NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
550925 |
2lrr   |
18391 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lrr
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 1340
_Distance_constraint_stats_list.Viol_count 1321
_Distance_constraint_stats_list.Viol_total 1346.458
_Distance_constraint_stats_list.Viol_max 0.336
_Distance_constraint_stats_list.Viol_rms 0.0149
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0510
_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 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 0.529 0.159 20 0 "[ . 1 . 2]"
1 13 GLU 0.529 0.159 20 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 0.561 0.195 16 0 "[ . 1 . 2]"
1 16 ASP 0.107 0.047 2 0 "[ . 1 . 2]"
1 17 GLY 0.311 0.154 1 0 "[ . 1 . 2]"
1 18 VAL 3.413 0.210 15 0 "[ . 1 . 2]"
1 19 ASP 4.282 0.212 18 0 "[ . 1 . 2]"
1 20 HIS 1.690 0.147 9 0 "[ . 1 . 2]"
1 21 PHE 5.189 0.264 7 0 "[ . 1 . 2]"
1 22 ARG 1.892 0.212 18 0 "[ . 1 . 2]"
1 23 ALA 0.233 0.045 6 0 "[ . 1 . 2]"
1 24 MET 4.199 0.147 9 0 "[ . 1 . 2]"
1 25 ILE 2.164 0.104 17 0 "[ . 1 . 2]"
1 26 VAL 0.161 0.047 8 0 "[ . 1 . 2]"
1 27 GLU 0.141 0.067 16 0 "[ . 1 . 2]"
1 28 PHE 3.436 0.098 13 0 "[ . 1 . 2]"
1 29 MET 2.984 0.152 15 0 "[ . 1 . 2]"
1 30 ALA 0.178 0.070 18 0 "[ . 1 . 2]"
1 31 SER 0.205 0.070 18 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.981 0.097 18 0 "[ . 1 . 2]"
1 34 MET 0.156 0.072 4 0 "[ . 1 . 2]"
1 35 GLN 1.665 0.336 20 0 "[ . 1 . 2]"
1 36 LEU 2.514 0.105 13 0 "[ . 1 . 2]"
1 37 GLU 2.676 0.139 1 0 "[ . 1 . 2]"
1 38 PHE 0.728 0.084 3 0 "[ . 1 . 2]"
1 39 PRO 0.584 0.070 5 0 "[ . 1 . 2]"
1 40 PRO 1.531 0.253 12 0 "[ . 1 . 2]"
1 41 SER 1.663 0.253 12 0 "[ . 1 . 2]"
1 42 LEU 4.918 0.264 7 0 "[ . 1 . 2]"
1 43 ASN 0.503 0.142 4 0 "[ . 1 . 2]"
1 44 SER 0.019 0.019 17 0 "[ . 1 . 2]"
1 45 HIS 0.401 0.068 19 0 "[ . 1 . 2]"
1 46 ASP 0.381 0.077 9 0 "[ . 1 . 2]"
1 47 ARG 3.607 0.145 9 0 "[ . 1 . 2]"
1 48 LEU 2.455 0.150 17 0 "[ . 1 . 2]"
1 49 ARG 0.624 0.085 7 0 "[ . 1 . 2]"
1 50 VAL 2.998 0.091 20 0 "[ . 1 . 2]"
1 51 HIS 4.738 0.150 17 0 "[ . 1 . 2]"
1 52 GLN 1.255 0.076 19 0 "[ . 1 . 2]"
1 53 ILE 1.705 0.104 17 0 "[ . 1 . 2]"
1 54 ALA 0.703 0.072 11 0 "[ . 1 . 2]"
1 55 GLU 0.951 0.076 19 0 "[ . 1 . 2]"
1 56 GLU 0.003 0.003 1 0 "[ . 1 . 2]"
1 57 HIS 2.083 0.150 2 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 2.485 0.152 15 0 "[ . 1 . 2]"
1 60 ARG 0.795 0.110 20 0 "[ . 1 . 2]"
1 61 HIS 3.903 0.135 20 0 "[ . 1 . 2]"
1 62 ASP 3.021 0.158 3 0 "[ . 1 . 2]"
1 63 SER 5.046 0.227 6 0 "[ . 1 . 2]"
1 64 SER 3.441 0.227 6 0 "[ . 1 . 2]"
1 65 GLY 0.571 0.099 3 0 "[ . 1 . 2]"
1 66 GLU 1.015 0.090 17 0 "[ . 1 . 2]"
1 67 GLY 0.462 0.134 18 0 "[ . 1 . 2]"
1 68 LYS 0.102 0.102 1 0 "[ . 1 . 2]"
1 69 ARG 2.382 0.305 18 0 "[ . 1 . 2]"
1 70 ARG 3.697 0.172 20 0 "[ . 1 . 2]"
1 71 PHE 2.407 0.172 20 0 "[ . 1 . 2]"
1 72 ILE 2.658 0.095 14 0 "[ . 1 . 2]"
1 73 THR 1.918 0.336 20 0 "[ . 1 . 2]"
1 74 VAL 4.809 0.098 13 0 "[ . 1 . 2]"
1 75 SER 2.098 0.243 12 0 "[ . 1 . 2]"
1 76 LYS 4.623 0.190 10 0 "[ . 1 . 2]"
1 77 ARG 3.891 0.251 18 0 "[ . 1 . 2]"
2 1 DGP 4.112 0.217 12 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 10 GLU H 1 10 GLU QB . . 3.660 2.695 2.258 3.346 . 0 0 "[ . 1 . 2]" 1
2 1 10 GLU H 1 10 GLU QG . . 4.900 3.076 2.139 4.148 . 0 0 "[ . 1 . 2]" 1
3 1 11 GLY H 1 12 VAL H . . 4.470 3.130 1.888 4.385 . 0 0 "[ . 1 . 2]" 1
4 1 11 GLY QA 1 12 VAL H . . 3.440 2.469 2.100 2.872 . 0 0 "[ . 1 . 2]" 1
5 1 12 VAL H 1 12 VAL HB . . 3.960 3.134 2.540 3.814 . 0 0 "[ . 1 . 2]" 1
6 1 12 VAL H 1 12 VAL QG . . 3.810 2.114 1.795 2.611 . 0 0 "[ . 1 . 2]" 1
7 1 12 VAL H 1 13 GLU H . . 4.230 3.493 1.991 4.389 0.159 20 0 "[ . 1 . 2]" 1
8 1 12 VAL HA 1 13 GLU H . . 3.490 2.571 2.084 3.506 0.016 10 0 "[ . 1 . 2]" 1
9 1 12 VAL QG 1 13 GLU H . . 4.720 3.159 2.443 3.707 . 0 0 "[ . 1 . 2]" 1
10 1 13 GLU H 1 13 GLU HB2 . . 4.090 2.814 2.182 3.834 . 0 0 "[ . 1 . 2]" 1
11 1 13 GLU H 1 13 GLU QB . . 3.490 2.514 2.118 3.249 . 0 0 "[ . 1 . 2]" 1
12 1 13 GLU H 1 13 GLU HB3 . . 4.090 3.186 2.395 3.778 . 0 0 "[ . 1 . 2]" 1
13 1 13 GLU H 1 13 GLU QG . . 4.420 3.064 1.891 4.319 . 0 0 "[ . 1 . 2]" 1
14 1 13 GLU H 1 14 SER H . . 5.340 3.578 2.044 4.607 . 0 0 "[ . 1 . 2]" 1
15 1 13 GLU HA 1 14 SER H . . 3.550 2.665 2.122 3.547 . 0 0 "[ . 1 . 2]" 1
16 1 15 GLN HA 1 15 GLN QG . . 2.400 2.406 2.276 2.595 0.195 16 0 "[ . 1 . 2]" 1
17 1 15 GLN QB 1 16 ASP H . . 4.110 2.896 1.925 4.003 . 0 0 "[ . 1 . 2]" 1
18 1 15 GLN HB2 1 16 ASP H . . 4.820 3.677 1.955 4.666 . 0 0 "[ . 1 . 2]" 1
19 1 15 GLN HB3 1 16 ASP H . . 4.820 3.261 1.973 4.467 . 0 0 "[ . 1 . 2]" 1
20 1 16 ASP H 1 16 ASP QB . . 3.420 2.501 2.205 3.183 . 0 0 "[ . 1 . 2]" 1
21 1 16 ASP H 1 17 GLY QA . . 4.850 4.549 4.278 4.897 0.047 2 0 "[ . 1 . 2]" 1
22 1 16 ASP HA 1 17 GLY H . . 3.500 2.810 2.151 3.541 0.041 8 0 "[ . 1 . 2]" 1
23 1 16 ASP QB 1 17 GLY H . . 4.320 3.122 1.793 4.012 . 0 0 "[ . 1 . 2]" 1
24 1 17 GLY H 1 18 VAL H . . 3.780 2.981 2.178 3.934 0.154 1 0 "[ . 1 . 2]" 1
25 1 17 GLY QA 1 18 VAL H . . 3.060 2.510 2.121 2.812 . 0 0 "[ . 1 . 2]" 1
26 1 18 VAL H 1 18 VAL HB . . 3.930 3.021 2.635 3.515 . 0 0 "[ . 1 . 2]" 1
27 1 18 VAL H 1 18 VAL QG . . 3.430 2.259 1.881 2.829 . 0 0 "[ . 1 . 2]" 1
28 1 18 VAL H 1 19 ASP H . . 4.250 4.033 3.715 4.270 0.020 5 0 "[ . 1 . 2]" 1
29 1 18 VAL H 1 19 ASP HA . . 4.880 4.905 4.414 5.090 0.210 15 0 "[ . 1 . 2]" 1
30 1 18 VAL HA 1 18 VAL MG1 . . 3.370 2.865 2.320 3.223 . 0 0 "[ . 1 . 2]" 1
31 1 18 VAL HA 1 18 VAL QG . . 2.950 2.261 2.131 2.381 . 0 0 "[ . 1 . 2]" 1
32 1 18 VAL HA 1 18 VAL MG2 . . 3.370 2.433 2.340 2.495 . 0 0 "[ . 1 . 2]" 1
33 1 18 VAL HA 1 19 ASP H . . 3.280 2.138 2.057 2.267 . 0 0 "[ . 1 . 2]" 1
34 1 18 VAL HB 1 19 ASP H . . 4.250 4.285 4.113 4.380 0.130 6 0 "[ . 1 . 2]" 1
35 1 18 VAL QG 1 19 ASP H . . 4.270 3.021 2.431 3.448 . 0 0 "[ . 1 . 2]" 1
36 1 18 VAL QG 1 19 ASP HA . . 4.630 3.640 3.089 4.198 . 0 0 "[ . 1 . 2]" 1
37 1 18 VAL QG 1 20 HIS HA . . 4.880 4.304 3.665 4.913 0.033 6 0 "[ . 1 . 2]" 1
38 1 18 VAL QG 1 23 ALA MB . . 4.460 3.262 1.924 4.505 0.045 6 0 "[ . 1 . 2]" 1
39 1 18 VAL MG1 1 19 ASP HA . . 5.500 4.134 3.624 4.442 . 0 0 "[ . 1 . 2]" 1
40 1 18 VAL MG2 1 19 ASP HA . . 5.500 4.448 3.301 5.646 0.146 17 0 "[ . 1 . 2]" 1
41 1 19 ASP H 1 19 ASP HB2 . . 3.710 3.039 2.461 3.571 . 0 0 "[ . 1 . 2]" 1
42 1 19 ASP H 1 19 ASP QB . . 3.230 2.519 2.200 2.853 . 0 0 "[ . 1 . 2]" 1
43 1 19 ASP H 1 19 ASP HB3 . . 3.710 2.808 2.348 3.624 . 0 0 "[ . 1 . 2]" 1
44 1 19 ASP HA 1 22 ARG H . . 5.110 4.528 4.217 4.717 . 0 0 "[ . 1 . 2]" 1
45 1 19 ASP HA 1 22 ARG QB . . 4.200 4.184 3.877 4.374 0.174 2 0 "[ . 1 . 2]" 1
46 1 19 ASP QB 1 21 PHE H . . 5.340 3.844 2.646 4.629 . 0 0 "[ . 1 . 2]" 1
47 1 19 ASP QB 1 22 ARG QB . . 4.530 1.899 1.754 3.106 . 0 0 "[ . 1 . 2]" 1
48 1 19 ASP QB 1 22 ARG QG . . 4.380 3.584 3.015 4.592 0.212 18 0 "[ . 1 . 2]" 1
49 1 20 HIS HA 1 20 HIS QB . . 2.680 2.389 2.348 2.449 . 0 0 "[ . 1 . 2]" 1
50 1 20 HIS HA 1 20 HIS HD2 . . 4.470 4.068 3.655 4.261 . 0 0 "[ . 1 . 2]" 1
51 1 20 HIS HA 1 23 ALA H . . 3.980 3.823 3.661 4.020 0.040 3 0 "[ . 1 . 2]" 1
52 1 20 HIS HA 1 23 ALA MB . . 3.220 3.071 2.814 3.218 . 0 0 "[ . 1 . 2]" 1
53 1 20 HIS HA 1 24 MET H . . 4.660 4.356 4.186 4.544 . 0 0 "[ . 1 . 2]" 1
54 1 20 HIS QB 1 20 HIS HD2 . . 3.230 2.782 2.727 2.869 . 0 0 "[ . 1 . 2]" 1
55 1 20 HIS QB 1 23 ALA MB . . 4.870 4.707 4.521 4.844 . 0 0 "[ . 1 . 2]" 1
56 1 20 HIS QB 1 24 MET ME . . 5.500 5.424 4.461 5.647 0.147 9 0 "[ . 1 . 2]" 1
57 1 20 HIS HD2 1 21 PHE H . . 5.500 3.729 3.412 4.232 . 0 0 "[ . 1 . 2]" 1
58 1 20 HIS HD2 1 21 PHE HA . . 5.500 3.090 2.737 3.620 . 0 0 "[ . 1 . 2]" 1
59 1 20 HIS HD2 1 21 PHE QE . . 4.470 3.362 2.852 4.329 . 0 0 "[ . 1 . 2]" 1
60 1 20 HIS HD2 1 21 PHE HZ . . 5.500 4.586 4.065 5.483 . 0 0 "[ . 1 . 2]" 1
61 1 20 HIS HD2 1 23 ALA MB . . 5.500 5.313 4.585 5.527 0.027 1 0 "[ . 1 . 2]" 1
62 1 20 HIS HD2 1 24 MET HB3 . . 5.500 5.229 4.907 5.544 0.044 19 0 "[ . 1 . 2]" 1
63 1 20 HIS HD2 1 24 MET ME . . 4.880 3.373 2.213 3.828 . 0 0 "[ . 1 . 2]" 1
64 1 20 HIS HD2 1 24 MET HG2 . . 5.500 3.966 3.410 5.194 . 0 0 "[ . 1 . 2]" 1
65 1 20 HIS HD2 1 24 MET HG3 . . 4.550 2.777 2.351 3.553 . 0 0 "[ . 1 . 2]" 1
66 1 21 PHE H 1 21 PHE QB . . 3.060 2.381 2.330 2.440 . 0 0 "[ . 1 . 2]" 1
67 1 21 PHE H 1 21 PHE QD . . 3.960 3.092 2.753 3.404 . 0 0 "[ . 1 . 2]" 1
68 1 21 PHE H 1 22 ARG H . . 3.300 2.495 2.372 2.611 . 0 0 "[ . 1 . 2]" 1
69 1 21 PHE H 1 22 ARG QB . . 4.750 4.253 4.096 4.417 . 0 0 "[ . 1 . 2]" 1
70 1 21 PHE H 1 23 ALA H . . 4.490 4.105 3.919 4.412 . 0 0 "[ . 1 . 2]" 1
71 1 21 PHE H 1 53 ILE MD . . 5.500 4.069 3.614 4.708 . 0 0 "[ . 1 . 2]" 1
72 1 21 PHE HA 1 21 PHE QD . . 2.800 2.206 1.947 2.439 . 0 0 "[ . 1 . 2]" 1
73 1 21 PHE HA 1 21 PHE QE . . 4.340 4.319 4.221 4.371 0.031 2 0 "[ . 1 . 2]" 1
74 1 21 PHE HA 1 23 ALA MB . . 5.090 4.684 4.533 4.884 . 0 0 "[ . 1 . 2]" 1
75 1 21 PHE HA 1 24 MET H . . 3.860 3.185 3.040 3.371 . 0 0 "[ . 1 . 2]" 1
76 1 21 PHE HA 1 24 MET HB2 . . 3.920 2.472 2.263 2.807 . 0 0 "[ . 1 . 2]" 1
77 1 21 PHE HA 1 24 MET HB3 . . 4.540 4.052 3.813 4.508 . 0 0 "[ . 1 . 2]" 1
78 1 21 PHE HA 1 24 MET ME . . 5.110 3.940 2.883 4.335 . 0 0 "[ . 1 . 2]" 1
79 1 21 PHE HA 1 24 MET HG2 . . 5.050 3.749 3.013 5.018 . 0 0 "[ . 1 . 2]" 1
80 1 21 PHE HA 1 24 MET HG3 . . 4.050 2.715 2.193 3.515 . 0 0 "[ . 1 . 2]" 1
81 1 21 PHE HA 1 25 ILE H . . 4.940 3.942 3.735 4.119 . 0 0 "[ . 1 . 2]" 1
82 1 21 PHE HA 1 25 ILE MD . . 5.390 4.591 4.197 4.862 . 0 0 "[ . 1 . 2]" 1
83 1 21 PHE HA 1 38 PHE QE . . 3.800 3.405 3.117 3.766 . 0 0 "[ . 1 . 2]" 1
84 1 21 PHE HA 1 38 PHE HZ . . 5.460 4.220 3.974 4.720 . 0 0 "[ . 1 . 2]" 1
85 1 21 PHE HA 1 50 VAL MG2 . . 5.300 4.021 3.855 4.211 . 0 0 "[ . 1 . 2]" 1
86 1 21 PHE HA 1 53 ILE MD . . 5.410 4.527 4.161 4.984 . 0 0 "[ . 1 . 2]" 1
87 1 21 PHE QB 1 22 ARG H . . 3.620 2.791 2.582 2.987 . 0 0 "[ . 1 . 2]" 1
88 1 21 PHE QB 1 23 ALA H . . 5.030 4.827 4.656 5.012 . 0 0 "[ . 1 . 2]" 1
89 1 21 PHE QB 1 24 MET H . . 5.330 4.775 4.672 4.915 . 0 0 "[ . 1 . 2]" 1
90 1 21 PHE QB 1 24 MET ME . . 5.500 5.058 4.218 5.513 0.013 16 0 "[ . 1 . 2]" 1
91 1 21 PHE QB 1 25 ILE MD . . 3.470 3.167 2.752 3.481 0.011 1 0 "[ . 1 . 2]" 1
92 1 21 PHE QB 1 38 PHE QE . . 5.500 3.905 3.643 4.216 . 0 0 "[ . 1 . 2]" 1
93 1 21 PHE QB 1 50 VAL MG1 . . 4.680 3.584 3.269 3.911 . 0 0 "[ . 1 . 2]" 1
94 1 21 PHE QB 1 50 VAL MG2 . . 3.120 2.146 1.941 2.350 . 0 0 "[ . 1 . 2]" 1
95 1 21 PHE QB 1 53 ILE MD . . 3.050 2.508 2.202 2.941 . 0 0 "[ . 1 . 2]" 1
96 1 21 PHE QD 1 22 ARG H . . 4.920 4.458 4.239 4.646 . 0 0 "[ . 1 . 2]" 1
97 1 21 PHE QD 1 24 MET H . . 5.500 5.021 4.768 5.202 . 0 0 "[ . 1 . 2]" 1
98 1 21 PHE QD 1 24 MET ME . . 5.500 3.327 2.223 3.942 . 0 0 "[ . 1 . 2]" 1
99 1 21 PHE QD 1 38 PHE HZ . . 4.220 3.729 3.269 4.077 . 0 0 "[ . 1 . 2]" 1
100 1 21 PHE QD 1 42 LEU QD . . 5.440 3.316 2.994 3.641 . 0 0 "[ . 1 . 2]" 1
101 1 21 PHE QD 1 46 ASP HA . . 3.790 3.728 3.506 3.867 0.077 9 0 "[ . 1 . 2]" 1
102 1 21 PHE QD 1 50 VAL HA . . 5.500 4.623 4.317 4.983 . 0 0 "[ . 1 . 2]" 1
103 1 21 PHE QD 1 50 VAL MG1 . . 5.500 4.465 4.226 4.656 . 0 0 "[ . 1 . 2]" 1
104 1 21 PHE QD 1 50 VAL MG2 . . 5.500 2.820 2.683 2.922 . 0 0 "[ . 1 . 2]" 1
105 1 21 PHE QE 1 24 MET HB2 . . 5.500 5.496 5.131 5.588 0.088 1 0 "[ . 1 . 2]" 1
106 1 21 PHE QE 1 42 LEU HA . . 4.450 4.647 4.572 4.714 0.264 7 0 "[ . 1 . 2]" 1
107 1 21 PHE QE 1 42 LEU QD . . 3.500 2.218 2.023 2.552 . 0 0 "[ . 1 . 2]" 1
108 1 21 PHE QE 1 46 ASP HA . . 5.500 2.485 2.181 2.997 . 0 0 "[ . 1 . 2]" 1
109 1 21 PHE QE 1 46 ASP HB2 . . 5.500 3.977 3.806 4.217 . 0 0 "[ . 1 . 2]" 1
110 1 21 PHE QE 1 46 ASP HB3 . . 3.890 2.530 2.231 2.960 . 0 0 "[ . 1 . 2]" 1
111 1 21 PHE QE 1 50 VAL MG1 . . 5.500 5.426 5.103 5.563 0.063 12 0 "[ . 1 . 2]" 1
112 1 21 PHE QE 1 50 VAL MG2 . . 5.500 3.499 3.278 3.677 . 0 0 "[ . 1 . 2]" 1
113 1 21 PHE HZ 1 42 LEU HA . . 4.280 3.773 3.665 3.891 . 0 0 "[ . 1 . 2]" 1
114 1 21 PHE HZ 1 42 LEU HB3 . . 4.630 4.485 4.266 4.631 0.001 17 0 "[ . 1 . 2]" 1
115 1 21 PHE HZ 1 42 LEU MD1 . . 5.500 3.062 2.654 3.469 . 0 0 "[ . 1 . 2]" 1
116 1 21 PHE HZ 1 42 LEU MD2 . . 5.500 3.216 2.986 3.495 . 0 0 "[ . 1 . 2]" 1
117 1 21 PHE HZ 1 42 LEU HG . . 3.390 2.172 2.035 2.351 . 0 0 "[ . 1 . 2]" 1
118 1 21 PHE HZ 1 46 ASP HA . . 4.500 4.185 3.651 4.529 0.029 13 0 "[ . 1 . 2]" 1
119 1 21 PHE HZ 1 46 ASP HB2 . . 5.500 3.951 3.634 4.265 . 0 0 "[ . 1 . 2]" 1
120 1 21 PHE HZ 1 46 ASP HB3 . . 3.580 2.412 2.025 2.698 . 0 0 "[ . 1 . 2]" 1
121 1 21 PHE HZ 1 50 VAL MG2 . . 5.500 4.312 3.989 4.647 . 0 0 "[ . 1 . 2]" 1
122 1 22 ARG H 1 22 ARG QB . . 3.150 2.240 2.124 2.315 . 0 0 "[ . 1 . 2]" 1
123 1 22 ARG H 1 22 ARG QG . . 4.270 3.986 3.869 4.061 . 0 0 "[ . 1 . 2]" 1
124 1 22 ARG H 1 23 ALA H . . 3.250 2.671 2.459 2.808 . 0 0 "[ . 1 . 2]" 1
125 1 22 ARG H 1 24 MET H . . 5.130 4.130 3.906 4.351 . 0 0 "[ . 1 . 2]" 1
126 1 22 ARG H 1 25 ILE H . . 5.500 4.688 4.531 4.755 . 0 0 "[ . 1 . 2]" 1
127 1 22 ARG H 1 53 ILE MD . . 4.280 2.783 2.461 3.188 . 0 0 "[ . 1 . 2]" 1
128 1 22 ARG H 1 53 ILE MG . . 5.200 4.300 3.898 4.868 . 0 0 "[ . 1 . 2]" 1
129 1 22 ARG HA 1 22 ARG QD . . 4.720 3.312 2.139 4.252 . 0 0 "[ . 1 . 2]" 1
130 1 22 ARG HA 1 22 ARG QG . . 3.500 2.576 2.209 3.158 . 0 0 "[ . 1 . 2]" 1
131 1 22 ARG HA 1 24 MET H . . 5.110 4.548 4.322 4.762 . 0 0 "[ . 1 . 2]" 1
132 1 22 ARG HA 1 25 ILE H . . 4.080 3.516 3.272 3.712 . 0 0 "[ . 1 . 2]" 1
133 1 22 ARG HA 1 25 ILE MD . . 3.500 3.120 2.880 3.512 0.012 5 0 "[ . 1 . 2]" 1
134 1 22 ARG HA 1 25 ILE MG . . 4.100 4.091 3.895 4.191 0.091 4 0 "[ . 1 . 2]" 1
