 2.740 2.602 3.038 . 0 0 "[ . 1 . 2]" 1
740 1 59 GLY QA 1 61 GLY H 5.340 . 5.340 3.239 3.107 3.371 . 0 0 "[ . 1 . 2]" 1
741 1 60 ASN H 1 61 GLY H 4.370 . 4.370 2.391 2.034 2.620 . 0 0 "[ . 1 . 2]" 1
742 1 61 GLY H 1 62 THR H 4.020 . 4.020 2.235 2.079 2.382 . 0 0 "[ . 1 . 2]" 1
743 1 62 THR HA 1 63 ILE H 3.440 . 3.440 2.436 2.294 2.569 . 0 0 "[ . 1 . 2]" 1
744 1 62 THR HA 1 63 ILE QG 5.340 . 5.340 3.167 3.096 3.278 . 0 0 "[ . 1 . 2]" 1
745 1 62 THR HB 1 63 ILE H 3.770 . 3.770 2.489 2.171 3.722 . 0 0 "[ . 1 . 2]" 1
746 1 62 THR H 1 62 THR MG 3.950 . 3.950 2.821 2.484 3.950 0.000 19 0 "[ . 1 . 2]" 1
747 1 62 THR MG 1 63 ILE H 4.210 . 4.210 3.741 2.159 3.968 . 0 0 "[ . 1 . 2]" 1
748 1 63 ILE HA 1 64 GLU H 3.420 . 3.420 2.167 2.158 2.174 . 0 0 "[ . 1 . 2]" 1
749 1 63 ILE HA 1 67 GLU QB 5.340 . 5.340 2.964 2.822 3.067 . 0 0 "[ . 1 . 2]" 1
750 1 63 ILE HA 1 67 GLU QG 5.340 . 5.340 4.457 4.368 4.647 . 0 0 "[ . 1 . 2]" 1
751 1 63 ILE HB 1 63 ILE MD 3.730 . 3.730 2.308 2.255 2.391 . 0 0 "[ . 1 . 2]" 1
752 1 63 ILE HB 1 68 PHE HA 5.310 . 5.310 4.951 4.615 5.271 . 0 0 "[ . 1 . 2]" 1
753 1 63 ILE H 1 63 ILE HB 3.750 . 3.750 2.772 2.654 2.855 . 0 0 "[ . 1 . 2]" 1
754 1 63 ILE H 1 63 ILE MD 5.300 . 5.300 3.912 3.786 4.051 . 0 0 "[ . 1 . 2]" 1
755 1 63 ILE H 1 63 ILE QG 3.810 . 3.810 2.446 2.295 2.665 . 0 0 "[ . 1 . 2]" 1
756 1 63 ILE H 1 63 ILE HG13 4.460 . 4.460 2.489 2.330 2.715 . 0 0 "[ . 1 . 2]" 1
757 1 63 ILE H 1 63 ILE HG12 4.460 . 4.460 3.598 3.421 3.913 . 0 0 "[ . 1 . 2]" 1
758 1 63 ILE H 1 63 ILE MG 4.640 . 4.640 3.897 3.858 3.921 . 0 0 "[ . 1 . 2]" 1
759 1 63 ILE MD 1 67 GLU QB 4.770 . 4.770 4.470 4.322 4.611 . 0 0 "[ . 1 . 2]" 1
760 1 63 ILE MD 1 67 GLU HB3 5.500 . 5.500 4.873 4.679 5.061 . 0 0 "[ . 1 . 2]" 1
761 1 63 ILE MD 1 67 GLU HB2 5.500 . 5.500 5.199 5.067 5.408 . 0 0 "[ . 1 . 2]" 1
762 1 63 ILE MD 1 68 PHE HA 4.330 . 4.330 4.207 4.049 4.411 0.081 13 0 "[ . 1 . 2]" 1
763 1 63 ILE MD 1 68 PHE QD 4.500 . 4.500 3.360 3.061 3.675 . 0 0 "[ . 1 . 2]" 1
764 1 63 ILE QG 1 64 GLU H 5.340 . 5.340 4.356 4.228 4.454 . 0 0 "[ . 1 . 2]" 1
765 1 63 ILE MD 1 63 ILE MG 3.080 . 3.080 1.999 1.878 2.050 . 0 0 "[ . 1 . 2]" 1
766 1 63 ILE MG 1 64 GLU H 4.340 . 4.340 2.628 2.530 2.792 . 0 0 "[ . 1 . 2]" 1
767 1 63 ILE MG 1 67 GLU HA 5.500 . 5.500 4.249 4.119 4.407 . 0 0 "[ . 1 . 2]" 1
768 1 63 ILE MG 1 67 GLU H 5.500 . 5.500 4.131 4.014 4.282 . 0 0 "[ . 1 . 2]" 1
769 1 63 ILE MG 1 67 GLU QB 4.250 . 4.250 2.185 2.057 2.327 . 0 0 "[ . 1 . 2]" 1
770 1 63 ILE MG 1 67 GLU QG 4.640 . 4.640 4.018 3.880 4.162 . 0 0 "[ . 1 . 2]" 1
771 1 63 ILE MG 1 68 PHE HA 4.110 . 4.110 2.599 2.385 2.796 . 0 0 "[ . 1 . 2]" 1
772 1 63 ILE MG 1 68 PHE H 4.200 . 4.200 2.692 2.498 2.888 . 0 0 "[ . 1 . 2]" 1
773 1 63 ILE MG 1 68 PHE HB3 4.570 . 4.570 3.765 3.510 4.004 . 0 0 "[ . 1 . 2]" 1
774 1 63 ILE MG 1 68 PHE HB2 4.570 . 4.570 2.479 2.240 2.678 . 0 0 "[ . 1 . 2]" 1
775 1 63 ILE MG 1 68 PHE QD 4.170 . 4.170 2.680 2.382 2.959 . 0 0 "[ . 1 . 2]" 1
776 1 64 GLU H 1 64 GLU QB 3.680 . 3.680 2.403 2.330 2.792 . 0 0 "[ . 1 . 2]" 1
777 1 64 GLU H 1 66 ASP H 5.500 . 5.500 5.279 5.148 5.451 . 0 0 "[ . 1 . 2]" 1
778 1 64 GLU H 1 67 GLU QB 3.680 . 3.680 1.888 1.761 2.086 . 0 0 "[ . 1 . 2]" 1
779 1 64 GLU H 1 67 GLU QG 3.890 . 3.890 3.271 3.091 3.458 . 0 0 "[ . 1 . 2]" 1
780 1 64 GLU H 1 67 GLU H 4.590 . 4.590 3.552 3.440 3.692 . 0 0 "[ . 1 . 2]" 1
781 1 64 GLU QB 1 65 PHE H 3.650 . 3.650 2.495 2.087 3.268 . 0 0 "[ . 1 . 2]" 1
