NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394187 |
1r2u   |
5975 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1r2u
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 936
_Distance_constraint_stats_list.Viol_count 2560
_Distance_constraint_stats_list.Viol_total 3292.593
_Distance_constraint_stats_list.Viol_max 0.203
_Distance_constraint_stats_list.Viol_rms 0.0106
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0322
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASN 0.971 0.083 15 0 "[ . 1 . 2 . 3 . 4]"
1 3 ASP 0.927 0.098 23 0 "[ . 1 . 2 . 3 . 4]"
1 4 ILE 0.222 0.053 6 0 "[ . 1 . 2 . 3 . 4]"
1 5 TYR 3.146 0.120 5 0 "[ . 1 . 2 . 3 . 4]"
1 6 LYS 0.074 0.021 17 0 "[ . 1 . 2 . 3 . 4]"
1 7 ALA 1.344 0.098 23 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 0.782 0.080 40 0 "[ . 1 . 2 . 3 . 4]"
1 9 VAL 1.825 0.080 40 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLU 0.411 0.072 22 0 "[ . 1 . 2 . 3 . 4]"
1 11 GLN 3.444 0.084 2 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 4.551 0.084 2 0 "[ . 1 . 2 . 3 . 4]"
1 13 THR 1.359 0.065 16 0 "[ . 1 . 2 . 3 . 4]"
1 14 ASP 0.009 0.007 39 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 2.909 0.134 24 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLN 2.975 0.134 24 0 "[ . 1 . 2 . 3 . 4]"
1 17 LYS 0.298 0.059 37 0 "[ . 1 . 2 . 3 . 4]"
1 18 ASN 0.555 0.068 26 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 0.759 0.068 26 0 "[ . 1 . 2 . 3 . 4]"
1 20 PHE 1.863 0.088 37 0 "[ . 1 . 2 . 3 . 4]"
1 21 LYS 0.808 0.051 32 0 "[ . 1 . 2 . 3 . 4]"
1 22 ALA 0.243 0.037 32 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 1.979 0.058 14 0 "[ . 1 . 2 . 3 . 4]"
1 24 PHE 0.017 0.017 26 0 "[ . 1 . 2 . 3 . 4]"
1 25 ASP 0.828 0.085 38 0 "[ . 1 . 2 . 3 . 4]"
1 26 ILE 2.119 0.075 34 0 "[ . 1 . 2 . 3 . 4]"
1 27 PHE 0.915 0.078 6 0 "[ . 1 . 2 . 3 . 4]"
1 28 ILE 1.862 0.058 12 0 "[ . 1 . 2 . 3 . 4]"
1 29 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 31 ALA 2.224 0.058 12 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLU 2.804 0.045 2 0 "[ . 1 . 2 . 3 . 4]"
1 33 ASP 1.368 0.045 2 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 0.262 0.034 18 0 "[ . 1 . 2 . 3 . 4]"
1 35 CYS 2.235 0.077 3 0 "[ . 1 . 2 . 3 . 4]"
1 36 ILE 4.250 0.081 35 0 "[ . 1 . 2 . 3 . 4]"
1 37 SER 2.803 0.088 21 0 "[ . 1 . 2 . 3 . 4]"
1 38 THR 2.679 0.088 21 0 "[ . 1 . 2 . 3 . 4]"
1 39 LYS 0.027 0.017 33 0 "[ . 1 . 2 . 3 . 4]"
1 40 GLU 0.644 0.090 20 0 "[ . 1 . 2 . 3 . 4]"
1 41 LEU 1.598 0.105 20 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 1.209 0.105 20 0 "[ . 1 . 2 . 3 . 4]"
1 43 LYS 1.013 0.063 27 0 "[ . 1 . 2 . 3 . 4]"
1 44 VAL 3.108 0.104 30 0 "[ . 1 . 2 . 3 . 4]"
1 45 MET 2.691 0.065 39 0 "[ . 1 . 2 . 3 . 4]"
1 46 ARG 3.893 0.072 36 0 "[ . 1 . 2 . 3 . 4]"
1 47 MET 0.660 0.046 29 0 "[ . 1 . 2 . 3 . 4]"
1 48 LEU 0.913 0.060 17 0 "[ . 1 . 2 . 3 . 4]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLN 0.120 0.042 26 0 "[ . 1 . 2 . 3 . 4]"
1 51 ASN 0.095 0.033 8 0 "[ . 1 . 2 . 3 . 4]"
1 52 PRO 2.282 0.097 30 0 "[ . 1 . 2 . 3 . 4]"
1 53 THR 6.694 0.199 36 0 "[ . 1 . 2 . 3 . 4]"
1 54 PRO 7.116 0.199 36 0 "[ . 1 . 2 . 3 . 4]"
1 55 GLU 0.717 0.023 18 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 1.153 0.077 35 0 "[ . 1 . 2 . 3 . 4]"
1 57 LEU 5.702 0.097 30 0 "[ . 1 . 2 . 3 . 4]"
1 58 GLN 0.932 0.044 9 0 "[ . 1 . 2 . 3 . 4]"
1 59 GLU 1.140 0.081 24 0 "[ . 1 . 2 . 3 . 4]"
1 60 MET 0.222 0.048 21 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 3.291 0.073 34 0 "[ . 1 . 2 . 3 . 4]"
1 62 ASP 2.368 0.093 39 0 "[ . 1 . 2 . 3 . 4]"
1 63 GLU 2.013 0.093 39 0 "[ . 1 . 2 . 3 . 4]"
1 64 VAL 1.371 0.203 35 0 "[ . 1 . 2 . 3 . 4]"
1 65 ASP 0.867 0.066 40 0 "[ . 1 . 2 . 3 . 4]"
1 66 GLU 0.723 0.050 19 0 "[ . 1 . 2 . 3 . 4]"
1 67 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 68 GLY 1.701 0.084 34 0 "[ . 1 . 2 . 3 . 4]"
1 69 SER 1.850 0.084 34 0 "[ . 1 . 2 . 3 . 4]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 THR 0.953 0.058 10 0 "[ . 1 . 2 . 3 . 4]"
1 72 VAL 2.549 0.081 35 0 "[ . 1 . 2 . 3 . 4]"
1 73 ASP 0.903 0.052 9 0 "[ . 1 . 2 . 3 . 4]"
1 74 PHE 1.174 0.056 40 0 "[ . 1 . 2 . 3 . 4]"
1 75 ASP 1.443 0.109 33 0 "[ . 1 . 2 . 3 . 4]"
1 76 GLU 1.613 0.172 39 0 "[ . 1 . 2 . 3 . 4]"
1 77 PHE 2.277 0.172 39 0 "[ . 1 . 2 . 3 . 4]"
1 78 LEU 1.121 0.084 17 0 "[ . 1 . 2 . 3 . 4]"
1 79 VAL 5.585 0.157 12 0 "[ . 1 . 2 . 3 . 4]"
1 80 MET 6.548 0.203 35 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 1.250 0.076 40 0 "[ . 1 . 2 . 3 . 4]"
1 82 VAL 4.231 0.157 12 0 "[ . 1 . 2 . 3 . 4]"
1 83 ARG 0.929 0.074 25 0 "[ . 1 . 2 . 3 . 4]"
1 84 CYS 0.430 0.062 1 0 "[ . 1 . 2 . 3 . 4]"
1 85 MET 0.898 0.145 19 0 "[ . 1 . 2 . 3 . 4]"
1 86 LYS 0.084 0.044 30 0 "[ . 1 . 2 . 3 . 4]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 88 ASP 0.015 0.015 6 0 "[ . 1 . 2 . 3 . 4]"
1 89 SER 0.015 0.015 6 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASN HA 1 2 ASN HD21 3.400 . 3.400 2.355 1.976 2.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 2 ASN HA 1 2 ASN HD22 3.400 . 3.400 3.416 3.310 3.483 0.083 15 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 2 ASN QB 1 3 ASP H 5.000 . 5.000 3.195 2.057 3.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 2 ASN QB 1 4 ILE H 5.000 . 5.000 3.211 2.254 4.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 2 ASN QB 1 5 TYR H 5.000 . 5.000 3.505 2.175 4.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 2 ASN QB 1 5 TYR QD 3.400 . 3.400 2.602 2.069 2.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 3 ASP H 1 3 ASP HA 2.436 . 3.172 2.930 2.295 2.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 3 ASP H 1 3 ASP QB 2.308 . 3.416 2.592 2.285 3.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 3 ASP H 1 4 ILE H 2.786 . 3.872 2.252 1.955 2.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 3 ASP HA 1 4 ILE H 2.550 . 3.500 3.287 3.098 3.553 0.053 6 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 3 ASP HA 1 5 TYR H 2.950 . 4.200 3.755 3.535 4.221 0.021 6 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 3 ASP HA 1 6 LYS H 2.710 . 3.720 3.358 3.127 3.729 0.009 6 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 3 ASP HA 1 7 ALA H 3.133 . 4.566 4.496 4.145 4.664 0.098 23 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 3 ASP QB 1 4 ILE H 2.546 . 4.392 3.498 2.539 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 4 ILE H 1 4 ILE HA 2.413 . 3.126 2.888 2.823 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 4 ILE H 1 4 ILE HB 2.263 . 3.726 3.663 3.634 3.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 4 ILE H 1 4 ILE MD 2.408 . 5.000 2.691 1.785 3.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 4 ILE H 1 4 ILE QG 2.408 . 3.516 2.650 1.958 3.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 4 ILE H 1 4 ILE MG 2.400 . 3.100 2.097 1.899 2.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 4 ILE H 1 5 TYR H 2.348 . 2.996 2.419 2.270 2.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 4 ILE H 1 5 TYR QD 5.000 . 5.000 4.016 3.361 4.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 4 ILE H 1 5 TYR QE 5.000 . 5.300 4.770 4.732 4.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 4 ILE HA 1 4 ILE HB 2.800 . 2.800 2.389 2.347 2.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 4 ILE HA 1 5 TYR H 2.595 . 3.490 3.480 3.454 3.500 0.010 26 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 4 ILE HA 1 7 ALA H 2.865 . 4.030 3.201 2.924 3.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 4 ILE HB 1 4 ILE QG 2.800 . 2.800 2.332 2.188 2.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 4 ILE HB 1 5 TYR H 2.410 . 4.320 4.096 3.951 4.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 4 ILE MD 1 5 TYR H 5.000 . 5.000 2.325 2.025 2.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 4 ILE MD 1 5 TYR QE 5.000 . 5.000 2.611 2.121 3.042 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 4 ILE MD 1 6 LYS H 2.495 . 5.510 4.128 4.085 4.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 4 ILE QG 1 5 TYR H 2.609 . 3.518 2.395 2.214 2.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 4 ILE QG 1 6 LYS H 2.954 . 5.100 4.583 4.543 4.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 4 ILE QG 1 85 MET H 5.000 . 5.400 4.833 4.072 4.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 5 TYR H 1 5 TYR HA 2.412 . 3.124 2.854 2.824 2.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 5 TYR H 1 5 TYR HB2 2.493 . 3.586 2.577 2.384 2.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 5 TYR H 1 5 TYR HB3 2.493 . 3.586 3.609 3.594 3.625 0.039 31 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 5 TYR H 1 5 TYR QD 2.410 . 4.120 2.680 2.008 3.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 5 TYR H 1 5 TYR QE 2.960 . 5.220 4.193 4.036 4.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 5 TYR H 1 6 LYS H 2.309 . 2.918 2.508 2.456 2.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 5 TYR H 1 7 ALA H 2.840 . 3.980 3.979 3.880 4.027 0.047 17 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 5 TYR HA 1 5 TYR QD 3.400 . 4.300 2.360 2.090 2.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 5 TYR HA 1 5 TYR QE 5.000 . 5.000 4.458 4.367 4.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 5 TYR HA 1 6 LYS H 2.768 . 3.836 3.507 3.484 3.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 5 TYR HA 1 7 ALA H 3.105 . 4.510 4.473 4.339 4.539 0.029 22 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 5 TYR HA 1 8 ALA H 2.721 . 3.742 3.466 3.328 3.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 5 TYR HA 1 9 VAL H 5.000 . 5.000 4.012 3.613 4.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 5 TYR QB 1 6 LYS QE 2.800 . 2.800 2.219 2.077 2.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 5 TYR HB2 1 6 LYS H 2.841 . 4.182 2.756 2.633 2.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 5 TYR HB3 1 6 LYS H 2.841 . 4.182 3.860 3.711 4.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 5 TYR QD 1 6 LYS H 3.011 . 4.823 4.135 3.979 4.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 5 TYR QD 1 8 ALA MB 5.000 . 5.300 3.958 3.773 4.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 5 TYR QD 1 79 VAL QG 5.000 . 5.000 3.159 2.328 3.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 5 TYR QD 1 82 VAL QG 5.000 . 5.000 1.928 1.680 2.667 0.120 5 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 5 TYR QE 1 79 VAL QG 5.000 . 5.000 2.807 2.069 3.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 5 TYR QE 1 82 VAL QG 5.000 . 5.000 2.342 1.823 3.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 5 TYR QE 1 83 ARG HA 5.000 . 5.000 3.481 1.951 4.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 6 LYS H 1 6 LYS HA 2.410 . 3.120 2.891 2.859 2.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 6 LYS H 1 6 LYS QB 2.227 . 2.954 2.640 2.627 2.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 6 LYS H 1 6 LYS QE 2.495 . 5.010 3.288 3.037 3.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 6 LYS H 1 6 LYS QG 2.498 . 3.495 2.060 2.008 2.118 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 6 LYS H 1 8 ALA H 2.826 . 3.952 3.747 3.612 3.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 6 LYS HA 1 6 LYS QD 5.000 . 5.000 1.922 1.810 1.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 6 LYS HA 1 7 ALA H 2.720 . 3.740 3.521 3.509 3.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 6 LYS HA 1 8 ALA H 5.000 . 5.000 4.179 4.001 4.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 6 LYS HA 1 9 VAL H 2.652 . 3.604 3.417 3.265 3.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 6 LYS HA 1 10 GLU H 2.471 . 5.000 4.789 4.259 5.021 0.021 17 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 6 LYS QB 1 7 ALA H 2.402 . 3.504 2.588 2.505 2.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 6 LYS QD 1 7 ALA H 3.127 . 4.754 4.312 4.298 4.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 6 LYS QD 1 9 VAL H 5.000 . 5.200 4.671 4.640 4.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 6 LYS QG 1 7 ALA H 2.772 . 4.144 3.706 3.663 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 7 ALA H 1 7 ALA HA 2.408 . 3.116 2.870 2.847 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 7 ALA H 1 7 ALA MB 2.147 . 2.594 2.176 2.171 2.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 7 ALA H 1 8 ALA H 2.446 . 3.192 2.502 2.441 2.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 7 ALA HA 1 10 GLU H 5.000 . 5.200 4.017 3.771 4.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 7 ALA MB 1 8 ALA H 2.412 . 3.424 2.809 2.632 2.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 8 ALA H 1 8 ALA HA 2.406 . 3.112 2.895 2.835 2.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 8 ALA H 1 8 ALA MB 2.213 . 2.726 2.230 2.108 2.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 8 ALA H 1 9 VAL H 2.416 . 3.132 2.425 2.365 2.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 8 ALA H 1 9 VAL HB 3.087 . 