135 1 22 ARG HA 1 26 VAL H . . 4.620 4.002 3.842 4.312 . 0 0 "[ . 1 . 2]" 1
136 1 22 ARG HA 1 53 ILE MD . . 3.190 2.261 1.922 2.664 . 0 0 "[ . 1 . 2]" 1
137 1 22 ARG HA 1 57 HIS HE1 . . 5.500 5.099 4.702 5.540 0.040 5 0 "[ . 1 . 2]" 1
138 1 22 ARG QB 1 22 ARG HD2 . . 3.740 2.729 2.134 3.513 . 0 0 "[ . 1 . 2]" 1
139 1 22 ARG QB 1 22 ARG QD . . 3.250 2.307 2.056 2.742 . 0 0 "[ . 1 . 2]" 1
140 1 22 ARG QB 1 22 ARG HD3 . . 3.740 2.706 2.292 3.310 . 0 0 "[ . 1 . 2]" 1
141 1 22 ARG QB 1 23 ALA H . . 3.110 2.500 2.281 2.695 . 0 0 "[ . 1 . 2]" 1
142 1 22 ARG QB 1 53 ILE MD . . 3.520 2.229 1.953 2.885 . 0 0 "[ . 1 . 2]" 1
143 1 22 ARG QG 1 23 ALA H . . 4.190 3.724 3.130 4.102 . 0 0 "[ . 1 . 2]" 1
144 1 22 ARG QG 1 23 ALA HA . . 4.600 3.887 3.222 4.636 0.036 18 0 "[ . 1 . 2]" 1
145 1 22 ARG QG 1 26 VAL H . . 4.980 4.219 3.788 4.567 . 0 0 "[ . 1 . 2]" 1
146 1 22 ARG QG 1 57 HIS HE1 . . 5.500 3.951 3.173 5.156 . 0 0 "[ . 1 . 2]" 1
147 1 23 ALA H 1 23 ALA MB . . 2.720 2.235 2.218 2.250 . 0 0 "[ . 1 . 2]" 1
148 1 23 ALA H 1 26 VAL QG . . 4.650 4.094 3.963 4.291 . 0 0 "[ . 1 . 2]" 1
149 1 23 ALA HA 1 25 ILE H . . 4.580 4.371 4.251 4.514 . 0 0 "[ . 1 . 2]" 1
150 1 23 ALA HA 1 26 VAL H . . 3.770 3.541 3.358 3.688 . 0 0 "[ . 1 . 2]" 1
151 1 23 ALA HA 1 26 VAL QG . . 2.990 1.969 1.841 2.122 . 0 0 "[ . 1 . 2]" 1
152 1 23 ALA MB 1 24 MET H . . 3.090 2.445 2.357 2.536 . 0 0 "[ . 1 . 2]" 1
153 1 23 ALA MB 1 24 MET HG3 . . 4.820 4.189 3.202 4.578 . 0 0 "[ . 1 . 2]" 1
154 1 23 ALA MB 1 26 VAL H . . 4.980 4.699 4.567 4.813 . 0 0 "[ . 1 . 2]" 1
155 1 23 ALA MB 1 26 VAL QG . . 4.050 3.274 3.157 3.422 . 0 0 "[ . 1 . 2]" 1
156 1 23 ALA MB 1 27 GLU H . . 4.890 4.643 4.512 4.788 . 0 0 "[ . 1 . 2]" 1
157 1 24 MET H 1 24 MET HB2 . . 3.100 2.498 2.430 2.553 . 0 0 "[ . 1 . 2]" 1
158 1 24 MET H 1 24 MET HB3 . . 3.630 3.579 3.560 3.614 . 0 0 "[ . 1 . 2]" 1
159 1 24 MET H 1 24 MET HG2 . . 3.590 2.444 2.001 3.444 . 0 0 "[ . 1 . 2]" 1
160 1 24 MET H 1 24 MET HG3 . . 3.150 2.965 2.113 3.223 0.073 16 0 "[ . 1 . 2]" 1
161 1 24 MET H 1 26 VAL H . . 5.010 4.308 4.208 4.457 . 0 0 "[ . 1 . 2]" 1
162 1 24 MET HA 1 24 MET ME . . 4.280 3.957 3.711 4.341 0.061 15 0 "[ . 1 . 2]" 1
163 1 24 MET HA 1 24 MET HG2 . . 3.090 2.616 2.277 2.789 . 0 0 "[ . 1 . 2]" 1
164 1 24 MET HA 1 24 MET HG3 . . 3.750 3.621 3.002 3.814 0.064 17 0 "[ . 1 . 2]" 1
165 1 24 MET HA 1 36 LEU MD1 . . 5.500 5.111 3.923 5.594 0.094 20 0 "[ . 1 . 2]" 1
166 1 24 MET HA 1 36 LEU QD . . 4.290 4.003 3.791 4.245 . 0 0 "[ . 1 . 2]" 1
167 1 24 MET HA 1 36 LEU MD2 . . 5.500 4.437 3.939 5.538 0.038 15 0 "[ . 1 . 2]" 1
168 1 24 MET HB2 1 24 MET ME . . 3.240 3.037 2.257 3.254 0.014 11 0 "[ . 1 . 2]" 1
169 1 24 MET HB2 1 24 MET HG3 . . 2.890 2.277 2.222 2.487 . 0 0 "[ . 1 . 2]" 1
170 1 24 MET HB2 1 25 ILE H . . 3.700 2.659 2.514 2.920 . 0 0 "[ . 1 . 2]" 1
171 1 24 MET HB2 1 26 VAL H . . 5.500 5.167 4.970 5.423 . 0 0 "[ . 1 . 2]" 1
172 1 24 MET HB2 1 36 LEU QD . . 4.050 3.534 3.290 3.792 . 0 0 "[ . 1 . 2]" 1
173 1 24 MET HB2 1 38 PHE HZ . . 5.500 3.221 2.719 3.706 . 0 0 "[ . 1 . 2]" 1
174 1 24 MET HB3 1 36 LEU QD . . 3.710 2.603 2.402 2.809 . 0 0 "[ . 1 . 2]" 1
175 1 24 MET HB3 1 38 PHE QE . . 5.500 3.247 2.746 4.090 . 0 0 "[ . 1 . 2]" 1
176 1 24 MET HB3 1 38 PHE HZ . . 4.010 3.503 2.957 4.030 0.020 13 0 "[ . 1 . 2]" 1
177 1 24 MET ME 1 24 MET HG2 . . 3.410 3.286 2.436 3.408 . 0 0 "[ . 1 . 2]" 1
178 1 24 MET ME 1 24 MET HG3 . . 4.010 2.528 2.351 3.400 . 0 0 "[ . 1 . 2]" 1
179 1 24 MET ME 1 36 LEU MD1 . . 3.560 3.407 2.977 3.665 0.105 13 0 "[ . 1 . 2]" 1
180 1 24 MET ME 1 36 LEU QD . . 3.090 2.645 2.219 2.975 . 0 0 "[ . 1 . 2]" 1
181 1 24 MET ME 1 36 LEU MD2 . . 3.560 2.771 2.289 3.282 . 0 0 "[ . 1 . 2]" 1
182 1 24 MET ME 1 36 LEU HG . . 5.300 4.314 3.671 5.339 0.039 15 0 "[ . 1 . 2]" 1
183 1 24 MET ME 1 38 PHE QD . . 5.500 3.033 2.595 3.390 . 0 0 "[ . 1 . 2]" 1
184 1 24 MET ME 1 38 PHE QE . . 5.500 2.321 1.914 2.775 . 0 0 "[ . 1 . 2]" 1
185 1 24 MET ME 1 38 PHE HZ . . 4.170 3.694 3.130 4.214 0.044 16 0 "[ . 1 . 2]" 1
186 1 24 MET ME 1 39 PRO HD2 . . 5.500 4.343 3.612 5.009 . 0 0 "[ . 1 . 2]" 1
187 1 24 MET ME 1 39 PRO HD3 . . 5.500 4.043 3.547 4.648 . 0 0 "[ . 1 . 2]" 1
188 1 24 MET HG2 1 36 LEU QD . . 5.320 4.836 4.402 5.170 . 0 0 "[ . 1 . 2]" 1
189 1 24 MET HG3 1 36 LEU QD . . 5.320 4.622 4.347 5.193 . 0 0 "[ . 1 . 2]" 1
190 1 25 ILE H 1 25 ILE HB . . 2.930 2.384 2.325 2.443 . 0 0 "[ . 1 . 2]" 1
191 1 25 ILE H 1 25 ILE MD . . 4.280 3.709 3.651 3.753 . 0 0 "[ . 1 . 2]" 1
192 1 25 ILE H 1 25 ILE HG12 . . 4.100 3.651 3.574 3.736 . 0 0 "[ . 1 . 2]" 1
193 1 25 ILE H 1 25 ILE QG . . 3.290 2.405 2.307 2.504 . 0 0 "[ . 1 . 2]" 1
194 1 25 ILE H 1 25 ILE HG13 . . 4.100 2.440 2.336 2.544 . 0 0 "[ . 1 . 2]" 1
195 1 25 ILE H 1 25 ILE MG . . 4.010 3.739 3.712 3.764 . 0 0 "[ . 1 . 2]" 1
196 1 25 ILE H 1 26 VAL H . . 3.050 2.650 2.546 2.739 . 0 0 "[ . 1 . 2]" 1
197 1 25 ILE H 1 26 VAL QG . . 4.070 3.943 3.851 4.036 . 0 0 "[ . 1 . 2]" 1
198 1 25 ILE H 1 38 PHE HZ . . 4.840 4.247 4.002 4.616 . 0 0 "[ . 1 . 2]" 1
199 1 25 ILE HA 1 25 ILE MD . . 3.910 3.774 3.742 3.803 . 0 0 "[ . 1 . 2]" 1
200 1 25 ILE HA 1 25 ILE HG12 . . 3.590 2.419 2.365 2.477 . 0 0 "[ . 1 . 2]" 1
201 1 25 ILE HA 1 25 ILE HG13 . . 3.590 2.883 2.823 2.926 . 0 0 "[ . 1 . 2]" 1
202 1 25 ILE HA 1 25 ILE MG . . 3.230 2.523 2.480 2.581 . 0 0 "[ . 1 . 2]" 1
203 1 25 ILE HA 1 26 VAL QG . . 5.440 4.896 4.871 4.936 . 0 0 "[ . 1 . 2]" 1
204 1 25 ILE HA 1 27 GLU H . . 4.840 4.452 4.379 4.586 . 0 0 "[ . 1 . 2]" 1
205 1 25 ILE HA 1 28 PHE H . . 3.600 3.355 3.255 3.487 . 0 0 "[ . 1 . 2]" 1
206 1 25 ILE HA 1 28 PHE QB . . 2.770 2.140 1.985 2.269 . 0 0 "[ . 1 . 2]" 1
207 1 25 ILE HA 1 28 PHE QD . . 3.320 3.054 2.632 3.346 0.026 16 0 "[ . 1 . 2]" 1
208 1 25 ILE HA 1 28 PHE QE . . 5.500 5.125 4.647 5.427 . 0 0 "[ . 1 . 2]" 1
209 1 25 ILE HA 1 29 MET H . . 4.190 4.155 4.004 4.267 0.077 4 0 "[ . 1 . 2]" 1
210 1 25 ILE HA 1 36 LEU QD . . 3.490 2.948 2.403 3.322 . 0 0 "[ . 1 . 2]" 1
211 1 25 ILE HA 1 38 PHE QE . . 5.500 4.867 4.620 5.123 . 0 0 "[ . 1 . 2]" 1
212 1 25 ILE HA 1 38 PHE HZ . . 4.580 4.057 3.737 4.382 . 0 0 "[ . 1 . 2]" 1
213 1 25 ILE HA 1 53 ILE MG . . 5.500 5.203 5.100 5.366 . 0 0 "[ . 1 . 2]" 1
214 1 25 ILE HA 1 59 LEU QD . . 5.500 4.485 4.065 4.769 . 0 0 "[ . 1 . 2]" 1
215 1 25 ILE HA 1 74 VAL MG2 . . 5.500 4.880 4.566 5.146 . 0 0 "[ . 1 . 2]" 1
216 1 25 ILE HB 1 25 ILE MD . . 3.310 2.440 2.398 2.465 . 0 0 "[ . 1 . 2]" 1
217 1 25 ILE HB 1 26 VAL H . . 3.440 2.724 2.598 2.863 . 0 0 "[ . 1 . 2]" 1
218 1 25 ILE MD 1 25 ILE MG . . 2.700 1.942 1.899 1.989 . 0 0 "[ . 1 . 2]" 1
219 1 25 ILE MD 1 28 PHE QD . . 5.500 4.901 4.584 5.122 . 0 0 "[ . 1 . 2]" 1
220 1 25 ILE MD 1 36 LEU QD . . 4.700 4.238 3.759 4.649 . 0 0 "[ . 1 . 2]" 1
221 1 25 ILE MD 1 38 PHE QE . . 5.500 3.837 3.529 4.083 . 0 0 "[ . 1 . 2]" 1
222 1 25 ILE MD 1 38 PHE HZ . . 5.500 3.507 3.150 3.859 . 0 0 "[ . 1 . 2]" 1
223 1 25 ILE MD 1 50 VAL HA . . 3.750 2.585 2.190 2.945 . 0 0 "[ . 1 . 2]" 1
224 1 25 ILE MD 1 50 VAL MG1 . . 3.130 1.949 1.864 2.072 . 0 0 "[ . 1 . 2]" 1
225 1 25 ILE MD 1 50 VAL MG2 . . 3.840 3.185 2.780 3.443 . 0 0 "[ . 1 . 2]" 1
226 1 25 ILE MD 1 53 ILE H . . 4.630 4.154 3.954 4.443 . 0 0 "[ . 1 . 2]" 1
227 1 25 ILE MD 1 53 ILE HB . . 3.680 2.264 2.053 2.498 . 0 0 "[ . 1 . 2]" 1
228 1 25 ILE MD 1 53 ILE MG . . 2.620 2.039 1.949 2.150 . 0 0 "[ . 1 . 2]" 1
229 1 25 ILE MD 1 54 ALA H . . 3.910 3.002 2.772 3.232 . 0 0 "[ . 1 . 2]" 1
230 1 25 ILE MD 1 54 ALA HA . . 4.660 3.127 2.796 3.482 . 0 0 "[ . 1 . 2]" 1
231 1 25 ILE MD 1 54 ALA MB . . 3.940 2.546 2.214 2.857 . 0 0 "[ . 1 . 2]" 1
232 1 25 ILE MD 1 57 HIS HD2 . . 5.500 5.164 4.499 5.528 0.028 16 0 "[ . 1 . 2]" 1
233 1 25 ILE QG 1 36 LEU QD . . 3.630 3.037 2.558 3.431 . 0 0 "[ . 1 . 2]" 1
234 1 25 ILE QG 1 38 PHE QE . . 4.030 3.323 3.166 3.588 . 0 0 "[ . 1 . 2]" 1
235 1 25 ILE QG 1 38 PHE HZ . . 3.260 2.526 2.289 2.835 . 0 0 "[ . 1 . 2]" 1
236 1 25 ILE QG 1 74 VAL MG2 . . 4.120 2.984 2.601 3.323 . 0 0 "[ . 1 . 2]" 1
237 1 25 ILE HG12 1 25 ILE MG . . 3.370 2.400 2.369 2.426 . 0 0 "[ . 1 . 2]" 1
238 1 25 ILE HG13 1 25 ILE MG . . 3.370 3.208 3.201 3.217 . 0 0 "[ . 1 . 2]" 1
239 1 25 ILE MG 1 26 VAL H . . 3.830 3.223 3.007 3.349 . 0 0 "[ . 1 . 2]" 1
240 1 25 ILE MG 1 26 VAL HA . . 3.870 3.103 2.936 3.225 . 0 0 "[ . 1 . 2]" 1
241 1 25 ILE MG 1 26 VAL HB . . 4.480 4.092 3.793 4.281 . 0 0 "[ . 1 . 2]" 1
242 1 25 ILE MG 1 26 VAL QG . . 4.700 4.029 3.859 4.137 . 0 0 "[ . 1 . 2]" 1
243 1 25 ILE MG 1 28 PHE H . . 4.660 4.543 4.421 4.649 . 0 0 "[ . 1 . 2]" 1
244 1 25 ILE MG 1 28 PHE QB . . 4.050 3.442 3.178 3.758 . 0 0 "[ . 1 . 2]" 1
245 1 25 ILE MG 1 28 PHE QD . . 5.500 2.825 2.531 3.061 . 0 0 "[ . 1 . 2]" 1
246 1 25 ILE MG 1 28 PHE QE . . 5.500 4.191 3.493 4.453 . 0 0 "[ . 1 . 2]" 1
247 1 25 ILE MG 1 29 MET H . . 4.360 3.977 3.829 4.173 . 0 0 "[ . 1 . 2]" 1
248 1 25 ILE MG 1 29 MET ME . . 3.920 3.511 2.070 4.024 0.104 11 0 "[ . 1 . 2]" 1
249 1 25 ILE MG 1 29 MET HG2 . . 4.170 3.667 3.406 4.145 . 0 0 "[ . 1 . 2]" 1
250 1 25 ILE MG 1 29 MET QG . . 3.490 2.682 2.467 3.079 . 0 0 "[ . 1 . 2]" 1
251 1 25 ILE MG 1 29 MET HG3 . . 4.170 2.760 2.530 3.175 . 0 0 "[ . 1 . 2]" 1
252 1 25 ILE MG 1 38 PHE QE . . 5.500 5.104 4.852 5.395 . 0 0 "[ . 1 . 2]" 1
253 1 25 ILE MG 1 38 PHE HZ . . 5.500 4.900 4.532 5.222 . 0 0 "[ . 1 . 2]" 1
254 1 25 ILE MG 1 53 ILE MG . . 2.470 2.451 2.220 2.574 0.104 17 0 "[ . 1 . 2]" 1
255 1 25 ILE MG 1 54 ALA HA . . 4.120 3.172 2.778 3.449 . 0 0 "[ . 1 . 2]" 1
256 1 25 ILE MG 1 54 ALA MB . . 5.030 3.470 3.111 3.761 . 0 0 "[ . 1 . 2]" 1
257 1 25 ILE MG 1 57 HIS HB2 . . 5.050 3.589 3.170 3.961 . 0 0 "[ . 1 . 2]" 1
258 1 25 ILE MG 1 57 HIS HB3 . . 4.440 4.032 3.584 4.344 . 0 0 "[ . 1 . 2]" 1
259 1 25 ILE MG 1 57 HIS HE1 . . 5.500 3.442 2.857 4.362 . 0 0 "[ . 1 . 2]" 1
260 1 25 ILE MG 1 74 VAL MG1 . . 4.990 3.008 2.671 3.385 . 0 0 "[ . 1 . 2]" 1
261 1 26 VAL H 1 26 VAL HB . . 2.860 2.545 2.521 2.591 . 0 0 "[ . 1 . 2]" 1
262 1 26 VAL H 1 26 VAL QG . . 2.870 2.182 2.137 2.265 . 0 0 "[ . 1 . 2]" 1
263 1 26 VAL H 1 27 GLU H . . 3.090 2.664 2.615 2.713 . 0 0 "[ . 1 . 2]" 1
264 1 26 VAL HA 1 26 VAL MG1 . . 3.280 3.219 3.215 3.222 . 0 0 "[ . 1 . 2]" 1
265 1 26 VAL HA 1 26 VAL QG . . 2.750 2.262 2.233 2.280 . 0 0 "[ . 1 . 2]" 1
266 1 26 VAL HA 1 26 VAL MG2 . . 3.280 2.311 2.277 2.331 . 0 0 "[ . 1 . 2]" 1
267 1 26 VAL HA 1 27 GLU HA . . 4.810 4.715 4.656 4.813 0.003 16 0 "[ . 1 . 2]" 1
268 1 26 VAL HA 1 29 MET QB . . 3.460 3.030 2.499 3.501 0.041 14 0 "[ . 1 . 2]" 1
269 1 26 VAL HA 1 29 MET ME . . 3.830 2.785 1.876 3.843 0.013 12 0 "[ . 1 . 2]" 1
270 1 26 VAL HA 1 29 MET QG . . 3.910 3.011 2.608 3.511 . 0 0 "[ . 1 . 2]" 1
271 1 26 VAL HA 1 30 ALA MB . . 5.500 5.229 4.654 5.547 0.047 8 0 "[ . 1 . 2]" 1
272 1 26 VAL QG 1 27 GLU H . . 3.340 2.183 2.088 2.231 . 0 0 "[ . 1 . 2]" 1
273 1 26 VAL QG 1 27 GLU HA . . 3.750 3.156 3.130 3.185 . 0 0 "[ . 1 . 2]" 1
274 1 26 VAL QG 1 28 PHE H . . 4.610 4.024 3.942 4.165 . 0 0 "[ . 1 . 2]" 1
275 1 26 VAL QG 1 30 ALA H . . 5.200 4.438 3.929 4.824 . 0 0 "[ . 1 . 2]" 1
276 1 26 VAL MG1 1 27 GLU H . . 3.950 2.197 2.099 2.246 . 0 0 "[ . 1 . 2]" 1
277 1 26 VAL MG2 1 27 GLU H . . 3.950 3.770 3.686 3.861 . 0 0 "[ . 1 . 2]" 1
278 1 27 GLU H 1 27 GLU QB . . 2.500 2.410 2.352 2.501 0.001 16 0 "[ . 1 . 2]" 1
279 1 27 GLU H 1 27 GLU HG2 . . 4.010 3.514 3.330 3.696 . 0 0 "[ . 1 . 2]" 1
280 1 27 GLU H 1 27 GLU HG3 . . 3.840 2.420 2.177 2.565 . 0 0 "[ . 1 . 2]" 1
281 1 27 GLU H 1 28 PHE HA . . 5.160 5.106 5.007 5.227 0.067 16 0 "[ . 1 . 2]" 1
282 1 27 GLU H 1 28 PHE QB . . 4.280 4.115 4.034 4.224 . 0 0 "[ . 1 . 2]" 1
283 1 27 GLU HA 1 27 GLU QB . . 2.550 2.385 2.353 2.408 . 0 0 "[ . 1 . 2]" 1
284 1 27 GLU HA 1 27 GLU HG2 . . 2.850 2.486 2.393 2.620 . 0 0 "[ . 1 . 2]" 1
285 1 27 GLU HA 1 27 GLU HG3 . . 3.520 3.105 2.962 3.264 . 0 0 "[ . 1 . 2]" 1
286 1 27 GLU HA 1 28 PHE QB . . 5.500 5.121 5.063 5.156 . 0 0 "[ . 1 . 2]" 1
287 1 27 GLU HA 1 29 MET H . . 4.690 4.199 4.057 4.485 . 0 0 "[ . 1 . 2]" 1
288 1 27 GLU HA 1 30 ALA H . . 3.770 3.312 2.984 3.588 . 0 0 "[ . 1 . 2]" 1
289 1 27 GLU HA 1 30 ALA MB . . 3.400 2.813 2.281 3.295 . 0 0 "[ . 1 . 2]" 1
290 1 27 GLU QB 1 28 PHE H . . 3.080 2.720 2.367 2.963 . 0 0 "[ . 1 . 2]" 1
291 1 27 GLU QB 1 28 PHE HA . . 5.200 3.985 3.744 4.108 . 0 0 "[ . 1 . 2]" 1
292 1 27 GLU QB 1 36 LEU QD . . 5.440 4.773 4.148 5.100 . 0 0 "[ . 1 . 2]" 1
293 1 27 GLU HG3 1 28 PHE H . . 4.630 4.373 4.107 4.536 . 0 0 "[ . 1 . 2]" 1
294 1 28 PHE H 1 28 PHE QB . . 2.650 2.154 2.071 2.186 . 0 0 "[ . 1 . 2]" 1
295 1 28 PHE H 1 28 PHE QD . . 4.100 4.075 3.815 4.126 0.026 7 0 "[ . 1 . 2]" 1
296 1 28 PHE H 1 29 MET H . . 3.220 2.686 2.539 2.822 . 0 0 "[ . 1 . 2]" 1
297 1 28 PHE H 1 29 MET QG . . 4.980 4.317 4.141 4.589 . 0 0 "[ . 1 . 2]" 1
298 1 28 PHE H 1 36 LEU QD . . 4.160 3.965 3.517 4.174 0.014 6 0 "[ . 1 . 2]" 1
299 1 28 PHE HA 1 28 PHE QD . . 3.100 2.676 2.487 3.047 . 0 0 "[ . 1 . 2]" 1
300 1 28 PHE HA 1 30 ALA H . . 4.760 4.083 3.674 4.400 . 0 0 "[ . 1 . 2]" 1
301 1 28 PHE HA 1 31 SER H . . 3.850 3.330 3.124 3.471 . 0 0 "[ . 1 . 2]" 1
302 1 28 PHE HA 1 33 LYS HB2 . . 5.500 4.068 3.392 4.770 . 0 0 "[ . 1 . 2]" 1
303 1 28 PHE HA 1 36 LEU MD1 . . 5.500 4.318 3.904 4.792 . 0 0 "[ . 1 . 2]" 1
304 1 28 PHE HA 1 36 LEU QD . . 4.330 3.775 3.427 4.048 . 0 0 "[ . 1 . 2]" 1
305 1 28 PHE HA 1 36 LEU MD2 . . 5.500 4.393 3.626 5.542 0.042 15 0 "[ . 1 . 2]" 1
306 1 28 PHE QB 1 29 MET H . . 3.220 2.692 2.538 2.892 . 0 0 "[ . 1 . 2]" 1
307 1 28 PHE QB 1 30 ALA H . . 5.260 4.676 4.408 4.860 . 0 0 "[ . 1 . 2]" 1
308 1 28 PHE QB 1 36 LEU QB . . 5.300 3.253 2.946 3.644 . 0 0 "[ . 1 . 2]" 1