782 1 64 GLU QB 1 66 ASP H 5.340 . 5.340 3.134 2.955 3.597 . 0 0 "[ . 1 . 2]" 1
783 1 64 GLU QB 1 67 GLU H 4.910 . 4.910 2.765 2.495 3.860 . 0 0 "[ . 1 . 2]" 1
784 1 64 GLU QG 1 65 PHE H 3.960 . 3.960 3.142 1.695 4.140 0.180 20 0 "[ . 1 . 2]" 1
785 1 65 PHE HA 1 65 PHE QD 3.730 . 3.730 2.627 2.357 3.003 . 0 0 "[ . 1 . 2]" 1
786 1 65 PHE HA 1 68 PHE QB 3.850 . 3.850 2.498 2.316 2.737 . 0 0 "[ . 1 . 2]" 1
787 1 65 PHE H 1 65 PHE QB 3.640 . 3.640 2.257 2.210 2.284 . 0 0 "[ . 1 . 2]" 1
788 1 65 PHE H 1 65 PHE QD 5.500 . 5.500 4.186 4.121 4.216 . 0 0 "[ . 1 . 2]" 1
789 1 65 PHE H 1 66 ASP H 5.150 . 5.150 2.949 2.889 3.139 . 0 0 "[ . 1 . 2]" 1
790 1 65 PHE HA 1 68 PHE H 4.500 . 4.500 3.457 3.268 3.642 . 0 0 "[ . 1 . 2]" 1
791 1 65 PHE HA 1 69 LEU H 5.500 . 5.500 3.846 3.629 4.174 . 0 0 "[ . 1 . 2]" 1
792 1 65 PHE QB 1 66 ASP H 3.370 . 3.370 2.440 2.247 2.595 . 0 0 "[ . 1 . 2]" 1
793 1 65 PHE QD 1 66 ASP HA 4.770 . 4.770 3.344 2.645 3.840 . 0 0 "[ . 1 . 2]" 1
794 1 65 PHE QD 1 66 ASP H 5.500 . 5.500 3.003 2.507 3.350 . 0 0 "[ . 1 . 2]" 1
795 1 65 PHE QD 1 68 PHE H 5.500 . 5.500 5.281 4.976 5.455 . 0 0 "[ . 1 . 2]" 1
796 1 65 PHE QD 1 69 LEU QB 4.350 . 4.350 3.882 3.622 4.091 . 0 0 "[ . 1 . 2]" 1
797 1 65 PHE QE 1 69 LEU QB 5.080 . 5.080 3.507 3.135 4.004 . 0 0 "[ . 1 . 2]" 1
798 1 66 ASP HA 1 69 LEU H 4.360 . 4.360 3.483 3.213 3.654 . 0 0 "[ . 1 . 2]" 1
799 1 66 ASP HA 1 69 LEU QB 3.040 . 3.040 2.633 2.233 2.761 . 0 0 "[ . 1 . 2]" 1
800 1 66 ASP HA 1 69 LEU MD2 3.840 . 3.840 3.672 3.251 4.028 0.188 19 0 "[ . 1 . 2]" 1
801 1 66 ASP HA 1 70 SER H 4.500 . 4.500 4.130 3.850 4.328 . 0 0 "[ . 1 . 2]" 1
802 1 66 ASP H 1 66 ASP QB 3.020 . 3.020 2.339 2.216 2.533 . 0 0 "[ . 1 . 2]" 1
803 1 66 ASP H 1 66 ASP HB3 3.700 . 3.700 3.072 2.495 3.596 . 0 0 "[ . 1 . 2]" 1
804 1 66 ASP H 1 66 ASP HB2 3.700 . 3.700 2.634 2.277 3.588 . 0 0 "[ . 1 . 2]" 1
805 1 66 ASP H 1 67 GLU H 4.150 . 4.150 2.740 2.629 2.914 . 0 0 "[ . 1 . 2]" 1
806 1 66 ASP QB 1 67 GLU H 3.510 . 3.510 2.676 2.194 3.340 . 0 0 "[ . 1 . 2]" 1
807 1 66 ASP QB 1 69 LEU MD2 5.500 . 5.500 4.812 4.222 5.511 0.011 11 0 "[ . 1 . 2]" 1
808 1 67 GLU HA 1 67 GLU QG 3.480 . 3.480 2.318 2.268 2.348 . 0 0 "[ . 1 . 2]" 1
809 1 67 GLU HA 1 69 LEU H 5.500 . 5.500 4.422 4.106 4.591 . 0 0 "[ . 1 . 2]" 1
810 1 67 GLU HA 1 70 SER H 3.900 . 3.900 3.520 3.431 3.614 . 0 0 "[ . 1 . 2]" 1
811 1 67 GLU HA 1 70 SER QB 3.310 . 3.310 2.920 2.563 3.414 0.104 15 0 "[ . 1 . 2]" 1
812 1 67 GLU H 1 67 GLU QB 3.400 . 3.400 2.357 2.288 2.415 . 0 0 "[ . 1 . 2]" 1
813 1 67 GLU H 1 67 GLU HB3 3.980 . 3.980 3.577 3.556 3.594 . 0 0 "[ . 1 . 2]" 1
814 1 67 GLU H 1 67 GLU HB2 3.980 . 3.980 2.391 2.316 2.455 . 0 0 "[ . 1 . 2]" 1
815 1 67 GLU H 1 67 GLU QG 3.640 . 3.640 2.270 2.138 2.426 . 0 0 "[ . 1 . 2]" 1
816 1 67 GLU H 1 68 PHE H 3.910 . 3.910 2.628 2.538 2.820 . 0 0 "[ . 1 . 2]" 1
817 1 67 GLU H 1 69 LEU QB 5.170 . 5.170 4.820 4.553 5.023 . 0 0 "[ . 1 . 2]" 1
818 1 67 GLU QB 1 68 PHE HA 4.470 . 4.470 3.889 3.861 3.928 . 0 0 "[ . 1 . 2]" 1
819 1 67 GLU QG 1 68 PHE H 4.620 . 4.620 4.082 4.033 4.140 . 0 0 "[ . 1 . 2]" 1
820 1 68 PHE HA 1 68 PHE QD 4.040 . 4.040 2.540 2.293 2.730 . 0 0 "[ . 1 . 2]" 1
821 1 68 PHE HA 1 71 LEU H 3.600 . 3.600 3.465 3.282 3.601 0.001 3 0 "[ . 1 . 2]" 1
822 1 68 PHE HA 1 71 LEU HB3 4.210 . 4.210 2.922 2.430 4.077 . 0 0 "[ . 1 . 2]" 1
823 1 68 PHE HA 1 71 LEU HB2 4.210 . 4.210 3.371 2.503 3.787 . 0 0 "[ . 1 . 2]" 1
