NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
563951 |
2lux   |
18545 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lux
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 2121
_Distance_constraint_stats_list.Viol_count 1524
_Distance_constraint_stats_list.Viol_total 469.846
_Distance_constraint_stats_list.Viol_max 0.101
_Distance_constraint_stats_list.Viol_rms 0.0043
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0154
_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 1 GLY 0.023 0.023 7 0 "[ . 1 . 2]"
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.561 0.052 12 0 "[ . 1 . 2]"
1 4 LEU 0.991 0.073 3 0 "[ . 1 . 2]"
1 5 GLU 0.070 0.035 1 0 "[ . 1 . 2]"
1 6 THR 0.037 0.013 13 0 "[ . 1 . 2]"
1 7 ALA 0.079 0.060 9 0 "[ . 1 . 2]"
1 8 MET 0.606 0.045 5 0 "[ . 1 . 2]"
1 9 GLU 0.120 0.013 13 0 "[ . 1 . 2]"
1 10 THR 0.236 0.061 9 0 "[ . 1 . 2]"
1 11 LEU 0.575 0.021 10 0 "[ . 1 . 2]"
1 12 ILE 0.837 0.038 12 0 "[ . 1 . 2]"
1 13 ASN 0.007 0.004 11 0 "[ . 1 . 2]"
1 14 VAL 0.790 0.051 12 0 "[ . 1 . 2]"
1 15 PHE 0.050 0.007 19 0 "[ . 1 . 2]"
1 16 HIS 0.042 0.014 12 0 "[ . 1 . 2]"
1 17 ALA 0.174 0.014 18 0 "[ . 1 . 2]"
1 18 HIS 0.014 0.010 12 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.065 0.015 13 0 "[ . 1 . 2]"
1 21 LYS 0.328 0.016 12 0 "[ . 1 . 2]"
1 22 GLU 0.154 0.016 12 0 "[ . 1 . 2]"
1 25 LYS 0.065 0.015 13 0 "[ . 1 . 2]"
1 26 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LYS 0.098 0.014 7 0 "[ . 1 . 2]"
1 28 LEU 0.322 0.021 5 0 "[ . 1 . 2]"
1 29 SER 0.015 0.006 6 0 "[ . 1 . 2]"
1 30 LYS 1.058 0.069 2 0 "[ . 1 . 2]"
1 31 LYS 0.191 0.026 15 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 1.934 0.071 3 0 "[ . 1 . 2]"
1 35 GLU 0.251 0.065 5 0 "[ . 1 . 2]"
1 36 LEU 0.171 0.065 8 0 "[ . 1 . 2]"
1 37 LEU 0.218 0.065 8 0 "[ . 1 . 2]"
1 38 GLN 0.010 0.008 10 0 "[ . 1 . 2]"
1 39 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.029 0.011 9 0 "[ . 1 . 2]"
1 41 LEU 1.433 0.081 9 0 "[ . 1 . 2]"
1 42 SER 0.342 0.081 9 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 PHE 0.034 0.015 13 0 "[ . 1 . 2]"
1 45 LEU 0.055 0.015 13 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.119 0.028 14 0 "[ . 1 . 2]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.237 0.052 20 0 "[ . 1 . 2]"
1 52 ASP 0.086 0.052 20 0 "[ . 1 . 2]"
1 53 ALA 0.148 0.021 16 0 "[ . 1 . 2]"
1 54 VAL 0.128 0.026 17 0 "[ . 1 . 2]"
1 55 ASP 0.080 0.019 15 0 "[ . 1 . 2]"
1 56 LYS 0.311 0.101 6 0 "[ . 1 . 2]"
1 57 VAL 0.510 0.101 6 0 "[ . 1 . 2]"
1 58 MET 0.836 0.067 12 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 0.049 0.013 19 0 "[ . 1 . 2]"
1 61 LEU 0.324 0.022 1 0 "[ . 1 . 2]"
1 62 ASP 0.014 0.011 20 0 "[ . 1 . 2]"
1 63 GLU 0.052 0.025 17 0 "[ . 1 . 2]"
1 64 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLY 0.054 0.025 17 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLY 0.158 0.062 20 0 "[ . 1 . 2]"
1 68 GLU 0.124 0.014 7 0 "[ . 1 . 2]"
1 69 VAL 0.714 0.067 12 0 "[ . 1 . 2]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 PHE 0.110 0.025 16 0 "[ . 1 . 2]"
1 72 GLN 0.533 0.060 8 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TYR 0.420 0.021 5 0 "[ . 1 . 2]"
1 75 VAL 0.602 0.099 13 0 "[ . 1 . 2]"
1 76 VAL 0.455 0.022 1 0 "[ . 1 . 2]"
1 77 LEU 0.192 0.045 14 0 "[ . 1 . 2]"
1 78 VAL 0.427 0.045 14 0 "[ . 1 . 2]"
1 79 ALA 0.263 0.098 13 0 "[ . 1 . 2]"
1 80 ALA 0.331 0.066 13 0 "[ . 1 . 2]"
1 81 LEU 0.128 0.066 13 0 "[ . 1 . 2]"
1 82 THR 0.025 0.008 13 0 "[ . 1 . 2]"
1 83 VAL 0.345 0.030 4 0 "[ . 1 . 2]"
1 84 ALA 0.013 0.010 14 0 "[ . 1 . 2]"
1 85 MET 0.604 0.028 6 0 "[ . 1 . 2]"
1 86 ASN 0.666 0.047 7 0 "[ . 1 . 2]"
1 87 ASN 0.527 0.047 7 0 "[ . 1 . 2]"
1 88 PHE 0.019 0.013 6 0 "[ . 1 . 2]"
1 89 PHE 0.224 0.024 17 0 "[ . 1 . 2]"
1 90 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ASN 0.165 0.073 18 0 "[ . 1 . 2]"
1 93 SER 0.026 0.026 1 0 "[ . 1 . 2]"
2 1 GLY 0.022 0.022 7 0 "[ . 1 . 2]"
2 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 GLU 0.548 0.051 12 0 "[ . 1 . 2]"
2 4 LEU 1.001 0.073 3 0 "[ . 1 . 2]"
2 5 GLU 0.067 0.035 1 0 "[ . 1 . 2]"
2 6 THR 0.037 0.013 13 0 "[ . 1 . 2]"
2 7 ALA 0.081 0.061 9 0 "[ . 1 . 2]"
2 8 MET 0.558 0.044 5 0 "[ . 1 . 2]"
2 9 GLU 0.119 0.013 13 0 "[ . 1 . 2]"
2 10 THR 0.237 0.060 9 0 "[ . 1 . 2]"
2 11 LEU 0.600 0.031 12 0 "[ . 1 . 2]"
2 12 ILE 0.832 0.038 12 0 "[ . 1 . 2]"
2 13 ASN 0.007 0.004 9 0 "[ . 1 . 2]"
2 14 VAL 0.814 0.052 12 0 "[ . 1 . 2]"
2 15 PHE 0.050 0.007 14 0 "[ . 1 . 2]"
2 16 HIS 0.042 0.015 12 0 "[ . 1 . 2]"
2 17 ALA 0.162 0.014 18 0 "[ . 1 . 2]"
2 18 HIS 0.012 0.011 12 0 "[ . 1 . 2]"
2 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 GLY 0.066 0.014 13 0 "[ . 1 . 2]"
2 21 LYS 0.316 0.016 11 0 "[ . 1 . 2]"
2 22 GLU 0.154 0.016 11 0 "[ . 1 . 2]"
2 25 LYS 0.066 0.014 13 0 "[ . 1 . 2]"
2 26 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 LYS 0.101 0.014 7 0 "[ . 1 . 2]"
2 28 LEU 0.318 0.021 5 0 "[ . 1 . 2]"
2 29 SER 0.015 0.006 6 0 "[ . 1 . 2]"
2 30 LYS 1.063 0.068 2 0 "[ . 1 . 2]"
2 31 LYS 0.192 0.027 15 0 "[ . 1 . 2]"
2 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 LYS 1.934 0.072 3 0 "[ . 1 . 2]"
2 35 GLU 0.247 0.065 5 0 "[ . 1 . 2]"
2 36 LEU 0.166 0.066 8 0 "[ . 1 . 2]"
2 37 LEU 0.219 0.066 8 0 "[ . 1 . 2]"
2 38 GLN 0.009 0.008 10 0 "[ . 1 . 2]"
2 39 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 GLU 0.029 0.011 7 0 "[ . 1 . 2]"
2 41 LEU 1.431 0.081 9 0 "[ . 1 . 2]"
2 42 SER 0.341 0.081 9 0 "[ . 1 . 2]"
2 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 44 PHE 0.034 0.015 13 0 "[ . 1 . 2]"
2 45 LEU 0.055 0.015 13 0 "[ . 1 . 2]"
2 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 ALA 0.118 0.028 14 0 "[ . 1 . 2]"
2 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 VAL 0.236 0.053 20 0 "[ . 1 . 2]"
2 52 ASP 0.086 0.053 20 0 "[ . 1 . 2]"
2 53 ALA 0.149 0.021 16 0 "[ . 1 . 2]"
2 54 VAL 0.130 0.026 17 0 "[ . 1 . 2]"
2 55 ASP 0.082 0.018 15 0 "[ . 1 . 2]"
2 56 LYS 0.310 0.100 6 0 "[ . 1 . 2]"
2 57 VAL 0.508 0.100 6 0 "[ . 1 . 2]"
2 58 MET 0.836 0.066 12 0 "[ . 1 . 2]"
2 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 60 GLU 0.047 0.012 19 0 "[ . 1 . 2]"
2 61 LEU 0.322 0.022 19 0 "[ . 1 . 2]"
2 62 ASP 0.013 0.010 20 0 "[ . 1 . 2]"
2 63 GLU 0.056 0.027 17 0 "[ . 1 . 2]"
2 64 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 65 GLY 0.059 0.027 17 0 "[ . 1 . 2]"
2 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 GLY 0.157 0.061 20 0 "[ . 1 . 2]"
2 68 GLU 0.127 0.014 7 0 "[ . 1 . 2]"
2 69 VAL 0.714 0.066 12 0 "[ . 1 . 2]"
2 70 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 71 PHE 0.484 0.028 14 0 "[ . 1 . 2]"
2 72 GLN 0.517 0.058 8 0 "[ . 1 . 2]"
2 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 74 TYR 0.382 0.021 5 0 "[ . 1 . 2]"
2 75 VAL 0.795 0.098 13 0 "[ . 1 . 2]"
2 76 VAL 0.460 0.022 19 0 "[ . 1 . 2]"
2 77 LEU 0.193 0.045 14 0 "[ . 1 . 2]"
2 78 VAL 0.428 0.045 14 0 "[ . 1 . 2]"
2 79 ALA 0.263 0.099 13 0 "[ . 1 . 2]"
2 80 ALA 0.345 0.065 13 0 "[ . 1 . 2]"
2 81 LEU 0.128 0.065 13 0 "[ . 1 . 2]"
2 82 THR 0.025 0.008 13 0 "[ . 1 . 2]"
2 83 VAL 0.201 0.031 4 0 "[ . 1 . 2]"
2 84 ALA 0.015 0.011 14 0 "[ . 1 . 2]"
2 85 MET 0.600 0.029 6 0 "[ . 1 . 2]"
2 86 ASN 0.677 0.047 7 0 "[ . 1 . 2]"
2 87 ASN 0.532 0.047 7 0 "[ . 1 . 2]"
2 88 PHE 0.019 0.013 6 0 "[ . 1 . 2]"
2 89 PHE 0.220 0.023 17 0 "[ . 1 . 2]"
2 90 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 91 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 92 ASN 0.165 0.073 18 0 "[ . 1 . 2]"
2 93 SER 0.027 0.027 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU HA 2 10 THR MG 4.500 . 5.000 4.069 3.765 4.743 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU QB 2 10 THR MG 3.800 . 4.300 2.683 2.132 3.863 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLU HB3 2 10 THR MG 4.500 . 5.000 2.767 2.198 4.052 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLU HB2 2 10 THR MG 4.500 . 5.000 3.655 2.870 4.870 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLU QG 2 10 THR MG 3.800 . 4.300 3.668 2.070 4.144 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLU HG3 2 10 THR MG 4.500 . 5.000 4.437 2.459 5.038 0.038 9 0 "[ . 1 . 2]" 1
7 1 3 GLU HG2 2 10 THR MG 4.500 . 5.000 4.031 2.089 5.013 0.013 6 0 "[ . 1 . 2]" 1
8 1 3 GLU QB 2 14 VAL MG1 4.500 . 5.000 2.876 2.347 3.631 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLU HB3 2 14 VAL MG1 4.500 . 5.000 3.538 3.225 4.420 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLU HB2 2 14 VAL MG1 4.500 . 5.000 3.246 2.392 5.004 0.004 18 0 "[ . 1 . 2]" 1
11 1 3 GLU QG 2 14 VAL MG1 4.500 . 5.000 4.082 3.603 4.320 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLU HG3 2 14 VAL MG1 4.500 . 5.000 4.630 3.984 5.043 0.043 7 0 "[ . 1 . 2]" 1
13 1 3 GLU HG2 2 14 VAL MG1 4.500 . 5.000 4.697 3.863 5.052 0.052 12 0 "[ . 1 . 2]" 1
14 1 4 LEU HA 2 10 THR HB 4.500 . 5.000 4.534 3.380 5.013 0.013 4 0 "[ . 1 . 2]" 1
15 1 4 LEU HA 2 10 THR MG 3.800 . 4.300 3.053 2.541 4.325 0.025 9 0 "[ . 1 . 2]" 1
16 1 4 LEU QD 2 11 LEU HB2 5.200 . 5.700 5.059 4.749 5.707 0.007 13 0 "[ . 1 . 2]" 1
17 1 4 LEU QD 2 14 VAL HB 4.500 . 5.000 3.886 2.823 4.157 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU HA 2 14 VAL MG1 4.500 . 5.000 3.696 3.395 4.404 . 0 0 "[ . 1 . 2]" 1
19 1 4 LEU QB 2 14 VAL MG1 3.800 . 4.300 3.224 2.429 4.039 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU H 2 14 VAL MG1 4.500 . 5.000 3.658 2.860 4.399 . 0 0 "[ . 1 . 2]" 1
21 1 4 LEU QB 2 14 VAL MG2 3.800 . 4.300 3.383 2.678 4.192 . 0 0 "[ . 1 . 2]" 1
22 1 4 LEU QD 2 14 VAL MG2 3.800 . 4.300 2.266 1.780 2.497 0.020 12 0 "[ . 1 . 2]" 1
23 1 4 LEU MD1 2 14 VAL MG2 4.500 . 5.000 2.299 2.028 2.534 . 0 0 "[ . 1 . 2]" 1
24 1 4 LEU MD2 2 14 VAL MG2 4.500 . 5.000 3.778 1.971 4.474 . 0 0 "[ . 1 . 2]" 1
25 1 4 LEU HG 2 14 VAL MG2 4.500 . 5.000 4.836 3.644 5.044 0.044 18 0 "[ . 1 . 2]" 1
26 1 4 LEU QB 2 40 GLU QB 3.800 . 4.300 2.477 2.019 3.565 . 0 0 "[ . 1 . 2]" 1
27 1 4 LEU QD 2 40 GLU QB 3.800 . 4.300 2.402 1.978 3.814 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU QD 2 41 LEU QD 4.500 . 5.000 2.892 2.576 4.102 . 0 0 "[ . 1 . 2]" 1
29 1 4 LEU QD 2 41 LEU HG 4.500 . 5.000 4.833 3.379 5.073 0.073 3 0 "[ . 1 . 2]" 1
30 1 4 LEU QD 2 74 TYR HE2 4.500 . 5.000 3.592 3.003 4.005 . 0 0 "[ . 1 . 2]" 1
31 1 4 LEU MD1 2 74 TYR HE2 5.200 . 5.700 3.730 3.026 4.253 . 0 0 "[ . 1 . 2]" 1
32 1 4 LEU MD2 2 74 TYR HE2 5.200 . 5.700 4.823 4.037 5.498 . 0 0 "[ . 1 . 2]" 1
33 1 4 LEU QD 2 78 VAL HB 5.200 . 5.700 3.150 2.462 4.442 . 0 0 "[ . 1 . 2]" 1
34 1 4 LEU QD 2 78 VAL MG1 3.800 . 4.300 2.719 2.268 3.551 . 0 0 "[ . 1 . 2]" 1
35 1 4 LEU MD1 2 78 VAL MG1 4.500 . 5.000 3.067 2.485 3.996 . 0 0 "[ . 1 . 2]" 1
36 1 4 LEU MD2 2 78 VAL MG1 4.500 . 5.000 3.147 2.450 4.795 . 0 0 "[ . 1 . 2]" 1
37 1 4 LEU QD 2 78 VAL MG2 3.800 . 4.300 3.487 2.808 4.327 0.027 12 0 "[ . 1 . 2]" 1
38 1 5 GLU HA 2 41 LEU QD 4.500 . 5.000 4.196 3.370 5.035 0.035 1 0 "[ . 1 . 2]" 1
39 1 5 GLU QG 2 41 LEU QD 3.800 . 4.300 3.567 2.300 4.310 0.010 11 0 "[ . 1 . 2]" 1
40 1 7 ALA HA 2 10 THR HB 4.500 . 5.000 4.656 4.263 5.060 0.060 9 0 "[ . 1 . 2]" 1
41 1 7 ALA MB 2 10 THR HB 3.800 . 4.300 2.327 2.122 2.808 . 0 0 "[ . 1 . 2]" 1
42 1 7 ALA HA 2 10 THR MG 4.500 . 5.000 4.267 3.464 4.735 . 0 0 "[ . 1 . 2]" 1
43 1 7 ALA MB 2 10 THR MG 3.800 . 4.300 2.251 2.017 2.655 . 0 0 "[ . 1 . 2]" 1
44 1 7 ALA H 2 10 THR MG 4.500 . 5.000 3.674 3.379 4.045 . 0 0 "[ . 1 . 2]" 1
45 1 7 ALA MB 2 10 THR H 4.500 . 5.000 4.094 3.826 4.509 . 0 0 "[ . 1 . 2]" 1
46 1 7 ALA MB 2 11 LEU HG 4.500 . 5.000 3.954 3.645 4.357 . 0 0 "[ . 1 . 2]" 1
47 1 8 MET ME 2 41 LEU HA 4.500 . 5.000 4.850 3.965 5.045 0.045 5 0 "[ . 1 . 2]" 1
48 1 8 MET ME 2 41 LEU QD 2.800 . 3.300 2.688 2.307 3.073 . 0 0 "[ . 1 . 2]" 1
49 1 8 MET ME 2 41 LEU MD1 3.800 . 4.300 3.060 2.316 4.343 0.043 7 0 "[ . 1 . 2]" 1
50 1 8 MET ME 2 41 LEU MD2 3.800 . 4.300 3.855 2.553 4.327 0.027 6 0 "[ . 1 . 2]" 1
51 1 8 MET ME 2 82 THR HA 3.800 . 4.300 2.995 2.567 3.535 . 0 0 "[ . 1 . 2]" 1
52 1 8 MET QG 2 82 THR HA 5.200 . 5.700 3.517 2.933 4.940 . 0 0 "[ . 1 . 2]" 1