309 1 28 PHE QB 1 36 LEU MD1 . . 3.820 2.949 1.851 3.729 . 0 0 "[ . 1 . 2]" 1
310 1 28 PHE QB 1 36 LEU QD . . 2.910 1.971 1.847 2.132 . 0 0 "[ . 1 . 2]" 1
311 1 28 PHE QB 1 36 LEU MD2 . . 3.820 2.462 1.859 3.884 0.064 10 0 "[ . 1 . 2]" 1
312 1 28 PHE QD 1 29 MET H . . 3.890 3.434 3.021 3.661 . 0 0 "[ . 1 . 2]" 1
313 1 28 PHE QD 1 29 MET HA . . 5.500 3.894 3.549 4.096 . 0 0 "[ . 1 . 2]" 1
314 1 28 PHE QD 1 29 MET HG2 . . 5.500 3.556 2.938 4.018 . 0 0 "[ . 1 . 2]" 1
315 1 28 PHE QD 1 29 MET HG3 . . 5.500 3.177 2.597 3.831 . 0 0 "[ . 1 . 2]" 1
316 1 28 PHE QD 1 33 LYS H . . 4.810 4.443 3.829 4.735 . 0 0 "[ . 1 . 2]" 1
317 1 28 PHE QD 1 33 LYS HB2 . . 5.500 2.435 1.941 3.308 . 0 0 "[ . 1 . 2]" 1
318 1 28 PHE QD 1 33 LYS HB3 . . 5.500 3.411 2.862 3.957 . 0 0 "[ . 1 . 2]" 1
319 1 28 PHE QD 1 33 LYS QD . . 5.500 2.979 2.014 4.194 . 0 0 "[ . 1 . 2]" 1
320 1 28 PHE QD 1 33 LYS QG . . 5.340 4.134 3.587 5.080 . 0 0 "[ . 1 . 2]" 1
321 1 28 PHE QD 1 35 GLN HA . . 5.500 5.190 4.811 5.470 . 0 0 "[ . 1 . 2]" 1
322 1 28 PHE QD 1 36 LEU HA . . 4.370 4.137 3.699 4.380 0.010 6 0 "[ . 1 . 2]" 1
323 1 28 PHE QD 1 36 LEU HB2 . . 5.500 2.752 2.184 3.393 . 0 0 "[ . 1 . 2]" 1
324 1 28 PHE QD 1 36 LEU HB3 . . 5.500 4.052 3.643 4.620 . 0 0 "[ . 1 . 2]" 1
325 1 28 PHE QD 1 36 LEU MD1 . . 5.500 2.955 2.668 3.270 . 0 0 "[ . 1 . 2]" 1
326 1 28 PHE QD 1 36 LEU MD2 . . 5.500 3.361 2.909 4.385 . 0 0 "[ . 1 . 2]" 1
327 1 28 PHE QD 1 59 LEU QD . . 5.500 2.946 2.452 3.319 . 0 0 "[ . 1 . 2]" 1
328 1 28 PHE QD 1 74 VAL MG1 . . 5.500 3.323 3.114 3.733 . 0 0 "[ . 1 . 2]" 1
329 1 28 PHE QD 1 74 VAL MG2 . . 5.500 4.822 4.576 5.100 . 0 0 "[ . 1 . 2]" 1
330 1 28 PHE QD 1 76 LYS QD . . 5.500 3.973 3.320 5.121 . 0 0 "[ . 1 . 2]" 1
331 1 28 PHE QD 1 76 LYS QG . . 4.990 3.656 3.418 4.035 . 0 0 "[ . 1 . 2]" 1
332 1 28 PHE QE 1 33 LYS H . . 5.220 4.738 4.027 5.213 . 0 0 "[ . 1 . 2]" 1
333 1 28 PHE QE 1 33 LYS HA . . 4.710 4.384 4.143 4.711 0.001 6 0 "[ . 1 . 2]" 1
334 1 28 PHE QE 1 33 LYS HB2 . . 5.500 2.672 2.240 3.180 . 0 0 "[ . 1 . 2]" 1
335 1 28 PHE QE 1 33 LYS HB3 . . 3.170 2.532 2.217 2.986 . 0 0 "[ . 1 . 2]" 1
336 1 28 PHE QE 1 33 LYS QD . . 4.070 3.808 3.315 4.151 0.081 5 0 "[ . 1 . 2]" 1
337 1 28 PHE QE 1 34 MET QB . . 5.340 5.069 4.715 5.412 0.072 4 0 "[ . 1 . 2]" 1
338 1 28 PHE QE 1 35 GLN H . . 3.430 2.962 2.605 3.260 . 0 0 "[ . 1 . 2]" 1
339 1 28 PHE QE 1 35 GLN HA . . 3.420 3.171 2.669 3.415 . 0 0 "[ . 1 . 2]" 1
340 1 28 PHE QE 1 36 LEU H . . 4.500 3.244 2.966 3.454 . 0 0 "[ . 1 . 2]" 1
341 1 28 PHE QE 1 36 LEU HA . . 4.850 3.639 3.563 3.759 . 0 0 "[ . 1 . 2]" 1
342 1 28 PHE QE 1 36 LEU HB2 . . 5.500 2.889 2.559 3.227 . 0 0 "[ . 1 . 2]" 1
343 1 28 PHE QE 1 36 LEU HB3 . . 5.500 3.955 3.702 4.495 . 0 0 "[ . 1 . 2]" 1
344 1 28 PHE QE 1 36 LEU MD1 . . 5.500 3.969 3.737 4.264 . 0 0 "[ . 1 . 2]" 1
345 1 28 PHE QE 1 36 LEU MD2 . . 5.500 4.334 3.934 5.127 . 0 0 "[ . 1 . 2]" 1
346 1 28 PHE QE 1 37 GLU H . . 5.500 5.523 5.311 5.591 0.091 14 0 "[ . 1 . 2]" 1
347 1 28 PHE QE 1 59 LEU QD . . 5.500 2.516 2.057 2.864 . 0 0 "[ . 1 . 2]" 1
348 1 28 PHE QE 1 74 VAL MG1 . . 5.500 2.284 2.137 2.450 . 0 0 "[ . 1 . 2]" 1
349 1 28 PHE QE 1 74 VAL MG2 . . 5.500 4.599 4.410 4.817 . 0 0 "[ . 1 . 2]" 1
350 1 28 PHE QE 1 75 SER HA . . 4.210 3.652 3.101 4.033 . 0 0 "[ . 1 . 2]" 1
351 1 28 PHE QE 1 76 LYS H . . 4.190 3.606 3.172 3.985 . 0 0 "[ . 1 . 2]" 1
352 1 28 PHE QE 1 76 LYS HA . . 4.260 3.790 3.141 4.345 0.085 19 0 "[ . 1 . 2]" 1
353 1 28 PHE QE 1 76 LYS QB . . 4.560 4.228 4.080 4.504 . 0 0 "[ . 1 . 2]" 1
354 1 28 PHE QE 1 76 LYS HG2 . . 4.100 3.178 2.808 3.598 . 0 0 "[ . 1 . 2]" 1
355 1 28 PHE QE 1 76 LYS QG . . 3.270 2.495 2.173 2.798 . 0 0 "[ . 1 . 2]" 1
356 1 28 PHE QE 1 76 LYS HG3 . . 4.100 2.651 2.235 3.289 . 0 0 "[ . 1 . 2]" 1
357 1 28 PHE HZ 1 33 LYS HB3 . . 5.500 4.815 4.452 5.433 . 0 0 "[ . 1 . 2]" 1
358 1 28 PHE HZ 1 35 GLN H . . 4.310 3.889 3.659 4.320 0.010 1 0 "[ . 1 . 2]" 1
359 1 28 PHE HZ 1 35 GLN HA . . 3.220 2.364 1.839 2.809 . 0 0 "[ . 1 . 2]" 1
360 1 28 PHE HZ 1 35 GLN HB2 . . 5.500 4.918 4.160 5.535 0.035 16 0 "[ . 1 . 2]" 1
361 1 28 PHE HZ 1 35 GLN HB3 . . 5.500 4.733 4.018 5.321 . 0 0 "[ . 1 . 2]" 1
362 1 28 PHE HZ 1 36 LEU H . . 4.370 2.979 2.589 3.453 . 0 0 "[ . 1 . 2]" 1
363 1 28 PHE HZ 1 59 LEU QD . . 5.500 4.387 3.916 4.761 . 0 0 "[ . 1 . 2]" 1
364 1 28 PHE HZ 1 74 VAL MG1 . . 5.500 3.735 3.437 4.000 . 0 0 "[ . 1 . 2]" 1
365 1 28 PHE HZ 1 74 VAL MG2 . . 5.500 5.564 5.474 5.598 0.098 13 0 "[ . 1 . 2]" 1
366 1 28 PHE HZ 1 75 SER HA . . 3.240 2.567 2.223 3.042 . 0 0 "[ . 1 . 2]" 1
367 1 28 PHE HZ 1 75 SER QB . . 5.340 4.539 3.977 5.044 . 0 0 "[ . 1 . 2]" 1
368 1 28 PHE HZ 1 76 LYS H . . 3.470 2.717 2.390 3.010 . 0 0 "[ . 1 . 2]" 1
369 1 28 PHE HZ 1 76 LYS QB . . 4.380 4.019 3.786 4.377 . 0 0 "[ . 1 . 2]" 1
370 1 28 PHE HZ 1 76 LYS QD . . 5.300 3.906 3.049 4.756 . 0 0 "[ . 1 . 2]" 1
371 1 28 PHE HZ 1 76 LYS QG . . 3.400 2.503 2.180 2.849 . 0 0 "[ . 1 . 2]" 1
372 1 29 MET H 1 29 MET QB . . 2.900 2.439 2.363 2.513 . 0 0 "[ . 1 . 2]" 1
373 1 29 MET H 1 29 MET HG2 . . 3.900 3.400 3.171 3.667 . 0 0 "[ . 1 . 2]" 1
374 1 29 MET H 1 29 MET QG . . 3.090 2.263 2.084 2.458 . 0 0 "[ . 1 . 2]" 1
375 1 29 MET H 1 29 MET HG3 . . 3.900 2.300 2.101 2.502 . 0 0 "[ . 1 . 2]" 1
376 1 29 MET H 1 30 ALA H . . 3.200 2.624 2.492 2.688 . 0 0 "[ . 1 . 2]" 1
377 1 29 MET H 1 30 ALA MB . . 4.410 4.356 4.186 4.430 0.020 1 0 "[ . 1 . 2]" 1
378 1 29 MET H 1 31 SER H . . 4.350 3.924 3.749 4.047 . 0 0 "[ . 1 . 2]" 1
379 1 29 MET H 1 59 LEU QD . . 4.810 4.386 3.999 4.633 . 0 0 "[ . 1 . 2]" 1
380 1 29 MET HA 1 29 MET ME . . 4.620 4.282 4.021 4.496 . 0 0 "[ . 1 . 2]" 1
381 1 29 MET HA 1 29 MET HG2 . . 4.010 2.506 2.363 2.652 . 0 0 "[ . 1 . 2]" 1
382 1 29 MET HA 1 29 MET QG . . 3.340 2.392 2.299 2.467 . 0 0 "[ . 1 . 2]" 1
383 1 29 MET HA 1 29 MET HG3 . . 4.010 3.085 2.864 3.295 . 0 0 "[ . 1 . 2]" 1
384 1 29 MET HA 1 30 ALA MB . . 5.130 4.953 4.861 5.012 . 0 0 "[ . 1 . 2]" 1
385 1 29 MET HA 1 31 SER H . . 4.350 3.896 3.483 4.281 . 0 0 "[ . 1 . 2]" 1
386 1 29 MET HA 1 59 LEU QD . . 4.990 3.787 3.246 4.074 . 0 0 "[ . 1 . 2]" 1
387 1 29 MET HA 1 76 LYS QG . . 3.560 3.116 2.418 3.626 0.066 5 0 "[ . 1 . 2]" 1
388 1 29 MET QB 1 30 ALA H . . 3.350 2.818 2.569 3.239 . 0 0 "[ . 1 . 2]" 1
389 1 29 MET QB 1 31 SER H . . 4.950 4.513 4.324 4.696 . 0 0 "[ . 1 . 2]" 1
390 1 29 MET QB 1 59 LEU QD . . 5.080 3.552 3.308 3.836 . 0 0 "[ . 1 . 2]" 1
391 1 29 MET ME 1 57 HIS HA . . 4.750 4.660 3.940 4.900 0.150 2 0 "[ . 1 . 2]" 1
392 1 29 MET ME 1 57 HIS HB2 . . 5.500 4.608 4.085 5.033 . 0 0 "[ . 1 . 2]" 1
393 1 29 MET ME 1 57 HIS HB3 . . 3.910 3.427 2.683 3.906 . 0 0 "[ . 1 . 2]" 1
394 1 29 MET ME 1 57 HIS HE1 . . 5.500 3.318 2.550 4.384 . 0 0 "[ . 1 . 2]" 1
395 1 29 MET ME 1 59 LEU QD . . 3.460 3.135 2.340 3.612 0.152 15 0 "[ . 1 . 2]" 1
396 1 29 MET QG 1 30 ALA H . . 4.530 4.157 4.063 4.362 . 0 0 "[ . 1 . 2]" 1
397 1 29 MET HG2 1 59 LEU QD . . 3.640 2.117 1.875 2.453 . 0 0 "[ . 1 . 2]" 1
398 1 29 MET HG3 1 59 LEU QD . . 3.640 2.771 2.544 3.065 . 0 0 "[ . 1 . 2]" 1
399 1 30 ALA H 1 30 ALA MB . . 2.690 2.303 2.254 2.401 . 0 0 "[ . 1 . 2]" 1
400 1 30 ALA H 1 31 SER H . . 2.900 2.365 2.200 2.529 . 0 0 "[ . 1 . 2]" 1
401 1 30 ALA H 1 31 SER QB . . 4.420 4.130 3.657 4.490 0.070 18 0 "[ . 1 . 2]" 1
402 1 30 ALA MB 1 31 SER H . . 3.600 3.186 2.770 3.471 . 0 0 "[ . 1 . 2]" 1
403 1 30 ALA MB 1 31 SER HA . . 4.440 4.000 3.891 4.096 . 0 0 "[ . 1 . 2]" 1
404 1 30 ALA MB 1 31 SER QB . . 4.850 4.275 3.807 4.733 . 0 0 "[ . 1 . 2]" 1
405 1 31 SER H 1 31 SER QB . . 2.880 2.384 2.271 2.694 . 0 0 "[ . 1 . 2]" 1
406 1 31 SER H 1 33 LYS H . . 4.990 4.552 3.243 5.039 0.049 9 0 "[ . 1 . 2]" 1
407 1 31 SER HA 1 33 LYS H . . 4.540 4.133 3.916 4.459 . 0 0 "[ . 1 . 2]" 1
408 1 31 SER QB 1 32 LYS H . . 4.310 2.834 1.972 3.533 . 0 0 "[ . 1 . 2]" 1
409 1 31 SER QB 1 33 LYS H . . 3.090 2.680 2.247 3.019 . 0 0 "[ . 1 . 2]" 1
410 1 32 LYS H 1 33 LYS H . . 3.800 2.440 2.228 2.662 . 0 0 "[ . 1 . 2]" 1
411 1 33 LYS H 1 33 LYS HB2 . . 3.690 2.475 2.308 2.846 . 0 0 "[ . 1 . 2]" 1
412 1 33 LYS H 1 33 LYS HB3 . . 3.650 3.592 3.558 3.631 . 0 0 "[ . 1 . 2]" 1
413 1 33 LYS H 1 33 LYS QG . . 3.120 2.347 1.766 2.938 . 0 0 "[ . 1 . 2]" 1
414 1 33 LYS H 1 34 MET H . . 4.610 4.533 4.400 4.611 0.001 2 0 "[ . 1 . 2]" 1
415 1 33 LYS HA 1 33 LYS QD . . 4.470 4.061 3.905 4.285 . 0 0 "[ . 1 . 2]" 1
416 1 33 LYS HA 1 33 LYS QE . . 5.330 4.652 3.795 5.278 . 0 0 "[ . 1 . 2]" 1
417 1 33 LYS HA 1 33 LYS HG2 . . 3.480 2.562 2.346 2.896 . 0 0 "[ . 1 . 2]" 1
418 1 33 LYS HA 1 33 LYS HG3 . . 3.480 3.070 2.888 3.356 . 0 0 "[ . 1 . 2]" 1
419 1 33 LYS HA 1 34 MET QG . . 5.220 4.124 3.613 5.257 0.037 5 0 "[ . 1 . 2]" 1
420 1 33 LYS HA 1 35 GLN H . . 4.000 3.633 3.321 3.989 . 0 0 "[ . 1 . 2]" 1
421 1 33 LYS HB2 1 35 GLN H . . 4.180 4.173 4.006 4.277 0.097 18 0 "[ . 1 . 2]" 1
422 1 33 LYS HB2 1 36 LEU QD . . 5.440 4.251 3.763 5.007 . 0 0 "[ . 1 . 2]" 1
423 1 33 LYS HB3 1 35 GLN H . . 3.470 2.848 2.675 3.240 . 0 0 "[ . 1 . 2]" 1
424 1 33 LYS HB3 1 36 LEU QD . . 5.440 4.331 3.589 5.065 . 0 0 "[ . 1 . 2]" 1
425 1 33 LYS QD 1 36 LEU HA . . 4.930 3.700 3.180 4.354 . 0 0 "[ . 1 . 2]" 1
426 1 33 LYS QE 1 33 LYS HG2 . . 3.780 2.698 2.247 3.305 . 0 0 "[ . 1 . 2]" 1
427 1 33 LYS QE 1 33 LYS HG3 . . 3.780 2.842 2.325 3.505 . 0 0 "[ . 1 . 2]" 1
428 1 33 LYS QE 1 36 LEU HA . . 5.500 4.474 2.208 5.545 0.045 20 0 "[ . 1 . 2]" 1
429 1 33 LYS QE 1 36 LEU QD . . 4.590 3.419 2.100 4.618 0.028 6 0 "[ . 1 . 2]" 1
430 1 33 LYS QG 1 35 GLN H . . 5.010 4.534 4.191 4.973 . 0 0 "[ . 1 . 2]" 1
431 1 34 MET H 1 34 MET QB . . 3.590 2.534 2.200 2.853 . 0 0 "[ . 1 . 2]" 1
432 1 34 MET H 1 34 MET QG . . 4.490 2.540 2.014 3.697 . 0 0 "[ . 1 . 2]" 1
433 1 34 MET H 1 35 GLN H . . 3.310 2.273 1.978 2.561 . 0 0 "[ . 1 . 2]" 1
434 1 34 MET HA 1 76 LYS QB . . 3.670 2.907 2.504 3.327 . 0 0 "[ . 1 . 2]" 1
435 1 34 MET HA 1 76 LYS QD . . 5.050 3.141 2.049 4.655 . 0 0 "[ . 1 . 2]" 1
436 1 34 MET HA 1 76 LYS QG . . 4.330 3.524 2.818 4.224 . 0 0 "[ . 1 . 2]" 1
437 1 34 MET QB 1 35 GLN H . . 3.930 3.346 2.855 3.729 . 0 0 "[ . 1 . 2]" 1
438 1 34 MET HB2 1 35 GLN H . . 4.480 3.622 2.931 4.150 . 0 0 "[ . 1 . 2]" 1
439 1 34 MET HB3 1 35 GLN H . . 4.480 4.038 3.556 4.240 . 0 0 "[ . 1 . 2]" 1
440 1 34 MET ME 1 34 MET QG . . 3.470 2.334 2.217 2.471 . 0 0 "[ . 1 . 2]" 1
441 1 34 MET QG 1 35 GLN H . . 5.340 3.371 2.345 4.670 . 0 0 "[ . 1 . 2]" 1
442 1 35 GLN H 1 36 LEU H . . 4.720 4.238 4.060 4.361 . 0 0 "[ . 1 . 2]" 1
443 1 35 GLN H 1 75 SER HA . . 5.500 4.690 4.464 4.843 . 0 0 "[ . 1 . 2]" 1
444 1 35 GLN HA 1 36 LEU H . . 2.930 2.167 2.111 2.306 . 0 0 "[ . 1 . 2]" 1
445 1 35 GLN HA 1 36 LEU QB . . 5.340 4.002 3.879 4.078 . 0 0 "[ . 1 . 2]" 1
446 1 35 GLN HA 1 73 THR MG . . 4.250 3.538 3.185 4.047 . 0 0 "[ . 1 . 2]" 1
447 1 35 GLN HA 1 75 SER HA . . 3.430 2.219 2.017 2.364 . 0 0 "[ . 1 . 2]" 1
448 1 35 GLN HA 1 75 SER QB . . 3.990 3.595 3.061 3.899 . 0 0 "[ . 1 . 2]" 1
449 1 35 GLN HA 1 76 LYS H . . 3.820 3.525 2.988 3.782 . 0 0 "[ . 1 . 2]" 1
450 1 35 GLN QB 1 73 THR MG . . 3.220 2.216 1.921 3.556 0.336 20 0 "[ . 1 . 2]" 1
451 1 35 GLN QB 1 75 SER HA . . 3.950 3.492 2.108 4.193 0.243 12 0 "[ . 1 . 2]" 1
452 1 35 GLN QE 1 35 GLN QG . . 3.050 2.501 2.132 2.697 . 0 0 "[ . 1 . 2]" 1
453 1 35 GLN QE 1 73 THR MG . . 3.520 2.246 1.792 3.074 . 0 0 "[ . 1 . 2]" 1
454 1 35 GLN QE 1 75 SER QB . . 4.340 3.763 2.497 4.440 0.100 5 0 "[ . 1 . 2]" 1
455 1 35 GLN HE21 1 73 THR HB . . 5.500 4.536 3.483 5.521 0.021 12 0 "[ . 1 . 2]" 1
456 1 35 GLN HE21 1 73 THR MG . . 4.070 2.380 1.816 3.812 . 0 0 "[ . 1 . 2]" 1
457 1 35 GLN HE22 1 73 THR HB . . 5.500 5.086 4.264 5.541 0.041 10 0 "[ . 1 . 2]" 1
458 1 35 GLN HE22 1 73 THR MG . . 4.070 3.036 2.714 3.299 . 0 0 "[ . 1 . 2]" 1
459 1 35 GLN QG 1 36 LEU H . . 4.620 4.001 2.855 4.399 . 0 0 "[ . 1 . 2]" 1
460 1 35 GLN QG 1 73 THR MG . . 4.000 3.124 1.851 3.527 . 0 0 "[ . 1 . 2]" 1
461 1 36 LEU H 1 36 LEU HB2 . . 3.780 2.795 2.330 3.077 . 0 0 "[ . 1 . 2]" 1
462 1 36 LEU H 1 36 LEU QB . . 3.180 2.383 2.244 2.496 . 0 0 "[ . 1 . 2]" 1
463 1 36 LEU H 1 36 LEU HB3 . . 3.780 2.655 2.468 2.953 . 0 0 "[ . 1 . 2]" 1
464 1 36 LEU H 1 37 GLU H . . 4.090 4.119 4.020 4.186 0.096 16 0 "[ . 1 . 2]" 1
465 1 36 LEU H 1 73 THR MG . . 3.640 3.177 2.689 3.629 . 0 0 "[ . 1 . 2]" 1
466 1 36 LEU H 1 74 VAL H . . 3.610 2.973 2.805 3.217 . 0 0 "[ . 1 . 2]" 1
467 1 36 LEU H 1 74 VAL HB . . 3.550 3.283 3.017 3.542 . 0 0 "[ . 1 . 2]" 1
468 1 36 LEU H 1 75 SER HA . . 3.990 3.517 3.354 3.649 . 0 0 "[ . 1 . 2]" 1
469 1 36 LEU HA 1 36 LEU MD1 . . 4.000 2.503 1.999 3.824 . 0 0 "[ . 1 . 2]" 1
470 1 36 LEU HA 1 36 LEU QD . . 2.800 2.115 1.992 2.377 . 0 0 "[ . 1 . 2]" 1
471 1 36 LEU HA 1 36 LEU MD2 . . 4.000 3.473 2.260 3.904 . 0 0 "[ . 1 . 2]" 1
472 1 36 LEU HA 1 36 LEU HG . . 3.880 2.995 2.511 3.216 . 0 0 "[ . 1 . 2]" 1
473 1 36 LEU HA 1 37 GLU H . . 2.640 2.134 2.087 2.194 . 0 0 "[ . 1 . 2]" 1
474 1 36 LEU QB 1 36 LEU QD . . 2.500 1.950 1.927 1.966 . 0 0 "[ . 1 . 2]" 1
475 1 36 LEU QB 1 37 GLU H . . 4.350 3.898 3.846 3.970 . 0 0 "[ . 1 . 2]" 1
476 1 36 LEU QB 1 74 VAL H . . 4.720 3.018 2.655 3.326 . 0 0 "[ . 1 . 2]" 1
477 1 36 LEU QB 1 74 VAL HB . . 4.760 2.389 2.142 2.594 . 0 0 "[ . 1 . 2]" 1
478 1 36 LEU HB2 1 36 LEU MD1 . . 3.380 2.373 2.323 2.418 . 0 0 "[ . 1 . 2]" 1
479 1 36 LEU HB2 1 36 LEU MD2 . . 3.380 2.581 2.341 3.215 . 0 0 "[ . 1 . 2]" 1
480 1 36 LEU HB2 1 38 PHE QE . . 5.500 4.490 3.757 4.825 . 0 0 "[ . 1 . 2]" 1
481 1 36 LEU HB3 1 36 LEU MD1 . . 3.380 2.988 2.338 3.210 . 0 0 "[ . 1 . 2]" 1