824 1 68 PHE HA 1 71 LEU QD 5.500 . 5.500 3.436 2.355 3.750 . 0 0 "[ . 1 . 2]" 1
825 1 68 PHE HA 1 72 MET H 4.500 . 4.500 4.054 3.495 4.372 . 0 0 "[ . 1 . 2]" 1
826 1 68 PHE H 1 68 PHE HB3 4.020 . 4.020 2.538 2.474 2.657 . 0 0 "[ . 1 . 2]" 1
827 1 68 PHE H 1 68 PHE HB2 4.020 . 4.020 2.553 2.451 2.627 . 0 0 "[ . 1 . 2]" 1
828 1 68 PHE H 1 68 PHE QD 5.500 . 5.500 4.183 4.151 4.192 . 0 0 "[ . 1 . 2]" 1
829 1 68 PHE H 1 69 LEU H 4.160 . 4.160 2.675 2.538 2.743 . 0 0 "[ . 1 . 2]" 1
830 1 68 PHE H 1 69 LEU QB 5.340 . 5.340 4.396 4.239 4.469 . 0 0 "[ . 1 . 2]" 1
831 1 68 PHE QB 1 69 LEU H 3.820 . 3.820 2.603 2.478 2.915 . 0 0 "[ . 1 . 2]" 1
832 1 68 PHE QD 1 69 LEU H 5.500 . 5.500 3.638 3.363 4.127 . 0 0 "[ . 1 . 2]" 1
833 1 68 PHE QD 1 69 LEU QB 5.500 . 5.500 4.044 3.691 4.644 . 0 0 "[ . 1 . 2]" 1
834 1 68 PHE QE 1 72 MET H 5.500 . 5.500 5.232 4.902 5.426 . 0 0 "[ . 1 . 2]" 1
835 1 69 LEU HA 1 69 LEU QD 3.690 . 3.690 2.603 1.959 3.101 . 0 0 "[ . 1 . 2]" 1
836 1 69 LEU HA 1 72 MET H 4.500 . 4.500 3.592 3.438 4.012 . 0 0 "[ . 1 . 2]" 1
837 1 69 LEU HA 1 72 MET HB3 4.500 . 4.500 3.901 2.718 4.708 0.208 8 0 "[ . 1 . 2]" 1
838 1 69 LEU HA 1 72 MET HB2 4.500 . 4.500 3.195 2.529 4.630 0.130 13 0 "[ . 1 . 2]" 1
839 1 69 LEU H 1 69 LEU QB 3.280 . 3.280 2.213 2.148 2.245 . 0 0 "[ . 1 . 2]" 1
840 1 69 LEU H 1 69 LEU HB3 3.790 . 3.790 2.516 2.331 2.875 . 0 0 "[ . 1 . 2]" 1
841 1 69 LEU H 1 69 LEU HB2 3.790 . 3.790 2.506 2.218 2.721 . 0 0 "[ . 1 . 2]" 1
842 1 69 LEU H 1 70 SER H 4.530 . 4.530 2.646 2.596 2.664 . 0 0 "[ . 1 . 2]" 1
843 1 69 LEU QB 1 70 SER H 3.760 . 3.760 2.567 2.517 2.625 . 0 0 "[ . 1 . 2]" 1
844 1 69 LEU HB3 1 70 SER H 4.610 . 4.610 2.607 2.549 2.663 . 0 0 "[ . 1 . 2]" 1
845 1 69 LEU HB2 1 70 SER H 4.610 . 4.610 3.854 3.540 3.979 . 0 0 "[ . 1 . 2]" 1
846 1 69 LEU QD 1 70 SER HA 5.500 . 5.500 3.402 2.584 4.216 . 0 0 "[ . 1 . 2]" 1
847 1 69 LEU QD 1 70 SER H 3.790 . 3.790 3.448 2.669 3.958 0.168 9 0 "[ . 1 . 2]" 1
848 1 70 SER HA 1 73 ALA MB 4.180 . 4.180 2.741 2.336 3.082 . 0 0 "[ . 1 . 2]" 1
849 1 70 SER HA 1 73 ALA H 3.600 . 3.600 3.597 3.391 3.724 0.124 16 0 "[ . 1 . 2]" 1
850 1 70 SER HA 1 74 LYS H 4.500 . 4.500 3.741 3.250 4.210 . 0 0 "[ . 1 . 2]" 1
851 1 70 SER H 1 70 SER QB 3.210 . 3.210 2.365 2.213 2.560 . 0 0 "[ . 1 . 2]" 1
852 1 70 SER H 1 70 SER HB3 3.820 . 3.820 2.957 2.320 3.631 . 0 0 "[ . 1 . 2]" 1
853 1 70 SER H 1 70 SER HB2 3.820 . 3.820 2.748 2.396 3.620 . 0 0 "[ . 1 . 2]" 1
854 1 70 SER H 1 71 LEU H 3.040 . 3.040 2.655 2.575 2.715 . 0 0 "[ . 1 . 2]" 1
855 1 70 SER QB 1 71 LEU H 3.560 . 3.560 2.633 2.416 3.350 . 0 0 "[ . 1 . 2]" 1
856 1 71 LEU HA 1 71 LEU HG 3.940 . 3.940 2.982 2.419 3.253 . 0 0 "[ . 1 . 2]" 1
857 1 71 LEU HA 1 71 LEU QD 3.800 . 3.800 2.113 2.052 2.272 . 0 0 "[ . 1 . 2]" 1
858 1 71 LEU HA 1 71 LEU MD1 4.420 . 4.420 2.507 2.061 3.777 . 0 0 "[ . 1 . 2]" 1
859 1 71 LEU HA 1 71 LEU MD2 4.420 . 4.420 3.400 2.176 3.809 . 0 0 "[ . 1 . 2]" 1
860 1 71 LEU HA 1 74 LYS H 3.600 . 3.600 3.541 3.261 3.698 0.098 4 0 "[ . 1 . 2]" 1
861 1 71 LEU HA 1 74 LYS QB 3.280 . 3.280 2.456 2.211 3.741 0.461 4 0 "[ . 1 . 2]" 1
862 1 71 LEU HA 1 74 LYS QD 3.250 . 3.250 2.963 2.533 3.385 0.135 4 0 "[ . 1 . 2]" 1
863 1 71 LEU HA 1 74 LYS QE 4.550 . 4.550 4.533 3.603 5.193 0.643 16 1 "[ . 1 .+ 2]" 1
864 1 71 LEU HA 1 74 LYS QG 4.500 . 4.500 3.940 2.014 4.406 . 0 0 "[ . 1 . 2]" 1
865 1 71 LEU HA 1 75 LYS H 4.500 . 4.500 4.289 4.023 4.478 . 0 0 "[ . 1 . 2]" 1