4.474 4.486 4.346 4.554 0.080 40 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 8 ALA H 1 10 GLU H 2.757 . 4.814 4.205 3.844 4.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 8 ALA H 1 82 VAL QG 2.913 . 5.000 3.726 3.577 3.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 8 ALA HA 1 9 VAL H 2.635 . 3.570 3.534 3.480 3.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 8 ALA HA 1 11 GLN H 2.562 . 3.424 3.246 3.105 3.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 8 ALA MB 1 9 VAL H 2.364 . 3.528 2.757 2.564 2.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 8 ALA MB 1 11 GLN H 5.000 . 5.100 4.234 4.101 4.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 9 VAL H 1 9 VAL HA 2.411 . 3.122 2.798 2.756 2.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 9 VAL H 1 9 VAL HB 2.169 . 2.638 2.317 2.236 2.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 9 VAL H 1 9 VAL MG1 2.629 . 4.458 2.857 2.399 3.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 9 VAL H 1 9 VAL MG2 2.629 . 4.458 3.406 2.418 3.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 9 VAL H 1 10 GLU H 2.380 . 3.060 2.774 2.665 2.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 9 VAL H 1 11 GLN H 3.068 . 4.436 4.057 3.887 4.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 9 VAL HA 1 9 VAL MG1 3.400 . 3.800 3.026 2.513 3.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 9 VAL HA 1 10 GLU H 2.777 . 3.854 3.527 3.471 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 9 VAL HA 1 11 GLN H 2.831 . 3.962 3.958 3.820 4.023 0.061 40 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 9 VAL HA 1 12 LEU H 2.617 . 3.534 3.441 3.165 3.610 0.076 30 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 9 VAL QG 1 10 GLU H 2.574 . 3.748 2.235 1.904 2.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 9 VAL QG 1 10 GLU HA 5.000 . 5.000 3.056 2.952 3.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 10 GLU H 1 10 GLU HA 2.410 . 3.120 2.867 2.815 2.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 10 GLU H 1 10 GLU QB 2.191 . 2.682 2.330 2.211 2.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 10 GLU H 1 10 GLU QG 2.472 . 3.244 2.524 2.093 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 10 GLU H 1 11 GLN H 2.374 . 3.048 2.537 2.394 2.684 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 10 GLU H 1 11 GLN HA 2.471 . 5.200 5.157 5.016 5.272 0.072 22 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 10 GLU H 1 12 LEU H 5.000 . 5.000 4.194 3.990 4.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 10 GLU HA 1 10 GLU QG 3.400 . 3.700 2.435 2.100 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 10 GLU HA 1 11 GLN H 2.625 . 3.550 3.464 3.337 3.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 10 GLU HA 1 12 LEU H 2.855 . 5.010 4.482 4.123 4.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 10 GLU QB 1 11 GLN H 2.399 . 4.398 3.079 2.847 3.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 11 GLN H 1 11 GLN HA 2.409 . 3.118 2.909 2.884 2.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 11 GLN H 1 11 GLN HB2 2.473 . 3.646 2.549 2.442 2.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 11 GLN H 1 11 GLN HB3 2.473 . 3.646 3.650 3.628 3.726 0.080 30 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 11 GLN H 1 11 GLN QE 2.989 . 4.478 3.726 3.142 4.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 11 GLN H 1 11 GLN QG 2.394 . 3.088 2.254 2.061 2.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 11 GLN H 1 12 LEU QD 2.844 . 5.000 3.724 3.623 3.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 11 GLN HA 1 11 GLN QB 2.800 . 2.800 2.341 2.274 2.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 11 GLN HA 1 12 LEU H 2.587 . 3.474 3.525 3.468 3.558 0.084 2 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 11 GLN HB2 1 12 LEU H 2.770 . 4.040 2.719 2.397 3.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 11 GLN HB3 1 12 LEU H 2.770 . 4.040 3.819 3.546 4.051 0.011 30 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 11 GLN QG 1 12 LEU H 2.968 . 4.436 3.943 3.736 4.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 12 LEU H 1 12 LEU HA 2.408 . 3.116 2.840 2.730 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 12 LEU H 1 12 LEU HB2 2.482 . 3.564 2.834 2.408 3.607 0.043 2 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 12 LEU H 1 12 LEU HB3 2.482 . 3.564 3.440 2.722 3.635 0.071 9 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 12 LEU H 1 12 LEU QD 2.493 . 3.386 2.488 2.330 2.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 12 LEU H 1 12 LEU HG 2.168 . 2.636 2.292 1.891 2.686 0.050 37 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 12 LEU H 1 13 THR H 3.100 . 4.600 4.567 4.332 4.648 0.048 30 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 12 LEU HA 1 12 LEU QB 2.800 . 2.800 2.287 2.150 2.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 12 LEU HA 1 13 THR H 2.683 . 3.666 2.293 2.109 2.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 12 LEU QB 1 13 THR H 3.350 . 5.000 2.717 2.007 3.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 12 LEU QD 1 13 THR H 3.350 . 5.000 3.530 2.855 3.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 12 LEU MD2 1 16 GLN QE 5.000 . 5.000 2.773 1.874 3.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 13 THR H 1 13 THR HB 3.350 . 5.000 3.557 3.483 3.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 13 THR H 1 13 THR HG1 5.000 . 5.000 2.864 2.216 3.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 13 THR H 1 13 THR MG 2.785 . 4.070 3.299 3.057 3.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 13 THR H 1 15 GLU H 3.350 . 5.000 4.770 4.416 4.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 13 THR H 1 16 GLN H 3.350 . 5.000 3.515 2.946 3.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 13 THR H 1 16 GLN QB 2.800 . 3.200 2.686 1.958 2.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 13 THR H 1 17 LYS H 3.350 . 5.000 4.626 3.770 5.039 0.039 27 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 13 THR HA 1 13 THR HB 2.800 . 2.800 2.687 2.670 2.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 13 THR HA 1 13 THR MG 2.800 . 2.800 2.147 2.001 2.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 13 THR HA 1 14 ASP H 2.173 . 2.646 2.446 2.362 2.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 13 THR HA 1 15 GLU H 2.945 . 4.190 4.211 4.177 4.255 0.065 16 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 13 THR HB 1 14 ASP H 2.226 . 2.752 2.348 2.095 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 13 THR HB 1 15 GLU H 2.389 . 3.078 2.253 2.225 2.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 13 THR HB 1 16 GLN H 2.750 . 3.800 3.384 3.056 3.805 0.005 34 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 13 THR HG1 1 15 GLU H 2.909 . 4.118 3.314 2.800 3.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 13 THR HG1 1 16 GLN H 2.640 . 3.580 2.689 2.209 3.590 0.010 31 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 13 THR MG 1 14 ASP H 2.691 . 3.682 3.022 2.935 3.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 13 THR MG 1 15 GLU H 2.977 . 4.654 3.910 3.867 3.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 14 ASP H 1 14 ASP HA 2.408 . 3.116 2.837 2.811 2.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 14 ASP H 1 14 ASP QB 2.233 . 2.766 2.306 2.109 2.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 14 ASP H 1 15 GLU H 2.540 . 3.380 2.578 2.494 2.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 14 ASP H 1 15 GLU QB 5.000 . 5.100 4.509 4.354 4.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 14 ASP H 1 16 GLN H 3.106 . 4.511 4.321 4.104 4.518 0.007 39 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 14 ASP HA 1 15 GLU H 2.780 . 3.860 3.508 3.495 3.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 14 ASP HA 1 17 LYS H 2.618 . 3.936 3.452 3.294 3.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 14 ASP QB 1 15 GLU H 2.385 . 3.070 2.765 2.740 2.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 15 GLU H 1 15 GLU HA 2.406 . 3.113 2.821 2.793 2.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 15 GLU H 1 15 GLU HB2 2.477 . 3.554 2.627 2.170 3.590 0.036 38 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 15 GLU H 1 15 GLU HB3 2.477 . 3.554 3.283 2.428 3.584 0.030 25 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 15 GLU H 1 15 GLU QG 2.651 . 3.602 2.565 2.144 3.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 15 GLU H 1 16 GLN H 2.423 . 3.146 2.714 2.561 2.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 15 GLU H 1 18 ASN QB 5.000 . 5.000 4.457 4.287 4.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 15 GLU HA 1 16 GLN H 2.686 . 3.672 3.559 3.510 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 15 GLU HA 1 18 ASN H 2.638 . 3.576 3.320 3.104 3.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 15 GLU HA 1 18 ASN QD 5.000 . 5.000 3.132 2.080 4.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 15 GLU HA 1 19 GLU H 3.051 . 4.402 4.130 3.932 4.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 15 GLU HB2 1 16 GLN H 2.526 . 3.752 2.982 2.501 3.847 0.095 24 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 15 GLU HB3 1 16 GLN H 2.526 . 3.752 3.508 3.091 3.886 0.134 24 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 16 GLN H 1 16 GLN HA 2.410 . 3.120 2.828 2.811 2.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 16 GLN H 1 16 GLN QB 2.142 . 3.184 2.293 2.190 2.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 16 GLN H 1 16 GLN QG 2.142 . 3.184 2.633 2.176 2.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 16 GLN H 1 17 LYS H 2.310 . 2.920 2.705 2.609 2.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 16 GLN HA 1 17 LYS H 2.731 . 3.762 3.550 3.514 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 16 GLN HA 1 19 GLU H 2.692 . 3.684 3.584 3.240 3.748 0.064 30 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 16 GLN HA 1 20 PHE H 2.913 . 4.126 4.158 4.066 4.214 0.088 37 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 16 GLN QB 1 16 GLN HE22 3.400 . 5.000 3.619 3.197 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 16 GLN QB 1 17 LYS H 2.389 . 3.978 2.879 2.359 3.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 17 LYS H 1 17 LYS HA 2.409 . 3.118 2.863 2.811 2.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 17 LYS H 1 17 LYS QB 2.182 . 2.964 2.181 2.128 2.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 17 LYS H 1 17 LYS QD 2.335 . 2.970 2.457 2.132 2.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 17 LYS H 1 17 LYS QG 2.672 . 4.100 3.424 2.581 3.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 17 LYS HA 1 17 LYS QB 2.800 . 2.800 2.496 2.416 2.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 17 LYS HA 1 17 LYS QD 5.000 . 5.000 3.225 2.743 3.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 17 LYS HA 1 19 GLU H 3.122 . 4.543 4.397 4.239 4.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 17 LYS HA 1 20 PHE H 2.635 . 3.570 3.359 3.218 3.629 0.059 37 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 17 LYS HA 1 20 PHE QD 2.800 . 5.000 3.622 2.355 3.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 17 LYS HA 1 74 PHE HZ 5.000 . 5.000 3.740 2.647 4.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 17 LYS QG 1 20 PHE QD 5.000 . 5.000 3.972 3.593 4.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 18 ASN H 1 18 ASN HA 2.411 . 3.122 2.840 2.819 2.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 18 ASN H 1 18 ASN HB2 2.488 . 3.476 2.340 2.087 3.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 18 ASN H 1 18 ASN HB3 2.488 . 3.476 3.140 2.086 3.504 0.028 27 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 18 ASN H 1 18 ASN QD 2.856 . 4.012 3.160 2.488 3.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 18 ASN H 1 19 GLU H 2.252 . 2.804 2.631 2.518 2.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 18 ASN HA 1 19 GLU H 2.799 . 3.898 3.555 3.535 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 18 ASN HA 1 21 LYS H 2.539 . 3.678 3.606 3.347 3.706 0.028 7 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 18 ASN HA 1 22 ALA H 3.202 . 4.704 4.105 3.463 4.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 18 ASN QB 1 19 GLU QG 5.000 . 5.000 3.285 2.866 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 18 ASN HB2 1 18 ASN HD22 3.400 . 5.000 3.665 3.508 4.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 18 ASN HB2 1 19 GLU H 2.669 . 4.038 3.165 2.686 4.106 0.068 26 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 18 ASN HB3 1 19 GLU H 2.669 . 4.038 3.033 2.639 3.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 19 GLU H 1 19 GLU HA 2.408 . 3.116 2.856 2.816 2.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 19 GLU H 1 19 GLU QB 2.279 . 