NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405632 |
1x65   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x65
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 1109
_Distance_constraint_stats_list.Viol_count 133
_Distance_constraint_stats_list.Viol_total 7.000
_Distance_constraint_stats_list.Viol_max 0.033
_Distance_constraint_stats_list.Viol_rms 0.0004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0026
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLU 0.002 0.002 17 0 "[ . 1 . 2]"
1 10 MET 0.023 0.020 17 0 "[ . 1 . 2]"
1 11 GLY 0.001 0.001 19 0 "[ . 1 . 2]"
1 12 VAL 0.001 0.000 10 0 "[ . 1 . 2]"
1 13 ILE 0.012 0.004 16 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 MET 0.013 0.006 19 0 "[ . 1 . 2]"
1 17 ARG 0.015 0.006 19 0 "[ . 1 . 2]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.001 0.001 9 0 "[ . 1 . 2]"
1 20 PHE 0.005 0.003 16 0 "[ . 1 . 2]"
1 21 GLY 0.001 0.001 14 0 "[ . 1 . 2]"
1 22 PHE 0.002 0.001 14 0 "[ . 1 . 2]"
1 23 ILE 0.012 0.004 16 0 "[ . 1 . 2]"
1 24 LYS 0.001 0.001 10 0 "[ . 1 . 2]"
1 25 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.008 0.008 14 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ARG 0.000 0.000 12 0 "[ . 1 . 2]"
1 29 ASP 0.012 0.012 18 0 "[ . 1 . 2]"
1 30 VAL 0.012 0.012 18 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 MET 0.002 0.001 16 0 "[ . 1 . 2]"
1 33 PHE 0.002 0.001 14 0 "[ . 1 . 2]"
1 34 PHE 0.006 0.002 18 0 "[ . 1 . 2]"
1 35 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PHE 0.005 0.003 16 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.009 0.005 17 0 "[ . 1 . 2]"
1 39 ILE 0.019 0.005 18 0 "[ . 1 . 2]"
1 40 LEU 0.028 0.006 18 0 "[ . 1 . 2]"
1 41 ASP 0.009 0.005 18 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASN 0.023 0.009 18 0 "[ . 1 . 2]"
1 44 GLN 0.003 0.002 17 0 "[ . 1 . 2]"
1 45 LEU 0.005 0.004 14 0 "[ . 1 . 2]"
1 46 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.003 0.002 14 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 14 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLU 0.009 0.008 10 0 "[ . 1 . 2]"
1 51 VAL 0.002 0.002 14 0 "[ . 1 . 2]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PHE 0.001 0.001 20 0 "[ . 1 . 2]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 0.001 0.001 16 0 "[ . 1 . 2]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASP 0.001 0.001 8 0 "[ . 1 . 2]"
1 59 MET 0.019 0.008 12 0 "[ . 1 . 2]"
1 60 LEU 0.011 0.008 12 0 "[ . 1 . 2]"
1 61 SER 0.050 0.033 20 0 "[ . 1 . 2]"
1 62 ALA 0.040 0.033 20 0 "[ . 1 . 2]"
1 63 GLN 0.028 0.018 18 0 "[ . 1 . 2]"
1 64 ARG 0.024 0.018 18 0 "[ . 1 . 2]"
1 65 ASN 0.006 0.003 8 0 "[ . 1 . 2]"
1 66 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.004 0.002 18 0 "[ . 1 . 2]"
1 68 ILE 0.001 0.000 15 0 "[ . 1 . 2]"
1 69 ARG 0.006 0.003 18 0 "[ . 1 . 2]"
1 70 ILE 0.023 0.006 18 0 "[ . 1 . 2]"
1 71 LYS 0.005 0.002 14 0 "[ . 1 . 2]"
1 72 LYS 0.051 0.016 13 0 "[ . 1 . 2]"
1 73 LEU 0.050 0.016 13 0 "[ . 1 . 2]"
1 74 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 0.003 0.003 6 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.008 0.008 12 0 "[ . 1 . 2]"
1 79 SER 0.016 0.012 18 0 "[ . 1 . 2]"
1 80 PHE 0.007 0.004 18 0 "[ . 1 . 2]"
1 81 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 SER H 1 3 SER QB . . 3.630 2.749 2.161 3.387 . 0 0 "[ . 1 . 2]" 1
2 1 3 SER HA 1 4 GLY H . . 3.370 2.311 2.145 2.776 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 8 ARG H . . 2.850 2.360 2.112 2.692 . 0 0 "[ . 1 . 2]" 1
4 1 8 ARG H 1 8 ARG QB . . 2.990 2.575 2.226 2.990 . 0 0 "[ . 1 . 2]" 1
5 1 8 ARG H 1 8 ARG HD2 . . 5.500 3.930 1.942 5.043 . 0 0 "[ . 1 . 2]" 1
6 1 8 ARG H 1 8 ARG QD . . 4.790 3.439 1.908 4.515 . 0 0 "[ . 1 . 2]" 1
7 1 8 ARG H 1 8 ARG HD3 . . 5.500 4.154 1.917 5.497 . 0 0 "[ . 1 . 2]" 1
8 1 8 ARG H 1 8 ARG QG . . 3.320 2.547 1.937 3.293 . 0 0 "[ . 1 . 2]" 1
9 1 8 ARG H 1 9 GLU H . . 4.660 4.463 4.249 4.592 . 0 0 "[ . 1 . 2]" 1
10 1 8 ARG HA 1 8 ARG QD . . 4.560 3.918 2.735 4.256 . 0 0 "[ . 1 . 2]" 1
11 1 8 ARG HA 1 9 GLU H . . 3.300 2.187 2.141 2.374 . 0 0 "[ . 1 . 2]" 1
12 1 8 ARG HA 1 53 PHE H . . 4.660 4.454 4.114 4.657 . 0 0 "[ . 1 . 2]" 1
13 1 8 ARG QB 1 8 ARG QD . . 3.220 2.097 1.967 2.266 . 0 0 "[ . 1 . 2]" 1
14 1 8 ARG QB 1 9 GLU H . . 3.640 3.084 2.481 3.400 . 0 0 "[ . 1 . 2]" 1
15 1 8 ARG QB 1 52 GLU QB . . 4.270 4.145 3.851 4.266 . 0 0 "[ . 1 . 2]" 1
16 1 8 ARG QB 1 52 GLU QG . . 3.580 2.240 1.970 2.421 . 0 0 "[ . 1 . 2]" 1
17 1 8 ARG HB2 1 52 GLU HG2 . . 4.690 3.475 2.320 4.334 . 0 0 "[ . 1 . 2]" 1
18 1 8 ARG HB2 1 52 GLU HG3 . . 4.690 3.542 2.204 4.659 . 0 0 "[ . 1 . 2]" 1
19 1 8 ARG HB3 1 52 GLU HG2 . . 4.690 2.918 2.025 4.369 . 0 0 "[ . 1 . 2]" 1
20 1 8 ARG HB3 1 52 GLU HG3 . . 4.690 3.281 2.045 4.602 . 0 0 "[ . 1 . 2]" 1
21 1 8 ARG HE 1 8 ARG QG . . 3.580 2.435 2.093 3.009 . 0 0 "[ . 1 . 2]" 1
22 1 8 ARG QG 1 52 GLU QG . . 5.130 3.340 2.255 3.940 . 0 0 "[ . 1 . 2]" 1
23 1 9 GLU H 1 9 GLU HB2 . . 4.030 2.533 2.324 2.810 . 0 0 "[ . 1 . 2]" 1
24 1 9 GLU H 1 9 GLU HB3 . . 4.030 3.704 3.576 3.862 . 0 0 "[ . 1 . 2]" 1
25 1 9 GLU H 1 9 GLU HG2 . . 4.360 3.345 2.673 4.358 . 0 0 "[ . 1 . 2]" 1
26 1 9 GLU H 1 9 GLU QG . . 3.630 2.929 2.611 3.464 . 0 0 "[ . 1 . 2]" 1
27 1 9 GLU H 1 9 GLU HG3 . . 4.360 3.571 2.668 4.228 . 0 0 "[ . 1 . 2]" 1
28 1 9 GLU H 1 52 GLU QG . . 4.560 3.990 3.408 4.379 . 0 0 "[ . 1 . 2]" 1
29 1 9 GLU H 1 53 PHE H . . 3.510 3.326 2.911 3.509 . 0 0 "[ . 1 . 2]" 1
30 1 9 GLU HA 1 10 MET H . . 3.100 2.321 2.254 2.473 . 0 0 "[ . 1 . 2]" 1
31 1 9 GLU HA 1 10 MET ME . . 4.950 4.763 4.354 4.952 0.002 17 0 "[ . 1 . 2]" 1
32 1 9 GLU QB 1 10 MET H . . 3.090 2.598 2.248 2.763 . 0 0 "[ . 1 . 2]" 1
33 1 9 GLU QB 1 55 VAL QG . . 4.380 2.969 1.944 3.979 . 0 0 "[ . 1 . 2]" 1
34 1 9 GLU HB2 1 10 MET H . . 3.930 3.819 3.498 3.929 . 0 0 "[ . 1 . 2]" 1
35 1 9 GLU HB3 1 10 MET H . . 3.930 2.645 2.275 2.832 . 0 0 "[ . 1 . 2]" 1
36 1 9 GLU QG 1 10 MET H . . 4.560 4.123 3.766 4.523 . 0 0 "[ . 1 . 2]" 1
37 1 10 MET H 1 10 MET HB2 . . 4.150 2.749 2.469 3.871 . 0 0 "[ . 1 . 2]" 1
38 1 10 MET H 1 10 MET QB . . 3.510 2.665 2.433 3.242 . 0 0 "[ . 1 . 2]" 1
39 1 10 MET H 1 10 MET HB3 . . 4.150 3.767 3.480 3.956 . 0 0 "[ . 1 . 2]" 1
40 1 10 MET H 1 10 MET ME . . 4.660 4.343 3.959 4.658 . 0 0 "[ . 1 . 2]" 1
41 1 10 MET H 1 10 MET HG2 . . 4.360 4.109 2.154 4.360 . 0 0 "[ . 1 . 2]" 1
42 1 10 MET H 1 10 MET QG . . 3.700 3.140 2.138 3.488 . 0 0 "[ . 1 . 2]" 1
43 1 10 MET H 1 10 MET HG3 . . 4.360 3.328 2.605 3.669 . 0 0 "[ . 1 . 2]" 1
44 1 10 MET H 1 11 GLY H . . 4.660 4.467 4.253 4.547 . 0 0 "[ . 1 . 2]" 1
45 1 10 MET H 1 73 LEU MD1 . . 5.230 5.040 4.813 5.225 . 0 0 "[ . 1 . 2]" 1
46 1 10 MET H 1 78 VAL QG . . 4.620 4.299 3.713 4.612 . 0 0 "[ . 1 . 2]" 1
47 1 10 MET HA 1 10 MET HG2 . . 4.000 3.405 2.573 3.683 . 0 0 "[ . 1 . 2]" 1
48 1 10 MET HA 1 10 MET QG . . 3.510 2.487 2.322 3.331 . 0 0 "[ . 1 . 2]" 1
49 1 10 MET HA 1 10 MET HG3 . . 4.000 2.670 2.355 4.020 0.020 17 0 "[ . 1 . 2]" 1
50 1 10 MET HA 1 11 GLY H . . 3.170 2.301 2.193 2.358 . 0 0 "[ . 1 . 2]" 1
51 1 10 MET HA 1 51 VAL H . . 4.330 4.036 3.831 4.317 . 0 0 "[ . 1 . 2]" 1
52 1 10 MET HA 1 52 GLU HA . . 3.630 2.870 2.640 3.082 . 0 0 "[ . 1 . 2]" 1
53 1 10 MET HA 1 53 PHE H . . 4.000 3.870 3.531 4.001 0.001 12 0 "[ . 1 . 2]" 1
54 1 10 MET HA 1 53 PHE QE . . 4.660 3.866 3.177 4.421 . 0 0 "[ . 1 . 2]" 1
55 1 10 MET HA 1 78 VAL QG . . 4.620 4.003 3.679 4.395 . 0 0 "[ . 1 . 2]" 1
56 1 10 MET QB 1 11 GLY H . . 3.330 2.674 2.528 3.005 . 0 0 "[ . 1 . 2]" 1
57 1 10 MET QB 1 73 LEU MD1 . . 3.820 2.501 1.880 2.998 . 0 0 "[ . 1 . 2]" 1
58 1 10 MET QB 1 78 VAL QG . . 3.130 2.033 1.781 2.647 . 0 0 "[ . 1 . 2]" 1
59 1 10 MET HB2 1 11 GLY H . . 4.000 3.704 2.762 3.980 . 0 0 "[ . 1 . 2]" 1
60 1 10 MET HB2 1 78 VAL MG1 . . 5.350 2.941 2.127 3.942 . 0 0 "[ . 1 . 2]" 1
61 1 10 MET HB2 1 78 VAL MG2 . . 5.350 2.668 2.062 3.586 . 0 0 "[ . 1 . 2]" 1
62 1 10 MET HB3 1 11 GLY H . . 4.000 2.793 2.576 3.835 . 0 0 "[ . 1 . 2]" 1
63 1 10 MET HB3 1 78 VAL MG1 . . 5.350 3.028 2.054 5.169 . 0 0 "[ . 1 . 2]" 1
64 1 10 MET HB3 1 78 VAL MG2 . . 5.350 2.458 1.983 3.953 . 0 0 "[ . 1 . 2]" 1
65 1 10 MET ME 1 10 MET HG2 . . 4.020 2.339 1.998 3.392 . 0 0 "[ . 1 . 2]" 1
66 1 10 MET ME 1 10 MET HG3 . . 4.020 2.919 2.306 3.215 . 0 0 "[ . 1 . 2]" 1
67 1 10 MET ME 1 73 LEU MD1 . . 3.230 2.865 2.119 3.230 . 0 0 "[ . 1 . 2]" 1
68 1 10 MET ME 1 73 LEU MD2 . . 3.580 3.448 3.251 3.579 . 0 0 "[ . 1 . 2]" 1
69 1 10 MET ME 1 77 THR MG . . 3.170 2.280 1.885 2.671 . 0 0 "[ . 1 . 2]" 1
70 1 10 MET ME 1 78 VAL HA . . 4.360 3.780 3.164 4.301 . 0 0 "[ . 1 . 2]" 1
71 1 10 MET ME 1 78 VAL MG1 . . 4.060 3.762 2.971 4.057 . 0 0 "[ . 1 . 2]" 1
72 1 10 MET ME 1 78 VAL QG . . 3.510 2.597 1.893 3.477 . 0 0 "[ . 1 . 2]" 1
73 1 10 MET ME 1 78 VAL MG2 . . 4.060 2.675 1.915 3.800 . 0 0 "[ . 1 . 2]" 1
74 1 10 MET QG 1 11 GLY H . . 5.090 4.044 3.847 4.395 . 0 0 "[ . 1 . 2]" 1
75 1 10 MET QG 1 52 GLU HA . . 4.270 2.882 2.076 4.203 . 0 0 "[ . 1 . 2]" 1
76 1 10 MET QG 1 73 LEU MD1 . . 3.460 1.970 1.727 2.949 . 0 0 "[ . 1 . 2]" 1
77 1 10 MET QG 1 73 LEU MD2 . . 4.560 3.346 2.472 4.527 . 0 0 "[ . 1 . 2]" 1
78 1 10 MET QG 1 78 VAL QG . . 4.060 2.655 1.960 3.865 . 0 0 "[ . 1 . 2]" 1
79 1 10 MET HG2 1 73 LEU MD1 . . 4.000 2.095 1.847 3.833 . 0 0 "[ . 1 . 2]" 1
80 1 10 MET HG2 1 78 VAL MG1 . . 6.420 4.100 3.240 6.007 . 0 0 "[ . 1 . 2]" 1
81 1 10 MET HG2 1 78 VAL MG2 . . 6.420 2.977 2.101 4.736 . 0 0 "[ . 1 . 2]" 1
82 1 10 MET HG3 1 73 LEU MD1 . . 4.000 2.616 1.935 3.675 . 0 0 "[ . 1 . 2]" 1
83 1 10 MET HG3 1 78 VAL MG1 . . 6.420 4.752 2.940 5.877 . 0 0 "[ . 1 . 2]" 1
84 1 10 MET HG3 1 78 VAL MG2 . . 6.420 3.892 2.009 4.734 . 0 0 "[ . 1 . 2]" 1
85 1 11 GLY H 1 23 ILE MG . . 3.880 3.475 3.011 3.881 0.001 19 0 "[ . 1 . 2]" 1
86 1 11 GLY H 1 52 GLU HA . . 4.660 4.500 4.214 4.654 . 0 0 "[ . 1 . 2]" 1
87 1 11 GLY H 1 53 PHE QE . . 4.000 3.700 3.067 3.997 . 0 0 "[ . 1 . 2]" 1
88 1 11 GLY H 1 73 LEU MD1 . . 4.660 3.888 3.404 4.490 . 0 0 "[ . 1 . 2]" 1
89 1 11 GLY H 1 78 VAL MG1 . . 4.410 4.059 3.354 4.402 . 0 0 "[ . 1 . 2]" 1
90 1 11 GLY H 1 78 VAL MG2 . . 4.410 4.146 3.527 4.383 . 0 0 "[ . 1 . 2]" 1
91 1 11 GLY QA 1 12 VAL H . . 3.070 2.240 2.151 2.282 . 0 0 "[ . 1 . 2]" 1
92 1 11 GLY QA 1 23 ILE MG . . 3.480 2.352 1.998 2.897 . 0 0 "[ . 1 . 2]" 1
93 1 11 GLY QA 1 26 VAL H . . 3.720 3.238 2.308 3.654 . 0 0 "[ . 1 . 2]" 1
94 1 11 GLY QA 1 26 VAL QG . . 3.700 2.722 2.145 3.248 . 0 0 "[ . 1 . 2]" 1
95 1 12 VAL H 1 12 VAL HB . . 4.000 3.709 3.606 3.811 . 0 0 "[ . 1 . 2]" 1
96 1 12 VAL H 1 12 VAL MG1 . . 3.880 2.894 2.585 3.283 . 0 0 "[ . 1 . 2]" 1
97 1 12 VAL H 1 12 VAL MG2 . . 3.540 2.008 1.890 2.242 . 0 0 "[ . 1 . 2]" 1
98 1 12 VAL H 1 23 ILE MG . . 3.460 3.026 2.467 3.407 . 0 0 "[ . 1 . 2]" 1
99 1 12 VAL H 1 24 LYS H . . 3.880 3.545 3.057 3.877 . 0 0 "[ . 1 . 2]" 1
100 1 12 VAL H 1 26 VAL H . . 5.230 5.013 4.173 5.228 . 0 0 "[ . 1 . 2]" 1
101 1 12 VAL H 1 26 VAL QG . . 4.620 4.032 3.706 4.578 . 0 0 "[ . 1 . 2]" 1
102 1 12 VAL H 1 80 PHE HZ . . 4.630 4.050 3.059 4.629 . 0 0 "[ . 1 . 2]" 1
103 1 12 VAL HA 1 12 VAL MG1 . . 3.550 2.239 2.092 2.367 . 0 0 "[ . 1 . 2]" 1
104 1 12 VAL HA 1 13 ILE H . . 3.100 2.211 2.141 2.295 . 0 0 "[ . 1 . 2]" 1