53 1 8 MET ME 2 82 THR HB 5.200 . 5.700 4.900 4.403 5.704 0.004 13 0 "[ . 1 . 2]" 1
54 1 8 MET HB2 2 82 THR MG 3.800 . 4.300 3.787 2.017 4.225 . 0 0 "[ . 1 . 2]" 1
55 1 10 THR MG 2 3 GLU HA 4.500 . 5.000 4.068 3.764 4.744 . 0 0 "[ . 1 . 2]" 1
56 1 10 THR MG 2 3 GLU QB 3.800 . 4.300 2.683 2.131 3.863 . 0 0 "[ . 1 . 2]" 1
57 1 10 THR MG 2 3 GLU HB3 4.500 . 5.000 2.767 2.198 4.051 . 0 0 "[ . 1 . 2]" 1
58 1 10 THR MG 2 3 GLU HB2 4.500 . 5.000 3.654 2.867 4.871 . 0 0 "[ . 1 . 2]" 1
59 1 10 THR MG 2 3 GLU QG 3.800 . 4.300 3.668 2.070 4.144 . 0 0 "[ . 1 . 2]" 1
60 1 10 THR MG 2 3 GLU HG3 4.500 . 5.000 4.436 2.459 5.037 0.037 9 0 "[ . 1 . 2]" 1
61 1 10 THR MG 2 3 GLU HG2 4.500 . 5.000 4.030 2.088 5.013 0.013 6 0 "[ . 1 . 2]" 1
62 1 10 THR HB 2 4 LEU HA 4.500 . 5.000 4.533 3.379 5.013 0.013 4 0 "[ . 1 . 2]" 1
63 1 10 THR MG 2 4 LEU HA 3.800 . 4.300 3.052 2.539 4.325 0.025 9 0 "[ . 1 . 2]" 1
64 1 10 THR HB 2 7 ALA HA 4.500 . 5.000 4.656 4.262 5.061 0.061 9 0 "[ . 1 . 2]" 1
65 1 10 THR MG 2 7 ALA HA 4.500 . 5.000 4.267 3.464 4.736 . 0 0 "[ . 1 . 2]" 1
66 1 10 THR HB 2 7 ALA MB 3.800 . 4.300 2.327 2.122 2.808 . 0 0 "[ . 1 . 2]" 1
67 1 10 THR MG 2 7 ALA MB 3.800 . 4.300 2.251 2.016 2.655 . 0 0 "[ . 1 . 2]" 1
68 1 10 THR H 2 7 ALA MB 4.500 . 5.000 4.094 3.826 4.509 . 0 0 "[ . 1 . 2]" 1
69 1 10 THR MG 2 7 ALA H 4.500 . 5.000 3.674 3.378 4.045 . 0 0 "[ . 1 . 2]" 1
70 1 11 LEU HB2 2 4 LEU QD 5.200 . 5.700 5.059 4.751 5.707 0.007 13 0 "[ . 1 . 2]" 1
71 1 11 LEU HG 2 7 ALA MB 4.500 . 5.000 3.954 3.646 4.357 . 0 0 "[ . 1 . 2]" 1
72 1 12 ILE MD 2 82 THR MG 3.800 . 4.300 3.507 3.124 3.905 . 0 0 "[ . 1 . 2]" 1
73 1 12 ILE MG 2 82 THR MG 5.200 . 5.700 5.384 4.993 5.701 0.001 19 0 "[ . 1 . 2]" 1
74 1 12 ILE H 2 82 THR MG 4.500 . 5.000 4.668 4.071 5.008 0.008 19 0 "[ . 1 . 2]" 1
75 1 12 ILE MD 2 85 MET QB 4.500 . 5.000 2.895 2.083 3.496 . 0 0 "[ . 1 . 2]" 1
76 1 12 ILE MD 2 85 MET ME 5.200 . 5.700 2.668 1.771 4.097 0.029 6 0 "[ . 1 . 2]" 1
77 1 12 ILE MD 2 85 MET QG 4.500 . 5.000 3.161 2.207 3.801 . 0 0 "[ . 1 . 2]" 1
78 1 12 ILE MD 2 85 MET HG3 4.500 . 5.000 3.902 2.656 5.020 0.020 6 0 "[ . 1 . 2]" 1
79 1 12 ILE MD 2 85 MET HG2 4.500 . 5.000 3.496 2.358 4.866 . 0 0 "[ . 1 . 2]" 1
80 1 12 ILE MD 2 86 ASN HA 4.500 . 5.000 3.173 3.018 3.494 . 0 0 "[ . 1 . 2]" 1
81 1 12 ILE MG 2 86 ASN HA 5.200 . 5.700 4.291 3.527 4.733 . 0 0 "[ . 1 . 2]" 1
82 1 12 ILE MD 2 86 ASN QB 3.800 . 4.300 3.522 3.093 4.211 . 0 0 "[ . 1 . 2]" 1
83 1 12 ILE MD 2 86 ASN HB3 4.500 . 5.000 4.697 3.226 5.029 0.029 13 0 "[ . 1 . 2]" 1
84 1 12 ILE MD 2 86 ASN HB2 4.500 . 5.000 3.764 3.252 5.003 0.003 7 0 "[ . 1 . 2]" 1
85 1 12 ILE MD 2 86 ASN H 4.500 . 5.000 3.788 3.554 3.987 . 0 0 "[ . 1 . 2]" 1
86 1 12 ILE MD 2 87 ASN H 5.200 . 5.700 5.690 5.530 5.738 0.038 12 0 "[ . 1 . 2]" 1
87 1 14 VAL MG1 2 3 GLU QB 4.500 . 5.000 2.876 2.345 3.630 . 0 0 "[ . 1 . 2]" 1
88 1 14 VAL MG1 2 3 GLU HB3 4.500 . 5.000 3.538 3.227 4.421 . 0 0 "[ . 1 . 2]" 1
89 1 14 VAL MG1 2 3 GLU HB2 4.500 . 5.000 3.245 2.390 5.004 0.004 18 0 "[ . 1 . 2]" 1
90 1 14 VAL MG1 2 3 GLU QG 4.500 . 5.000 4.082 3.602 4.318 . 0 0 "[ . 1 . 2]" 1
91 1 14 VAL MG1 2 3 GLU HG3 4.500 . 5.000 4.629 3.982 5.044 0.044 7 0 "[ . 1 . 2]" 1
92 1 14 VAL MG1 2 3 GLU HG2 4.500 . 5.000 4.696 3.862 5.051 0.051 12 0 "[ . 1 . 2]" 1
93 1 14 VAL MG1 2 4 LEU HA 4.500 . 5.000 3.695 3.394 4.403 . 0 0 "[ . 1 . 2]" 1
94 1 14 VAL MG1 2 4 LEU QB 3.800 . 4.300 3.223 2.428 4.039 . 0 0 "[ . 1 . 2]" 1
95 1 14 VAL MG2 2 4 LEU QB 3.800 . 4.300 3.382 2.675 4.193 . 0 0 "[ . 1 . 2]" 1
96 1 14 VAL HB 2 4 LEU QD 4.500 . 5.000 3.885 2.823 4.157 . 0 0 "[ . 1 . 2]" 1
97 1 14 VAL MG2 2 4 LEU QD 3.800 . 4.300 2.265 1.781 2.497 0.019 12 0 "[ . 1 . 2]" 1
98 1 14 VAL MG2 2 4 LEU MD1 4.500 . 5.000 2.298 2.028 2.532 . 0 0 "[ . 1 . 2]" 1
99 1 14 VAL MG2 2 4 LEU MD2 4.500 . 5.000 3.776 1.972 4.471 . 0 0 "[ . 1 . 2]" 1
100 1 14 VAL MG2 2 4 LEU HG 4.500 . 5.000 4.835 3.644 5.043 0.043 3 0 "[ . 1 . 2]" 1
101 1 14 VAL MG1 2 4 LEU H 4.500 . 5.000 3.657 2.858 4.398 . 0 0 "[ . 1 . 2]" 1
102 1 40 GLU QB 2 4 LEU QB 3.800 . 4.300 2.477 2.018 3.564 . 0 0 "[ . 1 . 2]" 1
103 1 40 GLU QB 2 4 LEU QD 3.800 . 4.300 2.402 1.978 3.814 . 0 0 "[ . 1 . 2]" 1
104 1 41 LEU QD 2 4 LEU QD 4.500 . 5.000 2.893 2.576 4.102 . 0 0 "[ . 1 . 2]" 1
105 1 41 LEU HG 2 4 LEU QD 4.500 . 5.000 4.834 3.380 5.073 0.073 3 0 "[ . 1 . 2]" 1
106 1 41 LEU QD 2 5 GLU HA 4.500 . 5.000 4.195 3.369 5.035 0.035 1 0 "[ . 1 . 2]" 1
107 1 41 LEU QD 2 5 GLU QG 3.800 . 4.300 3.567 2.299 4.310 0.010 11 0 "[ . 1 . 2]" 1
108 1 41 LEU HA 2 8 MET ME 4.500 . 5.000 4.849 3.966 5.044 0.044 5 0 "[ . 1 . 2]" 1
109 1 41 LEU QD 2 8 MET ME 2.800 . 3.300 2.688 2.307 3.073 . 0 0 "[ . 1 . 2]" 1
110 1 41 LEU MD1 2 8 MET ME 3.800 . 4.300 3.059 2.316 4.344 0.044 7 0 "[ . 1 . 2]" 1
111 1 41 LEU MD2 2 8 MET ME 3.800 . 4.300 3.854 2.552 4.326 0.026 6 0 "[ . 1 . 2]" 1
112 1 71 PHE HE2 2 82 THR MG 3.800 . 4.300 2.728 2.408 3.051 . 0 0 "[ . 1 . 2]" 1
113 1 71 PHE HD2 2 83 VAL HA 4.500 . 5.000 3.232 3.036 3.429 . 0 0 "[ . 1 . 2]" 1
114 1 71 PHE HE2 2 83 VAL HA 3.800 . 4.300 2.432 2.262 2.827 . 0 0 "[ . 1 . 2]" 1
115 1 71 PHE HD2 2 83 VAL MG1 4.500 . 5.000 3.084 2.947 3.239 . 0 0 "[ . 1 . 2]" 1
116 1 71 PHE HE2 2 83 VAL MG1 4.500 . 5.000 3.926 3.653 4.165 . 0 0 "[ . 1 . 2]" 1
117 1 71 PHE HA 2 83 VAL MG2 5.200 . 5.700 5.581 5.431 5.679 . 0 0 "[ . 1 . 2]" 1
118 1 71 PHE HD2 2 83 VAL MG2 3.800 . 4.300 2.594 2.349 2.833 . 0 0 "[ . 1 . 2]" 1
119 1 71 PHE HE2 2 83 VAL MG2 4.500 . 5.000 2.915 2.469 3.179 . 0 0 "[ . 1 . 2]" 1
120 1 71 PHE HE2 2 86 ASN QD 4.500 . 5.000 4.645 1.800 5.025 0.025 16 0 "[ . 1 . 2]" 1
121 1 72 GLN HA 2 80 ALA HA 5.200 . 5.700 5.690 5.461 5.760 0.060 8 0 "[ . 1 . 2]" 1
122 1 72 GLN QE 2 83 VAL HB 4.500 . 5.000 4.395 3.978 5.031 0.031 4 0 "[ . 1 . 2]" 1
123 1 72 GLN HA 2 83 VAL MG1 5.200 . 5.700 3.675 3.522 3.874 . 0 0 "[ . 1 . 2]" 1
124 1 72 GLN QB 2 83 VAL MG1 4.500 . 5.000 3.110 2.943 3.341 . 0 0 "[ . 1 . 2]" 1
125 1 72 GLN HA 2 83 VAL MG2 3.800 . 4.300 2.273 2.174 2.416 . 0 0 "[ . 1 . 2]" 1
126 1 72 GLN QB 2 83 VAL MG2 4.500 . 5.000 3.101 2.838 3.273 . 0 0 "[ . 1 . 2]" 1
127 1 72 GLN HG3 2 83 VAL MG2 4.500 . 5.000 2.243 2.154 2.420 . 0 0 "[ . 1 . 2]" 1
128 1 72 GLN HG2 2 83 VAL MG2 4.500 . 5.000 3.617 3.525 3.769 . 0 0 "[ . 1 . 2]" 1
129 1 72 GLN H 2 83 VAL MG2 4.500 . 5.000 4.098 3.933 4.332 . 0 0 "[ . 1 . 2]" 1
130 1 74 TYR HE2 2 4 LEU QD 4.500 . 5.000 3.591 3.001 4.006 . 0 0 "[ . 1 . 2]" 1
131 1 74 TYR HE2 2 4 LEU MD1 5.200 . 5.700 3.729 3.024 4.253 . 0 0 "[ . 1 . 2]" 1
132 1 74 TYR HE2 2 4 LEU MD2 5.200 . 5.700 4.822 4.033 5.494 . 0 0 "[ . 1 . 2]" 1
133 1 75 VAL MG1 2 79 ALA HA 4.500 . 5.000 3.279 2.442 3.524 . 0 0 "[ . 1 . 2]" 1
134 1 75 VAL MG2 2 79 ALA HA 4.500 . 5.000 2.487 2.175 3.511 . 0 0 "[ . 1 . 2]" 1
135 1 75 VAL HA 2 79 ALA MB 4.500 . 5.000 4.070 3.838 4.389 . 0 0 "[ . 1 . 2]" 1
136 1 75 VAL HB 2 79 ALA MB 4.500 . 5.000 4.220 4.105 4.485 . 0 0 "[ . 1 . 2]" 1
137 1 75 VAL MG1 2 79 ALA MB 3.800 . 4.300 2.050 1.820 2.199 . 0 0 "[ . 1 . 2]" 1
138 1 75 VAL MG2 2 79 ALA MB 3.800 . 4.300 2.333 2.058 3.602 . 0 0 "[ . 1 . 2]" 1
139 1 75 VAL MG1 2 79 ALA H 5.200 . 5.700 4.806 4.220 5.096 . 0 0 "[ . 1 . 2]" 1
140 1 75 VAL MG2 2 79 ALA H 5.200 . 5.700 4.702 4.377 5.799 0.099 13 0 "[ . 1 . 2]" 1
141 1 75 VAL MG1 2 82 THR HB 4.500 . 5.000 3.508 2.798 3.747 . 0 0 "[ . 1 . 2]" 1
142 1 75 VAL MG2 2 82 THR HB 4.500 . 5.000 2.251 2.140 2.724 . 0 0 "[ . 1 . 2]" 1
143 1 75 VAL MG1 2 82 THR MG 4.500 . 5.000 4.101 3.603 4.317 . 0 0 "[ . 1 . 2]" 1
144 1 75 VAL MG2 2 82 THR MG 4.500 . 5.000 2.464 2.112 2.657 . 0 0 "[ . 1 . 2]" 1
145 1 75 VAL HB 2 83 VAL MG2 4.500 . 5.000 3.272 2.924 3.478 . 0 0 "[ . 1 . 2]" 1
146 1 75 VAL MG1 2 83 VAL MG2 3.800 . 4.300 2.163 2.025 2.669 . 0 0 "[ . 1 . 2]" 1
147 1 75 VAL MG2 2 83 VAL MG2 3.800 . 4.300 3.090 2.392 3.376 . 0 0 "[ . 1 . 2]" 1
148 1 76 VAL HA 2 79 ALA MB 3.800 . 4.300 2.871 2.645 3.412 . 0 0 "[ . 1 . 2]" 1
149 1 78 VAL HB 2 4 LEU QD 5.200 . 5.700 3.150 2.464 4.444 . 0 0 "[ . 1 . 2]" 1
150 1 78 VAL MG1 2 4 LEU QD 3.800 . 4.300 2.719 2.267 3.552 . 0 0 "[ . 1 . 2]" 1
151 1 78 VAL MG2 2 4 LEU QD 3.800 . 4.300 3.487 2.807 4.328 0.028 12 0 "[ . 1 . 2]" 1
152 1 78 VAL MG1 2 4 LEU MD1 4.500 . 5.000 3.067 2.485 3.997 . 0 0 "[ . 1 . 2]" 1
153 1 78 VAL MG1 2 4 LEU MD2 4.500 . 5.000 3.146 2.449 4.796 . 0 0 "[ . 1 . 2]" 1
154 1 79 ALA MB 2 75 VAL HA 4.500 . 5.000 4.070 3.838 4.389 . 0 0 "[ . 1 . 2]" 1
155 1 79 ALA MB 2 75 VAL HB 4.500 . 5.000 4.222 4.108 4.485 . 0 0 "[ . 1 . 2]" 1
156 1 79 ALA HA 2 75 VAL MG1 4.500 . 5.000 3.277 2.442 3.525 . 0 0 "[ . 1 . 2]" 1
157 1 79 ALA MB 2 75 VAL MG1 2.800 . 3.300 2.049 1.820 2.198 . 0 0 "[ . 1 . 2]" 1
158 1 79 ALA H 2 75 VAL MG1 5.200 . 5.700 4.805 4.220 5.096 . 0 0 "[ . 1 . 2]" 1
159 1 79 ALA HA 2 75 VAL MG2 3.800 . 4.300 2.492 2.183 3.510 . 0 0 "[ . 1 . 2]" 1
160 1 79 ALA MB 2 75 VAL MG2 3.800 . 4.300 2.339 2.066 3.602 . 0 0 "[ . 1 . 2]" 1
161 1 79 ALA H 2 75 VAL MG2 5.200 . 5.700 4.708 4.386 5.798 0.098 13 0 "[ . 1 . 2]" 1
162 1 79 ALA MB 2 76 VAL HA 3.800 . 4.300 2.871 2.646 3.413 . 0 0 "[ . 1 . 2]" 1
163 1 80 ALA HA 2 72 GLN HA 5.200 . 5.700 5.688 5.460 5.758 0.058 8 0 "[ . 1 . 2]" 1
164 1 82 THR MG 2 8 MET HB2 3.800 . 4.300 3.787 2.016 4.225 . 0 0 "[ . 1 . 2]" 1
165 1 82 THR HA 2 8 MET ME 3.800 . 4.300 2.995 2.568 3.536 . 0 0 "[ . 1 . 2]" 1
166 1 82 THR HB 2 8 MET ME 5.200 . 5.700 4.900 4.404 5.705 0.005 13 0 "[ . 1 . 2]" 1
167 1 82 THR HA 2 8 MET QG 5.200 . 5.700 3.517 2.935 4.941 . 0 0 "[ . 1 . 2]" 1
168 1 82 THR MG 2 12 ILE MD 3.800 . 4.300 3.506 3.124 3.904 . 0 0 "[ . 1 . 2]" 1
169 1 82 THR MG 2 12 ILE MG 5.200 . 5.700 5.384 4.993 5.700 . 0 0 "[ . 1 . 2]" 1
170 1 82 THR MG 2 12 ILE H 4.500 . 5.000 4.667 4.070 5.006 0.006 19 0 "[ . 1 . 2]" 1
171 1 82 THR MG 2 71 PHE HE2 3.800 . 4.300 2.728 2.409 3.051 . 0 0 "[ . 1 . 2]" 1
172 1 82 THR HB 2 75 VAL MG1 4.500 . 5.000 3.507 2.798 3.745 . 0 0 "[ . 1 . 2]" 1
173 1 82 THR MG 2 75 VAL MG1 4.500 . 5.000 4.100 3.602 4.316 . 0 0 "[ . 1 . 2]" 1
174 1 82 THR HB 2 75 VAL MG2 4.500 . 5.000 2.250 2.136 2.724 . 0 0 "[ . 1 . 2]" 1
175 1 82 THR MG 2 75 VAL MG2 3.800 . 4.300 2.462 2.110 2.657 . 0 0 "[ . 1 . 2]" 1
176 1 83 VAL MG2 2 71 PHE HA 5.200 . 5.700 5.579 5.429 5.675 . 0 0 "[ . 1 . 2]" 1
177 1 83 VAL HA 2 71 PHE HD2 4.500 . 5.000 3.228 3.033 3.426 . 0 0 "[ . 1 . 2]" 1
178 1 83 VAL MG1 2 71 PHE HD2 4.500 . 5.000 3.074 2.922 3.233 . 0 0 "[ . 1 . 2]" 1
179 1 83 VAL MG2 2 71 PHE HD2 3.800 . 4.300 2.593 2.350 2.832 . 0 0 "[ . 1 . 2]" 1
180 1 83 VAL HA 2 71 PHE HE2 3.800 . 4.300 2.426 2.253 2.822 . 0 0 "[ . 1 . 2]" 1
181 1 83 VAL MG1 2 71 PHE HE2 4.500 . 5.000 3.919 3.647 4.160 . 0 0 "[ . 1 . 2]" 1
182 1 83 VAL MG2 2 71 PHE HE2 4.500 . 5.000 2.912 2.463 3.178 . 0 0 "[ . 1 . 2]" 1
183 1 83 VAL MG1 2 72 GLN HA 5.200 . 5.700 3.671 3.516 3.873 . 0 0 "[ . 1 . 2]" 1
184 1 83 VAL MG2 2 72 GLN HA 3.800 . 4.300 2.271 2.172 2.415 . 0 0 "[ . 1 . 2]" 1
185 1 83 VAL MG1 2 72 GLN QB 4.500 . 5.000 3.107 2.939 3.339 . 0 0 "[ . 1 . 2]" 1
186 1 83 VAL MG2 2 72 GLN QB 4.500 . 5.000 3.101 2.837 3.270 . 0 0 "[ . 1 . 2]" 1
187 1 83 VAL HB 2 72 GLN QE 4.500 . 5.000 4.393 3.978 5.030 0.030 4 0 "[ . 1 . 2]" 1
188 1 83 VAL MG2 2 72 GLN HG3 4.500 . 5.000 2.242 2.155 2.419 . 0 0 "[ . 1 . 2]" 1
189 1 83 VAL MG2 2 72 GLN HG2 4.500 . 5.000 3.616 3.524 3.768 . 0 0 "[ . 1 . 2]" 1
190 1 83 VAL MG2 2 72 GLN H 4.500 . 5.000 4.096 3.933 4.329 . 0 0 "[ . 1 . 2]" 1
191 1 83 VAL MG2 2 75 VAL HB 4.500 . 5.000 3.270 2.923 3.477 . 0 0 "[ . 1 . 2]" 1
192 1 83 VAL MG2 2 75 VAL MG1 3.800 . 4.300 2.162 2.024 2.669 . 0 0 "[ . 1 . 2]" 1
193 1 83 VAL MG2 2 75 VAL MG2 3.800 . 4.300 3.087 2.391 3.374 . 0 0 "[ . 1 . 2]" 1
194 1 85 MET QB 2 12 ILE MD 4.500 . 5.000 2.893 2.082 3.500 . 0 0 "[ . 1 . 2]" 1
195 1 85 MET ME 2 12 ILE MD 5.200 . 5.700 2.667 1.772 4.097 0.028 6 0 "[ . 1 . 2]" 1
196 1 85 MET QG 2 12 ILE MD 4.500 . 5.000 3.159 2.206 3.792 . 0 0 "[ . 1 . 2]" 1
197 1 85 MET HG3 2 12 ILE MD 4.500 . 5.000 3.901 2.656 5.021 0.021 3 0 "[ . 1 . 2]" 1
198 1 85 MET HG2 2 12 ILE MD 4.500 . 5.000 3.494 2.357 4.858 . 0 0 "[ . 1 . 2]" 1
199 1 86 ASN HA 2 12 ILE MD 4.500 . 5.000 3.172 3.018 3.495 . 0 0 "[ . 1 . 2]" 1