2.858 2.500 2.438 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 19 GLU H 1 19 GLU HG2 2.742 . 3.984 2.652 2.062 3.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 19 GLU H 1 19 GLU HG3 2.742 . 3.984 2.786 2.018 3.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 19 GLU H 1 20 PHE H 2.257 . 2.814 2.578 2.470 2.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 19 GLU H 1 21 LYS H 2.898 . 4.096 4.054 3.897 4.131 0.035 5 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 19 GLU HA 1 21 LYS H 5.000 . 5.000 4.458 4.222 4.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 19 GLU QB 1 20 PHE H 2.408 . 3.516 2.446 2.217 2.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 19 GLU QB 1 20 PHE QE 5.000 . 5.000 3.984 3.945 4.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 19 GLU QG 1 20 PHE H 2.953 . 4.306 3.881 3.846 3.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 20 PHE H 1 20 PHE HA 2.412 . 3.124 2.823 2.798 2.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 20 PHE H 1 20 PHE QB 2.408 . 5.000 2.262 2.195 2.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 20 PHE H 1 20 PHE QD 2.462 . 3.224 2.560 2.268 2.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 20 PHE H 1 21 LYS H 2.357 . 3.015 2.703 2.600 2.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 20 PHE H 1 22 ALA H 5.000 . 5.000 4.295 4.113 4.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 20 PHE H 1 48 LEU QD 5.000 . 5.000 3.556 3.077 3.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 20 PHE H 1 77 PHE QE 2.553 . 4.906 4.397 4.368 4.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 20 PHE HA 1 20 PHE QD 2.800 . 4.100 2.136 1.798 2.614 0.002 32 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 20 PHE HA 1 20 PHE QE 5.000 . 5.000 4.200 4.099 4.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 20 PHE HA 1 21 LYS H 2.836 . 3.972 3.554 3.530 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 20 PHE HA 1 23 ALA H 2.837 . 3.974 3.591 3.419 3.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 20 PHE HA 1 23 ALA MB 5.000 . 5.000 2.482 2.192 2.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 20 PHE HA 1 48 LEU QD 5.000 . 5.000 2.645 2.206 2.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 20 PHE HA 1 77 PHE QE 5.000 . 5.000 1.885 1.736 1.990 0.064 26 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 20 PHE QB 1 21 LYS H 2.431 . 4.162 2.626 2.540 2.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 20 PHE QB 1 74 PHE HZ 3.400 . 3.400 2.657 2.224 3.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 20 PHE QB 1 77 PHE QE 3.400 . 3.400 2.343 2.135 2.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 20 PHE HB2 1 77 PHE QE 5.000 . 5.000 3.649 3.556 3.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 20 PHE HB2 1 78 LEU QD 5.000 . 5.000 2.643 1.784 3.219 0.016 37 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 20 PHE HB3 1 77 PHE QE 5.000 . 5.000 2.372 2.151 2.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 20 PHE HB3 1 78 LEU QD 5.000 . 5.000 2.464 2.238 2.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 20 PHE QD 1 23 ALA MB 5.000 . 5.000 3.708 3.505 3.757 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 20 PHE QD 1 48 LEU MD1 5.000 . 5.000 2.632 1.990 3.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 20 PHE QD 1 48 LEU MD2 5.000 . 5.000 2.393 1.884 3.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 20 PHE QE 1 48 LEU MD1 5.000 . 5.000 2.499 1.981 3.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 20 PHE QE 1 48 LEU MD2 5.000 . 5.000 2.603 1.838 3.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 20 PHE QE 1 48 LEU HG 5.000 . 5.000 3.393 1.805 4.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 20 PHE QE 1 78 LEU QD 3.400 . 5.000 3.301 3.055 3.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 20 PHE QE 1 80 MET QB 5.000 . 5.000 3.817 3.262 4.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 20 PHE QE 1 81 MET QB 5.000 . 5.000 3.154 2.173 3.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 20 PHE QE 1 81 MET QG 2.800 . 3.000 2.260 1.881 2.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 21 LYS H 1 21 LYS HA 2.414 . 3.128 2.832 2.800 2.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 21 LYS H 1 21 LYS HB2 2.216 . 2.932 2.484 2.207 2.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 21 LYS H 1 21 LYS HB3 2.216 . 2.932 2.645 2.539 2.975 0.043 38 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 21 LYS H 1 21 LYS QG 5.000 . 5.000 4.047 3.775 4.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 21 LYS H 1 22 ALA H 2.552 . 3.404 2.711 2.596 2.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 21 LYS H 1 23 ALA H 2.904 . 4.108 4.105 3.966 4.159 0.051 32 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 21 LYS H 1 74 PHE QE 2.667 . 4.634 3.711 3.294 4.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 21 LYS H 1 74 PHE HZ 3.400 . 3.400 3.047 2.716 3.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 21 LYS HA 1 22 ALA H 3.026 . 4.352 3.566 3.549 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 21 LYS HA 1 23 ALA H 5.000 . 5.000 4.597 4.520 4.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 21 LYS HA 1 24 PHE H 3.289 . 4.878 3.501 3.388 3.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 21 LYS HA 1 25 ASP H 2.832 . 4.964 3.791 3.541 3.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 21 LYS HA 1 74 PHE QD 5.000 . 5.000 4.238 3.984 4.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 21 LYS HA 1 74 PHE QE 3.400 . 3.400 2.727 2.145 2.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 21 LYS HA 1 74 PHE HZ 5.000 . 5.000 2.840 1.823 3.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 21 LYS QB 1 74 PHE QE 5.000 . 5.000 3.617 3.289 3.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 21 LYS QB 1 74 PHE HZ 5.000 . 5.000 2.788 2.402 3.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 21 LYS HB2 1 22 ALA H 2.746 . 3.992 3.759 3.406 3.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 21 LYS HB3 1 22 ALA H 2.746 . 3.992 2.485 2.308 2.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 21 LYS QD 1 24 PHE H 5.000 . 5.000 4.461 4.247 4.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 21 LYS QD 1 25 ASP H 5.000 . 5.000 3.572 2.875 3.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 21 LYS QD 1 74 PHE HZ 5.000 . 5.000 3.287 2.688 4.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 21 LYS HD3 1 74 PHE QE 5.000 . 5.000 3.317 2.176 4.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 21 LYS QG 1 22 ALA H 3.271 . 4.842 3.677 3.277 4.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 21 LYS QG 1 25 ASP H 5.000 . 5.000 4.054 3.769 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 22 ALA H 1 22 ALA HA 2.405 . 3.110 2.842 2.808 2.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 22 ALA H 1 22 ALA MB 2.246 . 2.792 2.247 2.191 2.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 22 ALA H 1 23 ALA H 2.478 . 3.257 2.647 2.601 2.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 22 ALA HA 1 25 ASP H 2.624 . 3.548 3.546 3.479 3.585 0.037 32 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 22 ALA MB 1 23 ALA H 2.402 . 3.104 2.459 2.402 2.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 22 ALA MB 1 25 ASP H 2.438 . 5.700 4.780 4.752 4.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 23 ALA H 1 23 ALA HA 2.406 . 3.112 2.833 2.819 2.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 23 ALA H 1 23 ALA MB 2.217 . 2.734 2.221 2.139 2.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 23 ALA H 1 24 PHE H 2.843 . 3.986 2.616 2.518 2.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 23 ALA H 1 24 PHE QB 2.408 . 5.000 4.379 4.260 4.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 23 ALA H 1 25 ASP H 3.187 . 4.674 4.491 4.371 4.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 23 ALA H 1 26 ILE H 2.969 . 4.938 4.967 4.939 4.996 0.058 14 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 23 ALA HA 1 26 ILE H 2.668 . 5.036 4.031 3.929 4.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 23 ALA HA 1 27 PHE H 5.000 . 5.000 4.980 4.812 5.039 0.039 38 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 23 ALA MB 1 24 PHE H 2.779 . 4.358 2.880 2.802 3.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 23 ALA MB 1 77 PHE QE 5.000 . 5.000 2.969 2.318 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 24 PHE H 1 24 PHE HB2 2.866 . 4.232 2.426 2.367 2.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 24 PHE H 1 24 PHE HB3 2.866 . 4.232 2.768 2.728 2.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 24 PHE H 1 24 PHE QD 3.350 . 5.000 4.156 4.118 4.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 24 PHE H 1 25 ASP H 2.347 . 2.994 2.501 2.441 2.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 24 PHE H 1 26 ILE QG 3.350 . 5.000 3.747 3.556 3.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 24 PHE HA 1 25 ASP H 2.841 . 3.982 3.577 3.568 3.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 24 PHE HA 1 26 ILE H 5.000 . 5.000 4.450 4.274 4.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 24 PHE HA 1 27 PHE H 2.814 . 3.928 3.775 3.663 3.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 24 PHE HA 1 27 PHE QD 5.000 . 5.000 3.790 2.972 4.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 24 PHE QB 1 25 ASP H 2.374 . 3.048 2.212 2.165 2.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 24 PHE QB 1 74 PHE QE 5.000 . 5.000 2.546 2.001 2.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 24 PHE QB 1 77 PHE QD 5.000 . 5.000 3.711 3.379 3.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 24 PHE QD 1 25 ASP H 2.758 . 4.316 3.654 3.579 3.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 24 PHE QD 1 25 ASP HA 5.000 . 5.000 3.413 3.241 3.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 24 PHE QD 1 28 ILE QG 5.000 . 5.000 2.181 2.025 2.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 24 PHE QD 1 28 ILE MG 5.000 . 5.000 3.734 3.717 3.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 24 PHE QD 1 74 PHE QD 3.400 . 3.400 2.700 2.634 2.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 24 PHE QD 1 77 PHE QB 5.000 . 5.000 2.766 2.603 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 24 PHE QD 1 77 PHE QD 5.000 . 5.000 3.081 2.948 3.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 24 PHE QE 1 28 ILE MD 5.000 . 5.000 3.050 2.736 3.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 24 PHE QE 1 28 ILE QG . . 4.800 1.878 1.802 1.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 24 PHE QE 1 28 ILE MG 3.400 . 4.000 2.997 2.970 3.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 24 PHE QE 1 36 ILE H 5.000 . 5.000 3.662 3.438 3.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 24 PHE QE 1 73 ASP HA 5.000 . 5.000 3.400 3.230 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 24 PHE QE 1 74 PHE H 2.732 . 4.264 3.611 3.308 3.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 24 PHE QE 1 74 PHE HA 3.400 . 3.400 3.017 2.893 3.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 24 PHE QE 1 74 PHE QB 5.000 . 5.000 3.622 3.219 3.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 24 PHE QE 1 77 PHE H 5.000 . 5.000 4.124 3.993 4.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 24 PHE QE 1 77 PHE QB 5.000 . 5.000 2.141 1.977 2.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 24 PHE HZ 1 35 CYS HA 5.000 . 5.000 2.280 1.948 2.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 24 PHE HZ 1 36 ILE H 5.000 . 5.000 3.098 2.805 3.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 24 PHE HZ 1 73 ASP HA 5.000 . 5.000 2.098 1.841 2.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 24 PHE HZ 1 74 PHE H 2.570 . 3.440 3.123 2.698 3.457 0.017 26 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 25 ASP H 1 25 ASP HA 2.410 . 3.120 2.775 2.753 2.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 25 ASP H 1 25 ASP HB2 2.523 . 3.546 2.367 2.157 3.631 0.085 38 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 25 ASP H 1 25 ASP HB3 2.523 . 3.546 3.059 2.664 3.576 0.030 39 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 25 ASP H 1 26 ILE H 2.524 . 3.348 2.897 2.787 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 25 ASP H 1 26 ILE QG 5.000 . 5.000 3.955 3.873 4.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 25 ASP H 1 28 ILE HB 2.960 . 4.920 4.844 4.686 4.937 0.017 15 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 25 ASP HA 1 26 ILE H 2.844 . 3.988 3.572 3.522 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 25 ASP HA 1 27 PHE H 5.000 . 5.000 4.142 4.005 4.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 25 ASP HA 1 28 ILE H 2.738 . 3.776 3.026 2.801 3.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 25 ASP HA 1 28 ILE QG 3.400 . 3.400 3.067 2.681 3.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 25 ASP HB2 1 26 ILE H 2.789 . 