105 1 12 VAL HA 1 50 GLU HA . . 4.360 3.072 2.674 3.382 . 0 0 "[ . 1 . 2]" 1
106 1 12 VAL HA 1 51 VAL H . . 4.410 4.185 3.934 4.386 . 0 0 "[ . 1 . 2]" 1
107 1 12 VAL HA 1 51 VAL MG2 . . 4.410 4.041 3.539 4.387 . 0 0 "[ . 1 . 2]" 1
108 1 12 VAL HB 1 13 ILE H . . 3.780 2.971 2.675 3.415 . 0 0 "[ . 1 . 2]" 1
109 1 12 VAL HB 1 48 ALA H . . 4.890 4.197 3.647 4.586 . 0 0 "[ . 1 . 2]" 1
110 1 12 VAL HB 1 48 ALA HA . . 4.150 2.367 2.121 2.633 . 0 0 "[ . 1 . 2]" 1
111 1 12 VAL HB 1 80 PHE HZ . . 4.950 4.594 4.069 4.950 0.000 10 0 "[ . 1 . 2]" 1
112 1 12 VAL MG1 1 13 ILE H . . 3.880 3.762 3.519 3.879 . 0 0 "[ . 1 . 2]" 1
113 1 12 VAL MG1 1 26 VAL QG . . 4.100 3.602 3.195 4.021 . 0 0 "[ . 1 . 2]" 1
114 1 12 VAL MG1 1 48 ALA HA . . 3.670 3.435 3.108 3.670 0.000 14 0 "[ . 1 . 2]" 1
115 1 12 VAL MG1 1 48 ALA MB . . 3.770 3.472 2.655 3.755 . 0 0 "[ . 1 . 2]" 1
116 1 12 VAL MG1 1 50 GLU H . . 4.660 3.922 2.916 4.489 . 0 0 "[ . 1 . 2]" 1
117 1 12 VAL MG1 1 50 GLU HA . . 4.150 3.183 2.909 3.484 . 0 0 "[ . 1 . 2]" 1
118 1 12 VAL MG1 1 50 GLU HG2 . . 3.880 3.353 3.038 3.815 . 0 0 "[ . 1 . 2]" 1
119 1 12 VAL MG1 1 50 GLU HG3 . . 3.880 2.961 1.992 3.585 . 0 0 "[ . 1 . 2]" 1
120 1 12 VAL MG1 1 80 PHE QE . . 3.460 2.427 1.955 3.236 . 0 0 "[ . 1 . 2]" 1
121 1 12 VAL MG1 1 80 PHE HZ . . 3.510 2.715 2.043 3.474 . 0 0 "[ . 1 . 2]" 1
122 1 12 VAL MG2 1 13 ILE H . . 4.360 3.908 3.661 4.171 . 0 0 "[ . 1 . 2]" 1
123 1 12 VAL MG2 1 14 ALA MB . . 5.020 3.830 3.308 4.325 . 0 0 "[ . 1 . 2]" 1
124 1 12 VAL MG2 1 23 ILE MG . . 4.550 3.925 3.624 4.166 . 0 0 "[ . 1 . 2]" 1
125 1 12 VAL MG2 1 24 LYS H . . 4.360 3.052 2.665 3.424 . 0 0 "[ . 1 . 2]" 1
126 1 12 VAL MG2 1 24 LYS HB2 . . 4.000 3.562 3.166 3.979 . 0 0 "[ . 1 . 2]" 1
127 1 12 VAL MG2 1 24 LYS QB . . 3.300 2.146 1.937 2.433 . 0 0 "[ . 1 . 2]" 1
128 1 12 VAL MG2 1 24 LYS HB3 . . 4.000 2.164 1.952 2.455 . 0 0 "[ . 1 . 2]" 1
129 1 12 VAL MG2 1 24 LYS QD . . 4.560 3.254 1.920 4.491 . 0 0 "[ . 1 . 2]" 1
130 1 12 VAL MG2 1 24 LYS HE2 . . 4.680 3.309 2.093 4.656 . 0 0 "[ . 1 . 2]" 1
131 1 12 VAL MG2 1 24 LYS QE . . 3.890 3.001 2.078 3.737 . 0 0 "[ . 1 . 2]" 1
132 1 12 VAL MG2 1 24 LYS HE3 . . 4.680 3.736 2.692 4.597 . 0 0 "[ . 1 . 2]" 1
133 1 12 VAL MG2 1 26 VAL QG . . 4.740 3.788 3.389 4.481 . 0 0 "[ . 1 . 2]" 1
134 1 12 VAL MG2 1 48 ALA HA . . 4.150 3.767 3.378 4.105 . 0 0 "[ . 1 . 2]" 1
135 1 12 VAL MG2 1 48 ALA MB . . 4.360 4.026 3.344 4.322 . 0 0 "[ . 1 . 2]" 1
136 1 12 VAL MG2 1 80 PHE QE . . 3.700 3.011 2.332 3.569 . 0 0 "[ . 1 . 2]" 1
137 1 12 VAL MG2 1 80 PHE HZ . . 3.460 2.101 1.818 2.684 . 0 0 "[ . 1 . 2]" 1
138 1 13 ILE H 1 13 ILE HB . . 3.410 2.551 2.470 2.654 . 0 0 "[ . 1 . 2]" 1
139 1 13 ILE H 1 13 ILE MD . . 4.010 3.098 2.601 3.747 . 0 0 "[ . 1 . 2]" 1
140 1 13 ILE H 1 13 ILE HG12 . . 3.780 2.189 1.916 2.425 . 0 0 "[ . 1 . 2]" 1
141 1 13 ILE H 1 13 ILE QG . . 3.150 2.172 1.907 2.391 . 0 0 "[ . 1 . 2]" 1
142 1 13 ILE H 1 13 ILE HG13 . . 3.780 3.635 3.405 3.777 . 0 0 "[ . 1 . 2]" 1
143 1 13 ILE H 1 13 ILE MG . . 4.360 3.769 3.758 3.783 . 0 0 "[ . 1 . 2]" 1
144 1 13 ILE H 1 23 ILE MG . . 4.580 3.928 3.431 4.407 . 0 0 "[ . 1 . 2]" 1
145 1 13 ILE H 1 48 ALA H . . 4.360 3.426 2.395 4.048 . 0 0 "[ . 1 . 2]" 1
146 1 13 ILE H 1 49 ASP H . . 4.360 2.125 1.799 2.678 . 0 0 "[ . 1 . 2]" 1
147 1 13 ILE H 1 51 VAL MG1 . . 4.670 4.409 3.894 4.669 . 0 0 "[ . 1 . 2]" 1
148 1 13 ILE H 1 51 VAL MG2 . . 4.660 4.287 3.475 4.648 . 0 0 "[ . 1 . 2]" 1
149 1 13 ILE HA 1 13 ILE MD . . 3.330 2.024 1.915 2.238 . 0 0 "[ . 1 . 2]" 1
150 1 13 ILE HA 1 13 ILE MG . . 3.460 2.334 2.205 2.463 . 0 0 "[ . 1 . 2]" 1
151 1 13 ILE HA 1 14 ALA H . . 3.120 2.172 2.140 2.291 . 0 0 "[ . 1 . 2]" 1
152 1 13 ILE HA 1 14 ALA MB . . 4.360 3.973 3.847 4.072 . 0 0 "[ . 1 . 2]" 1
153 1 13 ILE HA 1 15 ALA H . . 4.000 3.617 3.192 3.960 . 0 0 "[ . 1 . 2]" 1
154 1 13 ILE HA 1 23 ILE HA . . 3.880 2.358 2.173 2.615 . 0 0 "[ . 1 . 2]" 1
155 1 13 ILE HA 1 23 ILE HG13 . . 5.150 3.944 3.389 4.444 . 0 0 "[ . 1 . 2]" 1
156 1 13 ILE HA 1 23 ILE MG . . 4.660 3.271 2.820 3.707 . 0 0 "[ . 1 . 2]" 1
157 1 13 ILE HA 1 24 LYS H . . 4.360 3.655 3.360 4.085 . 0 0 "[ . 1 . 2]" 1
158 1 13 ILE HB 1 47 ILE HA . . 3.700 3.047 2.412 3.697 . 0 0 "[ . 1 . 2]" 1
159 1 13 ILE HB 1 48 ALA H . . 3.560 2.374 1.917 2.980 . 0 0 "[ . 1 . 2]" 1
160 1 13 ILE HB 1 49 ASP H . . 3.880 2.647 2.259 3.802 . 0 0 "[ . 1 . 2]" 1
161 1 13 ILE MD 1 13 ILE MG . . 3.040 2.098 1.916 2.394 . 0 0 "[ . 1 . 2]" 1
162 1 13 ILE MD 1 14 ALA H . . 4.150 3.662 3.357 3.940 . 0 0 "[ . 1 . 2]" 1
163 1 13 ILE MD 1 15 ALA H . . 4.660 4.317 4.011 4.630 . 0 0 "[ . 1 . 2]" 1
164 1 13 ILE MD 1 23 ILE H . . 4.910 4.620 4.350 4.878 . 0 0 "[ . 1 . 2]" 1
165 1 13 ILE MD 1 23 ILE HA . . 4.360 2.978 2.777 3.152 . 0 0 "[ . 1 . 2]" 1
166 1 13 ILE MD 1 23 ILE HB . . 4.120 4.109 4.051 4.124 0.004 16 0 "[ . 1 . 2]" 1
167 1 13 ILE MD 1 23 ILE MD . . 3.270 2.813 2.522 3.117 . 0 0 "[ . 1 . 2]" 1
168 1 13 ILE MD 1 23 ILE HG12 . . 3.630 1.860 1.777 2.003 . 0 0 "[ . 1 . 2]" 1
169 1 13 ILE MD 1 23 ILE HG13 . . 3.570 2.841 2.185 3.457 . 0 0 "[ . 1 . 2]" 1
170 1 13 ILE MD 1 34 PHE QD . . 4.360 3.807 3.157 4.254 . 0 0 "[ . 1 . 2]" 1
171 1 13 ILE MD 1 34 PHE QE . . 3.630 2.663 2.100 3.246 . 0 0 "[ . 1 . 2]" 1
172 1 13 ILE MD 1 34 PHE HZ . . 3.700 3.069 2.390 3.559 . 0 0 "[ . 1 . 2]" 1
173 1 13 ILE MD 1 49 ASP QB . . 4.530 4.127 3.376 4.522 . 0 0 "[ . 1 . 2]" 1
174 1 13 ILE QG 1 49 ASP H . . 4.360 2.733 1.900 3.311 . 0 0 "[ . 1 . 2]" 1
175 1 13 ILE QG 1 49 ASP QB . . 3.810 2.718 2.051 3.172 . 0 0 "[ . 1 . 2]" 1
176 1 13 ILE QG 1 51 VAL MG2 . . 4.270 3.268 2.563 3.823 . 0 0 "[ . 1 . 2]" 1
177 1 13 ILE HG12 1 49 ASP H . . 5.230 2.815 1.911 3.561 . 0 0 "[ . 1 . 2]" 1
178 1 13 ILE HG13 1 49 ASP H . . 5.230 3.828 3.324 4.211 . 0 0 "[ . 1 . 2]" 1
179 1 13 ILE MG 1 14 ALA H . . 3.780 2.760 2.216 3.516 . 0 0 "[ . 1 . 2]" 1
180 1 13 ILE MG 1 15 ALA H . . 3.300 2.318 1.896 3.001 . 0 0 "[ . 1 . 2]" 1
181 1 13 ILE MG 1 16 MET HB2 . . 4.950 3.885 3.368 4.303 . 0 0 "[ . 1 . 2]" 1
182 1 13 ILE MG 1 16 MET QB . . 4.340 3.295 1.997 3.856 . 0 0 "[ . 1 . 2]" 1
183 1 13 ILE MG 1 16 MET HB3 . . 4.950 3.763 2.012 4.521 . 0 0 "[ . 1 . 2]" 1
184 1 13 ILE MG 1 16 MET ME . . 4.140 3.448 2.981 3.912 . 0 0 "[ . 1 . 2]" 1
185 1 13 ILE MG 1 16 MET HG2 . . 3.880 2.151 1.886 2.698 . 0 0 "[ . 1 . 2]" 1
186 1 13 ILE MG 1 16 MET HG3 . . 3.880 2.716 1.874 3.755 . 0 0 "[ . 1 . 2]" 1
187 1 13 ILE MG 1 22 PHE H . . 4.660 2.914 2.636 3.322 . 0 0 "[ . 1 . 2]" 1
188 1 13 ILE MG 1 34 PHE QE . . 4.000 2.907 2.490 3.363 . 0 0 "[ . 1 . 2]" 1
189 1 13 ILE MG 1 34 PHE HZ . . 4.150 2.983 2.316 3.759 . 0 0 "[ . 1 . 2]" 1
190 1 13 ILE MG 1 47 ILE HA . . 3.200 2.972 2.486 3.202 0.002 14 0 "[ . 1 . 2]" 1
191 1 13 ILE MG 1 48 ALA H . . 3.780 3.367 3.057 3.648 . 0 0 "[ . 1 . 2]" 1
192 1 14 ALA H 1 14 ALA MB . . 3.300 2.229 2.070 2.489 . 0 0 "[ . 1 . 2]" 1
193 1 14 ALA H 1 15 ALA H . . 3.020 2.278 1.819 2.650 . 0 0 "[ . 1 . 2]" 1
194 1 14 ALA H 1 15 ALA MB . . 4.950 4.326 3.852 4.698 . 0 0 "[ . 1 . 2]" 1
195 1 14 ALA H 1 23 ILE HA . . 3.630 2.777 2.350 3.232 . 0 0 "[ . 1 . 2]" 1
196 1 14 ALA H 1 23 ILE HG13 . . 5.380 4.694 4.270 5.140 . 0 0 "[ . 1 . 2]" 1
197 1 14 ALA MB 1 15 ALA H . . 3.460 2.880 2.520 3.129 . 0 0 "[ . 1 . 2]" 1
198 1 14 ALA MB 1 22 PHE HB2 . . 4.000 2.708 2.184 3.497 . 0 0 "[ . 1 . 2]" 1
199 1 14 ALA MB 1 22 PHE HB3 . . 3.880 2.792 2.297 3.420 . 0 0 "[ . 1 . 2]" 1
200 1 14 ALA MB 1 23 ILE HA . . 4.360 3.740 3.389 4.075 . 0 0 "[ . 1 . 2]" 1
201 1 14 ALA MB 1 24 LYS H . . 3.780 3.078 2.561 3.716 . 0 0 "[ . 1 . 2]" 1
202 1 14 ALA MB 1 24 LYS HB2 . . 3.880 2.816 2.434 3.372 . 0 0 "[ . 1 . 2]" 1
203 1 14 ALA MB 1 24 LYS QB . . 3.130 2.699 2.307 3.086 . 0 0 "[ . 1 . 2]" 1
204 1 14 ALA MB 1 24 LYS HB3 . . 3.880 3.497 2.860 3.869 . 0 0 "[ . 1 . 2]" 1
205 1 14 ALA MB 1 31 ARG QD . . 4.270 3.612 2.441 4.270 . 0 0 "[ . 1 . 2]" 1
206 1 15 ALA H 1 15 ALA MB . . 3.410 2.676 2.421 2.884 . 0 0 "[ . 1 . 2]" 1
207 1 15 ALA H 1 16 MET H . . 4.660 4.364 4.205 4.490 . 0 0 "[ . 1 . 2]" 1
208 1 15 ALA H 1 22 PHE H . . 3.630 2.710 2.161 3.169 . 0 0 "[ . 1 . 2]" 1
209 1 15 ALA H 1 22 PHE HB2 . . 4.150 2.852 2.372 3.515 . 0 0 "[ . 1 . 2]" 1
210 1 15 ALA H 1 22 PHE HB3 . . 4.660 4.092 3.618 4.654 . 0 0 "[ . 1 . 2]" 1
211 1 15 ALA HA 1 16 MET H . . 2.870 2.333 2.180 2.458 . 0 0 "[ . 1 . 2]" 1
212 1 15 ALA HA 1 47 ILE MD . . 3.630 2.905 2.392 3.350 . 0 0 "[ . 1 . 2]" 1
213 1 15 ALA MB 1 16 MET H . . 3.410 2.572 2.260 3.032 . 0 0 "[ . 1 . 2]" 1
214 1 15 ALA MB 1 17 ARG QD . . 4.560 3.334 2.042 4.555 . 0 0 "[ . 1 . 2]" 1
215 1 15 ALA MB 1 17 ARG QG . . 4.270 3.337 2.415 4.270 . 0 0 "[ . 1 . 2]" 1
216 1 15 ALA MB 1 21 GLY QA . . 4.630 2.881 1.987 3.536 . 0 0 "[ . 1 . 2]" 1
217 1 15 ALA MB 1 22 PHE H . . 3.780 3.128 2.274 3.753 . 0 0 "[ . 1 . 2]" 1
218 1 15 ALA MB 1 22 PHE HB2 . . 3.410 2.373 2.149 2.607 . 0 0 "[ . 1 . 2]" 1
219 1 15 ALA MB 1 22 PHE HB3 . . 4.120 3.897 3.596 4.111 . 0 0 "[ . 1 . 2]" 1
220 1 15 ALA MB 1 22 PHE QD . . 3.330 2.290 1.882 3.038 . 0 0 "[ . 1 . 2]" 1
221 1 15 ALA MB 1 22 PHE QE . . 4.360 3.939 3.351 4.358 . 0 0 "[ . 1 . 2]" 1
222 1 16 MET H 1 16 MET QB . . 3.430 2.849 2.544 3.339 . 0 0 "[ . 1 . 2]" 1
223 1 16 MET H 1 16 MET HG2 . . 4.370 3.618 2.510 4.304 . 0 0 "[ . 1 . 2]" 1
224 1 16 MET H 1 16 MET HG3 . . 4.370 3.607 2.350 4.370 . 0 0 "[ . 1 . 2]" 1
225 1 16 MET H 1 17 ARG QG . . 4.560 4.051 3.401 4.566 0.006 19 0 "[ . 1 . 2]" 1
226 1 16 MET H 1 47 ILE MD . . 3.510 3.287 2.882 3.509 . 0 0 "[ . 1 . 2]" 1
227 1 16 MET HA 1 17 ARG H . . 3.230 2.668 2.304 2.871 . 0 0 "[ . 1 . 2]" 1
228 1 16 MET QB 1 16 MET ME . . 2.790 2.085 1.762 2.436 . 0 0 "[ . 1 . 2]" 1
229 1 16 MET QB 1 17 ARG H . . 4.400 3.875 3.806 4.007 . 0 0 "[ . 1 . 2]" 1
230 1 16 MET QB 1 36 PHE QE . . 4.560 3.633 2.780 4.560 0.000 16 0 "[ . 1 . 2]" 1
231 1 16 MET QB 1 36 PHE HZ . . 4.560 2.848 2.001 4.256 . 0 0 "[ . 1 . 2]" 1
232 1 16 MET QB 1 47 ILE MD . . 4.180 2.960 1.992 4.107 . 0 0 "[ . 1 . 2]" 1
233 1 16 MET HB2 1 16 MET ME . . 3.460 2.961 1.911 3.452 . 0 0 "[ . 1 . 2]" 1
234 1 16 MET HB2 1 17 ARG H . . 5.230 4.288 4.139 4.506 . 0 0 "[ . 1 . 2]" 1
235 1 16 MET HB3 1 16 MET ME . . 3.460 2.243 1.984 2.681 . 0 0 "[ . 1 . 2]" 1
236 1 16 MET HB3 1 17 ARG H . . 5.230 4.430 4.104 4.652 . 0 0 "[ . 1 . 2]" 1
237 1 16 MET ME 1 16 MET HG2 . . 3.780 2.905 2.323 3.391 . 0 0 "[ . 1 . 2]" 1
238 1 16 MET ME 1 16 MET QG . . 3.020 2.391 2.213 2.735 . 0 0 "[ . 1 . 2]" 1
239 1 16 MET ME 1 16 MET HG3 . . 3.780 2.916 2.246 3.401 . 0 0 "[ . 1 . 2]" 1
240 1 16 MET ME 1 34 PHE QE . . 5.130 4.211 3.784 5.041 . 0 0 "[ . 1 . 2]" 1
241 1 16 MET ME 1 36 PHE QD . . 5.500 4.507 3.908 4.839 . 0 0 "[ . 1 . 2]" 1
242 1 16 MET ME 1 36 PHE QE . . 3.230 2.736 1.946 3.231 0.001 14 0 "[ . 1 . 2]" 1
243 1 16 MET ME 1 36 PHE HZ . . 4.660 2.508 1.980 3.809 . 0 0 "[ . 1 . 2]" 1
244 1 16 MET ME 1 39 ILE MD . . 3.880 3.595 3.102 3.873 . 0 0 "[ . 1 . 2]" 1
245 1 16 MET ME 1 44 GLN HA . . 4.950 4.823 4.561 4.952 0.002 17 0 "[ . 1 . 2]" 1
246 1 16 MET ME 1 45 LEU H . . 3.880 3.656 3.286 3.867 . 0 0 "[ . 1 . 2]" 1
247 1 16 MET ME 1 45 LEU HB2 . . 4.360 2.138 1.799 2.609 . 0 0 "[ . 1 . 2]" 1