200 1 86 ASN QB 2 12 ILE MD 3.800 . 4.300 3.522 3.093 4.211 . 0 0 "[ . 1 . 2]" 1
201 1 86 ASN HB3 2 12 ILE MD 4.500 . 5.000 4.697 3.226 5.028 0.028 13 0 "[ . 1 . 2]" 1
202 1 86 ASN HB2 2 12 ILE MD 4.500 . 5.000 3.765 3.252 5.003 0.003 7 0 "[ . 1 . 2]" 1
203 1 86 ASN H 2 12 ILE MD 4.500 . 5.000 3.787 3.554 3.985 . 0 0 "[ . 1 . 2]" 1
204 1 86 ASN HA 2 12 ILE MG 5.200 . 5.700 4.289 3.525 4.734 . 0 0 "[ . 1 . 2]" 1
205 1 86 ASN QD 2 71 PHE HE2 4.500 . 5.000 4.644 1.798 5.025 0.025 14 0 "[ . 1 . 2]" 1
206 1 87 ASN H 2 12 ILE MD 5.200 . 5.700 5.689 5.530 5.738 0.038 12 0 "[ . 1 . 2]" 1
207 1 4 LEU QD 2 11 LEU MD1 4.500 . 5.000 3.829 3.538 4.400 . 0 0 "[ . 1 . 2]" 1
208 1 4 LEU QD 2 11 LEU MD2 3.800 . 4.300 2.026 1.786 2.581 0.014 9 0 "[ . 1 . 2]" 1
209 1 4 LEU HG 2 11 LEU MD2 4.500 . 5.000 3.826 2.029 4.674 . 0 0 "[ . 1 . 2]" 1
210 1 7 ALA MB 2 11 LEU MD2 3.800 . 4.300 3.041 2.679 3.455 . 0 0 "[ . 1 . 2]" 1
211 1 8 MET H 2 11 LEU MD2 4.500 . 5.000 4.768 4.481 5.031 0.031 12 0 "[ . 1 . 2]" 1
212 1 11 LEU QD 2 4 LEU QD 3.800 . 4.300 2.018 1.781 2.564 0.019 9 0 "[ . 1 . 2]" 1
213 1 11 LEU QD 2 4 LEU HG 4.500 . 5.000 3.779 2.023 4.622 . 0 0 "[ . 1 . 2]" 1
214 1 11 LEU QD 2 7 ALA MB 3.800 . 4.300 2.993 2.647 3.390 . 0 0 "[ . 1 . 2]" 1
215 1 11 LEU QD 2 8 MET H 4.500 . 5.000 4.643 4.361 4.917 . 0 0 "[ . 1 . 2]" 1
216 1 71 PHE QB 2 83 VAL MG1 3.800 . 4.300 4.197 4.139 4.241 . 0 0 "[ . 1 . 2]" 1
217 1 71 PHE QB 2 83 VAL MG2 4.500 . 5.000 4.245 4.065 4.457 . 0 0 "[ . 1 . 2]" 1
218 1 75 VAL QG 2 79 ALA HA 3.800 . 4.300 2.314 2.150 2.690 . 0 0 "[ . 1 . 2]" 1
219 1 75 VAL QG 2 79 ALA MB 2.800 . 3.300 1.868 1.802 2.001 . 0 0 "[ . 1 . 2]" 1
220 1 75 VAL QG 2 80 ALA HA 3.800 . 4.300 3.470 3.172 3.731 . 0 0 "[ . 1 . 2]" 1
221 1 75 VAL QG 2 80 ALA MB 4.500 . 5.000 4.289 4.120 4.503 . 0 0 "[ . 1 . 2]" 1
222 1 75 VAL QG 2 80 ALA H 4.500 . 5.000 3.970 3.729 4.213 . 0 0 "[ . 1 . 2]" 1
223 1 75 VAL QG 2 81 LEU H 5.200 . 5.700 4.938 4.758 5.133 . 0 0 "[ . 1 . 2]" 1
224 1 75 VAL QG 2 82 THR HB 3.800 . 4.300 2.212 2.125 2.580 . 0 0 "[ . 1 . 2]" 1
225 1 75 VAL QG 2 82 THR MG 3.800 . 4.300 2.444 2.103 2.618 . 0 0 "[ . 1 . 2]" 1
226 1 75 VAL QG 2 82 THR H 4.500 . 5.000 3.921 3.800 4.113 . 0 0 "[ . 1 . 2]" 1
227 1 75 VAL QG 2 83 VAL MG2 3.800 . 4.300 2.103 2.002 2.455 . 0 0 "[ . 1 . 2]" 1
228 1 76 VAL QG 2 80 ALA HA 4.500 . 5.000 4.151 3.874 4.620 . 0 0 "[ . 1 . 2]" 1
229 1 80 ALA HA 2 75 VAL MG1 3.800 . 4.300 3.573 3.213 3.798 . 0 0 "[ . 1 . 2]" 1
230 1 80 ALA MB 2 75 VAL MG1 4.500 . 5.000 4.499 4.221 4.684 . 0 0 "[ . 1 . 2]" 1
231 1 80 ALA H 2 75 VAL MG1 4.500 . 5.000 4.258 3.786 4.502 . 0 0 "[ . 1 . 2]" 1
232 1 80 ALA HA 2 76 VAL MG1 4.500 . 5.000 4.203 3.912 4.698 . 0 0 "[ . 1 . 2]" 1
233 1 81 LEU H 2 75 VAL MG1 5.200 . 5.700 5.525 4.957 5.701 0.001 19 0 "[ . 1 . 2]" 1
234 1 82 THR H 2 75 VAL MG1 4.500 . 5.000 4.822 4.307 4.988 . 0 0 "[ . 1 . 2]" 1
235 1 83 VAL MG1 2 71 PHE HB3 3.800 . 4.300 4.305 4.256 4.328 0.028 14 0 "[ . 1 . 2]" 1
236 1 83 VAL MG2 2 71 PHE HB3 4.500 . 5.000 4.376 4.185 4.605 . 0 0 "[ . 1 . 2]" 1
237 1 1 GLY QA 1 5 GLU QB 4.500 . 5.000 3.776 2.906 5.023 0.023 7 0 "[ . 1 . 2]" 1
238 2 1 GLY QA 2 5 GLU QB 4.500 . 5.000 3.775 2.906 5.022 0.022 7 0 "[ . 1 . 2]" 1
239 1 2 SER QB 1 3 GLU H 3.800 . 4.300 2.914 2.482 3.663 . 0 0 "[ . 1 . 2]" 1
240 2 2 SER QB 2 3 GLU H 3.800 . 4.300 2.914 2.482 3.664 . 0 0 "[ . 1 . 2]" 1
241 1 2 SER QB 1 4 LEU H 4.500 . 5.000 3.131 2.618 4.783 . 0 0 "[ . 1 . 2]" 1
242 2 2 SER QB 2 4 LEU H 4.500 . 5.000 3.130 2.619 4.783 . 0 0 "[ . 1 . 2]" 1
243 1 2 SER QB 1 5 GLU H 4.500 . 5.000 2.876 2.307 4.708 . 0 0 "[ . 1 . 2]" 1
244 2 2 SER QB 2 5 GLU H 4.500 . 5.000 2.876 2.307 4.709 . 0 0 "[ . 1 . 2]" 1
245 1 3 GLU HA 1 6 THR HB 3.800 . 4.300 2.660 2.525 2.865 . 0 0 "[ . 1 . 2]" 1
246 2 3 GLU HA 2 6 THR HB 3.800 . 4.300 2.660 2.525 2.866 . 0 0 "[ . 1 . 2]" 1
247 1 3 GLU QB 1 7 ALA MB 4.500 . 5.000 4.278 3.917 4.962 . 0 0 "[ . 1 . 2]" 1
248 2 3 GLU QB 2 7 ALA MB 4.500 . 5.000 4.277 3.916 4.962 . 0 0 "[ . 1 . 2]" 1
249 1 3 GLU HA 1 7 ALA H 4.500 . 5.000 4.005 3.916 4.146 . 0 0 "[ . 1 . 2]" 1
250 2 3 GLU HA 2 7 ALA H 4.500 . 5.000 4.004 3.915 4.146 . 0 0 "[ . 1 . 2]" 1
251 1 3 GLU QB 1 7 ALA H 5.200 . 5.700 4.647 4.425 5.221 . 0 0 "[ . 1 . 2]" 1
252 2 3 GLU QB 2 7 ALA H 5.200 . 5.700 4.647 4.426 5.220 . 0 0 "[ . 1 . 2]" 1
253 1 4 LEU HA 1 4 LEU QD 3.800 . 4.300 2.204 2.002 2.978 . 0 0 "[ . 1 . 2]" 1
254 2 4 LEU HA 2 4 LEU QD 3.800 . 4.300 2.204 2.001 2.978 . 0 0 "[ . 1 . 2]" 1
255 1 4 LEU HA 1 4 LEU MD1 4.500 . 5.000 2.329 2.130 3.749 . 0 0 "[ . 1 . 2]" 1
256 2 4 LEU HA 2 4 LEU MD1 4.500 . 5.000 2.329 2.130 3.749 . 0 0 "[ . 1 . 2]" 1
257 1 4 LEU HA 1 4 LEU MD2 4.500 . 5.000 3.729 2.009 3.880 . 0 0 "[ . 1 . 2]" 1
258 2 4 LEU HA 2 4 LEU MD2 4.500 . 5.000 3.729 2.009 3.879 . 0 0 "[ . 1 . 2]" 1
259 1 4 LEU QB 1 5 GLU H 4.500 . 5.000 2.497 2.431 2.608 . 0 0 "[ . 1 . 2]" 1
260 2 4 LEU QB 2 5 GLU H 4.500 . 5.000 2.497 2.430 2.608 . 0 0 "[ . 1 . 2]" 1
261 1 4 LEU QD 1 5 GLU H 5.200 . 5.700 3.827 3.280 4.059 . 0 0 "[ . 1 . 2]" 1
262 2 4 LEU QD 2 5 GLU H 5.200 . 5.700 3.827 3.280 4.059 . 0 0 "[ . 1 . 2]" 1
263 1 4 LEU H 1 5 GLU H 4.500 . 5.000 2.655 2.594 2.687 . 0 0 "[ . 1 . 2]" 1
264 2 4 LEU H 2 5 GLU H 4.500 . 5.000 2.655 2.594 2.687 . 0 0 "[ . 1 . 2]" 1
265 1 4 LEU HA 1 7 ALA MB 3.800 . 4.300 2.711 2.369 3.087 . 0 0 "[ . 1 . 2]" 1
266 2 4 LEU HA 2 7 ALA MB 3.800 . 4.300 2.711 2.370 3.086 . 0 0 "[ . 1 . 2]" 1
267 1 4 LEU QD 1 7 ALA MB 4.500 . 5.000 3.242 2.589 3.849 . 0 0 "[ . 1 . 2]" 1
268 2 4 LEU QD 2 7 ALA MB 4.500 . 5.000 3.243 2.589 3.849 . 0 0 "[ . 1 . 2]" 1
269 1 5 GLU H 1 5 GLU QG 4.500 . 5.000 3.263 2.189 3.952 . 0 0 "[ . 1 . 2]" 1
270 2 5 GLU H 2 5 GLU QG 4.500 . 5.000 3.263 2.188 3.951 . 0 0 "[ . 1 . 2]" 1
271 1 5 GLU QG 1 6 THR H 4.500 . 5.000 3.845 3.666 4.105 . 0 0 "[ . 1 . 2]" 1
272 2 5 GLU QG 2 6 THR H 4.500 . 5.000 3.844 3.666 4.104 . 0 0 "[ . 1 . 2]" 1
273 1 5 GLU H 1 6 THR H 4.500 . 5.000 2.617 2.569 2.659 . 0 0 "[ . 1 . 2]" 1
274 2 5 GLU H 2 6 THR H 4.500 . 5.000 2.617 2.570 2.658 . 0 0 "[ . 1 . 2]" 1
275 1 6 THR H 1 6 THR HB 3.800 . 4.300 2.592 2.567 2.613 . 0 0 "[ . 1 . 2]" 1
276 2 6 THR H 2 6 THR HB 3.800 . 4.300 2.592 2.565 2.611 . 0 0 "[ . 1 . 2]" 1
277 1 6 THR H 1 6 THR MG 4.500 . 5.000 3.749 3.744 3.754 . 0 0 "[ . 1 . 2]" 1
278 2 6 THR H 2 6 THR MG 4.500 . 5.000 3.749 3.744 3.754 . 0 0 "[ . 1 . 2]" 1
279 1 6 THR MG 1 7 ALA HA 4.500 . 5.000 3.618 3.581 3.652 . 0 0 "[ . 1 . 2]" 1
280 2 6 THR MG 2 7 ALA HA 4.500 . 5.000 3.618 3.581 3.653 . 0 0 "[ . 1 . 2]" 1
281 1 6 THR H 1 7 ALA MB 4.500 . 5.000 4.311 4.151 4.397 . 0 0 "[ . 1 . 2]" 1
282 2 6 THR H 2 7 ALA MB 4.500 . 5.000 4.311 4.151 4.398 . 0 0 "[ . 1 . 2]" 1
283 1 6 THR HB 1 7 ALA H 4.500 . 5.000 2.547 2.523 2.607 . 0 0 "[ . 1 . 2]" 1
284 2 6 THR HB 2 7 ALA H 4.500 . 5.000 2.547 2.523 2.605 . 0 0 "[ . 1 . 2]" 1
285 1 6 THR MG 1 7 ALA H 4.500 . 5.000 3.538 3.516 3.590 . 0 0 "[ . 1 . 2]" 1
286 2 6 THR MG 2 7 ALA H 4.500 . 5.000 3.538 3.515 3.589 . 0 0 "[ . 1 . 2]" 1
287 1 6 THR H 1 7 ALA H 3.800 . 4.300 2.675 2.567 2.728 . 0 0 "[ . 1 . 2]" 1
288 2 6 THR H 2 7 ALA H 3.800 . 4.300 2.675 2.567 2.730 . 0 0 "[ . 1 . 2]" 1
289 1 6 THR HA 1 9 GLU QB 3.800 . 4.300 3.297 3.000 3.523 . 0 0 "[ . 1 . 2]" 1
290 2 6 THR HA 2 9 GLU QB 3.800 . 4.300 3.297 3.000 3.524 . 0 0 "[ . 1 . 2]" 1
291 1 6 THR MG 1 9 GLU QB 3.800 . 4.300 3.957 3.681 4.080 . 0 0 "[ . 1 . 2]" 1
292 2 6 THR MG 2 9 GLU QB 3.800 . 4.300 3.957 3.680 4.080 . 0 0 "[ . 1 . 2]" 1
293 1 6 THR HA 1 9 GLU QG 4.500 . 5.000 3.537 3.154 3.683 . 0 0 "[ . 1 . 2]" 1
294 2 6 THR HA 2 9 GLU QG 4.500 . 5.000 3.537 3.153 3.682 . 0 0 "[ . 1 . 2]" 1
295 1 6 THR MG 1 9 GLU QG 4.500 . 5.000 4.867 4.323 5.013 0.013 13 0 "[ . 1 . 2]" 1
296 2 6 THR MG 2 9 GLU QG 4.500 . 5.000 4.867 4.322 5.013 0.013 13 0 "[ . 1 . 2]" 1
297 1 6 THR HA 1 9 GLU H 4.500 . 5.000 3.790 3.696 3.872 . 0 0 "[ . 1 . 2]" 1
298 2 6 THR HA 2 9 GLU H 4.500 . 5.000 3.790 3.696 3.872 . 0 0 "[ . 1 . 2]" 1
299 1 6 THR MG 1 9 GLU H 4.500 . 5.000 4.902 4.788 5.004 0.004 14 0 "[ . 1 . 2]" 1
300 2 6 THR MG 2 9 GLU H 4.500 . 5.000 4.902 4.788 5.004 0.004 14 0 "[ . 1 . 2]" 1
301 1 6 THR MG 1 10 THR H 4.500 . 5.000 4.780 4.451 4.979 . 0 0 "[ . 1 . 2]" 1
302 2 6 THR MG 2 10 THR H 4.500 . 5.000 4.780 4.451 4.980 . 0 0 "[ . 1 . 2]" 1
303 1 7 ALA MB 1 8 MET HB3 4.500 . 5.000 4.671 4.200 4.864 . 0 0 "[ . 1 . 2]" 1
304 2 7 ALA MB 2 8 MET HB3 4.500 . 5.000 4.671 4.200 4.863 . 0 0 "[ . 1 . 2]" 1
305 1 7 ALA H 1 8 MET HB3 5.200 . 5.700 4.975 4.776 5.586 . 0 0 "[ . 1 . 2]" 1
306 2 7 ALA H 2 8 MET HB3 5.200 . 5.700 4.975 4.776 5.588 . 0 0 "[ . 1 . 2]" 1
307 1 7 ALA MB 1 8 MET H 3.800 . 4.300 2.587 2.485 2.710 . 0 0 "[ . 1 . 2]" 1
308 2 7 ALA MB 2 8 MET H 3.800 . 4.300 2.588 2.487 2.710 . 0 0 "[ . 1 . 2]" 1
309 1 8 MET H 1 8 MET HB3 3.800 . 4.300 2.609 2.467 2.872 . 0 0 "[ . 1 . 2]" 1
310 2 8 MET H 2 8 MET HB3 3.800 . 4.300 2.609 2.467 2.876 . 0 0 "[ . 1 . 2]" 1
311 1 8 MET HB3 1 8 MET ME 3.800 . 4.300 2.449 2.086 2.832 . 0 0 "[ . 1 . 2]" 1
312 2 8 MET HB3 2 8 MET ME 3.800 . 4.300 2.449 2.086 2.833 . 0 0 "[ . 1 . 2]" 1
313 1 8 MET HB2 1 8 MET ME 3.800 . 4.300 2.676 2.074 3.222 . 0 0 "[ . 1 . 2]" 1
314 2 8 MET HB2 2 8 MET ME 3.800 . 4.300 2.677 2.074 3.222 . 0 0 "[ . 1 . 2]" 1
315 1 8 MET ME 1 8 MET HG3 3.800 . 4.300 2.877 2.299 3.370 . 0 0 "[ . 1 . 2]" 1
316 2 8 MET ME 2 8 MET HG3 3.800 . 4.300 2.877 2.299 3.370 . 0 0 "[ . 1 . 2]" 1
317 1 8 MET ME 1 8 MET HG2 3.800 . 4.300 2.739 2.213 3.359 . 0 0 "[ . 1 . 2]" 1
318 2 8 MET ME 2 8 MET HG2 3.800 . 4.300 2.739 2.213 3.358 . 0 0 "[ . 1 . 2]" 1
319 1 8 MET H 1 8 MET ME 3.800 . 4.300 3.930 3.082 4.293 . 0 0 "[ . 1 . 2]" 1
320 2 8 MET H 2 8 MET ME 3.800 . 4.300 3.931 3.083 4.293 . 0 0 "[ . 1 . 2]" 1
321 1 8 MET H 1 8 MET QG 4.500 . 5.000 3.602 1.767 3.948 0.033 9 0 "[ . 1 . 2]" 1
322 2 8 MET H 2 8 MET QG 4.500 . 5.000 3.602 1.767 3.948 0.033 9 0 "[ . 1 . 2]" 1
323 1 8 MET ME 1 9 GLU QG 4.500 . 5.000 4.214 2.930 5.012 0.012 4 0 "[ . 1 . 2]" 1
324 2 8 MET ME 2 9 GLU QG 4.500 . 5.000 4.213 2.931 5.013 0.013 3 0 "[ . 1 . 2]" 1
325 1 8 MET QG 1 9 GLU QG 4.500 . 5.000 3.850 2.233 4.258 . 0 0 "[ . 1 . 2]" 1
326 2 8 MET QG 2 9 GLU QG 4.500 . 5.000 3.850 2.233 4.258 . 0 0 "[ . 1 . 2]" 1
327 1 8 MET QG 1 9 GLU H 4.500 . 5.000 3.392 1.891 3.717 . 0 0 "[ . 1 . 2]" 1
328 2 8 MET QG 2 9 GLU H 4.500 . 5.000 3.392 1.891 3.717 . 0 0 "[ . 1 . 2]" 1
329 1 8 MET HG3 1 9 GLU H 4.500 . 5.000 4.361 1.932 4.823 . 0 0 "[ . 1 . 2]" 1
330 2 8 MET HG3 2 9 GLU H 4.500 . 5.000 4.361 1.933 4.822 . 0 0 "[ . 1 . 2]" 1
331 1 8 MET HG2 1 9 GLU H 4.500 . 5.000 3.629 2.686 3.865 . 0 0 "[ . 1 . 2]" 1
332 2 8 MET HG2 2 9 GLU H 4.500 . 5.000 3.629 2.686 3.865 . 0 0 "[ . 1 . 2]" 1
333 1 8 MET HA 1 11 LEU HG 4.500 . 5.000 2.754 2.415 3.014 . 0 0 "[ . 1 . 2]" 1
334 2 8 MET HA 2 11 LEU HG 4.500 . 5.000 2.755 2.416 3.014 . 0 0 "[ . 1 . 2]" 1
335 1 9 GLU H 1 9 GLU HG3 4.500 . 5.000 2.313 2.110 3.636 . 0 0 "[ . 1 . 2]" 1
336 2 9 GLU H 2 9 GLU HG3 4.500 . 5.000 2.313 2.108 3.635 . 0 0 "[ . 1 . 2]" 1
337 1 9 GLU H 1 9 GLU HG2 4.500 . 5.000 3.236 2.184 3.419 . 0 0 "[ . 1 . 2]" 1
338 2 9 GLU H 2 9 GLU HG2 4.500 . 5.000 3.236 2.184 3.419 . 0 0 "[ . 1 . 2]" 1
339 1 9 GLU HA 1 10 THR HA 5.200 . 5.700 4.816 4.773 4.843 . 0 0 "[ . 1 . 2]" 1
340 2 9 GLU HA 2 10 THR HA 5.200 . 5.700 4.816 4.774 4.843 . 0 0 "[ . 1 . 2]" 1
341 1 9 GLU QB 1 10 THR H 3.800 . 4.300 2.767 2.720 2.808 . 0 0 "[ . 1 . 2]" 1
342 2 9 GLU QB 2 10 THR H 3.800 . 4.300 2.768 2.722 2.810 . 0 0 "[ . 1 . 2]" 1
343 1 9 GLU HA 1 12 ILE HB 4.500 . 5.000 3.145 2.782 3.485 . 0 0 "[ . 1 . 2]" 1
344 2 9 GLU HA 2 12 ILE HB 4.500 . 5.000 3.145 2.782 3.484 . 0 0 "[ . 1 . 2]" 1
345 1 9 GLU HA 1 12 ILE MD 3.800 . 4.300 2.588 2.234 3.012 . 0 0 "[ . 1 . 2]" 1
346 2 9 GLU HA 2 12 ILE MD 3.800 . 4.300 2.588 2.235 3.013 . 0 0 "[ . 1 . 2]" 1
347 1 9 GLU QB 1 12 ILE MD 5.200 . 5.700 3.938 3.479 4.187 . 0 0 "[ . 1 . 2]" 1
348 2 9 GLU QB 2 12 ILE MD 5.200 . 5.700 3.938 3.480 4.188 . 0 0 "[ . 1 . 2]" 1
349 1 9 GLU QG 1 12 ILE MD 4.500 . 5.000 3.334 2.962 3.885 . 0 0 "[ . 1 . 2]" 1