482 1 36 LEU HB3 1 36 LEU MD2 . . 3.380 2.355 2.282 2.459 . 0 0 "[ . 1 . 2]" 1
483 1 36 LEU HB3 1 38 PHE QE . . 5.500 3.019 2.392 3.324 . 0 0 "[ . 1 . 2]" 1
484 1 36 LEU QD 1 37 GLU H . . 3.340 2.791 2.550 3.175 . 0 0 "[ . 1 . 2]" 1
485 1 36 LEU QD 1 37 GLU QB . . 5.280 4.290 3.866 4.659 . 0 0 "[ . 1 . 2]" 1
486 1 36 LEU QD 1 38 PHE HA . . 5.440 3.937 3.044 4.410 . 0 0 "[ . 1 . 2]" 1
487 1 36 LEU QD 1 39 PRO QD . . 5.280 4.487 3.842 4.907 . 0 0 "[ . 1 . 2]" 1
488 1 36 LEU QD 1 59 LEU QD . . 5.440 4.924 4.555 5.257 . 0 0 "[ . 1 . 2]" 1
489 1 36 LEU QD 1 74 VAL HB . . 4.150 3.396 3.145 3.575 . 0 0 "[ . 1 . 2]" 1
490 1 36 LEU QD 1 74 VAL MG1 . . 4.380 3.969 3.511 4.229 . 0 0 "[ . 1 . 2]" 1
491 1 36 LEU QD 1 74 VAL MG2 . . 3.640 3.454 3.054 3.643 0.003 2 0 "[ . 1 . 2]" 1
492 1 36 LEU MD1 1 38 PHE QD . . 5.500 4.463 3.710 4.854 . 0 0 "[ . 1 . 2]" 1
493 1 36 LEU MD1 1 38 PHE QE . . 5.500 3.869 2.218 4.545 . 0 0 "[ . 1 . 2]" 1
494 1 36 LEU MD1 1 38 PHE HZ . . 5.500 4.145 2.147 4.998 . 0 0 "[ . 1 . 2]" 1
495 1 36 LEU MD2 1 38 PHE QD . . 5.500 3.673 2.971 3.989 . 0 0 "[ . 1 . 2]" 1
496 1 36 LEU MD2 1 38 PHE QE . . 5.500 2.678 2.457 3.283 . 0 0 "[ . 1 . 2]" 1
497 1 36 LEU MD2 1 38 PHE HZ . . 5.500 2.626 2.279 3.864 . 0 0 "[ . 1 . 2]" 1
498 1 36 LEU HG 1 37 GLU H . . 4.680 3.868 3.581 4.467 . 0 0 "[ . 1 . 2]" 1
499 1 36 LEU HG 1 38 PHE QD . . 5.500 4.118 3.405 5.584 0.084 3 0 "[ . 1 . 2]" 1
500 1 36 LEU HG 1 38 PHE QE . . 5.500 3.711 2.891 4.791 . 0 0 "[ . 1 . 2]" 1
501 1 37 GLU H 1 37 GLU HB2 . . 3.790 2.582 2.388 3.093 . 0 0 "[ . 1 . 2]" 1
502 1 37 GLU H 1 37 GLU QB . . 3.040 2.524 2.356 2.917 . 0 0 "[ . 1 . 2]" 1
503 1 37 GLU H 1 37 GLU HB3 . . 3.790 3.620 3.572 3.659 . 0 0 "[ . 1 . 2]" 1
504 1 37 GLU H 1 37 GLU HG2 . . 4.150 3.590 2.463 3.900 . 0 0 "[ . 1 . 2]" 1
505 1 37 GLU H 1 37 GLU QG . . 3.420 2.410 2.188 2.817 . 0 0 "[ . 1 . 2]" 1
506 1 37 GLU H 1 37 GLU HG3 . . 4.150 2.500 2.212 3.501 . 0 0 "[ . 1 . 2]" 1
507 1 37 GLU H 1 38 PHE QD . . 5.380 5.328 5.053 5.429 0.049 6 0 "[ . 1 . 2]" 1
508 1 37 GLU H 1 73 THR HA . . 4.780 4.711 4.494 4.899 0.119 3 0 "[ . 1 . 2]" 1
509 1 37 GLU H 1 73 THR MG . . 5.110 3.785 3.359 4.285 . 0 0 "[ . 1 . 2]" 1
510 1 37 GLU HA 1 37 GLU QG . . 3.740 2.552 2.379 2.951 . 0 0 "[ . 1 . 2]" 1
511 1 37 GLU HA 1 38 PHE QD . . 5.500 3.887 3.491 4.133 . 0 0 "[ . 1 . 2]" 1
512 1 37 GLU HA 1 71 PHE QD . . 3.930 3.512 2.902 3.934 0.004 19 0 "[ . 1 . 2]" 1
513 1 37 GLU HA 1 71 PHE QE . . 5.500 4.016 2.957 4.717 . 0 0 "[ . 1 . 2]" 1
514 1 37 GLU HA 1 73 THR HB . . 5.500 4.784 4.303 5.341 . 0 0 "[ . 1 . 2]" 1
515 1 37 GLU HA 1 73 THR MG . . 3.400 2.765 2.430 3.144 . 0 0 "[ . 1 . 2]" 1
516 1 37 GLU QB 1 38 PHE H . . 4.000 3.518 3.404 3.681 . 0 0 "[ . 1 . 2]" 1
517 1 37 GLU QB 1 71 PHE QE . . 4.170 3.265 2.231 4.229 0.059 1 0 "[ . 1 . 2]" 1
518 1 37 GLU QG 1 71 PHE QD . . 4.670 4.285 3.211 4.724 0.054 5 0 "[ . 1 . 2]" 1
519 1 37 GLU QG 1 73 THR MG . . 3.170 2.304 1.960 2.773 . 0 0 "[ . 1 . 2]" 1
520 1 37 GLU HG2 1 71 PHE QE . . 5.500 3.422 2.260 4.940 . 0 0 "[ . 1 . 2]" 1
521 1 37 GLU HG2 1 73 THR MG . . 3.870 2.783 2.031 3.937 0.067 4 0 "[ . 1 . 2]" 1
522 1 37 GLU HG3 1 71 PHE QE . . 5.500 4.566 3.529 5.527 0.027 9 0 "[ . 1 . 2]" 1
523 1 37 GLU HG3 1 73 THR MG . . 3.870 2.776 1.976 4.009 0.139 1 0 "[ . 1 . 2]" 1
524 1 38 PHE H 1 38 PHE HB2 . . 3.160 2.335 2.296 2.371 . 0 0 "[ . 1 . 2]" 1
525 1 38 PHE H 1 38 PHE HB3 . . 3.640 3.581 3.559 3.601 . 0 0 "[ . 1 . 2]" 1
526 1 38 PHE H 1 38 PHE QD . . 3.260 2.451 2.215 2.684 . 0 0 "[ . 1 . 2]" 1
527 1 38 PHE H 1 39 PRO QD . . 4.760 4.390 4.360 4.412 . 0 0 "[ . 1 . 2]" 1
528 1 38 PHE H 1 71 PHE QD . . 4.040 3.506 2.874 3.968 . 0 0 "[ . 1 . 2]" 1
529 1 38 PHE H 1 72 ILE MG . . 4.160 3.279 3.085 3.537 . 0 0 "[ . 1 . 2]" 1
530 1 38 PHE H 1 73 THR H . . 5.500 4.958 4.808 5.164 . 0 0 "[ . 1 . 2]" 1
531 1 38 PHE HA 1 38 PHE QD . . 3.400 2.971 2.857 3.095 . 0 0 "[ . 1 . 2]" 1
532 1 38 PHE HA 1 39 PRO HD2 . . 3.270 2.863 2.578 2.995 . 0 0 "[ . 1 . 2]" 1
533 1 38 PHE HA 1 39 PRO QD . . 2.770 1.899 1.841 2.099 . 0 0 "[ . 1 . 2]" 1
534 1 38 PHE HA 1 39 PRO HD3 . . 3.270 1.931 1.866 2.223 . 0 0 "[ . 1 . 2]" 1
535 1 38 PHE HA 1 72 ILE MG . . 5.360 4.425 4.299 4.555 . 0 0 "[ . 1 . 2]" 1
536 1 38 PHE HB2 1 39 PRO QD . . 4.370 3.770 3.617 3.882 . 0 0 "[ . 1 . 2]" 1
537 1 38 PHE HB2 1 42 LEU MD1 . . 4.000 3.628 3.303 3.835 . 0 0 "[ . 1 . 2]" 1
538 1 38 PHE HB2 1 42 LEU MD2 . . 4.000 2.714 2.502 3.000 . 0 0 "[ . 1 . 2]" 1
539 1 38 PHE HB2 1 72 ILE MG . . 3.230 1.925 1.796 2.105 . 0 0 "[ . 1 . 2]" 1
540 1 38 PHE HB3 1 39 PRO HD2 . . 4.020 2.486 2.156 2.687 . 0 0 "[ . 1 . 2]" 1
541 1 38 PHE HB3 1 39 PRO QD . . 3.440 2.407 2.135 2.586 . 0 0 "[ . 1 . 2]" 1
542 1 38 PHE HB3 1 39 PRO HD3 . . 4.020 3.241 3.093 3.438 . 0 0 "[ . 1 . 2]" 1
543 1 38 PHE HB3 1 42 LEU MD1 . . 3.740 2.295 2.085 2.575 . 0 0 "[ . 1 . 2]" 1
544 1 38 PHE HB3 1 42 LEU MD2 . . 3.740 2.186 1.996 2.439 . 0 0 "[ . 1 . 2]" 1
545 1 38 PHE HB3 1 72 ILE MG . . 3.560 2.952 2.762 3.063 . 0 0 "[ . 1 . 2]" 1
546 1 38 PHE QD 1 39 PRO HD2 . . 5.500 2.846 2.518 3.064 . 0 0 "[ . 1 . 2]" 1
547 1 38 PHE QD 1 39 PRO HD3 . . 5.500 3.314 3.082 3.780 . 0 0 "[ . 1 . 2]" 1
548 1 38 PHE QD 1 42 LEU MD1 . . 5.500 2.706 2.165 3.070 . 0 0 "[ . 1 . 2]" 1
549 1 38 PHE QD 1 42 LEU MD2 . . 5.500 2.573 2.227 2.896 . 0 0 "[ . 1 . 2]" 1
550 1 38 PHE QD 1 50 VAL MG1 . . 5.500 3.366 3.150 3.645 . 0 0 "[ . 1 . 2]" 1
551 1 38 PHE QD 1 50 VAL MG2 . . 5.500 3.668 3.431 3.992 . 0 0 "[ . 1 . 2]" 1
552 1 38 PHE QD 1 72 ILE MD . . 5.500 4.062 3.837 4.261 . 0 0 "[ . 1 . 2]" 1
553 1 38 PHE QD 1 72 ILE MG . . 5.500 2.317 2.124 2.820 . 0 0 "[ . 1 . 2]" 1
554 1 38 PHE QD 1 73 THR H . . 5.500 4.895 4.563 5.139 . 0 0 "[ . 1 . 2]" 1
555 1 38 PHE QD 1 73 THR HA . . 3.660 3.364 2.875 3.688 0.028 3 0 "[ . 1 . 2]" 1
556 1 38 PHE QD 1 74 VAL H . . 4.320 3.364 2.927 3.684 . 0 0 "[ . 1 . 2]" 1
557 1 38 PHE QD 1 74 VAL MG1 . . 5.500 5.298 5.162 5.472 . 0 0 "[ . 1 . 2]" 1
558 1 38 PHE QD 1 74 VAL MG2 . . 5.500 2.759 2.577 3.019 . 0 0 "[ . 1 . 2]" 1
559 1 38 PHE QE 1 39 PRO HD2 . . 5.500 5.094 4.811 5.274 . 0 0 "[ . 1 . 2]" 1
560 1 38 PHE QE 1 39 PRO HD3 . . 5.500 5.219 5.050 5.510 0.010 13 0 "[ . 1 . 2]" 1
561 1 38 PHE QE 1 42 LEU MD1 . . 5.500 4.427 3.837 4.788 . 0 0 "[ . 1 . 2]" 1
562 1 38 PHE QE 1 42 LEU MD2 . . 5.500 3.663 3.266 4.029 . 0 0 "[ . 1 . 2]" 1
563 1 38 PHE QE 1 50 VAL MG1 . . 5.500 2.777 2.593 3.270 . 0 0 "[ . 1 . 2]" 1
564 1 38 PHE QE 1 50 VAL MG2 . . 5.500 3.408 3.171 3.884 . 0 0 "[ . 1 . 2]" 1
565 1 38 PHE QE 1 72 ILE MG . . 5.500 3.857 3.580 4.397 . 0 0 "[ . 1 . 2]" 1
566 1 38 PHE QE 1 73 THR HA . . 5.260 4.780 4.204 5.187 . 0 0 "[ . 1 . 2]" 1
567 1 38 PHE QE 1 74 VAL HB . . 3.840 2.931 2.661 3.293 . 0 0 "[ . 1 . 2]" 1
568 1 38 PHE QE 1 74 VAL MG2 . . 5.500 1.933 1.863 2.038 . 0 0 "[ . 1 . 2]" 1
569 1 38 PHE HZ 1 50 VAL MG1 . . 5.500 3.321 3.006 3.821 . 0 0 "[ . 1 . 2]" 1
570 1 38 PHE HZ 1 50 VAL MG2 . . 5.500 3.628 3.303 4.263 . 0 0 "[ . 1 . 2]" 1
571 1 38 PHE HZ 1 74 VAL MG2 . . 5.500 3.557 3.299 3.781 . 0 0 "[ . 1 . 2]" 1
572 1 39 PRO HA 1 40 PRO HD2 . . 3.180 2.394 2.151 3.034 . 0 0 "[ . 1 . 2]" 1
573 1 39 PRO HA 1 40 PRO HD3 . . 3.180 2.305 1.870 2.449 . 0 0 "[ . 1 . 2]" 1
574 1 39 PRO HA 1 41 SER H . . 4.700 3.826 3.721 3.899 . 0 0 "[ . 1 . 2]" 1
575 1 39 PRO HB2 1 40 PRO QD . . 3.610 3.127 2.476 3.375 . 0 0 "[ . 1 . 2]" 1
576 1 39 PRO HB2 1 41 SER H . . 2.980 2.352 2.111 2.638 . 0 0 "[ . 1 . 2]" 1
577 1 39 PRO HB2 1 42 LEU H . . 4.260 3.578 3.344 4.190 . 0 0 "[ . 1 . 2]" 1
578 1 39 PRO HB3 1 40 PRO QD . . 3.580 2.491 2.339 2.941 . 0 0 "[ . 1 . 2]" 1
579 1 39 PRO HB3 1 41 SER H . . 5.500 3.353 3.207 4.016 . 0 0 "[ . 1 . 2]" 1
580 1 39 PRO QD 1 42 LEU HB2 . . 5.350 4.646 4.418 4.935 . 0 0 "[ . 1 . 2]" 1
581 1 39 PRO QD 1 42 LEU QD . . 3.060 2.051 1.940 2.169 . 0 0 "[ . 1 . 2]" 1
582 1 39 PRO QD 1 72 ILE MG . . 4.840 4.615 4.339 4.712 . 0 0 "[ . 1 . 2]" 1
583 1 39 PRO HD2 1 42 LEU MD1 . . 5.290 2.081 1.964 2.207 . 0 0 "[ . 1 . 2]" 1
584 1 39 PRO HD2 1 42 LEU MD2 . . 5.290 3.601 3.417 3.816 . 0 0 "[ . 1 . 2]" 1
585 1 39 PRO HD2 1 72 ILE MG . . 5.500 4.953 4.525 5.094 . 0 0 "[ . 1 . 2]" 1
586 1 39 PRO HD3 1 42 LEU MD1 . . 5.290 3.498 3.337 3.673 . 0 0 "[ . 1 . 2]" 1
587 1 39 PRO HD3 1 42 LEU MD2 . . 5.290 4.678 4.503 4.893 . 0 0 "[ . 1 . 2]" 1
588 1 39 PRO HD3 1 72 ILE MG . . 5.500 5.519 5.443 5.570 0.070 5 0 "[ . 1 . 2]" 1
589 1 39 PRO QG 1 42 LEU QD . . 3.230 3.147 2.225 3.272 0.042 17 0 "[ . 1 . 2]" 1
590 1 40 PRO HA 1 71 PHE HB2 . . 4.520 3.801 3.266 4.502 . 0 0 "[ . 1 . 2]" 1
591 1 40 PRO HA 1 71 PHE QB . . 3.670 2.842 2.113 3.616 . 0 0 "[ . 1 . 2]" 1
592 1 40 PRO HA 1 71 PHE HB3 . . 4.520 2.943 2.138 3.834 . 0 0 "[ . 1 . 2]" 1
593 1 40 PRO HB2 1 41 SER H . . 3.710 3.715 3.343 3.813 0.103 19 0 "[ . 1 . 2]" 1
594 1 40 PRO HB3 1 71 PHE H . . 5.500 4.788 4.245 5.466 . 0 0 "[ . 1 . 2]" 1
595 1 40 PRO HB3 1 71 PHE QB . . 4.290 3.056 2.525 3.672 . 0 0 "[ . 1 . 2]" 1
596 1 40 PRO HB3 1 71 PHE QD . . 5.500 3.950 3.133 4.867 . 0 0 "[ . 1 . 2]" 1
597 1 40 PRO QD 1 41 SER H . . 4.200 2.815 2.349 2.978 . 0 0 "[ . 1 . 2]" 1
598 1 40 PRO QD 1 71 PHE QB . . 5.180 3.023 2.618 3.450 . 0 0 "[ . 1 . 2]" 1
599 1 40 PRO QG 1 41 SER H . . 3.660 3.182 2.881 3.913 0.253 12 0 "[ . 1 . 2]" 1
600 1 41 SER H 1 41 SER HB2 . . 3.530 2.848 2.436 3.545 0.015 16 0 "[ . 1 . 2]" 1
601 1 41 SER H 1 41 SER QB . . 2.930 2.482 2.236 2.758 . 0 0 "[ . 1 . 2]" 1
602 1 41 SER H 1 41 SER HB3 . . 3.530 2.970 2.504 3.563 0.033 4 0 "[ . 1 . 2]" 1
603 1 41 SER H 1 42 LEU QD . . 4.110 3.501 3.404 3.697 . 0 0 "[ . 1 . 2]" 1
604 1 41 SER QB 1 42 LEU H . . 4.010 3.185 2.879 3.719 . 0 0 "[ . 1 . 2]" 1
605 1 41 SER HB2 1 42 LEU H . . 4.620 3.678 2.947 4.193 . 0 0 "[ . 1 . 2]" 1
606 1 41 SER HB3 1 42 LEU H . . 4.620 3.814 2.971 4.388 . 0 0 "[ . 1 . 2]" 1
607 1 42 LEU H 1 42 LEU HB3 . . 3.580 3.532 3.515 3.549 . 0 0 "[ . 1 . 2]" 1
608 1 42 LEU H 1 42 LEU MD1 . . 4.320 2.177 2.080 2.276 . 0 0 "[ . 1 . 2]" 1
609 1 42 LEU H 1 42 LEU QD . . 3.010 2.166 2.072 2.263 . 0 0 "[ . 1 . 2]" 1
610 1 42 LEU H 1 42 LEU MD2 . . 4.320 3.930 3.833 3.995 . 0 0 "[ . 1 . 2]" 1
611 1 42 LEU H 1 42 LEU HG . . 4.050 3.828 3.744 3.903 . 0 0 "[ . 1 . 2]" 1
612 1 42 LEU H 1 43 ASN H . . 4.490 4.457 4.358 4.532 0.042 1 0 "[ . 1 . 2]" 1
613 1 42 LEU H 1 46 ASP HB2 . . 5.360 5.016 4.808 5.364 0.004 16 0 "[ . 1 . 2]" 1
614 1 42 LEU HA 1 42 LEU MD1 . . 3.860 2.663 2.531 2.773 . 0 0 "[ . 1 . 2]" 1
615 1 42 LEU HA 1 42 LEU QD . . 3.090 2.609 2.496 2.701 . 0 0 "[ . 1 . 2]" 1
616 1 42 LEU HA 1 42 LEU MD2 . . 3.860 3.752 3.724 3.792 . 0 0 "[ . 1 . 2]" 1
617 1 42 LEU HA 1 42 LEU HG . . 3.980 2.445 2.399 2.499 . 0 0 "[ . 1 . 2]" 1
618 1 42 LEU HA 1 43 ASN H . . 2.870 2.172 2.146 2.197 . 0 0 "[ . 1 . 2]" 1
619 1 42 LEU HA 1 46 ASP HB2 . . 3.770 2.586 2.410 2.827 . 0 0 "[ . 1 . 2]" 1
620 1 42 LEU HA 1 46 ASP HB3 . . 4.360 3.040 2.809 3.356 . 0 0 "[ . 1 . 2]" 1
621 1 42 LEU HA 1 47 ARG H . . 4.990 4.684 4.428 5.006 0.016 2 0 "[ . 1 . 2]" 1
622 1 42 LEU HB3 1 42 LEU MD1 . . 3.430 3.204 3.194 3.211 . 0 0 "[ . 1 . 2]" 1
623 1 42 LEU HB3 1 42 LEU QD . . 2.940 2.223 2.196 2.268 . 0 0 "[ . 1 . 2]" 1
624 1 42 LEU HB3 1 42 LEU MD2 . . 3.430 2.268 2.237 2.318 . 0 0 "[ . 1 . 2]" 1
625 1 42 LEU HB3 1 43 ASN H . . 3.920 3.580 3.353 3.746 . 0 0 "[ . 1 . 2]" 1
626 1 42 LEU HB3 1 47 ARG H . . 3.860 3.133 2.830 3.348 . 0 0 "[ . 1 . 2]" 1
627 1 42 LEU QD 1 43 ASN H . . 4.480 4.224 4.156 4.290 . 0 0 "[ . 1 . 2]" 1
628 1 42 LEU QD 1 46 ASP HA . . 4.870 4.332 4.166 4.498 . 0 0 "[ . 1 . 2]" 1
629 1 42 LEU QD 1 46 ASP HB2 . . 3.770 3.374 3.112 3.646 . 0 0 "[ . 1 . 2]" 1
630 1 42 LEU QD 1 46 ASP HB3 . . 3.470 2.807 2.629 3.048 . 0 0 "[ . 1 . 2]" 1
631 1 42 LEU QD 1 47 ARG H . . 4.390 3.775 3.548 4.126 . 0 0 "[ . 1 . 2]" 1
632 1 42 LEU QD 1 47 ARG HA . . 4.170 2.736 2.454 3.207 . 0 0 "[ . 1 . 2]" 1
633 1 42 LEU QD 1 47 ARG QD . . 4.400 4.110 2.806 4.538 0.138 15 0 "[ . 1 . 2]" 1
634 1 42 LEU QD 1 47 ARG HG2 . . 5.360 3.168 2.763 4.295 . 0 0 "[ . 1 . 2]" 1
635 1 42 LEU QD 1 50 VAL H . . 5.440 4.291 4.038 4.543 . 0 0 "[ . 1 . 2]" 1
636 1 42 LEU QD 1 50 VAL MG1 . . 4.560 3.610 3.435 3.816 . 0 0 "[ . 1 . 2]" 1
637 1 42 LEU QD 1 50 VAL MG2 . . 3.040 2.168 2.037 2.365 . 0 0 "[ . 1 . 2]" 1
638 1 42 LEU QD 1 72 ILE MG . . 3.140 2.116 1.966 2.383 . 0 0 "[ . 1 . 2]" 1
639 1 42 LEU MD1 1 43 ASN H . . 5.270 4.556 4.456 4.649 . 0 0 "[ . 1 . 2]" 1
640 1 42 LEU MD1 1 46 ASP HB2 . . 4.600 4.300 4.031 4.540 . 0 0 "[ . 1 . 2]" 1
641 1 42 LEU MD1 1 50 VAL MG2 . . 4.510 4.193 3.968 4.403 . 0 0 "[ . 1 . 2]" 1
642 1 42 LEU MD2 1 43 ASN H . . 5.270 5.001 4.812 5.094 . 0 0 "[ . 1 . 2]" 1
643 1 42 LEU MD2 1 46 ASP HB2 . . 4.600 3.531 3.209 3.840 . 0 0 "[ . 1 . 2]" 1
644 1 42 LEU MD2 1 50 VAL MG2 . . 4.510 2.175 2.041 2.374 . 0 0 "[ . 1 . 2]" 1
645 1 42 LEU HG 1 43 ASN H . . 4.290 4.212 4.067 4.308 0.018 9 0 "[ . 1 . 2]" 1
646 1 42 LEU HG 1 46 ASP HB2 . . 4.690 3.017 2.648 3.293 . 0 0 "[ . 1 . 2]" 1
647 1 42 LEU HG 1 46 ASP HB3 . . 4.080 2.113 1.920 2.452 . 0 0 "[ . 1 . 2]" 1
648 1 42 LEU HG 1 50 VAL MG2 . . 4.760 4.006 3.822 4.209 . 0 0 "[ . 1 . 2]" 1
649 1 43 ASN H 1 43 ASN HB2 . . 4.000 3.639 3.592 3.709 . 0 0 "[ . 1 . 2]" 1
650 1 43 ASN H 1 43 ASN QB . . 3.380 2.589 2.333 2.922 . 0 0 "[ . 1 . 2]" 1
651 1 43 ASN H 1 43 ASN HB3 . . 4.000 2.661 2.363 3.094 . 0 0 "[ . 1 . 2]" 1
652 1 43 ASN H 1 43 ASN HD21 . . 4.570 3.041 2.269 4.712 0.142 4 0 "[ . 1 . 2]" 1
653 1 43 ASN H 1 43 ASN HD22 . . 5.000 3.825 3.374 4.860 . 0 0 "[ . 1 . 2]" 1
654 1 43 ASN H 1 44 SER H . . 5.500 4.493 4.389 4.592 . 0 0 "[ . 1 . 2]" 1