248 1 16 MET ME 1 45 LEU QB . . 3.780 2.039 1.725 2.307 . 0 0 "[ . 1 . 2]" 1
249 1 16 MET ME 1 45 LEU HB3 . . 4.360 2.829 2.086 3.463 . 0 0 "[ . 1 . 2]" 1
250 1 16 MET ME 1 45 LEU QD . . 3.860 3.184 2.689 3.581 . 0 0 "[ . 1 . 2]" 1
251 1 16 MET ME 1 46 HIS HA . . 4.210 2.822 2.121 3.682 . 0 0 "[ . 1 . 2]" 1
252 1 16 MET ME 1 47 ILE H . . 4.670 4.368 3.689 4.668 . 0 0 "[ . 1 . 2]" 1
253 1 16 MET QG 1 17 ARG H . . 5.070 4.505 4.086 4.688 . 0 0 "[ . 1 . 2]" 1
254 1 16 MET QG 1 47 ILE H . . 4.270 3.791 2.937 4.270 . 0 0 "[ . 1 . 2]" 1
255 1 16 MET QG 1 47 ILE MD . . 3.550 2.425 1.809 3.010 . 0 0 "[ . 1 . 2]" 1
256 1 16 MET HG2 1 47 ILE MD . . 4.110 3.194 2.030 4.111 0.001 14 0 "[ . 1 . 2]" 1
257 1 16 MET HG3 1 47 ILE MD . . 4.110 2.639 1.937 3.557 . 0 0 "[ . 1 . 2]" 1
258 1 17 ARG H 1 17 ARG HB2 . . 4.000 2.465 2.192 2.666 . 0 0 "[ . 1 . 2]" 1
259 1 17 ARG H 1 17 ARG QB . . 3.460 2.421 2.170 2.598 . 0 0 "[ . 1 . 2]" 1
260 1 17 ARG H 1 17 ARG HB3 . . 4.000 3.578 3.495 3.615 . 0 0 "[ . 1 . 2]" 1
261 1 17 ARG H 1 17 ARG HG2 . . 4.600 2.852 1.900 4.211 . 0 0 "[ . 1 . 2]" 1
262 1 17 ARG H 1 17 ARG QG . . 3.860 2.626 1.891 3.629 . 0 0 "[ . 1 . 2]" 1
263 1 17 ARG H 1 17 ARG HG3 . . 4.600 3.648 3.388 4.042 . 0 0 "[ . 1 . 2]" 1
264 1 17 ARG H 1 17 ARG QH2 . . 4.070 3.993 3.813 4.073 0.003 19 0 "[ . 1 . 2]" 1
265 1 17 ARG H 1 18 ASP H . . 4.660 4.552 3.429 4.648 . 0 0 "[ . 1 . 2]" 1
266 1 17 ARG H 1 20 PHE H . . 4.630 4.434 3.950 4.632 0.002 16 0 "[ . 1 . 2]" 1
267 1 17 ARG H 1 21 GLY QA . . 3.640 2.780 2.515 3.480 . 0 0 "[ . 1 . 2]" 1
268 1 17 ARG HA 1 17 ARG HD2 . . 4.150 3.735 3.488 4.141 . 0 0 "[ . 1 . 2]" 1
269 1 17 ARG HA 1 17 ARG HD3 . . 4.150 3.131 2.011 4.151 0.001 17 0 "[ . 1 . 2]" 1
270 1 17 ARG QB 1 18 ASP H . . 3.410 2.445 1.852 2.749 . 0 0 "[ . 1 . 2]" 1
271 1 17 ARG QB 1 20 PHE H . . 4.550 3.149 2.317 3.859 . 0 0 "[ . 1 . 2]" 1
272 1 17 ARG QB 1 20 PHE QE . . 4.730 3.078 2.212 3.823 . 0 0 "[ . 1 . 2]" 1
273 1 17 ARG HB2 1 18 ASP H . . 4.000 3.626 1.902 4.000 . 0 0 "[ . 1 . 2]" 1
274 1 17 ARG HB3 1 18 ASP H . . 4.000 2.517 1.903 2.805 . 0 0 "[ . 1 . 2]" 1
275 1 17 ARG QD 1 20 PHE QE . . 4.560 4.323 3.881 4.560 . 0 0 "[ . 1 . 2]" 1
276 1 17 ARG QG 1 18 ASP H . . 4.560 3.914 3.306 4.481 . 0 0 "[ . 1 . 2]" 1
277 1 17 ARG QG 1 20 PHE QE . . 4.560 3.426 2.313 4.506 . 0 0 "[ . 1 . 2]" 1
278 1 18 ASP H 1 18 ASP HB2 . . 4.000 2.551 2.083 3.876 . 0 0 "[ . 1 . 2]" 1
279 1 18 ASP H 1 18 ASP HB3 . . 4.000 3.190 2.194 3.655 . 0 0 "[ . 1 . 2]" 1
280 1 18 ASP H 1 19 GLY H . . 4.660 4.053 2.540 4.358 . 0 0 "[ . 1 . 2]" 1
281 1 18 ASP H 1 20 PHE H . . 5.230 4.453 2.833 5.028 . 0 0 "[ . 1 . 2]" 1
282 1 18 ASP HA 1 19 GLY H . . 3.370 2.286 2.163 2.760 . 0 0 "[ . 1 . 2]" 1
283 1 18 ASP QB 1 19 GLY H . . 4.360 3.831 3.561 4.006 . 0 0 "[ . 1 . 2]" 1
284 1 18 ASP HB2 1 19 GLY H . . 5.230 4.477 4.020 4.672 . 0 0 "[ . 1 . 2]" 1
285 1 18 ASP HB3 1 19 GLY H . . 5.230 4.219 3.763 4.660 . 0 0 "[ . 1 . 2]" 1
286 1 19 GLY H 1 20 PHE H . . 3.420 2.612 2.280 3.022 . 0 0 "[ . 1 . 2]" 1
287 1 19 GLY QA 1 36 PHE H . . 5.100 4.492 3.549 5.089 . 0 0 "[ . 1 . 2]" 1
288 1 19 GLY QA 1 36 PHE QD . . 4.270 3.636 2.769 4.271 0.001 9 0 "[ . 1 . 2]" 1
289 1 20 PHE H 1 20 PHE QD . . 4.000 2.653 1.949 3.279 . 0 0 "[ . 1 . 2]" 1
290 1 20 PHE HA 1 21 GLY H . . 3.330 2.593 2.399 2.766 . 0 0 "[ . 1 . 2]" 1
291 1 20 PHE HA 1 35 HIS HA . . 4.000 3.168 2.502 3.599 . 0 0 "[ . 1 . 2]" 1
292 1 20 PHE HA 1 36 PHE H . . 3.930 3.710 3.259 3.933 0.003 16 0 "[ . 1 . 2]" 1
293 1 20 PHE HA 1 36 PHE QD . . 4.690 2.632 2.058 3.864 . 0 0 "[ . 1 . 2]" 1
294 1 20 PHE QB 1 21 GLY H . . 3.330 2.213 1.893 2.630 . 0 0 "[ . 1 . 2]" 1
295 1 20 PHE QB 1 34 PHE H . . 4.560 4.045 3.561 4.429 . 0 0 "[ . 1 . 2]" 1
296 1 20 PHE HB2 1 21 GLY H . . 4.000 2.231 1.902 2.667 . 0 0 "[ . 1 . 2]" 1
297 1 20 PHE HB2 1 35 HIS HA . . 4.660 3.813 3.488 4.243 . 0 0 "[ . 1 . 2]" 1
298 1 20 PHE HB3 1 21 GLY H . . 4.000 3.692 3.471 3.989 . 0 0 "[ . 1 . 2]" 1
299 1 20 PHE HB3 1 35 HIS HA . . 4.660 4.035 3.013 4.646 . 0 0 "[ . 1 . 2]" 1
300 1 20 PHE QD 1 21 GLY H . . 4.000 2.634 2.107 3.692 . 0 0 "[ . 1 . 2]" 1
301 1 20 PHE QD 1 21 GLY QA . . 4.650 3.318 2.742 4.196 . 0 0 "[ . 1 . 2]" 1
302 1 20 PHE QD 1 33 PHE QD . . 4.270 3.128 2.115 4.226 . 0 0 "[ . 1 . 2]" 1
303 1 20 PHE QD 1 34 PHE H . . 4.660 4.439 3.857 4.660 . 0 0 "[ . 1 . 2]" 1
304 1 21 GLY H 1 22 PHE H . . 4.660 4.223 3.933 4.421 . 0 0 "[ . 1 . 2]" 1
305 1 21 GLY H 1 33 PHE HA . . 5.310 4.291 3.835 4.793 . 0 0 "[ . 1 . 2]" 1
306 1 21 GLY H 1 33 PHE QD . . 4.710 4.135 3.440 4.711 0.001 14 0 "[ . 1 . 2]" 1
307 1 21 GLY H 1 34 PHE QD . . 5.390 4.042 3.633 4.396 . 0 0 "[ . 1 . 2]" 1
308 1 21 GLY H 1 34 PHE QE . . 4.360 3.962 3.412 4.358 . 0 0 "[ . 1 . 2]" 1
309 1 21 GLY H 1 35 HIS HA . . 5.500 4.501 3.930 4.922 . 0 0 "[ . 1 . 2]" 1
310 1 21 GLY QA 1 34 PHE QE . . 4.100 2.642 2.142 3.238 . 0 0 "[ . 1 . 2]" 1
311 1 21 GLY QA 1 34 PHE HZ . . 4.070 2.892 2.440 4.029 . 0 0 "[ . 1 . 2]" 1
312 1 22 PHE H 1 22 PHE HB2 . . 3.880 2.799 2.456 2.918 . 0 0 "[ . 1 . 2]" 1
313 1 22 PHE H 1 22 PHE HB3 . . 4.150 3.827 3.635 3.894 . 0 0 "[ . 1 . 2]" 1
314 1 22 PHE H 1 34 PHE H . . 5.500 5.026 4.492 5.382 . 0 0 "[ . 1 . 2]" 1
315 1 22 PHE H 1 34 PHE QE . . 3.780 2.231 1.952 2.594 . 0 0 "[ . 1 . 2]" 1
316 1 22 PHE H 1 34 PHE HZ . . 4.150 3.867 3.604 4.151 0.001 14 0 "[ . 1 . 2]" 1
317 1 22 PHE HA 1 22 PHE QD . . 4.150 2.167 2.001 2.841 . 0 0 "[ . 1 . 2]" 1
318 1 22 PHE HA 1 23 ILE H . . 3.080 2.304 2.203 2.465 . 0 0 "[ . 1 . 2]" 1
319 1 22 PHE HA 1 32 MET H . . 4.660 3.823 3.450 4.069 . 0 0 "[ . 1 . 2]" 1
320 1 22 PHE HA 1 33 PHE HA . . 4.360 2.940 2.111 3.560 . 0 0 "[ . 1 . 2]" 1
321 1 22 PHE HA 1 34 PHE H . . 4.360 3.692 3.362 4.006 . 0 0 "[ . 1 . 2]" 1
322 1 22 PHE HA 1 34 PHE QD . . 4.360 3.131 2.941 3.373 . 0 0 "[ . 1 . 2]" 1
323 1 22 PHE HB2 1 23 ILE H . . 4.360 3.972 3.656 4.146 . 0 0 "[ . 1 . 2]" 1
324 1 22 PHE HB2 1 31 ARG QB . . 4.550 3.734 3.429 4.409 . 0 0 "[ . 1 . 2]" 1
325 1 22 PHE HB3 1 23 ILE H . . 4.000 2.724 2.296 3.030 . 0 0 "[ . 1 . 2]" 1
326 1 22 PHE HB3 1 31 ARG HB2 . . 4.610 3.005 2.002 4.420 . 0 0 "[ . 1 . 2]" 1
327 1 22 PHE HB3 1 31 ARG QB . . 3.820 2.165 1.977 2.840 . 0 0 "[ . 1 . 2]" 1
328 1 22 PHE HB3 1 31 ARG HB3 . . 4.610 2.575 1.999 3.368 . 0 0 "[ . 1 . 2]" 1
329 1 22 PHE HB3 1 31 ARG QG . . 4.670 3.076 2.047 3.943 . 0 0 "[ . 1 . 2]" 1
330 1 22 PHE HB3 1 32 MET H . . 4.360 4.048 3.806 4.194 . 0 0 "[ . 1 . 2]" 1
331 1 22 PHE QD 1 23 ILE H . . 4.660 3.227 2.913 3.787 . 0 0 "[ . 1 . 2]" 1
332 1 22 PHE QD 1 31 ARG QB . . 4.270 2.488 2.093 3.703 . 0 0 "[ . 1 . 2]" 1
333 1 22 PHE QD 1 33 PHE HA . . 4.660 2.781 2.363 3.800 . 0 0 "[ . 1 . 2]" 1
334 1 22 PHE QD 1 33 PHE QB . . 4.560 3.545 2.365 4.553 . 0 0 "[ . 1 . 2]" 1
335 1 22 PHE QD 1 34 PHE H . . 4.660 4.427 3.967 4.660 0.000 14 0 "[ . 1 . 2]" 1
336 1 22 PHE QE 1 33 PHE QB . . 4.340 2.655 1.956 4.038 . 0 0 "[ . 1 . 2]" 1
337 1 23 ILE H 1 23 ILE HB . . 3.410 2.880 2.736 3.102 . 0 0 "[ . 1 . 2]" 1
338 1 23 ILE H 1 23 ILE MD . . 4.360 3.802 3.175 4.125 . 0 0 "[ . 1 . 2]" 1
339 1 23 ILE H 1 23 ILE HG12 . . 4.660 4.053 3.766 4.351 . 0 0 "[ . 1 . 2]" 1
340 1 23 ILE H 1 23 ILE HG13 . . 3.880 2.761 2.617 3.025 . 0 0 "[ . 1 . 2]" 1
341 1 23 ILE H 1 31 ARG HB2 . . 4.750 3.590 2.307 4.511 . 0 0 "[ . 1 . 2]" 1
342 1 23 ILE H 1 31 ARG HB3 . . 4.750 3.226 2.184 4.668 . 0 0 "[ . 1 . 2]" 1
343 1 23 ILE H 1 32 MET H . . 3.780 2.005 1.803 2.163 . 0 0 "[ . 1 . 2]" 1
344 1 23 ILE H 1 32 MET QB . . 4.790 3.473 3.181 3.803 . 0 0 "[ . 1 . 2]" 1
345 1 23 ILE H 1 34 PHE QD . . 4.360 3.901 3.401 4.308 . 0 0 "[ . 1 . 2]" 1
346 1 23 ILE HA 1 23 ILE MD . . 4.360 3.925 3.872 3.967 . 0 0 "[ . 1 . 2]" 1
347 1 23 ILE HA 1 23 ILE MG . . 3.700 2.250 2.075 2.464 . 0 0 "[ . 1 . 2]" 1
348 1 23 ILE HA 1 24 LYS H . . 3.100 2.170 2.138 2.265 . 0 0 "[ . 1 . 2]" 1
349 1 23 ILE HB 1 23 ILE MD . . 3.460 2.279 2.107 2.439 . 0 0 "[ . 1 . 2]" 1
350 1 23 ILE HB 1 32 MET H . . 4.360 2.929 2.706 3.157 . 0 0 "[ . 1 . 2]" 1
351 1 23 ILE HB 1 32 MET HB2 . . 4.000 3.664 3.190 3.999 . 0 0 "[ . 1 . 2]" 1
352 1 23 ILE HB 1 32 MET QB . . 3.460 2.155 1.995 2.419 . 0 0 "[ . 1 . 2]" 1
353 1 23 ILE HB 1 32 MET HB3 . . 4.000 2.171 2.009 2.442 . 0 0 "[ . 1 . 2]" 1
354 1 23 ILE MD 1 23 ILE MG . . 3.170 2.279 1.988 2.588 . 0 0 "[ . 1 . 2]" 1
355 1 23 ILE MD 1 32 MET QB . . 4.270 2.694 2.144 3.054 . 0 0 "[ . 1 . 2]" 1
356 1 23 ILE MD 1 32 MET ME . . 5.240 4.802 4.508 5.149 . 0 0 "[ . 1 . 2]" 1
357 1 23 ILE MD 1 32 MET QG . . 4.270 2.758 2.273 3.240 . 0 0 "[ . 1 . 2]" 1
358 1 23 ILE MD 1 34 PHE QB . . 3.850 2.259 1.948 2.733 . 0 0 "[ . 1 . 2]" 1
359 1 23 ILE MD 1 34 PHE QD . . 3.700 2.307 1.960 2.757 . 0 0 "[ . 1 . 2]" 1
360 1 23 ILE MD 1 34 PHE QE . . 4.150 3.409 3.051 3.750 . 0 0 "[ . 1 . 2]" 1
361 1 23 ILE MD 1 51 VAL MG2 . . 3.410 2.531 2.071 3.003 . 0 0 "[ . 1 . 2]" 1
362 1 23 ILE MD 1 53 PHE QD . . 4.150 3.127 2.742 3.502 . 0 0 "[ . 1 . 2]" 1
363 1 23 ILE MD 1 67 ALA MB . . 3.230 2.911 2.546 3.176 . 0 0 "[ . 1 . 2]" 1
364 1 23 ILE MD 1 70 ILE MD . . 3.560 2.887 2.441 3.309 . 0 0 "[ . 1 . 2]" 1
365 1 23 ILE HG12 1 23 ILE MG . . 3.630 2.178 1.980 2.322 . 0 0 "[ . 1 . 2]" 1
366 1 23 ILE HG12 1 34 PHE QD . . 4.360 3.488 3.100 3.868 . 0 0 "[ . 1 . 2]" 1
367 1 23 ILE HG13 1 32 MET H . . 4.410 4.079 3.377 4.410 . 0 0 "[ . 1 . 2]" 1
368 1 23 ILE HG13 1 34 PHE QD . . 3.700 2.236 1.998 2.576 . 0 0 "[ . 1 . 2]" 1
369 1 23 ILE HG13 1 34 PHE QE . . 4.360 2.763 2.360 3.193 . 0 0 "[ . 1 . 2]" 1
370 1 23 ILE MG 1 24 LYS H . . 3.510 2.992 2.580 3.452 . 0 0 "[ . 1 . 2]" 1
371 1 23 ILE MG 1 24 LYS QB . . 4.830 4.284 4.045 4.518 . 0 0 "[ . 1 . 2]" 1
372 1 23 ILE MG 1 32 MET H . . 4.360 4.229 3.999 4.361 0.001 16 0 "[ . 1 . 2]" 1
373 1 23 ILE MG 1 32 MET QB . . 4.530 3.476 3.152 3.683 . 0 0 "[ . 1 . 2]" 1
374 1 23 ILE MG 1 53 PHE QD . . 4.410 3.981 3.661 4.410 0.000 16 0 "[ . 1 . 2]" 1
375 1 23 ILE MG 1 53 PHE QE . . 3.630 2.134 1.899 2.613 . 0 0 "[ . 1 . 2]" 1
376 1 23 ILE MG 1 53 PHE HZ . . 4.150 2.517 2.091 3.275 . 0 0 "[ . 1 . 2]" 1
377 1 24 LYS H 1 24 LYS HB2 . . 3.700 2.690 2.456 2.873 . 0 0 "[ . 1 . 2]" 1
378 1 24 LYS H 1 24 LYS QB . . 3.180 2.258 2.228 2.303 . 0 0 "[ . 1 . 2]" 1
379 1 24 LYS H 1 24 LYS HB3 . . 3.700 2.444 2.327 2.594 . 0 0 "[ . 1 . 2]" 1
380 1 24 LYS QB 1 24 LYS QD . . 3.180 2.068 1.966 2.226 . 0 0 "[ . 1 . 2]" 1
381 1 24 LYS HE2 1 80 PHE HZ . . 5.500 3.892 2.758 5.279 . 0 0 "[ . 1 . 2]" 1
382 1 24 LYS HE3 1 80 PHE HZ . . 5.500 4.094 2.303 5.499 . 0 0 "[ . 1 . 2]" 1
383 1 24 LYS QG 1 25 CYS H . . 4.270 2.961 2.412 3.619 . 0 0 "[ . 1 . 2]" 1
384 1 24 LYS QG 1 80 PHE QE . . 4.270 3.859 2.670 4.271 0.001 10 0 "[ . 1 . 2]" 1
385 1 25 CYS H 1 25 CYS HB2 . . 4.000 2.203 2.087 2.565 . 0 0 "[ . 1 . 2]" 1
386 1 25 CYS H 1 25 CYS QB . . 3.300 2.154 2.066 2.341 . 0 0 "[ . 1 . 2]" 1
387 1 25 CYS H 1 25 CYS HB3 . . 4.000 3.166 2.702 3.588 . 0 0 "[ . 1 . 2]" 1
388 1 25 CYS H 1 28 ARG H . . 4.950 4.855 4.734 4.950 . 0 0 "[ . 1 . 2]" 1
389 1 25 CYS H 1 28 ARG QB . . 5.250 4.052 3.670 4.498 . 0 0 "[ . 1 . 2]" 1
390 1 25 CYS H 1 30 VAL H . . 5.230 3.842 2.464 4.972 . 0 0 "[ . 1 . 2]" 1
391 1 25 CYS HA 1 26 VAL H . . 3.410 2.284 2.142 2.504 . 0 0 "[ . 1 . 2]" 1