350 2 9 GLU QG 2 12 ILE MD 4.500 . 5.000 3.333 2.962 3.885 . 0 0 "[ . 1 . 2]" 1
351 1 9 GLU H 1 12 ILE MD 5.200 . 5.700 4.780 4.339 5.221 . 0 0 "[ . 1 . 2]" 1
352 2 9 GLU H 2 12 ILE MD 5.200 . 5.700 4.780 4.339 5.222 . 0 0 "[ . 1 . 2]" 1
353 1 9 GLU HA 1 12 ILE H 4.500 . 5.000 3.318 3.158 3.471 . 0 0 "[ . 1 . 2]" 1
354 2 9 GLU HA 2 12 ILE H 4.500 . 5.000 3.318 3.158 3.470 . 0 0 "[ . 1 . 2]" 1
355 1 10 THR H 1 10 THR HB 3.800 . 4.300 2.684 2.623 3.594 . 0 0 "[ . 1 . 2]" 1
356 2 10 THR H 2 10 THR HB 3.800 . 4.300 2.684 2.623 3.594 . 0 0 "[ . 1 . 2]" 1
357 1 10 THR H 1 10 THR MG 4.500 . 5.000 3.664 2.233 3.746 . 0 0 "[ . 1 . 2]" 1
358 2 10 THR H 2 10 THR MG 4.500 . 5.000 3.664 2.233 3.745 . 0 0 "[ . 1 . 2]" 1
359 1 10 THR HB 1 11 LEU HA 4.500 . 5.000 4.212 4.175 4.532 . 0 0 "[ . 1 . 2]" 1
360 2 10 THR HB 2 11 LEU HA 4.500 . 5.000 4.212 4.175 4.531 . 0 0 "[ . 1 . 2]" 1
361 1 10 THR HB 1 11 LEU H 4.500 . 5.000 2.832 2.713 3.913 . 0 0 "[ . 1 . 2]" 1
362 2 10 THR HB 2 11 LEU H 4.500 . 5.000 2.832 2.713 3.914 . 0 0 "[ . 1 . 2]" 1
363 1 10 THR MG 1 11 LEU H 4.500 . 5.000 3.730 3.682 3.946 . 0 0 "[ . 1 . 2]" 1
364 2 10 THR MG 2 11 LEU H 4.500 . 5.000 3.729 3.681 3.946 . 0 0 "[ . 1 . 2]" 1
365 1 10 THR H 1 11 LEU H 4.500 . 5.000 2.782 2.655 2.822 . 0 0 "[ . 1 . 2]" 1
366 2 10 THR H 2 11 LEU H 4.500 . 5.000 2.782 2.655 2.821 . 0 0 "[ . 1 . 2]" 1
367 1 10 THR HA 1 13 ASN QB 4.500 . 5.000 2.801 2.651 2.948 . 0 0 "[ . 1 . 2]" 1
368 2 10 THR HA 2 13 ASN QB 4.500 . 5.000 2.801 2.651 2.949 . 0 0 "[ . 1 . 2]" 1
369 1 10 THR MG 1 13 ASN HB3 4.500 . 5.000 4.302 3.422 5.004 0.004 11 0 "[ . 1 . 2]" 1
370 2 10 THR MG 2 13 ASN HB3 4.500 . 5.000 4.302 3.421 5.003 0.003 11 0 "[ . 1 . 2]" 1
371 1 10 THR MG 1 13 ASN HB2 4.500 . 5.000 4.030 3.308 5.003 0.003 9 0 "[ . 1 . 2]" 1
372 2 10 THR MG 2 13 ASN HB2 4.500 . 5.000 4.031 3.309 5.004 0.004 9 0 "[ . 1 . 2]" 1
373 1 10 THR HA 1 14 VAL MG1 5.200 . 5.700 3.810 3.551 4.303 . 0 0 "[ . 1 . 2]" 1
374 2 10 THR HA 2 14 VAL MG1 5.200 . 5.700 3.810 3.550 4.301 . 0 0 "[ . 1 . 2]" 1
375 1 10 THR MG 1 14 VAL MG1 3.800 . 4.300 2.592 2.169 4.253 . 0 0 "[ . 1 . 2]" 1
376 2 10 THR MG 2 14 VAL MG1 3.800 . 4.300 2.592 2.169 4.252 . 0 0 "[ . 1 . 2]" 1
377 1 11 LEU H 1 11 LEU MD1 4.500 . 5.000 3.645 3.610 3.672 . 0 0 "[ . 1 . 2]" 1
378 2 11 LEU H 2 11 LEU MD1 3.800 . 4.300 3.645 3.610 3.671 . 0 0 "[ . 1 . 2]" 1
379 1 11 LEU H 1 11 LEU MD2 4.500 . 5.000 2.925 2.845 2.998 . 0 0 "[ . 1 . 2]" 1
380 2 11 LEU H 2 11 LEU MD2 4.500 . 5.000 2.925 2.847 2.999 . 0 0 "[ . 1 . 2]" 1
381 1 11 LEU H 1 11 LEU HG 3.800 . 4.300 2.051 1.987 2.107 . 0 0 "[ . 1 . 2]" 1
382 2 11 LEU H 2 11 LEU HG 3.800 . 4.300 2.051 1.989 2.107 . 0 0 "[ . 1 . 2]" 1
383 1 11 LEU HG 1 12 ILE HG13 4.500 . 5.000 5.013 5.003 5.019 0.019 3 0 "[ . 1 . 2]" 1
384 2 11 LEU HG 2 12 ILE HG13 4.500 . 5.000 5.013 5.004 5.019 0.019 17 0 "[ . 1 . 2]" 1
385 1 11 LEU HB2 1 12 ILE MG 5.200 . 5.700 5.306 5.289 5.334 . 0 0 "[ . 1 . 2]" 1
386 2 11 LEU HB2 2 12 ILE MG 5.200 . 5.700 5.306 5.289 5.335 . 0 0 "[ . 1 . 2]" 1
387 1 11 LEU HB3 1 12 ILE H 4.500 . 5.000 3.675 3.652 3.728 . 0 0 "[ . 1 . 2]" 1
388 2 11 LEU HB3 2 12 ILE H 4.500 . 5.000 3.675 3.651 3.729 . 0 0 "[ . 1 . 2]" 1
389 1 11 LEU HB2 1 12 ILE H 4.500 . 5.000 2.533 2.496 2.566 . 0 0 "[ . 1 . 2]" 1
390 2 11 LEU HB2 2 12 ILE H 4.500 . 5.000 2.534 2.497 2.567 . 0 0 "[ . 1 . 2]" 1
391 1 11 LEU H 1 12 ILE H 4.500 . 5.000 2.669 2.608 2.749 . 0 0 "[ . 1 . 2]" 1
392 2 11 LEU H 2 12 ILE H 4.500 . 5.000 2.670 2.608 2.747 . 0 0 "[ . 1 . 2]" 1
393 1 11 LEU HB3 1 15 PHE HB2 4.500 . 5.000 4.369 4.274 4.521 . 0 0 "[ . 1 . 2]" 1
394 2 11 LEU HB3 2 15 PHE HB2 4.500 . 5.000 4.369 4.274 4.523 . 0 0 "[ . 1 . 2]" 1
395 1 11 LEU HB2 1 15 PHE HB2 5.200 . 5.700 5.349 5.199 5.435 . 0 0 "[ . 1 . 2]" 1
396 2 11 LEU HB2 2 15 PHE HB2 5.200 . 5.700 5.349 5.200 5.435 . 0 0 "[ . 1 . 2]" 1
397 1 11 LEU HB2 1 74 TYR HE2 4.500 . 5.000 4.929 4.541 5.015 0.015 12 0 "[ . 1 . 2]" 1
398 2 11 LEU HB2 2 74 TYR HE2 4.500 . 5.000 4.930 4.541 5.015 0.015 12 0 "[ . 1 . 2]" 1
399 1 11 LEU MD1 1 75 VAL HA 5.200 . 5.700 3.458 3.131 3.581 . 0 0 "[ . 1 . 2]" 1
400 2 11 LEU MD1 2 75 VAL HA 4.500 . 5.000 3.459 3.132 3.582 . 0 0 "[ . 1 . 2]" 1
401 1 11 LEU MD2 1 75 VAL HA 5.200 . 5.700 4.880 4.215 5.151 . 0 0 "[ . 1 . 2]" 1
402 2 11 LEU MD2 2 75 VAL HA 5.200 . 5.700 4.881 4.215 5.151 . 0 0 "[ . 1 . 2]" 1
403 1 11 LEU HG 1 78 VAL MG2 4.500 . 5.000 4.978 4.656 5.021 0.021 10 0 "[ . 1 . 2]" 1
404 2 11 LEU HG 2 78 VAL MG2 4.500 . 5.000 4.978 4.657 5.021 0.021 10 0 "[ . 1 . 2]" 1
405 1 12 ILE H 1 12 ILE HB 3.800 . 4.300 2.490 2.468 2.501 . 0 0 "[ . 1 . 2]" 1
406 2 12 ILE H 2 12 ILE HB 3.800 . 4.300 2.490 2.470 2.500 . 0 0 "[ . 1 . 2]" 1
407 1 12 ILE H 1 12 ILE MD 3.800 . 4.300 3.463 3.413 3.542 . 0 0 "[ . 1 . 2]" 1
408 2 12 ILE H 2 12 ILE MD 3.800 . 4.300 3.463 3.413 3.541 . 0 0 "[ . 1 . 2]" 1
409 1 12 ILE H 1 12 ILE MG 4.500 . 5.000 3.734 3.723 3.748 . 0 0 "[ . 1 . 2]" 1
410 2 12 ILE H 2 12 ILE MG 4.500 . 5.000 3.734 3.723 3.748 . 0 0 "[ . 1 . 2]" 1
411 1 12 ILE MG 1 13 ASN HA 4.500 . 5.000 3.445 3.382 3.571 . 0 0 "[ . 1 . 2]" 1
412 2 12 ILE MG 2 13 ASN HA 4.500 . 5.000 3.445 3.384 3.571 . 0 0 "[ . 1 . 2]" 1
413 1 12 ILE HB 1 13 ASN H 3.800 . 4.300 2.565 2.462 2.753 . 0 0 "[ . 1 . 2]" 1
414 2 12 ILE HB 2 13 ASN H 3.800 . 4.300 2.565 2.461 2.752 . 0 0 "[ . 1 . 2]" 1
415 1 12 ILE MG 1 13 ASN H 4.500 . 5.000 3.409 3.337 3.520 . 0 0 "[ . 1 . 2]" 1
416 2 12 ILE MG 2 13 ASN H 4.500 . 5.000 3.410 3.337 3.520 . 0 0 "[ . 1 . 2]" 1
417 1 12 ILE H 1 13 ASN H 3.800 . 4.300 2.738 2.691 2.792 . 0 0 "[ . 1 . 2]" 1
418 2 12 ILE H 2 13 ASN H 3.800 . 4.300 2.738 2.692 2.791 . 0 0 "[ . 1 . 2]" 1
419 1 12 ILE MG 1 16 HIS QB 4.500 . 5.000 3.246 2.633 4.073 . 0 0 "[ . 1 . 2]" 1
420 2 12 ILE MG 2 16 HIS QB 4.500 . 5.000 3.246 2.634 4.073 . 0 0 "[ . 1 . 2]" 1
421 1 12 ILE MG 1 16 HIS HD2 4.500 . 5.000 4.278 1.992 5.014 0.014 12 0 "[ . 1 . 2]" 1
422 2 12 ILE MG 2 16 HIS HD2 4.500 . 5.000 4.278 1.992 5.015 0.015 12 0 "[ . 1 . 2]" 1
423 1 12 ILE MD 1 71 PHE HE2 4.500 . 5.000 4.653 4.131 5.002 0.002 7 0 "[ . 1 . 2]" 1
424 2 12 ILE MD 2 71 PHE HE2 4.500 . 5.000 4.653 4.129 5.003 0.003 7 0 "[ . 1 . 2]" 1
425 1 13 ASN QB 1 14 VAL MG1 4.500 . 5.000 2.908 2.767 3.104 . 0 0 "[ . 1 . 2]" 1
426 2 13 ASN QB 2 14 VAL MG1 4.500 . 5.000 2.908 2.767 3.104 . 0 0 "[ . 1 . 2]" 1
427 1 13 ASN QB 1 14 VAL MG2 4.500 . 5.000 3.966 3.859 4.060 . 0 0 "[ . 1 . 2]" 1
428 2 13 ASN QB 2 14 VAL MG2 4.500 . 5.000 3.966 3.860 4.059 . 0 0 "[ . 1 . 2]" 1
429 1 13 ASN QB 1 14 VAL H 3.800 . 4.300 2.548 2.493 2.591 . 0 0 "[ . 1 . 2]" 1
430 2 13 ASN QB 2 14 VAL H 3.800 . 4.300 2.548 2.491 2.591 . 0 0 "[ . 1 . 2]" 1
431 1 13 ASN H 1 15 PHE H 4.500 . 5.000 4.143 4.066 4.213 . 0 0 "[ . 1 . 2]" 1
432 2 13 ASN H 2 15 PHE H 4.500 . 5.000 4.143 4.065 4.214 . 0 0 "[ . 1 . 2]" 1
433 1 14 VAL H 1 14 VAL MG1 3.800 . 4.300 2.129 1.996 2.287 . 0 0 "[ . 1 . 2]" 1
434 2 14 VAL H 2 14 VAL MG1 3.800 . 4.300 2.128 1.995 2.286 . 0 0 "[ . 1 . 2]" 1
435 1 14 VAL H 1 14 VAL MG2 4.500 . 5.000 1.984 1.917 2.084 . 0 0 "[ . 1 . 2]" 1
436 2 14 VAL H 2 14 VAL MG2 4.500 . 5.000 1.984 1.917 2.084 . 0 0 "[ . 1 . 2]" 1
437 1 14 VAL MG2 1 15 PHE HA 4.500 . 5.000 3.171 3.068 3.281 . 0 0 "[ . 1 . 2]" 1
438 2 14 VAL MG2 2 15 PHE HA 4.500 . 5.000 3.171 3.068 3.281 . 0 0 "[ . 1 . 2]" 1
439 1 14 VAL HB 1 15 PHE H 4.500 . 5.000 3.813 3.767 3.877 . 0 0 "[ . 1 . 2]" 1
440 2 14 VAL HB 2 15 PHE H 4.500 . 5.000 3.814 3.765 3.881 . 0 0 "[ . 1 . 2]" 1
441 1 14 VAL MG1 1 15 PHE H 4.500 . 5.000 3.857 3.798 3.915 . 0 0 "[ . 1 . 2]" 1
442 2 14 VAL MG1 2 15 PHE H 4.500 . 5.000 3.857 3.799 3.915 . 0 0 "[ . 1 . 2]" 1
443 1 14 VAL MG2 1 15 PHE H 4.500 . 5.000 2.039 1.990 2.091 . 0 0 "[ . 1 . 2]" 1
444 2 14 VAL MG2 2 15 PHE H 4.500 . 5.000 2.039 1.989 2.090 . 0 0 "[ . 1 . 2]" 1
445 1 14 VAL H 1 15 PHE H 4.500 . 5.000 2.540 2.511 2.573 . 0 0 "[ . 1 . 2]" 1
446 2 14 VAL H 2 15 PHE H 4.500 . 5.000 2.540 2.511 2.575 . 0 0 "[ . 1 . 2]" 1
447 1 14 VAL HA 1 17 ALA MB 3.800 . 4.300 2.646 2.463 2.822 . 0 0 "[ . 1 . 2]" 1
448 2 14 VAL HA 2 17 ALA MB 3.800 . 4.300 2.646 2.463 2.822 . 0 0 "[ . 1 . 2]" 1
449 1 14 VAL HA 1 17 ALA H 4.500 . 5.000 3.480 3.346 3.625 . 0 0 "[ . 1 . 2]" 1
450 2 14 VAL HA 2 17 ALA H 4.500 . 5.000 3.481 3.345 3.624 . 0 0 "[ . 1 . 2]" 1
451 1 14 VAL HB 1 36 LEU QD 4.500 . 5.000 3.094 2.658 3.641 . 0 0 "[ . 1 . 2]" 1
452 2 14 VAL HB 2 36 LEU QD 4.500 . 5.000 3.094 2.658 3.641 . 0 0 "[ . 1 . 2]" 1
453 1 14 VAL HB 1 36 LEU MD1 5.200 . 5.700 3.279 2.732 3.913 . 0 0 "[ . 1 . 2]" 1
454 2 14 VAL HB 2 36 LEU MD1 5.200 . 5.700 3.279 2.731 3.913 . 0 0 "[ . 1 . 2]" 1
455 1 14 VAL HB 1 36 LEU MD2 5.200 . 5.700 3.878 3.213 4.736 . 0 0 "[ . 1 . 2]" 1
456 2 14 VAL HB 2 36 LEU MD2 5.200 . 5.700 3.878 3.211 4.736 . 0 0 "[ . 1 . 2]" 1
457 1 14 VAL HB 1 40 GLU QG 4.500 . 5.000 4.211 3.335 5.011 0.011 9 0 "[ . 1 . 2]" 1
458 2 14 VAL HB 2 40 GLU QG 4.500 . 5.000 4.211 3.335 5.011 0.011 7 0 "[ . 1 . 2]" 1
459 1 14 VAL MG1 1 40 GLU QG 4.500 . 5.000 4.409 3.768 5.005 0.005 5 0 "[ . 1 . 2]" 1
460 2 14 VAL MG1 2 40 GLU QG 4.500 . 5.000 4.408 3.767 5.005 0.005 5 0 "[ . 1 . 2]" 1
461 1 14 VAL MG2 1 40 GLU QG 5.200 . 5.700 4.544 3.679 5.333 . 0 0 "[ . 1 . 2]" 1
462 2 14 VAL MG2 2 40 GLU QG 5.200 . 5.700 4.544 3.679 5.332 . 0 0 "[ . 1 . 2]" 1
463 1 15 PHE HA 1 15 PHE HD1 4.500 . 5.000 2.849 2.791 2.907 . 0 0 "[ . 1 . 2]" 1
464 2 15 PHE HA 2 15 PHE HD1 4.500 . 5.000 2.849 2.791 2.907 . 0 0 "[ . 1 . 2]" 1
465 1 15 PHE H 1 15 PHE HD2 4.500 . 5.000 4.767 4.726 4.803 . 0 0 "[ . 1 . 2]" 1
466 2 15 PHE H 2 15 PHE HD2 4.500 . 5.000 4.767 4.725 4.803 . 0 0 "[ . 1 . 2]" 1
467 1 15 PHE HB2 1 15 PHE HE1 4.500 . 5.000 4.733 4.727 4.750 . 0 0 "[ . 1 . 2]" 1
468 2 15 PHE HB2 2 15 PHE HE1 4.500 . 5.000 4.732 4.727 4.750 . 0 0 "[ . 1 . 2]" 1
469 1 15 PHE HB3 1 16 HIS H 4.500 . 5.000 2.364 2.279 2.440 . 0 0 "[ . 1 . 2]" 1
470 2 15 PHE HB3 2 16 HIS H 4.500 . 5.000 2.364 2.279 2.442 . 0 0 "[ . 1 . 2]" 1
471 1 15 PHE HD2 1 16 HIS H 4.500 . 5.000 3.301 3.157 3.446 . 0 0 "[ . 1 . 2]" 1
472 2 15 PHE HD2 2 16 HIS H 4.500 . 5.000 3.302 3.157 3.446 . 0 0 "[ . 1 . 2]" 1
473 1 15 PHE H 1 16 HIS H 4.500 . 5.000 2.713 2.665 2.812 . 0 0 "[ . 1 . 2]" 1
474 2 15 PHE H 2 16 HIS H 4.500 . 5.000 2.712 2.666 2.811 . 0 0 "[ . 1 . 2]" 1
475 1 15 PHE HZ 1 27 LYS HA 4.500 . 5.000 4.608 4.173 4.910 . 0 0 "[ . 1 . 2]" 1
476 2 15 PHE HZ 2 27 LYS HA 4.500 . 5.000 4.608 4.172 4.912 . 0 0 "[ . 1 . 2]" 1
477 1 15 PHE HZ 1 28 LEU HA 5.200 . 5.700 4.961 4.585 5.242 . 0 0 "[ . 1 . 2]" 1
478 2 15 PHE HZ 2 28 LEU HA 5.200 . 5.700 4.962 4.586 5.242 . 0 0 "[ . 1 . 2]" 1
479 1 15 PHE HD1 1 28 LEU HB2 4.500 . 5.000 4.963 4.726 5.007 0.007 19 0 "[ . 1 . 2]" 1
480 2 15 PHE HD1 2 28 LEU HB2 4.500 . 5.000 4.963 4.726 5.007 0.007 14 0 "[ . 1 . 2]" 1
481 1 15 PHE HE1 1 28 LEU HB2 4.500 . 5.000 3.292 2.895 3.692 . 0 0 "[ . 1 . 2]" 1
482 2 15 PHE HE1 2 28 LEU HB2 4.500 . 5.000 3.292 2.894 3.690 . 0 0 "[ . 1 . 2]" 1
483 1 15 PHE HZ 1 28 LEU HB2 4.500 . 5.000 2.647 2.267 3.045 . 0 0 "[ . 1 . 2]" 1
484 2 15 PHE HZ 2 28 LEU HB2 4.500 . 5.000 2.647 2.267 3.044 . 0 0 "[ . 1 . 2]" 1
485 1 15 PHE HB2 1 28 LEU QD 5.200 . 5.700 4.817 4.370 5.139 . 0 0 "[ . 1 . 2]" 1
486 2 15 PHE HB2 2 28 LEU QD 5.200 . 5.700 4.817 4.371 5.138 . 0 0 "[ . 1 . 2]" 1
487 1 15 PHE HD1 1 28 LEU QD 3.800 . 4.300 3.087 2.828 3.416 . 0 0 "[ . 1 . 2]" 1
488 2 15 PHE HD1 2 28 LEU QD 3.800 . 4.300 3.087 2.827 3.416 . 0 0 "[ . 1 . 2]" 1
489 1 15 PHE HE1 1 28 LEU QD 4.500 . 5.000 2.188 2.016 2.720 . 0 0 "[ . 1 . 2]" 1
490 2 15 PHE HE1 2 28 LEU QD 4.500 . 5.000 2.188 2.016 2.720 . 0 0 "[ . 1 . 2]" 1
491 1 15 PHE HA 1 36 LEU QD 4.500 . 5.000 3.124 2.559 3.693 . 0 0 "[ . 1 . 2]" 1
492 2 15 PHE HA 2 36 LEU QD 4.500 . 5.000 3.124 2.558 3.694 . 0 0 "[ . 1 . 2]" 1
493 1 15 PHE H 1 36 LEU QD 5.200 . 5.700 4.469 4.114 5.059 . 0 0 "[ . 1 . 2]" 1
494 2 15 PHE H 2 36 LEU QD 5.200 . 5.700 4.469 4.114 5.059 . 0 0 "[ . 1 . 2]" 1
495 1 15 PHE HE1 1 69 VAL QG 4.500 . 5.000 3.605 3.206 4.169 . 0 0 "[ . 1 . 2]" 1
496 2 15 PHE HE1 2 69 VAL QG 4.500 . 5.000 3.605 3.205 4.169 . 0 0 "[ . 1 . 2]" 1