866 1 71 LEU H 1 71 LEU QB 3.180 . 3.180 2.214 2.066 2.271 . 0 0 "[ . 1 . 2]" 1
867 1 71 LEU H 1 71 LEU HB3 3.630 . 3.630 2.683 2.462 3.510 . 0 0 "[ . 1 . 2]" 1
868 1 71 LEU H 1 71 LEU HB2 3.630 . 3.630 2.436 2.085 2.590 . 0 0 "[ . 1 . 2]" 1
869 1 71 LEU H 1 71 LEU QD 4.380 . 4.380 3.662 3.193 3.744 . 0 0 "[ . 1 . 2]" 1
870 1 71 LEU H 1 71 LEU MD1 5.170 . 5.170 4.011 3.345 4.240 . 0 0 "[ . 1 . 2]" 1
871 1 71 LEU H 1 71 LEU MD2 5.170 . 5.170 4.243 4.037 4.304 . 0 0 "[ . 1 . 2]" 1
872 1 71 LEU H 1 72 MET H 3.180 . 3.180 2.745 2.662 2.998 . 0 0 "[ . 1 . 2]" 1
873 1 71 LEU QB 1 72 MET H 2.990 . 2.990 2.555 2.348 2.726 . 0 0 "[ . 1 . 2]" 1
874 1 71 LEU HB3 1 72 MET H 3.650 . 3.650 2.640 2.371 3.290 . 0 0 "[ . 1 . 2]" 1
875 1 71 LEU HB2 1 72 MET H 3.650 . 3.650 3.723 2.775 3.915 0.265 14 0 "[ . 1 . 2]" 1
876 1 71 LEU QD 1 72 MET HA 5.500 . 5.500 4.069 3.297 4.902 . 0 0 "[ . 1 . 2]" 1
877 1 72 MET HA 1 72 MET ME 4.440 . 4.440 3.906 2.727 4.494 0.054 20 0 "[ . 1 . 2]" 1
878 1 72 MET HA 1 72 MET QG 3.710 . 3.710 2.455 2.231 2.878 . 0 0 "[ . 1 . 2]" 1
879 1 72 MET HA 1 75 LYS QB 3.060 . 3.060 3.041 2.516 3.306 0.246 14 0 "[ . 1 . 2]" 1
880 1 72 MET HA 1 75 LYS H 3.600 . 3.600 3.542 3.398 3.705 0.105 6 0 "[ . 1 . 2]" 1
881 1 72 MET HA 1 76 VAL H 4.540 . 4.540 4.271 4.016 4.523 . 0 0 "[ . 1 . 2]" 1
882 1 72 MET H 1 72 MET QB 3.170 . 3.170 2.287 2.241 2.374 . 0 0 "[ . 1 . 2]" 1
883 1 72 MET ME 1 73 ALA H 5.500 . 5.500 5.261 4.616 5.689 0.189 19 0 "[ . 1 . 2]" 1
884 1 12 PHE QE 1 73 ALA HA 4.000 . 4.000 3.563 2.730 4.092 0.092 1 0 "[ . 1 . 2]" 1
885 1 12 PHE HZ 1 73 ALA HA 4.500 . 4.500 3.546 2.956 4.093 . 0 0 "[ . 1 . 2]" 1
886 1 12 PHE QD 1 73 ALA H 5.500 . 5.500 4.569 3.894 5.069 . 0 0 "[ . 1 . 2]" 1
887 1 12 PHE QE 1 73 ALA H 4.000 . 4.000 3.276 2.473 4.143 0.143 3 0 "[ . 1 . 2]" 1
888 1 12 PHE HZ 1 73 ALA H 4.500 . 4.500 4.609 4.263 4.780 0.280 13 0 "[ . 1 . 2]" 1
889 1 73 ALA HA 1 76 VAL HB 4.500 . 4.500 3.100 2.402 3.833 . 0 0 "[ . 1 . 2]" 1
890 1 73 ALA HA 1 76 VAL QG 3.880 . 3.880 3.607 2.127 3.995 0.115 4 0 "[ . 1 . 2]" 1
891 1 73 ALA HA 1 76 VAL H 3.680 . 3.680 3.224 3.081 3.394 . 0 0 "[ . 1 . 2]" 1
892 1 73 ALA HA 1 77 LYS H 4.500 . 4.500 4.107 3.229 4.334 . 0 0 "[ . 1 . 2]" 1
893 1 12 PHE QE 1 73 ALA MB 4.500 . 4.500 3.066 2.377 3.875 . 0 0 "[ . 1 . 2]" 1
894 1 73 ALA H 1 73 ALA MB 3.160 . 3.160 2.232 2.216 2.249 . 0 0 "[ . 1 . 2]" 1
895 1 73 ALA H 1 74 LYS H 3.510 . 3.510 2.641 2.533 2.831 . 0 0 "[ . 1 . 2]" 1
896 1 73 ALA H 1 75 LYS QB 5.500 . 5.500 5.172 4.759 5.431 . 0 0 "[ . 1 . 2]" 1
897 1 73 ALA MB 1 74 LYS H 3.740 . 3.740 2.622 2.290 2.878 . 0 0 "[ . 1 . 2]" 1
898 1 74 LYS HA 1 74 LYS QG 3.600 . 3.600 2.427 2.218 3.417 . 0 0 "[ . 1 . 2]" 1
899 1 74 LYS HA 1 77 LYS H 3.640 . 3.640 3.679 3.460 3.863 0.223 7 0 "[ . 1 . 2]" 1
900 1 74 LYS HA 1 77 LYS QB 2.470 . 2.470 2.463 2.278 2.681 0.211 1 0 "[ . 1 . 2]" 1
901 1 74 LYS H 1 74 LYS QB 3.540 . 3.540 2.294 2.185 2.443 . 0 0 "[ . 1 . 2]" 1
902 1 74 LYS H 1 74 LYS HD3 5.500 . 5.500 4.944 3.915 5.880 0.380 12 0 "[ . 1 . 2]" 1
903 1 74 LYS H 1 74 LYS HD2 5.500 . 5.500 4.592 3.932 5.149 . 0 0 "[ . 1 . 2]" 1
904 1 74 LYS H 1 74 LYS QG 4.180 . 4.180 3.354 2.194 4.058 . 0 0 "[ . 1 . 2]" 1
905 1 74 LYS H 1 75 LYS H 3.380 . 3.380 2.627 2.456 2.776 . 0 0 "[ . 1 . 2]" 1
906 1 74 LYS H 1 76 VAL H 4.650 . 4.650 4.087 3.706 4.614 . 0 0 "[ . 1 . 2]" 1
