NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
590572 |
2mpk   |
19987 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mpk
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 1284
_Distance_constraint_stats_list.Viol_count 1631
_Distance_constraint_stats_list.Viol_total 889.835
_Distance_constraint_stats_list.Viol_max 0.297
_Distance_constraint_stats_list.Viol_rms 0.0108
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0273
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLY 0.024 0.005 6 0 "[ . 1 . 2]"
1 3 THR 0.434 0.030 16 0 "[ . 1 . 2]"
1 4 ILE 0.799 0.043 9 0 "[ . 1 . 2]"
1 5 ASP 0.212 0.030 18 0 "[ . 1 . 2]"
1 6 ASP 0.265 0.069 9 0 "[ . 1 . 2]"
1 7 ALA 0.586 0.054 9 0 "[ . 1 . 2]"
1 8 PHE 1.841 0.073 16 0 "[ . 1 . 2]"
1 9 ARG 0.825 0.153 16 0 "[ . 1 . 2]"
1 10 ALA 0.648 0.153 16 0 "[ . 1 . 2]"
1 11 ILE 1.390 0.073 16 0 "[ . 1 . 2]"
1 12 GLU 0.088 0.024 18 0 "[ . 1 . 2]"
1 13 ARG 0.025 0.015 12 0 "[ . 1 . 2]"
1 14 ALA 0.090 0.028 1 0 "[ . 1 . 2]"
1 15 ILE 0.930 0.082 6 0 "[ . 1 . 2]"
1 16 GLN 0.034 0.024 18 0 "[ . 1 . 2]"
1 17 ALA 1.058 0.294 18 0 "[ . 1 . 2]"
1 18 GLU 1.163 0.297 17 0 "[ . 1 . 2]"
1 19 ASN 1.320 0.297 17 0 "[ . 1 . 2]"
1 20 GLU 0.418 0.201 15 0 "[ . 1 . 2]"
1 21 GLY 0.330 0.201 15 0 "[ . 1 . 2]"
1 22 ARG 0.349 0.055 15 0 "[ . 1 . 2]"
1 23 TYR 0.833 0.235 18 0 "[ . 1 . 2]"
1 24 ARG 0.193 0.121 13 0 "[ . 1 . 2]"
1 25 GLU 0.430 0.121 13 0 "[ . 1 . 2]"
1 26 ALA 0.259 0.055 15 0 "[ . 1 . 2]"
1 27 LEU 0.648 0.032 6 0 "[ . 1 . 2]"
1 28 LYS 0.286 0.045 16 0 "[ . 1 . 2]"
1 29 HIS 0.351 0.039 9 0 "[ . 1 . 2]"
1 30 PHE 0.802 0.165 16 0 "[ . 1 . 2]"
1 31 LEU 0.893 0.192 16 0 "[ . 1 . 2]"
1 32 ASP 1.234 0.192 16 0 "[ . 1 . 2]"
1 33 GLY 0.160 0.033 3 0 "[ . 1 . 2]"
1 34 GLY 1.890 0.173 16 0 "[ . 1 . 2]"
1 35 GLU 0.345 0.051 16 0 "[ . 1 . 2]"
1 36 MET 0.355 0.173 16 0 "[ . 1 . 2]"
1 37 ILE 2.862 0.163 16 0 "[ . 1 . 2]"
1 38 VAL 0.280 0.031 18 0 "[ . 1 . 2]"
1 39 THR 0.227 0.041 4 0 "[ . 1 . 2]"
1 40 ALA 0.926 0.073 10 0 "[ . 1 . 2]"
1 41 ALA 1.121 0.065 12 0 "[ . 1 . 2]"
1 42 GLU 0.107 0.037 16 0 "[ . 1 . 2]"
1 43 LYS 0.240 0.037 16 0 "[ . 1 . 2]"
1 44 GLU 0.473 0.065 10 0 "[ . 1 . 2]"
1 45 ALA 0.350 0.044 12 0 "[ . 1 . 2]"
1 46 SER 0.198 0.062 10 0 "[ . 1 . 2]"
1 47 GLN 2.178 0.161 9 0 "[ . 1 . 2]"
1 48 LYS 0.014 0.013 9 0 "[ . 1 . 2]"
1 49 VAL 1.326 0.161 9 0 "[ . 1 . 2]"
1 50 ARG 3.534 0.218 19 0 "[ . 1 . 2]"
1 51 ASN 2.292 0.122 5 0 "[ . 1 . 2]"
1 52 LEU 2.166 0.102 8 0 "[ . 1 . 2]"
1 53 LEU 4.669 0.218 19 0 "[ . 1 . 2]"
1 54 LEU 1.911 0.122 5 0 "[ . 1 . 2]"
1 55 HIS 0.500 0.211 14 0 "[ . 1 . 2]"
1 56 LYS 0.971 0.070 9 0 "[ . 1 . 2]"
1 57 GLY 0.912 0.087 20 0 "[ . 1 . 2]"
1 58 LYS 2.072 0.211 14 0 "[ . 1 . 2]"
1 59 GLU 1.725 0.108 2 0 "[ . 1 . 2]"
1 60 VAL 0.742 0.063 1 0 "[ . 1 . 2]"
1 61 LEU 2.855 0.108 2 0 "[ . 1 . 2]"
1 62 GLU 0.295 0.056 13 0 "[ . 1 . 2]"
1 63 TRP 1.394 0.084 18 0 "[ . 1 . 2]"
1 64 ALA 0.500 0.037 16 0 "[ . 1 . 2]"
1 65 GLU 1.598 0.093 18 0 "[ . 1 . 2]"
1 66 HIS 1.653 0.132 18 0 "[ . 1 . 2]"
1 67 LEU 4.743 0.132 18 0 "[ . 1 . 2]"
1 68 ALA 2.504 0.102 18 0 "[ . 1 . 2]"
1 69 GLU 3.800 0.092 16 0 "[ . 1 . 2]"
1 70 TRP 1.002 0.064 18 0 "[ . 1 . 2]"
1 71 ILE 4.573 0.235 18 0 "[ . 1 . 2]"
1 72 LEU 4.068 0.294 18 0 "[ . 1 . 2]"
1 73 GLU 1.746 0.077 13 0 "[ . 1 . 2]"
1 74 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLY H 1 3 THR MG . . 4.390 3.345 2.635 4.391 0.001 13 0 "[ . 1 . 2]" 1
2 1 2 GLY QA 1 3 THR H . . 2.910 2.461 2.182 2.869 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLY QA 1 3 THR MG . . 3.890 3.726 3.349 3.895 0.005 6 0 "[ . 1 . 2]" 1
4 1 2 GLY HA2 1 3 THR MG . . 4.570 4.229 3.444 4.572 0.002 8 0 "[ . 1 . 2]" 1
5 1 2 GLY HA3 1 3 THR MG . . 4.570 4.251 3.451 4.572 0.002 10 0 "[ . 1 . 2]" 1
6 1 3 THR H 1 3 THR MG . . 4.500 2.771 2.315 3.217 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR H 1 4 ILE H . . 4.660 4.370 4.315 4.427 . 0 0 "[ . 1 . 2]" 1
8 1 3 THR H 1 6 ASP H . . 3.990 3.702 3.101 3.820 . 0 0 "[ . 1 . 2]" 1
9 1 3 THR H 1 6 ASP HA . . 5.300 5.283 4.940 5.314 0.014 16 0 "[ . 1 . 2]" 1
10 1 3 THR H 1 6 ASP HB2 . . 4.170 2.753 2.604 2.945 . 0 0 "[ . 1 . 2]" 1
11 1 3 THR H 1 6 ASP QB . . 3.600 2.617 2.523 2.706 . 0 0 "[ . 1 . 2]" 1
12 1 3 THR H 1 6 ASP HB3 . . 4.170 3.354 2.932 3.836 . 0 0 "[ . 1 . 2]" 1
13 1 3 THR HA 1 4 ILE H . . 2.960 2.282 2.243 2.537 . 0 0 "[ . 1 . 2]" 1
14 1 3 THR HA 1 4 ILE HB . . 4.810 4.793 4.416 4.840 0.030 16 0 "[ . 1 . 2]" 1
15 1 3 THR HA 1 4 ILE MG . . 6.000 5.473 4.879 5.550 . 0 0 "[ . 1 . 2]" 1
16 1 3 THR HA 1 5 ASP H . . 4.430 4.191 4.064 4.274 . 0 0 "[ . 1 . 2]" 1
17 1 3 THR HA 1 6 ASP QB . . 5.140 4.641 4.527 4.827 . 0 0 "[ . 1 . 2]" 1
18 1 3 THR MG 1 4 ILE H . . 3.750 3.678 3.538 3.757 0.007 6 0 "[ . 1 . 2]" 1
19 1 3 THR MG 1 5 ASP H . . 4.330 3.537 2.162 4.320 . 0 0 "[ . 1 . 2]" 1
20 1 4 ILE H 1 4 ILE HB . . 3.290 2.546 2.141 2.604 . 0 0 "[ . 1 . 2]" 1
21 1 4 ILE H 1 4 ILE MD . . 4.320 3.154 2.991 4.220 . 0 0 "[ . 1 . 2]" 1
22 1 4 ILE H 1 4 ILE HG12 . . 3.870 2.228 2.024 3.881 0.011 12 0 "[ . 1 . 2]" 1
23 1 4 ILE H 1 4 ILE HG13 . . 4.610 3.668 3.562 4.511 . 0 0 "[ . 1 . 2]" 1
24 1 4 ILE H 1 4 ILE MG . . 3.920 3.684 2.949 3.767 . 0 0 "[ . 1 . 2]" 1
25 1 4 ILE H 1 5 ASP H . . 3.450 2.806 2.724 2.841 . 0 0 "[ . 1 . 2]" 1
26 1 4 ILE HA 1 4 ILE MD . . 3.500 1.968 1.949 2.119 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE HA 1 4 ILE HG12 . . 3.870 3.019 2.392 3.105 . 0 0 "[ . 1 . 2]" 1
28 1 4 ILE HA 1 4 ILE HG13 . . 4.040 3.681 3.540 3.702 . 0 0 "[ . 1 . 2]" 1
29 1 4 ILE HA 1 4 ILE MG . . 3.460 2.436 2.348 3.097 . 0 0 "[ . 1 . 2]" 1
30 1 4 ILE HA 1 6 ASP H . . 5.100 3.893 3.804 4.229 . 0 0 "[ . 1 . 2]" 1
31 1 4 ILE HA 1 7 ALA H . . 3.960 3.403 3.340 3.482 . 0 0 "[ . 1 . 2]" 1
32 1 4 ILE HA 1 7 ALA MB . . 3.780 3.109 2.870 3.252 . 0 0 "[ . 1 . 2]" 1
33 1 4 ILE HA 1 8 PHE H . . 5.000 5.006 4.988 5.023 0.023 6 0 "[ . 1 . 2]" 1
34 1 4 ILE HB 1 4 ILE MD . . 3.410 3.223 3.216 3.230 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE HB 1 4 ILE HG12 . . 3.010 2.432 2.425 2.436 . 0 0 "[ . 1 . 2]" 1
36 1 4 ILE HB 1 5 ASP H . . 3.850 2.756 2.556 3.663 . 0 0 "[ . 1 . 2]" 1
37 1 4 ILE MD 1 4 ILE MG . . 2.970 2.064 1.917 2.150 . 0 0 "[ . 1 . 2]" 1
38 1 4 ILE MD 1 5 ASP H . . 6.000 4.558 4.166 4.630 . 0 0 "[ . 1 . 2]" 1
39 1 4 ILE MD 1 7 ALA H . . 4.740 4.630 3.469 4.783 0.043 9 0 "[ . 1 . 2]" 1
40 1 4 ILE MD 1 7 ALA MB . . 4.170 3.502 2.087 3.732 . 0 0 "[ . 1 . 2]" 1
41 1 4 ILE HG12 1 5 ASP H . . 5.370 4.333 4.190 5.198 . 0 0 "[ . 1 . 2]" 1
42 1 4 ILE MG 1 5 ASP H . . 3.630 3.387 2.295 3.618 . 0 0 "[ . 1 . 2]" 1
43 1 4 ILE MG 1 5 ASP HA . . 4.160 3.523 2.892 3.672 . 0 0 "[ . 1 . 2]" 1
44 1 4 ILE MG 1 7 ALA H . . 4.630 3.928 3.683 4.572 . 0 0 "[ . 1 . 2]" 1
45 1 4 ILE MG 1 7 ALA MB . . 4.060 2.967 2.737 3.991 . 0 0 "[ . 1 . 2]" 1
46 1 4 ILE MG 1 8 PHE H . . 4.520 3.933 3.647 4.366 . 0 0 "[ . 1 . 2]" 1
47 1 5 ASP H 1 5 ASP QB . . 3.440 2.194 2.045 2.636 . 0 0 "[ . 1 . 2]" 1
48 1 5 ASP HA 1 8 PHE H . . 3.430 3.440 3.429 3.460 0.030 18 0 "[ . 1 . 2]" 1
49 1 5 ASP HA 1 8 PHE HB2 . . 3.530 3.341 3.196 3.539 0.009 12 0 "[ . 1 . 2]" 1
50 1 5 ASP HA 1 8 PHE HB3 . . 5.170 4.871 4.751 4.962 . 0 0 "[ . 1 . 2]" 1
51 1 5 ASP HA 1 8 PHE QE . . 3.790 3.320 2.965 3.659 . 0 0 "[ . 1 . 2]" 1
52 1 5 ASP HA 1 9 ARG H . . 4.770 4.359 4.153 4.756 . 0 0 "[ . 1 . 2]" 1
53 1 5 ASP QB 1 8 PHE H . . 5.250 5.035 4.841 5.228 . 0 0 "[ . 1 . 2]" 1
54 1 6 ASP H 1 6 ASP HB2 . . 3.360 2.290 2.153 2.458 . 0 0 "[ . 1 . 2]" 1
55 1 6 ASP H 1 6 ASP HB3 . . 3.360 2.813 2.611 3.009 . 0 0 "[ . 1 . 2]" 1
56 1 6 ASP H 1 7 ALA H . . 3.330 2.635 2.585 2.729 . 0 0 "[ . 1 . 2]" 1
57 1 6 ASP H 1 7 ALA HA . . 5.500 5.239 5.189 5.320 . 0 0 "[ . 1 . 2]" 1
58 1 6 ASP H 1 7 ALA MB . . 4.490 4.268 4.156 4.354 . 0 0 "[ . 1 . 2]" 1
59 1 6 ASP H 1 8 PHE H . . 4.820 4.438 4.261 4.639 . 0 0 "[ . 1 . 2]" 1
60 1 6 ASP H 1 9 ARG QD . . 5.170 4.610 3.857 5.139 . 0 0 "[ . 1 . 2]" 1
61 1 6 ASP HA 1 8 PHE H . . 5.000 4.640 4.376 4.924 . 0 0 "[ . 1 . 2]" 1
62 1 6 ASP HA 1 9 ARG H . . 4.000 3.544 3.323 3.916 . 0 0 "[ . 1 . 2]" 1
63 1 6 ASP HA 1 9 ARG QB . . 3.710 2.750 2.372 3.779 0.069 9 0 "[ . 1 . 2]" 1
64 1 6 ASP HA 1 9 ARG QD . . 3.610 2.789 2.021 3.571 . 0 0 "[ . 1 . 2]" 1
65 1 6 ASP HA 1 9 ARG QG . . 3.840 3.405 2.101 3.828 . 0 0 "[ . 1 . 2]" 1
66 1 6 ASP QB 1 7 ALA H . . 4.150 2.767 2.633 2.976 . 0 0 "[ . 1 . 2]" 1
67 1 6 ASP QB 1 7 ALA HA . . 4.670 3.966 3.848 4.081 . 0 0 "[ . 1 . 2]" 1
68 1 6 ASP HB2 1 7 ALA H . . 4.800 3.777 3.588 3.946 . 0 0 "[ . 1 . 2]" 1
69 1 6 ASP HB3 1 7 ALA H . . 4.800 2.850 2.679 3.110 . 0 0 "[ . 1 . 2]" 1
70 1 7 ALA H 1 7 ALA MB . . 3.120 2.162 2.032 2.236 . 0 0 "[ . 1 . 2]" 1
71 1 7 ALA H 1 8 PHE H . . 3.500 2.696 2.614 2.780 . 0 0 "[ . 1 . 2]" 1
72 1 7 ALA H 1 8 PHE HB2 . . 5.180 4.995 4.744 5.110 . 0 0 "[ . 1 . 2]" 1
73 1 7 ALA H 1 9 ARG H . . 4.710 3.957 3.840 4.068 . 0 0 "[ . 1 . 2]" 1
74 1 7 ALA HA 1 8 PHE H . . 4.500 3.558 3.541 3.569 . 0 0 "[ . 1 . 2]" 1
75 1 7 ALA HA 1 9 ARG H . . 4.500 4.281 4.047 4.554 0.054 9 0 "[ . 1 . 2]" 1
76 1 7 ALA HA 1 11 ILE H . . 4.500 4.316 4.130 4.524 0.024 12 0 "[ . 1 . 2]" 1
77 1 7 ALA MB 1 8 PHE H . . 3.460 2.442 2.257 2.622 . 0 0 "[ . 1 . 2]" 1
78 1 7 ALA MB 1 10 ALA MB . . 4.510 4.000 3.799 4.146 . 0 0 "[ . 1 . 2]" 1
79 1 7 ALA MB 1 11 ILE H . . 4.990 4.760 4.634 4.924 . 0 0 "[ . 1 . 2]" 1
80 1 7 ALA MB 1 11 ILE MD . . 4.330 4.205 3.653 4.345 0.015 19 0 "[ . 1 . 2]" 1
81 1 7 ALA MB 1 61 LEU QD . . 6.000 4.922 4.392 5.679 . 0 0 "[ . 1 . 2]" 1
82 1 8 PHE H 1 8 PHE HB2 . . 3.400 2.668 2.577 2.701 . 0 0 "[ . 1 . 2]" 1
83 1 8 PHE H 1 8 PHE HB3 . . 3.600 3.587 3.578 3.601 0.001 13 0 "[ . 1 . 2]" 1
84 1 8 PHE H 1 8 PHE QE . . 4.370 4.220 4.148 4.357 . 0 0 "[ . 1 . 2]" 1
85 1 8 PHE H 1 9 ARG H . . 3.480 2.662 2.488 2.884 . 0 0 "[ . 1 . 2]" 1
86 1 8 PHE H 1 9 ARG QB . . 5.340 4.649 4.416 5.035 . 0 0 "[ . 1 . 2]" 1
87 1 8 PHE H 1 10 ALA H . . 4.660 4.107 3.968 4.499 . 0 0 "[ . 1 . 2]" 1
88 1 8 PHE HA 1 8 PHE QE . . 4.490 4.473 4.390 4.519 0.029 14 0 "[ . 1 . 2]" 1
89 1 8 PHE HA 1 9 ARG H . . 4.500 3.506 3.494 3.554 . 0 0 "[ . 1 . 2]" 1
90 1 8 PHE HA 1 11 ILE H . . 4.300 3.475 3.246 3.537 . 0 0 "[ . 1 . 2]" 1
91 1 8 PHE HA 1 11 ILE HB . . 3.960 2.828 2.712 3.195 . 0 0 "[ . 1 . 2]" 1
92 1 8 PHE HA 1 11 ILE MD . . 4.250 3.739 2.138 4.252 0.002 9 0 "[ . 1 . 2]" 1
93 1 8 PHE HA 1 11 ILE MG . . 4.050 3.386 2.968 4.123 0.073 16 0 "[ . 1 . 2]" 1
94 1 8 PHE HB2 1 9 ARG H . . 3.550 2.755 2.441 2.828 . 0 0 "[ . 1 . 2]" 1
95 1 8 PHE HB2 1 10 ALA H . . 5.480 5.029 4.835 5.301 . 0 0 "[ . 1 . 2]" 1
96 1 8 PHE HB2 1 11 ILE HB . . 5.500 5.505 5.286 5.570 0.070 17 0 "[ . 1 . 2]" 1
97 1 8 PHE HB3 1 9 ARG H . . 4.020 3.905 3.596 3.991 . 0 0 "[ . 1 . 2]" 1
98 1 8 PHE HB3 1 9 ARG HA . . 5.200 4.658 4.462 4.734 . 0 0 "[ . 1 . 2]" 1
99 1 8 PHE HB3 1 11 ILE HB . . 5.020 4.676 4.223 4.851 . 0 0 "[ . 1 . 2]" 1
100 1 8 PHE QD 1 61 LEU QD . . 6.000 5.991 5.732 6.026 0.026 16 0 "[ . 1 . 2]" 1
101 1 8 PHE QE 1 60 VAL QG . . 6.000 2.430 1.928 2.843 . 0 0 "[ . 1 . 2]" 1
102 1 9 ARG H 1 9 ARG QB . . 3.260 2.336 2.243 2.455 . 0 0 "[ . 1 . 2]" 1
103 1 9 ARG H 1 9 ARG QD . . 4.710 3.874 3.438 4.175 . 0 0 "[ . 1 . 2]" 1
104 1 9 ARG H 1 9 ARG HG2 . . 3.860 3.500 2.204 3.832 . 0 0 "[ . 1 . 2]" 1
105 1 9 ARG H 1 9 ARG QG . . 3.160 2.489 2.173 2.742 . 0 0 "[ . 1 . 2]" 1
106 1 9 ARG H 1 9 ARG HG3 . . 3.860 2.700 2.296 3.391 . 0 0 "[ . 1 . 2]" 1
107 1 9 ARG H 1 10 ALA H . . 3.390 2.505 2.424 2.699 . 0 0 "[ . 1 . 2]" 1
108 1 9 ARG H 1 10 ALA MB . . 4.480 4.148 4.039 4.318 . 0 0 "[ . 1 . 2]" 1
109 1 9 ARG HA 1 9 ARG QG . . 3.330 2.505 2.264 3.344 0.014 16 0 "[ . 1 . 2]" 1
110 1 9 ARG HA 1 10 ALA H . . 4.500 3.507 3.490 3.552 . 0 0 "[ . 1 . 2]" 1
111 1 9 ARG HA 1 11 ILE H . . 4.500 4.146 4.081 4.489 . 0 0 "[ . 1 . 2]" 1
112 1 9 ARG HA 1 12 GLU H . . 4.950 3.999 3.602 4.110 . 0 0 "[ . 1 . 2]" 1
113 1 9 ARG QB 1 9 ARG QD . . 3.050 2.184 2.074 2.392 . 0 0 "[ . 1 . 2]" 1
114 1 9 ARG QB 1 10 ALA H . . 3.320 2.842 2.484 3.473 0.153 16 0 "[ . 1 . 2]" 1
115 1 9 ARG QB 1 11 ILE H . . 5.340 4.662 4.495 5.076 . 0 0 "[ . 1 . 2]" 1
116 1 9 ARG HB2 1 10 ALA H . . 3.970 2.975 2.559 3.875 . 0 0 "[ . 1 . 2]" 1
117 1 9 ARG HB3 1 10 ALA H . . 3.970 3.704 3.359 3.956 . 0 0 "[ . 1 . 2]" 1
118 1 9 ARG QG 1 10 ALA H . . 5.080 3.926 2.161 4.315 . 0 0 "[ . 1 . 2]" 1
119 1 10 ALA H 1 10 ALA MB . . 2.910 2.119 2.059 2.231 . 0 0 "[ . 1 . 2]" 1
120 1 10 ALA H 1 11 ILE H . . 3.490 2.476 2.447 2.669 . 0 0 "[ . 1 . 2]" 1
121 1 10 ALA HA 1 12 GLU H . . 4.540 3.813 3.634 4.451 . 0 0 "[ . 1 . 2]" 1
122 1 10 ALA HA 1 13 ARG H . . 3.960 3.494 3.299 3.647 . 0 0 "[ . 1 . 2]" 1
123 1 10 ALA HA 1 13 ARG HB2 . . 4.110 3.423 2.786 3.835 . 0 0 "[ . 1 . 2]" 1
124 1 10 ALA HA 1 13 ARG QD . . 4.360 4.135 3.790 4.317 . 0 0 "[ . 1 . 2]" 1
125 1 10 ALA MB 1 11 ILE H . . 3.520 2.878 2.716 2.949 . 0 0 "[ . 1 . 2]" 1
126 1 10 ALA MB 1 13 ARG H . . 4.940 4.292 4.186 4.571 . 0 0 "[ . 1 . 2]" 1
127 1 10 ALA MB 1 27 LEU QD . . 6.000 5.962 5.431 6.032 0.032 6 0 "[ . 1 . 2]" 1