497 1 15 PHE HD1 1 71 PHE HA 5.200 . 5.700 4.575 4.062 5.245 . 0 0 "[ . 1 . 2]" 1
498 2 15 PHE HD1 2 71 PHE HA 5.200 . 5.700 4.575 4.064 5.243 . 0 0 "[ . 1 . 2]" 1
499 1 15 PHE HE1 1 71 PHE HA 4.500 . 5.000 3.499 2.962 4.241 . 0 0 "[ . 1 . 2]" 1
500 2 15 PHE HE1 2 71 PHE HA 4.500 . 5.000 3.500 2.965 4.243 . 0 0 "[ . 1 . 2]" 1
501 1 15 PHE HB2 1 71 PHE HE1 4.500 . 5.000 2.923 2.465 3.586 . 0 0 "[ . 1 . 2]" 1
502 2 15 PHE HB2 2 71 PHE HE1 4.500 . 5.000 2.926 2.477 3.587 . 0 0 "[ . 1 . 2]" 1
503 1 15 PHE HE1 1 74 TYR HB2 4.500 . 5.000 2.680 2.273 3.288 . 0 0 "[ . 1 . 2]" 1
504 2 15 PHE HE1 2 74 TYR HB2 4.500 . 5.000 2.680 2.273 3.287 . 0 0 "[ . 1 . 2]" 1
505 1 15 PHE HB2 1 74 TYR HE2 4.500 . 5.000 3.646 3.160 4.018 . 0 0 "[ . 1 . 2]" 1
506 2 15 PHE HB2 2 74 TYR HE2 4.500 . 5.000 3.645 3.159 4.019 . 0 0 "[ . 1 . 2]" 1
507 1 16 HIS HA 1 17 ALA HA 5.200 . 5.700 4.746 4.725 4.772 . 0 0 "[ . 1 . 2]" 1
508 2 16 HIS HA 2 17 ALA HA 5.200 . 5.700 4.746 4.726 4.772 . 0 0 "[ . 1 . 2]" 1
509 1 16 HIS QB 1 17 ALA MB 4.500 . 5.000 3.765 3.681 3.872 . 0 0 "[ . 1 . 2]" 1
510 2 16 HIS QB 2 17 ALA MB 4.500 . 5.000 3.765 3.681 3.873 . 0 0 "[ . 1 . 2]" 1
511 1 16 HIS QB 1 17 ALA H 4.500 . 5.000 2.462 2.363 2.611 . 0 0 "[ . 1 . 2]" 1
512 2 16 HIS QB 2 17 ALA H 4.500 . 5.000 2.462 2.363 2.610 . 0 0 "[ . 1 . 2]" 1
513 1 16 HIS H 1 17 ALA H 4.500 . 5.000 2.783 2.750 2.810 . 0 0 "[ . 1 . 2]" 1
514 2 16 HIS H 2 17 ALA H 4.500 . 5.000 2.783 2.750 2.810 . 0 0 "[ . 1 . 2]" 1
515 1 16 HIS HA 1 19 SER QB 4.500 . 5.000 3.187 2.722 4.135 . 0 0 "[ . 1 . 2]" 1
516 2 16 HIS HA 2 19 SER QB 4.500 . 5.000 3.187 2.723 4.135 . 0 0 "[ . 1 . 2]" 1
517 1 16 HIS HA 1 19 SER H 4.500 . 5.000 3.905 3.695 4.067 . 0 0 "[ . 1 . 2]" 1
518 2 16 HIS HA 2 19 SER H 4.500 . 5.000 3.905 3.696 4.069 . 0 0 "[ . 1 . 2]" 1
519 1 17 ALA MB 1 18 HIS HA 4.500 . 5.000 3.755 3.711 3.773 . 0 0 "[ . 1 . 2]" 1
520 2 17 ALA MB 2 18 HIS HA 4.500 . 5.000 3.756 3.712 3.773 . 0 0 "[ . 1 . 2]" 1
521 1 17 ALA MB 1 18 HIS HB2 4.500 . 5.000 4.326 3.895 4.559 . 0 0 "[ . 1 . 2]" 1
522 2 17 ALA MB 2 18 HIS HB2 4.500 . 5.000 4.326 3.895 4.561 . 0 0 "[ . 1 . 2]" 1
523 1 17 ALA MB 1 18 HIS H 4.500 . 5.000 2.388 2.271 2.516 . 0 0 "[ . 1 . 2]" 1
524 2 17 ALA MB 2 18 HIS H 4.500 . 5.000 2.388 2.271 2.516 . 0 0 "[ . 1 . 2]" 1
525 1 17 ALA H 1 18 HIS H 3.800 . 4.300 2.788 2.711 2.837 . 0 0 "[ . 1 . 2]" 1
526 2 17 ALA H 2 18 HIS H 3.800 . 4.300 2.788 2.711 2.837 . 0 0 "[ . 1 . 2]" 1
527 1 17 ALA H 1 19 SER H 4.500 . 5.000 4.253 4.189 4.342 . 0 0 "[ . 1 . 2]" 1
528 2 17 ALA H 2 19 SER H 4.500 . 5.000 4.253 4.189 4.342 . 0 0 "[ . 1 . 2]" 1
529 2 17 ALA MB 2 21 LYS QB 4.500 . 5.000 4.382 4.243 4.512 . 0 0 "[ . 1 . 2]" 1
530 1 17 ALA MB 1 21 LYS HB3 5.200 . 5.700 5.551 5.207 5.709 0.009 9 0 "[ . 1 . 2]" 1
531 1 17 ALA MB 1 21 LYS H 5.200 . 5.700 4.706 4.568 4.789 . 0 0 "[ . 1 . 2]" 1
532 2 17 ALA MB 2 21 LYS H 5.200 . 5.700 4.707 4.568 4.790 . 0 0 "[ . 1 . 2]" 1
533 1 18 HIS H 1 19 SER H 3.800 . 4.300 2.755 2.718 2.801 . 0 0 "[ . 1 . 2]" 1
534 2 18 HIS H 2 19 SER H 3.800 . 4.300 2.755 2.717 2.796 . 0 0 "[ . 1 . 2]" 1
535 1 18 HIS HA 1 21 LYS QD 4.500 . 5.000 3.863 3.597 4.209 . 0 0 "[ . 1 . 2]" 1
536 2 18 HIS HA 2 21 LYS QD 4.500 . 5.000 3.863 3.596 4.209 . 0 0 "[ . 1 . 2]" 1
537 1 18 HIS HA 1 21 LYS HD3 4.500 . 5.000 4.372 4.067 4.699 . 0 0 "[ . 1 . 2]" 1
538 2 18 HIS HA 2 21 LYS HD3 4.500 . 5.000 4.372 4.066 4.702 . 0 0 "[ . 1 . 2]" 1
539 1 18 HIS HA 1 21 LYS HD2 4.500 . 5.000 4.309 4.005 4.967 . 0 0 "[ . 1 . 2]" 1
540 2 18 HIS HA 2 21 LYS HD2 4.500 . 5.000 4.309 4.005 4.968 . 0 0 "[ . 1 . 2]" 1
541 1 18 HIS HB3 1 28 LEU QD 4.500 . 5.000 3.769 2.845 4.614 . 0 0 "[ . 1 . 2]" 1
542 2 18 HIS HB3 2 28 LEU QD 4.500 . 5.000 3.769 2.845 4.612 . 0 0 "[ . 1 . 2]" 1
543 1 18 HIS HB2 1 28 LEU QD 4.500 . 5.000 3.986 3.257 5.002 0.002 20 0 "[ . 1 . 2]" 1
544 2 18 HIS HB2 2 28 LEU QD 4.500 . 5.000 3.986 3.256 5.001 0.001 20 0 "[ . 1 . 2]" 1
545 1 18 HIS H 1 28 LEU QD 5.200 . 5.700 5.262 4.638 5.710 0.010 12 0 "[ . 1 . 2]" 1
546 2 18 HIS H 2 28 LEU QD 5.200 . 5.700 5.262 4.637 5.711 0.011 12 0 "[ . 1 . 2]" 1
547 1 18 HIS HB3 1 36 LEU QD 4.500 . 5.000 2.275 2.103 2.917 . 0 0 "[ . 1 . 2]" 1
548 2 18 HIS HB3 2 36 LEU QD 4.500 . 5.000 2.275 2.103 2.917 . 0 0 "[ . 1 . 2]" 1
549 1 18 HIS HB2 1 36 LEU QD 3.800 . 4.300 2.332 1.987 2.999 . 0 0 "[ . 1 . 2]" 1
550 2 18 HIS HB2 2 36 LEU QD 3.800 . 4.300 2.332 1.988 2.999 . 0 0 "[ . 1 . 2]" 1
551 1 18 HIS HB2 1 36 LEU MD1 4.500 . 5.000 2.547 2.002 3.494 . 0 0 "[ . 1 . 2]" 1
552 2 18 HIS HB2 2 36 LEU MD1 4.500 . 5.000 2.548 2.002 3.495 . 0 0 "[ . 1 . 2]" 1
553 1 18 HIS HB2 1 36 LEU MD2 4.500 . 5.000 3.273 2.354 5.002 0.002 7 0 "[ . 1 . 2]" 1
554 2 18 HIS HB2 2 36 LEU MD2 4.500 . 5.000 3.273 2.356 5.001 0.001 7 0 "[ . 1 . 2]" 1
555 1 19 SER H 1 20 GLY H 4.500 . 5.000 2.652 2.571 2.738 . 0 0 "[ . 1 . 2]" 1
556 2 19 SER H 2 20 GLY H 4.500 . 5.000 2.652 2.569 2.737 . 0 0 "[ . 1 . 2]" 1
557 1 19 SER HA 1 28 LEU HA 4.500 . 5.000 3.779 3.226 4.115 . 0 0 "[ . 1 . 2]" 1
558 2 19 SER HA 2 28 LEU HA 4.500 . 5.000 3.779 3.227 4.115 . 0 0 "[ . 1 . 2]" 1
559 1 19 SER QB 1 28 LEU HB2 4.500 . 5.000 3.210 2.677 4.096 . 0 0 "[ . 1 . 2]" 1
560 2 19 SER QB 2 28 LEU HB2 4.500 . 5.000 3.210 2.677 4.097 . 0 0 "[ . 1 . 2]" 1
561 1 19 SER HA 1 28 LEU QD 3.800 . 4.300 2.571 2.004 3.796 . 0 0 "[ . 1 . 2]" 1
562 2 19 SER HA 2 28 LEU QD 3.800 . 4.300 2.571 2.004 3.796 . 0 0 "[ . 1 . 2]" 1
563 1 19 SER QB 1 28 LEU QD 4.500 . 5.000 2.395 2.041 3.826 . 0 0 "[ . 1 . 2]" 1
564 2 19 SER QB 2 28 LEU QD 4.500 . 5.000 2.395 2.041 3.826 . 0 0 "[ . 1 . 2]" 1
565 1 19 SER H 1 28 LEU QD 4.500 . 5.000 3.524 3.078 4.217 . 0 0 "[ . 1 . 2]" 1
566 2 19 SER H 2 28 LEU QD 4.500 . 5.000 3.524 3.078 4.217 . 0 0 "[ . 1 . 2]" 1
567 1 20 GLY QA 1 21 LYS HA 5.200 . 5.700 4.037 4.012 4.048 . 0 0 "[ . 1 . 2]" 1
568 2 20 GLY QA 2 21 LYS HA 5.200 . 5.700 4.037 4.013 4.048 . 0 0 "[ . 1 . 2]" 1
569 1 20 GLY H 1 21 LYS H 4.500 . 5.000 2.683 2.601 2.771 . 0 0 "[ . 1 . 2]" 1
570 2 20 GLY H 2 21 LYS H 4.500 . 5.000 2.683 2.602 2.770 . 0 0 "[ . 1 . 2]" 1
571 1 20 GLY HA3 1 25 LYS HA 4.500 . 5.000 3.839 3.580 4.125 . 0 0 "[ . 1 . 2]" 1
572 2 20 GLY HA3 2 25 LYS HA 4.500 . 5.000 3.840 3.581 4.124 . 0 0 "[ . 1 . 2]" 1
573 1 20 GLY HA2 1 25 LYS HA 4.500 . 5.000 2.344 2.197 3.129 . 0 0 "[ . 1 . 2]" 1
574 2 20 GLY HA2 2 25 LYS HA 4.500 . 5.000 2.344 2.198 3.129 . 0 0 "[ . 1 . 2]" 1
575 1 20 GLY QA 1 25 LYS QB 4.500 . 5.000 2.917 2.178 3.686 . 0 0 "[ . 1 . 2]" 1
576 2 20 GLY QA 2 25 LYS QB 4.500 . 5.000 2.917 2.179 3.685 . 0 0 "[ . 1 . 2]" 1
577 1 20 GLY QA 1 25 LYS QD 4.500 . 5.000 3.175 1.963 3.738 . 0 0 "[ . 1 . 2]" 1
578 2 20 GLY QA 2 25 LYS QD 4.500 . 5.000 3.175 1.962 3.739 . 0 0 "[ . 1 . 2]" 1
579 1 20 GLY HA3 1 25 LYS HD3 5.200 . 5.700 4.323 3.330 5.276 . 0 0 "[ . 1 . 2]" 1
580 2 20 GLY HA3 2 25 LYS HD3 5.200 . 5.700 4.323 3.330 5.277 . 0 0 "[ . 1 . 2]" 1
581 1 20 GLY HA2 1 25 LYS HD3 5.200 . 5.700 3.972 2.249 4.895 . 0 0 "[ . 1 . 2]" 1
582 2 20 GLY HA2 2 25 LYS HD3 5.200 . 5.700 3.972 2.247 4.897 . 0 0 "[ . 1 . 2]" 1
583 1 20 GLY HA3 1 25 LYS HD2 5.200 . 5.700 4.542 2.815 5.715 0.015 13 0 "[ . 1 . 2]" 1
584 2 20 GLY HA3 2 25 LYS HD2 5.200 . 5.700 4.542 2.815 5.714 0.014 13 0 "[ . 1 . 2]" 1
585 1 20 GLY HA2 1 25 LYS HD2 5.200 . 5.700 4.187 2.275 5.363 . 0 0 "[ . 1 . 2]" 1
586 2 20 GLY HA2 2 25 LYS HD2 5.200 . 5.700 4.187 2.274 5.362 . 0 0 "[ . 1 . 2]" 1
587 1 20 GLY QA 1 25 LYS QE 4.500 . 5.000 3.766 2.263 5.008 0.008 12 0 "[ . 1 . 2]" 1
588 2 20 GLY QA 2 25 LYS QE 4.500 . 5.000 3.766 2.262 5.008 0.008 12 0 "[ . 1 . 2]" 1
589 1 21 LYS H 1 21 LYS HB3 3.800 . 4.300 2.595 2.580 2.623 . 0 0 "[ . 1 . 2]" 1
590 2 21 LYS H 2 21 LYS HB3 3.800 . 4.300 2.596 2.581 2.623 . 0 0 "[ . 1 . 2]" 1
591 1 21 LYS H 1 21 LYS HB2 3.800 . 4.300 2.444 2.417 2.475 . 0 0 "[ . 1 . 2]" 1
592 2 21 LYS H 2 21 LYS HB2 3.800 . 4.300 2.444 2.417 2.474 . 0 0 "[ . 1 . 2]" 1
593 1 21 LYS HA 1 21 LYS QD 4.500 . 5.000 3.971 3.966 3.975 . 0 0 "[ . 1 . 2]" 1
594 2 21 LYS HA 2 21 LYS QD 4.500 . 5.000 3.971 3.966 3.975 . 0 0 "[ . 1 . 2]" 1
595 1 21 LYS H 1 21 LYS QD 4.500 . 5.000 4.395 4.366 4.431 . 0 0 "[ . 1 . 2]" 1
596 2 21 LYS H 2 21 LYS QD 4.500 . 5.000 4.395 4.367 4.431 . 0 0 "[ . 1 . 2]" 1
597 1 21 LYS HA 1 21 LYS QG 3.800 . 4.300 2.355 2.337 2.362 . 0 0 "[ . 1 . 2]" 1
598 2 21 LYS HA 2 21 LYS QG 3.800 . 4.300 2.355 2.337 2.361 . 0 0 "[ . 1 . 2]" 1
599 1 21 LYS QE 1 22 GLU HA 5.200 . 5.700 5.707 5.680 5.716 0.016 12 0 "[ . 1 . 2]" 1
600 2 21 LYS QE 2 22 GLU HA 5.200 . 5.700 5.706 5.679 5.716 0.016 11 0 "[ . 1 . 2]" 1
601 1 21 LYS H 1 22 GLU HA 5.200 . 5.700 5.382 5.340 5.435 . 0 0 "[ . 1 . 2]" 1
602 2 21 LYS H 2 22 GLU HA 5.200 . 5.700 5.382 5.339 5.436 . 0 0 "[ . 1 . 2]" 1
603 1 21 LYS QG 1 22 GLU QB 4.500 . 5.000 4.199 4.097 4.453 . 0 0 "[ . 1 . 2]" 1
604 2 21 LYS QG 2 22 GLU QB 4.500 . 5.000 4.199 4.097 4.454 . 0 0 "[ . 1 . 2]" 1
605 1 21 LYS QE 1 22 GLU QG 4.500 . 5.000 3.524 3.322 4.047 . 0 0 "[ . 1 . 2]" 1
606 2 21 LYS QE 2 22 GLU QG 4.500 . 5.000 3.524 3.321 4.046 . 0 0 "[ . 1 . 2]" 1
607 1 21 LYS QD 1 22 GLU H 4.500 . 5.000 4.493 4.427 4.559 . 0 0 "[ . 1 . 2]" 1
608 2 21 LYS QD 2 22 GLU H 4.500 . 5.000 4.493 4.427 4.559 . 0 0 "[ . 1 . 2]" 1
609 1 21 LYS QG 1 22 GLU H 4.500 . 5.000 3.649 3.627 3.717 . 0 0 "[ . 1 . 2]" 1
610 2 21 LYS QG 2 22 GLU H 4.500 . 5.000 3.650 3.626 3.717 . 0 0 "[ . 1 . 2]" 1
611 1 21 LYS H 1 22 GLU H 3.800 . 4.300 2.833 2.745 2.892 . 0 0 "[ . 1 . 2]" 1
612 2 21 LYS H 2 22 GLU H 3.800 . 4.300 2.832 2.745 2.893 . 0 0 "[ . 1 . 2]" 1
613 1 22 GLU H 1 22 GLU QG 3.800 . 4.300 2.829 2.717 2.899 . 0 0 "[ . 1 . 2]" 1
614 2 22 GLU H 2 22 GLU QG 3.800 . 4.300 2.829 2.717 2.900 . 0 0 "[ . 1 . 2]" 1
615 1 25 LYS HA 1 25 LYS QD 4.500 . 5.000 3.668 2.139 3.979 . 0 0 "[ . 1 . 2]" 1
616 2 25 LYS HA 2 25 LYS QD 4.500 . 5.000 3.668 2.139 3.979 . 0 0 "[ . 1 . 2]" 1
617 1 25 LYS HA 1 25 LYS HD3 5.200 . 5.700 4.064 2.215 4.715 . 0 0 "[ . 1 . 2]" 1
618 2 25 LYS HA 2 25 LYS HD3 5.200 . 5.700 4.064 2.216 4.716 . 0 0 "[ . 1 . 2]" 1
619 1 25 LYS HA 1 25 LYS HD2 5.200 . 5.700 4.256 2.820 4.710 . 0 0 "[ . 1 . 2]" 1
620 2 25 LYS HA 2 25 LYS HD2 5.200 . 5.700 4.256 2.818 4.710 . 0 0 "[ . 1 . 2]" 1
621 1 25 LYS HA 1 25 LYS QE 4.500 . 5.000 4.543 4.110 4.757 . 0 0 "[ . 1 . 2]" 1
622 2 25 LYS HA 2 25 LYS QE 4.500 . 5.000 4.543 4.111 4.757 . 0 0 "[ . 1 . 2]" 1
623 1 25 LYS HA 1 25 LYS QG 3.800 . 4.300 2.448 2.317 2.984 . 0 0 "[ . 1 . 2]" 1
624 2 25 LYS HA 2 25 LYS QG 3.800 . 4.300 2.448 2.318 2.983 . 0 0 "[ . 1 . 2]" 1
625 1 25 LYS QB 1 26 TYR QD 4.500 . 5.000 3.447 2.579 3.784 . 0 0 "[ . 1 . 2]" 1
626 2 25 LYS QB 2 26 TYR QD 4.500 . 5.000 3.448 2.579 3.784 . 0 0 "[ . 1 . 2]" 1
627 1 25 LYS QG 1 26 TYR QD 4.500 . 5.000 4.719 4.504 4.917 . 0 0 "[ . 1 . 2]" 1
628 2 25 LYS QG 2 26 TYR QD 4.500 . 5.000 4.719 4.503 4.917 . 0 0 "[ . 1 . 2]" 1
629 1 25 LYS QB 1 26 TYR H 4.500 . 5.000 2.543 2.471 2.596 . 0 0 "[ . 1 . 2]" 1
630 2 25 LYS QB 2 26 TYR H 4.500 . 5.000 2.543 2.471 2.596 . 0 0 "[ . 1 . 2]" 1
631 1 26 TYR HA 1 26 TYR QD 3.800 . 4.300 2.662 2.178 2.827 . 0 0 "[ . 1 . 2]" 1
632 2 26 TYR HA 2 26 TYR QD 3.800 . 4.300 2.662 2.177 2.826 . 0 0 "[ . 1 . 2]" 1
633 1 26 TYR QB 1 27 LYS H 4.500 . 5.000 2.765 2.698 2.896 . 0 0 "[ . 1 . 2]" 1
634 2 26 TYR QB 2 27 LYS H 4.500 . 5.000 2.765 2.698 2.897 . 0 0 "[ . 1 . 2]" 1
635 1 26 TYR H 1 27 LYS H 3.800 . 4.300 2.709 2.667 2.761 . 0 0 "[ . 1 . 2]" 1
636 2 26 TYR H 2 27 LYS H 3.800 . 4.300 2.709 2.667 2.761 . 0 0 "[ . 1 . 2]" 1
637 1 27 LYS HA 1 27 LYS QD 4.500 . 5.000 3.835 2.131 4.162 . 0 0 "[ . 1 . 2]" 1
638 2 27 LYS HA 2 27 LYS QD 4.500 . 5.000 3.835 2.132 4.162 . 0 0 "[ . 1 . 2]" 1
639 1 27 LYS HA 1 27 LYS HD3 5.200 . 5.700 4.201 2.198 4.702 . 0 0 "[ . 1 . 2]" 1
640 2 27 LYS HA 2 27 LYS HD3 5.200 . 5.700 4.201 2.198 4.702 . 0 0 "[ . 1 . 2]" 1
641 1 27 LYS HA 1 27 LYS HD2 5.200 . 5.700 4.477 2.867 4.782 . 0 0 "[ . 1 . 2]" 1
642 2 27 LYS HA 2 27 LYS HD2 5.200 . 5.700 4.477 2.868 4.782 . 0 0 "[ . 1 . 2]" 1
643 1 27 LYS HA 1 27 LYS HE3 5.200 . 5.700 5.091 3.951 5.525 . 0 0 "[ . 1 . 2]" 1
644 2 27 LYS HA 2 27 LYS HE3 5.200 . 5.700 5.091 3.952 5.525 . 0 0 "[ . 1 . 2]" 1