907 1 74 LYS QG 1 75 LYS H 4.780 . 4.780 3.946 2.137 4.463 . 0 0 "[ . 1 . 2]" 1
908 1 74 LYS HG3 1 75 LYS H 5.500 . 5.500 4.681 2.148 5.142 . 0 0 "[ . 1 . 2]" 1
909 1 74 LYS HG2 1 75 LYS H 5.500 . 5.500 4.444 3.723 5.271 . 0 0 "[ . 1 . 2]" 1
910 1 75 LYS H 1 75 LYS QB 2.860 . 2.860 2.319 2.160 2.402 . 0 0 "[ . 1 . 2]" 1
911 1 75 LYS H 1 75 LYS HD3 5.500 . 5.500 4.607 3.173 5.052 . 0 0 "[ . 1 . 2]" 1
912 1 75 LYS H 1 75 LYS HD2 5.500 . 5.500 4.772 3.014 5.082 . 0 0 "[ . 1 . 2]" 1
913 1 75 LYS QB 1 76 VAL H 3.610 . 3.610 2.699 2.286 3.206 . 0 0 "[ . 1 . 2]" 1
914 1 75 LYS QG 1 76 VAL H 4.570 . 4.570 3.991 3.563 4.579 0.009 7 0 "[ . 1 . 2]" 1
915 1 12 PHE QE 1 76 VAL HB 4.500 . 4.500 4.614 4.172 4.703 0.203 19 0 "[ . 1 . 2]" 1
916 1 12 PHE HZ 1 76 VAL HB 4.500 . 4.500 3.946 3.458 4.550 0.050 3 0 "[ . 1 . 2]" 1
917 1 76 VAL HA 1 77 LYS H 3.530 . 3.530 3.107 2.820 3.558 0.028 19 0 "[ . 1 . 2]" 1
918 1 76 VAL HA 1 78 ASP H 5.500 . 5.500 3.232 2.893 3.745 . 0 0 "[ . 1 . 2]" 1
919 1 76 VAL HA 1 79 THR H 5.470 . 5.470 3.765 3.261 4.310 . 0 0 "[ . 1 . 2]" 1
920 1 76 VAL HB 1 77 LYS H 4.170 . 4.170 3.867 2.579 4.206 0.036 17 0 "[ . 1 . 2]" 1
921 1 76 VAL HB 1 79 THR H 5.500 . 5.500 5.032 4.443 5.725 0.225 19 0 "[ . 1 . 2]" 1
922 1 76 VAL H 1 76 VAL HB 2.750 . 2.750 2.667 2.401 2.913 0.163 17 0 "[ . 1 . 2]" 1
923 1 76 VAL H 1 76 VAL QG 3.620 . 3.620 2.308 2.080 2.648 . 0 0 "[ . 1 . 2]" 1
924 1 76 VAL QG 1 77 LYS H 4.520 . 4.520 3.651 2.634 3.770 . 0 0 "[ . 1 . 2]" 1
925 1 12 PHE QE 1 76 VAL QG 4.500 . 4.500 3.976 3.645 4.323 . 0 0 "[ . 1 . 2]" 1
926 1 12 PHE HZ 1 76 VAL QG 4.500 . 4.500 3.747 2.783 4.629 0.129 18 0 "[ . 1 . 2]" 1
927 1 76 VAL MG1 1 77 LYS H 5.150 . 5.150 4.098 2.660 4.310 . 0 0 "[ . 1 . 2]" 1
928 1 76 VAL MG2 1 77 LYS H 5.150 . 5.150 4.153 3.777 4.252 . 0 0 "[ . 1 . 2]" 1
929 1 77 LYS HA 1 77 LYS QD 4.650 . 4.650 3.882 2.204 4.439 . 0 0 "[ . 1 . 2]" 1
930 1 77 LYS HA 1 77 LYS HD3 5.460 . 5.460 4.532 3.164 5.510 0.050 14 0 "[ . 1 . 2]" 1
931 1 77 LYS HA 1 77 LYS HD2 5.460 . 5.460 4.291 2.249 5.002 . 0 0 "[ . 1 . 2]" 1
932 1 77 LYS HA 1 77 LYS QG 3.560 . 3.560 2.481 2.234 3.405 . 0 0 "[ . 1 . 2]" 1
933 1 77 LYS HA 1 78 ASP H 3.570 . 3.570 3.461 3.328 3.579 0.009 18 0 "[ . 1 . 2]" 1
934 1 77 LYS H 1 77 LYS QB 3.280 . 3.280 2.250 2.175 2.463 . 0 0 "[ . 1 . 2]" 1
935 1 77 LYS H 1 77 LYS HB3 3.780 . 3.780 2.668 2.355 2.898 . 0 0 "[ . 1 . 2]" 1
936 1 77 LYS H 1 77 LYS HB2 3.780 . 3.780 2.555 2.247 3.599 . 0 0 "[ . 1 . 2]" 1
937 1 77 LYS H 1 77 LYS QG 4.510 . 4.510 3.691 2.109 4.047 . 0 0 "[ . 1 . 2]" 1
938 1 77 LYS H 1 77 LYS HG3 5.260 . 5.260 4.154 2.586 4.457 . 0 0 "[ . 1 . 2]" 1
939 1 77 LYS H 1 77 LYS HG2 5.260 . 5.260 4.245 2.130 4.641 . 0 0 "[ . 1 . 2]" 1
940 1 77 LYS H 1 78 ASP H 4.010 . 4.010 2.751 2.618 2.868 . 0 0 "[ . 1 . 2]" 1
941 1 77 LYS QB 1 77 LYS QD 2.670 . 2.670 2.155 2.107 2.277 . 0 0 "[ . 1 . 2]" 1
942 1 77 LYS QB 1 78 ASP H 4.120 . 4.120 2.997 2.416 3.674 . 0 0 "[ . 1 . 2]" 1
943 1 77 LYS QE 1 77 LYS QG 3.330 . 3.330 2.262 2.136 2.559 . 0 0 "[ . 1 . 2]" 1
944 1 77 LYS HG3 1 78 ASP H 5.500 . 5.500 4.554 2.200 5.168 . 0 0 "[ . 1 . 2]" 1
945 1 77 LYS HG2 1 78 ASP H 5.500 . 5.500 4.113 2.124 4.821 . 0 0 "[ . 1 . 2]" 1
946 1 78 ASP HA 1 79 THR H 3.560 . 3.560 3.583 3.524 3.603 0.043 3 0 "[ . 1 . 2]" 1
947 1 78 ASP H 1 78 ASP QB 3.520 . 3.520 2.383 2.242 2.606 . 0 0 "[ . 1 . 2]" 1
948 1 78 ASP H 1 79 THR H 4.260 . 4.260 2.911 2.636 3.010 . 0 0 "[ . 1 . 2]" 1