128 1 11 ILE H 1 11 ILE HB . . 3.370 2.331 2.240 2.591 . 0 0 "[ . 1 . 2]" 1
129 1 11 ILE H 1 11 ILE MD . . 4.070 3.653 3.210 4.075 0.005 20 0 "[ . 1 . 2]" 1
130 1 11 ILE H 1 11 ILE QG . . 4.670 3.440 1.997 4.068 . 0 0 "[ . 1 . 2]" 1
131 1 11 ILE H 1 11 ILE MG . . 4.080 2.990 2.651 3.766 . 0 0 "[ . 1 . 2]" 1
132 1 11 ILE HA 1 11 ILE MD . . 4.570 2.552 1.962 3.790 . 0 0 "[ . 1 . 2]" 1
133 1 11 ILE HA 1 11 ILE QG . . 3.710 2.446 2.059 2.885 . 0 0 "[ . 1 . 2]" 1
134 1 11 ILE HA 1 11 ILE MG . . 3.460 2.943 2.397 3.169 . 0 0 "[ . 1 . 2]" 1
135 1 11 ILE HA 1 14 ALA H . . 4.090 3.202 3.025 3.445 . 0 0 "[ . 1 . 2]" 1
136 1 11 ILE HA 1 14 ALA MB . . 3.420 2.578 2.183 3.062 . 0 0 "[ . 1 . 2]" 1
137 1 11 ILE MD 1 27 LEU QD . . 6.000 2.571 2.067 4.364 . 0 0 "[ . 1 . 2]" 1
138 1 11 ILE MD 1 30 PHE QB . . 4.660 2.854 1.934 3.809 . 0 0 "[ . 1 . 2]" 1
139 1 11 ILE MD 1 64 ALA H . . 5.390 4.610 4.155 5.308 . 0 0 "[ . 1 . 2]" 1
140 1 11 ILE MD 1 64 ALA HA . . 4.370 3.031 2.228 3.840 . 0 0 "[ . 1 . 2]" 1
141 1 11 ILE MD 1 64 ALA MB . . 3.220 1.924 1.742 2.151 . 0 0 "[ . 1 . 2]" 1
142 1 11 ILE MD 1 65 GLU H . . 5.440 4.927 4.642 5.436 . 0 0 "[ . 1 . 2]" 1
143 1 11 ILE MD 1 65 GLU HA . . 5.380 4.907 4.424 5.429 0.049 18 0 "[ . 1 . 2]" 1
144 1 11 ILE MD 1 68 ALA MB . . 6.000 3.563 2.966 4.792 . 0 0 "[ . 1 . 2]" 1
145 1 11 ILE QG 1 64 ALA MB . . 4.230 3.154 2.059 3.763 . 0 0 "[ . 1 . 2]" 1
146 1 11 ILE MG 1 12 GLU H . . 3.910 2.467 2.093 3.497 . 0 0 "[ . 1 . 2]" 1
147 1 11 ILE MG 1 12 GLU HA . . 3.730 3.080 2.962 3.382 . 0 0 "[ . 1 . 2]" 1
148 1 11 ILE MG 1 14 ALA H . . 4.620 4.492 4.161 4.648 0.028 1 0 "[ . 1 . 2]" 1
149 1 11 ILE MG 1 14 ALA MB . . 4.360 3.845 2.857 4.290 . 0 0 "[ . 1 . 2]" 1
150 1 11 ILE MG 1 15 ILE H . . 4.630 4.255 3.638 4.607 . 0 0 "[ . 1 . 2]" 1
151 1 12 GLU H 1 12 GLU HB2 . . 3.800 2.285 2.072 2.620 . 0 0 "[ . 1 . 2]" 1
152 1 12 GLU H 1 12 GLU QB . . 3.170 2.163 2.047 2.250 . 0 0 "[ . 1 . 2]" 1
153 1 12 GLU H 1 12 GLU HB3 . . 3.800 2.861 2.431 3.514 . 0 0 "[ . 1 . 2]" 1
154 1 12 GLU H 1 12 GLU QG . . 4.480 3.771 2.808 3.997 . 0 0 "[ . 1 . 2]" 1
155 1 12 GLU H 1 13 ARG H . . 3.470 2.722 2.641 2.813 . 0 0 "[ . 1 . 2]" 1
156 1 12 GLU H 1 13 ARG HB2 . . 5.500 4.612 4.476 4.723 . 0 0 "[ . 1 . 2]" 1
157 1 12 GLU H 1 15 ILE MG . . 4.430 4.389 4.200 4.450 0.020 6 0 "[ . 1 . 2]" 1
158 1 12 GLU HA 1 12 GLU QG . . 3.590 2.333 2.177 2.505 . 0 0 "[ . 1 . 2]" 1
159 1 12 GLU HA 1 14 ALA H . . 4.560 4.211 3.941 4.549 . 0 0 "[ . 1 . 2]" 1
160 1 12 GLU HA 1 15 ILE HB . . 4.690 4.419 4.160 4.586 . 0 0 "[ . 1 . 2]" 1
161 1 12 GLU HA 1 15 ILE MG . . 4.040 2.267 1.931 2.445 . 0 0 "[ . 1 . 2]" 1
162 1 12 GLU HA 1 16 GLN H . . 4.490 4.244 3.820 4.514 0.024 18 0 "[ . 1 . 2]" 1
163 1 12 GLU HA 1 67 LEU QD . . 4.870 3.953 3.241 4.465 . 0 0 "[ . 1 . 2]" 1
164 1 12 GLU QB 1 13 ARG H . . 3.800 2.715 2.559 2.848 . 0 0 "[ . 1 . 2]" 1
165 1 12 GLU QG 1 13 ARG H . . 4.440 4.099 3.527 4.439 . 0 0 "[ . 1 . 2]" 1
166 1 12 GLU QG 1 15 ILE MG . . 3.790 3.128 2.748 3.744 . 0 0 "[ . 1 . 2]" 1
167 1 12 GLU HG2 1 15 ILE MG . . 4.330 3.553 3.050 4.208 . 0 0 "[ . 1 . 2]" 1
168 1 12 GLU HG3 1 15 ILE MG . . 4.330 3.618 2.795 4.328 . 0 0 "[ . 1 . 2]" 1
169 1 13 ARG H 1 13 ARG HB2 . . 3.090 2.123 2.084 2.225 . 0 0 "[ . 1 . 2]" 1
170 1 13 ARG H 1 13 ARG HB3 . . 3.140 3.098 2.935 3.155 0.015 12 0 "[ . 1 . 2]" 1
171 1 13 ARG H 1 13 ARG QD . . 3.690 3.431 3.162 3.675 . 0 0 "[ . 1 . 2]" 1
172 1 13 ARG H 1 14 ALA H . . 3.430 2.519 2.450 2.642 . 0 0 "[ . 1 . 2]" 1
173 1 13 ARG H 1 14 ALA MB . . 5.500 4.145 4.027 4.269 . 0 0 "[ . 1 . 2]" 1
174 1 13 ARG H 1 15 ILE H . . 4.660 4.414 4.330 4.485 . 0 0 "[ . 1 . 2]" 1
175 1 13 ARG H 1 15 ILE MG . . 4.370 4.242 4.115 4.379 0.009 1 0 "[ . 1 . 2]" 1
176 1 13 ARG HA 1 13 ARG QD . . 3.640 2.866 2.290 3.281 . 0 0 "[ . 1 . 2]" 1
177 1 13 ARG HA 1 15 ILE H . . 4.840 4.625 4.524 4.760 . 0 0 "[ . 1 . 2]" 1
178 1 13 ARG HA 1 16 GLN H . . 4.650 3.451 3.306 3.660 . 0 0 "[ . 1 . 2]" 1
179 1 13 ARG HA 1 16 GLN QB . . 3.250 2.271 2.112 2.466 . 0 0 "[ . 1 . 2]" 1
180 1 13 ARG HA 1 16 GLN QG . . 4.140 3.255 2.813 3.758 . 0 0 "[ . 1 . 2]" 1
181 1 13 ARG HB2 1 13 ARG QD . . 3.310 2.112 1.973 2.281 . 0 0 "[ . 1 . 2]" 1
182 1 13 ARG HB2 1 14 ALA H . . 3.720 3.476 3.284 3.669 . 0 0 "[ . 1 . 2]" 1
183 1 13 ARG HB3 1 14 ALA H . . 3.420 3.018 2.839 3.126 . 0 0 "[ . 1 . 2]" 1
184 1 13 ARG HB3 1 14 ALA HA . . 3.990 3.912 3.824 3.969 . 0 0 "[ . 1 . 2]" 1
185 1 13 ARG HB3 1 14 ALA MB . . 4.280 4.164 4.062 4.264 . 0 0 "[ . 1 . 2]" 1
186 1 14 ALA H 1 14 ALA MB . . 2.920 2.127 2.031 2.239 . 0 0 "[ . 1 . 2]" 1
187 1 14 ALA H 1 15 ILE H . . 3.420 2.747 2.617 2.894 . 0 0 "[ . 1 . 2]" 1
188 1 14 ALA H 1 15 ILE MG . . 3.870 3.763 3.598 3.881 0.011 6 0 "[ . 1 . 2]" 1
189 1 14 ALA HA 1 17 ALA H . . 4.380 3.779 3.593 3.930 . 0 0 "[ . 1 . 2]" 1
190 1 14 ALA HA 1 17 ALA MB . . 3.390 3.145 2.762 3.392 0.002 19 0 "[ . 1 . 2]" 1
191 1 14 ALA MB 1 15 ILE H . . 3.740 2.417 2.308 2.532 . 0 0 "[ . 1 . 2]" 1
192 1 14 ALA MB 1 15 ILE HA . . 4.560 3.732 3.658 3.804 . 0 0 "[ . 1 . 2]" 1
193 1 14 ALA MB 1 15 ILE HB . . 4.350 3.898 3.751 4.020 . 0 0 "[ . 1 . 2]" 1
194 1 14 ALA MB 1 15 ILE MG . . 3.860 3.772 3.649 3.868 0.008 19 0 "[ . 1 . 2]" 1
195 1 14 ALA MB 1 17 ALA H . . 4.800 4.627 4.508 4.744 . 0 0 "[ . 1 . 2]" 1
196 1 14 ALA MB 1 17 ALA MB . . 4.810 4.109 3.859 4.312 . 0 0 "[ . 1 . 2]" 1
197 1 14 ALA MB 1 67 LEU QD . . 6.000 3.177 2.940 3.417 . 0 0 "[ . 1 . 2]" 1
198 1 15 ILE H 1 15 ILE HB . . 3.560 2.597 2.549 2.650 . 0 0 "[ . 1 . 2]" 1
199 1 15 ILE H 1 15 ILE MD . . 4.360 4.292 4.200 4.349 . 0 0 "[ . 1 . 2]" 1
200 1 15 ILE H 1 15 ILE QG . . 4.240 3.995 3.981 4.014 . 0 0 "[ . 1 . 2]" 1
201 1 15 ILE H 1 15 ILE MG . . 3.860 1.964 1.912 2.032 . 0 0 "[ . 1 . 2]" 1
202 1 15 ILE H 1 16 GLN H . . 3.940 2.579 2.483 2.672 . 0 0 "[ . 1 . 2]" 1
203 1 15 ILE H 1 67 LEU QD . . 5.230 3.278 3.014 3.473 . 0 0 "[ . 1 . 2]" 1
204 1 15 ILE H 1 68 ALA HA . . 5.240 4.677 4.114 5.322 0.082 6 0 "[ . 1 . 2]" 1
205 1 15 ILE H 1 68 ALA MB . . 5.040 4.937 4.566 5.057 0.017 16 0 "[ . 1 . 2]" 1
206 1 15 ILE HA 1 15 ILE MD . . 4.280 3.112 2.819 3.472 . 0 0 "[ . 1 . 2]" 1
207 1 15 ILE HA 1 15 ILE HG12 . . 4.240 3.620 3.432 3.671 . 0 0 "[ . 1 . 2]" 1
208 1 15 ILE HA 1 15 ILE QG . . 3.670 2.366 2.276 2.407 . 0 0 "[ . 1 . 2]" 1
209 1 15 ILE HA 1 15 ILE HG13 . . 4.240 2.399 2.308 2.441 . 0 0 "[ . 1 . 2]" 1
210 1 15 ILE HA 1 15 ILE MG . . 3.650 3.201 3.199 3.202 . 0 0 "[ . 1 . 2]" 1
211 1 15 ILE HA 1 16 GLN QB . . 5.400 5.273 5.202 5.364 . 0 0 "[ . 1 . 2]" 1
212 1 15 ILE HA 1 18 GLU H . . 4.720 3.840 3.666 4.005 . 0 0 "[ . 1 . 2]" 1
213 1 15 ILE HB 1 15 ILE MD . . 3.370 2.074 1.990 2.205 . 0 0 "[ . 1 . 2]" 1
214 1 15 ILE HB 1 16 GLN H . . 4.140 3.977 3.965 4.006 . 0 0 "[ . 1 . 2]" 1
215 1 15 ILE HB 1 67 LEU QD . . 3.960 1.941 1.874 2.051 . 0 0 "[ . 1 . 2]" 1
216 1 15 ILE HB 1 67 LEU HG . . 4.800 4.556 4.335 4.719 . 0 0 "[ . 1 . 2]" 1
217 1 15 ILE HB 1 68 ALA HA . . 4.290 3.806 3.351 4.356 0.066 17 0 "[ . 1 . 2]" 1
218 1 15 ILE MD 1 15 ILE MG . . 3.020 2.786 2.479 2.926 . 0 0 "[ . 1 . 2]" 1
219 1 15 ILE MD 1 16 GLN H . . 5.160 4.967 4.912 5.009 . 0 0 "[ . 1 . 2]" 1
220 1 15 ILE MD 1 67 LEU QD . . 6.000 1.976 1.793 2.396 . 0 0 "[ . 1 . 2]" 1
221 1 15 ILE MD 1 67 LEU HG . . 4.090 4.098 4.031 4.125 0.035 6 0 "[ . 1 . 2]" 1
222 1 15 ILE MD 1 68 ALA HA . . 4.310 3.668 3.298 4.179 . 0 0 "[ . 1 . 2]" 1
223 1 15 ILE MD 1 68 ALA MB . . 6.000 4.669 4.345 5.036 . 0 0 "[ . 1 . 2]" 1
224 1 15 ILE MD 1 71 ILE MD . . 6.000 5.233 4.557 6.012 0.012 17 0 "[ . 1 . 2]" 1
225 1 15 ILE QG 1 15 ILE MG . . 3.190 2.102 2.092 2.148 . 0 0 "[ . 1 . 2]" 1
226 1 15 ILE QG 1 16 GLN H . . 4.340 3.766 3.657 3.863 . 0 0 "[ . 1 . 2]" 1
227 1 15 ILE QG 1 17 ALA H . . 4.740 4.739 4.636 4.778 0.038 13 0 "[ . 1 . 2]" 1
228 1 15 ILE QG 1 67 LEU QD . . 4.140 3.432 3.228 3.590 . 0 0 "[ . 1 . 2]" 1
229 1 15 ILE MG 1 16 GLN H . . 4.020 2.140 2.082 2.183 . 0 0 "[ . 1 . 2]" 1
230 1 15 ILE MG 1 16 GLN HA . . 3.280 3.164 3.068 3.261 . 0 0 "[ . 1 . 2]" 1
231 1 15 ILE MG 1 16 GLN QB . . 3.990 3.457 3.304 3.576 . 0 0 "[ . 1 . 2]" 1
232 1 15 ILE MG 1 16 GLN HG2 . . 4.180 3.010 2.374 3.758 . 0 0 "[ . 1 . 2]" 1
233 1 15 ILE MG 1 16 GLN QG . . 3.660 2.788 2.353 3.254 . 0 0 "[ . 1 . 2]" 1
234 1 15 ILE MG 1 16 GLN HG3 . . 4.180 3.650 2.508 4.182 0.002 14 0 "[ . 1 . 2]" 1
235 1 15 ILE MG 1 17 ALA H . . 4.230 4.179 4.141 4.208 . 0 0 "[ . 1 . 2]" 1
236 1 15 ILE MG 1 18 GLU H . . 5.500 5.272 4.951 5.474 . 0 0 "[ . 1 . 2]" 1
237 1 15 ILE MG 1 67 LEU QD . . 6.000 2.775 2.326 2.956 . 0 0 "[ . 1 . 2]" 1
238 1 15 ILE MG 1 68 ALA MB . . 6.000 5.455 5.235 5.685 . 0 0 "[ . 1 . 2]" 1
239 1 15 ILE MG 1 71 ILE MG . . 6.000 4.602 4.156 5.888 . 0 0 "[ . 1 . 2]" 1
240 1 16 GLN H 1 16 GLN QB . . 3.390 2.163 2.053 2.294 . 0 0 "[ . 1 . 2]" 1
241 1 16 GLN H 1 16 GLN HG2 . . 3.900 3.194 2.540 3.862 . 0 0 "[ . 1 . 2]" 1
242 1 16 GLN H 1 16 GLN HG3 . . 3.900 3.490 2.707 3.813 . 0 0 "[ . 1 . 2]" 1
243 1 16 GLN H 1 17 ALA H . . 3.540 2.641 2.598 2.702 . 0 0 "[ . 1 . 2]" 1
244 1 16 GLN H 1 17 ALA MB . . 4.350 4.269 4.169 4.336 . 0 0 "[ . 1 . 2]" 1
245 1 16 GLN H 1 18 GLU QG . . 5.430 4.921 4.698 5.418 . 0 0 "[ . 1 . 2]" 1
246 1 16 GLN HA 1 16 GLN QG . . 3.210 2.263 2.014 2.673 . 0 0 "[ . 1 . 2]" 1
247 1 16 GLN QB 1 17 ALA H . . 3.760 2.995 2.957 3.039 . 0 0 "[ . 1 . 2]" 1
248 1 16 GLN QB 1 17 ALA HA . . 4.610 3.933 3.892 3.969 . 0 0 "[ . 1 . 2]" 1
249 1 16 GLN QB 1 17 ALA MB . . 4.330 4.213 4.097 4.290 . 0 0 "[ . 1 . 2]" 1
250 1 16 GLN QG 1 17 ALA H . . 4.890 4.498 4.375 4.600 . 0 0 "[ . 1 . 2]" 1
251 1 17 ALA H 1 17 ALA MB . . 3.140 2.151 2.029 2.236 . 0 0 "[ . 1 . 2]" 1
252 1 17 ALA H 1 18 GLU H . . 3.720 2.888 2.764 2.996 . 0 0 "[ . 1 . 2]" 1
253 1 17 ALA HA 1 18 GLU HB2 . . 4.590 4.489 4.198 4.648 0.058 17 0 "[ . 1 . 2]" 1
254 1 17 ALA MB 1 18 GLU H . . 3.690 2.406 2.160 2.782 . 0 0 "[ . 1 . 2]" 1
255 1 17 ALA MB 1 18 GLU QG . . 4.740 4.299 4.100 4.746 0.006 12 0 "[ . 1 . 2]" 1
256 1 17 ALA MB 1 19 ASN H . . 4.410 3.027 2.063 4.414 0.004 15 0 "[ . 1 . 2]" 1
257 1 17 ALA MB 1 67 LEU QD . . 6.000 5.964 5.756 6.060 0.060 13 0 "[ . 1 . 2]" 1
258 1 17 ALA MB 1 71 ILE MG . . 4.450 3.252 2.238 4.458 0.008 6 0 "[ . 1 . 2]" 1
259 1 17 ALA MB 1 72 LEU QD . . 6.000 5.880 5.260 6.294 0.294 18 0 "[ . 1 . 2]" 1
260 1 18 GLU H 1 18 GLU HB2 . . 3.710 3.551 3.304 3.690 . 0 0 "[ . 1 . 2]" 1
261 1 18 GLU H 1 18 GLU HB3 . . 4.130 4.035 3.985 4.091 . 0 0 "[ . 1 . 2]" 1
262 1 18 GLU H 1 18 GLU QG . . 4.160 2.656 2.537 3.023 . 0 0 "[ . 1 . 2]" 1
263 1 18 GLU H 1 19 ASN H . . 4.490 2.935 2.630 3.666 . 0 0 "[ . 1 . 2]" 1
264 1 18 GLU H 1 71 ILE HG12 . . 5.500 5.246 4.363 5.514 0.014 18 0 "[ . 1 . 2]" 1
265 1 18 GLU H 1 71 ILE MG . . 4.560 2.307 1.847 3.847 . 0 0 "[ . 1 . 2]" 1
266 1 18 GLU HA 1 18 GLU QG . . 3.670 2.521 2.290 2.937 . 0 0 "[ . 1 . 2]" 1
267 1 18 GLU HA 1 19 ASN H . . 3.030 2.635 2.153 3.094 0.064 13 0 "[ . 1 . 2]" 1
268 1 18 GLU HA 1 19 ASN HA . . 4.770 4.446 4.300 4.709 . 0 0 "[ . 1 . 2]" 1
269 1 18 GLU HA 1 19 ASN HB2 . . 5.500 4.734 4.000 5.797 0.297 17 0 "[ . 1 . 2]" 1
270 1 18 GLU HA 1 19 ASN QB . . 4.720 4.379 3.795 4.867 0.147 17 0 "[ . 1 . 2]" 1
271 1 18 GLU HA 1 19 ASN HB3 . . 5.500 5.223 4.636 5.592 0.092 15 0 "[ . 1 . 2]" 1
272 1 18 GLU HA 1 71 ILE MG . . 4.880 2.201 1.917 2.939 . 0 0 "[ . 1 . 2]" 1
273 1 18 GLU HB2 1 19 ASN H . . 4.380 4.291 3.854 4.492 0.112 17 0 "[ . 1 . 2]" 1
274 1 18 GLU HB3 1 19 ASN H . . 4.550 4.314 3.688 4.511 . 0 0 "[ . 1 . 2]" 1
275 1 18 GLU HB3 1 71 ILE MG . . 4.710 4.139 3.416 4.728 0.018 6 0 "[ . 1 . 2]" 1
276 1 18 GLU QG 1 19 ASN H . . 5.070 4.518 4.372 4.725 . 0 0 "[ . 1 . 2]" 1
277 1 18 GLU QG 1 71 ILE MG . . 4.210 3.218 2.031 4.237 0.027 18 0 "[ . 1 . 2]" 1
278 1 19 ASN H 1 19 ASN HB2 . . 3.870 3.230 2.731 3.787 . 0 0 "[ . 1 . 2]" 1
279 1 19 ASN H 1 19 ASN QB . . 3.250 2.876 2.317 3.416 0.166 15 0 "[ . 1 . 2]" 1
280 1 19 ASN H 1 19 ASN HB3 . . 3.870 3.320 2.504 3.886 0.016 15 0 "[ . 1 . 2]" 1
281 1 19 ASN H 1 20 GLU QG . . 5.500 4.855 3.123 5.516 0.016 2 0 "[ . 1 . 2]" 1
282 1 19 ASN H 1 71 ILE HB . . 4.170 2.877 1.948 4.185 0.015 6 0 "[ . 1 . 2]" 1
283 1 19 ASN H 1 71 ILE MD . . 4.630 2.784 1.929 4.025 . 0 0 "[ . 1 . 2]" 1
284 1 19 ASN H 1 71 ILE MG . . 4.110 2.751 1.938 3.771 . 0 0 "[ . 1 . 2]" 1
285 1 19 ASN HA 1 20 GLU QG . . 4.650 3.859 3.213 4.647 . 0 0 "[ . 1 . 2]" 1
286 1 19 ASN QB 1 20 GLU HA . . 5.340 4.351 4.036 4.829 . 0 0 "[ . 1 . 2]" 1
287 1 19 ASN QD 1 20 GLU H . . 4.790 3.409 2.000 4.558 . 0 0 "[ . 1 . 2]" 1
288 1 20 GLU H 1 20 GLU QG . . 3.720 2.807 1.999 3.750 0.030 15 0 "[ . 1 . 2]" 1
289 1 20 GLU H 1 21 GLY HA2 . . 5.240 4.637 3.850 5.283 0.043 18 0 "[ . 1 . 2]" 1
290 1 20 GLU H 1 21 GLY QA . . 4.580 4.021 3.623 4.533 . 0 0 "[ . 1 . 2]" 1
291 1 20 GLU H 1 21 GLY HA3 . . 5.240 4.515 4.115 5.441 0.201 15 0 "[ . 1 . 2]" 1
292 1 20 GLU HA 1 20 GLU QG . . 3.620 2.910 2.125 3.424 . 0 0 "[ . 1 . 2]" 1
293 1 20 GLU QB 1 21 GLY H . . 4.370 3.257 2.015 4.022 . 0 0 "[ . 1 . 2]" 1