4.178 3.514 2.781 3.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 25 ASP HB3 1 26 ILE H 2.789 . 4.178 3.005 2.548 4.253 0.075 34 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 26 ILE H 1 26 ILE HA 2.409 . 3.118 2.802 2.788 2.824 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 26 ILE H 1 26 ILE HB 2.206 . 3.612 3.631 3.625 3.642 0.030 38 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 26 ILE H 1 26 ILE MD 2.820 . 4.240 3.574 3.561 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 26 ILE H 1 26 ILE MD 2.820 . 3.940 2.211 2.124 2.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 26 ILE H 1 26 ILE HG12 2.543 . 3.586 2.004 1.947 2.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 26 ILE H 1 26 ILE HG13 2.543 . 3.586 3.127 1.917 3.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 26 ILE H 1 27 PHE H 2.360 . 3.020 2.753 2.677 2.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 26 ILE H 1 28 ILE H 5.000 . 5.000 3.972 3.871 4.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 26 ILE HA 1 26 ILE QG 3.400 . 3.700 3.308 3.303 3.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 26 ILE HA 1 27 PHE H 2.736 . 3.772 3.529 3.502 3.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 26 ILE HA 1 29 GLN QB 5.000 . 5.000 3.494 3.157 3.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 26 ILE HA 1 29 GLN QG 5.000 . 5.000 4.341 2.441 4.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 26 ILE HB 1 27 PHE H 2.389 . 4.079 3.726 3.663 3.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 26 ILE QG 1 27 PHE H 5.000 . 5.000 2.069 1.994 2.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 26 ILE MG 1 27 PHE H 2.628 . 4.756 3.983 3.969 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 27 PHE H 1 27 PHE HA 2.413 . 3.126 2.913 2.901 2.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 27 PHE H 1 27 PHE HB2 2.522 . 3.544 2.265 2.189 2.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 27 PHE H 1 27 PHE HB3 2.522 . 3.544 3.544 3.461 3.622 0.078 6 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 27 PHE H 1 28 ILE H 2.248 . 2.796 2.332 2.261 2.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 27 PHE H 1 28 ILE MD 3.161 . 4.622 3.831 3.506 3.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 27 PHE H 1 28 ILE QG 5.000 . 5.000 3.812 3.777 3.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 27 PHE HA 1 27 PHE QD 3.400 . 3.400 2.773 2.169 2.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 27 PHE HA 1 28 ILE H 2.787 . 3.874 3.513 3.462 3.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 27 PHE HA 1 29 GLN H 5.000 . 5.000 3.634 3.541 4.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 27 PHE QB 1 28 ILE H 2.953 . 4.206 2.885 2.749 3.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 27 PHE QD 1 44 VAL QG 5.000 . 5.000 2.655 1.959 3.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 27 PHE QE 1 44 VAL HA 5.000 . 5.000 2.814 2.211 3.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 27 PHE QE 1 44 VAL QG 5.000 . 5.000 2.465 1.998 2.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 27 PHE QE 1 47 MET QB 5.000 . 5.000 3.787 3.256 3.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 28 ILE H 1 28 ILE HA 2.412 . 3.124 2.932 2.918 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 28 ILE H 1 28 ILE HB 2.464 . 3.928 2.683 2.579 2.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 28 ILE H 1 28 ILE MD 2.392 . 3.084 2.583 2.464 2.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 28 ILE H 1 28 ILE HG12 2.813 . 4.126 2.369 2.304 2.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 28 ILE H 1 28 ILE HG13 2.813 . 4.126 3.824 3.783 3.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 28 ILE HA 1 28 ILE HB 2.800 . 3.000 3.019 3.015 3.024 0.024 22 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 28 ILE HA 1 31 ALA H 2.679 . 4.258 2.957 2.796 3.046 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 28 ILE HA 1 31 ALA MB 5.000 . 5.000 2.119 1.918 2.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 28 ILE HB 1 29 GLN H 3.098 . 4.496 4.112 2.980 4.236 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 28 ILE HB 1 31 ALA H 3.004 . 5.000 5.020 4.933 5.058 0.058 12 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 28 ILE MD 1 29 GLN H 3.073 . 4.846 4.060 4.020 4.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 28 ILE MD 1 31 ALA H 5.000 . 5.000 4.171 4.077 4.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 28 ILE MD 1 35 CYS HA 5.000 . 5.000 2.367 2.143 2.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 28 ILE MD 1 36 ILE H 2.702 . 3.704 3.032 2.933 3.110 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 28 ILE MD 1 36 ILE QG 5.000 . 5.000 3.701 3.539 3.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 28 ILE QG 1 29 GLN H 3.077 . 5.354 4.734 4.199 4.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 28 ILE MG 1 34 GLY H 3.350 . 5.000 3.600 3.334 3.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 28 ILE MG 1 34 GLY QA 5.000 . 5.000 1.869 1.766 1.958 0.034 18 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 29 GLN H 1 29 GLN HA 2.405 . 3.110 2.861 2.795 2.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 29 GLN H 1 29 GLN QB 2.696 . 3.892 2.680 2.531 2.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 29 GLN H 1 29 GLN QG 2.696 . 3.892 1.999 1.758 2.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 29 GLN H 1 30 ASP H 2.727 . 3.754 2.519 2.426 2.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 29 GLN HA 1 30 ASP H 2.654 . 3.608 3.511 3.497 3.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 29 GLN QB 1 30 ASP H 3.153 . 4.806 3.495 3.397 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 29 GLN QG 1 30 ASP H 3.153 . 4.806 2.037 1.902 2.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 29 GLN QG 1 31 ALA H 3.037 . 4.874 4.216 4.036 4.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 30 ASP H 1 30 ASP HA 2.405 . 3.110 2.913 2.889 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 30 ASP H 1 30 ASP QB 2.724 . 3.748 2.931 2.664 3.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 30 ASP H 1 31 ALA H 2.595 . 3.490 2.376 2.204 2.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 30 ASP H 1 31 ALA MB 5.000 . 5.000 3.724 3.644 3.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 30 ASP QB 1 31 ALA H 2.983 . 4.466 3.929 3.617 4.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 31 ALA H 1 31 ALA HA 2.409 . 3.118 2.859 2.837 2.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 31 ALA H 1 31 ALA MB 2.189 . 2.678 2.250 2.236 2.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 31 ALA H 1 32 GLU H 3.048 . 4.596 4.627 4.618 4.635 0.039 24 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 31 ALA HA 1 32 GLU H 2.119 . 2.538 2.303 2.257 2.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 31 ALA HA 1 33 ASP H 3.134 . 4.568 4.400 4.131 4.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 31 ALA MB 1 32 GLU H 2.425 . 3.150 2.561 2.367 2.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 31 ALA MB 1 33 ASP H 2.669 . 3.638 2.980 2.689 3.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 31 ALA MB 1 34 GLY H 3.081 . 4.462 2.218 2.028 2.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 31 ALA MB 1 35 CYS H 2.303 . 2.906 2.304 1.972 2.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 32 GLU H 1 32 GLU HA 2.426 . 3.152 2.879 2.845 2.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 32 GLU H 1 32 GLU QB 2.281 . 2.862 2.397 2.216 2.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 32 GLU H 1 32 GLU QG 2.588 . 3.476 2.450 1.915 2.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 32 GLU H 1 33 ASP H 2.688 . 3.676 2.550 2.207 2.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 32 GLU HA 1 33 ASP H 2.610 . 3.520 3.554 3.528 3.565 0.045 2 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 32 GLU HA 1 34 GLY H 3.350 . 5.000 4.710 4.139 5.031 0.031 39 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 32 GLU QB 1 33 ASP H 2.785 . 3.870 2.595 2.283 3.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 32 GLU QB 1 33 ASP HA 5.000 . 5.000 4.085 3.936 4.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 32 GLU QG 1 33 ASP H 5.000 . 5.000 3.785 1.910 4.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 33 ASP H 1 33 ASP HA 2.406 . 3.112 2.947 2.888 2.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 33 ASP H 1 33 ASP HB2 2.744 . 3.989 2.585 2.261 3.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 33 ASP H 1 33 ASP HB3 2.744 . 3.989 3.280 2.553 3.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 33 ASP H 1 34 GLY H 2.924 . 4.148 2.269 2.078 2.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 33 ASP H 1 35 CYS H 3.060 . 4.420 3.632 2.993 4.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 33 ASP HA 1 34 GLY H 3.005 . 4.310 3.406 2.992 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 33 ASP QB 1 35 CYS H 5.000 . 5.000 3.602 3.064 4.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 33 ASP HB2 1 34 GLY H 3.350 . 5.000 3.504 2.563 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 33 ASP HB3 1 34 GLY H 3.350 . 5.000 3.579 2.597 4.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 34 GLY H 1 34 GLY HA2 2.952 . 4.404 2.409 2.300 2.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 34 GLY H 1 34 GLY HA3 2.952 . 4.404 2.926 2.825 2.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 34 GLY H 1 35 CYS H 3.010 . 4.320 2.246 1.957 2.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 34 GLY QA 1 35 CYS H 2.481 . 3.262 2.725 2.558 2.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 35 CYS H 1 35 CYS HA 2.412 . 3.124 2.918 2.900 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 35 CYS H 1 35 CYS HB2 2.541 . 3.882 3.375 2.833 3.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 35 CYS H 1 35 CYS HB3 2.541 . 3.882 3.837 3.752 3.923 0.041 38 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 35 CYS H 1 36 ILE H 5.000 . 5.000 4.400 4.382 4.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 35 CYS HA 1 36 ILE H 2.121 . 2.542 2.513 2.406 2.593 0.051 11 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 35 CYS HA 1 36 ILE MD 5.000 . 5.000 3.507 3.400 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 35 CYS HA 1 73 ASP HA 5.000 . 5.000 3.348 2.689 3.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 35 CYS QB 1 71 THR HB 3.400 . 3.400 2.032 1.784 2.229 0.016 9 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 35 CYS QB 1 71 THR MG 5.000 . 5.000 3.388 2.926 3.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 35 CYS QB 1 72 VAL H 2.589 . 3.478 2.995 2.819 3.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 35 CYS HB2 1 36 ILE H 2.346 . 3.192 2.715 2.248 3.249 0.057 25 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 35 CYS HB3 1 36 ILE H 2.346 . 3.192 2.780 2.078 3.269 0.077 3 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 36 ILE H 1 36 ILE HA 2.422 . 3.144 2.956 2.949 2.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 36 ILE H 1 36 ILE HB 2.254 . 3.808 3.711 3.687 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 36 ILE H 1 36 ILE MD 2.359 . 4.319 3.642 3.617 3.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 36 ILE H 1 36 ILE QG 2.323 . 2.946 1.915 1.866 1.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 36 ILE H 1 71 THR HB 2.733 . 3.766 3.679 3.401 3.824 0.058 10 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 36 ILE H 1 72 VAL H 2.444 . 3.187 3.053 2.937 3.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 36 ILE H 1 72 VAL HB 2.545 . 3.390 3.402 3.356 3.471 0.081 35 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 36 ILE H 1 72 VAL QG 5.000 . 5.300 3.957 3.878 3.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 36 ILE H 1 73 ASP HA 5.000 . 5.000 3.972 3.546 4.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 36 ILE HB 1 37 SER H 2.670 . 4.640 2.123 1.993 2.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 36 ILE HB 1 72 VAL H 2.604 . 4.708 4.742 4.700 4.765 0.057 13 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 36 ILE MD 1 40 GLU H 5.000 . 5.200 3.840 3.324 3.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 36 ILE MD 1 72 VAL HB 5.000 . 5.000 1.938 1.799 2.079 0.001 39 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 36 ILE MD 1 77 PHE QD 5.000 . 5.000 3.314 3.305 3.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 36 ILE MD 1 37 SER H 2.432 . 3.264 2.748 2.722 2.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 36 ILE MD 1 41 LEU H 2.998 . 4.296 3.581 3.415 3.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 36 ILE MD 1 72 VAL H 2.345 . 5.000 3.171 2.999 3.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 36 ILE MD 1 72 VAL QG 5.000 . 5.000 2.092 1.887 2.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 37 SER H 1 37 SER HA 2.414 . 3.129 2.929 2.924 2.