949 1 78 ASP QB 1 79 THR HA 5.340 . 5.340 4.379 4.021 4.792 . 0 0 "[ . 1 . 2]" 1
950 1 78 ASP QB 1 79 THR H 4.250 . 4.250 2.527 2.163 3.189 . 0 0 "[ . 1 . 2]" 1
951 1 78 ASP HB3 1 79 THR H 4.880 . 4.880 2.982 2.178 3.806 . 0 0 "[ . 1 . 2]" 1
952 1 78 ASP HB2 1 79 THR H 4.880 . 4.880 3.248 2.238 3.962 . 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 12
_Distance_constraint_stats_list.Viol_count 200
_Distance_constraint_stats_list.Viol_total 2398.713
_Distance_constraint_stats_list.Viol_max 2.685
_Distance_constraint_stats_list.Viol_rms 0.6427
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4997
_Distance_constraint_stats_list.Viol_average_violations_only 0.5997
_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 20 ASP 31.025 2.685 5 19 "[*- *+***************]"
1 22 ASP 24.785 2.278 4 12 "[* +*****1 * . *-**]"
1 24 ASP 9.280 0.949 5 11 "[ * *+** *1 * **-* 2]"
1 26 CYS 4.009 0.714 5 1 "[ + 1 . 2]"
1 31 GLU 4.597 0.570 2 1 "[ + . 1 . 2]"
1 56 ASP 16.511 1.703 12 13 "[ ** * ** 1*+*** **-2]"
1 58 ASP 12.919 2.383 16 7 "[ *. **1* -+ *2]"
1 60 ASN 3.243 0.738 19 2 "[ . 1 -. +2]"
1 62 THR 2.155 0.313 14 0 "[ . 1 . 2]"
1 67 GLU 11.413 0.841 7 6 "[ *. + *- ** 2]"
2 1 CA 73.695 2.685 5 19 "[** *+***********-***]"
3 1 CA 46.240 2.383 16 17 "[ **** ****-****+***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 20 ASP OD2 2 1 CA CA 2.500 . 2.500 4.051 2.769 5.185 2.685 5 19 "[*- *+***************]" 2
2 1 22 ASP OD1 2 1 CA CA 2.500 . 2.500 3.739 2.522 4.778 2.278 4 12 "[* +*****1 * . *-**]" 2
3 1 24 ASP OD2 2 1 CA CA 2.500 . 2.500 2.964 2.594 3.449 0.949 5 11 "[ * *+** *1 * **-* 2]" 2
4 1 26 CYS O 2 1 CA CA 2.500 . 2.500 2.699 2.480 3.214 0.714 5 1 "[ + 1 . 2]" 2
5 1 31 GLU OE1 2 1 CA CA 2.500 . 2.500 2.560 2.318 2.974 0.474 2 0 "[ . 1 . 2]" 2
6 1 31 GLU OE2 2 1 CA CA 2.500 . 2.500 2.584 2.102 3.070 0.570 2 1 "[ + . 1 . 2]" 2
7 1 56 ASP OD2 3 1 CA CA 2.500 . 2.500 3.311 2.302 4.203 1.703 12 13 "[ ** * ** 1*+*** **-2]" 2
8 1 58 ASP OD2 3 1 CA CA 2.500 . 2.500 3.146 2.506 4.883 2.383 16 7 "[ *. **1* -+ *2]" 2
9 1 60 ASN OD1 3 1 CA CA 2.500 . 2.500 2.581 2.031 3.238 0.738 19 2 "[ . 1 -. +2]" 2
10 1 62 THR O 3 1 CA CA 2.500 . 2.500 2.605 2.476 2.813 0.313 14 0 "[ . 1 . 2]" 2
11 1 67 GLU OE1 3 1 CA CA 2.500 . 2.500 2.702 2.013 3.287 0.787 16 6 "[ *. * *- *+ 2]" 2
12 1 67 GLU OE2 3 1 CA CA 2.500 . 2.500 2.745 1.967 3.341 0.841 7 6 "[ *. + *- ** 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 68
_Distance_constraint_stats_list.Viol_count 286
_Distance_constraint_stats_list.Viol_total 447.038
_Distance_constraint_stats_list.Viol_max 0.293
_Distance_constraint_stats_list.Viol_rms 0.0420
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0164
_Distance_constraint_stats_list.Viol_average_violations_only 0.0782
_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 7 GLU 2.764 0.243 11 0 "[ . 1 . 2]"
1 8 GLN 0.012 0.010 18 0 "[ . 1 . 2]"
1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.251 0.092 9 0 "[ . 1 . 2]"
1 11 ASP 3.349 0.243 11 0 "[ . 1 . 2]"
1 12 PHE 0.202 0.066 4 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 0.383 0.099 18 0 "[ . 1 . 2]"
1 15 ALA 1.206 0.125 10 0 "[ . 1 . 2]"
1 16 PHE 0.190 0.066 4 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.132 0.099 18 0 "[ . 1 . 2]"
1 19 PHE 0.621 0.125 10 0 "[ . 1 . 2]"
1 27 ILE 1.944 0.148 15 0 "[ . 1 . 2]"
1 29 VAL 0.021 0.021 16 0 "[ . 1 . 2]"
1 30 GLU 2.852 0.215 14 0 "[ . 1 . 2]"