294 1 20 GLU QG 1 21 GLY H . . 4.480 4.114 1.895 4.486 0.006 11 0 "[ . 1 . 2]" 1
295 1 22 ARG HA 1 22 ARG QG . . 3.570 2.695 2.139 3.350 . 0 0 "[ . 1 . 2]" 1
296 1 22 ARG HA 1 24 ARG H . . 4.660 3.717 3.531 4.242 . 0 0 "[ . 1 . 2]" 1
297 1 22 ARG HA 1 25 GLU H . . 4.400 3.225 3.059 3.577 . 0 0 "[ . 1 . 2]" 1
298 1 22 ARG HA 1 25 GLU QB . . 3.890 3.418 2.569 3.926 0.036 1 0 "[ . 1 . 2]" 1
299 1 22 ARG HA 1 25 GLU QG . . 4.030 3.122 1.984 4.025 . 0 0 "[ . 1 . 2]" 1
300 1 22 ARG HA 1 26 ALA H . . 4.500 4.398 4.167 4.555 0.055 15 0 "[ . 1 . 2]" 1
301 1 22 ARG QB 1 22 ARG QD . . 3.350 2.106 1.941 2.399 . 0 0 "[ . 1 . 2]" 1
302 1 22 ARG QB 1 23 TYR H . . 3.710 3.192 2.625 3.679 . 0 0 "[ . 1 . 2]" 1
303 1 22 ARG QD 1 23 TYR H . . 4.630 4.370 3.617 4.664 0.034 4 0 "[ . 1 . 2]" 1
304 1 22 ARG HE 1 22 ARG QG . . 3.330 2.515 2.067 3.248 . 0 0 "[ . 1 . 2]" 1
305 1 23 TYR H 1 23 TYR HB2 . . 4.020 3.271 2.112 3.591 . 0 0 "[ . 1 . 2]" 1
306 1 23 TYR H 1 23 TYR QB . . 3.450 2.327 2.093 2.637 . 0 0 "[ . 1 . 2]" 1
307 1 23 TYR H 1 23 TYR HB3 . . 4.020 2.642 2.216 3.581 . 0 0 "[ . 1 . 2]" 1
308 1 23 TYR H 1 23 TYR QD . . 3.810 2.203 1.945 2.857 . 0 0 "[ . 1 . 2]" 1
309 1 23 TYR H 1 23 TYR QE . . 5.060 4.347 3.945 5.082 0.022 6 0 "[ . 1 . 2]" 1
310 1 23 TYR H 1 24 ARG H . . 3.460 2.766 2.493 2.904 . 0 0 "[ . 1 . 2]" 1
311 1 23 TYR H 1 24 ARG HA . . 5.500 5.343 5.123 5.452 . 0 0 "[ . 1 . 2]" 1
312 1 23 TYR H 1 71 ILE MD . . 4.680 4.053 3.086 4.690 0.010 1 0 "[ . 1 . 2]" 1
313 1 23 TYR HA 1 23 TYR QD . . 3.780 3.498 2.531 3.741 . 0 0 "[ . 1 . 2]" 1
314 1 23 TYR HA 1 26 ALA H . . 3.500 3.360 3.210 3.503 0.003 19 0 "[ . 1 . 2]" 1
315 1 23 TYR HA 1 26 ALA MB . . 3.720 2.342 1.951 2.706 . 0 0 "[ . 1 . 2]" 1
316 1 23 TYR HA 1 27 LEU H . . 4.500 4.136 3.643 4.510 0.010 1 0 "[ . 1 . 2]" 1
317 1 23 TYR HA 1 71 ILE MD . . 4.660 4.371 3.791 4.679 0.019 13 0 "[ . 1 . 2]" 1
318 1 23 TYR QB 1 24 ARG H . . 4.020 3.338 2.504 3.554 . 0 0 "[ . 1 . 2]" 1
319 1 23 TYR QB 1 25 GLU H . . 5.340 5.167 4.566 5.371 0.031 12 0 "[ . 1 . 2]" 1
320 1 23 TYR QB 1 26 ALA H . . 5.340 4.825 4.670 5.052 . 0 0 "[ . 1 . 2]" 1
321 1 23 TYR QB 1 71 ILE MD . . 3.600 2.223 1.870 2.552 . 0 0 "[ . 1 . 2]" 1
322 1 23 TYR QB 1 71 ILE HG12 . . 5.030 4.077 3.161 4.880 . 0 0 "[ . 1 . 2]" 1
323 1 23 TYR QB 1 71 ILE MG . . 4.220 3.940 3.555 4.455 0.235 18 0 "[ . 1 . 2]" 1
324 1 23 TYR HB2 1 71 ILE MD . . 4.180 2.612 1.905 3.273 . 0 0 "[ . 1 . 2]" 1
325 1 23 TYR HB3 1 71 ILE MD . . 4.180 2.521 2.042 2.986 . 0 0 "[ . 1 . 2]" 1
326 1 23 TYR QD 1 26 ALA MB . . 5.150 4.682 3.661 5.175 0.025 20 0 "[ . 1 . 2]" 1
327 1 23 TYR QD 1 71 ILE MD . . 3.920 2.564 2.236 3.050 . 0 0 "[ . 1 . 2]" 1
328 1 23 TYR QD 1 71 ILE MG . . 4.890 4.498 3.352 4.900 0.010 2 0 "[ . 1 . 2]" 1
329 1 23 TYR QE 1 71 ILE MD . . 4.410 3.504 3.033 4.417 0.007 16 0 "[ . 1 . 2]" 1
330 1 23 TYR QE 1 71 ILE MG . . 6.000 5.217 2.219 6.013 0.013 11 0 "[ . 1 . 2]" 1
331 1 24 ARG H 1 24 ARG HB2 . . 3.650 3.197 2.464 3.605 . 0 0 "[ . 1 . 2]" 1
332 1 24 ARG H 1 24 ARG HB3 . . 3.650 2.554 2.367 2.720 . 0 0 "[ . 1 . 2]" 1
333 1 24 ARG H 1 24 ARG QD . . 4.430 4.054 3.852 4.300 . 0 0 "[ . 1 . 2]" 1
334 1 24 ARG H 1 24 ARG QG . . 4.210 2.858 1.936 4.039 . 0 0 "[ . 1 . 2]" 1
335 1 24 ARG H 1 25 GLU HA . . 5.500 5.259 5.115 5.470 . 0 0 "[ . 1 . 2]" 1
336 1 24 ARG HA 1 24 ARG QD . . 4.640 3.931 3.661 4.540 . 0 0 "[ . 1 . 2]" 1
337 1 24 ARG HA 1 24 ARG QG . . 3.940 3.007 2.354 3.431 . 0 0 "[ . 1 . 2]" 1
338 1 24 ARG HA 1 25 GLU H . . 4.500 3.539 3.484 3.569 . 0 0 "[ . 1 . 2]" 1
339 1 24 ARG HA 1 27 LEU H . . 4.580 3.798 3.429 4.118 . 0 0 "[ . 1 . 2]" 1
340 1 24 ARG HA 1 27 LEU HB2 . . 3.990 3.347 2.964 3.819 . 0 0 "[ . 1 . 2]" 1
341 1 24 ARG HA 1 27 LEU HB3 . . 5.430 4.970 4.585 5.440 0.010 16 0 "[ . 1 . 2]" 1
342 1 24 ARG QD 1 25 GLU H . . 3.950 2.920 2.502 3.982 0.032 7 0 "[ . 1 . 2]" 1
343 1 24 ARG QD 1 25 GLU HA . . 4.310 3.235 2.485 4.431 0.121 13 0 "[ . 1 . 2]" 1
344 1 24 ARG QD 1 25 GLU QB . . 4.330 3.239 2.520 4.325 . 0 0 "[ . 1 . 2]" 1
345 1 24 ARG QD 1 25 GLU QG . . 4.840 3.729 1.989 4.844 0.004 4 0 "[ . 1 . 2]" 1
346 1 24 ARG HE 1 25 GLU HA . . 4.480 3.401 2.105 4.486 0.006 6 0 "[ . 1 . 2]" 1
347 1 24 ARG HE 1 25 GLU HB2 . . 5.120 4.217 2.920 5.121 0.001 4 0 "[ . 1 . 2]" 1
348 1 24 ARG HE 1 25 GLU QB . . 4.510 3.328 1.940 4.389 . 0 0 "[ . 1 . 2]" 1
349 1 24 ARG HE 1 25 GLU HB3 . . 5.120 3.732 1.948 4.937 . 0 0 "[ . 1 . 2]" 1
350 1 24 ARG QG 1 25 GLU H . . 4.290 2.692 1.802 3.956 . 0 0 "[ . 1 . 2]" 1
351 1 24 ARG QG 1 25 GLU HA . . 4.260 4.056 3.692 4.264 0.004 4 0 "[ . 1 . 2]" 1
352 1 25 GLU H 1 25 GLU HB2 . . 3.700 3.113 2.100 3.614 . 0 0 "[ . 1 . 2]" 1
353 1 25 GLU H 1 25 GLU QB . . 3.210 2.325 2.074 2.536 . 0 0 "[ . 1 . 2]" 1
354 1 25 GLU H 1 25 GLU HB3 . . 3.700 2.775 2.261 3.610 . 0 0 "[ . 1 . 2]" 1
355 1 25 GLU H 1 25 GLU QG . . 3.670 2.648 2.112 3.517 . 0 0 "[ . 1 . 2]" 1
356 1 25 GLU H 1 26 ALA H . . 3.500 2.465 2.432 2.607 . 0 0 "[ . 1 . 2]" 1
357 1 25 GLU H 1 26 ALA MB . . 4.230 4.105 4.033 4.229 . 0 0 "[ . 1 . 2]" 1
358 1 25 GLU H 1 27 LEU H . . 4.500 4.280 4.170 4.500 0.000 9 0 "[ . 1 . 2]" 1
359 1 25 GLU H 1 28 LYS H . . 5.410 5.036 4.674 5.386 . 0 0 "[ . 1 . 2]" 1
360 1 25 GLU HA 1 26 ALA H . . 4.500 3.470 3.435 3.543 . 0 0 "[ . 1 . 2]" 1
361 1 25 GLU HA 1 28 LYS H . . 3.890 3.474 3.227 3.692 . 0 0 "[ . 1 . 2]" 1
362 1 25 GLU HA 1 28 LYS QB . . 4.110 2.699 2.426 3.090 . 0 0 "[ . 1 . 2]" 1
363 1 25 GLU HA 1 29 HIS H . . 5.500 5.266 4.390 5.529 0.029 1 0 "[ . 1 . 2]" 1
364 1 25 GLU QB 1 26 ALA H . . 3.730 3.307 2.656 3.647 . 0 0 "[ . 1 . 2]" 1
365 1 25 GLU HB2 1 26 ALA H . . 4.450 3.758 2.869 4.273 . 0 0 "[ . 1 . 2]" 1
366 1 25 GLU HB3 1 26 ALA H . . 4.450 3.756 3.037 4.098 . 0 0 "[ . 1 . 2]" 1
367 1 25 GLU QG 1 26 ALA H . . 4.730 3.033 2.165 4.535 . 0 0 "[ . 1 . 2]" 1
368 1 26 ALA H 1 26 ALA MB . . 3.140 2.158 2.045 2.256 . 0 0 "[ . 1 . 2]" 1
369 1 26 ALA H 1 27 LEU H . . 3.500 2.637 2.499 2.896 . 0 0 "[ . 1 . 2]" 1
370 1 26 ALA H 1 27 LEU HA . . 5.500 5.243 5.133 5.451 . 0 0 "[ . 1 . 2]" 1
371 1 26 ALA H 1 28 LYS H . . 4.500 3.983 3.799 4.265 . 0 0 "[ . 1 . 2]" 1
372 1 26 ALA HA 1 28 LYS H . . 4.500 4.088 3.877 4.395 . 0 0 "[ . 1 . 2]" 1
373 1 26 ALA HA 1 29 HIS H . . 4.310 3.762 3.475 3.963 . 0 0 "[ . 1 . 2]" 1
374 1 26 ALA HA 1 29 HIS QB . . 4.240 3.566 3.176 3.907 . 0 0 "[ . 1 . 2]" 1
375 1 26 ALA MB 1 27 LEU H . . 3.620 2.578 2.352 2.810 . 0 0 "[ . 1 . 2]" 1
376 1 26 ALA MB 1 27 LEU HG . . 4.410 3.699 3.420 4.162 . 0 0 "[ . 1 . 2]" 1
377 1 27 LEU H 1 27 LEU HB2 . . 4.010 2.252 2.141 2.385 . 0 0 "[ . 1 . 2]" 1
378 1 27 LEU H 1 27 LEU HB3 . . 4.170 3.525 3.462 3.573 . 0 0 "[ . 1 . 2]" 1
379 1 27 LEU H 1 27 LEU MD1 . . 4.230 3.745 3.463 3.856 . 0 0 "[ . 1 . 2]" 1
380 1 27 LEU H 1 27 LEU MD2 . . 4.230 3.709 3.326 4.019 . 0 0 "[ . 1 . 2]" 1
381 1 27 LEU H 1 27 LEU HG . . 3.530 2.749 2.458 3.074 . 0 0 "[ . 1 . 2]" 1
382 1 27 LEU H 1 28 LYS QB . . 4.530 4.305 4.146 4.431 . 0 0 "[ . 1 . 2]" 1
383 1 27 LEU HA 1 27 LEU MD1 . . 4.060 3.817 3.791 3.858 . 0 0 "[ . 1 . 2]" 1
384 1 27 LEU HA 1 27 LEU QD . . 3.130 2.067 1.949 2.297 . 0 0 "[ . 1 . 2]" 1
385 1 27 LEU HA 1 27 LEU MD2 . . 4.060 2.076 1.955 2.315 . 0 0 "[ . 1 . 2]" 1
386 1 27 LEU HA 1 28 LYS H . . 4.500 3.487 3.475 3.524 . 0 0 "[ . 1 . 2]" 1
387 1 27 LEU HA 1 30 PHE H . . 4.500 3.187 3.051 3.316 . 0 0 "[ . 1 . 2]" 1
388 1 27 LEU HA 1 30 PHE QB . . 4.210 2.876 2.312 3.198 . 0 0 "[ . 1 . 2]" 1
389 1 27 LEU HA 1 31 LEU H . . 4.500 4.265 3.780 4.517 0.017 17 0 "[ . 1 . 2]" 1
390 1 27 LEU HB2 1 29 HIS H . . 5.440 5.216 5.033 5.444 0.004 14 0 "[ . 1 . 2]" 1
391 1 27 LEU HB3 1 28 LYS H . . 5.220 3.589 3.273 3.787 . 0 0 "[ . 1 . 2]" 1
392 1 27 LEU HB3 1 65 GLU HG2 . . 5.200 3.741 3.178 4.139 . 0 0 "[ . 1 . 2]" 1
393 1 27 LEU HB3 1 65 GLU QG . . 4.320 3.640 3.117 3.986 . 0 0 "[ . 1 . 2]" 1
394 1 27 LEU HB3 1 65 GLU HG3 . . 5.200 5.003 4.505 5.203 0.003 6 0 "[ . 1 . 2]" 1
395 1 27 LEU QD 1 29 HIS H . . 5.440 5.149 4.918 5.445 0.005 2 0 "[ . 1 . 2]" 1
396 1 27 LEU QD 1 30 PHE H . . 4.910 4.247 3.962 4.559 . 0 0 "[ . 1 . 2]" 1
397 1 27 LEU QD 1 30 PHE QB . . 4.390 2.880 2.559 3.272 . 0 0 "[ . 1 . 2]" 1
398 1 27 LEU QD 1 31 LEU H . . 4.930 4.434 4.081 4.803 . 0 0 "[ . 1 . 2]" 1
399 1 27 LEU QD 1 60 VAL QG . . 6.000 5.925 5.258 6.028 0.028 12 0 "[ . 1 . 2]" 1
400 1 27 LEU QD 1 61 LEU QD . . 6.000 4.868 4.118 5.644 . 0 0 "[ . 1 . 2]" 1
401 1 27 LEU QD 1 64 ALA H . . 5.440 4.928 4.515 5.465 0.025 18 0 "[ . 1 . 2]" 1
402 1 27 LEU QD 1 65 GLU H . . 4.100 3.664 3.238 4.105 0.005 8 0 "[ . 1 . 2]" 1
403 1 27 LEU QD 1 65 GLU HA . . 3.990 2.083 1.835 2.451 . 0 0 "[ . 1 . 2]" 1
404 1 27 LEU QD 1 65 GLU QG . . 3.730 2.059 1.831 2.432 . 0 0 "[ . 1 . 2]" 1
405 1 27 LEU QD 1 66 HIS H . . 5.180 4.603 4.294 4.929 . 0 0 "[ . 1 . 2]" 1
406 1 27 LEU QD 1 67 LEU H . . 5.440 5.090 4.864 5.405 . 0 0 "[ . 1 . 2]" 1
407 1 27 LEU QD 1 67 LEU QB . . 6.000 5.586 5.360 5.873 . 0 0 "[ . 1 . 2]" 1
408 1 27 LEU QD 1 67 LEU QD . . 6.000 3.792 3.554 4.112 . 0 0 "[ . 1 . 2]" 1
409 1 27 LEU QD 1 67 LEU HG . . 6.000 4.244 3.954 4.584 . 0 0 "[ . 1 . 2]" 1
410 1 27 LEU QD 1 68 ALA H . . 4.170 3.666 3.487 3.951 . 0 0 "[ . 1 . 2]" 1
411 1 27 LEU QD 1 68 ALA HA . . 4.040 3.908 3.664 4.051 0.011 9 0 "[ . 1 . 2]" 1
412 1 27 LEU QD 1 68 ALA MB . . 6.000 1.800 1.647 1.971 . 0 0 "[ . 1 . 2]" 1
413 1 27 LEU MD1 1 68 ALA HA . . 4.740 4.407 4.114 4.740 0.000 14 0 "[ . 1 . 2]" 1
414 1 27 LEU MD1 1 68 ALA MB . . 3.200 1.984 1.798 2.375 . 0 0 "[ . 1 . 2]" 1
415 1 27 LEU MD1 1 69 GLU H . . 5.230 4.363 3.677 4.802 . 0 0 "[ . 1 . 2]" 1
416 1 27 LEU MD2 1 68 ALA HA . . 4.740 4.394 4.015 4.747 0.007 12 0 "[ . 1 . 2]" 1
417 1 27 LEU MD2 1 68 ALA MB . . 3.200 2.110 1.883 2.365 . 0 0 "[ . 1 . 2]" 1
418 1 27 LEU MD2 1 69 GLU H . . 5.230 5.151 4.555 5.252 0.022 17 0 "[ . 1 . 2]" 1
419 1 27 LEU HG 1 68 ALA MB . . 3.880 2.671 2.346 3.046 . 0 0 "[ . 1 . 2]" 1
420 1 28 LYS H 1 28 LYS HB2 . . 3.420 2.136 2.063 2.320 . 0 0 "[ . 1 . 2]" 1
421 1 28 LYS H 1 28 LYS HB3 . . 3.420 3.051 2.752 3.319 . 0 0 "[ . 1 . 2]" 1
422 1 28 LYS H 1 28 LYS QG . . 3.900 3.710 3.331 3.909 0.009 19 0 "[ . 1 . 2]" 1
423 1 28 LYS H 1 29 HIS H . . 3.500 2.767 2.600 2.880 . 0 0 "[ . 1 . 2]" 1
424 1 28 LYS H 1 31 LEU H . . 5.060 4.847 4.682 5.105 0.045 16 0 "[ . 1 . 2]" 1
425 1 28 LYS H 1 31 LEU QD . . 4.770 4.313 3.291 4.776 0.006 1 0 "[ . 1 . 2]" 1
426 1 28 LYS HA 1 28 LYS QD . . 4.440 3.650 2.273 4.047 . 0 0 "[ . 1 . 2]" 1
427 1 28 LYS HA 1 29 HIS H . . 4.500 3.511 3.471 3.557 . 0 0 "[ . 1 . 2]" 1
428 1 28 LYS HA 1 31 LEU H . . 4.060 3.509 3.288 3.849 . 0 0 "[ . 1 . 2]" 1
429 1 28 LYS HA 1 31 LEU QB . . 4.610 2.724 2.298 4.172 . 0 0 "[ . 1 . 2]" 1
430 1 28 LYS HA 1 32 ASP H . . 4.500 4.483 4.051 4.528 0.028 9 0 "[ . 1 . 2]" 1
431 1 28 LYS HB2 1 29 HIS H . . 3.860 3.536 3.176 3.795 . 0 0 "[ . 1 . 2]" 1
432 1 28 LYS HB3 1 29 HIS H . . 3.860 2.855 2.412 3.159 . 0 0 "[ . 1 . 2]" 1
433 1 28 LYS QE 1 28 LYS QG . . 3.300 2.126 1.998 2.565 . 0 0 "[ . 1 . 2]" 1
434 1 28 LYS QG 1 29 HIS H . . 4.680 4.381 4.032 4.597 . 0 0 "[ . 1 . 2]" 1
435 1 29 HIS H 1 30 PHE H . . 3.500 2.571 2.445 2.680 . 0 0 "[ . 1 . 2]" 1
436 1 29 HIS H 1 31 LEU H . . 4.550 4.127 3.883 4.387 . 0 0 "[ . 1 . 2]" 1
437 1 29 HIS H 1 32 ASP H . . 5.090 4.956 4.576 5.100 0.010 20 0 "[ . 1 . 2]" 1
438 1 29 HIS HA 1 29 HIS HD2 . . 4.170 2.936 2.157 3.929 . 0 0 "[ . 1 . 2]" 1
439 1 29 HIS HA 1 31 LEU H . . 4.500 4.501 4.403 4.539 0.039 9 0 "[ . 1 . 2]" 1
440 1 29 HIS HA 1 33 GLY H . . 5.500 4.908 4.118 5.482 . 0 0 "[ . 1 . 2]" 1
441 1 30 PHE H 1 30 PHE QB . . 3.580 2.361 2.127 2.622 . 0 0 "[ . 1 . 2]" 1
442 1 30 PHE H 1 30 PHE QD . . 4.250 3.697 2.882 4.206 . 0 0 "[ . 1 . 2]" 1
443 1 30 PHE H 1 31 LEU H . . 3.500 2.562 2.408 2.749 . 0 0 "[ . 1 . 2]" 1
444 1 30 PHE H 1 32 ASP H . . 4.500 4.029 3.894 4.155 . 0 0 "[ . 1 . 2]" 1
445 1 30 PHE HA 1 31 LEU H . . 4.500 3.532 3.498 3.552 . 0 0 "[ . 1 . 2]" 1
446 1 30 PHE HA 1 32 ASP H . . 4.810 4.105 3.949 4.514 . 0 0 "[ . 1 . 2]" 1
447 1 30 PHE HA 1 33 GLY H . . 5.500 3.370 3.186 4.035 . 0 0 "[ . 1 . 2]" 1
448 1 30 PHE HA 1 34 GLY H . . 5.500 4.671 3.935 5.411 . 0 0 "[ . 1 . 2]" 1
449 1 30 PHE HA 1 64 ALA MB . . 5.500 5.445 5.005 5.525 0.025 4 0 "[ . 1 . 2]" 1
450 1 30 PHE QB 1 31 LEU H . . 4.250 2.564 2.417 2.754 . 0 0 "[ . 1 . 2]" 1
451 1 30 PHE QB 1 31 LEU QD . . 4.850 3.450 2.757 4.481 . 0 0 "[ . 1 . 2]" 1
452 1 30 PHE QB 1 32 ASP H . . 4.700 4.598 4.549 4.716 0.016 20 0 "[ . 1 . 2]" 1
453 1 30 PHE HB2 1 32 ASP H . . 5.500 5.321 4.857 5.665 0.165 16 0 "[ . 1 . 2]" 1
454 1 30 PHE HB2 1 64 ALA MB . . 4.170 3.891 3.427 4.184 0.014 16 0 "[ . 1 . 2]" 1
455 1 30 PHE HB3 1 32 ASP H . . 5.500 5.127 4.804 5.527 0.027 13 0 "[ . 1 . 2]" 1
456 1 30 PHE HB3 1 64 ALA MB . . 4.170 3.662 3.348 3.952 . 0 0 "[ . 1 . 2]" 1
457 1 30 PHE QD 1 31 LEU H . . 4.610 4.037 3.553 4.395 . 0 0 "[ . 1 . 2]" 1
458 1 30 PHE QD 1 31 LEU QD . . 4.630 3.988 2.994 4.653 0.023 16 0 "[ . 1 . 2]" 1