392 1 25 CYS QB 1 26 VAL H . . 3.930 3.112 2.392 3.616 . 0 0 "[ . 1 . 2]" 1
393 1 25 CYS QB 1 27 ASP H . . 4.560 2.979 2.357 3.677 . 0 0 "[ . 1 . 2]" 1
394 1 25 CYS QB 1 28 ARG H . . 3.290 2.017 1.894 2.286 . 0 0 "[ . 1 . 2]" 1
395 1 25 CYS QB 1 28 ARG QB . . 3.390 2.100 1.836 2.517 . 0 0 "[ . 1 . 2]" 1
396 1 25 CYS QB 1 30 VAL H . . 4.510 3.529 2.790 4.211 . 0 0 "[ . 1 . 2]" 1
397 1 25 CYS HB2 1 28 ARG H . . 3.880 3.434 2.695 3.876 . 0 0 "[ . 1 . 2]" 1
398 1 25 CYS HB2 1 28 ARG HB2 . . 4.660 2.714 2.186 3.444 . 0 0 "[ . 1 . 2]" 1
399 1 25 CYS HB2 1 28 ARG HB3 . . 4.660 3.507 2.513 4.619 . 0 0 "[ . 1 . 2]" 1
400 1 25 CYS HB3 1 28 ARG H . . 3.880 2.035 1.901 2.303 . 0 0 "[ . 1 . 2]" 1
401 1 25 CYS HB3 1 28 ARG HB2 . . 4.660 2.334 2.003 2.898 . 0 0 "[ . 1 . 2]" 1
402 1 25 CYS HB3 1 28 ARG HB3 . . 4.660 3.516 2.618 4.599 . 0 0 "[ . 1 . 2]" 1
403 1 26 VAL H 1 26 VAL HB . . 3.780 3.081 2.454 3.666 . 0 0 "[ . 1 . 2]" 1
404 1 26 VAL H 1 26 VAL MG1 . . 3.780 3.032 2.055 3.788 0.008 14 0 "[ . 1 . 2]" 1
405 1 26 VAL H 1 26 VAL QG . . 3.120 2.042 1.823 2.502 . 0 0 "[ . 1 . 2]" 1
406 1 26 VAL H 1 26 VAL MG2 . . 3.780 2.183 1.881 3.762 . 0 0 "[ . 1 . 2]" 1
407 1 26 VAL H 1 27 ASP H . . 4.360 2.496 2.266 2.708 . 0 0 "[ . 1 . 2]" 1
408 1 26 VAL H 1 28 ARG H . . 4.660 3.943 3.504 4.261 . 0 0 "[ . 1 . 2]" 1
409 1 26 VAL HA 1 26 VAL MG1 . . 3.410 2.373 2.114 3.200 . 0 0 "[ . 1 . 2]" 1
410 1 26 VAL HA 1 26 VAL MG2 . . 3.410 2.789 2.277 3.204 . 0 0 "[ . 1 . 2]" 1
411 1 26 VAL HA 1 80 PHE QD . . 3.880 3.449 2.618 3.878 . 0 0 "[ . 1 . 2]" 1
412 1 26 VAL HA 1 80 PHE QE . . 4.000 2.860 1.999 3.863 . 0 0 "[ . 1 . 2]" 1
413 1 26 VAL HB 1 27 ASP H . . 4.360 3.321 2.333 4.149 . 0 0 "[ . 1 . 2]" 1
414 1 26 VAL QG 1 27 ASP H . . 4.130 2.625 1.893 3.453 . 0 0 "[ . 1 . 2]" 1
415 1 26 VAL QG 1 80 PHE H . . 5.440 4.355 3.413 5.209 . 0 0 "[ . 1 . 2]" 1
416 1 26 VAL QG 1 80 PHE QD . . 4.330 2.615 1.954 3.559 . 0 0 "[ . 1 . 2]" 1
417 1 26 VAL QG 1 80 PHE QE . . 3.980 2.594 1.835 3.428 . 0 0 "[ . 1 . 2]" 1
418 1 26 VAL QG 1 80 PHE HZ . . 4.620 3.271 2.286 4.434 . 0 0 "[ . 1 . 2]" 1
419 1 27 ASP H 1 28 ARG H . . 3.460 2.308 2.051 2.537 . 0 0 "[ . 1 . 2]" 1
420 1 27 ASP HB2 1 28 ARG H . . 4.660 3.479 2.655 4.124 . 0 0 "[ . 1 . 2]" 1
421 1 27 ASP HB3 1 28 ARG H . . 4.660 2.813 2.472 3.403 . 0 0 "[ . 1 . 2]" 1
422 1 28 ARG H 1 28 ARG QB . . 3.580 2.220 2.083 2.447 . 0 0 "[ . 1 . 2]" 1
423 1 28 ARG H 1 28 ARG HG2 . . 4.410 3.729 2.875 4.410 . 12 0 "[ . 1 . 2]" 1
424 1 28 ARG H 1 28 ARG QG . . 3.720 3.190 2.722 3.537 . 0 0 "[ . 1 . 2]" 1
425 1 28 ARG H 1 28 ARG HG3 . . 4.410 3.665 2.769 4.296 . 0 0 "[ . 1 . 2]" 1
426 1 28 ARG QB 1 30 VAL H . . 3.630 2.470 2.097 2.757 . 0 0 "[ . 1 . 2]" 1
427 1 28 ARG QB 1 30 VAL QG . . 4.240 2.170 1.940 2.457 . 0 0 "[ . 1 . 2]" 1
428 1 28 ARG HB2 1 30 VAL H . . 4.150 3.708 3.134 4.045 . 0 0 "[ . 1 . 2]" 1
429 1 28 ARG HB3 1 30 VAL H . . 4.150 2.524 2.107 3.011 . 0 0 "[ . 1 . 2]" 1
430 1 28 ARG QD 1 30 VAL H . . 4.900 4.032 3.219 4.714 . 0 0 "[ . 1 . 2]" 1
431 1 28 ARG QD 1 30 VAL QG . . 3.710 2.378 1.764 3.551 . 0 0 "[ . 1 . 2]" 1
432 1 28 ARG QG 1 30 VAL H . . 4.830 4.452 3.571 4.794 . 0 0 "[ . 1 . 2]" 1
433 1 28 ARG QG 1 30 VAL QG . . 3.860 3.219 2.570 3.630 . 0 0 "[ . 1 . 2]" 1
434 1 29 ASP H 1 30 VAL H . . 3.560 2.811 2.008 3.239 . 0 0 "[ . 1 . 2]" 1
435 1 29 ASP QB 1 30 VAL H . . 3.880 3.787 3.274 3.892 0.012 18 0 "[ . 1 . 2]" 1
436 1 29 ASP HB2 1 30 VAL H . . 4.660 4.222 3.399 4.489 . 0 0 "[ . 1 . 2]" 1
437 1 29 ASP HB3 1 30 VAL H . . 4.660 4.312 4.022 4.500 . 0 0 "[ . 1 . 2]" 1
438 1 30 VAL H 1 30 VAL HB . . 3.950 3.813 3.560 3.927 . 0 0 "[ . 1 . 2]" 1
439 1 30 VAL H 1 30 VAL MG1 . . 3.510 2.989 2.441 3.465 . 0 0 "[ . 1 . 2]" 1
440 1 30 VAL H 1 30 VAL QG . . 3.040 2.141 1.864 2.342 . 0 0 "[ . 1 . 2]" 1
441 1 30 VAL H 1 30 VAL MG2 . . 3.510 2.213 1.892 2.462 . 0 0 "[ . 1 . 2]" 1
442 1 30 VAL H 1 31 ARG H . . 4.660 4.390 4.178 4.563 . 0 0 "[ . 1 . 2]" 1
443 1 30 VAL HA 1 31 ARG H . . 2.840 2.285 2.143 2.549 . 0 0 "[ . 1 . 2]" 1
444 1 30 VAL HB 1 31 ARG H . . 3.630 2.791 2.152 3.402 . 0 0 "[ . 1 . 2]" 1
445 1 30 VAL QG 1 31 ARG H . . 3.560 3.252 2.837 3.557 . 0 0 "[ . 1 . 2]" 1
446 1 30 VAL MG1 1 31 ARG H . . 4.360 3.735 3.104 4.075 . 0 0 "[ . 1 . 2]" 1
447 1 30 VAL MG2 1 31 ARG H . . 4.360 3.672 2.944 4.257 . 0 0 "[ . 1 . 2]" 1
448 1 31 ARG H 1 31 ARG QB . . 3.270 2.589 2.400 2.864 . 0 0 "[ . 1 . 2]" 1
449 1 31 ARG H 1 31 ARG QD . . 4.560 3.316 2.105 4.166 . 0 0 "[ . 1 . 2]" 1
450 1 31 ARG H 1 31 ARG HG2 . . 3.820 2.923 1.906 3.803 . 0 0 "[ . 1 . 2]" 1
451 1 31 ARG H 1 31 ARG HG3 . . 3.820 2.868 2.033 3.817 . 0 0 "[ . 1 . 2]" 1
452 1 31 ARG H 1 32 MET H . . 4.660 4.571 4.461 4.637 . 0 0 "[ . 1 . 2]" 1
453 1 31 ARG HA 1 32 MET H . . 3.260 2.320 2.147 2.700 . 0 0 "[ . 1 . 2]" 1
454 1 32 MET H 1 32 MET HB2 . . 3.510 3.066 2.823 3.336 . 0 0 "[ . 1 . 2]" 1
455 1 32 MET H 1 32 MET HB3 . . 3.510 2.537 2.369 2.701 . 0 0 "[ . 1 . 2]" 1
456 1 32 MET H 1 32 MET ME . . 5.500 5.263 4.650 5.490 . 0 0 "[ . 1 . 2]" 1
457 1 32 MET H 1 32 MET QG . . 4.560 3.999 3.865 4.089 . 0 0 "[ . 1 . 2]" 1
458 1 32 MET HA 1 32 MET ME . . 3.880 3.534 3.087 3.880 . 0 0 "[ . 1 . 2]" 1
459 1 32 MET HA 1 33 PHE H . . 3.100 2.241 2.141 2.403 . 0 0 "[ . 1 . 2]" 1
460 1 32 MET QB 1 32 MET ME . . 3.370 2.784 2.208 3.364 . 0 0 "[ . 1 . 2]" 1
461 1 32 MET QB 1 53 PHE QE . . 4.550 3.604 2.940 4.392 . 0 0 "[ . 1 . 2]" 1
462 1 32 MET QB 1 53 PHE HZ . . 4.550 3.514 2.746 4.293 . 0 0 "[ . 1 . 2]" 1
463 1 32 MET QB 1 55 VAL QG . . 5.280 3.999 3.475 4.324 . 0 0 "[ . 1 . 2]" 1
464 1 32 MET QB 1 67 ALA MB . . 4.320 3.971 3.525 4.321 0.001 9 0 "[ . 1 . 2]" 1
465 1 32 MET ME 1 32 MET HG2 . . 3.700 2.639 2.079 3.276 . 0 0 "[ . 1 . 2]" 1
466 1 32 MET ME 1 32 MET QG . . 3.100 2.132 1.970 2.297 . 0 0 "[ . 1 . 2]" 1
467 1 32 MET ME 1 32 MET HG3 . . 3.700 2.764 1.994 3.380 . 0 0 "[ . 1 . 2]" 1
468 1 32 MET ME 1 53 PHE QE . . 4.580 3.593 2.305 4.581 0.001 20 0 "[ . 1 . 2]" 1
469 1 32 MET ME 1 55 VAL H . . 5.500 5.306 4.986 5.499 . 0 0 "[ . 1 . 2]" 1
470 1 32 MET ME 1 55 VAL MG1 . . 3.080 2.076 1.768 2.847 . 0 0 "[ . 1 . 2]" 1
471 1 32 MET ME 1 55 VAL MG2 . . 3.080 2.119 1.771 2.403 . 0 0 "[ . 1 . 2]" 1
472 1 32 MET ME 1 56 VAL H . . 5.170 4.531 3.871 5.170 . 0 0 "[ . 1 . 2]" 1
473 1 32 MET ME 1 65 ASN H . . 5.140 4.455 3.721 5.134 . 0 0 "[ . 1 . 2]" 1
474 1 32 MET ME 1 65 ASN HA . . 4.560 4.223 3.645 4.555 . 0 0 "[ . 1 . 2]" 1
475 1 32 MET ME 1 65 ASN HB2 . . 4.050 2.286 1.914 2.806 . 0 0 "[ . 1 . 2]" 1
476 1 32 MET ME 1 65 ASN QB . . 3.310 2.205 1.729 2.757 . 0 0 "[ . 1 . 2]" 1
477 1 32 MET ME 1 65 ASN HB3 . . 4.050 3.224 1.958 4.049 . 0 0 "[ . 1 . 2]" 1
478 1 32 MET ME 1 65 ASN HD21 . . 4.660 2.978 1.921 4.039 . 0 0 "[ . 1 . 2]" 1
479 1 32 MET ME 1 65 ASN QD . . 4.000 2.842 1.868 3.647 . 0 0 "[ . 1 . 2]" 1
480 1 32 MET ME 1 65 ASN HD22 . . 4.660 3.917 2.549 4.642 . 0 0 "[ . 1 . 2]" 1
481 1 32 MET ME 1 67 ALA HA . . 5.060 4.144 3.278 5.032 . 0 0 "[ . 1 . 2]" 1
482 1 32 MET QG 1 33 PHE H . . 4.560 3.539 2.757 3.922 . 0 0 "[ . 1 . 2]" 1
483 1 32 MET QG 1 55 VAL QG . . 3.850 3.374 2.638 3.848 . 0 0 "[ . 1 . 2]" 1
484 1 32 MET QG 1 67 ALA H . . 4.270 3.574 2.901 3.987 . 0 0 "[ . 1 . 2]" 1
485 1 32 MET HG2 1 67 ALA MB . . 3.880 2.656 2.210 3.149 . 0 0 "[ . 1 . 2]" 1
486 1 32 MET HG3 1 67 ALA MB . . 3.880 3.194 2.460 3.832 . 0 0 "[ . 1 . 2]" 1
487 1 33 PHE H 1 33 PHE HB2 . . 3.560 2.759 2.083 3.561 0.001 9 0 "[ . 1 . 2]" 1
488 1 33 PHE H 1 33 PHE HB3 . . 3.560 2.555 2.166 3.365 . 0 0 "[ . 1 . 2]" 1
489 1 33 PHE H 1 33 PHE QD . . 4.660 3.616 2.287 4.224 . 0 0 "[ . 1 . 2]" 1
490 1 33 PHE H 1 34 PHE H . . 4.660 4.478 4.287 4.632 . 0 0 "[ . 1 . 2]" 1
491 1 33 PHE HA 1 34 PHE H . . 3.150 2.164 2.139 2.269 . 0 0 "[ . 1 . 2]" 1
492 1 33 PHE HB2 1 34 PHE H . . 4.660 4.059 3.095 4.594 . 0 0 "[ . 1 . 2]" 1
493 1 33 PHE HB3 1 34 PHE H . . 4.660 4.245 3.601 4.578 . 0 0 "[ . 1 . 2]" 1
494 1 33 PHE QD 1 34 PHE H . . 4.880 3.479 2.600 4.107 . 0 0 "[ . 1 . 2]" 1
495 1 34 PHE H 1 34 PHE QD . . 3.710 2.427 1.905 3.017 . 0 0 "[ . 1 . 2]" 1
496 1 34 PHE H 1 35 HIS H . . 4.660 4.464 4.359 4.551 . 0 0 "[ . 1 . 2]" 1
497 1 34 PHE HA 1 35 HIS H . . 3.330 2.380 2.248 2.480 . 0 0 "[ . 1 . 2]" 1
498 1 34 PHE HA 1 67 ALA H . . 4.150 3.712 3.432 4.105 . 0 0 "[ . 1 . 2]" 1
499 1 34 PHE HA 1 67 ALA MB . . 4.810 3.735 3.390 4.497 . 0 0 "[ . 1 . 2]" 1
500 1 34 PHE QB 1 35 HIS H . . 3.720 2.512 2.244 2.839 . 0 0 "[ . 1 . 2]" 1
501 1 34 PHE QB 1 67 ALA H . . 4.590 3.811 2.973 4.220 . 0 0 "[ . 1 . 2]" 1
502 1 34 PHE QB 1 67 ALA MB . . 3.160 2.612 2.382 2.876 . 0 0 "[ . 1 . 2]" 1
503 1 34 PHE QB 1 70 ILE MD . . 3.200 2.170 1.889 2.913 . 0 0 "[ . 1 . 2]" 1
504 1 34 PHE HB2 1 67 ALA H . . 5.340 4.362 3.392 4.830 . 0 0 "[ . 1 . 2]" 1
505 1 34 PHE HB2 1 67 ALA MB . . 3.690 3.030 2.711 3.657 . 0 0 "[ . 1 . 2]" 1
506 1 34 PHE HB3 1 67 ALA H . . 5.340 4.213 3.287 4.761 . 0 0 "[ . 1 . 2]" 1
507 1 34 PHE HB3 1 67 ALA MB . . 3.690 2.867 2.599 3.049 . 0 0 "[ . 1 . 2]" 1
508 1 34 PHE QD 1 35 HIS H . . 4.660 3.204 2.899 3.601 . 0 0 "[ . 1 . 2]" 1
509 1 34 PHE QD 1 39 ILE MD . . 4.360 3.377 2.808 4.232 . 0 0 "[ . 1 . 2]" 1
510 1 34 PHE QD 1 67 ALA MB . . 4.360 4.254 3.781 4.362 0.002 18 0 "[ . 1 . 2]" 1
511 1 34 PHE QD 1 70 ILE MD . . 3.510 2.359 1.910 2.731 . 0 0 "[ . 1 . 2]" 1
512 1 34 PHE QE 1 39 ILE MD . . 3.550 2.219 2.002 2.704 . 0 0 "[ . 1 . 2]" 1
513 1 34 PHE QE 1 39 ILE HG13 . . 4.660 3.889 3.237 4.143 . 0 0 "[ . 1 . 2]" 1
514 1 34 PHE QE 1 45 LEU QD . . 4.330 2.868 2.172 3.879 . 0 0 "[ . 1 . 2]" 1
515 1 34 PHE QE 1 70 ILE MD . . 4.360 3.380 2.785 3.843 . 0 0 "[ . 1 . 2]" 1
516 1 34 PHE HZ 1 39 ILE MD . . 4.150 4.016 3.480 4.150 0.000 17 0 "[ . 1 . 2]" 1
517 1 34 PHE HZ 1 45 LEU QD . . 4.600 3.217 2.512 4.449 . 0 0 "[ . 1 . 2]" 1
518 1 35 HIS H 1 35 HIS HB2 . . 4.000 2.348 2.188 2.705 . 0 0 "[ . 1 . 2]" 1
519 1 35 HIS H 1 35 HIS QB . . 3.410 2.314 2.163 2.645 . 0 0 "[ . 1 . 2]" 1
520 1 35 HIS H 1 35 HIS HB3 . . 4.000 3.510 3.413 3.736 . 0 0 "[ . 1 . 2]" 1
521 1 35 HIS HA 1 36 PHE H . . 3.120 2.320 2.310 2.323 . 0 0 "[ . 1 . 2]" 1
522 1 35 HIS QB 1 36 PHE H . . 3.770 2.719 2.591 2.794 . 0 0 "[ . 1 . 2]" 1
523 1 35 HIS QB 1 37 SER H . . 3.330 2.727 2.514 2.892 . 0 0 "[ . 1 . 2]" 1
524 1 35 HIS QB 1 38 GLU H . . 4.230 3.679 3.367 3.997 . 0 0 "[ . 1 . 2]" 1
525 1 35 HIS HB2 1 37 SER H . . 3.880 3.601 2.781 3.803 . 0 0 "[ . 1 . 2]" 1
526 1 35 HIS HB2 1 38 GLU H . . 4.900 4.210 3.447 4.590 . 0 0 "[ . 1 . 2]" 1
527 1 35 HIS HB3 1 37 SER H . . 3.880 2.864 2.562 3.402 . 0 0 "[ . 1 . 2]" 1
528 1 35 HIS HB3 1 38 GLU H . . 4.900 4.123 3.776 4.718 . 0 0 "[ . 1 . 2]" 1
529 1 36 PHE H 1 36 PHE QB . . 3.300 2.174 2.105 2.256 . 0 0 "[ . 1 . 2]" 1
530 1 36 PHE H 1 36 PHE QD . . 3.630 2.830 2.385 3.537 . 0 0 "[ . 1 . 2]" 1
531 1 36 PHE H 1 37 SER H . . 3.780 3.209 3.086 3.258 . 0 0 "[ . 1 . 2]" 1
532 1 36 PHE H 1 38 GLU H . . 4.950 4.911 4.773 4.950 0.000 14 0 "[ . 1 . 2]" 1
533 1 36 PHE HA 1 36 PHE QD . . 3.700 2.835 2.211 3.042 . 0 0 "[ . 1 . 2]" 1
534 1 36 PHE HA 1 39 ILE MD . . 3.780 2.164 1.980 2.346 . 0 0 "[ . 1 . 2]" 1
535 1 36 PHE QB 1 39 ILE MD . . 3.780 3.274 2.934 3.575 . 0 0 "[ . 1 . 2]" 1
536 1 36 PHE HB2 1 39 ILE MD . . 4.660 4.189 3.953 4.410 . 0 0 "[ . 1 . 2]" 1