655 1 43 ASN H 1 46 ASP H . . 3.900 3.447 3.215 3.728 . 0 0 "[ . 1 . 2]" 1
656 1 43 ASN H 1 46 ASP HA . . 5.210 4.972 4.671 5.249 0.039 16 0 "[ . 1 . 2]" 1
657 1 43 ASN H 1 46 ASP HB2 . . 3.760 2.364 2.099 2.674 . 0 0 "[ . 1 . 2]" 1
658 1 43 ASN H 1 46 ASP HB3 . . 4.120 3.709 3.454 3.999 . 0 0 "[ . 1 . 2]" 1
659 1 43 ASN H 1 47 ARG H . . 4.460 4.175 3.929 4.403 . 0 0 "[ . 1 . 2]" 1
660 1 43 ASN HA 1 43 ASN HD21 . . 4.480 4.157 3.595 4.502 0.022 18 0 "[ . 1 . 2]" 1
661 1 43 ASN QB 1 43 ASN HD21 . . 3.020 2.249 2.130 2.745 . 0 0 "[ . 1 . 2]" 1
662 1 43 ASN QB 1 43 ASN HD22 . . 3.410 3.298 3.207 3.462 0.052 17 0 "[ . 1 . 2]" 1
663 1 43 ASN QB 1 45 HIS H . . 4.810 3.599 3.350 3.910 . 0 0 "[ . 1 . 2]" 1
664 1 43 ASN QB 1 46 ASP H . . 4.880 4.096 3.893 4.456 . 0 0 "[ . 1 . 2]" 1
665 1 43 ASN HB2 1 43 ASN HD21 . . 3.530 2.983 2.152 3.504 . 0 0 "[ . 1 . 2]" 1
666 1 43 ASN HB3 1 43 ASN HD21 . . 3.530 2.745 2.186 3.535 0.005 17 0 "[ . 1 . 2]" 1
667 1 43 ASN HD21 1 45 HIS QB . . 4.660 3.495 2.401 4.728 0.068 19 0 "[ . 1 . 2]" 1
668 1 43 ASN HD22 1 45 HIS QB . . 4.340 2.387 1.786 3.341 . 0 0 "[ . 1 . 2]" 1
669 1 43 ASN HD22 1 46 ASP H . . 4.850 2.964 2.191 4.019 . 0 0 "[ . 1 . 2]" 1
670 1 44 SER H 1 45 HIS H . . 5.500 2.888 2.745 3.142 . 0 0 "[ . 1 . 2]" 1
671 1 44 SER HA 1 46 ASP H . . 5.160 4.538 4.276 4.712 . 0 0 "[ . 1 . 2]" 1
672 1 44 SER HA 1 47 ARG H . . 4.020 3.749 3.509 4.039 0.019 17 0 "[ . 1 . 2]" 1
673 1 44 SER HA 1 47 ARG HG3 . . 4.970 3.533 2.658 4.172 . 0 0 "[ . 1 . 2]" 1
674 1 44 SER HA 1 48 LEU H . . 4.590 3.963 3.732 4.142 . 0 0 "[ . 1 . 2]" 1
675 1 44 SER HA 2 1 DGP H4' . . 4.130 3.895 3.536 4.130 . 17 0 "[ . 1 . 2]" 1
676 1 44 SER QB 1 45 HIS H . . 3.960 2.601 2.302 3.297 . 0 0 "[ . 1 . 2]" 1
677 1 44 SER QB 1 45 HIS QB . . 5.270 4.203 3.615 5.008 . 0 0 "[ . 1 . 2]" 1
678 1 44 SER HB2 1 45 HIS H . . 4.690 2.963 2.327 3.970 . 0 0 "[ . 1 . 2]" 1
679 1 44 SER HB3 1 45 HIS H . . 4.690 3.468 2.469 3.986 . 0 0 "[ . 1 . 2]" 1
680 1 45 HIS H 1 45 HIS QB . . 3.130 2.330 2.230 2.498 . 0 0 "[ . 1 . 2]" 1
681 1 45 HIS H 1 45 HIS HD2 . . 5.500 4.644 3.401 5.211 . 0 0 "[ . 1 . 2]" 1
682 1 45 HIS H 1 46 ASP H . . 3.090 2.629 2.449 2.834 . 0 0 "[ . 1 . 2]" 1
683 1 45 HIS H 1 47 ARG H . . 4.830 4.240 3.982 4.598 . 0 0 "[ . 1 . 2]" 1
684 1 45 HIS HA 1 45 HIS QB . . 2.750 2.377 2.308 2.438 . 0 0 "[ . 1 . 2]" 1
685 1 45 HIS HA 1 45 HIS HD2 . . 4.330 2.885 2.287 3.413 . 0 0 "[ . 1 . 2]" 1
686 1 45 HIS HA 1 48 LEU H . . 4.010 3.492 3.191 3.844 . 0 0 "[ . 1 . 2]" 1
687 1 45 HIS HA 1 48 LEU HB2 . . 4.340 3.302 2.869 3.932 . 0 0 "[ . 1 . 2]" 1
688 1 45 HIS HA 1 48 LEU HB3 . . 3.350 2.510 2.247 2.836 . 0 0 "[ . 1 . 2]" 1
689 1 45 HIS HA 1 48 LEU QD . . 3.700 3.135 2.808 3.644 . 0 0 "[ . 1 . 2]" 1
690 1 45 HIS HA 1 48 LEU HG . . 4.800 4.652 4.035 4.839 0.039 11 0 "[ . 1 . 2]" 1
691 1 45 HIS HA 1 49 ARG H . . 4.260 4.061 3.818 4.311 0.051 9 0 "[ . 1 . 2]" 1
692 1 45 HIS QB 1 45 HIS HD2 . . 3.660 2.912 2.702 3.266 . 0 0 "[ . 1 . 2]" 1
693 1 45 HIS QB 1 46 ASP H . . 3.080 2.623 2.447 2.854 . 0 0 "[ . 1 . 2]" 1
694 1 45 HIS QB 1 48 LEU QD . . 5.210 4.254 3.861 4.880 . 0 0 "[ . 1 . 2]" 1
695 1 45 HIS HD2 1 48 LEU QD . . 3.780 3.266 2.432 3.830 0.050 2 0 "[ . 1 . 2]" 1
696 1 46 ASP H 1 46 ASP HB2 . . 3.120 2.497 2.361 2.616 . 0 0 "[ . 1 . 2]" 1
697 1 46 ASP H 1 46 ASP HB3 . . 3.780 3.611 3.567 3.632 . 0 0 "[ . 1 . 2]" 1
698 1 46 ASP H 1 47 ARG H . . 3.120 2.690 2.488 2.906 . 0 0 "[ . 1 . 2]" 1
699 1 46 ASP H 1 48 LEU H . . 4.820 4.102 3.962 4.353 . 0 0 "[ . 1 . 2]" 1
700 1 46 ASP HA 1 47 ARG HA . . 5.340 4.797 4.742 4.886 . 0 0 "[ . 1 . 2]" 1
701 1 46 ASP HA 1 49 ARG H . . 4.510 3.560 3.379 3.738 . 0 0 "[ . 1 . 2]" 1
702 1 46 ASP HA 1 49 ARG QB . . 4.390 2.880 2.509 3.257 . 0 0 "[ . 1 . 2]" 1
703 1 46 ASP HA 1 49 ARG QD . . 5.500 5.001 4.144 5.525 0.025 12 0 "[ . 1 . 2]" 1
704 1 46 ASP HA 1 50 VAL H . . 4.800 4.399 4.173 4.583 . 0 0 "[ . 1 . 2]" 1
705 1 46 ASP HB2 1 47 ARG H . . 3.330 2.445 2.296 2.625 . 0 0 "[ . 1 . 2]" 1
706 1 46 ASP HB3 1 47 ARG H . . 3.810 3.465 3.325 3.675 . 0 0 "[ . 1 . 2]" 1
707 1 47 ARG H 1 47 ARG HB2 . . 2.980 2.567 2.468 2.697 . 0 0 "[ . 1 . 2]" 1
708 1 47 ARG H 1 47 ARG HG2 . . 3.730 3.074 1.919 3.420 . 0 0 "[ . 1 . 2]" 1
709 1 47 ARG H 1 47 ARG HG3 . . 3.710 2.359 1.996 3.464 . 0 0 "[ . 1 . 2]" 1
710 1 47 ARG H 1 48 LEU H . . 3.370 2.727 2.628 2.891 . 0 0 "[ . 1 . 2]" 1
711 1 47 ARG H 1 49 ARG H . . 4.840 4.202 4.034 4.345 . 0 0 "[ . 1 . 2]" 1
712 1 47 ARG H 1 72 ILE MD . . 5.300 5.330 5.232 5.391 0.091 6 0 "[ . 1 . 2]" 1
713 1 47 ARG H 2 1 DGP H5' . . 4.790 4.080 3.733 4.824 0.034 11 0 "[ . 1 . 2]" 1
714 1 47 ARG HA 1 47 ARG HG2 . . 3.580 2.641 2.459 3.193 . 0 0 "[ . 1 . 2]" 1
715 1 47 ARG HA 1 47 ARG HG3 . . 3.720 3.263 3.049 3.842 0.122 11 0 "[ . 1 . 2]" 1
716 1 47 ARG HA 1 49 ARG H . . 4.630 4.392 4.265 4.627 . 0 0 "[ . 1 . 2]" 1
717 1 47 ARG HA 1 50 VAL H . . 3.760 3.409 3.199 3.776 0.016 2 0 "[ . 1 . 2]" 1
718 1 47 ARG HA 1 50 VAL HB . . 3.820 2.849 2.601 3.229 . 0 0 "[ . 1 . 2]" 1
719 1 47 ARG HA 1 50 VAL MG1 . . 4.480 4.193 3.977 4.542 0.062 11 0 "[ . 1 . 2]" 1
720 1 47 ARG HA 1 50 VAL MG2 . . 3.860 2.896 2.626 3.321 . 0 0 "[ . 1 . 2]" 1
721 1 47 ARG HA 1 51 HIS H . . 4.420 4.014 3.853 4.222 . 0 0 "[ . 1 . 2]" 1
722 1 47 ARG HA 1 51 HIS HD2 . . 5.190 3.903 3.723 4.126 . 0 0 "[ . 1 . 2]" 1
723 1 47 ARG HA 1 72 ILE HB . . 4.690 4.238 3.823 4.664 . 0 0 "[ . 1 . 2]" 1
724 1 47 ARG HA 1 72 ILE MD . . 3.910 3.072 2.923 3.137 . 0 0 "[ . 1 . 2]" 1
725 1 47 ARG HA 1 72 ILE MG . . 3.660 2.948 2.741 3.168 . 0 0 "[ . 1 . 2]" 1
726 1 47 ARG HA 2 1 DGP H5' . . 4.560 4.207 3.893 4.625 0.065 20 0 "[ . 1 . 2]" 1
727 1 47 ARG HB2 1 48 LEU H . . 3.540 2.436 2.036 2.664 . 0 0 "[ . 1 . 2]" 1
728 1 47 ARG HB2 1 49 ARG H . . 5.500 4.987 4.629 5.208 . 0 0 "[ . 1 . 2]" 1
729 1 47 ARG HB2 1 51 HIS HD2 . . 4.730 3.392 3.218 3.616 . 0 0 "[ . 1 . 2]" 1
730 1 47 ARG HB2 2 1 DGP H5' . . 2.710 1.905 1.743 2.322 . 0 0 "[ . 1 . 2]" 1
731 1 47 ARG HB3 2 1 DGP H5' . . 3.440 2.311 1.936 2.914 . 0 0 "[ . 1 . 2]" 1
732 1 47 ARG QD 1 72 ILE H . . 5.250 4.620 3.756 5.236 . 0 0 "[ . 1 . 2]" 1
733 1 47 ARG QD 1 72 ILE MD . . 4.670 3.853 2.952 4.203 . 0 0 "[ . 1 . 2]" 1
734 1 47 ARG QD 1 72 ILE MG . . 4.510 3.533 2.311 4.149 . 0 0 "[ . 1 . 2]" 1
735 1 47 ARG QD 2 1 DGP H5' . . 4.020 3.036 2.453 4.010 . 0 0 "[ . 1 . 2]" 1
736 1 47 ARG HE 1 70 ARG HE . . 5.500 5.298 4.261 5.613 0.113 16 0 "[ . 1 . 2]" 1
737 1 47 ARG HG2 2 1 DGP H5' . . 4.620 4.201 3.873 4.607 . 0 0 "[ . 1 . 2]" 1
738 1 47 ARG HG3 1 48 LEU H . . 4.330 4.197 3.989 4.400 0.070 14 0 "[ . 1 . 2]" 1
739 1 47 ARG HG3 1 51 HIS HD2 . . 5.500 5.434 4.967 5.569 0.069 12 0 "[ . 1 . 2]" 1
740 1 47 ARG HG3 1 72 ILE MD . . 5.390 5.009 4.835 5.235 . 0 0 "[ . 1 . 2]" 1
741 1 47 ARG HG3 2 1 DGP H5' . . 3.810 3.722 2.947 3.955 0.145 9 0 "[ . 1 . 2]" 1
742 1 48 LEU H 1 48 LEU HB2 . . 3.070 2.483 2.404 2.571 . 0 0 "[ . 1 . 2]" 1
743 1 48 LEU H 1 48 LEU HB3 . . 3.010 2.497 2.411 2.575 . 0 0 "[ . 1 . 2]" 1
744 1 48 LEU H 1 48 LEU MD1 . . 4.370 4.088 4.024 4.173 . 0 0 "[ . 1 . 2]" 1
745 1 48 LEU H 1 48 LEU MD2 . . 4.370 4.206 4.028 4.249 . 0 0 "[ . 1 . 2]" 1
746 1 48 LEU H 1 48 LEU HG . . 4.730 4.479 4.420 4.525 . 0 0 "[ . 1 . 2]" 1
747 1 48 LEU H 1 49 ARG H . . 3.400 2.813 2.758 2.888 . 0 0 "[ . 1 . 2]" 1
748 1 48 LEU H 1 50 VAL H . . 4.720 4.304 4.206 4.400 . 0 0 "[ . 1 . 2]" 1
749 1 48 LEU H 1 51 HIS HD2 . . 4.150 3.482 3.390 3.618 . 0 0 "[ . 1 . 2]" 1
750 1 48 LEU H 2 1 DGP H1' . . 5.500 5.291 4.984 5.517 0.017 8 0 "[ . 1 . 2]" 1
751 1 48 LEU H 2 1 DGP H4' . . 3.290 2.739 2.437 3.307 0.017 17 0 "[ . 1 . 2]" 1
752 1 48 LEU H 2 1 DGP H5' . . 3.610 3.047 2.600 3.571 . 0 0 "[ . 1 . 2]" 1
753 1 48 LEU HA 1 48 LEU QD . . 3.490 2.109 2.026 2.183 . 0 0 "[ . 1 . 2]" 1
754 1 48 LEU HA 1 48 LEU HG . . 3.900 3.234 3.095 3.717 . 0 0 "[ . 1 . 2]" 1
755 1 48 LEU HA 1 51 HIS H . . 3.760 3.463 3.348 3.582 . 0 0 "[ . 1 . 2]" 1
756 1 48 LEU HA 1 51 HIS HA . . 5.500 5.329 5.125 5.460 . 0 0 "[ . 1 . 2]" 1
757 1 48 LEU HA 1 51 HIS HB2 . . 3.700 2.574 2.301 2.716 . 0 0 "[ . 1 . 2]" 1
758 1 48 LEU HA 1 51 HIS HD2 . . 2.860 2.317 2.086 2.385 . 0 0 "[ . 1 . 2]" 1
759 1 48 LEU HA 2 1 DGP H1' . . 3.740 3.134 2.857 3.333 . 0 0 "[ . 1 . 2]" 1
760 1 48 LEU HA 2 1 DGP H5' . . 4.000 3.557 3.048 3.796 . 0 0 "[ . 1 . 2]" 1
761 1 48 LEU HB2 1 48 LEU MD1 . . 3.590 2.472 2.304 3.172 . 0 0 "[ . 1 . 2]" 1
762 1 48 LEU HB2 1 48 LEU QD . . 2.970 2.169 2.105 2.468 . 0 0 "[ . 1 . 2]" 1
763 1 48 LEU HB2 1 48 LEU MD2 . . 3.590 2.432 2.375 2.580 . 0 0 "[ . 1 . 2]" 1
764 1 48 LEU HB2 1 49 ARG H . . 4.470 3.865 3.794 3.950 . 0 0 "[ . 1 . 2]" 1
765 1 48 LEU HB2 1 51 HIS HD2 . . 4.150 4.174 3.926 4.249 0.099 8 0 "[ . 1 . 2]" 1
766 1 48 LEU HB2 2 1 DGP H1' . . 4.030 3.705 3.424 3.930 . 0 0 "[ . 1 . 2]" 1
767 1 48 LEU HB2 2 1 DGP H4' . . 3.130 1.869 1.741 2.158 . 0 0 "[ . 1 . 2]" 1
768 1 48 LEU HB2 2 1 DGP H5' . . 4.900 3.581 3.024 4.117 . 0 0 "[ . 1 . 2]" 1
769 1 48 LEU HB3 1 48 LEU QD . . 2.900 2.240 2.180 2.273 . 0 0 "[ . 1 . 2]" 1
770 1 48 LEU HB3 1 49 ARG H . . 3.280 2.548 2.465 2.663 . 0 0 "[ . 1 . 2]" 1
771 1 48 LEU HB3 1 51 HIS HD2 . . 5.040 4.965 4.751 5.042 0.002 8 0 "[ . 1 . 2]" 1
772 1 48 LEU HB3 2 1 DGP H1' . . 5.250 5.095 4.840 5.266 0.016 8 0 "[ . 1 . 2]" 1
773 1 48 LEU HB3 2 1 DGP H4' . . 3.640 3.448 3.265 3.670 0.030 12 0 "[ . 1 . 2]" 1
774 1 48 LEU QD 1 49 ARG H . . 4.080 3.700 2.840 3.907 . 0 0 "[ . 1 . 2]" 1
775 1 48 LEU QD 1 49 ARG HA . . 5.440 3.993 2.546 4.393 . 0 0 "[ . 1 . 2]" 1
776 1 48 LEU QD 1 49 ARG QD . . 5.300 4.293 2.535 5.343 0.043 1 0 "[ . 1 . 2]" 1
777 1 48 LEU QD 1 51 HIS H . . 5.200 4.477 4.022 4.723 . 0 0 "[ . 1 . 2]" 1
778 1 48 LEU QD 1 51 HIS HD2 . . 3.790 3.743 3.468 3.855 0.065 12 0 "[ . 1 . 2]" 1
779 1 48 LEU QD 1 52 GLN H . . 4.660 3.607 2.973 3.917 . 0 0 "[ . 1 . 2]" 1
780 1 48 LEU QD 1 52 GLN HA . . 5.090 4.630 4.142 5.041 . 0 0 "[ . 1 . 2]" 1
781 1 48 LEU QD 1 52 GLN HE21 . . 3.580 2.160 1.786 2.732 . 0 0 "[ . 1 . 2]" 1
782 1 48 LEU QD 1 52 GLN HE22 . . 3.560 2.689 2.150 3.007 . 0 0 "[ . 1 . 2]" 1
783 1 48 LEU QD 1 52 GLN HG2 . . 4.790 3.520 2.909 3.885 . 0 0 "[ . 1 . 2]" 1
784 1 48 LEU QD 1 52 GLN HG3 . . 4.270 2.574 1.985 2.856 . 0 0 "[ . 1 . 2]" 1
785 1 48 LEU QD 2 1 DGP H1' . . 2.420 1.835 1.747 1.960 . 0 0 "[ . 1 . 2]" 1
786 1 48 LEU QD 2 1 DGP H2' . . 4.890 3.969 3.674 4.234 . 0 0 "[ . 1 . 2]" 1
787 1 48 LEU QD 2 1 DGP H2'' . . 4.930 2.986 2.450 3.368 . 0 0 "[ . 1 . 2]" 1
788 1 48 LEU QD 2 1 DGP H3' . . 5.440 3.937 3.688 4.377 . 0 0 "[ . 1 . 2]" 1
789 1 48 LEU QD 2 1 DGP H4' . . 3.760 2.841 2.496 3.293 . 0 0 "[ . 1 . 2]" 1
790 1 48 LEU QD 2 1 DGP H5' . . 5.440 3.998 3.791 4.167 . 0 0 "[ . 1 . 2]" 1
791 1 48 LEU MD1 1 49 ARG H . . 4.680 4.240 2.898 4.506 . 0 0 "[ . 1 . 2]" 1
792 1 48 LEU MD1 1 52 GLN HE21 . . 4.130 2.326 1.807 2.873 . 0 0 "[ . 1 . 2]" 1
793 1 48 LEU MD1 1 52 GLN HE22 . . 4.050 3.250 2.209 3.895 . 0 0 "[ . 1 . 2]" 1
794 1 48 LEU MD1 1 52 GLN HG3 . . 5.070 2.704 2.415 3.196 . 0 0 "[ . 1 . 2]" 1
795 1 48 LEU MD1 2 1 DGP H4' . . 4.800 3.184 2.556 4.670 . 0 0 "[ . 1 . 2]" 1
796 1 48 LEU MD2 1 49 ARG H . . 4.680 4.184 4.070 4.320 . 0 0 "[ . 1 . 2]" 1
797 1 48 LEU MD2 1 52 GLN HE21 . . 4.130 2.811 1.844 3.733 . 0 0 "[ . 1 . 2]" 1
798 1 48 LEU MD2 1 52 GLN HE22 . . 4.050 2.972 2.688 3.323 . 0 0 "[ . 1 . 2]" 1
799 1 48 LEU MD2 1 52 GLN HG3 . . 5.070 3.949 2.040 4.573 . 0 0 "[ . 1 . 2]" 1
800 1 48 LEU MD2 2 1 DGP H4' . . 4.800 3.615 2.622 4.073 . 0 0 "[ . 1 . 2]" 1
801 1 48 LEU HG 1 49 ARG H . . 4.740 3.850 3.547 4.761 0.021 17 0 "[ . 1 . 2]" 1
802 1 48 LEU HG 1 49 ARG HA . . 5.500 3.990 3.504 5.585 0.085 7 0 "[ . 1 . 2]" 1
803 1 48 LEU HG 1 51 HIS HD2 . . 5.500 5.510 5.406 5.650 0.150 17 0 "[ . 1 . 2]" 1
804 1 48 LEU HG 1 52 GLN HE21 . . 4.830 2.837 1.852 4.502 . 0 0 "[ . 1 . 2]" 1
805 1 48 LEU HG 1 52 GLN HE22 . . 4.550 3.319 2.625 4.563 0.013 2 0 "[ . 1 . 2]" 1
806 1 48 LEU HG 2 1 DGP H1' . . 4.710 4.405 4.111 4.630 . 0 0 "[ . 1 . 2]" 1
807 1 48 LEU HG 2 1 DGP H4' . . 5.100 4.486 3.389 4.982 . 0 0 "[ . 1 . 2]" 1
808 1 49 ARG H 1 49 ARG HB2 . . 3.850 2.374 2.098 2.531 . 0 0 "[ . 1 . 2]" 1
809 1 49 ARG H 1 49 ARG QB . . 3.030 2.286 2.078 2.485 . 0 0 "[ . 1 . 2]" 1
810 1 49 ARG H 1 49 ARG HB3 . . 3.850 3.165 2.570 3.620 . 0 0 "[ . 1 . 2]" 1
811 1 49 ARG H 1 49 ARG HG2 . . 4.680 3.476 2.196 4.607 . 0 0 "[ . 1 . 2]" 1
812 1 49 ARG H 1 49 ARG QG . . 4.040 3.193 2.179 4.057 0.017 10 0 "[ . 1 . 2]" 1
813 1 49 ARG H 1 49 ARG HG3 . . 4.680 4.063 3.498 4.527 . 0 0 "[ . 1 . 2]" 1
814 1 49 ARG H 1 50 VAL H . . 3.260 2.759 2.593 2.906 . 0 0 "[ . 1 . 2]" 1
815 1 49 ARG H 1 50 VAL MG2 . . 4.590 4.169 4.010 4.322 . 0 0 "[ . 1 . 2]" 1
816 1 49 ARG H 1 51 HIS H . . 4.410 4.249 4.174 4.338 . 0 0 "[ . 1 . 2]" 1
817 1 49 ARG HA 1 49 ARG QD . . 3.090 2.270 1.928 3.156 0.066 5 0 "[ . 1 . 2]" 1
818 1 49 ARG HA 1 49 ARG HG2 . . 3.780 3.292 2.653 3.799 0.019 4 0 "[ . 1 . 2]" 1
819 1 49 ARG HA 1 49 ARG QG . . 3.290 2.768 2.393 2.950 . 0 0 "[ . 1 . 2]" 1
820 1 49 ARG HA 1 49 ARG HG3 . . 3.780 3.288 2.432 3.776 . 0 0 "[ . 1 . 2]" 1
821 1 49 ARG HA 1 52 GLN HB2 . . 4.110 2.923 2.593 3.271 . 0 0 "[ . 1 . 2]" 1
822 1 49 ARG HA 1 52 GLN HB3 . . 4.950 4.511 4.095 4.896 . 0 0 "[ . 1 . 2]" 1
823 1 49 ARG HA 1 53 ILE MD . . 5.200 4.032 3.825 4.343 . 0 0 "[ . 1 . 2]" 1
824 1 49 ARG QB 1 49 ARG QD . . 3.420 2.387 2.135 2.829 . 0 0 "[ . 1 . 2]" 1
825 1 49 ARG QB 1 50 VAL H . . 3.210 2.428 2.257 2.657 . 0 0 "[ . 1 . 2]" 1
826 1 49 ARG QB 1 50 VAL MG2 . . 4.680 3.076 2.911 3.301 . 0 0 "[ . 1 . 2]" 1