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 37 SER H 1 37 SER HB2 2.263 . 3.026 2.560 2.415 2.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 37 SER H 1 37 SER HB3 2.263 . 3.026 2.758 2.532 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 37 SER H 1 38 THR H 2.890 . 4.480 4.547 4.504 4.568 0.088 21 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 37 SER H 1 40 GLU HB2 2.890 . 4.680 2.736 2.044 4.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 37 SER H 1 40 GLU HB3 2.890 . 4.680 3.515 2.272 4.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 37 SER HA 1 38 THR H 2.131 . 2.562 2.220 2.155 2.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 37 SER HA 1 71 THR HA 3.400 . 3.400 2.644 2.414 2.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 37 SER HA 1 71 THR MG 5.000 . 5.000 3.241 2.950 3.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 37 SER HA 1 72 VAL H 2.653 . 3.606 3.526 3.359 3.643 0.037 4 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 37 SER QB 1 38 THR H 2.785 . 5.000 3.467 3.166 3.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 38 THR H 1 38 THR HA 2.413 . 3.126 2.812 2.781 2.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 38 THR H 1 38 THR HB 2.502 . 4.004 3.585 2.789 3.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 38 THR H 1 38 THR MG 2.253 . 2.806 2.329 1.941 2.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 38 THR H 1 39 LYS H 2.477 . 3.254 2.730 2.644 2.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 38 THR H 1 71 THR HA 2.466 . 4.531 3.144 2.632 3.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 38 THR H 1 72 VAL QG 2.785 . 5.000 3.306 3.006 3.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 38 THR HA 1 38 THR HB 2.800 . 2.800 2.533 2.369 2.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 38 THR HA 1 39 LYS H 2.696 . 3.692 3.548 3.503 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 38 THR HA 1 40 GLU H 2.571 . 4.641 4.067 3.801 4.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 38 THR HA 1 61 ILE MG 5.000 . 5.000 2.837 1.934 3.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 38 THR HB 1 39 LYS H 2.495 . 5.010 3.560 3.209 4.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 38 THR HB 1 61 ILE QG 5.000 . 5.000 3.298 2.103 4.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 38 THR MG 1 70 GLY H 5.000 . 5.000 3.792 2.962 4.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 39 LYS H 1 39 LYS HA 2.410 . 3.120 2.857 2.828 2.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 39 LYS H 1 39 LYS QB 2.234 . 2.768 2.452 2.111 2.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 39 LYS H 1 39 LYS QG 2.475 . 3.250 2.322 2.017 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 39 LYS H 1 40 GLU H 2.381 . 3.462 2.566 2.431 2.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 39 LYS HA 1 40 GLU H 2.618 . 3.536 3.477 3.280 3.553 0.017 33 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 39 LYS QD 1 40 GLU H 2.438 . 5.000 4.216 3.261 4.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 39 LYS QG 1 40 GLU H 5.000 . 5.000 3.034 2.001 4.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 40 GLU H 1 40 GLU HA 2.413 . 3.126 2.908 2.885 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 40 GLU H 1 40 GLU HB2 2.382 . 3.564 2.367 2.137 3.654 0.090 20 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 40 GLU H 1 40 GLU HB3 2.382 . 3.564 3.382 2.633 3.614 0.050 6 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 40 GLU H 1 40 GLU QG 2.605 . 4.510 3.083 2.281 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 40 GLU H 1 41 LEU H 2.284 . 2.868 2.605 2.329 2.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 40 GLU HA 1 41 LEU H 2.719 . 3.738 3.276 3.047 3.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 40 GLU HA 1 42 GLY H 5.000 . 5.000 3.854 3.100 4.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 40 GLU HA 1 43 LYS H 2.833 . 4.366 3.448 3.213 4.405 0.039 26 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 40 GLU QB 1 43 LYS H 5.000 . 5.000 4.249 3.839 4.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 40 GLU HB2 1 41 LEU H 2.868 . 4.636 3.856 3.528 4.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 40 GLU HB3 1 41 LEU H 2.868 . 4.636 4.097 3.575 4.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 41 LEU H 1 41 LEU HA 2.410 . 3.121 2.831 2.793 2.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 41 LEU H 1 41 LEU QB 2.408 . 5.000 2.167 2.048 2.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 41 LEU H 1 41 LEU HG 2.253 . 4.506 4.308 3.186 4.557 0.051 12 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 41 LEU H 1 42 GLY H 2.560 . 4.020 2.771 2.469 3.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 41 LEU H 1 57 LEU QD 2.672 . 5.000 3.474 2.864 3.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 41 LEU HA 1 44 VAL H 2.460 . 4.120 3.381 3.247 3.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 41 LEU HA 1 45 MET H 2.769 . 5.000 4.361 4.016 4.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 41 LEU QB 1 42 GLY H 3.350 . 5.000 2.780 2.424 4.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 41 LEU QD 1 44 VAL H 3.017 . 5.104 3.821 3.783 3.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 41 LEU QD 1 45 MET QG 5.000 . 5.000 2.370 1.863 3.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 41 LEU HG 1 42 GLY H 3.350 . 5.000 4.730 3.564 5.105 0.105 20 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 42 GLY H 1 43 LYS H 3.063 . 4.426 2.589 1.964 2.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 42 GLY H 1 57 LEU QD 3.265 . 5.030 2.352 2.001 3.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 42 GLY QA 1 45 MET H 2.769 . 4.738 3.605 3.479 3.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 42 GLY QA 1 46 ARG H 5.000 . 5.400 4.360 3.572 4.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 42 GLY HA2 1 43 LYS H 2.717 . 3.934 3.472 3.399 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 42 GLY HA3 1 43 LYS H 2.717 . 3.934 3.072 2.676 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 43 LYS H 1 43 LYS HA 2.408 . 3.116 2.898 2.867 2.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 43 LYS H 1 43 LYS QB 2.187 . 2.774 2.386 2.205 2.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 43 LYS H 1 43 LYS QD 2.984 . 4.568 3.914 2.808 4.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 43 LYS H 1 43 LYS HG2 2.866 . 4.632 3.506 2.030 4.695 0.063 27 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 43 LYS H 1 43 LYS HG3 2.866 . 4.632 3.836 2.290 4.668 0.036 24 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 43 LYS H 1 44 VAL QG 2.991 . 4.382 3.290 3.273 3.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 43 LYS H 1 45 MET H 3.134 . 4.568 3.917 3.794 4.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 43 LYS H 1 57 LEU QD 5.000 . 5.500 4.078 3.992 4.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 43 LYS HA 1 44 VAL H 2.643 . 3.586 3.549 3.469 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 43 LYS QG 1 44 VAL H 3.036 . 4.472 3.750 2.124 4.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 44 VAL H 1 44 VAL HA 2.410 . 3.120 2.860 2.833 2.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 44 VAL H 1 44 VAL HB 2.090 . 3.580 3.626 3.609 3.638 0.058 5 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 44 VAL H 1 44 VAL QG 2.198 . 2.696 1.837 1.762 1.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 44 VAL H 1 45 MET H 2.316 . 2.932 2.565 2.466 2.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 44 VAL H 1 46 ARG H 2.839 . 4.078 4.065 3.803 4.150 0.072 36 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 44 VAL HA 1 45 MET H 2.819 . 3.938 3.534 3.509 3.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 44 VAL HA 1 47 MET H 2.735 . 3.770 3.432 3.151 3.782 0.012 26 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 44 VAL HA 1 47 MET QB 5.000 . 5.000 2.965 2.358 3.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 44 VAL HB 1 45 MET H 2.264 . 4.128 3.791 3.672 3.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 44 VAL QG 1 45 MET H 2.574 . 3.448 2.085 1.880 2.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 44 VAL QG 1 77 PHE QE 5.000 . 5.000 1.981 1.696 2.760 0.104 30 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 45 MET H 1 45 MET HA 2.413 . 3.126 2.840 2.808 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 45 MET H 1 45 MET HB2 2.832 . 4.164 2.668 2.483 3.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 45 MET H 1 45 MET HB3 2.832 . 4.164 3.575 2.681 3.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 45 MET H 1 45 MET ME 2.497 . 3.694 3.124 3.085 3.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 45 MET H 1 45 MET HG2 2.407 . 3.314 2.446 1.914 3.356 0.042 10 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 45 MET H 1 45 MET HG3 2.407 . 3.314 2.794 2.142 3.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 45 MET H 1 46 ARG H 2.427 . 3.154 2.585 2.397 2.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 45 MET HA 1 46 ARG H 2.533 . 3.466 3.510 3.472 3.531 0.065 39 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 45 MET HA 1 47 MET H 2.979 . 4.258 4.266 4.188 4.304 0.046 29 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 45 MET HA 1 48 LEU H 3.350 . 5.000 3.267 3.121 3.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 45 MET QB 1 45 MET ME 3.400 . 3.400 2.381 2.004 2.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 45 MET QB 1 46 ARG H 2.440 . 3.680 2.755 2.593 3.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 45 MET QG 1 46 ARG H 2.950 . 4.500 3.845 1.987 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 46 ARG H 1 46 ARG HA 2.411 . 3.122 2.828 2.794 2.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 46 ARG H 1 46 ARG QB 2.151 . 2.602 2.195 2.028 2.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 46 ARG H 1 46 ARG QG 2.557 . 3.714 2.862 2.389 3.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 46 ARG H 1 47 MET H 2.288 . 2.876 2.661 2.507 2.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 46 ARG H 1 48 LEU H 2.709 . 4.018 4.029 3.833 4.078 0.060 17 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 46 ARG HA 1 47 MET H 2.767 . 3.834 3.542 3.519 3.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 46 ARG HA 1 50 GLN H 2.393 . 4.386 3.155 2.345 4.428 0.042 26 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 46 ARG QB 1 47 MET H 2.382 . 3.264 2.707 2.542 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 46 ARG QG 1 51 ASN HA 5.000 . 5.300 3.247 2.440 4.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 47 MET H 1 47 MET HA 2.409 . 3.118 2.864 2.822 2.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 47 MET H 1 47 MET QB 2.187 . 2.674 2.232 2.092 2.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 47 MET H 1 47 MET HG2 2.776 . 4.252 3.515 2.292 4.278 0.026 2 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 47 MET H 1 47 MET HG3 2.776 . 4.252 3.450 2.424 4.265 0.013 27 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 47 MET H 1 48 LEU H 2.964 . 4.228 2.536 2.412 2.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 47 MET H 1 49 GLY H 3.350 . 5.000 4.362 4.060 4.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 47 MET QB 1 48 LEU H 3.135 . 4.570 2.753 2.627 2.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 48 LEU H 1 48 LEU QB 2.785 . 3.870 2.146 2.045 2.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 48 LEU H 1 48 LEU MD1 3.350 . 5.000 3.855 3.182 4.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 48 LEU H 1 48 LEU MD2 3.350 . 5.000 3.720 2.576 4.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 48 LEU H 1 49 GLY H 3.023 . 4.346 2.725 2.466 2.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 48 LEU H 1 50 GLN H 3.350 . 5.000 4.397 4.101 4.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 48 LEU HA 1 48 LEU QD 3.400 . 4.600 2.039 1.803 2.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 48 LEU HA 1 49 GLY H 3.199 . 4.698 3.572 3.545 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 48 LEU QB 1 49 GLY H 3.350 . 5.000 2.394 2.076 2.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 48 LEU QB 1 50 GLN H 2.408 . 5.000 3.784 2.738 4.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 48 LEU QD 1 77 PHE QE 5.000 . 5.000 3.077 2.433 3.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 49 GLY H 1 50 GLN H 2.954 . 4.208 2.176 2.034 2.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 49 GLY QA 1 50 GLN H 2.780 . 3.860 2.626 2.516 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 50 GLN H 1 50 GLN HA 2.412 . 3.124 2.914 2.902 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 50 GLN H 1 50 GLN QB 2.304 . 3.108 2.633 2.152 2.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 50 GLN H 1 50 GLN QG 2.332 . 4.264 3.652 2.180 3.