537 1 36 PHE HB3 1 39 ILE MD . . 4.660 3.430 3.000 3.886 . 0 0 "[ . 1 . 2]" 1
538 1 36 PHE QD 1 39 ILE MD . . 3.900 2.475 1.910 3.166 . 0 0 "[ . 1 . 2]" 1
539 1 37 SER H 1 37 SER HB2 . . 4.000 2.555 2.449 3.083 . 0 0 "[ . 1 . 2]" 1
540 1 37 SER H 1 37 SER QB . . 3.370 2.469 2.407 2.541 . 0 0 "[ . 1 . 2]" 1
541 1 37 SER H 1 37 SER HB3 . . 4.000 3.472 2.665 3.750 . 0 0 "[ . 1 . 2]" 1
542 1 37 SER H 1 38 GLU H . . 3.700 1.818 1.798 1.863 . 0 0 "[ . 1 . 2]" 1
543 1 37 SER H 1 38 GLU HA . . 4.660 4.568 4.533 4.610 . 0 0 "[ . 1 . 2]" 1
544 1 37 SER HA 1 39 ILE H . . 4.360 3.785 3.494 3.903 . 0 0 "[ . 1 . 2]" 1
545 1 38 GLU H 1 38 GLU HB2 . . 3.330 2.516 2.409 2.729 . 0 0 "[ . 1 . 2]" 1
546 1 38 GLU H 1 38 GLU HB3 . . 3.880 3.627 3.601 3.652 . 0 0 "[ . 1 . 2]" 1
547 1 38 GLU H 1 38 GLU HG2 . . 4.000 2.833 2.047 4.001 0.001 16 0 "[ . 1 . 2]" 1
548 1 38 GLU H 1 38 GLU QG . . 3.410 2.581 2.035 3.332 . 0 0 "[ . 1 . 2]" 1
549 1 38 GLU H 1 38 GLU HG3 . . 4.000 3.680 2.826 3.987 . 0 0 "[ . 1 . 2]" 1
550 1 38 GLU H 1 39 ILE H . . 3.370 2.375 2.249 2.497 . 0 0 "[ . 1 . 2]" 1
551 1 38 GLU H 1 39 ILE HA . . 4.950 4.900 4.797 4.955 0.005 17 0 "[ . 1 . 2]" 1
552 1 38 GLU H 1 39 ILE HB . . 4.900 4.790 4.650 4.898 . 0 0 "[ . 1 . 2]" 1
553 1 38 GLU H 1 39 ILE MD . . 4.660 4.552 4.425 4.661 0.001 14 0 "[ . 1 . 2]" 1
554 1 38 GLU H 1 39 ILE HG12 . . 5.340 4.996 4.586 5.319 . 0 0 "[ . 1 . 2]" 1
555 1 38 GLU HA 1 69 ARG H . . 4.660 3.545 3.286 3.684 . 0 0 "[ . 1 . 2]" 1
556 1 38 GLU HB2 1 39 ILE H . . 4.660 3.301 3.197 3.480 . 0 0 "[ . 1 . 2]" 1
557 1 38 GLU HB2 1 69 ARG H . . 4.660 4.166 3.892 4.491 . 0 0 "[ . 1 . 2]" 1
558 1 38 GLU HB2 1 70 ILE MD . . 4.000 2.383 1.980 2.733 . 0 0 "[ . 1 . 2]" 1
559 1 38 GLU HB3 1 39 ILE H . . 5.230 4.181 4.074 4.291 . 0 0 "[ . 1 . 2]" 1
560 1 38 GLU HB3 1 68 ILE MG . . 4.660 4.524 4.112 4.660 0.000 15 0 "[ . 1 . 2]" 1
561 1 38 GLU HB3 1 69 ARG H . . 3.780 2.442 2.161 2.735 . 0 0 "[ . 1 . 2]" 1
562 1 38 GLU HB3 1 70 ILE H . . 4.360 2.356 2.043 2.628 . 0 0 "[ . 1 . 2]" 1
563 1 38 GLU HB3 1 70 ILE MD . . 4.660 3.607 3.181 3.994 . 0 0 "[ . 1 . 2]" 1
564 1 38 GLU QG 1 68 ILE MG . . 3.780 3.153 2.819 3.347 . 0 0 "[ . 1 . 2]" 1
565 1 38 GLU QG 1 69 ARG H . . 4.560 3.252 2.910 3.565 . 0 0 "[ . 1 . 2]" 1
566 1 38 GLU HG2 1 68 ILE MG . . 4.660 4.207 2.968 4.659 . 0 0 "[ . 1 . 2]" 1
567 1 38 GLU HG3 1 68 ILE MG . . 4.660 3.431 2.966 4.272 . 0 0 "[ . 1 . 2]" 1
568 1 39 ILE H 1 39 ILE HB . . 2.940 2.597 2.507 2.666 . 0 0 "[ . 1 . 2]" 1
569 1 39 ILE H 1 39 ILE MD . . 3.780 3.452 3.345 3.603 . 0 0 "[ . 1 . 2]" 1
570 1 39 ILE H 1 39 ILE HG12 . . 4.000 3.365 3.083 3.626 . 0 0 "[ . 1 . 2]" 1
571 1 39 ILE H 1 39 ILE HG13 . . 3.780 2.021 1.902 2.189 . 0 0 "[ . 1 . 2]" 1
572 1 39 ILE H 1 39 ILE MG . . 4.150 3.771 3.765 3.781 . 0 0 "[ . 1 . 2]" 1
573 1 39 ILE H 1 40 LEU H . . 4.660 2.650 2.586 2.668 . 0 0 "[ . 1 . 2]" 1
574 1 39 ILE H 1 70 ILE MD . . 5.230 3.593 3.302 4.030 . 0 0 "[ . 1 . 2]" 1
575 1 39 ILE HA 1 39 ILE MD . . 4.150 3.884 3.839 3.907 . 0 0 "[ . 1 . 2]" 1
576 1 39 ILE HA 1 39 ILE HG13 . . 4.150 3.017 2.805 3.228 . 0 0 "[ . 1 . 2]" 1
577 1 39 ILE HA 1 39 ILE MG . . 3.630 2.249 2.190 2.310 . 0 0 "[ . 1 . 2]" 1
578 1 39 ILE HA 1 40 LEU H . . 3.270 3.257 3.256 3.258 . 0 0 "[ . 1 . 2]" 1
579 1 39 ILE HA 1 70 ILE H . . 3.880 3.394 2.939 3.727 . 0 0 "[ . 1 . 2]" 1
580 1 39 ILE HA 1 70 ILE HB . . 3.370 2.153 2.003 2.305 . 0 0 "[ . 1 . 2]" 1
581 1 39 ILE HA 1 70 ILE MD . . 4.150 3.620 3.417 3.923 . 0 0 "[ . 1 . 2]" 1
582 1 39 ILE HA 1 70 ILE MG . . 4.000 3.124 2.938 3.313 . 0 0 "[ . 1 . 2]" 1
583 1 39 ILE HB 1 39 ILE MD . . 3.230 2.348 2.225 2.459 . 0 0 "[ . 1 . 2]" 1
584 1 39 ILE HB 1 40 LEU H . . 4.360 3.567 3.565 3.571 . 0 0 "[ . 1 . 2]" 1
585 1 39 ILE MD 1 45 LEU H . . 4.150 3.693 3.457 4.148 . 0 0 "[ . 1 . 2]" 1
586 1 39 ILE MD 1 45 LEU HB2 . . 4.660 3.283 2.663 3.646 . 0 0 "[ . 1 . 2]" 1
587 1 39 ILE MD 1 45 LEU HB3 . . 4.660 4.398 3.598 4.659 . 0 0 "[ . 1 . 2]" 1
588 1 39 ILE MD 1 45 LEU QD . . 3.320 2.118 1.818 2.795 . 0 0 "[ . 1 . 2]" 1
589 1 39 ILE MD 1 45 LEU HG . . 4.360 3.095 2.141 4.345 . 0 0 "[ . 1 . 2]" 1
590 1 39 ILE HG12 1 45 LEU MD1 . . 4.660 2.604 1.956 4.205 . 0 0 "[ . 1 . 2]" 1
591 1 39 ILE HG12 1 45 LEU QD . . 3.880 2.240 1.949 3.064 . 0 0 "[ . 1 . 2]" 1
592 1 39 ILE HG12 1 45 LEU MD2 . . 4.660 3.338 1.988 4.388 . 0 0 "[ . 1 . 2]" 1
593 1 39 ILE HG12 1 70 ILE MD . . 4.360 2.545 2.223 2.975 . 0 0 "[ . 1 . 2]" 1
594 1 39 ILE HG13 1 40 LEU H . . 4.660 4.419 4.328 4.512 . 0 0 "[ . 1 . 2]" 1
595 1 39 ILE MG 1 40 LEU H . . 4.310 4.099 4.024 4.160 . 0 0 "[ . 1 . 2]" 1
596 1 39 ILE MG 1 40 LEU HA . . 4.660 4.215 4.057 4.326 . 0 0 "[ . 1 . 2]" 1
597 1 39 ILE MG 1 41 ASP H . . 4.150 4.086 3.907 4.155 0.005 18 0 "[ . 1 . 2]" 1
598 1 39 ILE MG 1 42 GLY H . . 4.360 3.360 3.112 3.512 . 0 0 "[ . 1 . 2]" 1
599 1 39 ILE MG 1 43 ASN H . . 3.780 3.084 2.790 3.389 . 0 0 "[ . 1 . 2]" 1
600 1 39 ILE MG 1 43 ASN HB2 . . 3.880 3.734 3.406 3.881 0.001 10 0 "[ . 1 . 2]" 1
601 1 39 ILE MG 1 43 ASN HB3 . . 4.360 4.063 3.702 4.336 . 0 0 "[ . 1 . 2]" 1
602 1 39 ILE MG 1 45 LEU H . . 4.660 3.043 2.625 3.391 . 0 0 "[ . 1 . 2]" 1
603 1 39 ILE MG 1 45 LEU MD1 . . 3.780 2.830 1.901 3.784 0.004 14 0 "[ . 1 . 2]" 1
604 1 39 ILE MG 1 45 LEU QD . . 3.170 2.370 1.713 2.972 . 0 0 "[ . 1 . 2]" 1
605 1 39 ILE MG 1 45 LEU MD2 . . 3.780 2.868 1.716 3.452 . 0 0 "[ . 1 . 2]" 1
606 1 39 ILE MG 1 45 LEU HG . . 4.480 2.884 1.922 4.481 0.001 18 0 "[ . 1 . 2]" 1
607 1 39 ILE MG 1 70 ILE HB . . 3.700 3.602 3.401 3.701 0.001 19 0 "[ . 1 . 2]" 1
608 1 39 ILE MG 1 70 ILE MG . . 3.880 3.150 2.909 3.469 . 0 0 "[ . 1 . 2]" 1
609 1 40 LEU H 1 40 LEU QB . . 3.260 2.593 2.553 2.623 . 0 0 "[ . 1 . 2]" 1
610 1 40 LEU H 1 40 LEU MD1 . . 4.150 3.189 3.047 3.314 . 0 0 "[ . 1 . 2]" 1
611 1 40 LEU H 1 40 LEU QD . . 3.560 2.925 2.858 2.985 . 0 0 "[ . 1 . 2]" 1
612 1 40 LEU H 1 40 LEU MD2 . . 4.150 3.405 3.348 3.476 . 0 0 "[ . 1 . 2]" 1
613 1 40 LEU H 1 40 LEU HG . . 3.230 1.937 1.897 2.008 . 0 0 "[ . 1 . 2]" 1
614 1 40 LEU H 1 41 ASP H . . 4.360 2.740 2.738 2.747 . 0 0 "[ . 1 . 2]" 1
615 1 40 LEU H 1 70 ILE H . . 4.900 4.523 4.276 4.729 . 0 0 "[ . 1 . 2]" 1
616 1 40 LEU H 1 70 ILE HB . . 4.900 4.823 4.739 4.901 0.001 17 0 "[ . 1 . 2]" 1
617 1 40 LEU HA 1 40 LEU MD1 . . 4.360 3.553 3.524 3.594 . 0 0 "[ . 1 . 2]" 1
618 1 40 LEU HA 1 40 LEU QD . . 3.450 3.345 3.327 3.369 . 0 0 "[ . 1 . 2]" 1
619 1 40 LEU HA 1 40 LEU MD2 . . 4.360 4.079 4.052 4.095 . 0 0 "[ . 1 . 2]" 1
620 1 40 LEU HA 1 41 ASP H . . 3.460 3.436 3.394 3.462 0.002 17 0 "[ . 1 . 2]" 1
621 1 40 LEU QB 1 40 LEU QD . . 2.730 1.868 1.834 1.896 . 0 0 "[ . 1 . 2]" 1
622 1 40 LEU QB 1 41 ASP H . . 4.000 3.597 3.535 3.670 . 0 0 "[ . 1 . 2]" 1
623 1 40 LEU QD 1 41 ASP H . . 3.980 2.240 2.061 2.406 . 0 0 "[ . 1 . 2]" 1
624 1 40 LEU QD 1 69 ARG H . . 4.770 4.040 3.528 4.264 . 0 0 "[ . 1 . 2]" 1
625 1 40 LEU QD 1 69 ARG HA . . 3.470 2.858 2.393 3.044 . 0 0 "[ . 1 . 2]" 1
626 1 40 LEU QD 1 69 ARG QD . . 3.440 2.441 1.919 3.170 . 0 0 "[ . 1 . 2]" 1
627 1 40 LEU QD 1 69 ARG QG . . 4.640 3.495 2.655 4.085 . 0 0 "[ . 1 . 2]" 1
628 1 40 LEU QD 1 70 ILE H . . 4.030 4.015 3.956 4.033 0.003 18 0 "[ . 1 . 2]" 1
629 1 40 LEU MD1 1 69 ARG HA . . 4.410 2.898 2.404 3.103 . 0 0 "[ . 1 . 2]" 1
630 1 40 LEU MD1 1 69 ARG HD2 . . 5.470 3.157 2.211 3.909 . 0 0 "[ . 1 . 2]" 1
631 1 40 LEU MD1 1 69 ARG HD3 . . 5.470 2.760 1.970 3.887 . 0 0 "[ . 1 . 2]" 1
632 1 40 LEU MD1 1 70 ILE H . . 5.500 4.127 4.056 4.148 . 0 0 "[ . 1 . 2]" 1
633 1 40 LEU MD2 1 69 ARG HA . . 4.410 4.380 4.241 4.413 0.003 18 0 "[ . 1 . 2]" 1
634 1 40 LEU MD2 1 69 ARG HD2 . . 5.470 4.784 3.679 5.462 . 0 0 "[ . 1 . 2]" 1
635 1 40 LEU MD2 1 69 ARG HD3 . . 5.470 3.987 3.365 5.062 . 0 0 "[ . 1 . 2]" 1
636 1 40 LEU MD2 1 70 ILE H . . 5.500 5.494 5.434 5.506 0.006 18 0 "[ . 1 . 2]" 1
637 1 40 LEU HG 1 69 ARG HA . . 4.000 3.912 3.756 4.001 0.001 16 0 "[ . 1 . 2]" 1
638 1 41 ASP H 1 41 ASP QB . . 3.580 2.163 2.075 2.339 . 0 0 "[ . 1 . 2]" 1
639 1 41 ASP QB 1 42 GLY H . . 3.920 2.924 2.606 3.352 . 0 0 "[ . 1 . 2]" 1
640 1 41 ASP HB2 1 42 GLY H . . 4.510 3.596 2.858 4.059 . 0 0 "[ . 1 . 2]" 1
641 1 41 ASP HB3 1 42 GLY H . . 4.510 3.207 2.645 3.660 . 0 0 "[ . 1 . 2]" 1
642 1 42 GLY H 1 43 ASN H . . 3.410 3.012 2.848 3.180 . 0 0 "[ . 1 . 2]" 1
643 1 43 ASN H 1 43 ASN HB2 . . 3.170 3.144 2.793 3.179 0.009 18 0 "[ . 1 . 2]" 1
644 1 43 ASN H 1 43 ASN HB3 . . 4.020 3.876 3.391 3.929 . 0 0 "[ . 1 . 2]" 1
645 1 43 ASN HA 1 44 GLN H . . 3.170 2.212 2.140 3.158 . 0 0 "[ . 1 . 2]" 1
646 1 43 ASN HB2 1 43 ASN QD . . 3.260 2.105 2.095 2.137 . 0 0 "[ . 1 . 2]" 1
647 1 43 ASN HB2 1 43 ASN HD22 . . 3.880 3.438 3.433 3.451 . 0 0 "[ . 1 . 2]" 1
648 1 43 ASN HB2 1 45 LEU QD . . 4.330 3.699 2.656 4.221 . 0 0 "[ . 1 . 2]" 1
649 1 43 ASN HB2 1 72 LYS H . . 4.660 2.841 2.333 3.776 . 0 0 "[ . 1 . 2]" 1
650 1 43 ASN HB3 1 44 GLN H . . 4.000 3.637 2.928 3.970 . 0 0 "[ . 1 . 2]" 1
651 1 43 ASN HB3 1 45 LEU QD . . 4.130 2.941 1.957 3.435 . 0 0 "[ . 1 . 2]" 1
652 1 43 ASN HB3 1 72 LYS H . . 5.230 3.207 2.384 4.429 . 0 0 "[ . 1 . 2]" 1
653 1 43 ASN HB3 1 72 LYS QB . . 4.590 2.119 1.961 2.835 . 0 0 "[ . 1 . 2]" 1
654 1 43 ASN HD21 1 72 LYS HB2 . . 4.660 3.298 2.610 4.212 . 0 0 "[ . 1 . 2]" 1
655 1 43 ASN HD21 1 72 LYS HB3 . . 4.660 3.609 2.599 4.266 . 0 0 "[ . 1 . 2]" 1
656 1 43 ASN HD22 1 72 LYS HB2 . . 4.660 3.814 3.073 4.651 . 0 0 "[ . 1 . 2]" 1
657 1 43 ASN HD22 1 72 LYS HB3 . . 4.660 3.392 2.928 3.888 . 0 0 "[ . 1 . 2]" 1
658 1 44 GLN H 1 44 GLN QB . . 3.260 2.209 2.049 2.928 . 0 0 "[ . 1 . 2]" 1
659 1 44 GLN H 1 44 GLN HG2 . . 5.330 4.268 2.172 4.662 . 0 0 "[ . 1 . 2]" 1
660 1 44 GLN H 1 44 GLN QG . . 4.570 3.547 2.048 3.987 . 0 0 "[ . 1 . 2]" 1
661 1 44 GLN H 1 44 GLN HG3 . . 5.330 3.832 2.506 4.551 . 0 0 "[ . 1 . 2]" 1
662 1 44 GLN H 1 45 LEU H . . 4.660 4.159 3.514 4.530 . 0 0 "[ . 1 . 2]" 1
663 1 44 GLN HA 1 44 GLN QG . . 3.740 2.270 2.010 3.329 . 0 0 "[ . 1 . 2]" 1
664 1 44 GLN HA 1 45 LEU H . . 2.750 2.231 2.139 2.404 . 0 0 "[ . 1 . 2]" 1
665 1 44 GLN QB 1 45 LEU H . . 4.270 3.837 3.384 4.036 . 0 0 "[ . 1 . 2]" 1
666 1 44 GLN QG 1 45 LEU H . . 4.270 3.738 3.357 4.270 . 0 0 "[ . 1 . 2]" 1
667 1 45 LEU H 1 45 LEU HB2 . . 3.980 2.510 2.091 2.794 . 0 0 "[ . 1 . 2]" 1
668 1 45 LEU H 1 45 LEU QB . . 3.450 2.456 2.073 2.697 . 0 0 "[ . 1 . 2]" 1
669 1 45 LEU H 1 45 LEU HB3 . . 3.980 3.554 3.409 3.600 . 0 0 "[ . 1 . 2]" 1
670 1 45 LEU H 1 45 LEU MD1 . . 4.150 3.377 2.042 4.002 . 0 0 "[ . 1 . 2]" 1
671 1 45 LEU H 1 45 LEU MD2 . . 4.150 2.909 1.837 3.903 . 0 0 "[ . 1 . 2]" 1
672 1 45 LEU H 1 45 LEU HG . . 4.280 2.709 1.911 4.280 . 8 0 "[ . 1 . 2]" 1
673 1 45 LEU H 1 46 HIS H . . 4.660 4.625 4.567 4.649 . 0 0 "[ . 1 . 2]" 1
674 1 45 LEU HA 1 45 LEU QD . . 3.680 2.086 1.965 2.629 . 0 0 "[ . 1 . 2]" 1
675 1 45 LEU HA 1 46 HIS H . . 3.120 2.424 2.314 2.617 . 0 0 "[ . 1 . 2]" 1
676 1 45 LEU QB 1 45 LEU QD . . 2.850 1.943 1.899 2.019 . 0 0 "[ . 1 . 2]" 1
677 1 45 LEU QB 1 46 HIS H . . 3.260 2.378 1.952 2.594 . 0 0 "[ . 1 . 2]" 1
678 1 45 LEU QB 1 49 ASP QB . . 4.670 3.547 3.007 4.017 . 0 0 "[ . 1 . 2]" 1
679 1 45 LEU HB2 1 46 HIS H . . 3.780 3.590 3.081 3.777 . 0 0 "[ . 1 . 2]" 1