827 1 49 ARG HB2 1 50 VAL H . . 3.720 3.046 2.357 3.731 0.011 18 0 "[ . 1 . 2]" 1
828 1 49 ARG HB2 1 50 VAL MG2 . . 5.460 3.849 3.090 4.633 . 0 0 "[ . 1 . 2]" 1
829 1 49 ARG HB3 1 50 VAL H . . 3.720 2.927 2.279 3.579 . 0 0 "[ . 1 . 2]" 1
830 1 49 ARG HB3 1 50 VAL MG2 . . 5.460 3.560 2.949 4.255 . 0 0 "[ . 1 . 2]" 1
831 1 49 ARG QD 1 53 ILE MD . . 5.500 3.622 2.750 5.055 . 0 0 "[ . 1 . 2]" 1
832 1 49 ARG QG 1 50 VAL H . . 4.550 3.942 3.486 4.453 . 0 0 "[ . 1 . 2]" 1
833 1 50 VAL H 1 50 VAL HB . . 3.020 2.564 2.518 2.610 . 0 0 "[ . 1 . 2]" 1
834 1 50 VAL H 1 50 VAL MG1 . . 3.890 3.770 3.757 3.780 . 0 0 "[ . 1 . 2]" 1
835 1 50 VAL H 1 50 VAL MG2 . . 2.960 2.048 1.960 2.130 . 0 0 "[ . 1 . 2]" 1
836 1 50 VAL H 1 51 HIS H . . 3.180 2.767 2.682 2.837 . 0 0 "[ . 1 . 2]" 1
837 1 50 VAL H 1 52 GLN H . . 5.090 4.368 4.208 4.551 . 0 0 "[ . 1 . 2]" 1
838 1 50 VAL H 1 53 ILE H . . 5.070 4.800 4.645 4.925 . 0 0 "[ . 1 . 2]" 1
839 1 50 VAL H 1 53 ILE MD . . 5.040 4.299 3.951 4.577 . 0 0 "[ . 1 . 2]" 1
840 1 50 VAL H 1 72 ILE MD . . 4.390 4.240 4.100 4.378 . 0 0 "[ . 1 . 2]" 1
841 1 50 VAL H 1 72 ILE MG . . 5.450 4.986 4.716 5.385 . 0 0 "[ . 1 . 2]" 1
842 1 50 VAL HA 1 50 VAL MG1 . . 2.940 2.402 2.373 2.432 . 0 0 "[ . 1 . 2]" 1
843 1 50 VAL HA 1 50 VAL MG2 . . 2.810 2.386 2.351 2.412 . 0 0 "[ . 1 . 2]" 1
844 1 50 VAL HA 1 52 GLN H . . 5.170 4.688 4.555 4.872 . 0 0 "[ . 1 . 2]" 1
845 1 50 VAL HA 1 53 ILE H . . 4.020 3.602 3.477 3.742 . 0 0 "[ . 1 . 2]" 1
846 1 50 VAL HA 1 53 ILE HB . . 3.540 2.856 2.629 3.061 . 0 0 "[ . 1 . 2]" 1
847 1 50 VAL HA 1 53 ILE MD . . 3.260 2.886 2.514 3.084 . 0 0 "[ . 1 . 2]" 1
848 1 50 VAL HA 1 54 ALA H . . 4.050 3.825 3.747 3.970 . 0 0 "[ . 1 . 2]" 1
849 1 50 VAL HB 1 51 HIS H . . 3.320 2.470 2.382 2.544 . 0 0 "[ . 1 . 2]" 1
850 1 50 VAL HB 1 72 ILE MD . . 3.370 2.115 1.954 2.265 . 0 0 "[ . 1 . 2]" 1
851 1 50 VAL HB 1 72 ILE MG . . 4.070 3.148 2.706 3.611 . 0 0 "[ . 1 . 2]" 1
852 1 50 VAL MG1 1 51 HIS H . . 3.900 3.332 3.232 3.409 . 0 0 "[ . 1 . 2]" 1
853 1 50 VAL MG1 1 51 HIS HA . . 4.240 3.404 3.297 3.507 . 0 0 "[ . 1 . 2]" 1
854 1 50 VAL MG1 1 51 HIS HD2 . . 5.500 5.243 4.973 5.511 0.011 2 0 "[ . 1 . 2]" 1
855 1 50 VAL MG1 1 51 HIS HE1 . . 5.500 5.524 5.387 5.575 0.075 12 0 "[ . 1 . 2]" 1
856 1 50 VAL MG1 1 53 ILE MG . . 5.500 4.574 4.372 4.733 . 0 0 "[ . 1 . 2]" 1
857 1 50 VAL MG1 1 54 ALA H . . 4.360 3.776 3.686 3.902 . 0 0 "[ . 1 . 2]" 1
858 1 50 VAL MG1 1 54 ALA MB . . 4.020 2.946 2.808 3.171 . 0 0 "[ . 1 . 2]" 1
859 1 50 VAL MG1 1 59 LEU QD . . 5.500 5.285 5.021 5.526 0.026 14 0 "[ . 1 . 2]" 1
860 1 50 VAL MG1 1 61 HIS HB2 . . 5.500 3.774 3.564 4.026 . 0 0 "[ . 1 . 2]" 1
861 1 50 VAL MG1 1 61 HIS HB3 . . 5.490 3.735 3.405 3.977 . 0 0 "[ . 1 . 2]" 1
862 1 50 VAL MG1 1 72 ILE MD . . 3.090 1.990 1.875 2.115 . 0 0 "[ . 1 . 2]" 1
863 1 50 VAL MG1 1 72 ILE HG12 . . 5.400 3.133 3.004 3.280 . 0 0 "[ . 1 . 2]" 1
864 1 50 VAL MG1 1 72 ILE MG . . 3.210 2.735 2.270 3.105 . 0 0 "[ . 1 . 2]" 1
865 1 50 VAL MG1 1 74 VAL HA . . 5.500 4.673 4.464 4.822 . 0 0 "[ . 1 . 2]" 1
866 1 50 VAL MG1 1 74 VAL HB . . 5.500 4.244 4.081 4.325 . 0 0 "[ . 1 . 2]" 1
867 1 50 VAL MG1 1 74 VAL MG1 . . 3.570 3.612 3.564 3.661 0.091 20 0 "[ . 1 . 2]" 1
868 1 50 VAL MG1 1 74 VAL MG2 . . 2.910 2.092 2.014 2.156 . 0 0 "[ . 1 . 2]" 1
869 1 50 VAL MG2 1 51 HIS H . . 4.060 3.774 3.728 3.820 . 0 0 "[ . 1 . 2]" 1
870 1 50 VAL MG2 1 51 HIS HD2 . . 5.500 5.330 5.085 5.518 0.018 7 0 "[ . 1 . 2]" 1
871 1 50 VAL MG2 1 53 ILE MD . . 4.040 3.802 3.518 3.986 . 0 0 "[ . 1 . 2]" 1
872 1 50 VAL MG2 1 72 ILE MG . . 3.530 2.764 2.483 3.062 . 0 0 "[ . 1 . 2]" 1
873 1 50 VAL MG2 1 74 VAL MG1 . . 5.500 5.555 5.521 5.591 0.091 8 0 "[ . 1 . 2]" 1
874 1 50 VAL MG2 1 74 VAL MG2 . . 4.570 3.860 3.783 3.979 . 0 0 "[ . 1 . 2]" 1
875 1 51 HIS H 1 51 HIS HB2 . . 3.140 2.477 2.430 2.522 . 0 0 "[ . 1 . 2]" 1
876 1 51 HIS H 1 51 HIS HB3 . . 3.680 3.616 3.603 3.627 . 0 0 "[ . 1 . 2]" 1
877 1 51 HIS H 1 51 HIS HD2 . . 3.740 3.066 2.862 3.230 . 0 0 "[ . 1 . 2]" 1
878 1 51 HIS H 1 52 GLN H . . 3.310 2.864 2.795 2.952 . 0 0 "[ . 1 . 2]" 1
879 1 51 HIS H 1 52 GLN HA . . 5.500 5.420 5.378 5.472 . 0 0 "[ . 1 . 2]" 1
880 1 51 HIS H 1 52 GLN HG3 . . 5.500 4.915 4.696 5.216 . 0 0 "[ . 1 . 2]" 1
881 1 51 HIS H 1 53 ILE H . . 4.950 4.273 4.143 4.387 . 0 0 "[ . 1 . 2]" 1
882 1 51 HIS H 1 72 ILE MD . . 3.580 3.209 2.957 3.394 . 0 0 "[ . 1 . 2]" 1
883 1 51 HIS H 2 1 DGP H5' . . 5.500 5.242 4.595 5.545 0.045 20 0 "[ . 1 . 2]" 1
884 1 51 HIS HA 1 51 HIS HD2 . . 5.110 4.458 4.356 4.539 . 0 0 "[ . 1 . 2]" 1
885 1 51 HIS HA 1 54 ALA H . . 4.000 3.780 3.635 3.891 . 0 0 "[ . 1 . 2]" 1
886 1 51 HIS HA 1 54 ALA MB . . 3.870 2.963 2.776 3.119 . 0 0 "[ . 1 . 2]" 1
887 1 51 HIS HA 1 55 GLU H . . 4.750 3.887 3.755 3.986 . 0 0 "[ . 1 . 2]" 1
888 1 51 HIS HA 1 61 HIS HB2 . . 5.390 3.201 2.779 3.838 . 0 0 "[ . 1 . 2]" 1
889 1 51 HIS HA 1 61 HIS HE1 . . 4.580 3.749 3.448 4.031 . 0 0 "[ . 1 . 2]" 1
890 1 51 HIS HA 1 72 ILE MD . . 4.320 3.258 2.889 3.598 . 0 0 "[ . 1 . 2]" 1
891 1 51 HIS HA 1 74 VAL MG2 . . 4.960 4.592 4.418 4.729 . 0 0 "[ . 1 . 2]" 1
892 1 51 HIS HB2 1 51 HIS HD2 . . 3.750 2.680 2.654 2.714 . 0 0 "[ . 1 . 2]" 1
893 1 51 HIS HB2 1 52 GLN H . . 3.260 2.436 2.337 2.533 . 0 0 "[ . 1 . 2]" 1
894 1 51 HIS HB2 1 61 HIS HE1 . . 4.620 4.637 4.613 4.669 0.049 20 0 "[ . 1 . 2]" 1
895 1 51 HIS HB3 1 51 HIS HD2 . . 3.950 3.763 3.709 3.818 . 0 0 "[ . 1 . 2]" 1
896 1 51 HIS HB3 1 52 GLN H . . 3.500 3.336 3.182 3.466 . 0 0 "[ . 1 . 2]" 1
897 1 51 HIS HB3 1 61 HIS HE1 . . 3.930 2.896 2.870 2.928 . 0 0 "[ . 1 . 2]" 1
898 1 51 HIS HD2 1 52 GLN H . . 4.850 4.736 4.653 4.817 . 0 0 "[ . 1 . 2]" 1
899 1 51 HIS HD2 1 72 ILE MD . . 4.070 3.325 3.015 3.705 . 0 0 "[ . 1 . 2]" 1
900 1 51 HIS HD2 1 72 ILE MG . . 5.500 5.236 4.963 5.526 0.026 2 0 "[ . 1 . 2]" 1
901 1 51 HIS HD2 2 1 DGP H1' . . 4.130 3.955 3.659 4.135 0.005 11 0 "[ . 1 . 2]" 1
902 1 51 HIS HD2 2 1 DGP H2' . . 5.500 5.109 4.872 5.424 . 0 0 "[ . 1 . 2]" 1
903 1 51 HIS HD2 2 1 DGP H3' . . 5.500 5.220 4.754 5.469 . 0 0 "[ . 1 . 2]" 1
904 1 51 HIS HD2 2 1 DGP H4' . . 3.980 3.436 3.194 3.729 . 0 0 "[ . 1 . 2]" 1
905 1 51 HIS HD2 2 1 DGP H5' . . 3.110 2.582 1.838 2.931 . 0 0 "[ . 1 . 2]" 1
906 1 51 HIS HD2 2 1 DGP H8 . . 4.500 4.308 4.057 4.539 0.039 16 0 "[ . 1 . 2]" 1
907 1 51 HIS HE1 1 61 HIS HB2 . . 4.180 3.730 3.617 3.842 . 0 0 "[ . 1 . 2]" 1
908 1 51 HIS HE1 1 61 HIS HB3 . . 5.460 5.478 5.370 5.575 0.115 2 0 "[ . 1 . 2]" 1
909 1 51 HIS HE1 1 61 HIS HE1 . . 5.500 5.450 4.912 5.563 0.063 20 0 "[ . 1 . 2]" 1
910 1 51 HIS HE1 1 62 ASP H . . 5.500 4.454 3.902 5.024 . 0 0 "[ . 1 . 2]" 1
911 1 51 HIS HE1 1 62 ASP HA . . 3.900 3.189 2.286 3.947 0.047 17 0 "[ . 1 . 2]" 1
912 1 51 HIS HE1 1 63 SER HA . . 5.500 4.706 4.197 5.401 . 0 0 "[ . 1 . 2]" 1
913 1 51 HIS HE1 1 63 SER QB . . 5.340 3.916 2.771 4.927 . 0 0 "[ . 1 . 2]" 1
914 1 51 HIS HE1 1 72 ILE MD . . 5.300 2.938 2.731 3.149 . 0 0 "[ . 1 . 2]" 1
915 1 51 HIS HE1 1 72 ILE HG12 . . 5.500 4.764 4.624 4.900 . 0 0 "[ . 1 . 2]" 1
916 1 51 HIS HE1 1 72 ILE HG13 . . 5.500 3.236 3.077 3.361 . 0 0 "[ . 1 . 2]" 1
917 1 51 HIS HE1 1 72 ILE MG . . 5.500 5.285 5.060 5.493 . 0 0 "[ . 1 . 2]" 1
918 1 51 HIS HE1 1 73 THR H . . 5.500 5.458 5.090 5.553 0.053 1 0 "[ . 1 . 2]" 1
919 1 51 HIS HE1 2 1 DGP H5' . . 5.500 4.852 4.272 5.122 . 0 0 "[ . 1 . 2]" 1
920 1 51 HIS HE1 2 1 DGP H8 . . 5.450 4.370 4.043 4.726 . 0 0 "[ . 1 . 2]" 1
921 1 52 GLN H 1 52 GLN HB2 . . 3.080 2.365 2.276 2.470 . 0 0 "[ . 1 . 2]" 1
922 1 52 GLN H 1 52 GLN HB3 . . 3.550 3.562 3.537 3.584 0.034 2 0 "[ . 1 . 2]" 1
923 1 52 GLN H 1 52 GLN HE21 . . 5.500 4.776 4.424 5.261 . 0 0 "[ . 1 . 2]" 1
924 1 52 GLN H 1 52 GLN HG2 . . 3.900 3.604 3.445 3.776 . 0 0 "[ . 1 . 2]" 1
925 1 52 GLN H 1 52 GLN HG3 . . 3.030 2.429 2.247 2.595 . 0 0 "[ . 1 . 2]" 1
926 1 52 GLN H 1 53 ILE H . . 3.300 2.805 2.691 2.936 . 0 0 "[ . 1 . 2]" 1
927 1 52 GLN H 1 54 ALA H . . 4.990 4.416 4.279 4.544 . 0 0 "[ . 1 . 2]" 1
928 1 52 GLN H 2 1 DGP H1' . . 5.500 5.507 5.345 5.567 0.067 4 0 "[ . 1 . 2]" 1
929 1 52 GLN HA 1 52 GLN HE21 . . 5.020 4.896 4.684 5.020 0.000 13 0 "[ . 1 . 2]" 1
930 1 52 GLN HA 1 52 GLN HG2 . . 3.030 2.462 2.322 2.551 . 0 0 "[ . 1 . 2]" 1
931 1 52 GLN HA 1 55 GLU H . . 3.860 3.726 3.435 3.936 0.076 19 0 "[ . 1 . 2]" 1
932 1 52 GLN HB2 1 53 ILE H . . 3.470 2.622 2.428 2.884 . 0 0 "[ . 1 . 2]" 1
933 1 52 GLN HB3 1 52 GLN HE22 . . 5.380 4.614 4.418 4.751 . 0 0 "[ . 1 . 2]" 1
934 1 52 GLN HE21 1 52 GLN HG2 . . 3.380 2.685 2.217 2.896 . 0 0 "[ . 1 . 2]" 1
935 1 52 GLN HE22 1 52 GLN HG2 . . 3.920 3.678 3.471 3.770 . 0 0 "[ . 1 . 2]" 1
936 1 52 GLN HG2 1 53 ILE H . . 5.010 5.008 4.933 5.076 0.066 7 0 "[ . 1 . 2]" 1
937 1 52 GLN HG3 1 53 ILE H . . 4.970 4.509 4.331 4.694 . 0 0 "[ . 1 . 2]" 1
938 1 53 ILE H 1 53 ILE HB . . 3.020 2.476 2.422 2.523 . 0 0 "[ . 1 . 2]" 1
939 1 53 ILE H 1 53 ILE MD . . 3.690 3.508 3.369 3.639 . 0 0 "[ . 1 . 2]" 1
940 1 53 ILE H 1 53 ILE HG13 . . 2.950 2.234 2.090 2.412 . 0 0 "[ . 1 . 2]" 1
941 1 53 ILE H 1 54 ALA H . . 3.120 2.710 2.639 2.811 . 0 0 "[ . 1 . 2]" 1
942 1 53 ILE H 1 54 ALA MB . . 4.800 4.385 4.320 4.456 . 0 0 "[ . 1 . 2]" 1
943 1 53 ILE H 1 55 GLU H . . 4.580 3.975 3.804 4.097 . 0 0 "[ . 1 . 2]" 1
944 1 53 ILE HA 1 53 ILE HG12 . . 3.790 2.537 2.472 2.607 . 0 0 "[ . 1 . 2]" 1
945 1 53 ILE HA 1 53 ILE HG13 . . 2.810 2.845 2.808 2.875 0.065 16 0 "[ . 1 . 2]" 1
946 1 53 ILE HA 1 53 ILE MG . . 2.750 2.441 2.395 2.507 . 0 0 "[ . 1 . 2]" 1
947 1 53 ILE HA 1 56 GLU H . . 3.800 3.399 3.210 3.636 . 0 0 "[ . 1 . 2]" 1
948 1 53 ILE HA 1 57 HIS HD2 . . 5.500 3.589 3.033 3.847 . 0 0 "[ . 1 . 2]" 1
949 1 53 ILE HB 1 53 ILE MD . . 3.020 2.383 2.350 2.401 . 0 0 "[ . 1 . 2]" 1
950 1 53 ILE HB 1 54 ALA H . . 3.160 2.546 2.404 2.679 . 0 0 "[ . 1 . 2]" 1
951 1 53 ILE MD 1 53 ILE MG . . 2.520 1.993 1.952 2.043 . 0 0 "[ . 1 . 2]" 1
952 1 53 ILE HG12 1 53 ILE MG . . 2.790 2.329 2.303 2.355 . 0 0 "[ . 1 . 2]" 1
953 1 53 ILE HG13 1 53 ILE MG . . 3.460 3.196 3.188 3.202 . 0 0 "[ . 1 . 2]" 1
954 1 53 ILE HG13 1 54 ALA H . . 4.450 4.313 4.234 4.445 . 0 0 "[ . 1 . 2]" 1
955 1 53 ILE MG 1 54 ALA H . . 3.570 3.244 3.068 3.422 . 0 0 "[ . 1 . 2]" 1
956 1 53 ILE MG 1 56 GLU H . . 5.050 4.554 4.442 4.710 . 0 0 "[ . 1 . 2]" 1
957 1 53 ILE MG 1 56 GLU QB . . 4.870 3.691 3.359 4.269 . 0 0 "[ . 1 . 2]" 1
958 1 53 ILE MG 1 57 HIS H . . 4.240 3.927 3.845 4.009 . 0 0 "[ . 1 . 2]" 1
959 1 53 ILE MG 1 57 HIS HB2 . . 4.280 3.788 3.502 4.084 . 0 0 "[ . 1 . 2]" 1
960 1 53 ILE MG 1 57 HIS HD2 . . 5.500 2.814 2.197 3.039 . 0 0 "[ . 1 . 2]" 1
961 1 54 ALA H 1 54 ALA MB . . 2.740 2.242 2.234 2.251 . 0 0 "[ . 1 . 2]" 1
962 1 54 ALA H 1 55 GLU H . . 3.170 2.595 2.544 2.676 . 0 0 "[ . 1 . 2]" 1
963 1 54 ALA H 1 55 GLU QB . . 5.040 4.291 4.218 4.376 . 0 0 "[ . 1 . 2]" 1
964 1 54 ALA H 1 56 GLU H . . 4.620 4.058 3.842 4.214 . 0 0 "[ . 1 . 2]" 1
965 1 54 ALA H 1 61 HIS HD2 . . 5.290 5.296 5.093 5.362 0.072 11 0 "[ . 1 . 2]" 1
966 1 54 ALA HA 1 57 HIS H . . 3.730 3.323 3.165 3.461 . 0 0 "[ . 1 . 2]" 1
967 1 54 ALA HA 1 57 HIS HB2 . . 4.690 2.508 2.296 2.810 . 0 0 "[ . 1 . 2]" 1
968 1 54 ALA HA 1 57 HIS HD2 . . 5.430 4.485 3.850 4.892 . 0 0 "[ . 1 . 2]" 1
969 1 54 ALA HA 1 59 LEU H . . 3.940 3.656 3.379 3.897 . 0 0 "[ . 1 . 2]" 1
970 1 54 ALA HA 1 59 LEU HB2 . . 4.140 3.210 2.878 3.489 . 0 0 "[ . 1 . 2]" 1
971 1 54 ALA HA 1 59 LEU HB3 . . 5.500 4.885 4.568 5.139 . 0 0 "[ . 1 . 2]" 1
972 1 54 ALA HA 1 59 LEU QD . . 3.170 3.048 2.807 3.208 0.038 6 0 "[ . 1 . 2]" 1
973 1 54 ALA HA 1 59 LEU HG . . 4.180 3.787 3.473 4.054 . 0 0 "[ . 1 . 2]" 1
974 1 54 ALA HA 1 74 VAL MG1 . . 4.110 3.827 3.487 4.072 . 0 0 "[ . 1 . 2]" 1
975 1 54 ALA HA 1 74 VAL MG2 . . 5.210 4.893 4.551 5.198 . 0 0 "[ . 1 . 2]" 1
976 1 54 ALA MB 1 55 GLU H . . 3.080 2.607 2.524 2.718 . 0 0 "[ . 1 . 2]" 1
977 1 54 ALA MB 1 55 GLU HA . . 5.080 3.885 3.814 3.933 . 0 0 "[ . 1 . 2]" 1
978 1 54 ALA MB 1 55 GLU QB . . 5.210 3.811 3.739 3.880 . 0 0 "[ . 1 . 2]" 1
979 1 54 ALA MB 1 59 LEU H . . 3.890 3.552 3.325 3.812 . 0 0 "[ . 1 . 2]" 1
980 1 54 ALA MB 1 59 LEU HA . . 5.130 4.819 4.612 4.957 . 0 0 "[ . 1 . 2]" 1
981 1 54 ALA MB 1 59 LEU HB2 . . 3.100 2.344 2.164 2.526 . 0 0 "[ . 1 . 2]" 1
982 1 54 ALA MB 1 59 LEU HB3 . . 4.290 3.696 3.478 3.875 . 0 0 "[ . 1 . 2]" 1
983 1 54 ALA MB 1 59 LEU QD . . 3.310 3.133 2.854 3.330 0.020 18 0 "[ . 1 . 2]" 1
984 1 54 ALA MB 1 61 HIS H . . 4.840 4.388 3.796 4.821 . 0 0 "[ . 1 . 2]" 1
985 1 54 ALA MB 1 61 HIS HA . . 4.550 4.125 3.788 4.520 . 0 0 "[ . 1 . 2]" 1
986 1 54 ALA MB 1 61 HIS HB2 . . 3.830 3.433 3.243 3.771 . 0 0 "[ . 1 . 2]" 1
987 1 54 ALA MB 1 61 HIS HB3 . . 3.410 2.353 2.091 2.736 . 0 0 "[ . 1 . 2]" 1
988 1 54 ALA MB 1 61 HIS HD2 . . 3.100 2.574 2.407 2.736 . 0 0 "[ . 1 . 2]" 1
989 1 54 ALA MB 1 72 ILE MD . . 4.370 4.068 3.875 4.290 . 0 0 "[ . 1 . 2]" 1
990 1 54 ALA MB 1 74 VAL HA . . 4.660 4.184 3.871 4.433 . 0 0 "[ . 1 . 2]" 1
991 1 54 ALA MB 1 74 VAL MG1 . . 2.990 2.302 2.126 2.493 . 0 0 "[ . 1 . 2]" 1
992 1 54 ALA MB 1 74 VAL MG2 . . 3.490 2.784 2.548 3.073 . 0 0 "[ . 1 . 2]" 1
993 1 55 GLU H 1 55 GLU HB2 . . 3.120 2.409 2.323 2.479 . 0 0 "[ . 1 . 2]" 1
994 1 55 GLU H 1 55 GLU QB . . 2.600 2.200 2.174 2.233 . 0 0 "[ . 1 . 2]" 1
995 1 55 GLU H 1 55 GLU HB3 . . 3.120 2.546 2.436 2.628 . 0 0 "[ . 1 . 2]" 1
996 1 55 GLU H 1 55 GLU HG3 . . 4.460 4.389 4.336 4.429 . 0 0 "[ . 1 . 2]" 1
997 1 55 GLU H 1 56 GLU H . . 3.100 2.608 2.520 2.699 . 0 0 "[ . 1 . 2]" 1
998 1 55 GLU H 1 57 HIS H . . 4.630 4.070 3.939 4.162 . 0 0 "[ . 1 . 2]" 1
999 1 55 GLU H 1 61 HIS HD2 . . 4.260 4.041 3.858 4.328 0.068 3 0 "[ . 1 . 2]" 1