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 50 GLN HA 1 51 ASN H 2.028 . 3.056 2.348 2.179 2.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 50 GLN QB 1 50 GLN HE22 3.400 . 5.000 3.667 3.328 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 50 GLN QB 1 51 ASN H 5.000 . 5.000 2.671 2.049 3.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 50 GLN QG 1 51 ASN H 2.217 . 3.634 3.168 2.262 3.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 51 ASN H 1 51 ASN HA 2.453 . 3.206 2.927 2.897 2.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 51 ASN H 1 51 ASN HB2 2.331 . 3.262 3.111 2.919 3.295 0.033 8 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 51 ASN H 1 51 ASN HB3 2.331 . 3.262 3.077 2.913 3.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 51 ASN H 1 52 PRO QD 2.438 . 3.376 2.821 2.451 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 51 ASN HA 1 51 ASN QB 2.800 . 2.800 2.458 2.398 2.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 51 ASN HA 1 52 PRO QD 2.800 . 3.800 2.136 2.024 2.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 51 ASN HA 1 52 PRO QG 5.000 . 5.700 4.068 3.958 4.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 52 PRO HA 1 53 THR H 2.438 . 5.000 2.690 2.644 2.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 52 PRO QB 1 53 THR H 2.489 . 4.178 2.001 1.973 2.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 52 PRO HB2 1 57 LEU H 2.624 . 4.548 3.108 2.997 3.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 52 PRO HB3 1 57 LEU H 2.872 . 4.544 4.601 4.568 4.641 0.097 30 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 52 PRO QG 1 53 THR H 2.561 . 4.178 3.780 3.759 3.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 53 THR H 1 53 THR HA 2.414 . 3.128 2.958 2.937 2.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 53 THR H 1 53 THR HB 2.010 . 3.920 3.744 3.680 3.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 53 THR H 1 53 THR MG 2.123 . 2.546 2.150 2.120 2.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 53 THR H 1 54 PRO QD 5.000 . 5.000 4.345 4.324 4.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 53 THR H 1 56 GLU H 2.647 . 3.594 3.621 3.567 3.671 0.077 35 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 53 THR H 1 56 GLU HB2 2.438 . 3.676 2.593 1.892 3.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 53 THR H 1 56 GLU HB3 2.438 . 3.676 2.656 2.120 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 53 THR HA 1 53 THR HB 2.800 . 2.800 2.350 2.323 2.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 53 THR HA 1 53 THR MG 3.400 . 3.400 2.585 2.507 2.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 53 THR HA 1 54 PRO QD 2.800 . 2.800 2.240 2.163 2.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 53 THR HA 1 55 GLU H 3.054 . 4.408 4.326 4.173 4.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 53 THR HB 1 54 PRO QD 2.800 . 2.800 1.663 1.601 1.757 0.199 36 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 53 THR HB 1 55 GLU H 2.502 . 3.304 3.205 2.933 3.322 0.018 1 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 53 THR HB 1 56 GLU H 2.345 . 5.000 3.786 3.596 3.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 53 THR MG 1 55 GLU H 3.077 . 5.100 4.297 4.264 4.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 53 THR MG 1 56 GLU H 3.180 . 4.660 3.738 3.611 3.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 54 PRO HA 1 55 GLU H 2.825 . 3.950 3.508 3.488 3.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 54 PRO HA 1 56 GLU H 5.000 . 5.000 4.491 4.366 4.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 54 PRO HA 1 57 LEU H 2.773 . 3.946 3.983 3.874 4.027 0.081 19 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 54 PRO HA 1 58 GLN H 2.986 . 4.272 4.184 4.068 4.299 0.027 28 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 54 PRO QB 1 55 GLU H 2.800 . 3.600 3.262 3.244 3.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 54 PRO QD 1 55 GLU H 2.498 . 3.296 2.492 2.385 2.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 55 GLU H 1 55 GLU HA 2.408 . 3.116 2.909 2.901 2.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 55 GLU H 1 55 GLU HB2 2.364 . 3.628 2.975 2.656 3.651 0.023 18 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 55 GLU H 1 55 GLU HB3 2.364 . 3.628 3.393 2.780 3.650 0.022 11 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 55 GLU H 1 55 GLU QG 2.537 . 3.374 2.014 1.887 2.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 55 GLU H 1 56 GLU H 2.414 . 3.128 2.340 2.301 2.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 55 GLU QB 1 56 GLU H 2.544 . 3.888 2.896 2.487 3.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 55 GLU QG 1 56 GLU H 2.910 . 4.120 3.225 2.050 3.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 56 GLU H 1 56 GLU HA 2.407 . 3.114 2.852 2.824 2.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 56 GLU H 1 56 GLU HB2 2.574 . 3.648 2.332 2.172 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 56 GLU H 1 56 GLU HB3 2.574 . 3.648 3.081 2.609 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 56 GLU H 1 57 LEU H 2.404 . 3.108 2.737 2.616 2.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 56 GLU HB2 1 57 LEU H 2.643 . 3.786 3.126 2.428 3.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 56 GLU HB3 1 57 LEU H 2.643 . 3.786 2.621 2.197 3.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 57 LEU H 1 57 LEU HA 2.410 . 3.120 2.815 2.794 2.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 57 LEU H 1 57 LEU HB2 2.386 . 3.572 3.453 3.189 3.614 0.042 2 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 57 LEU H 1 57 LEU HB3 2.386 . 3.572 2.305 2.063 2.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 57 LEU H 1 57 LEU QD 2.765 . 3.930 2.808 2.100 2.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 57 LEU H 1 57 LEU HG 2.622 . 4.244 3.293 2.195 4.304 0.060 11 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 57 LEU H 1 58 GLN H 2.442 . 3.184 2.698 2.662 2.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 57 LEU HA 1 58 GLN H 2.497 . 3.494 3.511 3.463 3.538 0.044 9 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 57 LEU HB2 1 58 GLN H 2.623 . 4.346 4.123 3.765 4.390 0.044 12 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 57 LEU HB3 1 58 GLN H 2.623 . 4.346 3.754 3.213 4.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 57 LEU QD 1 58 GLN H 2.806 . 4.312 2.433 1.949 2.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 57 LEU QD 1 58 GLN QE 5.000 . 5.000 3.312 3.273 3.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 57 LEU HG 1 58 GLN H 2.785 . 5.000 2.955 2.111 4.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 58 GLN H 1 58 GLN HA 2.410 . 3.120 2.799 2.766 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 58 GLN H 1 58 GLN QB 2.167 . 2.634 2.161 2.075 2.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 58 GLN H 1 58 GLN QG 2.614 . 4.628 3.796 3.319 4.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 58 GLN H 1 59 GLU H 2.386 . 3.572 2.792 2.577 2.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 58 GLN HA 1 58 GLN QE 5.000 . 5.000 2.063 1.979 2.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 58 GLN HA 1 59 GLU H 2.866 . 4.032 3.561 3.540 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 58 GLN HA 1 59 GLU HA 5.000 . 5.000 4.818 4.787 4.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 58 GLN HA 1 60 MET H 5.000 . 5.000 4.365 3.949 4.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 58 GLN HA 1 61 ILE H 2.607 . 4.014 3.542 3.295 3.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 58 GLN HA 1 62 ASP H 2.785 . 5.000 4.305 3.914 4.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 58 GLN QB 1 58 GLN QE 2.438 . 5.000 3.378 3.292 3.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 58 GLN QE 1 62 ASP H 2.658 . 3.816 3.410 3.196 3.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 58 GLN HE21 1 61 ILE HB 2.438 . 5.000 2.608 2.024 2.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 58 GLN HE21 1 61 ILE MG 5.000 . 5.000 3.184 2.570 4.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 58 GLN HE22 1 58 GLN QG 3.400 . 3.800 3.341 3.325 3.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 58 GLN HE22 1 61 ILE HB 2.438 . 5.000 3.203 2.407 3.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 58 GLN HE22 1 61 ILE MG 5.000 . 5.000 3.150 2.394 4.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 59 GLU H 1 59 GLU HA 2.407 . 3.114 2.826 2.794 2.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 59 GLU H 1 59 GLU QB 2.198 . 2.696 2.315 2.099 2.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 59 GLU H 1 59 GLU QG 2.533 . 3.366 2.523 2.237 3.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 59 GLU H 1 60 MET H 2.377 . 3.054 2.679 2.602 2.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 59 GLU HA 1 59 GLU QB 2.800 . 2.800 2.429 2.185 2.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 59 GLU HA 1 60 MET H 2.822 . 3.944 3.542 3.471 3.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 59 GLU HA 1 62 ASP QB 5.000 . 5.000 3.540 2.811 4.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 59 GLU HA 1 63 GLU H 2.894 . 4.088 4.115 4.048 4.169 0.081 24 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 60 MET H 1 60 MET HA 2.406 . 3.112 2.833 2.811 2.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 60 MET H 1 60 MET QB 2.299 . 2.898 2.356 2.170 2.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 60 MET H 1 60 MET QG 2.698 . 3.996 2.489 2.060 3.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 60 MET H 1 61 ILE H 2.539 . 3.378 2.683 2.577 2.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 60 MET H 1 61 ILE HB 5.000 . 5.000 4.732 4.569 5.048 0.048 21 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 60 MET H 1 61 ILE QG 5.000 . 5.000 4.440 4.195 4.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 60 MET HA 1 63 GLU H 2.722 . 3.744 3.718 3.606 3.776 0.032 40 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 60 MET QB 1 61 ILE H 2.347 . 2.994 2.543 2.309 2.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 60 MET QB 1 61 ILE HA 5.000 . 5.000 3.852 3.812 3.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 61 ILE H 1 61 ILE HA 2.417 . 3.134 2.784 2.765 2.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 61 ILE H 1 61 ILE HB 2.175 . 3.150 2.444 2.393 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 61 ILE H 1 61 ILE MD 2.584 . 3.468 2.831 2.125 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 61 ILE H 1 61 ILE MD 2.584 . 3.668 2.749 2.113 2.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 61 ILE H 1 61 ILE HG12 2.442 . 3.684 3.469 2.242 3.757 0.073 34 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 61 ILE H 1 61 ILE HG13 2.442 . 3.684 2.519 2.081 3.736 0.052 36 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 61 ILE H 1 62 ASP H 2.408 . 3.116 3.102 2.786 3.156 0.040 31 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 61 ILE HA 1 61 ILE QG 3.400 . 3.400 2.449 2.305 3.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 61 ILE HA 1 62 ASP H 2.770 . 3.840 3.569 3.554 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 61 ILE HA 1 63 GLU H 5.000 . 5.000 4.364 4.202 4.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 61 ILE HA 1 64 VAL H 2.755 . 3.810 3.768 3.543 3.849 0.039 31 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 61 ILE HA 1 65 ASP H 2.669 . 5.038 4.205 3.805 4.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 61 ILE HB 1 61 ILE QG 2.800 . 2.800 2.450 2.186 2.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 61 ILE HB 1 62 ASP H 2.320 . 2.940 2.077 1.971 2.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 61 ILE MD 1 62 ASP H 2.526 . 3.352 2.542 2.523 2.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 61 ILE HG12 1 62 ASP H 3.015 . 4.730 4.652 4.113 4.772 0.042 34 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 61 ILE HG13 1 62 ASP H 3.015 . 4.730 4.377 4.092 4.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 62 ASP H 1 62 ASP HA 2.410 . 3.120 2.770 2.741 2.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 62 ASP H 1 62 ASP HB2 2.530 . 3.560 2.511 2.121 3.614 0.054 16 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 62 ASP H 1 62 ASP HB3 2.530 . 3.560 3.158 2.394 3.610 0.050 6 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 62 ASP H 1 63 GLU H 2.378 . 3.056 2.843 2.765 2.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 62 ASP HA 1 63 GLU H 2.773 . 3.846 3.541 3.526 3.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 62 ASP HA 1 65 ASP H 5.000 . 5.000 3.450 3.171 3.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 62 ASP HB2 1 63 GLU H 2.700 . 3.900 3.360 2.704 3.960 0.060 34 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 62 ASP HB3 1 63 GLU H 2.700 . 3.900 3.319 2.672 3.993 0.093 39 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 63 GLU H 1 63 GLU HA 2.409 . 