680 1 45 LEU HB3 1 46 HIS H . . 3.780 2.417 1.964 2.654 . 0 0 "[ . 1 . 2]" 1
681 1 45 LEU QD 1 46 HIS H . . 3.780 3.354 2.750 3.685 . 0 0 "[ . 1 . 2]" 1
682 1 45 LEU QD 1 49 ASP QB . . 3.680 3.256 2.508 3.662 . 0 0 "[ . 1 . 2]" 1
683 1 45 LEU QD 1 70 ILE HB . . 4.750 3.536 3.168 3.938 . 0 0 "[ . 1 . 2]" 1
684 1 45 LEU QD 1 72 LYS H . . 4.620 3.715 2.956 4.380 . 0 0 "[ . 1 . 2]" 1
685 1 45 LEU QD 1 72 LYS HA . . 4.330 3.610 2.987 4.129 . 0 0 "[ . 1 . 2]" 1
686 1 45 LEU QD 1 72 LYS QB . . 3.610 2.991 2.026 3.600 . 0 0 "[ . 1 . 2]" 1
687 1 45 LEU QD 1 72 LYS QD . . 3.360 2.531 2.021 3.360 . 0 0 "[ . 1 . 2]" 1
688 1 45 LEU QD 1 72 LYS QE . . 3.860 3.606 1.921 3.861 0.001 15 0 "[ . 1 . 2]" 1
689 1 45 LEU QD 1 72 LYS QG . . 3.210 2.761 1.737 3.209 . 0 0 "[ . 1 . 2]" 1
690 1 45 LEU MD1 1 46 HIS H . . 4.660 4.106 2.784 4.632 . 0 0 "[ . 1 . 2]" 1
691 1 45 LEU MD2 1 46 HIS H . . 4.660 3.762 3.354 4.355 . 0 0 "[ . 1 . 2]" 1
692 1 46 HIS H 1 46 HIS HB2 . . 4.150 3.082 2.711 4.014 . 0 0 "[ . 1 . 2]" 1
693 1 46 HIS H 1 46 HIS QB . . 3.370 2.859 2.633 3.224 . 0 0 "[ . 1 . 2]" 1
694 1 46 HIS H 1 46 HIS HB3 . . 4.150 3.537 2.962 3.729 . 0 0 "[ . 1 . 2]" 1
695 1 46 HIS H 1 49 ASP H . . 4.630 4.414 4.164 4.604 . 0 0 "[ . 1 . 2]" 1
696 1 46 HIS H 1 49 ASP HB2 . . 4.660 2.331 2.120 2.596 . 0 0 "[ . 1 . 2]" 1
697 1 46 HIS H 1 49 ASP QB . . 4.000 2.260 2.088 2.419 . 0 0 "[ . 1 . 2]" 1
698 1 46 HIS H 1 49 ASP HB3 . . 4.660 3.263 2.212 3.628 . 0 0 "[ . 1 . 2]" 1
699 1 46 HIS H 1 72 LYS QE . . 4.560 4.088 2.977 4.532 . 0 0 "[ . 1 . 2]" 1
700 1 46 HIS HA 1 47 ILE H . . 3.330 2.363 2.198 2.682 . 0 0 "[ . 1 . 2]" 1
701 1 46 HIS QB 1 47 ILE H . . 3.200 2.841 2.092 3.173 . 0 0 "[ . 1 . 2]" 1
702 1 47 ILE H 1 47 ILE HB . . 3.080 2.641 2.516 2.802 . 0 0 "[ . 1 . 2]" 1
703 1 47 ILE H 1 47 ILE MD . . 3.560 3.011 2.357 3.485 . 0 0 "[ . 1 . 2]" 1
704 1 47 ILE H 1 47 ILE HG12 . . 3.630 2.016 1.914 2.147 . 0 0 "[ . 1 . 2]" 1
705 1 47 ILE H 1 47 ILE QG . . 3.100 2.004 1.904 2.132 . 0 0 "[ . 1 . 2]" 1
706 1 47 ILE H 1 47 ILE HG13 . . 3.630 3.529 3.290 3.616 . 0 0 "[ . 1 . 2]" 1
707 1 47 ILE H 1 47 ILE MG . . 4.000 3.770 3.757 3.785 . 0 0 "[ . 1 . 2]" 1
708 1 47 ILE HA 1 47 ILE MD . . 3.260 2.066 1.953 2.257 . 0 0 "[ . 1 . 2]" 1
709 1 47 ILE HA 1 47 ILE QG . . 3.740 2.914 2.765 3.089 . 0 0 "[ . 1 . 2]" 1
710 1 47 ILE HA 1 47 ILE MG . . 3.370 2.353 2.235 2.466 . 0 0 "[ . 1 . 2]" 1
711 1 47 ILE HA 1 48 ALA H . . 2.940 2.150 2.140 2.211 . 0 0 "[ . 1 . 2]" 1
712 1 47 ILE HA 1 48 ALA HA . . 4.630 4.366 4.358 4.398 . 0 0 "[ . 1 . 2]" 1
713 1 47 ILE HA 1 48 ALA MB . . 4.660 4.002 3.880 4.164 . 0 0 "[ . 1 . 2]" 1
714 1 47 ILE HB 1 47 ILE MD . . 3.460 3.218 3.197 3.230 . 0 0 "[ . 1 . 2]" 1
715 1 47 ILE MD 1 48 ALA H . . 4.360 3.599 3.271 3.857 . 0 0 "[ . 1 . 2]" 1
716 1 47 ILE QG 1 47 ILE MG . . 2.950 2.259 2.095 2.421 . 0 0 "[ . 1 . 2]" 1
717 1 47 ILE HG12 1 47 ILE MG . . 3.510 3.185 3.156 3.199 . 0 0 "[ . 1 . 2]" 1
718 1 47 ILE HG13 1 47 ILE MG . . 3.510 2.312 2.127 2.513 . 0 0 "[ . 1 . 2]" 1
719 1 47 ILE MG 1 48 ALA H . . 3.330 2.665 2.134 3.007 . 0 0 "[ . 1 . 2]" 1
720 1 47 ILE MG 1 48 ALA HA . . 4.150 3.911 3.656 4.112 . 0 0 "[ . 1 . 2]" 1
721 1 47 ILE MG 1 48 ALA MB . . 3.100 2.512 2.280 2.636 . 0 0 "[ . 1 . 2]" 1
722 1 48 ALA H 1 48 ALA MB . . 3.510 2.901 2.708 2.997 . 0 0 "[ . 1 . 2]" 1
723 1 48 ALA H 1 49 ASP H . . 3.780 2.862 2.485 3.592 . 0 0 "[ . 1 . 2]" 1
724 1 48 ALA MB 1 49 ASP H . . 4.000 3.700 3.601 3.720 . 0 0 "[ . 1 . 2]" 1
725 1 49 ASP H 1 49 ASP QB . . 3.520 2.474 2.310 2.593 . 0 0 "[ . 1 . 2]" 1
726 1 49 ASP HA 1 50 GLU H . . 3.330 2.329 2.140 3.232 . 0 0 "[ . 1 . 2]" 1
727 1 49 ASP QB 1 50 GLU H . . 3.600 3.299 3.015 3.600 . 0 0 "[ . 1 . 2]" 1
728 1 49 ASP QB 1 51 VAL MG1 . . 4.000 3.120 2.849 3.401 . 0 0 "[ . 1 . 2]" 1
729 1 49 ASP QB 1 72 LYS QG . . 4.830 2.892 2.430 4.119 . 0 0 "[ . 1 . 2]" 1
730 1 49 ASP HB2 1 50 GLU H . . 4.410 4.232 3.715 4.409 . 0 0 "[ . 1 . 2]" 1
731 1 49 ASP HB2 1 51 VAL MG1 . . 4.660 3.917 3.477 4.616 . 0 0 "[ . 1 . 2]" 1
732 1 49 ASP HB3 1 50 GLU H . . 4.410 3.507 3.091 4.262 . 0 0 "[ . 1 . 2]" 1
733 1 49 ASP HB3 1 51 VAL MG1 . . 4.660 3.324 2.925 3.839 . 0 0 "[ . 1 . 2]" 1
734 1 50 GLU H 1 50 GLU QB . . 3.240 2.599 2.369 3.248 0.008 10 0 "[ . 1 . 2]" 1
735 1 50 GLU H 1 50 GLU HG2 . . 4.220 3.749 3.357 4.153 . 0 0 "[ . 1 . 2]" 1
736 1 50 GLU H 1 50 GLU QG . . 3.440 2.419 2.051 3.045 . 0 0 "[ . 1 . 2]" 1
737 1 50 GLU H 1 50 GLU HG3 . . 4.220 2.469 2.063 3.234 . 0 0 "[ . 1 . 2]" 1
738 1 50 GLU HA 1 51 VAL H . . 3.260 2.177 2.139 2.243 . 0 0 "[ . 1 . 2]" 1
739 1 50 GLU QB 1 51 VAL H . . 3.820 3.111 2.796 3.553 . 0 0 "[ . 1 . 2]" 1
740 1 50 GLU QB 1 73 LEU H . . 4.270 3.196 2.688 3.716 . 0 0 "[ . 1 . 2]" 1
741 1 50 GLU QB 1 73 LEU MD1 . . 4.550 2.569 2.181 3.486 . 0 0 "[ . 1 . 2]" 1
742 1 50 GLU QB 1 78 VAL H . . 4.530 4.171 3.731 4.530 . 0 0 "[ . 1 . 2]" 1
743 1 50 GLU QB 1 78 VAL QG . . 3.160 2.287 1.858 3.063 . 0 0 "[ . 1 . 2]" 1
744 1 50 GLU HB2 1 73 LEU HB2 . . 4.400 2.722 2.083 3.711 . 0 0 "[ . 1 . 2]" 1
745 1 50 GLU HB3 1 73 LEU HB2 . . 4.400 2.620 2.053 3.382 . 0 0 "[ . 1 . 2]" 1
746 1 50 GLU QG 1 51 VAL H . . 5.090 4.139 3.922 4.440 . 0 0 "[ . 1 . 2]" 1
747 1 50 GLU QG 1 78 VAL HB . . 4.270 2.507 2.003 4.267 . 0 0 "[ . 1 . 2]" 1
748 1 50 GLU QG 1 78 VAL QG . . 4.240 2.312 1.809 2.921 . 0 0 "[ . 1 . 2]" 1
749 1 51 VAL H 1 51 VAL HB . . 4.150 3.867 3.713 3.949 . 0 0 "[ . 1 . 2]" 1
750 1 51 VAL H 1 51 VAL MG1 . . 3.880 3.083 2.829 3.437 . 0 0 "[ . 1 . 2]" 1
751 1 51 VAL H 1 51 VAL MG2 . . 3.200 2.239 1.886 2.504 . 0 0 "[ . 1 . 2]" 1
752 1 51 VAL H 1 73 LEU MD1 . . 4.660 3.129 2.219 4.249 . 0 0 "[ . 1 . 2]" 1
753 1 51 VAL H 1 78 VAL QG . . 4.220 3.902 3.633 4.220 0.000 13 0 "[ . 1 . 2]" 1
754 1 51 VAL HA 1 51 VAL MG1 . . 3.410 2.295 2.052 2.442 . 0 0 "[ . 1 . 2]" 1
755 1 51 VAL HA 1 52 GLU H . . 3.040 2.293 2.182 2.464 . 0 0 "[ . 1 . 2]" 1
756 1 51 VAL HA 1 71 LYS H . . 4.660 4.566 4.271 4.662 0.002 14 0 "[ . 1 . 2]" 1
757 1 51 VAL HA 1 72 LYS HA . . 4.150 2.282 2.002 2.814 . 0 0 "[ . 1 . 2]" 1
758 1 51 VAL HA 1 73 LEU H . . 3.700 2.662 2.169 3.167 . 0 0 "[ . 1 . 2]" 1
759 1 51 VAL HA 1 73 LEU MD1 . . 3.880 3.176 2.722 3.532 . 0 0 "[ . 1 . 2]" 1
760 1 51 VAL HA 1 73 LEU HG . . 4.360 2.975 2.456 3.407 . 0 0 "[ . 1 . 2]" 1
761 1 51 VAL HB 1 52 GLU H . . 3.390 2.694 2.257 3.064 . 0 0 "[ . 1 . 2]" 1
762 1 51 VAL HB 1 53 PHE QD . . 4.500 3.432 2.997 3.827 . 0 0 "[ . 1 . 2]" 1
763 1 51 VAL HB 1 70 ILE MG . . 3.490 2.335 2.074 2.602 . 0 0 "[ . 1 . 2]" 1
764 1 51 VAL MG1 1 52 GLU H . . 4.000 3.731 3.452 3.913 . 0 0 "[ . 1 . 2]" 1
765 1 51 VAL MG1 1 71 LYS H . . 5.000 4.528 4.147 4.945 . 0 0 "[ . 1 . 2]" 1
766 1 51 VAL MG1 1 72 LYS H . . 4.660 3.957 3.469 4.527 . 0 0 "[ . 1 . 2]" 1
767 1 51 VAL MG1 1 72 LYS HA . . 3.700 2.297 1.981 2.685 . 0 0 "[ . 1 . 2]" 1
768 1 51 VAL MG1 1 72 LYS QD . . 4.740 3.628 2.767 4.556 . 0 0 "[ . 1 . 2]" 1
769 1 51 VAL MG1 1 72 LYS QG . . 3.620 2.386 1.838 3.012 . 0 0 "[ . 1 . 2]" 1
770 1 51 VAL MG1 1 73 LEU H . . 4.150 3.579 3.177 4.009 . 0 0 "[ . 1 . 2]" 1
771 1 51 VAL MG1 1 73 LEU HG . . 5.370 4.750 4.316 5.146 . 0 0 "[ . 1 . 2]" 1
772 1 51 VAL MG2 1 52 GLU H . . 4.380 3.666 3.278 4.088 . 0 0 "[ . 1 . 2]" 1
773 1 51 VAL MG2 1 53 PHE HB3 . . 5.100 4.347 3.951 5.093 . 0 0 "[ . 1 . 2]" 1
774 1 51 VAL MG2 1 53 PHE QD . . 3.410 2.467 2.059 3.180 . 0 0 "[ . 1 . 2]" 1
775 1 51 VAL MG2 1 53 PHE QE . . 3.780 2.166 1.875 2.515 . 0 0 "[ . 1 . 2]" 1
776 1 52 GLU H 1 52 GLU HB2 . . 3.880 2.930 2.515 3.243 . 0 0 "[ . 1 . 2]" 1
777 1 52 GLU H 1 52 GLU QB . . 3.370 2.461 2.300 2.611 . 0 0 "[ . 1 . 2]" 1
778 1 52 GLU H 1 52 GLU HB3 . . 3.880 2.705 2.368 3.016 . 0 0 "[ . 1 . 2]" 1
779 1 52 GLU H 1 52 GLU HG2 . . 5.050 4.521 4.196 4.765 . 0 0 "[ . 1 . 2]" 1
780 1 52 GLU H 1 52 GLU QG . . 4.310 4.060 3.860 4.153 . 0 0 "[ . 1 . 2]" 1
781 1 52 GLU H 1 52 GLU HG3 . . 5.050 4.624 4.393 4.907 . 0 0 "[ . 1 . 2]" 1
782 1 52 GLU H 1 53 PHE QD . . 5.230 4.312 3.656 5.032 . 0 0 "[ . 1 . 2]" 1
783 1 52 GLU H 1 70 ILE MG . . 4.760 3.743 3.362 4.179 . 0 0 "[ . 1 . 2]" 1
784 1 52 GLU H 1 71 LYS H . . 3.780 2.952 2.423 3.275 . 0 0 "[ . 1 . 2]" 1
785 1 52 GLU H 1 71 LYS QB . . 4.340 3.683 3.284 4.168 . 0 0 "[ . 1 . 2]" 1
786 1 52 GLU H 1 72 LYS HA . . 4.360 3.713 3.253 4.241 . 0 0 "[ . 1 . 2]" 1
787 1 52 GLU H 1 73 LEU H . . 4.660 4.247 3.586 4.611 . 0 0 "[ . 1 . 2]" 1
788 1 52 GLU H 1 73 LEU MD1 . . 4.000 3.348 2.790 3.827 . 0 0 "[ . 1 . 2]" 1
789 1 52 GLU H 1 73 LEU MD2 . . 4.150 3.924 3.483 4.094 . 0 0 "[ . 1 . 2]" 1
790 1 52 GLU H 1 73 LEU HG . . 4.580 3.016 2.712 3.328 . 0 0 "[ . 1 . 2]" 1
791 1 52 GLU HA 1 52 GLU QG . . 3.660 2.387 2.204 2.597 . 0 0 "[ . 1 . 2]" 1
792 1 52 GLU HA 1 53 PHE H . . 3.000 2.152 2.138 2.170 . 0 0 "[ . 1 . 2]" 1
793 1 52 GLU HA 1 53 PHE QD . . 4.660 3.845 3.026 4.305 . 0 0 "[ . 1 . 2]" 1
794 1 52 GLU HA 1 73 LEU MD1 . . 4.660 2.987 2.522 3.190 . 0 0 "[ . 1 . 2]" 1
795 1 52 GLU QB 1 53 PHE H . . 4.270 3.723 3.587 3.853 . 0 0 "[ . 1 . 2]" 1
796 1 52 GLU QB 1 73 LEU MD1 . . 3.290 2.106 1.878 2.564 . 0 0 "[ . 1 . 2]" 1
797 1 52 GLU QB 1 73 LEU MD2 . . 3.230 2.077 1.841 2.475 . 0 0 "[ . 1 . 2]" 1
798 1 52 GLU QG 1 53 PHE H . . 3.720 2.701 2.378 3.181 . 0 0 "[ . 1 . 2]" 1
799 1 52 GLU QG 1 73 LEU MD1 . . 4.130 3.242 2.106 4.022 . 0 0 "[ . 1 . 2]" 1
800 1 52 GLU QG 1 73 LEU MD2 . . 4.390 3.318 2.119 3.781 . 0 0 "[ . 1 . 2]" 1
801 1 52 GLU HG2 1 53 PHE H . . 4.250 3.152 2.401 3.977 . 0 0 "[ . 1 . 2]" 1
802 1 52 GLU HG3 1 53 PHE H . . 4.250 3.379 2.531 4.205 . 0 0 "[ . 1 . 2]" 1
803 1 53 PHE H 1 53 PHE QD . . 3.780 2.934 2.482 3.259 . 0 0 "[ . 1 . 2]" 1
804 1 53 PHE HA 1 54 THR H . . 3.330 2.327 2.228 2.382 . 0 0 "[ . 1 . 2]" 1
805 1 53 PHE HA 1 67 ALA MB . . 5.500 4.168 3.894 4.494 . 0 0 "[ . 1 . 2]" 1
806 1 53 PHE HB2 1 54 THR H . . 3.230 2.655 2.482 2.969 . 0 0 "[ . 1 . 2]" 1
807 1 53 PHE HB2 1 55 VAL QG . . 4.860 3.242 2.190 4.357 . 0 0 "[ . 1 . 2]" 1
808 1 53 PHE HB2 1 67 ALA MB . . 4.230 2.185 1.948 2.852 . 0 0 "[ . 1 . 2]" 1
809 1 53 PHE HB2 1 68 ILE H . . 4.430 2.916 2.521 3.286 . 0 0 "[ . 1 . 2]" 1
810 1 53 PHE HB2 1 70 ILE MD . . 5.500 5.223 4.745 5.499 . 0 0 "[ . 1 . 2]" 1
811 1 53 PHE HB3 1 67 ALA MB . . 4.620 2.375 2.037 2.708 . 0 0 "[ . 1 . 2]" 1
812 1 53 PHE HB3 1 70 ILE H . . 5.240 5.205 5.030 5.239 . 0 0 "[ . 1 . 2]" 1
813 1 53 PHE HB3 1 70 ILE HA . . 4.360 3.207 3.091 3.327 . 0 0 "[ . 1 . 2]" 1
814 1 53 PHE HB3 1 70 ILE MD . . 5.500 4.294 3.914 4.524 . 0 0 "[ . 1 . 2]" 1
815 1 53 PHE HB3 1 70 ILE HG12 . . 3.890 2.901 2.485 3.173 . 0 0 "[ . 1 . 2]" 1
816 1 53 PHE HB3 1 70 ILE HG13 . . 4.660 3.916 3.669 4.394 . 0 0 "[ . 1 . 2]" 1
817 1 53 PHE HB3 1 70 ILE MG . . 5.400 4.141 3.884 4.447 . 0 0 "[ . 1 . 2]" 1
818 1 53 PHE HB3 1 71 LYS H . . 4.660 4.494 4.356 4.659 . 0 0 "[ . 1 . 2]" 1
819 1 53 PHE QD 1 54 THR H . . 4.250 4.003 3.684 4.238 . 0 0 "[ . 1 . 2]" 1
820 1 53 PHE QD 1 55 VAL HB . . 5.150 4.192 2.810 5.103 . 0 0 "[ . 1 . 2]" 1
821 1 53 PHE QD 1 55 VAL QG . . 3.500 2.099 1.791 2.489 . 0 0 "[ . 1 . 2]" 1
822 1 53 PHE QD 1 67 ALA HA . . 4.660 3.520 2.520 4.440 . 0 0 "[ . 1 . 2]" 1
823 1 53 PHE QD 1 67 ALA MB . . 3.630 2.607 2.110 2.935 . 0 0 "[ . 1 . 2]" 1