459 1 31 LEU H 1 31 LEU HB2 . . 3.700 2.209 2.040 3.597 . 0 0 "[ . 1 . 2]" 1
460 1 31 LEU H 1 31 LEU HB3 . . 3.700 3.359 2.563 3.586 . 0 0 "[ . 1 . 2]" 1
461 1 31 LEU H 1 31 LEU MD1 . . 4.130 3.239 2.560 4.071 . 0 0 "[ . 1 . 2]" 1
462 1 31 LEU H 1 31 LEU MD2 . . 4.130 3.630 2.108 4.142 0.012 1 0 "[ . 1 . 2]" 1
463 1 31 LEU H 1 32 ASP H . . 3.500 2.684 2.512 2.787 . 0 0 "[ . 1 . 2]" 1
464 1 31 LEU H 1 61 LEU QD . . 5.180 4.230 3.490 4.915 . 0 0 "[ . 1 . 2]" 1
465 1 31 LEU HA 1 31 LEU MD1 . . 4.060 2.774 2.031 3.936 . 0 0 "[ . 1 . 2]" 1
466 1 31 LEU HA 1 31 LEU QD . . 3.530 2.308 1.952 3.405 . 0 0 "[ . 1 . 2]" 1
467 1 31 LEU HA 1 31 LEU MD2 . . 4.060 3.114 2.113 4.045 . 0 0 "[ . 1 . 2]" 1
468 1 31 LEU HA 1 32 ASP H . . 4.500 3.502 3.484 3.532 . 0 0 "[ . 1 . 2]" 1
469 1 31 LEU HA 1 33 GLY H . . 4.500 4.084 3.816 4.502 0.002 17 0 "[ . 1 . 2]" 1
470 1 31 LEU HA 1 34 GLY H . . 4.500 3.553 3.137 3.781 . 0 0 "[ . 1 . 2]" 1
471 1 31 LEU HA 1 61 LEU QD . . 2.860 2.315 1.859 2.870 0.010 1 0 "[ . 1 . 2]" 1
472 1 31 LEU QB 1 31 LEU QD . . 2.820 1.907 1.727 2.028 . 0 0 "[ . 1 . 2]" 1
473 1 31 LEU QB 1 32 ASP HA . . 4.320 3.864 3.785 4.405 0.085 16 0 "[ . 1 . 2]" 1
474 1 31 LEU QB 1 34 GLY H . . 5.190 4.989 4.527 5.187 . 0 0 "[ . 1 . 2]" 1
475 1 31 LEU QB 1 61 LEU QD . . 4.020 3.409 1.896 4.024 0.004 6 0 "[ . 1 . 2]" 1
476 1 31 LEU HB2 1 32 ASP H . . 3.730 3.122 2.652 3.821 0.091 16 0 "[ . 1 . 2]" 1
477 1 31 LEU HB3 1 32 ASP H . . 3.730 3.331 3.012 3.922 0.192 16 0 "[ . 1 . 2]" 1
478 1 31 LEU QD 1 34 GLY H . . 5.120 4.847 4.255 5.126 0.006 5 0 "[ . 1 . 2]" 1
479 1 31 LEU QD 1 35 GLU QG . . 4.430 4.210 3.344 4.438 0.008 1 0 "[ . 1 . 2]" 1
480 1 31 LEU QD 1 61 LEU QD . . 2.940 2.131 1.812 3.000 0.060 16 0 "[ . 1 . 2]" 1
481 1 31 LEU QD 1 64 ALA MB . . 6.000 4.329 3.031 5.419 . 0 0 "[ . 1 . 2]" 1
482 1 31 LEU MD1 1 32 ASP H . . 4.880 4.465 2.574 4.879 . 0 0 "[ . 1 . 2]" 1
483 1 31 LEU MD2 1 32 ASP H . . 4.880 4.648 3.778 4.896 0.016 10 0 "[ . 1 . 2]" 1
484 1 32 ASP H 1 61 LEU QD . . 5.260 4.699 4.236 5.227 . 0 0 "[ . 1 . 2]" 1
485 1 32 ASP HA 1 33 GLY H . . 4.500 3.479 3.419 3.561 . 0 0 "[ . 1 . 2]" 1
486 1 32 ASP HA 1 34 GLY H . . 4.860 4.398 4.033 4.820 . 0 0 "[ . 1 . 2]" 1
487 1 32 ASP HA 1 35 GLU H . . 5.300 3.722 3.195 4.070 . 0 0 "[ . 1 . 2]" 1
488 1 32 ASP HA 1 35 GLU HB2 . . 4.370 3.396 2.629 4.375 0.005 16 0 "[ . 1 . 2]" 1
489 1 32 ASP HA 1 35 GLU QG . . 4.340 3.042 2.300 3.801 . 0 0 "[ . 1 . 2]" 1
490 1 33 GLY H 1 34 GLY H . . 3.500 2.594 2.442 2.684 . 0 0 "[ . 1 . 2]" 1
491 1 33 GLY H 1 34 GLY HA2 . . 5.260 5.201 5.071 5.293 0.033 3 0 "[ . 1 . 2]" 1
492 1 33 GLY H 1 34 GLY QA . . 4.550 4.470 4.353 4.568 0.018 3 0 "[ . 1 . 2]" 1
493 1 33 GLY H 1 34 GLY HA3 . . 5.260 4.871 4.738 4.993 . 0 0 "[ . 1 . 2]" 1
494 1 33 GLY QA 1 34 GLY H . . 4.500 2.730 2.614 2.833 . 0 0 "[ . 1 . 2]" 1
495 1 33 GLY QA 1 34 GLY QA . . 4.240 3.756 3.720 3.805 . 0 0 "[ . 1 . 2]" 1
496 1 33 GLY QA 1 36 MET H . . 4.500 3.476 3.152 3.802 . 0 0 "[ . 1 . 2]" 1
497 1 34 GLY H 1 35 GLU HB2 . . 5.070 4.932 4.712 5.072 0.002 1 0 "[ . 1 . 2]" 1
498 1 34 GLY H 1 36 MET H . . 4.120 4.023 3.745 4.293 0.173 16 0 "[ . 1 . 2]" 1
499 1 34 GLY H 1 37 ILE MG . . 5.500 5.400 4.609 5.603 0.103 12 0 "[ . 1 . 2]" 1
500 1 34 GLY H 1 61 LEU QD . . 3.790 2.794 2.354 3.340 . 0 0 "[ . 1 . 2]" 1
501 1 34 GLY H 1 61 LEU HG . . 5.300 4.721 4.154 5.320 0.020 8 0 "[ . 1 . 2]" 1
502 1 34 GLY QA 1 35 GLU H . . 4.500 2.754 2.559 2.810 . 0 0 "[ . 1 . 2]" 1
503 1 34 GLY QA 1 35 GLU HA . . 5.070 4.028 4.008 4.075 . 0 0 "[ . 1 . 2]" 1
504 1 34 GLY QA 1 37 ILE H . . 3.500 3.522 3.192 3.601 0.101 5 0 "[ . 1 . 2]" 1
505 1 34 GLY QA 1 61 LEU QD . . 3.600 1.937 1.675 2.298 . 0 0 "[ . 1 . 2]" 1
506 1 34 GLY QA 1 61 LEU HG . . 4.600 3.690 2.749 4.598 . 0 0 "[ . 1 . 2]" 1
507 1 35 GLU H 1 35 GLU HB2 . . 3.670 2.513 2.307 2.652 . 0 0 "[ . 1 . 2]" 1
508 1 35 GLU H 1 35 GLU HB3 . . 3.770 3.593 3.563 3.617 . 0 0 "[ . 1 . 2]" 1
509 1 35 GLU H 1 35 GLU HG2 . . 4.300 2.498 1.980 3.471 . 0 0 "[ . 1 . 2]" 1
510 1 35 GLU H 1 35 GLU QG . . 3.670 2.292 1.963 2.718 . 0 0 "[ . 1 . 2]" 1
511 1 35 GLU H 1 35 GLU HG3 . . 4.300 2.997 2.132 3.556 . 0 0 "[ . 1 . 2]" 1
512 1 35 GLU H 1 36 MET H . . 3.500 2.568 2.404 2.761 . 0 0 "[ . 1 . 2]" 1
513 1 35 GLU H 1 37 ILE H . . 5.430 4.394 4.079 4.734 . 0 0 "[ . 1 . 2]" 1
514 1 35 GLU H 1 61 LEU MD1 . . 4.730 4.031 2.571 4.735 0.005 17 0 "[ . 1 . 2]" 1
515 1 35 GLU H 1 61 LEU QD . . 4.030 3.511 2.516 4.041 0.011 16 0 "[ . 1 . 2]" 1
516 1 35 GLU H 1 61 LEU MD2 . . 4.730 3.965 2.619 4.739 0.009 11 0 "[ . 1 . 2]" 1
517 1 35 GLU HA 1 35 GLU QG . . 3.490 2.545 2.369 2.774 . 0 0 "[ . 1 . 2]" 1
518 1 35 GLU HA 1 37 ILE H . . 4.500 4.115 3.742 4.434 . 0 0 "[ . 1 . 2]" 1
519 1 35 GLU HA 1 37 ILE MG . . 4.710 4.020 3.523 4.421 . 0 0 "[ . 1 . 2]" 1
520 1 35 GLU HA 1 38 VAL H . . 4.220 3.224 3.063 3.449 . 0 0 "[ . 1 . 2]" 1
521 1 35 GLU HA 1 38 VAL HB . . 3.660 2.798 2.046 3.688 0.028 13 0 "[ . 1 . 2]" 1
522 1 35 GLU HA 1 38 VAL MG1 . . 4.690 4.007 3.456 4.628 . 0 0 "[ . 1 . 2]" 1
523 1 35 GLU HA 1 38 VAL MG2 . . 3.630 2.180 1.907 2.655 . 0 0 "[ . 1 . 2]" 1
524 1 35 GLU HA 1 61 LEU MD1 . . 5.500 4.921 3.793 5.523 0.023 8 0 "[ . 1 . 2]" 1
525 1 35 GLU HA 1 61 LEU QD . . 4.530 4.342 3.382 4.581 0.051 16 0 "[ . 1 . 2]" 1
526 1 35 GLU HA 1 61 LEU MD2 . . 5.500 4.993 3.800 5.518 0.018 12 0 "[ . 1 . 2]" 1
527 1 35 GLU HB2 1 36 MET H . . 3.640 3.137 2.935 3.223 . 0 0 "[ . 1 . 2]" 1
528 1 35 GLU HB2 1 36 MET QG . . 4.490 3.868 3.530 4.488 . 0 0 "[ . 1 . 2]" 1
529 1 35 GLU HB3 1 36 MET H . . 4.220 4.050 3.805 4.163 . 0 0 "[ . 1 . 2]" 1
530 1 35 GLU HB3 1 38 VAL MG2 . . 4.680 4.098 3.203 4.680 0.000 11 0 "[ . 1 . 2]" 1
531 1 35 GLU QG 1 61 LEU QD . . 4.180 3.364 1.916 4.192 0.012 16 0 "[ . 1 . 2]" 1
532 1 36 MET H 1 36 MET HB2 . . 4.150 2.372 2.088 2.586 . 0 0 "[ . 1 . 2]" 1
533 1 36 MET H 1 36 MET QB . . 3.330 2.337 2.069 2.530 . 0 0 "[ . 1 . 2]" 1
534 1 36 MET H 1 36 MET HB3 . . 4.150 3.538 3.341 3.601 . 0 0 "[ . 1 . 2]" 1
535 1 36 MET H 1 36 MET HG2 . . 3.820 2.732 1.994 3.698 . 0 0 "[ . 1 . 2]" 1
536 1 36 MET H 1 36 MET QG . . 3.340 2.548 1.980 3.326 . 0 0 "[ . 1 . 2]" 1
537 1 36 MET H 1 36 MET HG3 . . 3.820 3.327 2.319 3.820 . 0 0 "[ . 1 . 2]" 1
538 1 36 MET H 1 37 ILE H . . 3.400 2.583 2.452 2.745 . 0 0 "[ . 1 . 2]" 1
539 1 36 MET H 1 37 ILE HA . . 5.500 5.212 5.109 5.334 . 0 0 "[ . 1 . 2]" 1
540 1 36 MET H 1 37 ILE MG . . 4.870 4.206 3.679 4.600 . 0 0 "[ . 1 . 2]" 1
541 1 36 MET H 1 39 THR H . . 5.440 5.094 4.733 5.475 0.035 10 0 "[ . 1 . 2]" 1
542 1 36 MET H 1 61 LEU QD . . 5.440 5.039 4.476 5.431 . 0 0 "[ . 1 . 2]" 1
543 1 36 MET HA 1 36 MET HG2 . . 4.040 2.515 2.052 3.027 . 0 0 "[ . 1 . 2]" 1
544 1 36 MET HA 1 36 MET QG . . 3.450 2.466 2.033 2.917 . 0 0 "[ . 1 . 2]" 1
545 1 36 MET HA 1 36 MET HG3 . . 4.040 3.638 3.225 3.815 . 0 0 "[ . 1 . 2]" 1
546 1 36 MET HA 1 37 ILE H . . 4.500 3.513 3.475 3.560 . 0 0 "[ . 1 . 2]" 1
547 1 36 MET HA 1 37 ILE HA . . 5.500 4.707 4.670 4.830 . 0 0 "[ . 1 . 2]" 1
548 1 36 MET HA 1 39 THR H . . 4.040 3.870 3.583 4.081 0.041 4 0 "[ . 1 . 2]" 1
549 1 36 MET QB 1 37 ILE H . . 3.570 2.694 2.368 2.931 . 0 0 "[ . 1 . 2]" 1
550 1 37 ILE H 1 37 ILE HB . . 3.380 2.433 2.227 2.639 . 0 0 "[ . 1 . 2]" 1
551 1 37 ILE H 1 37 ILE MD . . 4.860 4.253 3.713 4.381 . 0 0 "[ . 1 . 2]" 1
552 1 37 ILE H 1 37 ILE QG . . 4.190 3.975 3.809 4.108 . 0 0 "[ . 1 . 2]" 1
553 1 37 ILE H 1 40 ALA MB . . 5.500 5.214 4.817 5.573 0.073 10 0 "[ . 1 . 2]" 1
554 1 37 ILE HA 1 37 ILE MD . . 3.850 3.173 1.957 3.752 . 0 0 "[ . 1 . 2]" 1
555 1 37 ILE HA 1 37 ILE MG . . 3.520 3.167 3.091 3.200 . 0 0 "[ . 1 . 2]" 1
556 1 37 ILE HA 1 40 ALA H . . 4.260 3.636 3.406 3.938 . 0 0 "[ . 1 . 2]" 1
557 1 37 ILE HA 1 40 ALA MB . . 3.630 2.975 2.499 3.379 . 0 0 "[ . 1 . 2]" 1
558 1 37 ILE HA 1 53 LEU QD . . 5.260 4.121 2.590 5.264 0.004 13 0 "[ . 1 . 2]" 1
559 1 37 ILE HA 1 53 LEU HG . . 5.500 5.002 4.057 5.663 0.163 16 0 "[ . 1 . 2]" 1
560 1 37 ILE HB 1 40 ALA MB . . 5.500 5.062 4.687 5.385 . 0 0 "[ . 1 . 2]" 1
561 1 37 ILE MD 1 38 VAL H . . 5.310 4.872 4.169 5.076 . 0 0 "[ . 1 . 2]" 1
562 1 37 ILE MD 1 53 LEU QD . . 3.950 2.463 1.718 2.770 . 0 0 "[ . 1 . 2]" 1
563 1 37 ILE MD 1 53 LEU HG . . 4.050 2.595 2.017 4.124 0.074 16 0 "[ . 1 . 2]" 1
564 1 37 ILE MD 1 54 LEU HG . . 6.000 5.733 5.267 6.092 0.092 16 0 "[ . 1 . 2]" 1
565 1 37 ILE QG 1 37 ILE MG . . 3.340 2.169 2.084 2.307 . 0 0 "[ . 1 . 2]" 1
566 1 37 ILE QG 1 40 ALA MB . . 5.310 3.463 2.946 4.149 . 0 0 "[ . 1 . 2]" 1
567 1 37 ILE QG 1 53 LEU HA . . 4.700 3.242 2.526 4.584 . 0 0 "[ . 1 . 2]" 1
568 1 37 ILE QG 1 53 LEU QD . . 4.070 2.600 1.764 4.040 . 0 0 "[ . 1 . 2]" 1
569 1 37 ILE MG 1 38 VAL H . . 3.680 2.150 2.055 2.342 . 0 0 "[ . 1 . 2]" 1
570 1 37 ILE MG 1 41 ALA MB . . 4.190 4.210 4.117 4.255 0.065 12 0 "[ . 1 . 2]" 1
571 1 37 ILE MG 1 53 LEU HA . . 4.050 3.910 3.496 4.117 0.067 16 0 "[ . 1 . 2]" 1
572 1 37 ILE MG 1 53 LEU QB . . 4.550 3.181 2.420 3.474 . 0 0 "[ . 1 . 2]" 1
573 1 37 ILE MG 1 53 LEU QD . . 4.170 3.866 2.661 4.202 0.032 6 0 "[ . 1 . 2]" 1
574 1 37 ILE MG 1 54 LEU H . . 4.840 4.673 4.363 4.866 0.026 4 0 "[ . 1 . 2]" 1
575 1 37 ILE MG 1 54 LEU QD . . 5.630 3.865 3.196 4.396 . 0 0 "[ . 1 . 2]" 1
576 1 37 ILE MG 1 57 GLY H . . 4.140 3.614 3.352 3.881 . 0 0 "[ . 1 . 2]" 1
577 1 37 ILE MG 1 57 GLY HA2 . . 4.090 2.948 2.301 3.681 . 0 0 "[ . 1 . 2]" 1
578 1 37 ILE MG 1 57 GLY QA . . 4.570 2.371 1.839 2.931 . 0 0 "[ . 1 . 2]" 1
579 1 37 ILE MG 1 57 GLY HA3 . . 4.090 2.525 1.905 3.078 . 0 0 "[ . 1 . 2]" 1
580 1 37 ILE MG 1 58 LYS H . . 5.060 4.678 4.091 5.099 0.039 10 0 "[ . 1 . 2]" 1
581 1 38 VAL H 1 38 VAL HB . . 3.380 2.529 2.479 2.638 . 0 0 "[ . 1 . 2]" 1
582 1 38 VAL H 1 38 VAL MG1 . . 3.820 3.765 3.758 3.782 . 0 0 "[ . 1 . 2]" 1
583 1 38 VAL H 1 38 VAL MG2 . . 3.880 2.184 1.920 2.406 . 0 0 "[ . 1 . 2]" 1
584 1 38 VAL H 1 39 THR H . . 3.540 2.675 2.584 2.782 . 0 0 "[ . 1 . 2]" 1
585 1 38 VAL H 1 40 ALA H . . 4.360 4.049 3.859 4.301 . 0 0 "[ . 1 . 2]" 1
586 1 38 VAL H 1 40 ALA MB . . 5.500 4.777 4.516 4.991 . 0 0 "[ . 1 . 2]" 1
587 1 38 VAL H 1 41 ALA H . . 5.390 4.955 4.788 5.395 0.005 10 0 "[ . 1 . 2]" 1
588 1 38 VAL HA 1 38 VAL MG1 . . 3.380 2.320 2.271 2.365 . 0 0 "[ . 1 . 2]" 1
589 1 38 VAL HA 1 38 VAL MG2 . . 3.260 2.364 2.283 2.424 . 0 0 "[ . 1 . 2]" 1
590 1 38 VAL HA 1 40 ALA H . . 4.720 3.972 3.820 4.430 . 0 0 "[ . 1 . 2]" 1
591 1 38 VAL HA 1 41 ALA H . . 4.250 3.259 3.121 3.494 . 0 0 "[ . 1 . 2]" 1
592 1 38 VAL HA 1 41 ALA MB . . 3.800 2.704 2.548 3.206 . 0 0 "[ . 1 . 2]" 1
593 1 38 VAL HA 1 54 LEU H . . 5.500 5.479 5.102 5.531 0.031 18 0 "[ . 1 . 2]" 1
594 1 38 VAL HA 1 54 LEU HA . . 4.370 3.963 3.773 4.299 . 0 0 "[ . 1 . 2]" 1
595 1 38 VAL HA 1 54 LEU MD2 . . 3.660 2.429 2.182 2.969 . 0 0 "[ . 1 . 2]" 1
596 1 38 VAL HB 1 39 THR H . . 3.680 2.496 2.275 2.850 . 0 0 "[ . 1 . 2]" 1
597 1 38 VAL HB 1 39 THR MG . . 5.000 4.421 3.872 4.814 . 0 0 "[ . 1 . 2]" 1
598 1 38 VAL MG1 1 39 THR H . . 3.930 3.382 3.136 3.639 . 0 0 "[ . 1 . 2]" 1
599 1 38 VAL MG1 1 39 THR HA . . 4.180 3.525 3.283 3.770 . 0 0 "[ . 1 . 2]" 1
600 1 38 VAL MG1 1 40 ALA H . . 5.410 4.672 4.592 5.022 . 0 0 "[ . 1 . 2]" 1
601 1 38 VAL MG1 1 42 GLU HA . . 5.240 4.632 4.324 5.148 . 0 0 "[ . 1 . 2]" 1
602 1 38 VAL MG1 1 42 GLU QG . . 4.140 2.041 1.822 2.502 . 0 0 "[ . 1 . 2]" 1
603 1 38 VAL MG1 1 54 LEU HA . . 5.480 4.576 4.180 5.054 . 0 0 "[ . 1 . 2]" 1
604 1 38 VAL MG2 1 39 THR H . . 4.070 3.787 3.574 3.906 . 0 0 "[ . 1 . 2]" 1
605 1 38 VAL MG2 1 41 ALA MB . . 4.530 4.191 4.032 4.492 . 0 0 "[ . 1 . 2]" 1
606 1 38 VAL MG2 1 54 LEU HA . . 3.890 3.431 3.089 3.827 . 0 0 "[ . 1 . 2]" 1
607 1 38 VAL MG2 1 54 LEU HG . . 4.610 4.599 4.507 4.623 0.013 20 0 "[ . 1 . 2]" 1
608 1 39 THR H 1 39 THR HB . . 3.320 2.465 2.352 2.642 . 0 0 "[ . 1 . 2]" 1
609 1 39 THR H 1 39 THR MG . . 3.520 2.292 1.909 2.513 . 0 0 "[ . 1 . 2]" 1
610 1 39 THR H 1 40 ALA H . . 3.470 2.778 2.661 2.885 . 0 0 "[ . 1 . 2]" 1
611 1 39 THR H 1 42 GLU H . . 5.230 4.815 4.717 4.898 . 0 0 "[ . 1 . 2]" 1
612 1 39 THR HA 1 39 THR MG . . 3.200 3.195 3.189 3.205 0.005 14 0 "[ . 1 . 2]" 1
613 1 39 THR HA 1 41 ALA MB . . 5.360 5.182 4.999 5.376 0.016 9 0 "[ . 1 . 2]" 1
614 1 39 THR HA 1 42 GLU H . . 3.960 3.593 3.323 3.920 . 0 0 "[ . 1 . 2]" 1
615 1 39 THR HA 1 42 GLU HB2 . . 3.920 2.712 2.302 2.925 . 0 0 "[ . 1 . 2]" 1
616 1 39 THR HA 1 42 GLU HG2 . . 4.950 4.689 4.323 4.950 0.000 7 0 "[ . 1 . 2]" 1
617 1 39 THR HA 1 42 GLU QG . . 4.290 3.179 2.888 3.746 . 0 0 "[ . 1 . 2]" 1
618 1 39 THR HA 1 42 GLU HG3 . . 4.950 3.237 2.919 3.885 . 0 0 "[ . 1 . 2]" 1
619 1 39 THR HA 1 43 LYS H . . 4.390 3.824 3.483 4.210 . 0 0 "[ . 1 . 2]" 1
620 1 39 THR HB 1 40 ALA H . . 4.090 3.979 3.916 4.098 0.008 8 0 "[ . 1 . 2]" 1
621 1 39 THR HB 1 40 ALA MB . . 5.500 5.315 5.223 5.441 . 0 0 "[ . 1 . 2]" 1
622 1 39 THR MG 1 40 ALA H . . 3.240 2.037 1.936 2.198 . 0 0 "[ . 1 . 2]" 1
623 1 39 THR MG 1 42 GLU H . . 5.500 5.096 4.809 5.352 . 0 0 "[ . 1 . 2]" 1
624 1 39 THR MG 1 43 LYS H . . 5.130 5.068 4.940 5.143 0.013 1 0 "[ . 1 . 2]" 1