645 1 27 LYS HA 1 27 LYS HE2 5.200 . 5.700 4.878 4.460 5.127 . 0 0 "[ . 1 . 2]" 1
646 2 27 LYS HA 2 27 LYS HE2 5.200 . 5.700 4.879 4.459 5.129 . 0 0 "[ . 1 . 2]" 1
647 1 27 LYS H 1 27 LYS QG 4.500 . 5.000 2.768 2.600 2.859 . 0 0 "[ . 1 . 2]" 1
648 2 27 LYS H 2 27 LYS QG 4.500 . 5.000 2.769 2.602 2.860 . 0 0 "[ . 1 . 2]" 1
649 1 27 LYS QB 1 68 GLU QG 4.500 . 5.000 4.738 3.887 5.014 0.014 7 0 "[ . 1 . 2]" 1
650 2 27 LYS QB 2 68 GLU QG 4.500 . 5.000 4.738 3.887 5.014 0.014 7 0 "[ . 1 . 2]" 1
651 1 27 LYS QD 1 68 GLU QG 4.500 . 5.000 4.671 3.850 5.012 0.012 9 0 "[ . 1 . 2]" 1
652 2 27 LYS QD 2 68 GLU QG 4.500 . 5.000 4.671 3.850 5.013 0.013 9 0 "[ . 1 . 2]" 1
653 1 28 LEU H 1 28 LEU HB2 3.800 . 4.300 2.859 2.706 2.925 . 0 0 "[ . 1 . 2]" 1
654 2 28 LEU H 2 28 LEU HB2 3.800 . 4.300 2.859 2.706 2.925 . 0 0 "[ . 1 . 2]" 1
655 1 28 LEU HA 1 28 LEU QD 3.800 . 4.300 2.322 2.105 3.000 . 0 0 "[ . 1 . 2]" 1
656 2 28 LEU HA 2 28 LEU QD 3.800 . 4.300 2.322 2.104 3.000 . 0 0 "[ . 1 . 2]" 1
657 1 28 LEU H 1 28 LEU QD 4.500 . 5.000 3.820 3.622 3.859 . 0 0 "[ . 1 . 2]" 1
658 2 28 LEU H 2 28 LEU QD 4.500 . 5.000 3.820 3.622 3.859 . 0 0 "[ . 1 . 2]" 1
659 1 28 LEU HA 1 28 LEU MD1 4.500 . 5.000 2.459 2.139 3.530 . 0 0 "[ . 1 . 2]" 1
660 2 28 LEU HA 2 28 LEU MD1 4.500 . 5.000 2.459 2.139 3.529 . 0 0 "[ . 1 . 2]" 1
661 1 28 LEU HA 1 28 LEU MD2 4.500 . 5.000 3.650 2.204 3.880 . 0 0 "[ . 1 . 2]" 1
662 2 28 LEU HA 2 28 LEU MD2 4.500 . 5.000 3.649 2.203 3.880 . 0 0 "[ . 1 . 2]" 1
663 1 28 LEU HB2 1 29 SER H 4.500 . 5.000 4.308 4.200 4.452 . 0 0 "[ . 1 . 2]" 1
664 2 28 LEU HB2 2 29 SER H 4.500 . 5.000 4.308 4.199 4.452 . 0 0 "[ . 1 . 2]" 1
665 1 28 LEU QD 1 29 SER H 4.500 . 5.000 2.737 2.123 3.126 . 0 0 "[ . 1 . 2]" 1
666 2 28 LEU QD 2 29 SER H 4.500 . 5.000 2.737 2.122 3.126 . 0 0 "[ . 1 . 2]" 1
667 1 28 LEU QD 1 32 GLU QB 4.500 . 5.000 2.098 1.878 2.722 . 0 0 "[ . 1 . 2]" 1
668 2 28 LEU QD 2 32 GLU QB 4.500 . 5.000 2.098 1.878 2.721 . 0 0 "[ . 1 . 2]" 1
669 1 28 LEU QD 1 33 LEU HA 3.800 . 4.300 2.714 2.224 3.093 . 0 0 "[ . 1 . 2]" 1
670 2 28 LEU QD 2 33 LEU HA 3.800 . 4.300 2.714 2.224 3.094 . 0 0 "[ . 1 . 2]" 1
671 1 28 LEU MD1 1 33 LEU HA 4.500 . 5.000 3.647 3.197 4.061 . 0 0 "[ . 1 . 2]" 1
672 2 28 LEU MD1 2 33 LEU HA 4.500 . 5.000 3.647 3.196 4.062 . 0 0 "[ . 1 . 2]" 1
673 1 28 LEU MD2 1 33 LEU HA 4.500 . 5.000 2.846 2.249 4.099 . 0 0 "[ . 1 . 2]" 1
674 2 28 LEU MD2 2 33 LEU HA 4.500 . 5.000 2.846 2.250 4.100 . 0 0 "[ . 1 . 2]" 1
675 1 28 LEU QD 1 33 LEU QB 4.500 . 5.000 2.416 1.978 2.856 . 0 0 "[ . 1 . 2]" 1
676 2 28 LEU QD 2 33 LEU QB 4.500 . 5.000 2.417 1.978 2.856 . 0 0 "[ . 1 . 2]" 1
677 1 28 LEU QD 1 33 LEU QD 4.500 . 5.000 2.150 1.861 2.768 . 0 0 "[ . 1 . 2]" 1
678 2 28 LEU QD 2 33 LEU QD 4.500 . 5.000 2.151 1.862 2.769 . 0 0 "[ . 1 . 2]" 1
679 1 28 LEU QD 1 33 LEU HG 4.500 . 5.000 4.099 2.584 4.518 . 0 0 "[ . 1 . 2]" 1
680 2 28 LEU QD 2 33 LEU HG 4.500 . 5.000 4.099 2.584 4.519 . 0 0 "[ . 1 . 2]" 1
681 1 28 LEU QD 1 33 LEU H 4.500 . 5.000 3.169 2.298 3.602 . 0 0 "[ . 1 . 2]" 1
682 2 28 LEU QD 2 33 LEU H 4.500 . 5.000 3.169 2.298 3.601 . 0 0 "[ . 1 . 2]" 1
683 1 28 LEU QD 1 34 LYS H 5.200 . 5.700 4.972 4.489 5.410 . 0 0 "[ . 1 . 2]" 1
684 2 28 LEU QD 2 34 LYS H 5.200 . 5.700 4.972 4.489 5.409 . 0 0 "[ . 1 . 2]" 1
685 1 28 LEU QD 1 36 LEU QD 4.500 . 5.000 2.793 2.360 3.189 . 0 0 "[ . 1 . 2]" 1
686 2 28 LEU QD 2 36 LEU QD 4.500 . 5.000 2.793 2.361 3.189 . 0 0 "[ . 1 . 2]" 1
687 1 28 LEU QD 1 58 MET ME 5.200 . 5.700 4.933 4.153 5.612 . 0 0 "[ . 1 . 2]" 1
688 2 28 LEU QD 2 58 MET ME 5.200 . 5.700 4.933 4.153 5.612 . 0 0 "[ . 1 . 2]" 1
689 1 28 LEU QD 1 69 VAL QG 3.800 . 4.300 2.617 1.959 3.005 . 0 0 "[ . 1 . 2]" 1
690 2 28 LEU QD 2 69 VAL QG 3.800 . 4.300 2.617 1.960 3.006 . 0 0 "[ . 1 . 2]" 1
691 1 28 LEU H 1 69 VAL H 4.500 . 5.000 4.716 4.299 5.014 0.014 4 0 "[ . 1 . 2]" 1
692 2 28 LEU H 2 69 VAL H 4.500 . 5.000 4.717 4.298 5.014 0.014 4 0 "[ . 1 . 2]" 1
693 1 28 LEU HB3 1 74 TYR HB2 4.500 . 5.000 4.992 4.802 5.021 0.021 5 0 "[ . 1 . 2]" 1
694 2 28 LEU HB3 2 74 TYR HB2 4.500 . 5.000 4.991 4.803 5.021 0.021 5 0 "[ . 1 . 2]" 1
695 1 28 LEU QD 1 74 TYR HB2 4.500 . 5.000 3.504 3.089 4.175 . 0 0 "[ . 1 . 2]" 1
696 2 28 LEU QD 2 74 TYR HB2 4.500 . 5.000 3.504 3.089 4.175 . 0 0 "[ . 1 . 2]" 1
697 1 28 LEU QD 1 74 TYR H 5.200 . 5.700 5.301 4.911 5.712 0.012 7 0 "[ . 1 . 2]" 1
698 2 28 LEU QD 2 74 TYR H 5.200 . 5.700 5.301 4.912 5.712 0.012 7 0 "[ . 1 . 2]" 1
699 1 29 SER QB 1 30 LYS H 4.500 . 5.000 2.891 2.536 3.549 . 0 0 "[ . 1 . 2]" 1
700 2 29 SER QB 2 30 LYS H 4.500 . 5.000 2.891 2.535 3.549 . 0 0 "[ . 1 . 2]" 1
701 1 29 SER HB3 1 30 LYS H 4.500 . 5.000 3.342 2.580 4.030 . 0 0 "[ . 1 . 2]" 1
702 2 29 SER HB3 2 30 LYS H 4.500 . 5.000 3.342 2.579 4.031 . 0 0 "[ . 1 . 2]" 1
703 1 29 SER HB2 1 30 LYS H 4.500 . 5.000 3.610 2.643 4.106 . 0 0 "[ . 1 . 2]" 1
704 2 29 SER HB2 2 30 LYS H 4.500 . 5.000 3.610 2.643 4.106 . 0 0 "[ . 1 . 2]" 1
705 1 29 SER QB 1 31 LYS H 4.500 . 5.000 2.962 2.678 3.364 . 0 0 "[ . 1 . 2]" 1
706 2 29 SER QB 2 31 LYS H 4.500 . 5.000 2.962 2.677 3.364 . 0 0 "[ . 1 . 2]" 1
707 1 29 SER H 1 32 GLU QB 4.500 . 5.000 2.484 2.280 2.814 . 0 0 "[ . 1 . 2]" 1
708 2 29 SER H 2 32 GLU QB 4.500 . 5.000 2.484 2.281 2.814 . 0 0 "[ . 1 . 2]" 1
709 1 29 SER H 1 32 GLU HB3 4.500 . 5.000 3.746 2.516 4.269 . 0 0 "[ . 1 . 2]" 1
710 2 29 SER H 2 32 GLU HB3 4.500 . 5.000 3.746 2.515 4.268 . 0 0 "[ . 1 . 2]" 1
711 1 29 SER H 1 32 GLU HB2 4.500 . 5.000 2.583 2.304 3.193 . 0 0 "[ . 1 . 2]" 1
712 2 29 SER H 2 32 GLU HB2 4.500 . 5.000 2.583 2.305 3.192 . 0 0 "[ . 1 . 2]" 1
713 1 29 SER H 1 32 GLU H 4.500 . 5.000 3.747 3.564 4.045 . 0 0 "[ . 1 . 2]" 1
714 2 29 SER H 2 32 GLU H 4.500 . 5.000 3.747 3.564 4.045 . 0 0 "[ . 1 . 2]" 1
715 1 29 SER HA 1 68 GLU QG 3.800 . 4.300 4.046 3.207 4.306 0.006 6 0 "[ . 1 . 2]" 1
716 2 29 SER HA 2 68 GLU QG 3.800 . 4.300 4.047 3.207 4.306 0.006 6 0 "[ . 1 . 2]" 1
717 1 30 LYS H 1 30 LYS HB3 3.800 . 4.300 2.670 2.472 2.795 . 0 0 "[ . 1 . 2]" 1
718 2 30 LYS H 2 30 LYS HB3 3.800 . 4.300 2.671 2.471 2.795 . 0 0 "[ . 1 . 2]" 1
719 1 30 LYS H 1 30 LYS HB2 3.800 . 4.300 2.517 2.446 2.566 . 0 0 "[ . 1 . 2]" 1
720 2 30 LYS H 2 30 LYS HB2 3.800 . 4.300 2.517 2.446 2.566 . 0 0 "[ . 1 . 2]" 1
721 1 30 LYS HA 1 30 LYS QD 4.500 . 5.000 3.422 2.147 4.097 . 0 0 "[ . 1 . 2]" 1
722 2 30 LYS HA 2 30 LYS QD 4.500 . 5.000 3.422 2.148 4.097 . 0 0 "[ . 1 . 2]" 1
723 1 30 LYS HA 1 30 LYS HD3 4.500 . 5.000 4.111 2.910 4.721 . 0 0 "[ . 1 . 2]" 1
724 2 30 LYS HA 2 30 LYS HD3 4.500 . 5.000 4.111 2.910 4.721 . 0 0 "[ . 1 . 2]" 1
725 1 30 LYS HA 1 30 LYS HD2 4.500 . 5.000 3.697 2.194 4.495 . 0 0 "[ . 1 . 2]" 1
726 2 30 LYS HA 2 30 LYS HD2 4.500 . 5.000 3.697 2.195 4.496 . 0 0 "[ . 1 . 2]" 1
727 1 30 LYS H 1 30 LYS QG 4.500 . 5.000 3.986 3.935 4.045 . 0 0 "[ . 1 . 2]" 1
728 2 30 LYS H 2 30 LYS QG 4.500 . 5.000 3.986 3.934 4.046 . 0 0 "[ . 1 . 2]" 1
729 1 30 LYS H 1 30 LYS HG3 5.200 . 5.700 4.415 4.346 4.451 . 0 0 "[ . 1 . 2]" 1
730 2 30 LYS H 2 30 LYS HG3 5.200 . 5.700 4.415 4.345 4.451 . 0 0 "[ . 1 . 2]" 1
731 1 30 LYS H 1 30 LYS HG2 5.200 . 5.700 4.540 4.467 4.647 . 0 0 "[ . 1 . 2]" 1
732 2 30 LYS H 2 30 LYS HG2 5.200 . 5.700 4.540 4.469 4.648 . 0 0 "[ . 1 . 2]" 1
733 1 30 LYS QD 1 31 LYS HA 4.500 . 5.000 4.798 4.453 5.026 0.026 15 0 "[ . 1 . 2]" 1
734 2 30 LYS QD 2 31 LYS HA 4.500 . 5.000 4.798 4.453 5.027 0.027 15 0 "[ . 1 . 2]" 1
735 1 30 LYS QB 1 31 LYS H 3.800 . 4.300 2.646 2.519 2.712 . 0 0 "[ . 1 . 2]" 1
736 2 30 LYS QB 2 31 LYS H 3.800 . 4.300 2.646 2.520 2.712 . 0 0 "[ . 1 . 2]" 1
737 1 30 LYS QG 1 31 LYS H 4.500 . 5.000 3.722 3.450 3.867 . 0 0 "[ . 1 . 2]" 1
738 2 30 LYS QG 2 31 LYS H 4.500 . 5.000 3.722 3.452 3.867 . 0 0 "[ . 1 . 2]" 1
739 1 30 LYS H 1 31 LYS H 4.500 . 5.000 2.790 2.688 2.879 . 0 0 "[ . 1 . 2]" 1
740 2 30 LYS H 2 31 LYS H 4.500 . 5.000 2.790 2.688 2.879 . 0 0 "[ . 1 . 2]" 1
741 1 30 LYS HA 1 33 LEU QB 4.500 . 5.000 2.180 2.034 2.413 . 0 0 "[ . 1 . 2]" 1
742 2 30 LYS HA 2 33 LEU QB 4.500 . 5.000 2.180 2.035 2.413 . 0 0 "[ . 1 . 2]" 1
743 1 30 LYS HA 1 33 LEU QD 4.500 . 5.000 3.083 2.852 3.262 . 0 0 "[ . 1 . 2]" 1
744 2 30 LYS HA 2 33 LEU QD 4.500 . 5.000 3.083 2.853 3.259 . 0 0 "[ . 1 . 2]" 1
745 1 30 LYS QG 1 33 LEU QD 5.200 . 5.700 3.026 2.210 4.226 . 0 0 "[ . 1 . 2]" 1
746 2 30 LYS QG 2 33 LEU QD 5.200 . 5.700 3.026 2.209 4.227 . 0 0 "[ . 1 . 2]" 1
747 1 30 LYS HA 1 33 LEU H 4.500 . 5.000 2.939 2.762 3.217 . 0 0 "[ . 1 . 2]" 1
748 2 30 LYS HA 2 33 LEU H 4.500 . 5.000 2.939 2.762 3.217 . 0 0 "[ . 1 . 2]" 1
749 1 30 LYS QD 1 34 LYS H 4.500 . 5.000 4.722 3.782 5.069 0.069 2 0 "[ . 1 . 2]" 1
750 2 30 LYS QD 2 34 LYS H 4.500 . 5.000 4.722 3.782 5.068 0.068 2 0 "[ . 1 . 2]" 1
751 1 30 LYS QD 1 54 VAL QG 4.500 . 5.000 3.845 3.208 4.736 . 0 0 "[ . 1 . 2]" 1
752 2 30 LYS QD 2 54 VAL QG 4.500 . 5.000 3.845 3.209 4.735 . 0 0 "[ . 1 . 2]" 1
753 1 30 LYS QE 1 54 VAL QG 3.800 . 4.300 2.475 1.931 4.304 0.004 1 0 "[ . 1 . 2]" 1
754 2 30 LYS QE 2 54 VAL QG 3.800 . 4.300 2.475 1.931 4.304 0.004 1 0 "[ . 1 . 2]" 1
755 1 30 LYS QG 1 54 VAL QG 4.500 . 5.000 3.768 3.307 4.868 . 0 0 "[ . 1 . 2]" 1
756 2 30 LYS QG 2 54 VAL QG 4.500 . 5.000 3.768 3.307 4.867 . 0 0 "[ . 1 . 2]" 1
757 1 30 LYS HE3 1 54 VAL MG1 5.200 . 5.700 3.171 2.224 5.529 . 0 0 "[ . 1 . 2]" 1
758 2 30 LYS HE3 2 54 VAL MG1 5.200 . 5.700 3.171 2.222 5.530 . 0 0 "[ . 1 . 2]" 1
759 1 30 LYS HE2 1 54 VAL MG1 5.200 . 5.700 3.073 2.210 5.076 . 0 0 "[ . 1 . 2]" 1
760 2 30 LYS HE2 2 54 VAL MG1 5.200 . 5.700 3.073 2.211 5.077 . 0 0 "[ . 1 . 2]" 1
761 1 30 LYS HE3 1 54 VAL MG2 5.200 . 5.700 3.925 2.345 5.649 . 0 0 "[ . 1 . 2]" 1
762 2 30 LYS HE3 2 54 VAL MG2 5.200 . 5.700 3.926 2.346 5.648 . 0 0 "[ . 1 . 2]" 1
763 1 30 LYS HE2 1 54 VAL MG2 5.200 . 5.700 3.576 2.127 5.681 . 0 0 "[ . 1 . 2]" 1
764 2 30 LYS HE2 2 54 VAL MG2 5.200 . 5.700 3.577 2.127 5.681 . 0 0 "[ . 1 . 2]" 1
765 1 30 LYS HD3 1 55 ASP HA 5.200 . 5.700 4.785 3.082 5.624 . 0 0 "[ . 1 . 2]" 1
766 2 30 LYS HD3 2 55 ASP HA 5.200 . 5.700 4.785 3.082 5.623 . 0 0 "[ . 1 . 2]" 1
767 1 30 LYS HD2 1 55 ASP HA 5.200 . 5.700 4.782 4.011 5.719 0.019 15 0 "[ . 1 . 2]" 1
768 2 30 LYS HD2 2 55 ASP HA 5.200 . 5.700 4.782 4.011 5.718 0.018 15 0 "[ . 1 . 2]" 1
769 1 30 LYS QE 1 55 ASP HA 4.500 . 5.000 2.643 2.146 3.739 . 0 0 "[ . 1 . 2]" 1
770 2 30 LYS QE 2 55 ASP HA 4.500 . 5.000 2.643 2.145 3.738 . 0 0 "[ . 1 . 2]" 1
771 1 30 LYS HE3 1 55 ASP HA 4.500 . 5.000 2.916 2.273 4.204 . 0 0 "[ . 1 . 2]" 1
772 2 30 LYS HE3 2 55 ASP HA 4.500 . 5.000 2.916 2.273 4.204 . 0 0 "[ . 1 . 2]" 1
773 1 30 LYS HE2 1 55 ASP HA 4.500 . 5.000 3.486 2.241 4.336 . 0 0 "[ . 1 . 2]" 1
774 2 30 LYS HE2 2 55 ASP HA 4.500 . 5.000 3.487 2.240 4.337 . 0 0 "[ . 1 . 2]" 1
775 1 30 LYS HA 1 58 MET ME 3.800 . 4.300 3.627 3.137 4.309 0.009 18 0 "[ . 1 . 2]" 1
776 2 30 LYS HA 2 58 MET ME 3.800 . 4.300 3.627 3.137 4.308 0.008 18 0 "[ . 1 . 2]" 1
777 1 30 LYS QB 1 58 MET ME 4.500 . 5.000 2.901 2.117 3.815 . 0 0 "[ . 1 . 2]" 1
778 2 30 LYS QB 2 58 MET ME 4.500 . 5.000 2.901 2.116 3.815 . 0 0 "[ . 1 . 2]" 1
779 1 30 LYS QE 1 58 MET ME 4.500 . 5.000 3.371 2.235 3.839 . 0 0 "[ . 1 . 2]" 1
780 2 30 LYS QE 2 58 MET ME 4.500 . 5.000 3.371 2.236 3.840 . 0 0 "[ . 1 . 2]" 1
781 1 30 LYS HE3 1 58 MET ME 4.500 . 5.000 3.786 2.252 4.619 . 0 0 "[ . 1 . 2]" 1
782 2 30 LYS HE3 2 58 MET ME 4.500 . 5.000 3.786 2.252 4.619 . 0 0 "[ . 1 . 2]" 1
783 1 30 LYS HE2 1 58 MET ME 4.500 . 5.000 4.088 2.947 4.870 . 0 0 "[ . 1 . 2]" 1
784 2 30 LYS HE2 2 58 MET ME 4.500 . 5.000 4.088 2.947 4.871 . 0 0 "[ . 1 . 2]" 1
785 1 30 LYS QG 1 58 MET ME 3.800 . 4.300 3.092 2.184 4.295 . 0 0 "[ . 1 . 2]" 1
786 2 30 LYS QG 2 58 MET ME 3.800 . 4.300 3.092 2.183 4.297 . 0 0 "[ . 1 . 2]" 1
787 1 30 LYS HG3 1 58 MET ME 4.500 . 5.000 3.382 2.200 4.983 . 0 0 "[ . 1 . 2]" 1
788 2 30 LYS HG3 2 58 MET ME 4.500 . 5.000 3.382 2.199 4.985 . 0 0 "[ . 1 . 2]" 1
789 1 30 LYS HG2 1 58 MET ME 4.500 . 5.000 4.196 3.539 4.847 . 0 0 "[ . 1 . 2]" 1
790 2 30 LYS HG2 2 58 MET ME 4.500 . 5.000 4.196 3.538 4.847 . 0 0 "[ . 1 . 2]" 1
791 1 30 LYS QE 1 58 MET H 5.200 . 5.700 4.529 4.021 5.204 . 0 0 "[ . 1 . 2]" 1