824 1 53 PHE QE 1 55 VAL QG . . 3.330 2.539 1.909 3.234 . 0 0 "[ . 1 . 2]" 1
825 1 53 PHE HZ 1 55 VAL QG . . 4.620 4.227 3.568 4.565 . 0 0 "[ . 1 . 2]" 1
826 1 54 THR H 1 54 THR HB . . 3.460 2.564 2.483 2.699 . 0 0 "[ . 1 . 2]" 1
827 1 54 THR H 1 54 THR MG . . 4.660 3.796 3.766 3.832 . 0 0 "[ . 1 . 2]" 1
828 1 54 THR H 1 55 VAL H . . 4.660 3.590 2.411 4.553 . 0 0 "[ . 1 . 2]" 1
829 1 54 THR H 1 55 VAL QG . . 4.780 4.163 3.428 4.675 . 0 0 "[ . 1 . 2]" 1
830 1 54 THR H 1 67 ALA HA . . 4.660 4.038 3.472 4.616 . 0 0 "[ . 1 . 2]" 1
831 1 54 THR H 1 67 ALA MB . . 5.000 4.365 3.955 4.864 . 0 0 "[ . 1 . 2]" 1
832 1 54 THR H 1 68 ILE H . . 3.780 3.025 2.442 3.685 . 0 0 "[ . 1 . 2]" 1
833 1 54 THR H 1 68 ILE MD . . 5.160 3.745 3.349 4.199 . 0 0 "[ . 1 . 2]" 1
834 1 54 THR H 1 68 ILE HG12 . . 5.060 3.623 2.845 4.207 . 0 0 "[ . 1 . 2]" 1
835 1 54 THR H 1 68 ILE QG . . 4.300 2.627 2.298 3.152 . 0 0 "[ . 1 . 2]" 1
836 1 54 THR H 1 68 ILE HG13 . . 5.060 2.713 2.336 3.258 . 0 0 "[ . 1 . 2]" 1
837 1 54 THR HB 1 56 VAL MG1 . . 4.580 3.883 3.357 4.393 . 0 0 "[ . 1 . 2]" 1
838 1 54 THR HB 1 56 VAL MG2 . . 5.050 4.214 3.034 4.798 . 0 0 "[ . 1 . 2]" 1
839 1 54 THR HB 1 68 ILE H . . 4.660 3.845 3.374 4.201 . 0 0 "[ . 1 . 2]" 1
840 1 54 THR HB 1 68 ILE MD . . 3.700 2.452 2.108 2.963 . 0 0 "[ . 1 . 2]" 1
841 1 54 THR HB 1 68 ILE HG12 . . 3.700 2.597 2.001 3.231 . 0 0 "[ . 1 . 2]" 1
842 1 54 THR HB 1 68 ILE QG . . 3.200 2.329 1.866 2.790 . 0 0 "[ . 1 . 2]" 1
843 1 54 THR HB 1 68 ILE HG13 . . 3.700 2.710 2.229 3.253 . 0 0 "[ . 1 . 2]" 1
844 1 54 THR MG 1 55 VAL H . . 3.460 2.968 2.245 3.445 . 0 0 "[ . 1 . 2]" 1
845 1 54 THR MG 1 55 VAL HB . . 4.950 4.492 4.257 4.861 . 0 0 "[ . 1 . 2]" 1
846 1 54 THR MG 1 56 VAL MG1 . . 3.200 2.215 1.980 2.455 . 0 0 "[ . 1 . 2]" 1
847 1 54 THR MG 1 56 VAL MG2 . . 4.150 3.317 1.945 3.942 . 0 0 "[ . 1 . 2]" 1
848 1 54 THR MG 1 68 ILE MD . . 3.460 3.123 2.615 3.453 . 0 0 "[ . 1 . 2]" 1
849 1 55 VAL H 1 55 VAL HB . . 3.600 2.983 2.436 3.601 0.001 16 0 "[ . 1 . 2]" 1
850 1 55 VAL H 1 55 VAL MG1 . . 4.480 3.909 3.757 4.081 . 0 0 "[ . 1 . 2]" 1
851 1 55 VAL H 1 55 VAL QG . . 3.390 2.554 2.060 2.754 . 0 0 "[ . 1 . 2]" 1
852 1 55 VAL H 1 55 VAL MG2 . . 4.480 2.591 2.069 2.825 . 0 0 "[ . 1 . 2]" 1
853 1 55 VAL H 1 56 VAL H . . 4.660 4.172 3.520 4.518 . 0 0 "[ . 1 . 2]" 1
854 1 55 VAL H 1 56 VAL MG1 . . 4.660 3.969 3.554 4.509 . 0 0 "[ . 1 . 2]" 1
855 1 55 VAL HA 1 56 VAL H . . 3.200 2.164 2.140 2.230 . 0 0 "[ . 1 . 2]" 1
856 1 55 VAL QG 1 56 VAL H . . 3.300 2.645 2.233 3.091 . 0 0 "[ . 1 . 2]" 1
857 1 55 VAL QG 1 65 ASN HA . . 4.800 3.786 2.850 4.323 . 0 0 "[ . 1 . 2]" 1
858 1 55 VAL QG 1 65 ASN QB . . 3.290 2.055 1.759 2.425 . 0 0 "[ . 1 . 2]" 1
859 1 55 VAL QG 1 65 ASN QD . . 4.370 2.951 1.857 3.913 . 0 0 "[ . 1 . 2]" 1
860 1 55 VAL QG 1 66 HIS H . . 3.980 3.513 2.948 3.979 . 0 0 "[ . 1 . 2]" 1
861 1 55 VAL QG 1 67 ALA HA . . 4.330 3.081 1.886 4.116 . 0 0 "[ . 1 . 2]" 1
862 1 55 VAL MG1 1 56 VAL H . . 4.150 2.688 2.248 3.198 . 0 0 "[ . 1 . 2]" 1
863 1 55 VAL MG2 1 56 VAL H . . 4.150 4.026 3.814 4.150 . 0 0 "[ . 1 . 2]" 1
864 1 56 VAL H 1 56 VAL HB . . 4.000 3.860 3.673 3.966 . 0 0 "[ . 1 . 2]" 1
865 1 56 VAL H 1 56 VAL MG1 . . 4.360 3.230 2.937 3.519 . 0 0 "[ . 1 . 2]" 1
866 1 56 VAL H 1 56 VAL MG2 . . 3.370 2.236 1.887 2.534 . 0 0 "[ . 1 . 2]" 1
867 1 56 VAL H 1 65 ASN HA . . 4.150 3.892 3.299 4.149 . 0 0 "[ . 1 . 2]" 1
868 1 56 VAL H 1 65 ASN HB2 . . 5.500 4.310 2.662 5.381 . 0 0 "[ . 1 . 2]" 1
869 1 56 VAL H 1 65 ASN HB3 . . 5.500 3.652 2.488 5.367 . 0 0 "[ . 1 . 2]" 1
870 1 56 VAL H 1 66 HIS H . . 3.780 3.202 2.764 3.669 . 0 0 "[ . 1 . 2]" 1
871 1 56 VAL HB 1 57 PRO HD2 . . 3.810 2.248 2.000 2.410 . 0 0 "[ . 1 . 2]" 1
872 1 56 VAL HB 1 57 PRO QD . . 3.300 2.228 1.987 2.385 . 0 0 "[ . 1 . 2]" 1
873 1 56 VAL HB 1 57 PRO HD3 . . 3.810 3.661 3.451 3.791 . 0 0 "[ . 1 . 2]" 1
874 1 56 VAL MG1 1 57 PRO HD2 . . 4.150 2.998 2.435 3.257 . 0 0 "[ . 1 . 2]" 1
875 1 56 VAL MG1 1 57 PRO HD3 . . 4.150 3.770 3.232 4.007 . 0 0 "[ . 1 . 2]" 1
876 1 56 VAL MG2 1 57 PRO QD . . 4.560 3.634 3.454 3.769 . 0 0 "[ . 1 . 2]" 1
877 1 56 VAL MG2 1 66 HIS H . . 4.800 3.891 3.144 4.490 . 0 0 "[ . 1 . 2]" 1
878 1 56 VAL MG2 1 66 HIS HD2 . . 3.830 2.997 2.293 3.807 . 0 0 "[ . 1 . 2]" 1
879 1 57 PRO HA 1 65 ASN HA . . 4.660 3.554 2.691 4.289 . 0 0 "[ . 1 . 2]" 1
880 1 57 PRO HB2 1 58 ASP H . . 4.660 3.640 2.775 4.197 . 0 0 "[ . 1 . 2]" 1
881 1 57 PRO HB3 1 58 ASP H . . 4.660 4.148 3.538 4.510 . 0 0 "[ . 1 . 2]" 1
882 1 58 ASP H 1 65 ASN HA . . 4.660 4.124 3.273 4.661 0.001 8 0 "[ . 1 . 2]" 1
883 1 58 ASP HA 1 59 MET H . . 3.040 2.413 2.218 2.635 . 0 0 "[ . 1 . 2]" 1
884 1 58 ASP HA 1 60 LEU H . . 4.630 4.257 3.714 4.628 . 0 0 "[ . 1 . 2]" 1
885 1 58 ASP QB 1 61 SER H . . 4.560 3.319 2.001 4.314 . 0 0 "[ . 1 . 2]" 1
886 1 58 ASP HB2 1 59 MET H . . 4.000 3.744 3.259 4.000 . 0 0 "[ . 1 . 2]" 1
887 1 58 ASP HB2 1 60 LEU H . . 4.660 3.802 2.771 4.545 . 0 0 "[ . 1 . 2]" 1
888 1 58 ASP HB3 1 59 MET H . . 4.000 2.633 1.974 3.353 . 0 0 "[ . 1 . 2]" 1
889 1 58 ASP HB3 1 60 LEU H . . 4.660 2.819 2.074 3.620 . 0 0 "[ . 1 . 2]" 1
890 1 59 MET H 1 59 MET HB2 . . 3.880 2.878 2.095 3.879 . 0 0 "[ . 1 . 2]" 1
891 1 59 MET H 1 59 MET QB . . 3.230 2.520 2.070 3.225 . 0 0 "[ . 1 . 2]" 1
892 1 59 MET H 1 59 MET HB3 . . 3.880 3.302 2.591 3.794 . 0 0 "[ . 1 . 2]" 1
893 1 59 MET H 1 59 MET HG2 . . 4.150 3.079 2.045 3.998 . 0 0 "[ . 1 . 2]" 1
894 1 59 MET H 1 59 MET HG3 . . 4.150 3.273 1.900 4.029 . 0 0 "[ . 1 . 2]" 1
895 1 59 MET H 1 60 LEU H . . 3.510 2.587 1.970 3.092 . 0 0 "[ . 1 . 2]" 1
896 1 59 MET HA 1 59 MET ME . . 4.150 3.646 2.586 4.141 . 0 0 "[ . 1 . 2]" 1
897 1 59 MET HA 1 59 MET HG2 . . 4.150 2.891 2.018 4.053 . 0 0 "[ . 1 . 2]" 1
898 1 59 MET HA 1 59 MET QG . . 3.630 2.670 1.998 3.365 . 0 0 "[ . 1 . 2]" 1
899 1 59 MET HA 1 59 MET HG3 . . 4.150 3.570 2.544 4.119 . 0 0 "[ . 1 . 2]" 1
900 1 59 MET HA 1 60 LEU H . . 3.560 3.200 2.680 3.568 0.008 12 0 "[ . 1 . 2]" 1
901 1 59 MET HB2 1 59 MET HG2 . . 2.910 2.846 2.752 2.913 0.003 12 0 "[ . 1 . 2]" 1
902 1 59 MET HB2 1 59 MET HG3 . . 2.910 2.353 2.204 2.833 . 0 0 "[ . 1 . 2]" 1
903 1 59 MET HB3 1 59 MET HG2 . . 2.910 2.677 2.205 2.905 . 0 0 "[ . 1 . 2]" 1
904 1 59 MET HB3 1 59 MET HG3 . . 2.910 2.842 2.745 2.911 0.001 2 0 "[ . 1 . 2]" 1
905 1 60 LEU H 1 60 LEU HB2 . . 4.000 2.538 2.047 3.880 . 0 0 "[ . 1 . 2]" 1
906 1 60 LEU H 1 60 LEU QB . . 3.170 2.342 2.024 2.822 . 0 0 "[ . 1 . 2]" 1
907 1 60 LEU H 1 60 LEU HB3 . . 4.000 3.402 2.272 3.802 . 0 0 "[ . 1 . 2]" 1
908 1 60 LEU H 1 60 LEU MD1 . . 4.660 3.603 2.460 4.283 . 0 0 "[ . 1 . 2]" 1
909 1 60 LEU H 1 60 LEU MD2 . . 4.660 4.188 3.539 4.522 . 0 0 "[ . 1 . 2]" 1
910 1 60 LEU H 1 60 LEU HG . . 3.880 3.276 2.422 3.844 . 0 0 "[ . 1 . 2]" 1
911 1 60 LEU H 1 61 SER H . . 3.200 2.474 1.836 3.170 . 0 0 "[ . 1 . 2]" 1
912 1 60 LEU HA 1 60 LEU MD1 . . 4.660 3.640 2.357 3.878 . 0 0 "[ . 1 . 2]" 1
913 1 60 LEU HA 1 60 LEU QD . . 3.120 2.567 2.023 3.120 . 15 0 "[ . 1 . 2]" 1
914 1 60 LEU HA 1 60 LEU MD2 . . 4.660 2.808 2.030 4.113 . 0 0 "[ . 1 . 2]" 1
915 1 60 LEU HA 1 60 LEU HG . . 3.780 2.715 2.210 3.711 . 0 0 "[ . 1 . 2]" 1
916 1 60 LEU QB 1 60 LEU QD . . 2.830 1.833 1.748 1.931 . 0 0 "[ . 1 . 2]" 1
917 1 60 LEU QB 1 61 SER H . . 3.990 2.761 1.939 3.844 . 0 0 "[ . 1 . 2]" 1
918 1 60 LEU HB2 1 61 SER H . . 4.620 3.093 2.179 4.306 . 0 0 "[ . 1 . 2]" 1
919 1 60 LEU HB3 1 61 SER H . . 4.620 3.315 1.969 4.436 . 0 0 "[ . 1 . 2]" 1
920 1 60 LEU HG 1 61 SER H . . 5.130 4.407 2.016 5.117 . 0 0 "[ . 1 . 2]" 1
921 1 61 SER H 1 61 SER HG . . 3.880 3.111 1.933 3.878 . 0 0 "[ . 1 . 2]" 1
922 1 61 SER H 1 62 ALA H . . 4.410 3.734 2.080 4.443 0.033 20 0 "[ . 1 . 2]" 1
923 1 61 SER HA 1 61 SER HG . . 4.000 2.882 2.056 3.704 . 0 0 "[ . 1 . 2]" 1
924 1 61 SER HA 1 62 ALA H . . 3.370 2.497 2.139 3.332 . 0 0 "[ . 1 . 2]" 1
925 1 61 SER HA 1 63 GLN H . . 4.660 4.116 3.155 4.633 . 0 0 "[ . 1 . 2]" 1
926 1 61 SER QB 1 63 GLN H . . 4.640 3.735 2.661 4.610 . 0 0 "[ . 1 . 2]" 1
927 1 61 SER HB2 1 62 ALA H . . 5.350 3.894 2.252 4.563 . 0 0 "[ . 1 . 2]" 1
928 1 61 SER HB2 1 63 GLN H . . 5.380 4.436 2.790 5.389 0.009 20 0 "[ . 1 . 2]" 1
929 1 61 SER HB3 1 62 ALA H . . 5.350 3.698 2.228 4.644 . 0 0 "[ . 1 . 2]" 1
930 1 61 SER HB3 1 63 GLN H . . 5.380 4.281 2.692 5.340 . 0 0 "[ . 1 . 2]" 1
931 1 61 SER HG 1 62 ALA H . . 5.230 4.352 3.450 5.116 . 0 0 "[ . 1 . 2]" 1
932 1 62 ALA H 1 62 ALA MB . . 3.230 2.441 2.036 2.965 . 0 0 "[ . 1 . 2]" 1
933 1 62 ALA H 1 63 GLN H . . 3.700 2.985 2.430 3.700 . 0 0 "[ . 1 . 2]" 1
934 1 62 ALA MB 1 63 GLN H . . 3.880 3.119 2.059 3.714 . 0 0 "[ . 1 . 2]" 1
935 1 63 GLN H 1 63 GLN HB2 . . 3.780 2.794 2.197 3.630 . 0 0 "[ . 1 . 2]" 1
936 1 63 GLN H 1 63 GLN QB . . 3.230 2.600 2.174 3.023 . 0 0 "[ . 1 . 2]" 1
937 1 63 GLN H 1 63 GLN HB3 . . 3.780 3.374 2.568 3.773 . 0 0 "[ . 1 . 2]" 1
938 1 63 GLN H 1 63 GLN HG2 . . 5.500 4.422 2.982 5.225 . 0 0 "[ . 1 . 2]" 1
939 1 63 GLN H 1 63 GLN QG . . 4.830 3.692 2.061 4.285 . 0 0 "[ . 1 . 2]" 1
940 1 63 GLN H 1 63 GLN HG3 . . 5.500 4.013 2.098 4.944 . 0 0 "[ . 1 . 2]" 1
941 1 63 GLN HA 1 64 ARG H . . 3.510 2.497 2.159 3.528 0.018 18 0 "[ . 1 . 2]" 1
942 1 63 GLN HG2 1 64 ARG H . . 5.500 4.283 2.360 5.006 . 0 0 "[ . 1 . 2]" 1
943 1 63 GLN HG3 1 64 ARG H . . 5.500 4.361 3.369 5.480 . 0 0 "[ . 1 . 2]" 1
944 1 64 ARG H 1 64 ARG HB2 . . 3.780 3.001 2.118 3.412 . 0 0 "[ . 1 . 2]" 1
945 1 64 ARG H 1 64 ARG QB . . 3.300 2.771 2.099 3.036 . 0 0 "[ . 1 . 2]" 1
946 1 64 ARG H 1 64 ARG HB3 . . 3.780 3.392 2.862 3.781 0.001 14 0 "[ . 1 . 2]" 1
947 1 64 ARG H 1 64 ARG HG2 . . 5.500 4.811 3.423 5.319 . 0 0 "[ . 1 . 2]" 1
948 1 64 ARG H 1 64 ARG QG . . 4.830 4.119 3.120 4.358 . 0 0 "[ . 1 . 2]" 1
949 1 64 ARG H 1 64 ARG HG3 . . 5.500 4.515 3.597 4.924 . 0 0 "[ . 1 . 2]" 1
950 1 64 ARG H 1 65 ASN H . . 4.250 3.890 2.232 4.253 0.003 8 0 "[ . 1 . 2]" 1
951 1 64 ARG HA 1 64 ARG HD2 . . 5.340 3.658 2.167 4.668 . 0 0 "[ . 1 . 2]" 1
952 1 64 ARG HA 1 64 ARG QD . . 4.550 3.279 2.133 4.051 . 0 0 "[ . 1 . 2]" 1
953 1 64 ARG HA 1 64 ARG HD3 . . 5.340 3.962 3.189 4.793 . 0 0 "[ . 1 . 2]" 1
954 1 64 ARG HA 1 65 ASN H . . 3.230 2.324 2.141 3.054 . 0 0 "[ . 1 . 2]" 1
955 1 64 ARG QB 1 64 ARG QD . . 3.300 2.087 1.944 2.295 . 0 0 "[ . 1 . 2]" 1
956 1 64 ARG QB 1 65 ASN H . . 4.220 3.481 1.892 3.986 . 0 0 "[ . 1 . 2]" 1
957 1 64 ARG QG 1 65 ASN H . . 4.510 3.106 2.223 4.477 . 0 0 "[ . 1 . 2]" 1
958 1 65 ASN H 1 65 ASN QD . . 4.550 3.470 2.315 4.515 . 0 0 "[ . 1 . 2]" 1
959 1 65 ASN H 1 66 HIS H . . 4.630 4.462 4.292 4.627 . 0 0 "[ . 1 . 2]" 1
960 1 65 ASN HA 1 66 HIS H . . 3.190 2.274 2.140 2.615 . 0 0 "[ . 1 . 2]" 1
961 1 65 ASN HA 1 66 HIS HD2 . . 5.030 3.883 3.523 4.965 . 0 0 "[ . 1 . 2]" 1
962 1 65 ASN QB 1 66 HIS H . . 3.860 2.840 2.126 3.597 . 0 0 "[ . 1 . 2]" 1
963 1 65 ASN HB2 1 66 HIS H . . 4.540 3.380 2.155 4.015 . 0 0 "[ . 1 . 2]" 1
964 1 65 ASN HB3 1 66 HIS H . . 4.540 3.333 2.179 4.306 . 0 0 "[ . 1 . 2]" 1
965 1 66 HIS H 1 66 HIS HD2 . . 3.780 2.104 1.907 2.957 . 0 0 "[ . 1 . 2]" 1
966 1 66 HIS H 1 67 ALA H . . 4.630 4.417 4.275 4.541 . 0 0 "[ . 1 . 2]" 1
967 1 66 HIS H 1 68 ILE MG . . 5.500 4.919 4.620 5.340 . 0 0 "[ . 1 . 2]" 1