1000 1 55 GLU H 1 61 HIS HE1 . . 5.500 4.559 4.264 4.892 . 0 0 "[ . 1 . 2]" 1
1001 1 55 GLU HA 1 55 GLU HG2 . . 3.590 3.198 3.148 3.266 . 0 0 "[ . 1 . 2]" 1
1002 1 55 GLU HA 1 55 GLU HG3 . . 3.450 2.493 2.379 2.623 . 0 0 "[ . 1 . 2]" 1
1003 1 55 GLU HA 1 57 HIS H . . 4.500 4.498 4.339 4.560 0.060 13 0 "[ . 1 . 2]" 1
1004 1 55 GLU HA 1 58 GLY H . . 3.700 3.519 3.246 3.692 . 0 0 "[ . 1 . 2]" 1
1005 1 55 GLU HA 1 59 LEU H . . 3.950 3.792 3.378 4.026 0.076 20 0 "[ . 1 . 2]" 1
1006 1 55 GLU HA 1 61 HIS HD2 . . 4.130 3.465 3.121 3.973 . 0 0 "[ . 1 . 2]" 1
1007 1 55 GLU QB 1 56 GLU H . . 3.570 2.621 2.521 2.754 . 0 0 "[ . 1 . 2]" 1
1008 1 55 GLU QB 1 57 HIS H . . 5.340 4.748 4.693 4.858 . 0 0 "[ . 1 . 2]" 1
1009 1 55 GLU QB 1 61 HIS HE1 . . 3.940 2.829 2.593 3.126 . 0 0 "[ . 1 . 2]" 1
1010 1 55 GLU HG2 1 56 GLU HA . . 4.990 4.086 3.869 4.341 . 0 0 "[ . 1 . 2]" 1
1011 1 55 GLU HG3 1 56 GLU H . . 5.050 4.820 4.759 4.905 . 0 0 "[ . 1 . 2]" 1
1012 1 55 GLU HG3 1 61 HIS HE1 . . 4.450 4.104 3.685 4.441 . 0 0 "[ . 1 . 2]" 1
1013 1 56 GLU H 1 56 GLU HB2 . . 2.920 2.558 2.339 2.723 . 0 0 "[ . 1 . 2]" 1
1014 1 56 GLU H 1 56 GLU HB3 . . 2.920 2.511 2.372 2.686 . 0 0 "[ . 1 . 2]" 1
1015 1 56 GLU H 1 56 GLU QG . . 4.640 3.988 3.938 4.071 . 0 0 "[ . 1 . 2]" 1
1016 1 56 GLU H 1 57 HIS H . . 3.100 2.538 2.355 2.696 . 0 0 "[ . 1 . 2]" 1
1017 1 56 GLU H 1 58 GLY H . . 4.580 3.861 3.738 4.018 . 0 0 "[ . 1 . 2]" 1
1018 1 56 GLU HA 1 56 GLU HG2 . . 3.880 3.322 2.341 3.861 . 0 0 "[ . 1 . 2]" 1
1019 1 56 GLU HA 1 56 GLU QG . . 3.290 2.616 2.297 3.109 . 0 0 "[ . 1 . 2]" 1
1020 1 56 GLU HA 1 56 GLU HG3 . . 3.880 2.794 2.366 3.579 . 0 0 "[ . 1 . 2]" 1
1021 1 56 GLU QB 1 57 HIS H . . 3.420 2.570 2.375 2.797 . 0 0 "[ . 1 . 2]" 1
1022 1 56 GLU QB 1 58 GLY H . . 5.340 4.566 4.422 4.785 . 0 0 "[ . 1 . 2]" 1
1023 1 56 GLU HB2 1 57 HIS H . . 4.000 3.857 3.683 4.003 0.003 1 0 "[ . 1 . 2]" 1
1024 1 56 GLU HB2 1 57 HIS HD2 . . 5.500 4.284 3.960 4.705 . 0 0 "[ . 1 . 2]" 1
1025 1 56 GLU HB3 1 57 HIS H . . 4.000 2.611 2.402 2.865 . 0 0 "[ . 1 . 2]" 1
1026 1 56 GLU HB3 1 57 HIS HD2 . . 5.500 2.564 2.251 2.979 . 0 0 "[ . 1 . 2]" 1
1027 1 56 GLU QG 1 57 HIS H . . 4.740 3.703 3.347 4.336 . 0 0 "[ . 1 . 2]" 1
1028 1 56 GLU HG2 1 57 HIS H . . 5.500 4.171 3.565 4.938 . 0 0 "[ . 1 . 2]" 1
1029 1 56 GLU HG3 1 57 HIS H . . 5.500 4.438 3.485 5.003 . 0 0 "[ . 1 . 2]" 1
1030 1 57 HIS H 1 57 HIS HB2 . . 3.240 2.316 2.257 2.374 . 0 0 "[ . 1 . 2]" 1
1031 1 57 HIS H 1 57 HIS HB3 . . 3.640 3.569 3.544 3.589 . 0 0 "[ . 1 . 2]" 1
1032 1 57 HIS H 1 57 HIS HD2 . . 4.120 2.536 2.363 2.748 . 0 0 "[ . 1 . 2]" 1
1033 1 57 HIS H 1 58 GLY H . . 3.050 2.545 2.450 2.604 . 0 0 "[ . 1 . 2]" 1
1034 1 57 HIS H 1 58 GLY QA . . 4.550 4.449 4.370 4.509 . 0 0 "[ . 1 . 2]" 1
1035 1 57 HIS H 1 59 LEU H . . 4.190 4.073 3.750 4.228 0.038 3 0 "[ . 1 . 2]" 1
1036 1 57 HIS H 1 59 LEU HG . . 5.060 4.748 4.403 5.016 . 0 0 "[ . 1 . 2]" 1
1037 1 57 HIS HA 1 57 HIS HD2 . . 3.840 3.103 2.803 3.727 . 0 0 "[ . 1 . 2]" 1
1038 1 57 HIS HA 1 57 HIS HE1 . . 5.500 5.424 5.178 5.532 0.032 10 0 "[ . 1 . 2]" 1
1039 1 57 HIS HB2 1 57 HIS HD2 . . 3.520 3.236 2.946 3.371 . 0 0 "[ . 1 . 2]" 1
1040 1 57 HIS HB2 1 58 GLY H . . 4.320 3.046 2.855 3.358 . 0 0 "[ . 1 . 2]" 1
1041 1 57 HIS HB2 1 59 LEU H . . 4.390 3.403 3.049 3.658 . 0 0 "[ . 1 . 2]" 1
1042 1 57 HIS HB2 1 59 LEU QD . . 4.410 3.104 2.836 3.386 . 0 0 "[ . 1 . 2]" 1
1043 1 57 HIS HB2 1 59 LEU HG . . 5.500 2.808 2.307 3.214 . 0 0 "[ . 1 . 2]" 1
1044 1 57 HIS HB3 1 57 HIS HD2 . . 3.960 3.940 3.908 3.965 0.005 4 0 "[ . 1 . 2]" 1
1045 1 57 HIS HB3 1 58 GLY H . . 4.910 3.767 3.549 4.014 . 0 0 "[ . 1 . 2]" 1
1046 1 57 HIS HB3 1 59 LEU H . . 4.680 4.081 3.543 4.450 . 0 0 "[ . 1 . 2]" 1
1047 1 57 HIS HB3 1 59 LEU QD . . 3.410 2.979 2.601 3.272 . 0 0 "[ . 1 . 2]" 1
1048 1 57 HIS HB3 1 59 LEU HG . . 4.630 2.636 2.165 3.007 . 0 0 "[ . 1 . 2]" 1
1049 1 58 GLY H 1 58 GLY QA . . 2.740 2.272 2.230 2.314 . 0 0 "[ . 1 . 2]" 1
1050 1 58 GLY H 1 59 LEU H . . 3.200 2.226 2.096 2.431 . 0 0 "[ . 1 . 2]" 1
1051 1 58 GLY H 1 59 LEU QD . . 4.920 4.326 4.166 4.507 . 0 0 "[ . 1 . 2]" 1
1052 1 58 GLY H 1 59 LEU HG . . 5.030 3.832 3.596 4.080 . 0 0 "[ . 1 . 2]" 1
1053 1 58 GLY QA 1 59 LEU H . . 3.460 2.783 2.674 2.880 . 0 0 "[ . 1 . 2]" 1
1054 1 59 LEU H 1 59 LEU HB2 . . 3.150 2.596 2.536 2.686 . 0 0 "[ . 1 . 2]" 1
1055 1 59 LEU H 1 59 LEU QD . . 3.450 3.260 3.075 3.366 . 0 0 "[ . 1 . 2]" 1
1056 1 59 LEU H 1 59 LEU HG . . 3.130 2.619 2.396 2.797 . 0 0 "[ . 1 . 2]" 1
1057 1 59 LEU H 1 60 ARG H . . 4.580 4.491 4.360 4.558 . 0 0 "[ . 1 . 2]" 1
1058 1 59 LEU H 1 61 HIS HD2 . . 4.810 4.154 3.677 4.543 . 0 0 "[ . 1 . 2]" 1
1059 1 59 LEU HA 1 59 LEU QD . . 2.710 2.116 2.066 2.188 . 0 0 "[ . 1 . 2]" 1
1060 1 59 LEU HA 1 59 LEU HG . . 3.410 3.205 3.160 3.338 . 0 0 "[ . 1 . 2]" 1
1061 1 59 LEU HA 1 60 ARG H . . 3.070 2.534 2.423 2.709 . 0 0 "[ . 1 . 2]" 1
1062 1 59 LEU HA 1 61 HIS HD2 . . 5.500 5.221 4.858 5.381 . 0 0 "[ . 1 . 2]" 1
1063 1 59 LEU HA 1 74 VAL MG1 . . 5.290 4.844 4.581 5.134 . 0 0 "[ . 1 . 2]" 1
1064 1 59 LEU HB2 1 59 LEU QD . . 2.930 2.261 2.236 2.293 . 0 0 "[ . 1 . 2]" 1
1065 1 59 LEU HB2 1 76 LYS HA . . 4.750 4.815 4.651 4.867 0.117 1 0 "[ . 1 . 2]" 1
1066 1 59 LEU HB3 1 59 LEU QD . . 2.820 2.116 2.104 2.124 . 0 0 "[ . 1 . 2]" 1
1067 1 59 LEU HB3 1 74 VAL MG1 . . 3.640 2.916 2.662 3.184 . 0 0 "[ . 1 . 2]" 1
1068 1 59 LEU QD 1 60 ARG H . . 3.710 3.425 3.263 3.579 . 0 0 "[ . 1 . 2]" 1
1069 1 59 LEU QD 1 61 HIS HD2 . . 5.500 5.148 4.798 5.341 . 0 0 "[ . 1 . 2]" 1
1070 1 59 LEU QD 1 74 VAL HA . . 5.500 5.087 4.857 5.288 . 0 0 "[ . 1 . 2]" 1
1071 1 59 LEU QD 1 75 SER HA . . 5.260 4.829 4.659 5.082 . 0 0 "[ . 1 . 2]" 1
1072 1 59 LEU QD 1 76 LYS H . . 4.570 4.186 4.029 4.362 . 0 0 "[ . 1 . 2]" 1
1073 1 59 LEU QD 1 76 LYS HA . . 2.890 2.079 1.903 2.318 . 0 0 "[ . 1 . 2]" 1
1074 1 59 LEU QD 1 76 LYS QB . . 3.760 3.262 2.940 3.459 . 0 0 "[ . 1 . 2]" 1
1075 1 59 LEU QD 1 76 LYS QG . . 3.620 2.541 1.947 3.135 . 0 0 "[ . 1 . 2]" 1
1076 1 59 LEU QD 1 77 ARG H . . 4.990 4.295 1.922 5.073 0.083 15 0 "[ . 1 . 2]" 1
1077 1 60 ARG H 1 60 ARG HB2 . . 3.520 2.759 2.494 2.984 . 0 0 "[ . 1 . 2]" 1
1078 1 60 ARG H 1 60 ARG QB . . 2.940 2.346 2.301 2.453 . 0 0 "[ . 1 . 2]" 1
1079 1 60 ARG H 1 60 ARG HB3 . . 3.520 2.571 2.423 2.825 . 0 0 "[ . 1 . 2]" 1
1080 1 60 ARG H 1 61 HIS H . . 4.650 4.491 4.326 4.556 . 0 0 "[ . 1 . 2]" 1
1081 1 60 ARG HA 1 60 ARG QG . . 3.040 2.437 2.310 2.531 . 0 0 "[ . 1 . 2]" 1
1082 1 60 ARG HA 1 61 HIS H . . 2.610 2.194 2.095 2.323 . 0 0 "[ . 1 . 2]" 1
1083 1 60 ARG HA 1 61 HIS HD2 . . 3.150 3.059 2.946 3.145 . 0 0 "[ . 1 . 2]" 1
1084 1 60 ARG QB 1 60 ARG QD . . 2.540 2.193 2.089 2.328 . 0 0 "[ . 1 . 2]" 1
1085 1 60 ARG QB 1 61 HIS H . . 3.830 3.632 3.426 3.830 . 0 0 "[ . 1 . 2]" 1
1086 1 60 ARG QB 1 75 SER H . . 4.140 3.080 2.783 3.350 . 0 0 "[ . 1 . 2]" 1
1087 1 60 ARG QB 1 75 SER QB . . 5.180 2.437 1.901 3.622 . 0 0 "[ . 1 . 2]" 1
1088 1 60 ARG HB2 1 61 HIS H . . 4.690 4.174 3.944 4.447 . 0 0 "[ . 1 . 2]" 1
1089 1 60 ARG HB2 1 61 HIS HD2 . . 5.500 5.458 5.309 5.535 0.035 10 0 "[ . 1 . 2]" 1
1090 1 60 ARG HB2 1 75 SER H . . 4.920 4.687 4.349 4.934 0.014 18 0 "[ . 1 . 2]" 1
1091 1 60 ARG HB3 1 61 HIS H . . 4.690 4.005 3.623 4.249 . 0 0 "[ . 1 . 2]" 1
1092 1 60 ARG HB3 1 61 HIS HD2 . . 5.500 5.513 5.409 5.610 0.110 20 0 "[ . 1 . 2]" 1
1093 1 60 ARG HB3 1 75 SER H . . 4.920 3.125 2.811 3.410 . 0 0 "[ . 1 . 2]" 1
1094 1 60 ARG QG 1 61 HIS H . . 3.450 2.551 2.199 3.053 . 0 0 "[ . 1 . 2]" 1
1095 1 60 ARG QG 1 75 SER H . . 5.020 4.056 3.489 4.745 . 0 0 "[ . 1 . 2]" 1
1096 1 60 ARG HG2 1 61 HIS HD2 . . 5.500 5.232 4.901 5.528 0.028 11 0 "[ . 1 . 2]" 1
1097 1 60 ARG HG3 1 61 HIS HD2 . . 5.500 5.309 5.021 5.559 0.059 3 0 "[ . 1 . 2]" 1
1098 1 61 HIS H 1 61 HIS HB3 . . 4.040 3.453 3.214 3.582 . 0 0 "[ . 1 . 2]" 1
1099 1 61 HIS H 1 61 HIS HD2 . . 3.230 2.788 2.115 3.220 . 0 0 "[ . 1 . 2]" 1
1100 1 61 HIS H 1 62 ASP H . . 4.300 4.231 4.099 4.343 0.043 5 0 "[ . 1 . 2]" 1
1101 1 61 HIS H 1 74 VAL HA . . 5.400 4.861 4.680 5.032 . 0 0 "[ . 1 . 2]" 1
1102 1 61 HIS H 1 75 SER H . . 5.430 4.711 4.434 4.916 . 0 0 "[ . 1 . 2]" 1
1103 1 61 HIS HA 1 61 HIS HD2 . . 4.410 4.211 4.100 4.275 . 0 0 "[ . 1 . 2]" 1
1104 1 61 HIS HA 1 62 ASP H . . 2.720 2.131 2.079 2.200 . 0 0 "[ . 1 . 2]" 1
1105 1 61 HIS HA 1 72 ILE MD . . 4.950 4.215 3.800 4.691 . 0 0 "[ . 1 . 2]" 1
1106 1 61 HIS HA 1 73 THR HB . . 5.500 5.146 4.761 5.461 . 0 0 "[ . 1 . 2]" 1
1107 1 61 HIS HA 1 74 VAL HA . . 4.210 2.365 2.158 2.500 . 0 0 "[ . 1 . 2]" 1
1108 1 61 HIS HA 1 74 VAL MG1 . . 3.850 3.540 3.331 3.764 . 0 0 "[ . 1 . 2]" 1
1109 1 61 HIS HA 1 74 VAL MG2 . . 3.820 3.313 2.851 3.666 . 0 0 "[ . 1 . 2]" 1
1110 1 61 HIS HA 1 75 SER H . . 4.010 3.313 2.951 3.764 . 0 0 "[ . 1 . 2]" 1
1111 1 61 HIS HB2 1 62 ASP H . . 3.600 3.245 2.974 3.470 . 0 0 "[ . 1 . 2]" 1
1112 1 61 HIS HB2 1 72 ILE MD . . 3.770 2.543 2.302 2.970 . 0 0 "[ . 1 . 2]" 1
1113 1 61 HIS HB2 1 74 VAL HA . . 4.670 4.154 3.663 4.681 0.011 20 0 "[ . 1 . 2]" 1
1114 1 61 HIS HB2 1 74 VAL MG2 . . 5.250 3.301 3.011 3.683 . 0 0 "[ . 1 . 2]" 1
1115 1 61 HIS HB3 1 61 HIS HD2 . . 3.790 2.914 2.847 3.016 . 0 0 "[ . 1 . 2]" 1
1116 1 61 HIS HB3 1 62 ASP H . . 3.980 4.011 3.851 4.115 0.135 20 0 "[ . 1 . 2]" 1
1117 1 61 HIS HB3 1 72 ILE MD . . 4.100 3.584 3.395 3.921 . 0 0 "[ . 1 . 2]" 1
1118 1 61 HIS HB3 1 74 VAL HA . . 4.570 3.339 2.746 3.873 . 0 0 "[ . 1 . 2]" 1
1119 1 61 HIS HB3 1 74 VAL MG1 . . 4.910 2.910 2.520 3.376 . 0 0 "[ . 1 . 2]" 1
1120 1 61 HIS HB3 1 74 VAL MG2 . . 4.490 2.671 2.360 3.075 . 0 0 "[ . 1 . 2]" 1
1121 1 61 HIS HD2 1 74 VAL MG1 . . 5.500 4.246 3.637 4.575 . 0 0 "[ . 1 . 2]" 1
1122 1 61 HIS HD2 1 74 VAL MG2 . . 5.500 5.075 4.645 5.439 . 0 0 "[ . 1 . 2]" 1
1123 1 62 ASP H 1 62 ASP HB2 . . 4.030 3.454 2.629 3.973 . 0 0 "[ . 1 . 2]" 1
1124 1 62 ASP H 1 62 ASP QB . . 3.190 2.842 2.556 3.247 0.057 2 0 "[ . 1 . 2]" 1
1125 1 62 ASP H 1 62 ASP HB3 . . 4.030 3.110 2.650 3.820 . 0 0 "[ . 1 . 2]" 1
1126 1 62 ASP H 1 63 SER H . . 4.500 4.330 4.229 4.404 . 0 0 "[ . 1 . 2]" 1
1127 1 62 ASP H 1 72 ILE MD . . 4.370 4.036 3.666 4.337 . 0 0 "[ . 1 . 2]" 1
1128 1 62 ASP H 1 72 ILE HG12 . . 4.050 3.802 3.526 4.025 . 0 0 "[ . 1 . 2]" 1
1129 1 62 ASP H 1 72 ILE HG13 . . 3.830 3.321 2.887 3.803 . 0 0 "[ . 1 . 2]" 1
1130 1 62 ASP H 1 74 VAL HA . . 3.770 3.617 3.386 3.799 0.029 2 0 "[ . 1 . 2]" 1
1131 1 62 ASP H 1 74 VAL MG2 . . 4.790 4.182 3.866 4.437 . 0 0 "[ . 1 . 2]" 1
1132 1 62 ASP H 1 75 SER H . . 5.500 4.778 4.192 5.232 . 0 0 "[ . 1 . 2]" 1
1133 1 62 ASP HA 1 63 SER H . . 2.770 2.286 2.113 2.488 . 0 0 "[ . 1 . 2]" 1
1134 1 62 ASP HA 1 63 SER HB2 . . 5.500 4.885 4.287 5.630 0.130 6 0 "[ . 1 . 2]" 1
1135 1 62 ASP HA 1 63 SER HB3 . . 5.500 5.330 4.506 5.658 0.158 3 0 "[ . 1 . 2]" 1
1136 1 62 ASP QB 1 63 SER H . . 3.670 3.163 2.252 3.697 0.027 5 0 "[ . 1 . 2]" 1
1137 1 62 ASP HB2 1 63 SER H . . 4.240 3.603 2.272 4.149 . 0 0 "[ . 1 . 2]" 1
1138 1 62 ASP HB3 1 63 SER H . . 4.240 3.764 2.652 4.209 . 0 0 "[ . 1 . 2]" 1
1139 1 63 SER H 1 63 SER HB2 . . 3.750 2.887 2.551 3.732 . 0 0 "[ . 1 . 2]" 1
1140 1 63 SER H 1 63 SER QB . . 3.200 2.682 2.472 3.153 . 0 0 "[ . 1 . 2]" 1
1141 1 63 SER H 1 63 SER HB3 . . 3.750 3.523 2.703 3.804 0.054 16 0 "[ . 1 . 2]" 1
1142 1 63 SER H 1 64 SER H . . 4.830 4.433 4.262 4.538 . 0 0 "[ . 1 . 2]" 1
1143 1 63 SER H 1 72 ILE MD . . 5.500 5.199 4.748 5.529 0.029 16 0 "[ . 1 . 2]" 1
1144 1 63 SER H 1 72 ILE HG13 . . 4.780 4.361 3.967 4.651 . 0 0 "[ . 1 . 2]" 1
1145 1 63 SER HA 1 64 SER H . . 2.790 2.185 2.104 2.360 . 0 0 "[ . 1 . 2]" 1
1146 1 63 SER HA 1 71 PHE H . . 5.340 4.682 4.382 4.989 . 0 0 "[ . 1 . 2]" 1
1147 1 63 SER HA 1 72 ILE H . . 5.500 4.633 4.468 4.737 . 0 0 "[ . 1 . 2]" 1
1148 1 63 SER HA 1 72 ILE HA . . 4.140 1.997 1.859 2.110 . 0 0 "[ . 1 . 2]" 1
1149 1 63 SER HA 1 72 ILE HB . . 4.520 3.676 3.313 3.995 . 0 0 "[ . 1 . 2]" 1
1150 1 63 SER HA 1 72 ILE MD . . 5.380 4.644 4.375 4.857 . 0 0 "[ . 1 . 2]" 1
1151 1 63 SER HA 1 72 ILE HG12 . . 5.500 4.584 4.267 4.764 . 0 0 "[ . 1 . 2]" 1
1152 1 63 SER HA 1 72 ILE HG13 . . 4.420 3.349 3.048 3.497 . 0 0 "[ . 1 . 2]" 1
1153 1 63 SER HA 1 73 THR H . . 3.640 2.998 2.437 3.293 . 0 0 "[ . 1 . 2]" 1
1154 1 63 SER QB 1 64 SER H . . 3.130 2.978 2.787 3.328 0.198 13 0 "[ . 1 . 2]" 1
1155 1 63 SER QB 1 71 PHE H . . 4.850 4.308 3.273 4.918 0.068 19 0 "[ . 1 . 2]" 1
1156 1 63 SER QB 1 72 ILE HA . . 4.640 3.247 2.407 3.661 . 0 0 "[ . 1 . 2]" 1
1157 1 63 SER HB2 1 64 SER H . . 3.770 3.736 2.899 3.985 0.215 17 0 "[ . 1 . 2]" 1
1158 1 63 SER HB2 1 70 ARG HE . . 5.500 2.676 1.793 4.885 . 0 0 "[ . 1 . 2]" 1
1159 1 63 SER HB2 1 72 ILE HA . . 5.500 4.284 2.924 4.845 . 0 0 "[ . 1 . 2]" 1
1160 1 63 SER HB3 1 64 SER H . . 3.770 3.262 2.863 3.997 0.227 6 0 "[ . 1 . 2]" 1
1161 1 63 SER HB3 1 70 ARG HE . . 5.500 2.884 2.022 4.240 . 0 0 "[ . 1 . 2]" 1
1162 1 63 SER HB3 1 72 ILE HA . . 5.500 3.464 2.452 4.777 . 0 0 "[ . 1 . 2]" 1
1163 1 64 SER H 1 64 SER QB . . 3.540 2.733 2.455 3.321 . 0 0 "[ . 1 . 2]" 1
1164 1 64 SER H 1 70 ARG QG . . 3.850 3.454 2.994 3.875 0.025 1 0 "[ . 1 . 2]" 1
1165 1 64 SER H 1 71 PHE H . . 3.310 3.069 2.683 3.258 . 0 0 "[ . 1 . 2]" 1
1166 1 64 SER H 1 71 PHE QD . . 4.670 4.193 3.837 4.443 . 0 0 "[ . 1 . 2]" 1
1167 1 64 SER H 1 72 ILE HA . . 4.320 3.258 2.872 3.601 . 0 0 "[ . 1 . 2]" 1
1168 1 64 SER H 1 72 ILE HB . . 5.460 5.101 4.709 5.512 0.052 11 0 "[ . 1 . 2]" 1
1169 1 64 SER H 1 72 ILE HG13 . . 5.500 5.350 5.021 5.545 0.045 19 0 "[ . 1 . 2]" 1
1170 1 64 SER H 1 73 THR H . . 5.460 4.313 3.922 5.072 . 0 0 "[ . 1 . 2]" 1