792 2 30 LYS QE 2 58 MET H 5.200 . 5.700 4.530 4.021 5.205 . 0 0 "[ . 1 . 2]" 1
793 1 30 LYS QG 1 69 VAL QG 5.200 . 5.700 4.129 3.170 5.558 . 0 0 "[ . 1 . 2]" 1
794 2 30 LYS QG 2 69 VAL QG 5.200 . 5.700 4.129 3.171 5.559 . 0 0 "[ . 1 . 2]" 1
795 1 31 LYS H 1 31 LYS HB3 3.800 . 4.300 2.627 2.587 2.662 . 0 0 "[ . 1 . 2]" 1
796 2 31 LYS H 2 31 LYS HB3 3.800 . 4.300 2.626 2.585 2.659 . 0 0 "[ . 1 . 2]" 1
797 1 31 LYS H 1 31 LYS HB2 3.800 . 4.300 2.491 2.462 2.525 . 0 0 "[ . 1 . 2]" 1
798 2 31 LYS H 2 31 LYS HB2 3.800 . 4.300 2.490 2.463 2.525 . 0 0 "[ . 1 . 2]" 1
799 1 31 LYS HA 1 31 LYS QD 3.800 . 4.300 3.256 2.167 3.983 . 0 0 "[ . 1 . 2]" 1
800 2 31 LYS HA 2 31 LYS QD 3.800 . 4.300 3.256 2.168 3.984 . 0 0 "[ . 1 . 2]" 1
801 1 31 LYS HA 1 31 LYS QE 4.500 . 5.000 4.308 3.971 4.511 . 0 0 "[ . 1 . 2]" 1
802 2 31 LYS HA 2 31 LYS QE 4.500 . 5.000 4.308 3.972 4.511 . 0 0 "[ . 1 . 2]" 1
803 1 31 LYS HA 1 31 LYS HE3 5.200 . 5.700 4.757 4.319 5.107 . 0 0 "[ . 1 . 2]" 1
804 2 31 LYS HA 2 31 LYS HE3 5.200 . 5.700 4.756 4.318 5.107 . 0 0 "[ . 1 . 2]" 1
805 1 31 LYS HA 1 31 LYS HE2 5.200 . 5.700 4.975 4.315 5.467 . 0 0 "[ . 1 . 2]" 1
806 2 31 LYS HA 2 31 LYS HE2 5.200 . 5.700 4.974 4.313 5.467 . 0 0 "[ . 1 . 2]" 1
807 1 31 LYS QB 1 32 GLU H 4.500 . 5.000 2.532 2.498 2.574 . 0 0 "[ . 1 . 2]" 1
808 2 31 LYS QB 2 32 GLU H 4.500 . 5.000 2.532 2.498 2.572 . 0 0 "[ . 1 . 2]" 1
809 1 31 LYS HB3 1 32 GLU H 4.500 . 5.000 2.570 2.534 2.614 . 0 0 "[ . 1 . 2]" 1
810 2 31 LYS HB3 2 32 GLU H 4.500 . 5.000 2.570 2.535 2.613 . 0 0 "[ . 1 . 2]" 1
811 1 31 LYS HB2 1 32 GLU H 4.500 . 5.000 3.821 3.779 3.852 . 0 0 "[ . 1 . 2]" 1
812 2 31 LYS HB2 2 32 GLU H 4.500 . 5.000 3.821 3.780 3.850 . 0 0 "[ . 1 . 2]" 1
813 1 31 LYS H 1 32 GLU H 4.500 . 5.000 2.680 2.618 2.728 . 0 0 "[ . 1 . 2]" 1
814 2 31 LYS H 2 32 GLU H 4.500 . 5.000 2.680 2.617 2.727 . 0 0 "[ . 1 . 2]" 1
815 1 32 GLU H 1 33 LEU H 4.500 . 5.000 2.546 2.492 2.630 . 0 0 "[ . 1 . 2]" 1
816 2 32 GLU H 2 33 LEU H 4.500 . 5.000 2.545 2.491 2.629 . 0 0 "[ . 1 . 2]" 1
817 1 33 LEU HA 1 33 LEU QD 3.800 . 4.300 2.236 2.121 2.992 . 0 0 "[ . 1 . 2]" 1
818 2 33 LEU HA 2 33 LEU QD 3.800 . 4.300 2.236 2.120 2.993 . 0 0 "[ . 1 . 2]" 1
819 1 33 LEU HA 1 33 LEU MD1 4.500 . 5.000 2.302 2.132 3.561 . 0 0 "[ . 1 . 2]" 1
820 2 33 LEU HA 2 33 LEU MD1 4.500 . 5.000 2.302 2.131 3.561 . 0 0 "[ . 1 . 2]" 1
821 1 33 LEU H 1 33 LEU MD1 4.500 . 5.000 4.023 3.938 4.184 . 0 0 "[ . 1 . 2]" 1
822 2 33 LEU H 2 33 LEU MD1 4.500 . 5.000 4.023 3.937 4.184 . 0 0 "[ . 1 . 2]" 1
823 1 33 LEU HA 1 33 LEU MD2 4.500 . 5.000 3.784 3.171 3.880 . 0 0 "[ . 1 . 2]" 1
824 2 33 LEU HA 2 33 LEU MD2 4.500 . 5.000 3.784 3.171 3.881 . 0 0 "[ . 1 . 2]" 1
825 1 33 LEU H 1 33 LEU MD2 4.500 . 5.000 4.259 4.184 4.290 . 0 0 "[ . 1 . 2]" 1
826 2 33 LEU H 2 33 LEU MD2 4.500 . 5.000 4.259 4.183 4.289 . 0 0 "[ . 1 . 2]" 1
827 1 33 LEU HA 1 34 LYS HA 5.200 . 5.700 4.778 4.743 4.812 . 0 0 "[ . 1 . 2]" 1
828 2 33 LEU HA 2 34 LYS HA 5.200 . 5.700 4.778 4.744 4.813 . 0 0 "[ . 1 . 2]" 1
829 1 33 LEU QD 1 34 LYS HA 4.500 . 5.000 3.974 2.602 4.196 . 0 0 "[ . 1 . 2]" 1
830 2 33 LEU QD 2 34 LYS HA 4.500 . 5.000 3.974 2.601 4.196 . 0 0 "[ . 1 . 2]" 1
831 1 33 LEU QB 1 34 LYS H 4.500 . 5.000 2.481 2.346 2.558 . 0 0 "[ . 1 . 2]" 1
832 2 33 LEU QB 2 34 LYS H 4.500 . 5.000 2.481 2.347 2.557 . 0 0 "[ . 1 . 2]" 1
833 1 33 LEU QD 1 34 LYS H 4.500 . 5.000 3.742 2.950 3.872 . 0 0 "[ . 1 . 2]" 1
834 2 33 LEU QD 2 34 LYS H 4.500 . 5.000 3.742 2.950 3.872 . 0 0 "[ . 1 . 2]" 1
835 1 33 LEU H 1 34 LYS H 4.500 . 5.000 2.830 2.667 2.917 . 0 0 "[ . 1 . 2]" 1
836 2 33 LEU H 2 34 LYS H 4.500 . 5.000 2.830 2.667 2.916 . 0 0 "[ . 1 . 2]" 1
837 1 33 LEU HA 1 36 LEU QD 4.500 . 5.000 3.361 2.856 3.660 . 0 0 "[ . 1 . 2]" 1
838 2 33 LEU HA 2 36 LEU QD 4.500 . 5.000 3.361 2.855 3.661 . 0 0 "[ . 1 . 2]" 1
839 1 33 LEU HA 1 36 LEU H 4.500 . 5.000 3.421 3.300 3.570 . 0 0 "[ . 1 . 2]" 1
840 2 33 LEU HA 2 36 LEU H 4.500 . 5.000 3.421 3.302 3.570 . 0 0 "[ . 1 . 2]" 1
841 1 33 LEU QD 1 37 LEU H 4.500 . 5.000 3.818 3.315 4.221 . 0 0 "[ . 1 . 2]" 1
842 2 33 LEU QD 2 37 LEU H 4.500 . 5.000 3.818 3.315 4.221 . 0 0 "[ . 1 . 2]" 1
843 1 33 LEU HG 1 37 LEU H 5.200 . 5.700 4.041 3.752 4.236 . 0 0 "[ . 1 . 2]" 1
844 2 33 LEU HG 2 37 LEU H 5.200 . 5.700 4.041 3.752 4.234 . 0 0 "[ . 1 . 2]" 1
845 1 34 LYS HA 1 34 LYS QD 4.500 . 5.000 3.885 2.157 4.122 . 0 0 "[ . 1 . 2]" 1
846 2 34 LYS HA 2 34 LYS QD 4.500 . 5.000 3.885 2.157 4.122 . 0 0 "[ . 1 . 2]" 1
847 1 34 LYS HA 1 34 LYS HD3 4.500 . 5.000 4.295 2.173 4.745 . 0 0 "[ . 1 . 2]" 1
848 2 34 LYS HA 2 34 LYS HD3 4.500 . 5.000 4.295 2.172 4.746 . 0 0 "[ . 1 . 2]" 1
849 1 34 LYS H 1 34 LYS HD3 5.200 . 5.700 5.011 4.434 5.771 0.071 3 0 "[ . 1 . 2]" 1
850 2 34 LYS H 2 34 LYS HD3 5.200 . 5.700 5.012 4.435 5.772 0.072 3 0 "[ . 1 . 2]" 1
851 1 34 LYS HA 1 34 LYS HD2 4.500 . 5.000 4.530 3.649 4.673 . 0 0 "[ . 1 . 2]" 1
852 2 34 LYS HA 2 34 LYS HD2 4.500 . 5.000 4.530 3.647 4.673 . 0 0 "[ . 1 . 2]" 1
853 1 34 LYS H 1 34 LYS HD2 5.200 . 5.700 4.972 4.061 5.761 0.061 17 0 "[ . 1 . 2]" 1
854 2 34 LYS H 2 34 LYS HD2 5.200 . 5.700 4.972 4.061 5.761 0.061 18 0 "[ . 1 . 2]" 1
855 1 34 LYS HA 1 34 LYS HE3 5.200 . 5.700 4.856 3.539 5.548 . 0 0 "[ . 1 . 2]" 1
856 2 34 LYS HA 2 34 LYS HE3 5.200 . 5.700 4.856 3.538 5.547 . 0 0 "[ . 1 . 2]" 1
857 1 34 LYS H 1 34 LYS HE3 5.200 . 5.700 4.695 4.300 5.094 . 0 0 "[ . 1 . 2]" 1
858 2 34 LYS H 2 34 LYS HE3 5.200 . 5.700 4.695 4.298 5.095 . 0 0 "[ . 1 . 2]" 1
859 1 34 LYS HA 1 34 LYS HE2 5.200 . 5.700 4.630 2.222 5.097 . 0 0 "[ . 1 . 2]" 1
860 2 34 LYS HA 2 34 LYS HE2 5.200 . 5.700 4.630 2.222 5.098 . 0 0 "[ . 1 . 2]" 1
861 1 34 LYS H 1 34 LYS HE2 5.200 . 5.700 4.724 3.573 5.303 . 0 0 "[ . 1 . 2]" 1
862 2 34 LYS H 2 34 LYS HE2 5.200 . 5.700 4.724 3.574 5.305 . 0 0 "[ . 1 . 2]" 1
863 1 34 LYS HA 1 34 LYS QG 3.800 . 4.300 2.379 2.316 2.956 . 0 0 "[ . 1 . 2]" 1
864 2 34 LYS HA 2 34 LYS QG 3.800 . 4.300 2.379 2.318 2.955 . 0 0 "[ . 1 . 2]" 1
865 1 34 LYS H 1 34 LYS QG 4.500 . 5.000 3.358 1.994 4.002 . 0 0 "[ . 1 . 2]" 1
866 2 34 LYS H 2 34 LYS QG 4.500 . 5.000 3.358 1.996 4.001 . 0 0 "[ . 1 . 2]" 1
867 1 34 LYS HA 1 35 GLU HA 5.200 . 5.700 4.762 4.746 4.773 . 0 0 "[ . 1 . 2]" 1
868 2 34 LYS HA 2 35 GLU HA 5.200 . 5.700 4.762 4.745 4.773 . 0 0 "[ . 1 . 2]" 1
869 1 34 LYS H 1 35 GLU QB 4.500 . 5.000 4.556 4.406 4.740 . 0 0 "[ . 1 . 2]" 1
870 2 34 LYS H 2 35 GLU QB 4.500 . 5.000 4.556 4.407 4.740 . 0 0 "[ . 1 . 2]" 1
871 1 34 LYS QB 1 35 GLU H 4.500 . 5.000 2.399 2.180 2.516 . 0 0 "[ . 1 . 2]" 1
872 2 34 LYS QB 2 35 GLU H 4.500 . 5.000 2.400 2.181 2.515 . 0 0 "[ . 1 . 2]" 1
873 1 34 LYS QD 1 35 GLU H 4.500 . 5.000 4.609 4.172 4.916 . 0 0 "[ . 1 . 2]" 1
874 2 34 LYS QD 2 35 GLU H 4.500 . 5.000 4.610 4.172 4.916 . 0 0 "[ . 1 . 2]" 1
875 1 34 LYS HD3 1 35 GLU H 5.200 . 5.700 5.457 4.768 5.765 0.065 5 0 "[ . 1 . 2]" 1
876 2 34 LYS HD3 2 35 GLU H 5.200 . 5.700 5.457 4.769 5.765 0.065 5 0 "[ . 1 . 2]" 1
877 1 34 LYS HD2 1 35 GLU H 5.200 . 5.700 5.104 4.317 5.726 0.026 15 0 "[ . 1 . 2]" 1
878 2 34 LYS HD2 2 35 GLU H 5.200 . 5.700 5.104 4.317 5.726 0.026 15 0 "[ . 1 . 2]" 1
879 1 34 LYS QG 1 35 GLU H 4.500 . 5.000 3.686 3.375 4.029 . 0 0 "[ . 1 . 2]" 1
880 2 34 LYS QG 2 35 GLU H 4.500 . 5.000 3.686 3.375 4.028 . 0 0 "[ . 1 . 2]" 1
881 1 34 LYS H 1 35 GLU H 3.800 . 4.300 2.734 2.668 2.819 . 0 0 "[ . 1 . 2]" 1
882 2 34 LYS H 2 35 GLU H 3.800 . 4.300 2.735 2.669 2.819 . 0 0 "[ . 1 . 2]" 1
883 1 34 LYS QB 1 51 VAL QG 4.500 . 5.000 4.434 3.409 5.015 0.015 13 0 "[ . 1 . 2]" 1
884 2 34 LYS QB 2 51 VAL QG 4.500 . 5.000 4.434 3.408 5.014 0.014 13 0 "[ . 1 . 2]" 1
885 1 34 LYS QD 1 51 VAL QG 4.500 . 5.000 3.092 1.988 4.687 . 0 0 "[ . 1 . 2]" 1
886 2 34 LYS QD 2 51 VAL QG 4.500 . 5.000 3.092 1.989 4.687 . 0 0 "[ . 1 . 2]" 1
887 1 34 LYS HA 1 54 VAL QG 3.800 . 4.300 3.271 2.380 4.011 . 0 0 "[ . 1 . 2]" 1
888 2 34 LYS HA 2 54 VAL QG 3.800 . 4.300 3.271 2.381 4.012 . 0 0 "[ . 1 . 2]" 1
889 1 34 LYS QB 1 54 VAL QG 3.800 . 4.300 3.434 2.600 3.910 . 0 0 "[ . 1 . 2]" 1
890 2 34 LYS QB 2 54 VAL QG 3.800 . 4.300 3.434 2.601 3.910 . 0 0 "[ . 1 . 2]" 1
891 1 34 LYS QD 1 54 VAL QG 4.500 . 5.000 3.228 2.297 4.161 . 0 0 "[ . 1 . 2]" 1
892 2 34 LYS QD 2 54 VAL QG 4.500 . 5.000 3.228 2.297 4.162 . 0 0 "[ . 1 . 2]" 1
893 1 34 LYS QE 1 54 VAL QG 3.800 . 4.300 3.198 2.011 4.326 0.026 17 0 "[ . 1 . 2]" 1
894 2 34 LYS QE 2 54 VAL QG 3.800 . 4.300 3.198 2.011 4.326 0.026 17 0 "[ . 1 . 2]" 1
895 1 34 LYS QG 1 54 VAL QG 4.500 . 5.000 2.635 2.160 3.960 . 0 0 "[ . 1 . 2]" 1
896 2 34 LYS QG 2 54 VAL QG 4.500 . 5.000 2.635 2.161 3.960 . 0 0 "[ . 1 . 2]" 1
897 1 34 LYS H 1 54 VAL QG 4.500 . 5.000 4.598 3.837 4.963 . 0 0 "[ . 1 . 2]" 1
898 2 34 LYS H 2 54 VAL QG 4.500 . 5.000 4.598 3.837 4.962 . 0 0 "[ . 1 . 2]" 1
899 1 34 LYS HB3 1 54 VAL MG1 5.200 . 5.700 4.782 3.952 5.606 . 0 0 "[ . 1 . 2]" 1
900 2 34 LYS HB3 2 54 VAL MG1 5.200 . 5.700 4.782 3.953 5.606 . 0 0 "[ . 1 . 2]" 1
901 1 34 LYS HB2 1 54 VAL MG1 5.200 . 5.700 4.185 2.994 5.443 . 0 0 "[ . 1 . 2]" 1
902 2 34 LYS HB2 2 54 VAL MG1 5.200 . 5.700 4.185 2.991 5.443 . 0 0 "[ . 1 . 2]" 1
903 1 34 LYS HB3 1 54 VAL MG2 5.200 . 5.700 5.098 4.100 5.705 0.005 18 0 "[ . 1 . 2]" 1
904 2 34 LYS HB3 2 54 VAL MG2 5.200 . 5.700 5.097 4.101 5.706 0.006 18 0 "[ . 1 . 2]" 1
905 1 34 LYS HB2 1 54 VAL MG2 5.200 . 5.700 4.495 2.767 5.709 0.009 2 0 "[ . 1 . 2]" 1
906 2 34 LYS HB2 2 54 VAL MG2 5.200 . 5.700 4.495 2.768 5.710 0.010 2 0 "[ . 1 . 2]" 1
907 1 35 GLU H 1 35 GLU QG 4.500 . 5.000 3.439 2.184 4.045 . 0 0 "[ . 1 . 2]" 1
908 2 35 GLU H 2 35 GLU QG 4.500 . 5.000 3.439 2.184 4.045 . 0 0 "[ . 1 . 2]" 1
909 1 35 GLU QB 1 36 LEU QD 5.200 . 5.700 4.721 4.535 4.953 . 0 0 "[ . 1 . 2]" 1
910 2 35 GLU QB 2 36 LEU QD 5.200 . 5.700 4.721 4.536 4.953 . 0 0 "[ . 1 . 2]" 1
911 1 35 GLU QB 1 36 LEU H 3.800 . 4.300 2.601 2.540 2.692 . 0 0 "[ . 1 . 2]" 1
912 2 35 GLU QB 2 36 LEU H 3.800 . 4.300 2.601 2.540 2.691 . 0 0 "[ . 1 . 2]" 1
913 1 35 GLU H 1 36 LEU H 4.500 . 5.000 2.666 2.610 2.757 . 0 0 "[ . 1 . 2]" 1
914 2 35 GLU H 2 36 LEU H 4.500 . 5.000 2.666 2.609 2.756 . 0 0 "[ . 1 . 2]" 1
915 1 36 LEU H 1 36 LEU HB3 3.800 . 4.300 2.534 2.234 2.663 . 0 0 "[ . 1 . 2]" 1
916 2 36 LEU H 2 36 LEU HB3 3.800 . 4.300 2.534 2.234 2.663 . 0 0 "[ . 1 . 2]" 1
917 1 36 LEU H 1 36 LEU HB2 3.800 . 4.300 2.495 2.344 2.699 . 0 0 "[ . 1 . 2]" 1
918 2 36 LEU H 2 36 LEU HB2 3.800 . 4.300 2.495 2.344 2.699 . 0 0 "[ . 1 . 2]" 1
919 1 36 LEU HA 1 36 LEU QD 3.800 . 4.300 2.353 2.096 3.010 . 0 0 "[ . 1 . 2]" 1
920 2 36 LEU HA 2 36 LEU QD 3.800 . 4.300 2.353 2.096 3.010 . 0 0 "[ . 1 . 2]" 1
921 1 36 LEU H 1 36 LEU QD 3.800 . 4.300 3.689 3.623 3.762 . 0 0 "[ . 1 . 2]" 1
922 2 36 LEU H 2 36 LEU QD 3.800 . 4.300 3.689 3.622 3.761 . 0 0 "[ . 1 . 2]" 1
923 1 36 LEU HA 1 36 LEU MD1 4.500 . 5.000 2.492 2.106 3.531 . 0 0 "[ . 1 . 2]" 1
924 2 36 LEU HA 2 36 LEU MD1 4.500 . 5.000 2.492 2.106 3.530 . 0 0 "[ . 1 . 2]" 1
925 1 36 LEU H 1 36 LEU MD1 4.500 . 5.000 4.056 3.924 4.210 . 0 0 "[ . 1 . 2]" 1
926 2 36 LEU H 2 36 LEU MD1 4.500 . 5.000 4.055 3.923 4.211 . 0 0 "[ . 1 . 2]" 1
927 1 36 LEU HA 1 36 LEU MD2 4.500 . 5.000 3.680 3.189 3.847 . 0 0 "[ . 1 . 2]" 1
928 2 36 LEU HA 2 36 LEU MD2 4.500 . 5.000 3.680 3.189 3.847 . 0 0 "[ . 1 . 2]" 1
929 1 36 LEU H 1 36 LEU MD2 4.500 . 5.000 4.245 4.179 4.281 . 0 0 "[ . 1 . 2]" 1
930 2 36 LEU H 2 36 LEU MD2 4.500 . 5.000 4.246 4.179 4.282 . 0 0 "[ . 1 . 2]" 1
931 1 36 LEU QD 1 37 LEU HA 3.800 . 4.300 3.766 2.773 4.200 . 0 0 "[ . 1 . 2]" 1
932 2 36 LEU QD 2 37 LEU HA 3.800 . 4.300 3.766 2.773 4.199 . 0 0 "[ . 1 . 2]" 1
933 1 36 LEU QD 1 37 LEU QB 4.500 . 5.000 4.525 3.710 4.881 . 0 0 "[ . 1 . 2]" 1
934 2 36 LEU QD 2 37 LEU QB 4.500 . 5.000 4.525 3.711 4.882 . 0 0 "[ . 1 . 2]" 1
935 1 36 LEU QB 1 37 LEU H 4.500 . 5.000 2.430 2.221 2.531 . 0 0 "[ . 1 . 2]" 1
936 2 36 LEU QB 2 37 LEU H 4.500 . 5.000 2.431 2.221 2.531 . 0 0 "[ . 1 . 2]" 1
937 1 36 LEU QD 1 37 LEU H 3.800 . 4.300 3.613 3.163 3.877 . 0 0 "[ . 1 . 2]" 1
938 2 36 LEU QD 2 37 LEU H 3.800 . 4.300 3.613 3.163 3.876 . 0 0 "[ . 1 . 2]" 1
939 1 36 LEU H 1 37 LEU H 4.500 . 5.000 2.770 2.679 2.871 . 0 0 "[ . 1 . 2]" 1