3.118 2.834 2.813 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 63 GLU H 1 63 GLU QB 2.180 . 2.660 2.204 2.145 2.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 63 GLU H 1 63 GLU HG2 2.589 . 3.878 3.350 2.733 3.918 0.040 26 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 63 GLU H 1 63 GLU HG3 2.589 . 3.878 3.286 2.733 3.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 63 GLU H 1 64 VAL H 2.286 . 2.872 2.754 2.630 2.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 63 GLU H 1 64 VAL QG 2.766 . 4.932 3.670 3.531 3.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 63 GLU HA 1 64 VAL H 2.776 . 3.852 3.575 3.544 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 63 GLU QB 1 64 VAL H 2.387 . 3.774 2.550 2.368 2.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 63 GLU QG 1 64 VAL H 5.000 . 5.000 4.289 4.201 4.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 64 VAL H 1 64 VAL HA 2.420 . 3.140 2.890 2.835 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 64 VAL H 1 64 VAL HB 2.232 . 3.964 3.656 3.632 3.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 64 VAL H 1 64 VAL QG 2.158 . 2.616 1.923 1.869 1.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 64 VAL HA 1 65 ASP H 2.605 . 3.510 3.469 3.214 3.524 0.014 15 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 64 VAL QG 1 65 ASP H 2.324 . 4.248 2.429 2.197 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 64 VAL QG 1 66 GLU H 2.979 . 5.700 4.267 4.240 4.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 64 VAL QG 1 80 MET H 2.472 . 4.044 2.863 2.532 3.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 64 VAL QG 1 80 MET HA 5.000 . 5.000 1.991 1.735 2.384 0.065 14 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 64 VAL QG 1 80 MET QG 5.000 . 5.000 1.811 1.597 1.982 0.203 35 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 64 VAL QG 1 83 ARG QD 5.000 . 5.000 2.425 1.789 3.328 0.011 3 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 65 ASP H 1 65 ASP HA 2.416 . 3.132 2.848 2.771 2.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 65 ASP H 1 65 ASP HB2 2.214 . 3.028 2.200 2.137 2.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 65 ASP H 1 65 ASP HB3 2.214 . 3.028 3.037 2.685 3.094 0.066 40 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 65 ASP HA 1 66 GLU H 2.185 . 2.670 2.247 2.127 2.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 65 ASP HA 1 67 ASP H 2.839 . 3.978 3.596 3.161 3.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 65 ASP HA 1 68 GLY H 5.000 . 5.000 3.789 3.583 4.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 65 ASP QB 1 67 ASP H 5.000 . 5.000 4.403 3.875 4.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 65 ASP QB 1 68 GLY H 5.000 . 5.000 3.288 2.776 3.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 66 GLU H 1 66 GLU HA 2.409 . 3.118 2.844 2.742 2.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 66 GLU H 1 66 GLU QB 2.174 . 2.648 2.326 2.229 2.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 66 GLU H 1 66 GLU QG 2.522 . 3.345 2.513 2.278 2.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 66 GLU H 1 67 ASP H 2.425 . 3.150 2.649 2.496 2.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 66 GLU H 1 68 GLY H 3.350 . 5.000 4.129 3.941 4.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 66 GLU H 1 76 GLU HG2 2.995 . 4.490 3.066 2.745 4.521 0.031 39 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 66 GLU H 1 76 GLU HG3 2.995 . 4.490 4.492 4.267 4.540 0.050 19 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 66 GLU HA 1 67 ASP H 2.649 . 3.598 3.539 3.445 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 66 GLU HA 1 68 GLY H 3.350 . 5.000 4.800 4.644 5.017 0.017 40 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 66 GLU QB 1 67 ASP H 2.372 . 3.844 2.710 2.517 3.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 67 ASP H 1 67 ASP HA 2.416 . 4.132 2.910 2.895 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 67 ASP H 1 67 ASP HB2 2.701 . 3.902 3.352 2.612 3.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 67 ASP H 1 67 ASP HB3 2.701 . 3.902 3.193 2.851 3.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 67 ASP H 1 69 SER H 5.000 . 5.000 4.465 3.900 4.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 67 ASP HA 1 68 GLY H 3.350 . 5.000 3.551 3.508 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 68 GLY H 1 69 SER H 3.027 . 4.354 2.519 2.389 2.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 68 GLY H 1 69 SER HA 5.000 . 5.000 5.039 4.877 5.084 0.084 34 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 68 GLY QA 1 69 SER H 2.716 . 3.732 2.664 2.570 2.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 68 GLY QA 1 70 GLY H 3.350 . 5.000 4.075 3.827 4.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
740 1 69 SER H 1 69 SER HA 2.407 . 3.114 2.922 2.903 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
741 1 69 SER H 1 69 SER QB 2.398 . 3.096 2.784 2.753 2.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 69 SER H 1 70 GLY H 3.112 . 4.524 2.409 2.338 2.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
743 1 69 SER H 1 71 THR H 2.948 . 4.196 4.132 3.889 4.239 0.043 32 0 "[ . 1 . 2 . 3 . 4]" 1
744 1 69 SER HA 1 69 SER QB 2.800 . 2.800 2.186 2.179 2.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
745 1 69 SER QB 1 70 GLY H 5.000 . 5.000 3.135 2.435 3.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
746 1 70 GLY H 1 71 THR H 2.888 . 4.076 2.083 1.962 2.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
747 1 70 GLY H 1 71 THR MG 5.000 . 5.000 4.197 4.179 4.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
748 1 70 GLY HA2 1 71 THR H 2.572 . 3.644 3.503 3.465 3.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
749 1 70 GLY HA3 1 71 THR H 2.572 . 3.644 2.979 2.897 3.118 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
750 1 71 THR H 1 71 THR HA 2.413 . 3.126 2.952 2.943 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
751 1 71 THR H 1 71 THR HB 2.747 . 3.794 3.719 3.679 3.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
752 1 71 THR H 1 71 THR MG 2.418 . 3.236 2.470 2.348 2.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
753 1 71 THR HA 1 71 THR HB 2.800 . 2.800 2.438 2.412 2.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
754 1 71 THR HA 1 71 THR MG 3.400 . 3.400 2.410 2.357 2.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
755 1 71 THR HA 1 72 VAL H 2.038 . 3.076 2.291 2.247 2.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
756 1 71 THR HB 1 72 VAL H 2.225 . 2.750 2.739 2.546 2.773 0.023 30 0 "[ . 1 . 2 . 3 . 4]" 1
757 1 72 VAL H 1 72 VAL HA 2.424 . 3.148 2.948 2.936 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
758 1 72 VAL H 1 72 VAL HB 2.192 . 2.684 2.607 2.413 2.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
759 1 72 VAL H 1 72 VAL MG1 2.398 . 4.696 3.829 3.755 3.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
760 1 72 VAL H 1 72 VAL MG2 2.398 . 4.696 2.413 2.242 2.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
761 1 72 VAL HA 1 73 ASP H 2.685 . 3.670 2.129 2.111 2.146 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
762 1 72 VAL HA 1 76 GLU QB 5.000 . 5.000 3.072 2.763 4.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
763 1 72 VAL HB 1 73 ASP H 5.000 . 5.000 4.252 4.162 4.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
764 1 72 VAL QG 1 76 GLU H 2.345 . 5.000 3.730 3.690 3.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
765 1 72 VAL QG 1 76 GLU QB 5.000 . 5.000 1.986 1.755 3.116 0.045 1 0 "[ . 1 . 2 . 3 . 4]" 1
766 1 72 VAL QG 1 77 PHE H 5.000 . 5.000 3.046 2.918 3.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
767 1 72 VAL QG 1 77 PHE QD 5.000 . 5.000 2.848 2.081 3.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
768 1 72 VAL MG1 1 73 ASP H 3.350 . 5.000 2.822 2.650 2.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
769 1 72 VAL MG1 1 76 GLU QB 5.000 . 5.000 2.011 1.760 3.337 0.040 1 0 "[ . 1 . 2 . 3 . 4]" 1
770 1 72 VAL MG2 1 73 ASP H 3.350 . 5.000 4.130 3.933 4.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
771 1 72 VAL MG2 1 76 GLU QB 5.000 . 5.000 3.629 3.410 3.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
772 1 73 ASP H 1 73 ASP HB2 3.350 . 5.000 2.499 2.351 2.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
773 1 73 ASP H 1 73 ASP HB3 3.350 . 5.000 3.635 3.596 3.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
774 1 73 ASP H 1 74 PHE H 5.000 . 5.000 4.547 4.506 4.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
775 1 73 ASP H 1 76 GLU H 3.350 . 5.000 3.567 3.464 3.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
776 1 73 ASP H 1 76 GLU HB2 3.350 . 5.000 2.867 2.467 4.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
777 1 73 ASP H 1 76 GLU HB3 3.350 . 5.000 4.065 3.822 4.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
778 1 73 ASP H 1 76 GLU QG 3.350 . 5.000 2.573 2.104 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
779 1 73 ASP HA 1 74 PHE H 2.266 . 2.832 2.547 2.455 2.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
780 1 73 ASP QB 1 75 ASP H 2.796 . 3.892 2.597 2.497 2.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
781 1 73 ASP HB2 1 74 PHE H 2.410 . 3.320 3.335 3.101 3.372 0.052 9 0 "[ . 1 . 2 . 3 . 4]" 1
782 1 73 ASP HB3 1 74 PHE H 2.410 . 3.320 2.195 2.006 2.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
783 1 74 PHE H 1 74 PHE HA 2.415 . 3.130 2.836 2.803 2.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
784 1 74 PHE H 1 74 PHE HB2 2.272 . 3.044 2.348 2.187 2.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
785 1 74 PHE H 1 74 PHE HB3 2.272 . 3.044 2.809 2.720 3.063 0.019 7 0 "[ . 1 . 2 . 3 . 4]" 1
786 1 74 PHE H 1 74 PHE QD 2.783 . 4.566 4.038 3.924 4.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
787 1 74 PHE H 1 75 ASP H 2.488 . 3.276 2.637 2.529 2.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
788 1 74 PHE HA 1 74 PHE QD 2.800 . 2.800 1.892 1.744 2.529 0.056 40 0 "[ . 1 . 2 . 3 . 4]" 1
789 1 74 PHE HA 1 74 PHE QE 5.000 . 5.000 4.098 4.056 4.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
790 1 74 PHE HA 1 75 ASP H 2.852 . 4.004 3.525 3.474 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
791 1 74 PHE HA 1 77 PHE H 2.573 . 3.446 3.158 2.944 3.460 0.014 35 0 "[ . 1 . 2 . 3 . 4]" 1
792 1 74 PHE HA 1 77 PHE QB 5.000 . 5.000 2.100 1.989 2.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
793 1 74 PHE HA 1 77 PHE QD 3.400 . 4.200 3.777 3.705 3.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
794 1 74 PHE QD 1 75 ASP H 3.027 . 4.954 4.460 4.296 4.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
795 1 74 PHE QD 1 77 PHE H 5.000 . 5.100 4.539 4.122 4.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
796 1 74 PHE QD 1 77 PHE QB . . 3.400 2.573 2.417 2.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
797 1 74 PHE QD 1 77 PHE QD 5.000 . 5.000 3.010 2.765 3.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
798 1 74 PHE QD 1 78 LEU QD 5.000 . 5.000 2.797 2.073 3.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
799 1 74 PHE QE 1 77 PHE QD 5.000 . 5.000 2.501 2.312 2.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
800 1 74 PHE QE 1 78 LEU QD 3.400 . 5.000 2.383 1.938 2.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
801 1 74 PHE QE 1 78 LEU HG 3.400 . 3.800 3.354 2.553 3.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
802 1 74 PHE HZ 1 78 LEU QD 5.000 . 5.000 2.511 2.239 3.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
803 1 74 PHE HZ 1 78 LEU HG 5.000 . 5.000 4.070 3.834 4.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
804 1 75 ASP H 1 75 ASP HA 2.409 . 3.118 2.846 2.828 2.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
805 1 75 ASP H 1 75 ASP HB2 2.388 . 3.476 2.204 2.161 2.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
806 1 75 ASP H 1 75 ASP HB3 2.388 . 3.476 3.501 3.472 3.585 0.109 33 0 "[ . 1 . 2 . 3 . 4]" 1
807 1 75 ASP H 1 76 GLU H 2.371 . 3.042 2.594 2.540 2.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
808 1 75 ASP H 1 76 GLU QG 2.907 . 4.114 3.726 3.684 3.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
809 1 75 ASP H 1 77 PHE H 3.044 . 4.388 3.706 3.577 3.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
810 1 75 ASP HA 1 78 LEU H 2.685 . 3.670 3.635 3.502 3.754 0.084 40 0 "[ . 1 . 2 . 3 . 4]" 1
811 1 75 ASP HA 1 78 LEU QD 5.000 . 5.400 3.054 2.304 4.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
812 1 75 ASP HA 1 78 LEU HG 5.000 . 5.000 4.353 3.562 5.084 0.084 17 0 "[ . 1 . 2 . 3 . 4]" 1
813 1 75 ASP QB 1 76 GLU H 2.495 . 3.290 2.671 2.374 2.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
814 1 76 GLU H 1 76 GLU HA 2.413 . 3.126 2.895 2.868 2.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
815 1 76 GLU H 1 76 GLU QB 2.345 . 2.990 2.664 2.614 2.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