625 1 40 ALA H 1 40 ALA MB . . 3.210 2.089 2.044 2.211 . 0 0 "[ . 1 . 2]" 1
626 1 40 ALA H 1 41 ALA H . . 3.490 2.559 2.487 2.759 . 0 0 "[ . 1 . 2]" 1
627 1 40 ALA H 1 41 ALA MB . . 4.490 4.177 4.110 4.406 . 0 0 "[ . 1 . 2]" 1
628 1 40 ALA H 1 42 GLU H . . 4.590 4.070 3.787 4.386 . 0 0 "[ . 1 . 2]" 1
629 1 40 ALA HA 1 43 LYS H . . 4.380 3.906 3.450 4.130 . 0 0 "[ . 1 . 2]" 1
630 1 40 ALA HA 1 43 LYS HB2 . . 4.340 3.484 2.857 4.340 . 0 0 "[ . 1 . 2]" 1
631 1 40 ALA HA 1 43 LYS QB . . 3.780 3.169 2.812 3.345 . 0 0 "[ . 1 . 2]" 1
632 1 40 ALA HA 1 43 LYS HB3 . . 4.340 4.011 3.174 4.344 0.004 12 0 "[ . 1 . 2]" 1
633 1 40 ALA HA 1 43 LYS QD . . 4.230 4.004 3.328 4.237 0.007 9 0 "[ . 1 . 2]" 1
634 1 40 ALA HA 1 53 LEU QD . . 5.440 4.863 3.871 5.475 0.035 10 0 "[ . 1 . 2]" 1
635 1 40 ALA MB 1 41 ALA H . . 3.420 2.684 2.425 2.780 . 0 0 "[ . 1 . 2]" 1
636 1 40 ALA MB 1 41 ALA HA . . 4.200 3.766 3.669 3.842 . 0 0 "[ . 1 . 2]" 1
637 1 40 ALA MB 1 41 ALA MB . . 4.190 3.724 3.638 3.772 . 0 0 "[ . 1 . 2]" 1
638 1 40 ALA MB 1 42 GLU H . . 5.500 4.600 4.280 4.837 . 0 0 "[ . 1 . 2]" 1
639 1 40 ALA MB 1 43 LYS H . . 5.100 4.941 4.505 5.101 0.001 13 0 "[ . 1 . 2]" 1
640 1 40 ALA MB 1 43 LYS QB . . 5.340 4.479 4.240 4.584 . 0 0 "[ . 1 . 2]" 1
641 1 40 ALA MB 1 44 GLU H . . 5.150 4.962 4.584 5.158 0.008 16 0 "[ . 1 . 2]" 1
642 1 40 ALA MB 1 47 GLN QB . . 6.000 5.934 5.754 6.062 0.062 10 0 "[ . 1 . 2]" 1
643 1 40 ALA MB 1 47 GLN QE . . 6.000 5.635 4.098 6.022 0.022 10 0 "[ . 1 . 2]" 1
644 1 40 ALA MB 1 47 GLN QG . . 6.000 5.767 5.455 6.049 0.049 10 0 "[ . 1 . 2]" 1
645 1 40 ALA MB 1 50 ARG HA . . 4.910 4.768 4.164 4.973 0.063 18 0 "[ . 1 . 2]" 1
646 1 40 ALA MB 1 53 LEU QD . . 4.340 2.564 1.708 3.132 . 0 0 "[ . 1 . 2]" 1
647 1 41 ALA H 1 41 ALA MB . . 3.100 2.078 2.051 2.186 . 0 0 "[ . 1 . 2]" 1
648 1 41 ALA H 1 42 GLU H . . 3.540 2.562 2.465 2.686 . 0 0 "[ . 1 . 2]" 1
649 1 41 ALA H 1 42 GLU QG . . 5.320 4.285 4.033 4.721 . 0 0 "[ . 1 . 2]" 1
650 1 41 ALA H 1 43 LYS H . . 4.330 4.223 3.919 4.337 0.007 12 0 "[ . 1 . 2]" 1
651 1 41 ALA H 1 44 GLU H . . 4.930 4.660 4.515 4.936 0.006 9 0 "[ . 1 . 2]" 1
652 1 41 ALA H 1 50 ARG QG . . 4.920 4.282 4.126 4.343 . 0 0 "[ . 1 . 2]" 1
653 1 41 ALA H 1 54 LEU MD1 . . 5.500 4.915 4.673 5.146 . 0 0 "[ . 1 . 2]" 1
654 1 41 ALA HA 1 44 GLU H . . 3.830 3.461 3.282 3.560 . 0 0 "[ . 1 . 2]" 1
655 1 41 ALA HA 1 44 GLU QB . . 3.780 2.619 2.087 3.833 0.053 10 0 "[ . 1 . 2]" 1
656 1 41 ALA HA 1 44 GLU HG2 . . 4.260 3.985 1.971 4.275 0.015 12 0 "[ . 1 . 2]" 1
657 1 41 ALA HA 1 44 GLU HG3 . . 4.250 3.948 3.176 4.251 0.001 2 0 "[ . 1 . 2]" 1
658 1 41 ALA HA 1 45 ALA H . . 5.500 5.509 5.489 5.529 0.029 10 0 "[ . 1 . 2]" 1
659 1 41 ALA HA 1 50 ARG QD . . 3.920 3.824 3.570 3.926 0.006 16 0 "[ . 1 . 2]" 1
660 1 41 ALA HA 1 50 ARG QG . . 3.840 1.986 1.914 2.066 . 0 0 "[ . 1 . 2]" 1
661 1 41 ALA HA 1 54 LEU MD1 . . 4.370 4.071 3.716 4.370 . 0 0 "[ . 1 . 2]" 1
662 1 41 ALA MB 1 42 GLU H . . 3.430 2.663 2.434 2.900 . 0 0 "[ . 1 . 2]" 1
663 1 41 ALA MB 1 42 GLU HA . . 3.940 3.735 3.640 3.905 . 0 0 "[ . 1 . 2]" 1
664 1 41 ALA MB 1 42 GLU HG2 . . 4.520 3.659 3.257 3.941 . 0 0 "[ . 1 . 2]" 1
665 1 41 ALA MB 1 42 GLU HG3 . . 4.520 4.140 3.596 4.491 . 0 0 "[ . 1 . 2]" 1
666 1 41 ALA MB 1 43 LYS H . . 5.000 4.669 4.375 4.831 . 0 0 "[ . 1 . 2]" 1
667 1 41 ALA MB 1 44 GLU H . . 4.530 4.471 4.332 4.545 0.015 12 0 "[ . 1 . 2]" 1
668 1 41 ALA MB 1 50 ARG HA . . 3.960 2.879 2.576 3.298 . 0 0 "[ . 1 . 2]" 1
669 1 41 ALA MB 1 50 ARG QG . . 3.860 1.879 1.832 1.956 . 0 0 "[ . 1 . 2]" 1
670 1 41 ALA MB 1 53 LEU H . . 4.480 4.428 3.948 4.512 0.032 4 0 "[ . 1 . 2]" 1
671 1 41 ALA MB 1 53 LEU HA . . 5.500 5.057 4.811 5.368 . 0 0 "[ . 1 . 2]" 1
672 1 41 ALA MB 1 53 LEU HB2 . . 4.050 2.858 2.398 3.032 . 0 0 "[ . 1 . 2]" 1
673 1 41 ALA MB 1 53 LEU QB . . 3.430 2.614 2.328 2.790 . 0 0 "[ . 1 . 2]" 1
674 1 41 ALA MB 1 53 LEU HB3 . . 4.050 3.054 2.803 3.435 . 0 0 "[ . 1 . 2]" 1
675 1 41 ALA MB 1 53 LEU MD1 . . 5.200 4.245 2.818 4.856 . 0 0 "[ . 1 . 2]" 1
676 1 41 ALA MB 1 53 LEU QD . . 3.950 3.077 2.787 3.858 . 0 0 "[ . 1 . 2]" 1
677 1 41 ALA MB 1 53 LEU MD2 . . 5.200 3.364 2.857 4.401 . 0 0 "[ . 1 . 2]" 1
678 1 41 ALA MB 1 54 LEU H . . 3.580 3.443 3.132 3.543 . 0 0 "[ . 1 . 2]" 1
679 1 41 ALA MB 1 54 LEU HB2 . . 4.400 4.048 3.926 4.181 . 0 0 "[ . 1 . 2]" 1
680 1 41 ALA MB 1 54 LEU MD1 . . 3.470 1.980 1.836 2.168 . 0 0 "[ . 1 . 2]" 1
681 1 41 ALA MB 1 54 LEU MD2 . . 3.230 2.013 1.845 2.429 . 0 0 "[ . 1 . 2]" 1
682 1 42 GLU H 1 42 GLU HB2 . . 3.080 2.467 2.307 2.670 . 0 0 "[ . 1 . 2]" 1
683 1 42 GLU H 1 42 GLU HG2 . . 3.540 2.794 2.160 3.143 . 0 0 "[ . 1 . 2]" 1
684 1 42 GLU H 1 42 GLU QG . . 3.080 2.411 2.082 2.698 . 0 0 "[ . 1 . 2]" 1
685 1 42 GLU H 1 42 GLU HG3 . . 3.540 2.762 2.122 3.254 . 0 0 "[ . 1 . 2]" 1
686 1 42 GLU H 1 43 LYS H . . 3.240 2.757 2.396 2.917 . 0 0 "[ . 1 . 2]" 1
687 1 42 GLU H 1 50 ARG QG . . 5.110 4.501 4.356 4.780 . 0 0 "[ . 1 . 2]" 1
688 1 42 GLU H 1 54 LEU MD1 . . 4.860 4.632 4.254 4.868 0.008 20 0 "[ . 1 . 2]" 1
689 1 42 GLU H 1 54 LEU MD2 . . 4.120 3.584 2.965 4.124 0.004 10 0 "[ . 1 . 2]" 1
690 1 42 GLU HA 1 42 GLU HG2 . . 3.900 2.401 2.207 2.592 . 0 0 "[ . 1 . 2]" 1
691 1 42 GLU HA 1 42 GLU QG . . 3.420 2.363 2.183 2.548 . 0 0 "[ . 1 . 2]" 1
692 1 42 GLU HA 1 42 GLU HG3 . . 3.900 3.540 3.267 3.760 . 0 0 "[ . 1 . 2]" 1
693 1 42 GLU HA 1 43 LYS HA . . 4.790 4.746 4.601 4.827 0.037 16 0 "[ . 1 . 2]" 1
694 1 42 GLU HB2 1 43 LYS H . . 3.570 2.484 2.276 3.172 . 0 0 "[ . 1 . 2]" 1
695 1 42 GLU HB3 1 43 LYS H . . 3.960 3.459 3.112 3.972 0.012 10 0 "[ . 1 . 2]" 1
696 1 42 GLU HB3 1 43 LYS HA . . 4.730 4.324 4.039 4.516 . 0 0 "[ . 1 . 2]" 1
697 1 42 GLU QG 1 43 LYS H . . 4.300 4.007 3.763 4.309 0.009 10 0 "[ . 1 . 2]" 1
698 1 42 GLU HG2 1 43 LYS H . . 5.060 4.627 4.317 4.790 . 0 0 "[ . 1 . 2]" 1
699 1 42 GLU HG2 1 54 LEU MD2 . . 4.000 3.193 2.612 3.997 . 0 0 "[ . 1 . 2]" 1
700 1 42 GLU HG3 1 43 LYS H . . 5.060 4.412 4.095 4.956 . 0 0 "[ . 1 . 2]" 1
701 1 42 GLU HG3 1 54 LEU MD2 . . 4.000 3.743 3.405 4.001 0.001 10 0 "[ . 1 . 2]" 1
702 1 43 LYS H 1 43 LYS QB . . 3.180 2.127 2.038 2.284 . 0 0 "[ . 1 . 2]" 1
703 1 43 LYS H 1 43 LYS QD . . 5.230 3.672 2.656 4.505 . 0 0 "[ . 1 . 2]" 1
704 1 43 LYS H 1 43 LYS QG . . 4.200 3.579 3.276 3.977 . 0 0 "[ . 1 . 2]" 1
705 1 43 LYS H 1 44 GLU HG2 . . 4.860 4.594 4.046 4.863 0.003 15 0 "[ . 1 . 2]" 1
706 1 43 LYS HA 1 43 LYS QD . . 3.870 3.695 3.152 3.887 0.017 10 0 "[ . 1 . 2]" 1
707 1 43 LYS HA 1 43 LYS QG . . 3.320 2.142 2.026 2.339 . 0 0 "[ . 1 . 2]" 1
708 1 43 LYS HB2 1 44 GLU H . . 4.090 3.524 3.155 4.032 . 0 0 "[ . 1 . 2]" 1
709 1 43 LYS HB3 1 44 GLU H . . 4.090 3.366 2.981 4.122 0.032 9 0 "[ . 1 . 2]" 1
710 1 43 LYS QG 1 44 GLU H . . 4.670 4.510 4.061 4.669 . 0 0 "[ . 1 . 2]" 1
711 1 44 GLU H 1 44 GLU QB . . 3.290 2.354 2.215 2.648 . 0 0 "[ . 1 . 2]" 1
712 1 44 GLU H 1 44 GLU HG2 . . 3.810 2.841 2.358 3.531 . 0 0 "[ . 1 . 2]" 1
713 1 44 GLU H 1 44 GLU HG3 . . 4.520 4.006 3.688 4.230 . 0 0 "[ . 1 . 2]" 1
714 1 44 GLU H 1 45 ALA H . . 4.480 4.465 4.388 4.508 0.028 4 0 "[ . 1 . 2]" 1
715 1 44 GLU H 1 45 ALA HA . . 5.380 5.219 5.068 5.345 . 0 0 "[ . 1 . 2]" 1
716 1 44 GLU H 1 50 ARG QD . . 5.130 5.069 4.741 5.185 0.055 10 0 "[ . 1 . 2]" 1
717 1 44 GLU HA 1 44 GLU HG2 . . 3.850 2.964 2.454 3.662 . 0 0 "[ . 1 . 2]" 1
718 1 44 GLU HA 1 44 GLU HG3 . . 4.030 3.700 3.606 3.838 . 0 0 "[ . 1 . 2]" 1
719 1 44 GLU HA 1 45 ALA H . . 2.800 2.633 2.595 2.718 . 0 0 "[ . 1 . 2]" 1
720 1 44 GLU HA 1 45 ALA MB . . 3.890 3.734 3.662 3.808 . 0 0 "[ . 1 . 2]" 1
721 1 44 GLU QB 1 53 LEU QD . . 5.280 4.390 3.963 5.345 0.065 10 0 "[ . 1 . 2]" 1
722 1 44 GLU HB2 1 45 ALA H . . 4.050 3.223 2.166 3.622 . 0 0 "[ . 1 . 2]" 1
723 1 44 GLU HB3 1 45 ALA H . . 4.050 2.148 1.933 3.679 . 0 0 "[ . 1 . 2]" 1
724 1 44 GLU HG2 1 45 ALA H . . 4.650 4.422 3.562 4.651 0.001 2 0 "[ . 1 . 2]" 1
725 1 44 GLU HG2 1 53 LEU QD . . 5.440 5.112 4.604 5.445 0.005 18 0 "[ . 1 . 2]" 1
726 1 44 GLU HG3 1 45 ALA H . . 4.520 4.112 2.550 4.448 . 0 0 "[ . 1 . 2]" 1
727 1 45 ALA H 1 45 ALA MB . . 2.940 2.821 2.750 2.883 . 0 0 "[ . 1 . 2]" 1
728 1 45 ALA H 1 47 GLN HB2 . . 4.530 3.346 2.873 3.657 . 0 0 "[ . 1 . 2]" 1
729 1 45 ALA H 1 50 ARG QB . . 4.980 4.261 3.634 4.795 . 0 0 "[ . 1 . 2]" 1
730 1 45 ALA HA 1 47 GLN H . . 4.130 3.771 3.265 4.115 . 0 0 "[ . 1 . 2]" 1
731 1 45 ALA MB 1 46 SER H . . 3.200 2.579 2.130 2.928 . 0 0 "[ . 1 . 2]" 1
732 1 45 ALA MB 1 46 SER HA . . 4.390 3.977 3.767 4.434 0.044 12 0 "[ . 1 . 2]" 1
733 1 45 ALA MB 1 47 GLN H . . 4.940 4.402 4.301 4.524 . 0 0 "[ . 1 . 2]" 1
734 1 46 SER H 1 46 SER QB . . 3.110 2.568 2.243 2.977 . 0 0 "[ . 1 . 2]" 1
735 1 46 SER H 1 47 GLN H . . 4.290 3.137 2.605 3.520 . 0 0 "[ . 1 . 2]" 1
736 1 46 SER H 1 47 GLN HA . . 5.340 5.184 5.029 5.338 . 0 0 "[ . 1 . 2]" 1
737 1 46 SER H 1 47 GLN HB2 . . 4.710 4.342 4.071 4.772 0.062 10 0 "[ . 1 . 2]" 1
738 1 46 SER HA 1 47 GLN H . . 3.100 2.739 2.556 2.973 . 0 0 "[ . 1 . 2]" 1
739 1 46 SER HA 1 47 GLN HA . . 4.610 4.439 4.350 4.564 . 0 0 "[ . 1 . 2]" 1
740 1 46 SER HA 1 47 GLN HB2 . . 5.230 5.006 4.801 5.242 0.012 12 0 "[ . 1 . 2]" 1
741 1 46 SER QB 1 47 GLN H . . 4.090 3.888 3.752 4.003 . 0 0 "[ . 1 . 2]" 1
742 1 46 SER QB 1 47 GLN HB2 . . 5.000 4.706 4.468 4.889 . 0 0 "[ . 1 . 2]" 1
743 1 47 GLN H 1 47 GLN HB2 . . 3.370 2.759 2.536 2.988 . 0 0 "[ . 1 . 2]" 1
744 1 47 GLN H 1 47 GLN HB3 . . 3.370 2.957 2.804 3.119 . 0 0 "[ . 1 . 2]" 1
745 1 47 GLN H 1 47 GLN QG . . 4.370 4.215 4.023 4.341 . 0 0 "[ . 1 . 2]" 1
746 1 47 GLN H 1 49 VAL H . . 5.500 5.538 5.503 5.661 0.161 9 0 "[ . 1 . 2]" 1
747 1 47 GLN H 1 49 VAL MG2 . . 5.500 5.401 5.131 5.518 0.018 9 0 "[ . 1 . 2]" 1
748 1 47 GLN HA 1 47 GLN QG . . 3.450 2.446 2.288 2.612 . 0 0 "[ . 1 . 2]" 1
749 1 47 GLN HA 1 48 LYS QG . . 4.030 3.680 3.596 3.814 . 0 0 "[ . 1 . 2]" 1
750 1 47 GLN HA 1 49 VAL H . . 4.130 3.922 3.778 4.131 0.001 12 0 "[ . 1 . 2]" 1
751 1 47 GLN HB2 1 48 LYS H . . 4.400 4.309 4.185 4.389 . 0 0 "[ . 1 . 2]" 1
752 1 47 GLN HB2 1 50 ARG H . . 4.370 3.925 3.801 4.009 . 0 0 "[ . 1 . 2]" 1
753 1 47 GLN HB3 1 48 LYS H . . 3.940 3.766 3.576 3.896 . 0 0 "[ . 1 . 2]" 1
754 1 47 GLN QG 1 48 LYS H . . 4.040 2.488 2.145 2.641 . 0 0 "[ . 1 . 2]" 1
755 1 47 GLN QG 1 51 ASN H . . 5.090 5.129 5.097 5.201 0.111 10 0 "[ . 1 . 2]" 1
756 1 48 LYS H 1 48 LYS HB2 . . 3.240 2.578 2.471 2.670 . 0 0 "[ . 1 . 2]" 1
757 1 48 LYS H 1 48 LYS HB3 . . 3.620 3.608 3.589 3.633 0.013 9 0 "[ . 1 . 2]" 1
758 1 48 LYS H 1 48 LYS QD . . 4.270 4.199 4.100 4.269 . 0 0 "[ . 1 . 2]" 1
759 1 48 LYS H 1 48 LYS HG2 . . 4.090 2.713 2.356 3.013 . 0 0 "[ . 1 . 2]" 1
760 1 48 LYS H 1 48 LYS QG . . 3.430 2.316 2.155 2.481 . 0 0 "[ . 1 . 2]" 1
761 1 48 LYS H 1 48 LYS HG3 . . 4.090 2.567 2.240 3.171 . 0 0 "[ . 1 . 2]" 1
762 1 48 LYS H 1 49 VAL H . . 3.280 2.459 2.334 2.571 . 0 0 "[ . 1 . 2]" 1
763 1 48 LYS H 1 49 VAL MG2 . . 4.140 3.630 3.399 3.911 . 0 0 "[ . 1 . 2]" 1
764 1 48 LYS H 1 50 ARG H . . 4.390 3.941 3.872 3.995 . 0 0 "[ . 1 . 2]" 1
765 1 48 LYS HA 1 48 LYS QD . . 4.700 3.662 2.806 3.945 . 0 0 "[ . 1 . 2]" 1
766 1 48 LYS HA 1 48 LYS QG . . 3.740 2.474 2.366 2.555 . 0 0 "[ . 1 . 2]" 1
767 1 48 LYS HA 1 49 VAL H . . 3.520 3.498 3.480 3.521 0.001 12 0 "[ . 1 . 2]" 1
768 1 48 LYS HA 1 49 VAL HA . . 4.920 4.720 4.712 4.744 . 0 0 "[ . 1 . 2]" 1
769 1 48 LYS HA 1 49 VAL MG1 . . 5.500 4.953 4.812 5.079 . 0 0 "[ . 1 . 2]" 1
770 1 48 LYS HA 1 50 ARG H . . 4.500 4.299 4.218 4.461 . 0 0 "[ . 1 . 2]" 1
771 1 48 LYS HA 1 51 ASN H . . 4.150 4.065 3.930 4.149 . 0 0 "[ . 1 . 2]" 1
772 1 48 LYS HA 1 51 ASN HB2 . . 4.930 4.501 4.083 4.780 . 0 0 "[ . 1 . 2]" 1
773 1 48 LYS HA 1 51 ASN HB3 . . 4.730 4.447 4.035 4.712 . 0 0 "[ . 1 . 2]" 1
774 1 48 LYS HB2 1 49 VAL H . . 3.710 2.810 2.689 2.890 . 0 0 "[ . 1 . 2]" 1
775 1 48 LYS HB2 1 49 VAL MG2 . . 4.780 4.257 4.045 4.485 . 0 0 "[ . 1 . 2]" 1
776 1 48 LYS HB3 1 49 VAL H . . 4.080 3.918 3.812 4.001 . 0 0 "[ . 1 . 2]" 1
777 1 48 LYS HG2 1 49 VAL H . . 4.750 4.597 4.420 4.746 . 0 0 "[ . 1 . 2]" 1
778 1 48 LYS HG3 1 49 VAL H . . 4.750 4.320 4.108 4.727 . 0 0 "[ . 1 . 2]" 1
779 1 49 VAL H 1 49 VAL HB . . 3.710 3.624 3.606 3.637 . 0 0 "[ . 1 . 2]" 1
780 1 49 VAL H 1 49 VAL MG1 . . 3.740 2.407 2.188 2.587 . 0 0 "[ . 1 . 2]" 1
781 1 49 VAL H 1 49 VAL MG2 . . 3.060 1.982 1.893 2.160 . 0 0 "[ . 1 . 2]" 1
782 1 49 VAL H 1 50 ARG H . . 3.340 2.442 2.417 2.496 . 0 0 "[ . 1 . 2]" 1
783 1 49 VAL H 1 50 ARG QB . . 4.770 4.182 4.161 4.235 . 0 0 "[ . 1 . 2]" 1
784 1 49 VAL H 1 51 ASN H . . 4.630 4.362 4.206 4.542 . 0 0 "[ . 1 . 2]" 1
785 1 49 VAL HA 1 49 VAL MG1 . . 3.510 2.298 2.168 2.432 . 0 0 "[ . 1 . 2]" 1
786 1 49 VAL HA 1 49 VAL MG2 . . 3.260 3.196 3.189 3.203 . 0 0 "[ . 1 . 2]" 1
787 1 49 VAL HA 1 50 ARG H . . 4.500 3.500 3.489 3.520 . 0 0 "[ . 1 . 2]" 1
788 1 49 VAL HA 1 51 ASN H . . 4.420 4.028 3.830 4.391 . 0 0 "[ . 1 . 2]" 1
789 1 49 VAL HA 1 52 LEU H . . 3.810 3.200 3.044 3.320 . 0 0 "[ . 1 . 2]" 1