1171 1 64 SER HA 1 65 GLY H . . 2.800 2.301 2.133 2.633 . 0 0 "[ . 1 . 2]" 1
1172 1 64 SER QB 1 65 GLY H . . 3.520 3.030 1.996 3.550 0.030 8 0 "[ . 1 . 2]" 1
1173 1 64 SER HB2 1 65 GLY H . . 4.010 3.726 2.011 4.109 0.099 3 0 "[ . 1 . 2]" 1
1174 1 64 SER HB3 1 65 GLY H . . 4.010 3.365 2.527 3.946 . 0 0 "[ . 1 . 2]" 1
1175 1 65 GLY H 1 66 GLU H . . 4.500 4.426 4.070 4.529 0.029 9 0 "[ . 1 . 2]" 1
1176 1 65 GLY H 1 66 GLU QG . . 5.360 4.695 4.134 5.450 0.090 17 0 "[ . 1 . 2]" 1
1177 1 65 GLY H 1 71 PHE H . . 5.290 4.952 4.696 5.207 . 0 0 "[ . 1 . 2]" 1
1178 1 65 GLY QA 1 66 GLU H . . 2.840 2.256 2.108 2.312 . 0 0 "[ . 1 . 2]" 1
1179 1 65 GLY QA 1 71 PHE H . . 4.150 3.371 2.891 3.897 . 0 0 "[ . 1 . 2]" 1
1180 1 65 GLY HA2 1 66 GLU H . . 3.340 2.611 2.371 3.338 . 0 0 "[ . 1 . 2]" 1
1181 1 65 GLY HA3 1 66 GLU H . . 3.340 2.550 2.131 2.797 . 0 0 "[ . 1 . 2]" 1
1182 1 66 GLU H 1 66 GLU QB . . 3.140 2.538 2.287 2.762 . 0 0 "[ . 1 . 2]" 1
1183 1 66 GLU H 1 66 GLU QG . . 3.510 2.893 2.136 3.563 0.053 3 0 "[ . 1 . 2]" 1
1184 1 66 GLU H 1 69 ARG H . . 4.610 3.930 3.061 4.650 0.040 3 0 "[ . 1 . 2]" 1
1185 1 66 GLU H 1 69 ARG QB . . 4.400 2.807 1.800 3.676 . 0 0 "[ . 1 . 2]" 1
1186 1 66 GLU H 1 69 ARG QD . . 5.260 4.741 3.450 5.310 0.050 2 0 "[ . 1 . 2]" 1
1187 1 66 GLU H 1 70 ARG H . . 4.690 4.015 3.291 4.625 . 0 0 "[ . 1 . 2]" 1
1188 1 66 GLU H 1 70 ARG HA . . 4.320 3.563 2.659 4.296 . 0 0 "[ . 1 . 2]" 1
1189 1 66 GLU H 1 70 ARG QB . . 4.990 3.581 2.976 4.962 . 0 0 "[ . 1 . 2]" 1
1190 1 66 GLU HA 1 66 GLU QG . . 3.700 2.648 2.372 2.994 . 0 0 "[ . 1 . 2]" 1
1191 1 66 GLU HA 1 70 ARG H . . 5.500 4.970 3.904 5.575 0.075 17 0 "[ . 1 . 2]" 1
1192 1 66 GLU QB 1 70 ARG H . . 5.240 4.950 3.908 5.298 0.058 2 0 "[ . 1 . 2]" 1
1193 1 67 GLY QA 1 68 LYS QB . . 5.180 4.085 3.764 4.439 . 0 0 "[ . 1 . 2]" 1
1194 1 67 GLY QA 1 69 ARG H . . 3.870 3.519 3.077 4.004 0.134 18 0 "[ . 1 . 2]" 1
1195 1 67 GLY HA2 1 69 ARG H . . 4.560 4.412 3.837 4.638 0.078 10 0 "[ . 1 . 2]" 1
1196 1 67 GLY HA3 1 69 ARG H . . 4.560 3.748 3.142 4.525 . 0 0 "[ . 1 . 2]" 1
1197 1 68 LYS HA 1 68 LYS QB . . 2.490 2.331 2.170 2.437 . 0 0 "[ . 1 . 2]" 1
1198 1 68 LYS HA 1 68 LYS QD . . 4.680 3.210 1.871 4.492 . 0 0 "[ . 1 . 2]" 1
1199 1 68 LYS HA 1 68 LYS QG . . 3.370 2.870 2.332 3.472 0.102 1 0 "[ . 1 . 2]" 1
1200 1 69 ARG H 1 69 ARG HB2 . . 3.770 2.440 2.179 2.735 . 0 0 "[ . 1 . 2]" 1
1201 1 69 ARG H 1 69 ARG QB . . 2.960 2.385 2.156 2.664 . 0 0 "[ . 1 . 2]" 1
1202 1 69 ARG H 1 69 ARG HB3 . . 3.770 3.546 2.463 3.792 0.022 14 0 "[ . 1 . 2]" 1
1203 1 69 ARG H 1 69 ARG QD . . 4.630 4.245 3.982 4.756 0.126 18 0 "[ . 1 . 2]" 1
1204 1 69 ARG H 1 69 ARG QG . . 3.640 2.940 2.153 3.945 0.305 18 0 "[ . 1 . 2]" 1
1205 1 69 ARG H 1 70 ARG H . . 2.780 2.380 2.108 2.689 . 0 0 "[ . 1 . 2]" 1
1206 1 69 ARG H 1 70 ARG QB . . 4.750 3.948 3.592 4.253 . 0 0 "[ . 1 . 2]" 1
1207 1 69 ARG HA 1 69 ARG QD . . 4.300 3.613 1.926 4.223 . 0 0 "[ . 1 . 2]" 1
1208 1 69 ARG HA 1 69 ARG HG2 . . 3.510 2.550 2.309 3.173 . 0 0 "[ . 1 . 2]" 1
1209 1 69 ARG HA 1 69 ARG QG . . 2.960 2.423 2.212 2.758 . 0 0 "[ . 1 . 2]" 1
1210 1 69 ARG HA 1 69 ARG HG3 . . 3.510 3.162 2.428 3.703 0.193 14 0 "[ . 1 . 2]" 1
1211 1 69 ARG HA 1 70 ARG H . . 3.500 3.175 3.001 3.326 . 0 0 "[ . 1 . 2]" 1
1212 1 69 ARG QB 1 70 ARG H . . 3.570 3.496 3.156 3.726 0.156 18 0 "[ . 1 . 2]" 1
1213 1 69 ARG HB2 1 69 ARG QD . . 3.380 2.692 2.352 3.484 0.104 14 0 "[ . 1 . 2]" 1
1214 1 69 ARG HB2 1 70 ARG H . . 4.380 3.763 3.275 4.497 0.117 18 0 "[ . 1 . 2]" 1
1215 1 69 ARG HB3 1 69 ARG QD . . 3.380 2.469 2.220 3.004 . 0 0 "[ . 1 . 2]" 1
1216 1 69 ARG HB3 1 70 ARG H . . 4.380 4.216 3.900 4.398 0.018 16 0 "[ . 1 . 2]" 1
1217 1 70 ARG H 1 70 ARG HB2 . . 3.030 2.639 2.519 2.820 . 0 0 "[ . 1 . 2]" 1
1218 1 70 ARG H 1 70 ARG HB3 . . 3.030 2.535 2.412 2.683 . 0 0 "[ . 1 . 2]" 1
1219 1 70 ARG H 1 70 ARG HD2 . . 5.310 4.967 4.796 5.112 . 0 0 "[ . 1 . 2]" 1
1220 1 70 ARG H 1 70 ARG QD . . 4.660 4.432 4.333 4.528 . 0 0 "[ . 1 . 2]" 1
1221 1 70 ARG H 1 70 ARG HD3 . . 5.310 4.996 4.775 5.217 . 0 0 "[ . 1 . 2]" 1
1222 1 70 ARG H 1 70 ARG HG2 . . 4.660 4.464 4.372 4.542 . 0 0 "[ . 1 . 2]" 1
1223 1 70 ARG H 1 70 ARG HG3 . . 4.660 4.500 4.431 4.573 . 0 0 "[ . 1 . 2]" 1
1224 1 70 ARG H 1 71 PHE H . . 4.670 4.410 4.266 4.543 . 0 0 "[ . 1 . 2]" 1
1225 1 70 ARG HA 1 71 PHE QD . . 4.290 3.548 3.122 4.304 0.014 14 0 "[ . 1 . 2]" 1
1226 1 70 ARG QB 1 70 ARG QD . . 2.620 2.110 2.086 2.145 . 0 0 "[ . 1 . 2]" 1
1227 1 70 ARG QB 1 70 ARG HE . . 4.850 3.973 3.903 4.078 . 0 0 "[ . 1 . 2]" 1
1228 1 70 ARG QB 1 71 PHE H . . 3.790 3.785 3.697 3.827 0.037 20 0 "[ . 1 . 2]" 1
1229 1 70 ARG HB2 1 70 ARG HE . . 5.500 4.512 4.287 4.681 . 0 0 "[ . 1 . 2]" 1
1230 1 70 ARG HB2 1 71 PHE H . . 4.320 4.282 4.171 4.346 0.026 13 0 "[ . 1 . 2]" 1
1231 1 70 ARG HB3 1 70 ARG HE . . 5.500 4.418 4.276 4.543 . 0 0 "[ . 1 . 2]" 1
1232 1 70 ARG HB3 1 71 PHE H . . 4.320 4.219 4.105 4.306 . 0 0 "[ . 1 . 2]" 1
1233 1 70 ARG QD 1 71 PHE H . . 4.880 4.947 4.747 5.052 0.172 20 0 "[ . 1 . 2]" 1
1234 1 70 ARG QG 1 71 PHE H . . 3.330 2.932 2.704 3.069 . 0 0 "[ . 1 . 2]" 1
1235 1 70 ARG HG2 1 71 PHE H . . 3.870 3.365 3.107 3.642 . 0 0 "[ . 1 . 2]" 1
1236 1 70 ARG HG3 1 71 PHE H . . 3.870 3.241 2.904 3.521 . 0 0 "[ . 1 . 2]" 1
1237 1 71 PHE H 1 71 PHE QD . . 3.340 2.615 2.351 3.245 . 0 0 "[ . 1 . 2]" 1
1238 1 71 PHE H 1 71 PHE QE . . 4.460 4.092 3.962 4.347 . 0 0 "[ . 1 . 2]" 1
1239 1 71 PHE HA 1 71 PHE QD . . 3.770 3.738 3.716 3.749 . 0 0 "[ . 1 . 2]" 1
1240 1 71 PHE HA 1 72 ILE H . . 3.550 2.512 2.214 2.770 . 0 0 "[ . 1 . 2]" 1
1241 1 71 PHE HA 1 72 ILE MG . . 4.430 3.697 3.572 3.913 . 0 0 "[ . 1 . 2]" 1
1242 1 71 PHE QB 1 72 ILE H . . 3.640 2.312 1.826 2.958 . 0 0 "[ . 1 . 2]" 1
1243 1 71 PHE HB2 1 72 ILE H . . 4.440 2.338 1.834 3.040 . 0 0 "[ . 1 . 2]" 1
1244 1 71 PHE HB3 1 72 ILE H . . 4.440 3.723 3.396 4.047 . 0 0 "[ . 1 . 2]" 1
1245 1 71 PHE QD 1 72 ILE MG . . 5.500 4.406 3.937 4.902 . 0 0 "[ . 1 . 2]" 1
1246 1 71 PHE QE 1 73 THR MG . . 5.500 3.769 3.120 4.156 . 0 0 "[ . 1 . 2]" 1
1247 1 72 ILE H 1 72 ILE HB . . 3.850 3.112 2.812 3.281 . 0 0 "[ . 1 . 2]" 1
1248 1 72 ILE H 1 72 ILE MG . . 3.090 2.036 1.892 2.142 . 0 0 "[ . 1 . 2]" 1
1249 1 72 ILE H 1 73 THR H . . 4.590 4.420 4.335 4.532 . 0 0 "[ . 1 . 2]" 1
1250 1 72 ILE HA 1 72 ILE MD . . 4.440 3.814 3.746 3.857 . 0 0 "[ . 1 . 2]" 1
1251 1 72 ILE HA 1 72 ILE HG13 . . 3.770 2.526 2.436 2.596 . 0 0 "[ . 1 . 2]" 1
1252 1 72 ILE HA 1 73 THR H . . 3.410 2.167 2.128 2.217 . 0 0 "[ . 1 . 2]" 1
1253 1 72 ILE HB 1 72 ILE MD . . 3.370 2.440 2.388 2.491 . 0 0 "[ . 1 . 2]" 1
1254 1 72 ILE HB 1 73 THR H . . 4.060 4.049 3.983 4.104 0.044 4 0 "[ . 1 . 2]" 1
1255 1 72 ILE MD 1 72 ILE MG . . 3.030 1.917 1.865 1.960 . 0 0 "[ . 1 . 2]" 1
1256 1 72 ILE MD 1 73 THR H . . 4.260 4.128 3.961 4.238 . 0 0 "[ . 1 . 2]" 1
1257 1 72 ILE MD 1 74 VAL HA . . 5.500 4.759 4.566 4.925 . 0 0 "[ . 1 . 2]" 1
1258 1 72 ILE MD 1 74 VAL HB . . 5.500 5.525 5.393 5.595 0.095 14 0 "[ . 1 . 2]" 1
1259 1 72 ILE MD 1 74 VAL MG1 . . 4.960 4.706 4.508 4.900 . 0 0 "[ . 1 . 2]" 1
1260 1 72 ILE MD 1 74 VAL MG2 . . 4.650 2.934 2.780 3.036 . 0 0 "[ . 1 . 2]" 1
1261 1 72 ILE MD 2 1 DGP H5' . . 4.600 4.305 3.844 4.617 0.017 7 0 "[ . 1 . 2]" 1
1262 1 72 ILE HG12 1 72 ILE MG . . 3.420 2.410 2.371 2.448 . 0 0 "[ . 1 . 2]" 1
1263 1 72 ILE HG12 1 73 THR H . . 3.560 2.797 2.496 2.968 . 0 0 "[ . 1 . 2]" 1
1264 1 72 ILE HG12 1 74 VAL HA . . 5.500 4.430 4.224 4.595 . 0 0 "[ . 1 . 2]" 1
1265 1 72 ILE HG12 1 74 VAL MG2 . . 4.910 2.820 2.625 3.094 . 0 0 "[ . 1 . 2]" 1
1266 1 72 ILE HG13 1 73 THR H . . 3.290 2.715 2.571 2.862 . 0 0 "[ . 1 . 2]" 1
1267 1 72 ILE MG 1 73 THR H . . 4.430 3.952 3.815 4.054 . 0 0 "[ . 1 . 2]" 1
1268 1 72 ILE MG 1 74 VAL MG2 . . 4.400 3.452 3.146 3.772 . 0 0 "[ . 1 . 2]" 1
1269 1 72 ILE MG 2 1 DGP H5' . . 5.500 5.383 4.992 5.586 0.086 2 0 "[ . 1 . 2]" 1
1270 1 73 THR H 1 73 THR HB . . 3.230 2.707 2.634 2.767 . 0 0 "[ . 1 . 2]" 1
1271 1 73 THR H 1 74 VAL H . . 4.740 4.250 4.155 4.314 . 0 0 "[ . 1 . 2]" 1
1272 1 73 THR HA 1 73 THR MG . . 2.940 2.331 2.277 2.382 . 0 0 "[ . 1 . 2]" 1
1273 1 73 THR HA 1 74 VAL H . . 2.820 2.139 2.123 2.152 . 0 0 "[ . 1 . 2]" 1
1274 1 73 THR HA 1 74 VAL HB . . 4.780 4.679 4.565 4.721 . 0 0 "[ . 1 . 2]" 1
1275 1 73 THR HA 1 74 VAL MG1 . . 5.500 5.482 5.452 5.501 0.001 3 0 "[ . 1 . 2]" 1
1276 1 73 THR HA 1 74 VAL MG2 . . 4.310 3.626 3.489 3.737 . 0 0 "[ . 1 . 2]" 1
1277 1 73 THR HB 1 74 VAL H . . 4.310 4.205 4.084 4.283 . 0 0 "[ . 1 . 2]" 1
1278 1 73 THR MG 1 74 VAL H . . 3.210 2.879 2.621 3.061 . 0 0 "[ . 1 . 2]" 1
1279 1 73 THR MG 1 74 VAL HA . . 4.060 3.976 3.790 4.116 0.056 10 0 "[ . 1 . 2]" 1
1280 1 73 THR MG 1 75 SER HA . . 4.990 4.081 3.756 4.398 . 0 0 "[ . 1 . 2]" 1
1281 1 73 THR MG 1 75 SER QB . . 4.150 3.508 2.899 4.270 0.120 3 0 "[ . 1 . 2]" 1
1282 1 74 VAL H 1 74 VAL HB . . 3.410 2.576 2.536 2.610 . 0 0 "[ . 1 . 2]" 1
1283 1 74 VAL H 1 74 VAL MG1 . . 4.180 3.823 3.794 3.848 . 0 0 "[ . 1 . 2]" 1
1284 1 74 VAL H 1 74 VAL MG2 . . 3.420 2.367 2.210 2.560 . 0 0 "[ . 1 . 2]" 1
1285 1 74 VAL H 1 75 SER H . . 4.720 4.431 4.320 4.529 . 0 0 "[ . 1 . 2]" 1
1286 1 74 VAL HA 1 74 VAL MG1 . . 3.280 2.376 2.356 2.427 . 0 0 "[ . 1 . 2]" 1
1287 1 74 VAL HA 1 74 VAL MG2 . . 3.330 2.424 2.383 2.472 . 0 0 "[ . 1 . 2]" 1
1288 1 74 VAL HA 1 75 SER H . . 2.850 2.171 2.134 2.218 . 0 0 "[ . 1 . 2]" 1
1289 1 74 VAL HA 1 75 SER QB . . 5.340 4.229 3.946 4.718 . 0 0 "[ . 1 . 2]" 1
1290 1 74 VAL HB 1 75 SER H . . 5.190 4.151 4.014 4.276 . 0 0 "[ . 1 . 2]" 1
1291 1 74 VAL MG1 1 75 SER H . . 3.630 2.714 2.499 2.955 . 0 0 "[ . 1 . 2]" 1
1292 1 74 VAL MG1 1 75 SER HA . . 5.380 3.793 3.602 3.925 . 0 0 "[ . 1 . 2]" 1
1293 1 74 VAL MG1 1 76 LYS HA . . 5.500 4.348 4.059 4.798 . 0 0 "[ . 1 . 2]" 1
1294 1 74 VAL MG2 1 75 SER H . . 4.330 4.092 3.975 4.157 . 0 0 "[ . 1 . 2]" 1
1295 1 74 VAL MG2 1 75 SER HA . . 5.500 5.528 5.467 5.551 0.051 19 0 "[ . 1 . 2]" 1
1296 1 75 SER H 1 75 SER QB . . 3.630 2.646 2.440 3.088 . 0 0 "[ . 1 . 2]" 1
1297 1 75 SER H 1 76 LYS H . . 4.650 4.408 4.320 4.472 . 0 0 "[ . 1 . 2]" 1
1298 1 75 SER HA 1 76 LYS H . . 2.810 2.165 2.114 2.224 . 0 0 "[ . 1 . 2]" 1
1299 1 75 SER HA 1 76 LYS QB . . 4.330 4.351 4.292 4.408 0.078 7 0 "[ . 1 . 2]" 1
1300 1 75 SER HA 1 76 LYS QG . . 4.980 3.833 3.630 4.178 . 0 0 "[ . 1 . 2]" 1
1301 1 75 SER HB2 1 76 LYS H . . 4.330 3.844 2.888 4.253 . 0 0 "[ . 1 . 2]" 1
1302 1 75 SER HB3 1 76 LYS H . . 4.330 3.802 3.020 4.203 . 0 0 "[ . 1 . 2]" 1
1303 1 76 LYS H 1 76 LYS HB2 . . 3.630 2.380 2.314 2.454 . 0 0 "[ . 1 . 2]" 1
1304 1 76 LYS H 1 76 LYS QB . . 2.890 2.347 2.286 2.416 . 0 0 "[ . 1 . 2]" 1
1305 1 76 LYS H 1 76 LYS HB3 . . 3.630 3.582 3.560 3.607 . 0 0 "[ . 1 . 2]" 1
1306 1 76 LYS H 1 76 LYS QG . . 3.330 2.457 2.209 2.710 . 0 0 "[ . 1 . 2]" 1
1307 1 76 LYS H 1 77 ARG H . . 4.620 2.847 2.045 4.610 . 0 0 "[ . 1 . 2]" 1
1308 1 76 LYS H 1 77 ARG QG . . 5.100 4.612 3.863 5.210 0.110 10 0 "[ . 1 . 2]" 1
1309 1 76 LYS HA 1 76 LYS QD . . 4.910 4.096 3.526 4.230 . 0 0 "[ . 1 . 2]" 1
1310 1 76 LYS HA 1 76 LYS HG2 . . 3.700 2.530 2.302 2.699 . 0 0 "[ . 1 . 2]" 1
1311 1 76 LYS HA 1 76 LYS QG . . 3.230 2.393 2.269 2.455 . 0 0 "[ . 1 . 2]" 1
1312 1 76 LYS HA 1 76 LYS HG3 . . 3.700 3.005 2.751 3.429 . 0 0 "[ . 1 . 2]" 1
1313 1 76 LYS QB 1 76 LYS QG . . 2.360 2.080 2.050 2.088 . 0 0 "[ . 1 . 2]" 1
1314 1 76 LYS QB 1 77 ARG H . . 3.350 2.782 1.801 3.137 . 0 0 "[ . 1 . 2]" 1
1315 1 76 LYS QB 1 77 ARG HA . . 4.120 4.045 3.829 4.222 0.102 4 0 "[ . 1 . 2]" 1
1316 1 76 LYS HB2 1 77 ARG H . . 3.940 3.091 1.838 4.063 0.123 20 0 "[ . 1 . 2]" 1
1317 1 76 LYS HB3 1 77 ARG H . . 3.940 3.567 2.579 4.016 0.076 9 0 "[ . 1 . 2]" 1
1318 1 76 LYS HG2 1 77 ARG H . . 4.970 4.808 3.818 5.160 0.190 10 0 "[ . 1 . 2]" 1
1319 1 76 LYS HG3 1 77 ARG H . . 4.970 4.508 4.146 5.023 0.053 7 0 "[ . 1 . 2]" 1
1320 1 77 ARG H 1 77 ARG QB . . 3.600 2.418 2.170 2.888 . 0 0 "[ . 1 . 2]" 1
1321 1 77 ARG H 1 77 ARG QD . . 5.300 4.287 3.644 4.796 . 0 0 "[ . 1 . 2]" 1
1322 1 77 ARG H 1 77 ARG QG . . 4.170 3.036 2.543 3.922 . 0 0 "[ . 1 . 2]" 1
1323 1 77 ARG HA 1 77 ARG QD . . 3.130 2.392 1.937 3.363 0.233 4 0 "[ . 1 . 2]" 1
1324 1 77 ARG HA 1 77 ARG QG . . 2.710 2.691 2.224 2.961 0.251 18 0 "[ . 1 . 2]" 1
1325 1 77 ARG QB 1 77 ARG QD . . 2.900 2.540 2.121 2.926 0.026 5 0 "[ . 1 . 2]" 1
1326 1 77 ARG HB2 1 77 ARG QD . . 3.640 3.434 3.204 3.541 . 0 0 "[ . 1 . 2]" 1
1327 1 77 ARG HB3 1 77 ARG QD . . 3.640 2.634 2.152 3.121 . 0 0 "[ . 1 . 2]" 1
1328 2 1 DGP H1' 2 1 DGP H2' . . 3.050 3.019 2.877 3.043 . 0 0 "[ . 1 . 2]" 1
1329 2 1 DGP H1' 2 1 DGP H2'' . . 2.550 2.345 2.291 2.377 . 0 0 "[ . 1 . 2]" 1
1330 2 1 DGP H1' 2 1 DGP H3' . . 3.880 3.935 3.892 4.013 0.133 8 0 "[ . 1 . 2]" 1
1331 2 1 DGP H1' 2 1 DGP H4' . . 3.760 3.341 2.947 3.697 . 0 0 "[ . 1 . 2]" 1
1332 2 1 DGP H1' 2 1 DGP H5' . . 4.380 4.147 3.888 4.357 . 0 0 "[ . 1 . 2]" 1
1333 2 1 DGP H2' 2 1 DGP H3' . . 2.400 2.349 2.292 2.385 . 0 0 "[ . 1 . 2]" 1
1334 2 1 DGP H2' 2 1 DGP H5' . . 4.020 3.578 2.563 4.112 0.092 12 0 "[ . 1 . 2]" 1
1335 2 1 DGP H2' 2 1 DGP H8 . . 2.550 2.348 2.215 2.540 . 0 0 "[ . 1 . 2]" 1
1336 2 1 DGP H2'' 2 1 DGP H3' . . 2.760 2.782 2.715 2.977 0.217 12 0 "[ . 1 . 2]" 1
1337 2 1 DGP H3' 2 1 DGP H5' . . 3.100 2.683 2.218 3.051 . 0 0 "[ . 1 . 2]" 1
1338 2 1 DGP H4' 2 1 DGP H5' . . 2.400 2.180 2.115 2.357 . 0 0 "[ . 1 . 2]" 1
1339 2 1 DGP H4' 2 1 DGP H8 . . 5.260 4.783 4.513 4.940 . 0 0 "[ . 1 . 2]" 1
1340 2 1 DGP H5' 2 1 DGP H8 . . 3.680 3.384 2.073 3.746 0.066 1 0 "[ . 1 . 2]" 1
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