1 31 GLU 0.633 0.153 1 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ALA 0.021 0.021 16 0 "[ . 1 . 2]"
1 34 THR 4.469 0.215 14 0 "[ . 1 . 2]"
1 35 VAL 2.915 0.228 16 0 "[ . 1 . 2]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 1.618 0.168 15 0 "[ . 1 . 2]"
1 39 LEU 2.281 0.228 16 0 "[ . 1 . 2]"
1 44 THR 0.381 0.078 2 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.017 0.017 11 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.424 0.078 2 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.017 0.017 11 0 "[ . 1 . 2]"
1 51 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.043 0.029 18 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 1.944 0.148 15 0 "[ . 1 . 2]"
1 65 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASP 0.626 0.123 9 0 "[ . 1 . 2]"
1 67 GLU 0.299 0.130 11 0 "[ . 1 . 2]"
1 68 PHE 0.509 0.116 13 0 "[ . 1 . 2]"
1 69 LEU 0.331 0.072 16 0 "[ . 1 . 2]"
1 70 SER 0.626 0.123 9 0 "[ . 1 . 2]"
1 71 LEU 3.846 0.254 12 0 "[ . 1 . 2]"
1 72 MET 1.022 0.116 13 0 "[ . 1 . 2]"
1 73 ALA 2.513 0.293 4 0 "[ . 1 . 2]"
1 74 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 3.547 0.254 12 0 "[ . 1 . 2]"
1 76 VAL 0.513 0.097 19 0 "[ . 1 . 2]"
1 77 LYS 2.182 0.293 4 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 27 ILE H 1 63 ILE O 2.100 . 2.100 2.162 2.083 2.248 0.148 15 0 "[ . 1 . 2]" 3
2 1 27 ILE N 1 63 ILE O 3.100 . 3.100 3.121 2.967 3.216 0.116 1 0 "[ . 1 . 2]" 3
3 1 27 ILE O 1 63 ILE H 2.100 . 2.100 1.988 1.809 2.166 0.066 16 0 "[ . 1 . 2]" 3
4 1 27 ILE O 1 63 ILE N 3.100 . 3.100 2.898 2.773 3.000 . 0 0 "[ . 1 . 2]" 3
5 1 7 GLU O 1 11 ASP H 2.100 . 2.100 2.182 2.031 2.343 0.243 11 0 "[ . 1 . 2]" 3
6 1 7 GLU O 1 11 ASP N 3.100 . 3.100 3.140 3.003 3.284 0.184 11 0 "[ . 1 . 2]" 3
7 1 8 GLN O 1 12 PHE H 2.100 . 2.100 1.842 1.634 2.110 0.010 18 0 "[ . 1 . 2]" 3
8 1 8 GLN O 1 12 PHE N 3.100 . 3.100 2.786 2.578 3.078 . 0 0 "[ . 1 . 2]" 3
9 1 9 ILE O 1 13 LYS H 2.100 . 2.100 1.659 1.497 1.943 . 0 0 "[ . 1 . 2]" 3
10 1 9 ILE O 1 13 LYS N 3.100 . 3.100 2.609 2.405 2.908 . 0 0 "[ . 1 . 2]" 3
11 1 10 VAL O 1 14 GLU H 2.100 . 2.100 1.957 1.668 2.192 0.092 9 0 "[ . 1 . 2]" 3
12 1 10 VAL O 1 14 GLU N 3.100 . 3.100 2.809 2.504 3.056 . 0 0 "[ . 1 . 2]" 3
13 1 11 ASP O 1 15 ALA H 2.100 . 2.100 2.094 1.918 2.194 0.094 13 0 "[ . 1 . 2]" 3
14 1 11 ASP O 1 15 ALA N 3.100 . 3.100 2.971 2.817 3.053 . 0 0 "[ . 1 . 2]" 3
15 1 12 PHE O 1 16 PHE H 2.100 . 2.100 1.997 1.754 2.166 0.066 4 0 "[ . 1 . 2]" 3
16 1 12 PHE O 1 16 PHE N 3.100 . 3.100 2.929 2.698 3.074 . 0 0 "[ . 1 . 2]" 3
17 1 13 LYS O 1 17 GLY H 2.100 . 2.100 1.852 1.758 1.933 . 0 0 "[ . 1 . 2]" 3
18 1 13 LYS O 1 17 GLY N 3.100 . 3.100 2.817 2.730 2.899 . 0 0 "[ . 1 . 2]" 3
19 1 14 GLU O 1 18 LEU H 2.100 . 2.100 2.000 1.893 2.199 0.099 18 0 "[ . 1 . 2]" 3
20 1 14 GLU O 1 18 LEU N 3.100 . 3.100 2.939 2.822 3.103 0.003 18 0 "[ . 1 . 2]" 3
21 1 15 ALA O 1 19 PHE H 2.100 . 2.100 2.095 1.960 2.225 0.125 10 0 "[ . 1 . 2]" 3
22 1 15 ALA O 1 19 PHE N 3.100 . 3.100 2.966 2.848 3.082 . 0 0 "[ . 1 . 2]" 3
23 1 29 VAL O 1 33 ALA H 2.100 . 2.100 1.835 1.637 2.121 0.021 16 0 "[ . 1 . 2]" 3
24 1 29 VAL O 1 33 ALA N 3.100 . 3.100 2.787 2.611 3.066 . 0 0 "[ . 1 . 2]" 3
25 1 30 GLU O 1 34 THR H 2.100 . 2.100 2.222 2.121 2.315 0.215 14 0 "[ . 1 . 2]" 3
26 1 30 GLU O 1 34 THR N 3.100 . 3.100 3.098 3.012 3.192 0.092 14 0 "[ . 1 . 2]" 3
27 1 31 GLU O 1 35 VAL H 2.100 . 2.100 2.092 1.890 2.253 0.153 1 0 "[ . 1 . 2]" 3