968 1 66 HIS HA 1 67 ALA H . . 3.260 2.358 2.197 2.562 . 0 0 "[ . 1 . 2]" 1
969 1 66 HIS QB 1 67 ALA H . . 3.370 2.593 2.103 2.980 . 0 0 "[ . 1 . 2]" 1
970 1 66 HIS HD2 1 67 ALA H . . 4.900 4.597 3.629 4.878 . 0 0 "[ . 1 . 2]" 1
971 1 66 HIS HD2 1 68 ILE MG . . 4.000 3.325 2.434 3.754 . 0 0 "[ . 1 . 2]" 1
972 1 66 HIS HE1 1 68 ILE MG . . 4.000 2.758 2.120 4.000 . 0 0 "[ . 1 . 2]" 1
973 1 67 ALA H 1 67 ALA MB . . 3.330 2.285 2.103 2.528 . 0 0 "[ . 1 . 2]" 1
974 1 67 ALA HA 1 68 ILE H . . 3.080 2.149 2.141 2.184 . 0 0 "[ . 1 . 2]" 1
975 1 67 ALA MB 1 68 ILE H . . 3.720 3.204 2.949 3.349 . 0 0 "[ . 1 . 2]" 1
976 1 67 ALA MB 1 70 ILE MD . . 3.260 2.827 2.402 3.256 . 0 0 "[ . 1 . 2]" 1
977 1 67 ALA MB 1 70 ILE HG12 . . 4.150 2.871 2.576 3.285 . 0 0 "[ . 1 . 2]" 1
978 1 68 ILE H 1 68 ILE MD . . 4.100 3.788 3.596 3.965 . 0 0 "[ . 1 . 2]" 1
979 1 68 ILE H 1 68 ILE HG12 . . 3.880 2.515 2.205 3.140 . 0 0 "[ . 1 . 2]" 1
980 1 68 ILE H 1 68 ILE QG . . 3.370 2.102 1.903 2.303 . 0 0 "[ . 1 . 2]" 1
981 1 68 ILE H 1 68 ILE HG13 . . 3.880 2.327 1.919 2.625 . 0 0 "[ . 1 . 2]" 1
982 1 68 ILE H 1 68 ILE MG . . 3.780 2.835 2.620 3.020 . 0 0 "[ . 1 . 2]" 1
983 1 68 ILE HB 1 68 ILE MD . . 3.330 2.195 2.051 2.382 . 0 0 "[ . 1 . 2]" 1
984 1 68 ILE HB 1 69 ARG H . . 3.330 2.483 2.249 2.666 . 0 0 "[ . 1 . 2]" 1
985 1 68 ILE HB 1 69 ARG QG . . 4.270 2.880 2.378 3.232 . 0 0 "[ . 1 . 2]" 1
986 1 68 ILE MD 1 69 ARG H . . 4.480 3.872 3.352 4.435 . 0 0 "[ . 1 . 2]" 1
987 1 68 ILE MD 1 69 ARG QB . . 4.270 3.201 2.510 3.840 . 0 0 "[ . 1 . 2]" 1
988 1 68 ILE MD 1 69 ARG QG . . 3.600 2.693 1.976 3.397 . 0 0 "[ . 1 . 2]" 1
989 1 68 ILE QG 1 69 ARG H . . 4.560 3.848 3.626 4.006 . 0 0 "[ . 1 . 2]" 1
990 1 68 ILE MG 1 69 ARG H . . 4.360 3.633 3.445 3.730 . 0 0 "[ . 1 . 2]" 1
991 1 68 ILE MG 1 69 ARG QG . . 4.560 4.221 3.897 4.424 . 0 0 "[ . 1 . 2]" 1
992 1 69 ARG H 1 69 ARG QG . . 3.640 2.349 2.167 2.655 . 0 0 "[ . 1 . 2]" 1
993 1 69 ARG H 1 70 ILE H . . 3.780 3.422 3.194 3.625 . 0 0 "[ . 1 . 2]" 1
994 1 69 ARG H 1 70 ILE HG13 . . 4.660 4.441 4.295 4.613 . 0 0 "[ . 1 . 2]" 1
995 1 69 ARG HA 1 69 ARG HD2 . . 5.020 3.426 2.594 4.293 . 0 0 "[ . 1 . 2]" 1
996 1 69 ARG HA 1 69 ARG QD . . 4.280 2.781 2.072 3.607 . 0 0 "[ . 1 . 2]" 1
997 1 69 ARG HA 1 69 ARG HD3 . . 5.020 3.219 2.089 4.508 . 0 0 "[ . 1 . 2]" 1
998 1 69 ARG HA 1 69 ARG HG2 . . 4.150 2.682 2.297 2.975 . 0 0 "[ . 1 . 2]" 1
999 1 69 ARG HA 1 69 ARG QG . . 3.460 2.623 2.261 2.889 . 0 0 "[ . 1 . 2]" 1
1000 1 69 ARG HA 1 69 ARG HG3 . . 4.150 3.743 3.387 3.915 . 0 0 "[ . 1 . 2]" 1
1001 1 69 ARG HA 1 70 ILE H . . 3.230 2.371 2.251 2.551 . 0 0 "[ . 1 . 2]" 1
1002 1 69 ARG QB 1 69 ARG QD . . 3.150 2.109 1.947 2.522 . 0 0 "[ . 1 . 2]" 1
1003 1 69 ARG QB 1 70 ILE H . . 4.270 3.840 3.740 3.905 . 0 0 "[ . 1 . 2]" 1
1004 1 70 ILE H 1 70 ILE HB . . 3.170 2.409 2.348 2.517 . 0 0 "[ . 1 . 2]" 1
1005 1 70 ILE H 1 70 ILE MD . . 4.000 3.692 3.503 3.891 . 0 0 "[ . 1 . 2]" 1
1006 1 70 ILE H 1 70 ILE HG12 . . 3.780 3.698 3.342 3.780 . 0 0 "[ . 1 . 2]" 1
1007 1 70 ILE H 1 70 ILE HG13 . . 3.510 2.468 2.193 2.578 . 0 0 "[ . 1 . 2]" 1
1008 1 70 ILE H 1 70 ILE MG . . 4.360 3.742 3.714 3.765 . 0 0 "[ . 1 . 2]" 1
1009 1 70 ILE HA 1 70 ILE MD . . 4.360 3.799 3.757 3.838 . 0 0 "[ . 1 . 2]" 1
1010 1 70 ILE HA 1 70 ILE MG . . 3.560 2.433 2.363 2.501 . 0 0 "[ . 1 . 2]" 1
1011 1 70 ILE HA 1 71 LYS H . . 2.970 2.142 2.139 2.151 . 0 0 "[ . 1 . 2]" 1
1012 1 70 ILE HB 1 70 ILE MD . . 3.510 2.408 2.322 2.485 . 0 0 "[ . 1 . 2]" 1
1013 1 70 ILE MD 1 71 LYS H . . 5.230 5.182 4.996 5.232 0.002 17 0 "[ . 1 . 2]" 1
1014 1 70 ILE HG12 1 71 LYS H . . 5.370 4.328 4.086 4.481 . 0 0 "[ . 1 . 2]" 1
1015 1 70 ILE MG 1 71 LYS H . . 3.630 2.695 2.396 3.075 . 0 0 "[ . 1 . 2]" 1
1016 1 71 LYS H 1 71 LYS HB2 . . 3.780 2.967 2.394 3.212 . 0 0 "[ . 1 . 2]" 1
1017 1 71 LYS H 1 71 LYS HB3 . . 3.780 2.773 2.511 3.069 . 0 0 "[ . 1 . 2]" 1
1018 1 71 LYS H 1 71 LYS HG2 . . 5.340 4.500 4.331 4.664 . 0 0 "[ . 1 . 2]" 1
1019 1 71 LYS H 1 71 LYS QG . . 4.550 4.102 3.909 4.158 . 0 0 "[ . 1 . 2]" 1
1020 1 71 LYS H 1 71 LYS HG3 . . 5.340 4.744 4.232 4.937 . 0 0 "[ . 1 . 2]" 1
1021 1 71 LYS H 1 72 LYS H . . 5.230 4.229 4.061 4.469 . 0 0 "[ . 1 . 2]" 1
1022 1 71 LYS HA 1 72 LYS H . . 3.260 2.160 2.139 2.285 . 0 0 "[ . 1 . 2]" 1
1023 1 71 LYS QE 1 71 LYS QG . . 3.250 2.098 1.950 2.310 . 0 0 "[ . 1 . 2]" 1
1024 1 71 LYS QE 1 73 LEU MD2 . . 4.780 3.635 2.362 4.354 . 0 0 "[ . 1 . 2]" 1
1025 1 71 LYS HE2 1 73 LEU MD2 . . 5.500 4.050 2.424 5.382 . 0 0 "[ . 1 . 2]" 1
1026 1 71 LYS HE3 1 73 LEU MD2 . . 5.500 4.359 3.265 5.265 . 0 0 "[ . 1 . 2]" 1
1027 1 71 LYS QG 1 72 LYS H . . 4.530 2.895 2.060 3.389 . 0 0 "[ . 1 . 2]" 1
1028 1 72 LYS H 1 72 LYS HB2 . . 3.230 2.169 2.060 2.495 . 0 0 "[ . 1 . 2]" 1
1029 1 72 LYS H 1 72 LYS HB3 . . 3.230 3.015 2.579 3.229 . 0 0 "[ . 1 . 2]" 1
1030 1 72 LYS H 1 73 LEU H . . 4.630 4.573 4.381 4.646 0.016 13 0 "[ . 1 . 2]" 1
1031 1 72 LYS HA 1 73 LEU H . . 3.000 2.208 2.142 2.334 . 0 0 "[ . 1 . 2]" 1
1032 1 72 LYS QB 1 73 LEU H . . 4.270 3.460 3.092 3.843 . 0 0 "[ . 1 . 2]" 1
1033 1 72 LYS QE 1 72 LYS QG . . 3.060 2.146 1.955 2.369 . 0 0 "[ . 1 . 2]" 1
1034 1 72 LYS QG 1 73 LEU H . . 3.560 2.807 2.147 3.483 . 0 0 "[ . 1 . 2]" 1
1035 1 73 LEU H 1 73 LEU HB2 . . 3.810 2.491 2.409 2.668 . 0 0 "[ . 1 . 2]" 1
1036 1 73 LEU H 1 73 LEU MD1 . . 4.000 3.431 3.107 3.947 . 0 0 "[ . 1 . 2]" 1
1037 1 73 LEU H 1 73 LEU MD2 . . 4.150 3.956 3.710 4.150 0.000 15 0 "[ . 1 . 2]" 1
1038 1 73 LEU H 1 73 LEU HG . . 3.630 2.701 2.395 3.023 . 0 0 "[ . 1 . 2]" 1
1039 1 73 LEU HB2 1 73 LEU MD1 . . 3.150 2.154 1.972 2.368 . 0 0 "[ . 1 . 2]" 1
1040 1 73 LEU HB2 1 77 THR HB . . 4.760 3.926 3.563 4.399 . 0 0 "[ . 1 . 2]" 1
1041 1 73 LEU HB3 1 73 LEU MD2 . . 3.410 2.130 1.957 2.335 . 0 0 "[ . 1 . 2]" 1
1042 1 73 LEU HB3 1 74 PRO HD2 . . 4.000 2.200 2.016 2.341 . 0 0 "[ . 1 . 2]" 1
1043 1 73 LEU HB3 1 74 PRO QD . . 3.470 2.182 2.003 2.319 . 0 0 "[ . 1 . 2]" 1
1044 1 73 LEU HB3 1 74 PRO HD3 . . 4.000 3.616 3.459 3.737 . 0 0 "[ . 1 . 2]" 1
1045 1 73 LEU HB3 1 77 THR HB . . 4.910 3.149 2.734 3.782 . 0 0 "[ . 1 . 2]" 1
1046 1 73 LEU MD1 1 77 THR HB . . 4.150 3.599 3.186 3.968 . 0 0 "[ . 1 . 2]" 1
1047 1 73 LEU MD1 1 77 THR MG . . 3.230 2.798 2.374 3.201 . 0 0 "[ . 1 . 2]" 1
1048 1 73 LEU MD1 1 78 VAL QG . . 3.980 2.275 1.760 3.105 . 0 0 "[ . 1 . 2]" 1
1049 1 73 LEU MD2 1 74 PRO HD2 . . 4.000 2.455 2.044 2.878 . 0 0 "[ . 1 . 2]" 1
1050 1 73 LEU MD2 1 74 PRO QD . . 3.510 2.400 2.010 2.773 . 0 0 "[ . 1 . 2]" 1
1051 1 73 LEU MD2 1 74 PRO HD3 . . 4.000 3.405 2.970 3.770 . 0 0 "[ . 1 . 2]" 1
1052 1 74 PRO HA 1 75 LYS H . . 2.760 2.296 2.226 2.408 . 0 0 "[ . 1 . 2]" 1
1053 1 74 PRO QB 1 75 LYS H . . 3.700 2.792 2.519 2.981 . 0 0 "[ . 1 . 2]" 1
1054 1 74 PRO QG 1 75 LYS H . . 4.480 4.349 4.151 4.479 . 0 0 "[ . 1 . 2]" 1
1055 1 75 LYS H 1 75 LYS HB2 . . 3.370 2.119 2.063 2.295 . 0 0 "[ . 1 . 2]" 1
1056 1 75 LYS H 1 75 LYS QB . . 2.830 2.083 2.040 2.201 . 0 0 "[ . 1 . 2]" 1
1057 1 75 LYS H 1 75 LYS HB3 . . 3.370 3.153 2.815 3.368 . 0 0 "[ . 1 . 2]" 1
1058 1 75 LYS H 1 75 LYS HD2 . . 5.500 4.392 2.577 5.347 . 0 0 "[ . 1 . 2]" 1
1059 1 75 LYS H 1 75 LYS HD3 . . 5.500 4.416 2.935 5.488 . 0 0 "[ . 1 . 2]" 1
1060 1 75 LYS H 1 75 LYS HG2 . . 4.630 4.500 4.360 4.633 0.003 6 0 "[ . 1 . 2]" 1
1061 1 75 LYS H 1 75 LYS QG . . 3.930 3.690 3.253 3.930 . 0 0 "[ . 1 . 2]" 1
1062 1 75 LYS H 1 75 LYS HG3 . . 4.630 3.936 3.357 4.376 . 0 0 "[ . 1 . 2]" 1
1063 1 75 LYS H 1 76 GLY H . . 4.660 4.563 4.332 4.644 . 0 0 "[ . 1 . 2]" 1
1064 1 75 LYS HA 1 75 LYS HD2 . . 5.340 4.059 2.940 4.652 . 0 0 "[ . 1 . 2]" 1
1065 1 75 LYS HA 1 75 LYS QD . . 4.560 3.612 2.193 4.010 . 0 0 "[ . 1 . 2]" 1
1066 1 75 LYS HA 1 75 LYS HD3 . . 5.340 4.176 2.217 4.699 . 0 0 "[ . 1 . 2]" 1
1067 1 75 LYS HA 1 75 LYS QG . . 3.670 2.169 2.020 2.365 . 0 0 "[ . 1 . 2]" 1
1068 1 75 LYS HA 1 76 GLY H . . 2.850 2.199 2.145 2.327 . 0 0 "[ . 1 . 2]" 1
1069 1 75 LYS HA 1 77 THR H . . 4.360 4.091 3.572 4.358 . 0 0 "[ . 1 . 2]" 1
1070 1 75 LYS QB 1 76 GLY H . . 3.930 3.416 2.811 3.803 . 0 0 "[ . 1 . 2]" 1
1071 1 75 LYS HG2 1 76 GLY H . . 4.360 3.528 2.357 4.353 . 0 0 "[ . 1 . 2]" 1
1072 1 75 LYS HG3 1 76 GLY H . . 4.360 3.518 2.754 4.349 . 0 0 "[ . 1 . 2]" 1
1073 1 76 GLY H 1 77 THR H . . 3.200 2.710 2.165 3.095 . 0 0 "[ . 1 . 2]" 1
1074 1 76 GLY H 1 78 VAL H . . 4.360 3.985 3.183 4.360 . 0 0 "[ . 1 . 2]" 1
1075 1 77 THR H 1 77 THR HB . . 3.330 2.776 2.453 3.093 . 0 0 "[ . 1 . 2]" 1
1076 1 77 THR H 1 77 THR MG . . 4.360 3.874 3.758 4.006 . 0 0 "[ . 1 . 2]" 1
1077 1 77 THR H 1 78 VAL QG . . 4.620 4.139 3.557 4.619 . 0 0 "[ . 1 . 2]" 1
1078 1 77 THR HA 1 77 THR MG . . 3.170 2.353 2.269 2.473 . 0 0 "[ . 1 . 2]" 1
1079 1 77 THR HB 1 78 VAL H . . 3.460 2.252 1.937 2.683 . 0 0 "[ . 1 . 2]" 1
1080 1 77 THR HB 1 78 VAL QG . . 4.330 2.741 2.401 3.505 . 0 0 "[ . 1 . 2]" 1
1081 1 77 THR MG 1 78 VAL H . . 4.000 3.170 2.596 3.615 . 0 0 "[ . 1 . 2]" 1
1082 1 77 THR MG 1 78 VAL QG . . 4.620 2.522 1.971 3.459 . 0 0 "[ . 1 . 2]" 1
1083 1 78 VAL H 1 78 VAL HB . . 3.300 2.730 2.591 2.957 . 0 0 "[ . 1 . 2]" 1
1084 1 78 VAL H 1 78 VAL MG1 . . 3.880 3.568 2.005 3.888 0.008 12 0 "[ . 1 . 2]" 1
1085 1 78 VAL H 1 78 VAL QG . . 3.100 2.223 1.999 2.491 . 0 0 "[ . 1 . 2]" 1
1086 1 78 VAL H 1 78 VAL MG2 . . 3.880 2.499 2.039 3.868 . 0 0 "[ . 1 . 2]" 1
1087 1 78 VAL H 1 79 SER H . . 4.630 4.556 4.501 4.630 . 0 0 "[ . 1 . 2]" 1
1088 1 78 VAL HA 1 78 VAL MG1 . . 3.460 2.362 2.056 3.203 . 0 0 "[ . 1 . 2]" 1
1089 1 78 VAL HA 1 78 VAL MG2 . . 3.460 2.465 2.116 2.673 . 0 0 "[ . 1 . 2]" 1
1090 1 78 VAL HA 1 79 SER H . . 2.760 2.324 2.264 2.495 . 0 0 "[ . 1 . 2]" 1
1091 1 78 VAL HB 1 79 SER H . . 3.780 3.617 3.351 3.780 0.000 8 0 "[ . 1 . 2]" 1
1092 1 78 VAL QG 1 79 SER H . . 3.320 1.978 1.765 2.153 . 0 0 "[ . 1 . 2]" 1
1093 1 78 VAL QG 1 80 PHE H . . 5.440 4.598 3.979 5.411 . 0 0 "[ . 1 . 2]" 1
1094 1 78 VAL MG1 1 79 SER H . . 4.250 2.213 1.877 3.764 . 0 0 "[ . 1 . 2]" 1
1095 1 78 VAL MG2 1 79 SER H . . 4.250 3.652 1.780 4.154 . 0 0 "[ . 1 . 2]" 1
1096 1 79 SER H 1 79 SER QB . . 3.310 2.888 2.074 3.322 0.012 18 0 "[ . 1 . 2]" 1
1097 1 79 SER H 1 80 PHE H . . 4.630 4.236 3.855 4.407 . 0 0 "[ . 1 . 2]" 1
1098 1 79 SER HA 1 80 PHE H . . 2.980 2.407 2.138 2.894 . 0 0 "[ . 1 . 2]" 1
1099 1 79 SER QB 1 80 PHE H . . 3.980 2.720 1.933 3.553 . 0 0 "[ . 1 . 2]" 1
1100 1 79 SER QB 1 80 PHE HA . . 4.080 4.004 3.800 4.084 0.004 18 0 "[ . 1 . 2]" 1
1101 1 80 PHE H 1 80 PHE QB . . 3.370 2.957 2.515 3.371 0.001 19 0 "[ . 1 . 2]" 1
1102 1 80 PHE H 1 80 PHE QD . . 3.780 2.422 1.986 3.241 . 0 0 "[ . 1 . 2]" 1
1103 1 80 PHE H 1 80 PHE QE . . 4.660 4.410 3.962 4.659 . 0 0 "[ . 1 . 2]" 1
1104 1 80 PHE HA 1 80 PHE QD . . 4.360 3.369 3.032 3.719 . 0 0 "[ . 1 . 2]" 1
1105 1 81 HIS H 1 81 HIS QB . . 3.590 2.582 2.045 3.342 . 0 0 "[ . 1 . 2]" 1
1106 1 84 SER HB2 1 85 GLY H . . 5.430 3.823 2.123 4.587 . 0 0 "[ . 1 . 2]" 1
1107 1 84 SER HB3 1 85 GLY H . . 5.430 3.570 1.965 4.468 . 0 0 "[ . 1 . 2]" 1
1108 1 85 GLY QA 1 86 PRO QD . . 3.050 1.983 1.908 2.280 . 0 0 "[ . 1 . 2]" 1
1109 1 85 GLY QA 1 86 PRO QG . . 4.280 3.730 3.659 4.060 . 0 0 "[ . 1 . 2]" 1
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