790 1 49 VAL HA 1 52 LEU HB2 . . 4.470 3.360 2.718 3.780 . 0 0 "[ . 1 . 2]" 1
791 1 49 VAL HA 1 52 LEU HB3 . . 4.560 3.292 2.836 3.537 . 0 0 "[ . 1 . 2]" 1
792 1 49 VAL HA 1 52 LEU MD1 . . 5.380 4.825 3.552 5.391 0.011 3 0 "[ . 1 . 2]" 1
793 1 49 VAL HA 1 52 LEU QD . . 4.320 3.828 3.237 4.377 0.057 8 0 "[ . 1 . 2]" 1
794 1 49 VAL HA 1 52 LEU MD2 . . 5.380 4.269 3.312 5.463 0.083 14 0 "[ . 1 . 2]" 1
795 1 49 VAL HA 1 53 LEU H . . 4.350 4.181 4.061 4.403 0.053 10 0 "[ . 1 . 2]" 1
796 1 49 VAL HB 1 50 ARG H . . 4.250 3.819 3.723 3.946 . 0 0 "[ . 1 . 2]" 1
797 1 49 VAL HB 1 50 ARG HA . . 4.940 4.521 4.391 4.661 . 0 0 "[ . 1 . 2]" 1
798 1 49 VAL HB 1 52 LEU H . . 4.800 4.713 4.606 4.829 0.029 20 0 "[ . 1 . 2]" 1
799 1 49 VAL HB 1 52 LEU QD . . 4.440 4.360 3.814 4.459 0.019 4 0 "[ . 1 . 2]" 1
800 1 49 VAL HB 1 53 LEU QD . . 5.440 2.329 2.090 3.484 . 0 0 "[ . 1 . 2]" 1
801 1 49 VAL MG1 1 50 ARG H . . 4.330 3.972 3.877 4.071 . 0 0 "[ . 1 . 2]" 1
802 1 49 VAL MG1 1 52 LEU HB2 . . 5.500 4.722 4.236 5.136 . 0 0 "[ . 1 . 2]" 1
803 1 49 VAL MG1 1 52 LEU QD . . 4.730 3.965 3.586 4.632 . 0 0 "[ . 1 . 2]" 1
804 1 49 VAL MG2 1 50 ARG H . . 4.050 2.045 1.910 2.185 . 0 0 "[ . 1 . 2]" 1
805 1 49 VAL MG2 1 53 LEU H . . 5.100 4.562 4.387 4.764 . 0 0 "[ . 1 . 2]" 1
806 1 50 ARG H 1 50 ARG HB2 . . 3.560 2.578 2.484 2.621 . 0 0 "[ . 1 . 2]" 1
807 1 50 ARG H 1 50 ARG HB3 . . 3.560 2.494 2.438 2.597 . 0 0 "[ . 1 . 2]" 1
808 1 50 ARG H 1 50 ARG QD . . 4.480 4.360 4.246 4.485 0.005 20 0 "[ . 1 . 2]" 1
809 1 50 ARG H 1 51 ASN H . . 3.480 2.898 2.781 2.960 . 0 0 "[ . 1 . 2]" 1
810 1 50 ARG H 1 51 ASN HB2 . . 5.500 5.269 4.945 5.502 0.002 20 0 "[ . 1 . 2]" 1
811 1 50 ARG H 1 51 ASN HB3 . . 5.380 5.149 4.983 5.379 . 0 0 "[ . 1 . 2]" 1
812 1 50 ARG H 1 52 LEU H . . 4.460 4.370 3.977 4.547 0.087 19 0 "[ . 1 . 2]" 1
813 1 50 ARG H 1 53 LEU H . . 4.800 4.637 4.559 4.740 . 0 0 "[ . 1 . 2]" 1
814 1 50 ARG H 1 53 LEU QD . . 4.800 3.201 3.008 3.994 . 0 0 "[ . 1 . 2]" 1
815 1 50 ARG H 1 53 LEU HG . . 6.000 6.009 4.489 6.218 0.218 19 0 "[ . 1 . 2]" 1
816 1 50 ARG HA 1 50 ARG HG2 . . 4.120 2.629 2.602 2.682 . 0 0 "[ . 1 . 2]" 1
817 1 50 ARG HA 1 50 ARG HG3 . . 4.120 3.310 3.096 3.407 . 0 0 "[ . 1 . 2]" 1
818 1 50 ARG HA 1 51 ASN H . . 4.000 3.536 3.507 3.563 . 0 0 "[ . 1 . 2]" 1
819 1 50 ARG HA 1 52 LEU H . . 4.820 4.445 4.016 4.741 . 0 0 "[ . 1 . 2]" 1
820 1 50 ARG HA 1 53 LEU H . . 4.490 3.370 3.249 3.536 . 0 0 "[ . 1 . 2]" 1
821 1 50 ARG HA 1 53 LEU QD . . 3.980 1.940 1.874 1.993 . 0 0 "[ . 1 . 2]" 1
822 1 50 ARG HA 1 53 LEU HG . . 4.890 4.232 2.950 4.569 . 0 0 "[ . 1 . 2]" 1
823 1 50 ARG HA 1 54 LEU H . . 5.000 4.341 4.053 4.758 . 0 0 "[ . 1 . 2]" 1
824 1 50 ARG HA 1 54 LEU MD1 . . 5.500 4.299 3.886 5.059 . 0 0 "[ . 1 . 2]" 1
825 1 50 ARG QB 1 51 ASN H . . 3.510 2.601 2.376 2.766 . 0 0 "[ . 1 . 2]" 1
826 1 50 ARG QB 1 53 LEU QD . . 4.490 3.323 3.191 3.701 . 0 0 "[ . 1 . 2]" 1
827 1 50 ARG HB2 1 51 ASN H . . 4.170 3.958 3.815 4.065 . 0 0 "[ . 1 . 2]" 1
828 1 50 ARG HB3 1 51 ASN H . . 4.170 2.638 2.400 2.815 . 0 0 "[ . 1 . 2]" 1
829 1 50 ARG QD 1 51 ASN H . . 4.530 3.729 3.155 4.282 . 0 0 "[ . 1 . 2]" 1
830 1 50 ARG HE 1 51 ASN H . . 4.710 3.192 2.999 3.391 . 0 0 "[ . 1 . 2]" 1
831 1 50 ARG HE 1 51 ASN HB2 . . 4.390 3.557 2.805 3.814 . 0 0 "[ . 1 . 2]" 1
832 1 50 ARG HE 1 51 ASN HB3 . . 4.780 4.602 4.183 4.782 0.002 20 0 "[ . 1 . 2]" 1
833 1 50 ARG HE 1 53 LEU QD . . 5.440 5.134 4.930 5.529 0.089 19 0 "[ . 1 . 2]" 1
834 1 50 ARG QG 1 51 ASN H . . 4.180 3.768 3.590 3.915 . 0 0 "[ . 1 . 2]" 1
835 1 50 ARG QG 1 51 ASN HA . . 4.010 3.842 3.739 3.925 . 0 0 "[ . 1 . 2]" 1
836 1 50 ARG QG 1 53 LEU H . . 5.040 4.675 4.523 4.931 . 0 0 "[ . 1 . 2]" 1
837 1 50 ARG QG 1 53 LEU QB . . 4.050 3.520 3.328 3.851 . 0 0 "[ . 1 . 2]" 1
838 1 50 ARG QG 1 53 LEU QD . . 3.830 3.588 3.377 3.899 0.069 10 0 "[ . 1 . 2]" 1
839 1 50 ARG QG 1 54 LEU MD1 . . 3.380 2.406 1.959 3.195 . 0 0 "[ . 1 . 2]" 1
840 1 51 ASN H 1 51 ASN HB2 . . 3.440 2.514 2.316 2.655 . 0 0 "[ . 1 . 2]" 1
841 1 51 ASN H 1 51 ASN HB3 . . 3.290 2.565 2.417 2.770 . 0 0 "[ . 1 . 2]" 1
842 1 51 ASN H 1 52 LEU H . . 3.290 2.712 2.457 2.873 . 0 0 "[ . 1 . 2]" 1
843 1 51 ASN H 1 54 LEU MD1 . . 4.940 4.489 4.162 4.943 0.003 19 0 "[ . 1 . 2]" 1
844 1 51 ASN HA 1 52 LEU H . . 4.000 3.534 3.471 3.560 . 0 0 "[ . 1 . 2]" 1
845 1 51 ASN HA 1 53 LEU H . . 4.450 4.321 4.190 4.403 . 0 0 "[ . 1 . 2]" 1
846 1 51 ASN HA 1 54 LEU H . . 3.800 3.860 3.777 3.922 0.122 5 0 "[ . 1 . 2]" 1
847 1 51 ASN HA 1 54 LEU HB2 . . 4.140 3.739 3.513 3.897 . 0 0 "[ . 1 . 2]" 1
848 1 51 ASN HA 1 54 LEU HB3 . . 5.500 5.415 5.185 5.526 0.026 18 0 "[ . 1 . 2]" 1
849 1 51 ASN HA 1 54 LEU MD1 . . 3.590 2.762 2.285 3.209 . 0 0 "[ . 1 . 2]" 1
850 1 51 ASN HA 1 54 LEU HG . . 4.660 4.569 4.252 4.708 0.048 19 0 "[ . 1 . 2]" 1
851 1 51 ASN HA 1 55 HIS H . . 4.500 4.347 3.928 4.551 0.051 19 0 "[ . 1 . 2]" 1
852 1 51 ASN HB2 1 52 LEU H . . 4.010 3.850 3.723 4.010 0.000 12 0 "[ . 1 . 2]" 1
853 1 51 ASN HB3 1 52 LEU H . . 3.680 2.592 2.398 2.952 . 0 0 "[ . 1 . 2]" 1
854 1 51 ASN HB3 1 52 LEU HA . . 5.220 4.296 4.121 4.488 . 0 0 "[ . 1 . 2]" 1
855 1 51 ASN HB3 1 52 LEU HB2 . . 4.400 3.988 3.818 4.144 . 0 0 "[ . 1 . 2]" 1
856 1 52 LEU H 1 52 LEU HB2 . . 3.180 2.337 2.180 2.450 . 0 0 "[ . 1 . 2]" 1
857 1 52 LEU H 1 52 LEU HB3 . . 3.250 2.737 2.582 2.979 . 0 0 "[ . 1 . 2]" 1
858 1 52 LEU H 1 52 LEU MD1 . . 4.390 3.957 3.775 4.199 . 0 0 "[ . 1 . 2]" 1
859 1 52 LEU H 1 52 LEU MD2 . . 4.390 4.212 3.932 4.281 . 0 0 "[ . 1 . 2]" 1
860 1 52 LEU H 1 52 LEU HG . . 4.620 4.509 4.110 4.593 . 0 0 "[ . 1 . 2]" 1
861 1 52 LEU H 1 53 LEU H . . 3.500 2.477 2.415 2.575 . 0 0 "[ . 1 . 2]" 1
862 1 52 LEU H 1 53 LEU QD . . 4.550 3.795 3.542 4.583 0.033 16 0 "[ . 1 . 2]" 1
863 1 52 LEU H 1 54 LEU H . . 4.680 4.312 4.154 4.442 . 0 0 "[ . 1 . 2]" 1
864 1 52 LEU H 1 55 HIS H . . 5.080 4.842 4.651 4.980 . 0 0 "[ . 1 . 2]" 1
865 1 52 LEU HA 1 52 LEU MD1 . . 3.920 2.514 1.969 3.779 . 0 0 "[ . 1 . 2]" 1
866 1 52 LEU HA 1 52 LEU QD . . 3.360 2.168 1.914 2.906 . 0 0 "[ . 1 . 2]" 1
867 1 52 LEU HA 1 52 LEU MD2 . . 3.920 3.427 1.930 3.879 . 0 0 "[ . 1 . 2]" 1
868 1 52 LEU HA 1 52 LEU HG . . 3.750 2.875 2.393 3.685 . 0 0 "[ . 1 . 2]" 1
869 1 52 LEU HA 1 53 LEU H . . 3.500 3.491 3.482 3.517 0.017 2 0 "[ . 1 . 2]" 1
870 1 52 LEU HA 1 53 LEU QD . . 5.440 4.818 4.472 5.476 0.036 17 0 "[ . 1 . 2]" 1
871 1 52 LEU HA 1 54 LEU H . . 4.500 4.299 4.151 4.500 0.000 12 0 "[ . 1 . 2]" 1
872 1 52 LEU HA 1 55 HIS H . . 4.040 3.364 3.232 3.513 . 0 0 "[ . 1 . 2]" 1
873 1 52 LEU HA 1 55 HIS HB2 . . 4.060 3.250 2.735 3.599 . 0 0 "[ . 1 . 2]" 1
874 1 52 LEU HA 1 55 HIS QB . . 3.530 2.411 2.160 2.603 . 0 0 "[ . 1 . 2]" 1
875 1 52 LEU HA 1 55 HIS HB3 . . 4.060 2.514 2.205 2.945 . 0 0 "[ . 1 . 2]" 1
876 1 52 LEU HA 1 56 LYS H . . 4.430 3.529 3.296 3.723 . 0 0 "[ . 1 . 2]" 1
877 1 52 LEU HB2 1 53 LEU H . . 4.450 3.786 3.573 3.914 . 0 0 "[ . 1 . 2]" 1
878 1 52 LEU HB2 1 53 LEU HA . . 5.500 5.526 5.367 5.602 0.102 8 0 "[ . 1 . 2]" 1
879 1 52 LEU HB2 1 53 LEU QD . . 5.440 4.400 4.084 5.259 . 0 0 "[ . 1 . 2]" 1
880 1 52 LEU HB3 1 53 LEU H . . 3.580 2.845 2.740 2.974 . 0 0 "[ . 1 . 2]" 1
881 1 52 LEU HB3 1 53 LEU HA . . 4.460 4.024 3.915 4.136 . 0 0 "[ . 1 . 2]" 1
882 1 52 LEU QD 1 53 LEU H . . 4.890 3.995 3.273 4.220 . 0 0 "[ . 1 . 2]" 1
883 1 52 LEU QD 1 53 LEU QD . . 4.940 3.699 2.565 4.527 . 0 0 "[ . 1 . 2]" 1
884 1 52 LEU QD 1 55 HIS QB . . 5.120 2.734 2.341 3.408 . 0 0 "[ . 1 . 2]" 1
885 1 52 LEU QD 1 56 LYS QG . . 3.330 2.299 1.840 2.620 . 0 0 "[ . 1 . 2]" 1
886 1 52 LEU MD1 1 53 LEU HA . . 5.460 5.212 2.973 5.483 0.023 4 0 "[ . 1 . 2]" 1
887 1 52 LEU MD2 1 53 LEU HA . . 5.460 4.726 3.202 5.180 . 0 0 "[ . 1 . 2]" 1
888 1 52 LEU HG 1 56 LYS QG . . 4.130 2.568 1.915 4.133 0.003 8 0 "[ . 1 . 2]" 1
889 1 53 LEU H 1 53 LEU HB2 . . 3.800 2.196 2.146 2.368 . 0 0 "[ . 1 . 2]" 1
890 1 53 LEU H 1 53 LEU QB . . 3.300 2.174 2.127 2.336 . 0 0 "[ . 1 . 2]" 1
891 1 53 LEU H 1 53 LEU HB3 . . 3.800 3.499 3.468 3.567 . 0 0 "[ . 1 . 2]" 1
892 1 53 LEU H 1 53 LEU MD1 . . 4.410 2.463 2.119 3.600 . 0 0 "[ . 1 . 2]" 1
893 1 53 LEU H 1 53 LEU QD . . 3.790 2.346 2.093 3.193 . 0 0 "[ . 1 . 2]" 1
894 1 53 LEU H 1 53 LEU MD2 . . 4.410 3.559 2.172 4.264 . 0 0 "[ . 1 . 2]" 1
895 1 53 LEU H 1 53 LEU HG . . 4.500 3.840 2.458 4.229 . 0 0 "[ . 1 . 2]" 1
896 1 53 LEU H 1 54 LEU H . . 3.500 2.751 2.701 2.835 . 0 0 "[ . 1 . 2]" 1
897 1 53 LEU H 1 54 LEU HA . . 5.450 5.351 5.311 5.409 . 0 0 "[ . 1 . 2]" 1
898 1 53 LEU H 1 55 HIS H . . 4.430 4.206 3.862 4.377 . 0 0 "[ . 1 . 2]" 1
899 1 53 LEU HA 1 53 LEU QD . . 3.840 2.222 1.900 2.916 . 0 0 "[ . 1 . 2]" 1
900 1 53 LEU HA 1 53 LEU HG . . 4.090 2.749 2.268 3.630 . 0 0 "[ . 1 . 2]" 1
901 1 53 LEU HA 1 54 LEU H . . 4.000 3.543 3.532 3.557 . 0 0 "[ . 1 . 2]" 1
902 1 53 LEU HA 1 54 LEU HA . . 4.960 4.708 4.695 4.733 . 0 0 "[ . 1 . 2]" 1
903 1 53 LEU HA 1 55 HIS H . . 5.000 4.807 4.356 4.972 . 0 0 "[ . 1 . 2]" 1
904 1 53 LEU HA 1 56 LYS H . . 4.000 3.986 3.855 4.062 0.062 19 0 "[ . 1 . 2]" 1
905 1 53 LEU HA 1 56 LYS HB2 . . 4.160 3.268 2.934 3.508 . 0 0 "[ . 1 . 2]" 1
906 1 53 LEU HA 1 56 LYS HB3 . . 5.500 4.690 4.357 5.016 . 0 0 "[ . 1 . 2]" 1
907 1 53 LEU QB 1 54 LEU H . . 4.030 2.597 2.470 2.667 . 0 0 "[ . 1 . 2]" 1
908 1 53 LEU QB 1 54 LEU HA . . 4.760 3.835 3.804 3.873 . 0 0 "[ . 1 . 2]" 1
909 1 53 LEU QD 1 54 LEU H . . 5.160 3.905 3.817 4.038 . 0 0 "[ . 1 . 2]" 1
910 1 54 LEU H 1 54 LEU HB2 . . 3.350 2.496 2.365 2.646 . 0 0 "[ . 1 . 2]" 1
911 1 54 LEU H 1 54 LEU HB3 . . 3.610 3.600 3.578 3.607 . 0 0 "[ . 1 . 2]" 1
912 1 54 LEU H 1 54 LEU MD1 . . 3.530 3.081 2.536 3.399 . 0 0 "[ . 1 . 2]" 1
913 1 54 LEU H 1 54 LEU HG . . 3.440 2.381 2.233 2.618 . 0 0 "[ . 1 . 2]" 1
914 1 54 LEU H 1 55 HIS H . . 3.480 2.549 2.439 2.647 . 0 0 "[ . 1 . 2]" 1
915 1 54 LEU H 1 55 HIS HB2 . . 5.220 4.761 4.446 5.050 . 0 0 "[ . 1 . 2]" 1
916 1 54 LEU H 1 55 HIS QB . . 4.460 4.267 4.210 4.338 . 0 0 "[ . 1 . 2]" 1
917 1 54 LEU H 1 55 HIS HB3 . . 5.220 4.852 4.567 5.209 . 0 0 "[ . 1 . 2]" 1
918 1 54 LEU H 1 57 GLY H . . 4.980 4.508 4.382 4.667 . 0 0 "[ . 1 . 2]" 1
919 1 54 LEU HA 1 54 LEU MD2 . . 3.050 2.582 2.233 2.956 . 0 0 "[ . 1 . 2]" 1
920 1 54 LEU HA 1 54 LEU HG . . 3.490 2.819 2.647 2.991 . 0 0 "[ . 1 . 2]" 1
921 1 54 LEU HA 1 55 HIS H . . 4.000 3.546 3.487 3.563 . 0 0 "[ . 1 . 2]" 1
922 1 54 LEU HA 1 56 LYS H . . 4.820 4.511 4.193 4.679 . 0 0 "[ . 1 . 2]" 1
923 1 54 LEU HA 1 57 GLY H . . 4.200 3.349 3.214 3.520 . 0 0 "[ . 1 . 2]" 1
924 1 54 LEU HA 1 58 LYS H . . 4.500 3.909 3.643 4.444 . 0 0 "[ . 1 . 2]" 1
925 1 54 LEU HB2 1 54 LEU MD1 . . 3.290 2.066 1.953 2.231 . 0 0 "[ . 1 . 2]" 1
926 1 54 LEU HB2 1 54 LEU MD2 . . 3.580 3.099 2.978 3.166 . 0 0 "[ . 1 . 2]" 1
927 1 54 LEU HB2 1 55 HIS H . . 3.650 2.478 2.341 2.848 . 0 0 "[ . 1 . 2]" 1
928 1 54 LEU HB2 1 55 HIS HA . . 4.670 4.183 4.052 4.312 . 0 0 "[ . 1 . 2]" 1
929 1 54 LEU HB3 1 54 LEU MD2 . . 3.320 2.110 1.989 2.279 . 0 0 "[ . 1 . 2]" 1
930 1 54 LEU HB3 1 55 HIS H . . 3.870 3.588 3.337 3.876 0.006 17 0 "[ . 1 . 2]" 1
931 1 54 LEU MD1 1 55 HIS H . . 4.320 3.990 3.657 4.317 . 0 0 "[ . 1 . 2]" 1
932 1 54 LEU HG 1 55 HIS H . . 4.550 4.327 4.207 4.480 . 0 0 "[ . 1 . 2]" 1
933 1 55 HIS H 1 55 HIS HB2 . . 3.300 2.393 2.145 2.669 . 0 0 "[ . 1 . 2]" 1
934 1 55 HIS H 1 55 HIS HB3 . . 3.300 2.691 2.424 3.014 . 0 0 "[ . 1 . 2]" 1
935 1 55 HIS H 1 55 HIS HD2 . . 5.190 4.908 4.330 5.149 . 0 0 "[ . 1 . 2]" 1
936 1 55 HIS H 1 56 LYS H . . 3.500 2.788 2.618 2.872 . 0 0 "[ . 1 . 2]" 1
937 1 55 HIS H 1 57 GLY H . . 4.550 3.941 3.736 4.115 . 0 0 "[ . 1 . 2]" 1
938 1 55 HIS H 1 58 LYS H . . 5.120 4.901 4.676 5.206 0.086 5 0 "[ . 1 . 2]" 1
939 1 55 HIS HA 1 56 LYS H . . 4.500 3.548 3.510 3.561 . 0 0 "[ . 1 . 2]" 1
940 1 55 HIS HA 1 57 GLY H . . 4.760 4.295 3.994 4.558 . 0 0 "[ . 1 . 2]" 1
941 1 55 HIS HA 1 58 LYS H . . 4.000 3.861 3.619 4.023 0.023 19 0 "[ . 1 . 2]" 1
942 1 55 HIS HA 1 58 LYS QB . . 4.440 3.991 3.076 4.651 0.211 14 0 "[ . 1 . 2]" 1
943 1 55 HIS HA 1 58 LYS QD . . 4.210 2.991 1.917 3.450 . 0 0 "[ . 1 . 2]" 1
944 1 55 HIS HA 1 59 GLU H . . 5.000 4.461 4.336 4.608 . 0 0 "[ . 1 . 2]" 1
945 1 55 HIS QB 1 56 LYS H . . 3.490 2.458 2.362 2.693 . 0 0 "[ . 1 . 2]" 1
946 1 55 HIS HB2 1 56 LYS H . . 4.010 3.721 3.391 3.870 . 0 0 "[ . 1 . 2]" 1
947 1 55 HIS HB3 1 56 LYS H . . 4.010 2.496 2.386 2.748 . 0 0 "[ . 1 . 2]" 1
948 1 56 LYS H 1 56 LYS HB2 . . 3.970 2.256 2.096 2.449 . 0 0 "[ . 1 . 2]" 1
949 1 56 LYS H 1 56 LYS QG . . 3.440 2.752 2.300 3.168 . 0 0 "[ . 1 . 2]" 1
950 1 56 LYS H 1 57 GLY H . . 3.500 2.506 2.449 2.583 . 0 0 "[ . 1 . 2]" 1
951 1 56 LYS H 1 59 GLU QB . . 4.930 4.621 4.338 4.927 . 0 0 "[ . 1 . 2]" 1
952 1 56 LYS HA 1 57 GLY H . . 4.500 3.487 3.435 3.528 . 0 0 "[ . 1 . 2]" 1
953 1 56 LYS HA 1 58 LYS H . . 5.000 4.620 4.274 4.823 . 0 0 "[ . 1 . 2]" 1
954 1 56 LYS HA 1 58 LYS QD . . 4.470 4.465 4.210 4.540 0.070 9 0 "[ . 1 . 2]" 1
955 1 56 LYS HA 1 59 GLU H . . 4.180 3.474 3.219 3.639 . 0 0 "[ . 1 . 2]" 1