28 1 31 GLU O 1 35 VAL N 3.100 . 3.100 3.003 2.823 3.159 0.059 1 0 "[ . 1 . 2]" 3
29 1 32 LEU O 1 36 ILE H 2.100 . 2.100 1.768 1.694 1.852 . 0 0 "[ . 1 . 2]" 3
30 1 32 LEU O 1 36 ILE N 3.100 . 3.100 2.743 2.675 2.818 . 0 0 "[ . 1 . 2]" 3
31 1 33 ALA O 1 37 ARG H 2.100 . 2.100 1.740 1.591 1.964 . 0 0 "[ . 1 . 2]" 3
32 1 33 ALA O 1 37 ARG N 3.100 . 3.100 2.633 2.472 2.907 . 0 0 "[ . 1 . 2]" 3
33 1 34 THR O 1 38 SER H 2.100 . 2.100 2.164 2.003 2.268 0.168 15 0 "[ . 1 . 2]" 3
34 1 34 THR O 1 38 SER N 3.100 . 3.100 3.038 2.894 3.151 0.051 15 0 "[ . 1 . 2]" 3
35 1 35 VAL O 1 39 LEU H 2.100 . 2.100 2.175 1.973 2.328 0.228 16 0 "[ . 1 . 2]" 3
36 1 35 VAL O 1 39 LEU N 3.100 . 3.100 2.997 2.687 3.207 0.107 4 0 "[ . 1 . 2]" 3
37 1 44 THR O 1 48 LEU H 2.100 . 2.100 1.969 1.557 2.178 0.078 2 0 "[ . 1 . 2]" 3
38 1 44 THR O 1 48 LEU N 3.100 . 3.100 2.933 2.517 3.130 0.030 7 0 "[ . 1 . 2]" 3
39 1 45 GLU O 1 49 GLN H 2.100 . 2.100 1.632 1.472 1.888 . 0 0 "[ . 1 . 2]" 3
40 1 45 GLU O 1 49 GLN N 3.100 . 3.100 2.571 2.422 2.800 . 0 0 "[ . 1 . 2]" 3
41 1 46 GLU O 1 50 ASP H 2.100 . 2.100 1.765 1.490 2.117 0.017 11 0 "[ . 1 . 2]" 3
42 1 46 GLU O 1 50 ASP N 3.100 . 3.100 2.733 2.430 3.084 . 0 0 "[ . 1 . 2]" 3
43 1 47 GLU O 1 51 MET H 2.100 . 2.100 1.825 1.713 2.001 . 0 0 "[ . 1 . 2]" 3
44 1 47 GLU O 1 51 MET N 3.100 . 3.100 2.705 2.583 2.863 . 0 0 "[ . 1 . 2]" 3
45 1 48 LEU O 1 52 ILE H 2.100 . 2.100 1.800 1.547 2.129 0.029 18 0 "[ . 1 . 2]" 3
46 1 48 LEU O 1 52 ILE N 3.100 . 3.100 2.736 2.502 3.048 . 0 0 "[ . 1 . 2]" 3
47 1 49 GLN O 1 53 SER H 2.100 . 2.100 1.556 1.472 1.636 . 0 0 "[ . 1 . 2]" 3
48 1 49 GLN O 1 53 SER N 3.100 . 3.100 2.499 2.414 2.578 . 0 0 "[ . 1 . 2]" 3
49 1 50 ASP O 1 54 GLU H 2.100 . 2.100 1.987 1.904 2.069 . 0 0 "[ . 1 . 2]" 3
50 1 50 ASP O 1 54 GLU N 3.100 . 3.100 2.870 2.769 2.958 . 0 0 "[ . 1 . 2]" 3
51 1 65 PHE O 1 69 LEU H 2.100 . 2.100 1.754 1.574 1.954 . 0 0 "[ . 1 . 2]" 3
52 1 65 PHE O 1 69 LEU N 3.100 . 3.100 2.675 2.504 2.809 . 0 0 "[ . 1 . 2]" 3
53 1 66 ASP O 1 70 SER H 2.100 . 2.100 2.079 1.711 2.223 0.123 9 0 "[ . 1 . 2]" 3
54 1 66 ASP O 1 70 SER N 3.100 . 3.100 2.989 2.675 3.124 0.024 17 0 "[ . 1 . 2]" 3
55 1 67 GLU O 1 71 LEU H 2.100 . 2.100 1.978 1.764 2.230 0.130 11 0 "[ . 1 . 2]" 3
56 1 67 GLU O 1 71 LEU N 3.100 . 3.100 2.930 2.699 3.181 0.081 11 0 "[ . 1 . 2]" 3
57 1 68 PHE O 1 72 MET H 2.100 . 2.100 2.020 1.604 2.216 0.116 13 0 "[ . 1 . 2]" 3
58 1 68 PHE O 1 72 MET N 3.100 . 3.100 2.949 2.550 3.192 0.092 13 0 "[ . 1 . 2]" 3
59 1 69 LEU O 1 73 ALA H 2.100 . 2.100 1.982 1.676 2.172 0.072 16 0 "[ . 1 . 2]" 3
60 1 69 LEU O 1 73 ALA N 3.100 . 3.100 2.938 2.595 3.142 0.042 16 0 "[ . 1 . 2]" 3
61 1 70 SER O 1 74 LYS H 2.100 . 2.100 1.723 1.433 2.076 . 0 0 "[ . 1 . 2]" 3
62 1 70 SER O 1 74 LYS N 3.100 . 3.100 2.589 2.323 3.049 . 0 0 "[ . 1 . 2]" 3
63 1 71 LEU O 1 75 LYS H 2.100 . 2.100 2.271 2.152 2.354 0.254 12 0 "[ . 1 . 2]" 3
64 1 71 LEU O 1 75 LYS N 3.100 . 3.100 3.035 2.836 3.165 0.065 13 0 "[ . 1 . 2]" 3
65 1 72 MET O 1 76 VAL H 2.100 . 2.100 2.027 1.844 2.197 0.097 19 0 "[ . 1 . 2]" 3
66 1 72 MET O 1 76 VAL N 3.100 . 3.100 2.912 2.625 3.153 0.053 19 0 "[ . 1 . 2]" 3
67 1 73 ALA O 1 77 LYS H 2.100 . 2.100 2.168 1.456 2.393 0.293 4 0 "[ . 1 . 2]" 3
68 1 73 ALA O 1 77 LYS N 3.100 . 3.100 2.429 2.327 2.699 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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