816 1 76 GLU H 1 76 GLU HG2 2.480 . 3.460 2.881 1.757 3.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
817 1 76 GLU H 1 76 GLU HG3 2.480 . 3.460 2.045 1.825 3.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
818 1 76 GLU H 1 77 PHE H 2.416 . 3.132 2.370 2.287 2.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
819 1 76 GLU HA 1 77 PHE H 2.708 . 3.716 3.447 3.362 3.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
820 1 76 GLU HA 1 79 VAL H 2.695 . 3.890 3.569 3.292 3.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
821 1 76 GLU HB2 1 77 PHE H 2.641 . 4.182 3.150 2.901 4.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
822 1 76 GLU HB3 1 77 PHE H 2.641 . 4.182 4.187 4.063 4.354 0.172 39 0 "[ . 1 . 2 . 3 . 4]" 1
823 1 76 GLU QG 1 77 PHE H 2.821 . 4.141 3.644 2.684 3.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
824 1 77 PHE H 1 77 PHE HA 2.413 . 3.126 2.879 2.862 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
825 1 77 PHE H 1 77 PHE HB2 2.278 . 3.056 2.565 2.379 2.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
826 1 77 PHE H 1 77 PHE HB3 2.278 . 3.056 2.517 2.412 2.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
827 1 77 PHE H 1 78 LEU H 2.472 . 3.244 2.485 2.414 2.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
828 1 77 PHE H 1 78 LEU QB 2.345 . 5.000 4.475 4.402 4.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
829 1 77 PHE H 1 79 VAL H 2.702 . 4.504 4.022 3.906 4.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
830 1 77 PHE H 1 79 VAL QG 5.000 . 5.000 3.630 3.533 3.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
831 1 77 PHE HA 1 77 PHE QD 3.400 . 3.400 2.614 2.424 2.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
832 1 77 PHE HA 1 78 LEU H 2.820 . 3.940 3.549 3.503 3.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
833 1 77 PHE HA 1 79 VAL H 5.000 . 5.000 4.642 4.460 4.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
834 1 77 PHE HA 1 80 MET H 2.628 . 3.956 3.975 3.868 4.051 0.095 23 0 "[ . 1 . 2 . 3 . 4]" 1
835 1 77 PHE QB 1 78 LEU H 2.471 . 3.642 2.625 2.487 2.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
836 1 77 PHE QD 1 78 LEU QD 5.000 . 5.000 2.926 1.941 3.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
837 1 77 PHE QD 1 78 LEU HG 5.000 . 5.000 3.254 2.486 4.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
838 1 77 PHE QD 1 80 MET ME 5.000 . 5.000 2.808 2.130 3.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
839 1 78 LEU H 1 78 LEU HA 2.415 . 3.130 2.881 2.855 2.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
840 1 78 LEU H 1 78 LEU HB2 2.253 . 3.806 2.379 2.312 2.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
841 1 78 LEU H 1 78 LEU HB3 2.253 . 3.806 3.586 3.567 3.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
842 1 78 LEU H 1 78 LEU QD 2.598 . 3.896 2.923 2.371 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
843 1 78 LEU H 1 79 VAL H 2.338 . 3.222 2.546 2.382 2.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
844 1 78 LEU HA 1 79 VAL H 2.827 . 3.954 3.556 3.541 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
845 1 78 LEU HA 1 81 MET H 2.562 . 4.024 4.005 3.766 4.100 0.076 40 0 "[ . 1 . 2 . 3 . 4]" 1
846 1 78 LEU HA 1 81 MET QB 5.000 . 5.000 4.356 4.006 4.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
847 1 78 LEU HA 1 81 MET QG 5.000 . 5.000 4.159 2.914 4.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
848 1 78 LEU QB 1 79 VAL H 2.468 . 3.236 2.620 2.413 2.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
849 1 79 VAL H 1 79 VAL HA 2.409 . 3.118 2.807 2.788 2.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
850 1 79 VAL H 1 79 VAL HB 2.209 . 3.618 3.630 3.620 3.636 0.018 28 0 "[ . 1 . 2 . 3 . 4]" 1
851 1 79 VAL H 1 79 VAL MG1 2.677 . 4.454 2.334 2.168 2.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
852 1 79 VAL H 1 79 VAL MG2 2.677 . 4.454 1.906 1.842 1.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
853 1 79 VAL H 1 80 MET H 2.362 . 3.024 2.712 2.646 2.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
854 1 79 VAL H 1 80 MET QB 5.000 . 5.000 4.481 4.445 4.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
855 1 79 VAL H 1 81 MET H 2.932 . 4.564 4.567 4.483 4.612 0.048 38 0 "[ . 1 . 2 . 3 . 4]" 1
856 1 79 VAL HA 1 79 VAL MG2 3.400 . 5.000 3.194 3.181 3.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
857 1 79 VAL HA 1 80 MET H 2.704 . 3.708 3.484 3.441 3.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
858 1 79 VAL HA 1 82 VAL H 2.780 . 3.860 3.216 3.010 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
859 1 79 VAL HA 1 82 VAL QG 5.000 . 5.000 1.813 1.643 2.659 0.157 12 0 "[ . 1 . 2 . 3 . 4]" 1
860 1 79 VAL HA 1 83 ARG H 3.023 . 4.646 3.792 3.553 4.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
861 1 79 VAL HB 1 80 MET H 2.324 . 3.748 3.822 3.792 3.854 0.106 7 0 "[ . 1 . 2 . 3 . 4]" 1
862 1 79 VAL MG1 1 80 MET H 2.671 . 4.942 4.107 4.025 4.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
863 1 79 VAL MG2 1 80 MET H 2.671 . 4.942 2.286 2.196 2.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
864 1 80 MET H 1 80 MET HA 2.416 . 3.132 2.741 2.707 2.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
865 1 80 MET H 1 80 MET HB2 2.312 . 3.524 2.216 2.114 2.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
866 1 80 MET H 1 80 MET HB3 2.312 . 3.524 3.513 3.397 3.563 0.039 14 0 "[ . 1 . 2 . 3 . 4]" 1
867 1 80 MET H 1 80 MET QG 2.635 . 3.570 2.832 2.516 3.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
868 1 80 MET H 1 81 MET H 2.468 . 3.236 2.913 2.839 2.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
869 1 80 MET H 1 83 ARG QG 2.408 . 5.000 3.897 3.514 4.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
870 1 80 MET HA 1 81 MET H 2.720 . 3.740 3.542 3.508 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
871 1 80 MET HA 1 81 MET HA 5.000 . 5.000 4.751 4.694 4.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
872 1 80 MET HA 1 83 ARG H 2.791 . 3.882 3.847 3.401 3.956 0.074 25 0 "[ . 1 . 2 . 3 . 4]" 1
873 1 80 MET HA 1 84 CYS H 5.000 . 5.000 4.877 4.276 5.062 0.062 1 0 "[ . 1 . 2 . 3 . 4]" 1
874 1 80 MET HB2 1 81 MET H 2.551 . 4.102 3.018 2.867 3.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
875 1 80 MET HB3 1 81 MET H 2.551 . 4.102 3.333 3.102 3.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
876 1 80 MET QG 1 81 MET H 5.000 . 5.000 4.437 4.362 4.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
877 1 81 MET H 1 81 MET HA 2.412 . 3.124 2.877 2.773 2.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
878 1 81 MET H 1 81 MET HB2 2.557 . 3.914 2.477 2.137 3.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
879 1 81 MET H 1 81 MET HB3 2.557 . 3.914 3.414 2.564 3.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
880 1 81 MET H 1 81 MET HG2 2.530 . 4.460 2.962 2.271 3.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
881 1 81 MET H 1 81 MET HG3 2.530 . 4.460 3.358 2.137 3.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
882 1 81 MET H 1 82 VAL H 2.510 . 3.321 2.645 2.506 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
883 1 81 MET HA 1 84 CYS H 2.621 . 4.242 3.981 3.612 4.269 0.027 7 0 "[ . 1 . 2 . 3 . 4]" 1
884 1 81 MET QB 1 82 VAL H 2.524 . 3.848 2.586 2.243 3.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
885 1 81 MET QG 1 82 VAL H 5.000 . 5.000 3.820 1.786 4.287 0.014 20 0 "[ . 1 . 2 . 3 . 4]" 1
886 1 82 VAL H 1 82 VAL HA 2.409 . 3.118 2.856 2.812 2.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
887 1 82 VAL H 1 82 VAL HB 2.355 . 3.610 3.624 3.608 3.651 0.041 28 0 "[ . 1 . 2 . 3 . 4]" 1
888 1 82 VAL H 1 82 VAL MG1 2.359 . 3.818 2.465 2.203 2.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
889 1 82 VAL H 1 82 VAL MG2 2.359 . 3.818 1.890 1.810 2.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
890 1 82 VAL HA 1 83 ARG H 2.669 . 3.638 3.524 3.484 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
891 1 82 VAL HA 1 85 MET H 2.681 . 3.662 3.559 3.057 3.715 0.053 12 0 "[ . 1 . 2 . 3 . 4]" 1
892 1 82 VAL HB 1 83 ARG H 2.539 . 4.178 3.824 3.663 4.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
893 1 82 VAL QG 1 83 ARG H 2.717 . 3.734 2.183 2.048 2.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
894 1 82 VAL QG 1 84 CYS H 2.438 . 5.500 4.105 4.066 4.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
895 1 83 ARG H 1 83 ARG HA 2.410 . 3.120 2.822 2.790 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
896 1 83 ARG H 1 83 ARG QB 2.392 . 3.084 2.456 2.309 2.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
897 1 83 ARG H 1 83 ARG QD 3.015 . 4.730 4.155 3.686 4.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
898 1 83 ARG H 1 83 ARG HG2 2.431 . 3.362 2.702 2.277 3.377 0.015 28 0 "[ . 1 . 2 . 3 . 4]" 1
899 1 83 ARG H 1 83 ARG HG3 2.431 . 3.362 2.774 1.949 3.387 0.025 13 0 "[ . 1 . 2 . 3 . 4]" 1
900 1 83 ARG H 1 84 CYS H 2.398 . 3.096 2.673 2.564 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
901 1 83 ARG HA 1 84 CYS H 2.746 . 3.792 3.471 3.426 3.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
902 1 83 ARG HA 1 85 MET H 3.144 . 4.588 3.827 3.536 4.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
903 1 83 ARG HA 1 86 LYS H 3.092 . 4.700 3.956 3.159 4.744 0.044 30 0 "[ . 1 . 2 . 3 . 4]" 1
904 1 83 ARG QB 1 84 CYS H 2.585 . 4.170 3.351 2.696 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
905 1 83 ARG QG 1 84 CYS H 2.588 . 4.776 3.099 2.078 4.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
906 1 84 CYS H 1 84 CYS HA 2.409 . 3.119 2.846 2.804 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
907 1 84 CYS H 1 84 CYS QB 2.263 . 2.826 2.274 2.195 2.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
908 1 84 CYS H 1 85 MET H 2.374 . 3.048 2.601 2.339 2.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
909 1 84 CYS H 1 85 MET QB 5.000 . 5.000 4.465 4.241 4.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
910 1 84 CYS QB 1 85 MET H 2.606 . 3.512 2.940 2.619 3.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
911 1 85 MET H 1 85 MET HA 2.407 . 3.114 2.841 2.714 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
912 1 85 MET H 1 85 MET QB 2.331 . 3.262 2.253 2.088 2.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
913 1 85 MET H 1 85 MET HG2 2.754 . 4.208 3.453 2.129 4.333 0.125 19 0 "[ . 1 . 2 . 3 . 4]" 1
914 1 85 MET H 1 85 MET HG3 2.754 . 4.208 3.376 2.379 4.353 0.145 19 0 "[ . 1 . 2 . 3 . 4]" 1
915 1 85 MET H 1 86 LYS H 2.697 . 3.694 2.876 2.520 3.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
916 1 85 MET QB 1 86 LYS H 2.997 . 4.494 3.000 1.975 4.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
917 1 85 MET QG 1 86 LYS H 5.000 . 5.000 3.871 1.987 4.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
918 1 86 LYS H 1 86 LYS HA 2.404 . 3.108 2.699 2.282 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
919 1 86 LYS H 1 86 LYS QB 2.614 . 3.528 2.679 2.066 3.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
920 1 86 LYS H 1 86 LYS QD 5.000 . 5.000 4.109 2.578 4.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
921 1 86 LYS H 1 86 LYS QG 2.874 . 4.048 2.777 1.858 3.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
922 1 86 LYS H 1 87 ASP H 3.290 . 4.880 4.052 2.331 4.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
923 1 86 LYS HA 1 86 LYS QD 5.000 . 5.000 3.435 2.022 4.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
924 1 86 LYS HA 1 87 ASP H 2.687 . 3.674 2.623 2.136 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
925 1 86 LYS QB 1 87 ASP H 3.293 . 4.886 2.844 2.050 4.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
926 1 86 LYS QB 1 88 ASP H 2.345 . 5.000 3.926 2.310 4.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
927 1 86 LYS QG 1 87 ASP H 3.350 . 5.000 3.726 1.975 4.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
928 1 87 ASP H 1 87 ASP HB2 3.272 . 5.044 2.947 2.104 3.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
929 1 87 ASP H 1 87 ASP HB3 3.272 . 5.044 3.424 2.596 4.140 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
930 1 87 ASP QB 1 89 SER QB 5.000 . 5.000 3.724 2.756 4.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
931 1 88 ASP H 1 88 ASP HA 2.402 . 3.104 2.613 2.288 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
932 1 88 ASP H 1 88 ASP QB 3.293 . 4.886 2.752 2.225 3.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
933 1 88 ASP H 1 89 SER H 3.350 . 5.000 3.465 2.110 4.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
934 1 88 ASP HA 1 89 SER H 2.318 . 2.936 2.505 2.143 2.951 0.015 6 0 "[ . 1 . 2 . 3 . 4]" 1
935 1 89 SER H 1 89 SER HA 2.428 . 3.156 2.907 2.294 2.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
936 1 89 SER H 1 89 SER QB 2.345 . 5.000 2.705 2.285 3.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
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