956 1 56 LYS HA 1 59 GLU HB2 . . 4.120 2.761 2.041 3.580 . 0 0 "[ . 1 . 2]" 1
957 1 56 LYS HA 1 59 GLU QB . . 3.570 2.373 2.028 2.600 . 0 0 "[ . 1 . 2]" 1
958 1 56 LYS HA 1 59 GLU HB3 . . 4.120 3.299 2.127 4.101 . 0 0 "[ . 1 . 2]" 1
959 1 56 LYS HA 1 59 GLU HG2 . . 4.600 4.315 3.698 4.631 0.031 20 0 "[ . 1 . 2]" 1
960 1 56 LYS HA 1 59 GLU HG3 . . 4.600 3.955 3.055 4.631 0.031 20 0 "[ . 1 . 2]" 1
961 1 56 LYS HA 1 60 VAL H . . 4.160 3.717 3.360 4.104 . 0 0 "[ . 1 . 2]" 1
962 1 56 LYS HB2 1 57 GLY H . . 4.270 2.998 2.733 3.306 . 0 0 "[ . 1 . 2]" 1
963 1 56 LYS HB3 1 57 GLY H . . 4.120 3.626 3.181 3.935 . 0 0 "[ . 1 . 2]" 1
964 1 56 LYS HB3 1 60 VAL H . . 4.960 4.619 4.139 4.962 0.002 8 0 "[ . 1 . 2]" 1
965 1 57 GLY H 1 58 LYS H . . 3.500 2.706 2.596 2.914 . 0 0 "[ . 1 . 2]" 1
966 1 57 GLY H 1 58 LYS QD . . 5.000 4.701 3.501 5.087 0.087 20 0 "[ . 1 . 2]" 1
967 1 57 GLY H 1 60 VAL H . . 4.980 4.895 4.772 4.992 0.012 11 0 "[ . 1 . 2]" 1
968 1 57 GLY H 1 60 VAL QG . . 4.420 4.023 3.756 4.189 . 0 0 "[ . 1 . 2]" 1
969 1 57 GLY QA 1 58 LYS H . . 3.500 2.642 2.584 2.761 . 0 0 "[ . 1 . 2]" 1
970 1 57 GLY QA 1 58 LYS QD . . 5.220 4.954 4.021 5.250 0.030 18 0 "[ . 1 . 2]" 1
971 1 57 GLY QA 1 59 GLU H . . 5.080 3.777 3.605 3.977 . 0 0 "[ . 1 . 2]" 1
972 1 57 GLY QA 1 60 VAL QG . . 3.830 2.258 2.061 2.615 . 0 0 "[ . 1 . 2]" 1
973 1 57 GLY QA 1 61 LEU H . . 4.430 4.242 3.975 4.485 0.055 2 0 "[ . 1 . 2]" 1
974 1 57 GLY QA 1 61 LEU QD . . 4.430 3.236 2.984 3.495 . 0 0 "[ . 1 . 2]" 1
975 1 58 LYS H 1 58 LYS QB . . 3.500 2.344 2.077 2.620 . 0 0 "[ . 1 . 2]" 1
976 1 58 LYS H 1 58 LYS QD . . 4.140 3.057 1.907 3.556 . 0 0 "[ . 1 . 2]" 1
977 1 58 LYS H 1 58 LYS QG . . 4.290 2.890 1.858 3.956 . 0 0 "[ . 1 . 2]" 1
978 1 58 LYS H 1 59 GLU QB . . 4.840 4.288 4.189 4.436 . 0 0 "[ . 1 . 2]" 1
979 1 58 LYS H 1 60 VAL H . . 5.030 4.637 4.393 4.773 . 0 0 "[ . 1 . 2]" 1
980 1 58 LYS H 1 60 VAL QG . . 4.550 4.183 3.933 4.349 . 0 0 "[ . 1 . 2]" 1
981 1 58 LYS H 1 61 LEU H . . 5.500 4.962 4.776 5.051 . 0 0 "[ . 1 . 2]" 1
982 1 58 LYS HA 1 58 LYS QD . . 4.090 3.716 3.641 3.964 . 0 0 "[ . 1 . 2]" 1
983 1 58 LYS HA 1 58 LYS QG . . 3.940 3.226 2.862 3.433 . 0 0 "[ . 1 . 2]" 1
984 1 58 LYS HA 1 59 GLU H . . 3.500 3.451 3.414 3.501 0.001 18 0 "[ . 1 . 2]" 1
985 1 58 LYS HA 1 60 VAL QG . . 4.760 4.251 4.061 4.430 . 0 0 "[ . 1 . 2]" 1
986 1 58 LYS HA 1 61 LEU H . . 4.000 3.742 3.606 3.831 . 0 0 "[ . 1 . 2]" 1
987 1 58 LYS HA 1 61 LEU QB . . 4.170 2.678 2.469 2.844 . 0 0 "[ . 1 . 2]" 1
988 1 58 LYS HA 1 61 LEU QD . . 4.250 2.764 1.967 3.756 . 0 0 "[ . 1 . 2]" 1
989 1 58 LYS HA 1 62 GLU H . . 4.580 4.376 4.178 4.606 0.026 18 0 "[ . 1 . 2]" 1
990 1 58 LYS QB 1 59 GLU H . . 3.880 3.445 3.029 3.654 . 0 0 "[ . 1 . 2]" 1
991 1 58 LYS QB 1 60 VAL QG . . 5.440 5.110 4.847 5.331 . 0 0 "[ . 1 . 2]" 1
992 1 58 LYS QD 1 59 GLU H . . 4.410 2.483 2.225 2.962 . 0 0 "[ . 1 . 2]" 1
993 1 58 LYS QD 1 59 GLU HA . . 4.420 2.847 2.410 4.509 0.089 5 0 "[ . 1 . 2]" 1
994 1 58 LYS QG 1 59 GLU H . . 5.470 3.025 2.543 3.629 . 0 0 "[ . 1 . 2]" 1
995 1 59 GLU H 1 59 GLU HB2 . . 3.650 2.344 2.107 2.731 . 0 0 "[ . 1 . 2]" 1
996 1 59 GLU H 1 59 GLU QB . . 3.140 2.182 2.086 2.268 . 0 0 "[ . 1 . 2]" 1
997 1 59 GLU H 1 59 GLU HB3 . . 3.650 3.092 2.393 3.539 . 0 0 "[ . 1 . 2]" 1
998 1 59 GLU H 1 59 GLU HG2 . . 4.800 3.741 2.738 4.641 . 0 0 "[ . 1 . 2]" 1
999 1 59 GLU H 1 59 GLU QG . . 4.050 3.387 2.680 4.046 . 0 0 "[ . 1 . 2]" 1
1000 1 59 GLU H 1 59 GLU HG3 . . 4.800 4.049 3.263 4.520 . 0 0 "[ . 1 . 2]" 1
1001 1 59 GLU H 1 60 VAL H . . 3.500 2.709 2.658 2.841 . 0 0 "[ . 1 . 2]" 1
1002 1 59 GLU H 1 60 VAL QG . . 4.380 3.468 3.364 3.617 . 0 0 "[ . 1 . 2]" 1
1003 1 59 GLU H 1 61 LEU H . . 4.310 3.758 3.692 3.896 . 0 0 "[ . 1 . 2]" 1
1004 1 59 GLU HA 1 59 GLU HG2 . . 3.930 2.886 2.208 3.798 . 0 0 "[ . 1 . 2]" 1
1005 1 59 GLU HA 1 59 GLU QG . . 3.420 2.618 2.186 3.114 . 0 0 "[ . 1 . 2]" 1
1006 1 59 GLU HA 1 59 GLU HG3 . . 3.930 3.403 2.335 3.676 . 0 0 "[ . 1 . 2]" 1
1007 1 59 GLU HA 1 60 VAL H . . 3.800 3.570 3.567 3.571 . 0 0 "[ . 1 . 2]" 1
1008 1 59 GLU HA 1 60 VAL HA . . 5.030 4.828 4.815 4.843 . 0 0 "[ . 1 . 2]" 1
1009 1 59 GLU HA 1 61 LEU H . . 4.000 4.073 4.040 4.108 0.108 2 0 "[ . 1 . 2]" 1
1010 1 59 GLU QB 1 60 VAL H . . 3.510 2.297 2.158 2.416 . 0 0 "[ . 1 . 2]" 1
1011 1 59 GLU QB 1 60 VAL HA . . 4.890 3.846 3.648 4.165 . 0 0 "[ . 1 . 2]" 1
1012 1 59 GLU QB 1 61 LEU H . . 4.730 4.332 4.288 4.422 . 0 0 "[ . 1 . 2]" 1
1013 1 59 GLU HB2 1 60 VAL H . . 4.040 2.954 2.387 3.708 . 0 0 "[ . 1 . 2]" 1
1014 1 59 GLU HB2 1 61 LEU H . . 5.500 5.035 4.699 5.496 . 0 0 "[ . 1 . 2]" 1
1015 1 59 GLU HB3 1 60 VAL H . . 4.040 2.584 2.174 3.026 . 0 0 "[ . 1 . 2]" 1
1016 1 59 GLU HB3 1 61 LEU H . . 5.500 4.783 4.577 5.009 . 0 0 "[ . 1 . 2]" 1
1017 1 59 GLU QG 1 60 VAL H . . 4.610 3.813 2.994 4.241 . 0 0 "[ . 1 . 2]" 1
1018 1 60 VAL H 1 60 VAL HB . . 3.900 3.396 2.450 3.617 . 0 0 "[ . 1 . 2]" 1
1019 1 60 VAL H 1 60 VAL MG1 . . 3.900 2.114 1.923 2.290 . 0 0 "[ . 1 . 2]" 1
1020 1 60 VAL H 1 60 VAL QG . . 3.190 1.950 1.810 2.197 . 0 0 "[ . 1 . 2]" 1
1021 1 60 VAL H 1 60 VAL MG2 . . 3.900 2.513 2.051 3.766 . 0 0 "[ . 1 . 2]" 1
1022 1 60 VAL H 1 61 LEU H . . 3.500 2.777 2.758 2.791 . 0 0 "[ . 1 . 2]" 1
1023 1 60 VAL H 1 61 LEU HA . . 5.500 5.357 5.342 5.376 . 0 0 "[ . 1 . 2]" 1
1024 1 60 VAL H 1 61 LEU QD . . 4.800 4.409 4.065 4.815 0.015 12 0 "[ . 1 . 2]" 1
1025 1 60 VAL H 1 63 TRP H . . 4.820 4.692 4.613 4.727 . 0 0 "[ . 1 . 2]" 1
1026 1 60 VAL HA 1 61 LEU H . . 3.500 3.493 3.490 3.496 . 0 0 "[ . 1 . 2]" 1
1027 1 60 VAL HA 1 62 GLU H . . 4.800 4.569 4.274 4.783 . 0 0 "[ . 1 . 2]" 1
1028 1 60 VAL HA 1 63 TRP H . . 3.500 3.446 3.256 3.534 0.034 6 0 "[ . 1 . 2]" 1
1029 1 60 VAL HA 1 63 TRP HA . . 5.370 5.267 4.922 5.427 0.057 16 0 "[ . 1 . 2]" 1
1030 1 60 VAL HA 1 63 TRP HB2 . . 4.240 3.090 2.140 3.754 . 0 0 "[ . 1 . 2]" 1
1031 1 60 VAL HA 1 63 TRP QB . . 3.720 2.478 2.082 2.742 . 0 0 "[ . 1 . 2]" 1
1032 1 60 VAL HA 1 63 TRP HB3 . . 4.240 2.815 2.120 3.517 . 0 0 "[ . 1 . 2]" 1
1033 1 60 VAL HA 1 64 ALA H . . 4.330 3.634 3.406 3.902 . 0 0 "[ . 1 . 2]" 1
1034 1 60 VAL HA 1 64 ALA MB . . 4.750 4.307 4.067 4.596 . 0 0 "[ . 1 . 2]" 1
1035 1 60 VAL HB 1 61 LEU H . . 4.790 3.923 3.812 4.073 . 0 0 "[ . 1 . 2]" 1
1036 1 60 VAL HB 1 63 TRP H . . 5.500 5.416 5.334 5.563 0.063 1 0 "[ . 1 . 2]" 1
1037 1 60 VAL HB 1 64 ALA H . . 5.500 4.874 4.523 5.530 0.030 18 0 "[ . 1 . 2]" 1
1038 1 60 VAL QG 1 61 LEU H . . 3.310 2.156 1.935 2.227 . 0 0 "[ . 1 . 2]" 1
1039 1 60 VAL QG 1 61 LEU QB . . 4.580 3.370 3.119 3.597 . 0 0 "[ . 1 . 2]" 1
1040 1 60 VAL QG 1 62 GLU H . . 4.760 4.224 4.048 4.371 . 0 0 "[ . 1 . 2]" 1
1041 1 60 VAL QG 1 63 TRP H . . 5.340 4.412 4.088 4.511 . 0 0 "[ . 1 . 2]" 1
1042 1 60 VAL QG 1 64 ALA H . . 5.440 4.290 3.283 4.681 . 0 0 "[ . 1 . 2]" 1
1043 1 60 VAL QG 1 64 ALA MB . . 5.260 3.796 2.795 4.277 . 0 0 "[ . 1 . 2]" 1
1044 1 60 VAL MG1 1 61 LEU H . . 4.730 3.583 1.987 4.034 . 0 0 "[ . 1 . 2]" 1
1045 1 60 VAL MG2 1 61 LEU H . . 4.730 2.479 1.940 3.822 . 0 0 "[ . 1 . 2]" 1
1046 1 61 LEU H 1 61 LEU HB2 . . 3.860 2.194 2.065 2.459 . 0 0 "[ . 1 . 2]" 1
1047 1 61 LEU H 1 61 LEU QB . . 3.150 2.171 2.047 2.419 . 0 0 "[ . 1 . 2]" 1
1048 1 61 LEU H 1 61 LEU HB3 . . 3.860 3.457 3.307 3.595 . 0 0 "[ . 1 . 2]" 1
1049 1 61 LEU H 1 61 LEU QD . . 4.060 2.697 2.265 3.218 . 0 0 "[ . 1 . 2]" 1
1050 1 61 LEU H 1 61 LEU HG . . 4.090 3.551 2.367 4.183 0.093 9 0 "[ . 1 . 2]" 1
1051 1 61 LEU H 1 62 GLU H . . 3.840 2.628 2.473 2.737 . 0 0 "[ . 1 . 2]" 1
1052 1 61 LEU H 1 62 GLU QB . . 5.340 4.597 4.289 5.034 . 0 0 "[ . 1 . 2]" 1
1053 1 61 LEU H 1 62 GLU QG . . 5.340 4.586 3.848 5.316 . 0 0 "[ . 1 . 2]" 1
1054 1 61 LEU H 1 63 TRP H . . 4.400 3.799 3.731 3.894 . 0 0 "[ . 1 . 2]" 1
1055 1 61 LEU H 1 64 ALA H . . 5.460 4.624 4.458 4.808 . 0 0 "[ . 1 . 2]" 1
1056 1 61 LEU H 1 64 ALA MB . . 5.170 4.713 4.515 5.015 . 0 0 "[ . 1 . 2]" 1
1057 1 61 LEU HA 1 61 LEU MD1 . . 4.150 2.982 2.224 3.926 . 0 0 "[ . 1 . 2]" 1
1058 1 61 LEU HA 1 61 LEU QD . . 3.030 2.382 1.878 2.705 . 0 0 "[ . 1 . 2]" 1
1059 1 61 LEU HA 1 61 LEU MD2 . . 4.150 3.034 2.014 3.768 . 0 0 "[ . 1 . 2]" 1
1060 1 61 LEU HA 1 61 LEU HG . . 3.730 2.743 2.214 3.657 . 0 0 "[ . 1 . 2]" 1
1061 1 61 LEU HA 1 62 GLU H . . 4.500 3.547 3.503 3.567 . 0 0 "[ . 1 . 2]" 1
1062 1 61 LEU HA 1 64 ALA H . . 4.370 3.760 3.561 4.096 . 0 0 "[ . 1 . 2]" 1
1063 1 61 LEU HA 1 64 ALA MB . . 3.760 2.910 2.624 3.395 . 0 0 "[ . 1 . 2]" 1
1064 1 61 LEU HA 1 65 GLU QG . . 5.340 4.279 3.982 4.707 . 0 0 "[ . 1 . 2]" 1
1065 1 61 LEU QB 1 61 LEU QD . . 2.790 1.893 1.802 2.014 . 0 0 "[ . 1 . 2]" 1
1066 1 61 LEU QB 1 62 GLU H . . 3.500 2.555 2.329 2.836 . 0 0 "[ . 1 . 2]" 1
1067 1 61 LEU HB2 1 62 GLU H . . 4.270 2.745 2.381 3.174 . 0 0 "[ . 1 . 2]" 1
1068 1 61 LEU HB3 1 62 GLU H . . 4.270 3.161 2.775 3.706 . 0 0 "[ . 1 . 2]" 1
1069 1 61 LEU QD 1 62 GLU H . . 5.230 3.959 3.825 4.174 . 0 0 "[ . 1 . 2]" 1
1070 1 61 LEU QD 1 64 ALA MB . . 4.260 4.031 3.492 4.297 0.037 16 0 "[ . 1 . 2]" 1
1071 1 62 GLU H 1 62 GLU QB . . 3.350 2.311 2.123 2.611 . 0 0 "[ . 1 . 2]" 1
1072 1 62 GLU H 1 62 GLU HG2 . . 4.200 2.935 2.080 3.977 . 0 0 "[ . 1 . 2]" 1
1073 1 62 GLU H 1 62 GLU QG . . 3.530 2.635 2.049 3.133 . 0 0 "[ . 1 . 2]" 1
1074 1 62 GLU H 1 62 GLU HG3 . . 4.200 3.291 2.842 3.844 . 0 0 "[ . 1 . 2]" 1
1075 1 62 GLU H 1 63 TRP H . . 3.500 2.475 2.363 2.563 . 0 0 "[ . 1 . 2]" 1
1076 1 62 GLU H 1 63 TRP HA . . 5.230 5.111 4.995 5.194 . 0 0 "[ . 1 . 2]" 1
1077 1 62 GLU H 1 64 ALA MB . . 5.430 4.887 4.692 5.144 . 0 0 "[ . 1 . 2]" 1
1078 1 62 GLU H 1 65 GLU H . . 5.220 4.990 4.889 5.130 . 0 0 "[ . 1 . 2]" 1
1079 1 62 GLU HA 1 62 GLU HG2 . . 4.200 2.773 2.082 3.810 . 0 0 "[ . 1 . 2]" 1
1080 1 62 GLU HA 1 62 GLU QG . . 3.610 2.607 2.061 3.340 . 0 0 "[ . 1 . 2]" 1
1081 1 62 GLU HA 1 62 GLU HG3 . . 4.200 3.502 2.865 3.725 . 0 0 "[ . 1 . 2]" 1
1082 1 62 GLU HA 1 65 GLU H . . 4.050 3.678 3.536 3.815 . 0 0 "[ . 1 . 2]" 1
1083 1 62 GLU HA 1 65 GLU HB2 . . 3.850 3.069 2.702 3.410 . 0 0 "[ . 1 . 2]" 1
1084 1 62 GLU HA 1 65 GLU QG . . 5.340 3.272 2.947 3.779 . 0 0 "[ . 1 . 2]" 1
1085 1 62 GLU QB 1 63 TRP H . . 3.480 3.065 2.799 3.536 0.056 13 0 "[ . 1 . 2]" 1
1086 1 62 GLU QB 1 63 TRP HA . . 4.370 4.053 3.885 4.380 0.010 6 0 "[ . 1 . 2]" 1
1087 1 62 GLU HB2 1 63 TRP H . . 4.030 3.276 2.925 3.905 . 0 0 "[ . 1 . 2]" 1
1088 1 62 GLU HB3 1 63 TRP H . . 4.030 3.734 3.459 4.042 0.012 13 0 "[ . 1 . 2]" 1
1089 1 62 GLU QG 1 63 TRP H . . 4.520 3.742 2.212 4.478 . 0 0 "[ . 1 . 2]" 1
1090 1 62 GLU HG2 1 63 TRP H . . 5.280 4.268 2.851 5.143 . 0 0 "[ . 1 . 2]" 1
1091 1 62 GLU HG3 1 63 TRP H . . 5.280 4.215 2.305 5.243 . 0 0 "[ . 1 . 2]" 1
1092 1 63 TRP H 1 63 TRP HB2 . . 3.600 2.361 2.099 2.678 . 0 0 "[ . 1 . 2]" 1
1093 1 63 TRP H 1 63 TRP HB3 . . 3.600 2.841 2.441 3.443 . 0 0 "[ . 1 . 2]" 1
1094 1 63 TRP H 1 64 ALA H . . 3.500 2.566 2.465 2.718 . 0 0 "[ . 1 . 2]" 1
1095 1 63 TRP H 1 64 ALA MB . . 4.260 4.141 4.076 4.264 0.004 18 0 "[ . 1 . 2]" 1
1096 1 63 TRP H 1 65 GLU H . . 4.630 3.933 3.782 4.076 . 0 0 "[ . 1 . 2]" 1
1097 1 63 TRP HA 1 64 ALA H . . 4.000 3.546 3.499 3.568 . 0 0 "[ . 1 . 2]" 1
1098 1 63 TRP HA 1 64 ALA HA . . 5.100 4.831 4.791 4.863 . 0 0 "[ . 1 . 2]" 1
1099 1 63 TRP HA 1 65 GLU H . . 4.000 4.034 4.003 4.084 0.084 18 0 "[ . 1 . 2]" 1
1100 1 63 TRP HA 1 66 HIS H . . 3.500 3.263 3.141 3.347 . 0 0 "[ . 1 . 2]" 1
1101 1 63 TRP HA 1 66 HIS QB . . 4.090 2.452 2.255 2.620 . 0 0 "[ . 1 . 2]" 1
1102 1 63 TRP HA 1 66 HIS HD2 . . 4.560 3.579 3.159 4.565 0.005 19 0 "[ . 1 . 2]" 1
1103 1 63 TRP QB 1 64 ALA MB . . 4.620 3.860 3.703 4.005 . 0 0 "[ . 1 . 2]" 1
1104 1 63 TRP HB2 1 64 ALA H . . 4.170 3.508 2.744 3.958 . 0 0 "[ . 1 . 2]" 1
1105 1 63 TRP HB3 1 64 ALA H . . 4.170 2.628 2.345 3.104 . 0 0 "[ . 1 . 2]" 1
1106 1 64 ALA H 1 64 ALA MB . . 3.180 2.132 2.045 2.235 . 0 0 "[ . 1 . 2]" 1
1107 1 64 ALA H 1 65 GLU H . . 3.870 2.715 2.585 2.791 . 0 0 "[ . 1 . 2]" 1
1108 1 64 ALA H 1 65 GLU HB2 . . 5.070 4.866 4.694 5.081 0.011 16 0 "[ . 1 . 2]" 1
1109 1 64 ALA H 1 65 GLU QG . . 5.280 4.511 4.298 4.711 . 0 0 "[ . 1 . 2]" 1
1110 1 64 ALA H 1 66 HIS H . . 4.730 4.061 4.011 4.141 . 0 0 "[ . 1 . 2]" 1
1111 1 64 ALA H 1 66 HIS QB . . 4.780 4.775 4.732 4.800 0.020 20 0 "[ . 1 . 2]" 1
1112 1 64 ALA HA 1 65 GLU H . . 4.500 3.497 3.485 3.511 . 0 0 "[ . 1 . 2]" 1
1113 1 64 ALA HA 1 67 LEU H . . 4.280 3.832 3.732 4.016 . 0 0 "[ . 1 . 2]" 1
1114 1 64 ALA HA 1 67 LEU HB3 . . 4.980 4.572 4.324 4.985 0.005 6 0 "[ . 1 . 2]" 1
1115 1 64 ALA HA 1 67 LEU MD1 . . 6.020 4.190 3.646 4.453 . 0 0 "[ . 1 . 2]" 1
1116 1 64 ALA HA 1 67 LEU MD2 . . 6.020 2.231 2.092 2.610 . 0 0 "[ . 1 . 2]" 1
1117 1 64 ALA HA 1 68 ALA H . . 4.720 4.325 4.077 4.726 0.006 18 0 "[ . 1 . 2]" 1
1118 1 64 ALA MB 1 65 GLU H . . 3.860 2.821 2.685 2.892 . 0 0 "[ . 1 . 2]" 1
1119 1 64 ALA MB 1 65 GLU HG2 . . 4.290 3.919 3.508 4.295 0.005 16 0 "[ . 1 . 2]" 1
1120 1 64 ALA MB 1 65 GLU QG . . 3.530 3.432 3.034 3.531 0.001 7 0 "[ . 1 . 2]" 1
1121 1 64 ALA MB 1 65 GLU HG3 . . 4.290 3.897 3.102 4.291 0.001 17 0 "[ . 1 . 2]" 1
1122 1 64 ALA MB 1 66 HIS H . . 4.600 4.411 4.383 4.493 . 0 0 "[ . 1 . 2]" 1
1123 1 65 GLU H 1 65 GLU HB2 . . 3.620 2.375 2.302 2.498 . 0 0 "[ . 1 . 2]" 1
1124 1 65 GLU H 1 65 GLU QG . . 3.500 2.593 2.237 2.775 . 0 0 "[ . 1 . 2]" 1
1125 1 65 GLU H 1 66 HIS H . . 3.670 2.441 2.432 2.458 . 0 0 "[ . 1 . 2]" 1
1126 1 65 GLU H 1 67 LEU H . . 4.800 4.543 4.460 4.671 . 0 0 "[ . 1 . 2]" 1
1127 1 65 GLU H 1 68 ALA MB . . 4.410 4.402 4.293 4.503 0.093 18 0 "[ . 1 . 2]" 1
1128 1 65 GLU HA 1 65 GLU HG2 . . 4.180 2.352 2.243 2.719 . 0 0 "[ . 1 . 2]" 1
1129 1 65 GLU HA 1 65 GLU QG . . 3.370 2.299 2.217 2.505 . 0 0 "[ . 1 . 2]" 1
1130 1 65 GLU HA 1 65 GLU HG3 . . 4.180 3.364 2.932 3.627 . 0 0 "[ . 1 . 2]" 1
1131 1 65 GLU HA 1 67 LEU MD1 . . 6.000 5.364 4.839 5.681 . 0 0 "[ . 1 . 2]" 1
1132 1 65 GLU HA 1 67 LEU MD2 . . 6.000 5.452 5.288 5.600 . 0 0 "[ . 1 . 2]" 1
1133 1 65 GLU HA 1 68 ALA H . . 4.330 3.413 3.291 3.473 . 0 0 "[ . 1 . 2]" 1
1134 1 65 GLU HA 1 68 ALA MB . . 3.550 2.160 2.102 2.236 . 0 0 "[ . 1 . 2]" 1
1135 1 65 GLU HA 1 69 GLU H . . 4.480 4.013 3.837 4.143 . 0 0 "[ . 1 . 2]" 1
1136 1 65 GLU HB2 1 66 HIS H . . 3.680 3.053 2.820 3.113 . 0 0 "[ . 1 . 2]" 1
1137 1 65 GLU HB3 1 66 HIS H . . 4.030 3.891 3.834 3.972 . 0 0 "[ . 1 . 2]" 1
1138 1 65 GLU HB3 1 66 HIS HA . . 5.030 4.461 4.371 4.549 . 0 0 "[ . 1 . 2]" 1
1139 1 65 GLU HB3 1 68 ALA MB . . 4.070 4.074 3.939 4.109 0.039 16 0 "[ . 1 . 2]" 1
1140 1 65 GLU HB3 1 69 GLU H . . 4.950 4.918 4.605 4.978 0.028 15 0 "[ . 1 . 2]" 1
1141 1 66 HIS H 1 66 HIS QB . . 3.170 2.064 2.044 2.112 . 0 0 "[ . 1 . 2]" 1
1142 1 66 HIS H 1 67 LEU H . . 3.540 2.756 2.699 2.875 . 0 0 "[ . 1 . 2]" 1
1143 1 66 HIS H 1 67 LEU HB3 . . 5.310 5.072 4.942 5.301 . 0 0 "[ . 1 . 2]" 1
1144 1 66 HIS H 1 67 LEU QD . . 4.320 4.398 4.377 4.452 0.132 18 0 "[ . 1 . 2]" 1
1145 1 66 HIS H 1 68 ALA H . . 4.680 3.854 3.731 4.056 . 0 0 "[ . 1 . 2]" 1
1146 1 66 HIS H 1 68 ALA MB . . 4.740 4.403 4.311 4.515 . 0 0 "[ . 1 . 2]" 1
1147 1 66 HIS HA 1 69 GLU H . . 4.070 3.763 3.720 3.803 . 0 0 "[ . 1 . 2]" 1
1148 1 66 HIS HA 1 69 GLU HB2 . . 4.040 3.186 2.917 3.350 . 0 0 "[ . 1 . 2]" 1
1149 1 66 HIS HA 1 69 GLU HB3 . . 5.500 4.802 4.401 5.004 . 0 0 "[ . 1 . 2]" 1
1150 1 66 HIS HA 1 69 GLU HG2 . . 5.090 5.049 4.834 5.097 0.007 13 0 "[ . 1 . 2]" 1
1151 1 66 HIS HA 1 69 GLU HG3 . . 4.570 3.895 3.520 4.162 . 0 0 "[ . 1 . 2]" 1
1152 1 66 HIS HA 1 70 TRP H . . 5.110 4.792 4.633 4.958 . 0 0 "[ . 1 . 2]" 1
1153 1 66 HIS QB 1 67 LEU H . . 3.740 2.431 2.274 2.532 . 0 0 "[ . 1 . 2]" 1
1154 1 66 HIS QB 1 67 LEU HA . . 4.450 3.750 3.730 3.826 . 0 0 "[ . 1 . 2]" 1
1155 1 66 HIS QB 1 67 LEU QD . . 5.330 4.126 3.985 4.223 . 0 0 "[ . 1 . 2]" 1
1156 1 67 LEU H 1 67 LEU HB2 . . 3.690 3.581 3.573 3.592 . 0 0 "[ . 1 . 2]" 1
1157 1 67 LEU H 1 67 LEU HB3 . . 3.620 2.421 2.370 2.520 . 0 0 "[ . 1 . 2]" 1
1158 1 67 LEU H 1 67 LEU MD1 . . 4.330 3.906 3.755 3.990 . 0 0 "[ . 1 . 2]" 1
1159 1 67 LEU H 1 67 LEU QD . . 3.760 2.950 2.912 2.990 . 0 0 "[ . 1 . 2]" 1
1160 1 67 LEU H 1 67 LEU MD2 . . 4.330 3.054 3.023 3.109 . 0 0 "[ . 1 . 2]" 1
1161 1 67 LEU H 1 67 LEU HG . . 4.070 2.497 2.273 2.624 . 0 0 "[ . 1 . 2]" 1
1162 1 67 LEU H 1 68 ALA H . . 3.640 2.543 2.526 2.588 . 0 0 "[ . 1 . 2]" 1
1163 1 67 LEU H 1 68 ALA HA . . 5.200 5.162 5.139 5.210 0.010 18 0 "[ . 1 . 2]" 1
1164 1 67 LEU H 1 68 ALA MB . . 4.370 4.196 4.116 4.227 . 0 0 "[ . 1 . 2]" 1
1165 1 67 LEU H 1 69 GLU HB2 . . 5.450 5.294 4.976 5.462 0.012 13 0 "[ . 1 . 2]" 1
1166 1 67 LEU H 1 70 TRP QB . . 5.340 4.870 4.680 5.098 . 0 0 "[ . 1 . 2]" 1
1167 1 67 LEU HA 1 67 LEU MD1 . . 4.110 3.526 3.481 3.582 . 0 0 "[ . 1 . 2]" 1
1168 1 67 LEU HA 1 67 LEU QD . . 3.250 3.327 3.300 3.357 0.107 16 0 "[ . 1 . 2]" 1
1169 1 67 LEU HA 1 67 LEU MD2 . . 4.110 4.080 4.051 4.095 . 0 0 "[ . 1 . 2]" 1
1170 1 67 LEU HA 1 70 TRP H . . 3.740 3.225 3.189 3.301 . 0 0 "[ . 1 . 2]" 1
1171 1 67 LEU HA 1 70 TRP HB2 . . 4.060 2.451 2.209 2.781 . 0 0 "[ . 1 . 2]" 1
1172 1 67 LEU HA 1 70 TRP HB3 . . 4.060 3.677 3.272 3.947 . 0 0 "[ . 1 . 2]" 1
1173 1 67 LEU HA 1 71 ILE H . . 5.500 5.338 5.215 5.458 . 0 0 "[ . 1 . 2]" 1
1174 1 67 LEU HB2 1 68 ALA H . . 4.980 3.946 3.756 4.050 . 0 0 "[ . 1 . 2]" 1
1175 1 67 LEU HB2 1 70 TRP QB . . 4.730 3.831 3.708 4.045 . 0 0 "[ . 1 . 2]" 1
1176 1 67 LEU HB3 1 68 ALA H . . 4.210 3.848 3.834 3.872 . 0 0 "[ . 1 . 2]" 1
1177 1 67 LEU QD 1 70 TRP H . . 4.500 4.542 4.530 4.564 0.064 18 0 "[ . 1 . 2]" 1
1178 1 67 LEU QD 1 70 TRP QB . . 4.500 3.967 3.855 4.164 . 0 0 "[ . 1 . 2]" 1
1179 1 67 LEU QD 1 71 ILE H . . 5.120 5.116 4.992 5.193 0.073 6 0 "[ . 1 . 2]" 1
1180 1 67 LEU MD1 1 68 ALA H . . 6.000 2.968 2.596 3.200 . 0 0 "[ . 1 . 2]" 1
1181 1 67 LEU MD1 1 68 ALA HA . . 6.000 2.676 2.551 2.780 . 0 0 "[ . 1 . 2]" 1
1182 1 67 LEU MD1 1 68 ALA MB . . 4.250 3.042 2.637 3.299 . 0 0 "[ . 1 . 2]" 1
1183 1 67 LEU MD2 1 68 ALA H . . 6.000 3.719 3.677 3.764 . 0 0 "[ . 1 . 2]" 1
1184 1 67 LEU MD2 1 68 ALA HA . . 6.000 4.930 4.873 5.041 . 0 0 "[ . 1 . 2]" 1
1185 1 67 LEU MD2 1 68 ALA MB . . 4.250 4.241 4.209 4.268 0.018 18 0 "[ . 1 . 2]" 1
1186 1 68 ALA H 1 68 ALA MB . . 3.050 2.186 2.062 2.236 . 0 0 "[ . 1 . 2]" 1
1187 1 68 ALA H 1 69 GLU H . . 3.830 2.626 2.609 2.646 . 0 0 "[ . 1 . 2]" 1
1188 1 68 ALA H 1 69 GLU HA . . 5.200 5.250 5.224 5.271 0.071 1 0 "[ . 1 . 2]" 1
1189 1 68 ALA H 1 70 TRP H . . 5.110 3.943 3.868 4.054 . 0 0 "[ . 1 . 2]" 1
1190 1 68 ALA HA 1 70 TRP H . . 4.960 4.075 4.009 4.138 . 0 0 "[ . 1 . 2]" 1
1191 1 68 ALA HA 1 71 ILE H . . 4.510 4.307 4.196 4.380 . 0 0 "[ . 1 . 2]" 1
1192 1 68 ALA HA 1 71 ILE MD . . 4.620 4.058 3.693 4.671 0.051 6 0 "[ . 1 . 2]" 1
1193 1 68 ALA HA 1 71 ILE MG . . 4.780 3.813 3.619 4.132 . 0 0 "[ . 1 . 2]" 1
1194 1 68 ALA MB 1 69 GLU H . . 3.450 2.770 2.674 2.906 . 0 0 "[ . 1 . 2]" 1
1195 1 68 ALA MB 1 69 GLU HA . . 4.130 3.892 3.819 3.923 . 0 0 "[ . 1 . 2]" 1
1196 1 68 ALA MB 1 69 GLU HG2 . . 4.020 3.569 3.379 3.947 . 0 0 "[ . 1 . 2]" 1
1197 1 68 ALA MB 1 69 GLU HG3 . . 4.700 4.407 4.222 4.680 . 0 0 "[ . 1 . 2]" 1
1198 1 68 ALA MB 1 70 TRP H . . 4.480 4.397 4.349 4.470 . 0 0 "[ . 1 . 2]" 1
1199 1 68 ALA MB 1 71 ILE MD . . 4.190 3.925 3.720 4.292 0.102 18 0 "[ . 1 . 2]" 1
1200 1 69 GLU H 1 69 GLU HB2 . . 3.650 2.287 2.184 2.340 . 0 0 "[ . 1 . 2]" 1
1201 1 69 GLU H 1 69 GLU HB3 . . 3.560 3.554 3.480 3.582 0.022 13 0 "[ . 1 . 2]" 1
1202 1 69 GLU H 1 69 GLU HG2 . . 3.820 3.018 2.880 3.327 . 0 0 "[ . 1 . 2]" 1
1203 1 69 GLU H 1 69 GLU HG3 . . 3.620 3.434 3.314 3.625 0.005 18 0 "[ . 1 . 2]" 1
1204 1 69 GLU H 1 70 TRP H . . 3.540 2.376 2.368 2.389 . 0 0 "[ . 1 . 2]" 1
1205 1 69 GLU H 1 70 TRP QB . . 4.630 4.112 4.042 4.158 . 0 0 "[ . 1 . 2]" 1
1206 1 69 GLU H 1 71 ILE H . . 4.770 4.511 4.410 4.669 . 0 0 "[ . 1 . 2]" 1
1207 1 69 GLU H 1 72 LEU MD1 . . 5.460 4.430 4.295 4.492 . 0 0 "[ . 1 . 2]" 1
1208 1 69 GLU HA 1 69 GLU HG2 . . 3.490 2.366 2.225 2.473 . 0 0 "[ . 1 . 2]" 1
1209 1 69 GLU HA 1 69 GLU HG3 . . 3.760 3.621 3.532 3.673 . 0 0 "[ . 1 . 2]" 1
1210 1 69 GLU HA 1 71 ILE H . . 4.310 3.912 3.716 4.274 . 0 0 "[ . 1 . 2]" 1
1211 1 69 GLU HA 1 71 ILE MD . . 3.720 3.622 3.517 3.812 0.092 16 0 "[ . 1 . 2]" 1
1212 1 69 GLU HA 1 71 ILE MG . . 5.500 4.941 4.610 5.535 0.035 16 0 "[ . 1 . 2]" 1
1213 1 69 GLU HA 1 72 LEU H . . 4.080 3.406 3.253 3.474 . 0 0 "[ . 1 . 2]" 1
1214 1 69 GLU HA 1 72 LEU MD1 . . 3.280 2.054 1.922 2.134 . 0 0 "[ . 1 . 2]" 1
1215 1 69 GLU HA 1 73 GLU H . . 4.770 4.720 4.353 4.838 0.068 20 0 "[ . 1 . 2]" 1
1216 1 69 GLU HB2 1 70 TRP H . . 3.920 3.125 3.091 3.179 . 0 0 "[ . 1 . 2]" 1
1217 1 69 GLU HB2 1 72 LEU MD1 . . 3.900 3.927 3.864 3.949 0.049 13 0 "[ . 1 . 2]" 1
1218 1 69 GLU HB3 1 70 TRP H . . 3.850 3.818 3.648 3.880 0.030 13 0 "[ . 1 . 2]" 1
1219 1 69 GLU HB3 1 70 TRP HA . . 5.350 4.426 4.238 4.503 . 0 0 "[ . 1 . 2]" 1
1220 1 69 GLU HB3 1 72 LEU MD1 . . 4.550 2.755 2.669 3.079 . 0 0 "[ . 1 . 2]" 1
1221 1 69 GLU HG2 1 70 TRP H . . 4.930 4.755 4.683 4.889 . 0 0 "[ . 1 . 2]" 1
1222 1 69 GLU HG2 1 72 LEU MD1 . . 4.160 3.098 2.406 3.436 . 0 0 "[ . 1 . 2]" 1
1223 1 70 TRP H 1 70 TRP HB2 . . 3.590 2.275 2.088 2.471 . 0 0 "[ . 1 . 2]" 1
1224 1 70 TRP H 1 70 TRP QB . . 3.150 2.177 2.063 2.261 . 0 0 "[ . 1 . 2]" 1
1225 1 70 TRP H 1 70 TRP HB3 . . 3.590 2.869 2.619 3.210 . 0 0 "[ . 1 . 2]" 1
1226 1 70 TRP H 1 71 ILE H . . 3.750 2.907 2.863 2.982 . 0 0 "[ . 1 . 2]" 1
1227 1 70 TRP H 1 72 LEU H . . 4.860 4.423 4.177 4.544 . 0 0 "[ . 1 . 2]" 1
1228 1 70 TRP HA 1 73 GLU H . . 4.180 3.243 3.155 3.435 . 0 0 "[ . 1 . 2]" 1
1229 1 70 TRP HA 1 73 GLU HB2 . . 4.130 2.744 2.133 3.565 . 0 0 "[ . 1 . 2]" 1
1230 1 70 TRP HA 1 73 GLU HB3 . . 4.130 3.007 2.582 3.664 . 0 0 "[ . 1 . 2]" 1
1231 1 70 TRP QB 1 70 TRP HE1 . . 4.480 4.449 4.415 4.480 . 0 0 "[ . 1 . 2]" 1
1232 1 70 TRP QB 1 71 ILE H . . 3.760 2.560 2.308 2.767 . 0 0 "[ . 1 . 2]" 1
1233 1 70 TRP QB 1 73 GLU H . . 5.310 4.904 4.793 5.035 . 0 0 "[ . 1 . 2]" 1
1234 1 70 TRP QB 1 73 GLU QB . . 5.180 4.255 4.002 4.677 . 0 0 "[ . 1 . 2]" 1
1235 1 70 TRP HB2 1 71 ILE H . . 4.320 3.686 3.433 3.960 . 0 0 "[ . 1 . 2]" 1
1236 1 70 TRP HB3 1 71 ILE H . . 4.320 2.620 2.337 2.919 . 0 0 "[ . 1 . 2]" 1
1237 1 71 ILE H 1 71 ILE HB . . 3.780 3.614 3.608 3.617 . 0 0 "[ . 1 . 2]" 1
1238 1 71 ILE H 1 71 ILE MD . . 3.880 3.520 3.399 3.765 . 0 0 "[ . 1 . 2]" 1
1239 1 71 ILE H 1 71 ILE HG12 . . 3.890 2.266 1.975 2.916 . 0 0 "[ . 1 . 2]" 1
1240 1 71 ILE H 1 71 ILE HG13 . . 3.800 2.923 2.032 3.388 . 0 0 "[ . 1 . 2]" 1
1241 1 71 ILE H 1 71 ILE MG . . 3.780 2.321 2.208 2.477 . 0 0 "[ . 1 . 2]" 1
1242 1 71 ILE H 1 72 LEU H . . 3.850 2.843 2.799 2.865 . 0 0 "[ . 1 . 2]" 1
1243 1 71 ILE H 1 72 LEU HA . . 5.500 5.420 5.384 5.438 . 0 0 "[ . 1 . 2]" 1
1244 1 71 ILE H 1 72 LEU HG . . 4.860 4.601 4.085 4.845 . 0 0 "[ . 1 . 2]" 1
1245 1 71 ILE H 1 73 GLU H . . 4.840 4.286 4.169 4.527 . 0 0 "[ . 1 . 2]" 1
1246 1 71 ILE HA 1 71 ILE MD . . 4.210 4.080 3.878 4.160 . 0 0 "[ . 1 . 2]" 1
1247 1 71 ILE HA 1 71 ILE HG12 . . 4.020 3.772 3.622 4.102 0.082 18 0 "[ . 1 . 2]" 1
1248 1 71 ILE HA 1 71 ILE HG13 . . 4.150 3.703 3.498 3.814 . 0 0 "[ . 1 . 2]" 1
1249 1 71 ILE HA 1 71 ILE MG . . 3.630 2.192 2.119 2.280 . 0 0 "[ . 1 . 2]" 1
1250 1 71 ILE HA 1 74 HIS H . . 4.410 3.768 3.575 3.886 . 0 0 "[ . 1 . 2]" 1
1251 1 71 ILE HB 1 71 ILE MD . . 3.560 2.363 2.080 2.492 . 0 0 "[ . 1 . 2]" 1
1252 1 71 ILE HB 1 72 LEU H . . 4.390 3.570 3.529 3.656 . 0 0 "[ . 1 . 2]" 1
1253 1 71 ILE HB 1 72 LEU HA . . 4.260 4.304 4.269 4.330 0.070 13 0 "[ . 1 . 2]" 1
1254 1 71 ILE MD 1 71 ILE MG . . 2.940 2.311 1.960 2.994 0.054 18 0 "[ . 1 . 2]" 1
1255 1 71 ILE MD 1 72 LEU H . . 4.850 3.347 2.458 3.643 . 0 0 "[ . 1 . 2]" 1
1256 1 71 ILE MD 1 72 LEU HA . . 5.230 4.298 2.785 4.916 . 0 0 "[ . 1 . 2]" 1
1257 1 71 ILE MD 1 72 LEU QB . . 4.720 4.376 3.436 4.738 0.018 12 0 "[ . 1 . 2]" 1
1258 1 71 ILE HG12 1 71 ILE MG . . 3.430 2.315 1.986 2.479 . 0 0 "[ . 1 . 2]" 1
1259 1 71 ILE HG13 1 73 GLU H . . 4.550 4.573 4.358 4.627 0.077 13 0 "[ . 1 . 2]" 1
1260 1 71 ILE MG 1 72 LEU HA . . 5.500 5.399 5.395 5.408 . 0 0 "[ . 1 . 2]" 1
1261 1 71 ILE MG 1 72 LEU HG . . 4.980 4.808 4.760 4.916 . 0 0 "[ . 1 . 2]" 1
1262 1 72 LEU H 1 72 LEU HB2 . . 3.690 2.607 2.579 2.690 . 0 0 "[ . 1 . 2]" 1
1263 1 72 LEU H 1 72 LEU QB . . 3.180 2.548 2.525 2.618 . 0 0 "[ . 1 . 2]" 1
1264 1 72 LEU H 1 72 LEU HB3 . . 3.690 3.596 3.582 3.600 . 0 0 "[ . 1 . 2]" 1
1265 1 72 LEU H 1 72 LEU MD1 . . 3.620 2.781 2.450 3.412 . 0 0 "[ . 1 . 2]" 1
1266 1 72 LEU H 1 72 LEU MD2 . . 3.810 3.694 3.139 3.914 0.104 13 0 "[ . 1 . 2]" 1
1267 1 72 LEU H 1 72 LEU HG . . 3.550 2.270 1.917 2.439 . 0 0 "[ . 1 . 2]" 1
1268 1 72 LEU H 1 73 GLU H . . 3.600 2.575 2.526 2.683 . 0 0 "[ . 1 . 2]" 1
1269 1 72 LEU H 1 74 HIS H . . 4.540 3.963 3.819 4.034 . 0 0 "[ . 1 . 2]" 1
1270 1 72 LEU HA 1 72 LEU MD2 . . 2.980 2.765 2.228 3.051 0.071 13 0 "[ . 1 . 2]" 1
1271 1 72 LEU HA 1 72 LEU HG . . 3.210 2.838 2.669 3.211 0.001 16 0 "[ . 1 . 2]" 1
1272 1 72 LEU HA 1 74 HIS H . . 4.120 3.967 3.870 4.101 . 0 0 "[ . 1 . 2]" 1
1273 1 72 LEU QB 1 72 LEU MD2 . . 3.060 2.110 2.056 2.245 . 0 0 "[ . 1 . 2]" 1
1274 1 72 LEU QB 1 73 GLU H . . 3.620 2.475 2.310 2.572 . 0 0 "[ . 1 . 2]" 1
1275 1 72 LEU HB2 1 73 GLU H . . 4.350 2.513 2.340 2.616 . 0 0 "[ . 1 . 2]" 1
1276 1 72 LEU HB3 1 73 GLU H . . 4.350 3.726 3.568 3.829 . 0 0 "[ . 1 . 2]" 1
1277 1 72 LEU MD1 1 73 GLU H . . 4.130 3.727 3.539 4.085 . 0 0 "[ . 1 . 2]" 1
1278 1 72 LEU MD1 1 73 GLU QB . . 5.030 4.748 4.567 4.993 . 0 0 "[ . 1 . 2]" 1
1279 1 73 GLU H 1 73 GLU HB2 . . 3.360 2.210 2.066 2.482 . 0 0 "[ . 1 . 2]" 1
1280 1 73 GLU H 1 73 GLU HB3 . . 3.360 2.935 2.564 3.355 . 0 0 "[ . 1 . 2]" 1
1281 1 73 GLU H 1 74 HIS H . . 3.420 2.708 2.636 2.763 . 0 0 "[ . 1 . 2]" 1
1282 1 73 GLU QB 1 74 HIS H . . 3.560 2.834 2.769 2.914 . 0 0 "[ . 1 . 2]" 1
1283 1 73 GLU HB2 1 74 HIS H . . 4.100 3.709 3.236 4.021 . 0 0 "[ . 1 . 2]" 1
1284 1 73 GLU HB3 1 74 HIS H . . 4.100 2.955 2.832 3.206 . 0 0 "[ . 1 . 2]" 1
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