940 2 36 LEU H 2 37 LEU H 4.500 . 5.000 2.770 2.680 2.869 . 0 0 "[ . 1 . 2]" 1
941 1 36 LEU QD 1 74 TYR HE1 3.800 . 4.300 2.284 2.084 2.724 . 0 0 "[ . 1 . 2]" 1
942 2 36 LEU QD 2 74 TYR HE1 3.800 . 4.300 2.283 2.084 2.723 . 0 0 "[ . 1 . 2]" 1
943 1 36 LEU MD1 1 74 TYR HE1 4.500 . 5.000 4.426 2.766 5.010 0.010 1 0 "[ . 1 . 2]" 1
944 2 36 LEU MD1 2 74 TYR HE1 4.500 . 5.000 4.426 2.766 5.010 0.010 3 0 "[ . 1 . 2]" 1
945 1 36 LEU MD2 1 74 TYR HE1 4.500 . 5.000 2.308 2.087 2.736 . 0 0 "[ . 1 . 2]" 1
946 2 36 LEU MD2 2 74 TYR HE1 4.500 . 5.000 2.308 2.087 2.735 . 0 0 "[ . 1 . 2]" 1
947 1 37 LEU HA 1 37 LEU MD1 3.800 . 4.300 2.471 2.046 3.755 . 0 0 "[ . 1 . 2]" 1
948 2 37 LEU HA 2 37 LEU MD1 4.500 . 5.000 2.471 2.047 3.755 . 0 0 "[ . 1 . 2]" 1
949 1 37 LEU H 1 37 LEU MD1 4.500 . 5.000 3.939 3.672 4.051 . 0 0 "[ . 1 . 2]" 1
950 2 37 LEU H 2 37 LEU MD1 4.500 . 5.000 3.939 3.672 4.051 . 0 0 "[ . 1 . 2]" 1
951 1 37 LEU HA 1 37 LEU MD2 4.500 . 5.000 2.277 2.006 3.749 . 0 0 "[ . 1 . 2]" 1
952 2 37 LEU HA 2 37 LEU MD2 4.500 . 5.000 2.277 2.006 3.749 . 0 0 "[ . 1 . 2]" 1
953 1 37 LEU H 1 37 LEU MD2 4.500 . 5.000 2.288 1.818 4.162 . 0 0 "[ . 1 . 2]" 1
954 2 37 LEU H 2 37 LEU MD2 4.500 . 5.000 2.288 1.818 4.161 . 0 0 "[ . 1 . 2]" 1
955 1 37 LEU QB 1 38 GLN H 3.800 . 4.300 2.648 2.530 2.770 . 0 0 "[ . 1 . 2]" 1
956 2 37 LEU QB 2 38 GLN H 3.800 . 4.300 2.648 2.530 2.770 . 0 0 "[ . 1 . 2]" 1
957 1 37 LEU HB3 1 38 GLN H 4.500 . 5.000 3.448 2.644 3.826 . 0 0 "[ . 1 . 2]" 1
958 2 37 LEU HB3 2 38 GLN H 4.500 . 5.000 3.448 2.645 3.826 . 0 0 "[ . 1 . 2]" 1
959 1 37 LEU HB2 1 38 GLN H 4.500 . 5.000 2.857 2.606 3.920 . 0 0 "[ . 1 . 2]" 1
960 2 37 LEU HB2 2 38 GLN H 4.500 . 5.000 2.857 2.607 3.921 . 0 0 "[ . 1 . 2]" 1
961 1 37 LEU HA 1 41 LEU HB3 5.200 . 5.700 4.533 3.475 5.706 0.006 7 0 "[ . 1 . 2]" 1
962 2 37 LEU HA 2 41 LEU HB3 5.200 . 5.700 4.533 3.477 5.705 0.005 7 0 "[ . 1 . 2]" 1
963 1 37 LEU HA 1 41 LEU HB2 4.500 . 5.000 3.695 2.279 4.439 . 0 0 "[ . 1 . 2]" 1
964 2 37 LEU HA 2 41 LEU HB2 4.500 . 5.000 3.696 2.279 4.437 . 0 0 "[ . 1 . 2]" 1
965 1 37 LEU HA 1 41 LEU QD 4.500 . 5.000 3.889 2.419 4.579 . 0 0 "[ . 1 . 2]" 1
966 2 37 LEU HA 2 41 LEU QD 4.500 . 5.000 3.888 2.418 4.579 . 0 0 "[ . 1 . 2]" 1
967 1 38 GLN HA 1 38 GLN QG 3.800 . 4.300 2.418 2.292 2.856 . 0 0 "[ . 1 . 2]" 1
968 2 38 GLN HA 2 38 GLN QG 3.800 . 4.300 2.418 2.292 2.857 . 0 0 "[ . 1 . 2]" 1
969 1 38 GLN H 1 38 GLN QG 4.500 . 5.000 3.216 2.183 4.039 . 0 0 "[ . 1 . 2]" 1
970 2 38 GLN H 2 38 GLN QG 4.500 . 5.000 3.216 2.183 4.039 . 0 0 "[ . 1 . 2]" 1
971 1 38 GLN QB 1 39 THR HB 5.200 . 5.700 4.679 4.552 4.808 . 0 0 "[ . 1 . 2]" 1
972 2 38 GLN QB 2 39 THR HB 5.200 . 5.700 4.679 4.554 4.808 . 0 0 "[ . 1 . 2]" 1
973 1 38 GLN HB3 1 39 THR H 4.500 . 5.000 2.979 2.436 3.642 . 0 0 "[ . 1 . 2]" 1
974 2 38 GLN HB3 2 39 THR H 4.500 . 5.000 2.979 2.436 3.642 . 0 0 "[ . 1 . 2]" 1
975 1 38 GLN HB2 1 39 THR H 4.500 . 5.000 3.258 2.592 3.798 . 0 0 "[ . 1 . 2]" 1
976 2 38 GLN HB2 2 39 THR H 4.500 . 5.000 3.258 2.592 3.798 . 0 0 "[ . 1 . 2]" 1
977 1 38 GLN H 1 39 THR H 4.500 . 5.000 2.730 2.669 2.797 . 0 0 "[ . 1 . 2]" 1
978 2 38 GLN H 2 39 THR H 4.500 . 5.000 2.730 2.668 2.797 . 0 0 "[ . 1 . 2]" 1
979 1 38 GLN QB 1 40 GLU H 5.200 . 5.700 4.782 4.708 4.870 . 0 0 "[ . 1 . 2]" 1
980 2 38 GLN QB 2 40 GLU H 5.200 . 5.700 4.782 4.708 4.871 . 0 0 "[ . 1 . 2]" 1
981 1 38 GLN QB 1 47 ALA MB 4.500 . 5.000 4.065 3.019 5.008 0.008 10 0 "[ . 1 . 2]" 1
982 2 38 GLN QB 2 47 ALA MB 4.500 . 5.000 4.065 3.018 5.008 0.008 10 0 "[ . 1 . 2]" 1
983 1 38 GLN QG 1 47 ALA MB 4.500 . 5.000 3.163 1.968 4.165 . 0 0 "[ . 1 . 2]" 1
984 2 38 GLN QG 2 47 ALA MB 4.500 . 5.000 3.163 1.968 4.166 . 0 0 "[ . 1 . 2]" 1
985 1 39 THR H 1 39 THR MG 4.500 . 5.000 3.751 3.747 3.765 . 0 0 "[ . 1 . 2]" 1
986 2 39 THR H 2 39 THR MG 4.500 . 5.000 3.751 3.747 3.765 . 0 0 "[ . 1 . 2]" 1
987 1 39 THR HA 1 40 GLU HA 4.500 . 5.000 4.712 4.660 4.745 . 0 0 "[ . 1 . 2]" 1
988 2 39 THR HA 2 40 GLU HA 4.500 . 5.000 4.712 4.660 4.745 . 0 0 "[ . 1 . 2]" 1
989 1 39 THR MG 1 40 GLU HA 4.500 . 5.000 3.499 3.428 3.547 . 0 0 "[ . 1 . 2]" 1
990 2 39 THR MG 2 40 GLU HA 4.500 . 5.000 3.499 3.428 3.548 . 0 0 "[ . 1 . 2]" 1
991 1 39 THR HA 1 40 GLU QG 5.200 . 5.700 5.079 4.954 5.576 . 0 0 "[ . 1 . 2]" 1
992 2 39 THR HA 2 40 GLU QG 5.200 . 5.700 5.079 4.954 5.576 . 0 0 "[ . 1 . 2]" 1
993 1 39 THR HB 1 40 GLU QG 5.200 . 5.700 3.023 2.888 4.004 . 0 0 "[ . 1 . 2]" 1
994 2 39 THR HB 2 40 GLU QG 5.200 . 5.700 3.023 2.887 4.003 . 0 0 "[ . 1 . 2]" 1
995 1 39 THR MG 1 40 GLU QG 4.500 . 5.000 3.482 3.332 3.595 . 0 0 "[ . 1 . 2]" 1
996 2 39 THR MG 2 40 GLU QG 4.500 . 5.000 3.482 3.332 3.595 . 0 0 "[ . 1 . 2]" 1
997 1 39 THR HB 1 40 GLU H 4.500 . 5.000 2.521 2.307 2.576 . 0 0 "[ . 1 . 2]" 1
998 2 39 THR HB 2 40 GLU H 4.500 . 5.000 2.520 2.307 2.574 . 0 0 "[ . 1 . 2]" 1
999 1 39 THR MG 1 40 GLU H 4.500 . 5.000 3.463 3.263 3.512 . 0 0 "[ . 1 . 2]" 1
1000 2 39 THR MG 2 40 GLU H 4.500 . 5.000 3.463 3.264 3.511 . 0 0 "[ . 1 . 2]" 1
1001 1 39 THR H 1 40 GLU H 3.800 . 4.300 2.649 2.598 2.704 . 0 0 "[ . 1 . 2]" 1
1002 2 39 THR H 2 40 GLU H 3.800 . 4.300 2.648 2.598 2.703 . 0 0 "[ . 1 . 2]" 1
1003 1 39 THR MG 1 41 LEU H 5.200 . 5.700 5.103 5.026 5.177 . 0 0 "[ . 1 . 2]" 1
1004 2 39 THR MG 2 41 LEU H 5.200 . 5.700 5.103 5.026 5.178 . 0 0 "[ . 1 . 2]" 1
1005 1 39 THR H 1 41 LEU H 4.500 . 5.000 4.096 3.952 4.240 . 0 0 "[ . 1 . 2]" 1
1006 2 39 THR H 2 41 LEU H 4.500 . 5.000 4.096 3.951 4.241 . 0 0 "[ . 1 . 2]" 1
1007 1 40 GLU H 1 40 GLU QG 4.500 . 5.000 2.328 2.243 3.306 . 0 0 "[ . 1 . 2]" 1
1008 2 40 GLU H 2 40 GLU QG 4.500 . 5.000 2.328 2.243 3.307 . 0 0 "[ . 1 . 2]" 1
1009 1 40 GLU H 1 41 LEU H 3.800 . 4.300 2.618 2.549 2.721 . 0 0 "[ . 1 . 2]" 1
1010 2 40 GLU H 2 41 LEU H 3.800 . 4.300 2.618 2.550 2.719 . 0 0 "[ . 1 . 2]" 1
1011 1 41 LEU HA 1 41 LEU QD 3.800 . 4.300 2.138 1.961 2.937 . 0 0 "[ . 1 . 2]" 1
1012 2 41 LEU HA 2 41 LEU QD 3.800 . 4.300 2.138 1.961 2.938 . 0 0 "[ . 1 . 2]" 1
1013 1 41 LEU H 1 41 LEU QD 4.500 . 5.000 3.471 2.000 3.839 . 0 0 "[ . 1 . 2]" 1
1014 2 41 LEU H 2 41 LEU QD 4.500 . 5.000 3.471 1.999 3.840 . 0 0 "[ . 1 . 2]" 1
1015 1 41 LEU HA 1 41 LEU MD1 4.500 . 5.000 2.573 2.157 3.735 . 0 0 "[ . 1 . 2]" 1
1016 2 41 LEU HA 2 41 LEU MD1 4.500 . 5.000 2.573 2.157 3.735 . 0 0 "[ . 1 . 2]" 1
1017 1 41 LEU HA 1 41 LEU MD2 4.500 . 5.000 3.174 1.986 3.832 . 0 0 "[ . 1 . 2]" 1
1018 2 41 LEU HA 2 41 LEU MD2 4.500 . 5.000 3.174 1.985 3.833 . 0 0 "[ . 1 . 2]" 1
1019 1 41 LEU H 1 41 LEU HG 4.500 . 5.000 3.996 2.470 4.634 . 0 0 "[ . 1 . 2]" 1
1020 2 41 LEU H 2 41 LEU HG 4.500 . 5.000 3.996 2.470 4.635 . 0 0 "[ . 1 . 2]" 1
1021 1 41 LEU QD 1 42 SER HA 4.500 . 5.000 4.699 3.781 5.081 0.081 9 0 "[ . 1 . 2]" 1
1022 2 41 LEU QD 2 42 SER HA 4.500 . 5.000 4.699 3.780 5.081 0.081 9 0 "[ . 1 . 2]" 1
1023 1 41 LEU HA 1 42 SER H 3.800 . 4.300 2.164 2.116 2.219 . 0 0 "[ . 1 . 2]" 1
1024 2 41 LEU HA 2 42 SER H 3.800 . 4.300 2.164 2.116 2.219 . 0 0 "[ . 1 . 2]" 1
1025 1 41 LEU HB2 1 42 SER H 4.500 . 5.000 4.125 3.772 4.464 . 0 0 "[ . 1 . 2]" 1
1026 2 41 LEU HB2 2 42 SER H 4.500 . 5.000 4.125 3.773 4.463 . 0 0 "[ . 1 . 2]" 1
1027 1 41 LEU QD 1 42 SER H 4.500 . 5.000 2.694 2.009 3.086 . 0 0 "[ . 1 . 2]" 1
1028 2 41 LEU QD 2 42 SER H 4.500 . 5.000 2.694 2.009 3.087 . 0 0 "[ . 1 . 2]" 1
1029 1 41 LEU H 1 42 SER H 4.500 . 5.000 4.537 4.466 4.566 . 0 0 "[ . 1 . 2]" 1
1030 2 41 LEU H 2 42 SER H 4.500 . 5.000 4.538 4.467 4.566 . 0 0 "[ . 1 . 2]" 1
1031 1 41 LEU QD 1 81 LEU QB 4.500 . 5.000 2.589 2.103 3.962 . 0 0 "[ . 1 . 2]" 1
1032 2 41 LEU QD 2 81 LEU QB 4.500 . 5.000 2.589 2.104 3.962 . 0 0 "[ . 1 . 2]" 1
1033 1 41 LEU QD 1 81 LEU QD 4.500 . 5.000 2.169 1.793 3.200 0.007 7 0 "[ . 1 . 2]" 1
1034 2 41 LEU QD 2 81 LEU QD 4.500 . 5.000 2.169 1.793 3.200 0.007 7 0 "[ . 1 . 2]" 1
1035 1 43 GLY H 1 44 PHE H 4.500 . 5.000 2.822 2.722 2.875 . 0 0 "[ . 1 . 2]" 1
1036 2 43 GLY H 2 44 PHE H 4.500 . 5.000 2.822 2.723 2.874 . 0 0 "[ . 1 . 2]" 1
1037 1 43 GLY QA 1 46 ASP QB 3.800 . 4.300 2.925 2.171 4.209 . 0 0 "[ . 1 . 2]" 1
1038 2 43 GLY QA 2 46 ASP QB 3.800 . 4.300 2.926 2.171 4.209 . 0 0 "[ . 1 . 2]" 1
1039 1 43 GLY QA 1 46 ASP H 3.800 . 4.300 2.927 2.680 3.258 . 0 0 "[ . 1 . 2]" 1
1040 2 43 GLY QA 2 46 ASP H 3.800 . 4.300 2.927 2.679 3.259 . 0 0 "[ . 1 . 2]" 1
1041 1 44 PHE H 1 44 PHE HB2 3.800 . 4.300 2.436 2.402 2.485 . 0 0 "[ . 1 . 2]" 1
1042 1 44 PHE HA 1 45 LEU HA 4.500 . 5.000 4.830 4.779 4.892 . 0 0 "[ . 1 . 2]" 1
1043 2 44 PHE HA 2 45 LEU HA 4.500 . 5.000 4.830 4.780 4.893 . 0 0 "[ . 1 . 2]" 1
1044 1 44 PHE QD 1 45 LEU QB 4.500 . 5.000 4.164 3.731 4.541 . 0 0 "[ . 1 . 2]" 1
1045 2 44 PHE QD 2 45 LEU QB 4.500 . 5.000 4.164 3.730 4.540 . 0 0 "[ . 1 . 2]" 1
1046 1 44 PHE H 1 45 LEU QB 5.200 . 5.700 4.612 4.500 4.899 . 0 0 "[ . 1 . 2]" 1
1047 2 44 PHE H 2 45 LEU QB 5.200 . 5.700 4.612 4.500 4.899 . 0 0 "[ . 1 . 2]" 1
1048 1 44 PHE QD 1 45 LEU QD 3.800 . 4.300 3.558 2.153 4.200 . 0 0 "[ . 1 . 2]" 1
1049 2 44 PHE QD 2 45 LEU QD 3.800 . 4.300 3.558 2.153 4.199 . 0 0 "[ . 1 . 2]" 1
1050 1 44 PHE H 1 45 LEU QD 5.200 . 5.700 5.312 3.441 5.715 0.015 13 0 "[ . 1 . 2]" 1
1051 2 44 PHE H 2 45 LEU QD 5.200 . 5.700 5.312 3.441 5.715 0.015 13 0 "[ . 1 . 2]" 1
1052 1 44 PHE H 1 45 LEU H 4.500 . 5.000 2.820 2.766 2.889 . 0 0 "[ . 1 . 2]" 1
1053 2 44 PHE H 2 45 LEU H 4.500 . 5.000 2.820 2.766 2.888 . 0 0 "[ . 1 . 2]" 1
1054 1 44 PHE HA 1 47 ALA MB 3.800 . 4.300 2.646 1.984 3.368 . 0 0 "[ . 1 . 2]" 1
1055 2 44 PHE HA 2 47 ALA MB 3.800 . 4.300 2.646 1.983 3.368 . 0 0 "[ . 1 . 2]" 1
1056 1 45 LEU HA 1 45 LEU QD 3.800 . 4.300 2.156 1.980 2.834 . 0 0 "[ . 1 . 2]" 1
1057 2 45 LEU HA 2 45 LEU QD 3.800 . 4.300 2.155 1.980 2.835 . 0 0 "[ . 1 . 2]" 1
1058 1 45 LEU H 1 45 LEU QD 4.500 . 5.000 3.364 1.791 3.679 0.009 20 0 "[ . 1 . 2]" 1
1059 2 45 LEU H 2 45 LEU QD 4.500 . 5.000 3.364 1.791 3.679 0.009 20 0 "[ . 1 . 2]" 1
1060 1 45 LEU HA 1 45 LEU MD1 3.800 . 4.300 2.449 2.160 3.792 . 0 0 "[ . 1 . 2]" 1
1061 2 45 LEU HA 2 45 LEU MD1 3.800 . 4.300 2.449 2.160 3.792 . 0 0 "[ . 1 . 2]" 1
1062 1 45 LEU HA 1 45 LEU MD2 3.800 . 4.300 3.404 2.051 3.840 . 0 0 "[ . 1 . 2]" 1
1063 2 45 LEU HA 2 45 LEU MD2 3.800 . 4.300 3.403 2.050 3.839 . 0 0 "[ . 1 . 2]" 1
1064 1 45 LEU HA 1 46 ASP HA 4.500 . 5.000 4.712 4.594 4.898 . 0 0 "[ . 1 . 2]" 1
1065 2 45 LEU HA 2 46 ASP HA 4.500 . 5.000 4.712 4.594 4.898 . 0 0 "[ . 1 . 2]" 1
1066 1 45 LEU QB 1 46 ASP HA 4.500 . 5.000 4.141 3.968 4.363 . 0 0 "[ . 1 . 2]" 1
1067 2 45 LEU QB 2 46 ASP HA 4.500 . 5.000 4.141 3.968 4.364 . 0 0 "[ . 1 . 2]" 1
1068 1 45 LEU QB 1 46 ASP H 4.500 . 5.000 2.632 2.461 2.840 . 0 0 "[ . 1 . 2]" 1
1069 2 45 LEU QB 2 46 ASP H 4.500 . 5.000 2.632 2.461 2.839 . 0 0 "[ . 1 . 2]" 1
1070 1 45 LEU QD 1 46 ASP H 4.500 . 5.000 3.936 3.452 4.127 . 0 0 "[ . 1 . 2]" 1
1071 2 45 LEU QD 2 46 ASP H 4.500 . 5.000 3.936 3.452 4.128 . 0 0 "[ . 1 . 2]" 1
1072 1 45 LEU MD1 1 46 ASP H 5.200 . 5.700 4.542 3.546 4.796 . 0 0 "[ . 1 . 2]" 1
1073 2 45 LEU MD1 2 46 ASP H 5.200 . 5.700 4.542 3.546 4.797 . 0 0 "[ . 1 . 2]" 1
1074 1 45 LEU MD2 1 46 ASP H 5.200 . 5.700 4.383 3.902 4.957 . 0 0 "[ . 1 . 2]" 1
1075 2 45 LEU MD2 2 46 ASP H 5.200 . 5.700 4.384 3.902 4.957 . 0 0 "[ . 1 . 2]" 1
1076 1 45 LEU HA 1 47 ALA MB 4.500 . 5.000 4.248 3.806 5.004 0.004 2 0 "[ . 1 . 2]" 1
1077 2 45 LEU HA 2 47 ALA MB 4.500 . 5.000 4.248 3.807 5.005 0.005 2 0 "[ . 1 . 2]" 1
1078 1 46 ASP QB 1 47 ALA MB 5.200 . 5.700 4.728 3.915 5.151 . 0 0 "[ . 1 . 2]" 1
1079 2 46 ASP QB 2 47 ALA MB 5.200 . 5.700 4.728 3.915 5.151 . 0 0 "[ . 1 . 2]" 1
1080 1 46 ASP HB3 1 47 ALA H 5.200 . 5.700 4.088 2.760 4.492 . 0 0 "[ . 1 . 2]" 1
1081 2 46 ASP HB3 2 47 ALA H 5.200 . 5.700 4.088 2.759 4.493 . 0 0 "[ . 1 . 2]" 1
1082 1 46 ASP HB2 1 47 ALA H 5.200 . 5.700 4.075 3.660 4.499 . 0 0 "[ . 1 . 2]" 1
1083 2 46 ASP HB2 2 47 ALA H 5.200 . 5.700 4.075 3.663 4.498 . 0 0 "[ . 1 . 2]" 1
1084 1 46 ASP H 1 47 ALA H 4.500 . 5.000 2.615 2.280 2.772 . 0 0 "[ . 1 . 2]" 1
1085 2 46 ASP H 2 47 ALA H 4.500 . 5.000 2.615 2.281 2.772 . 0 0 "[ . 1 . 2]" 1
1086 1 47 ALA MB 1 48 GLN QG 4.500 . 5.000 3.936 3.553 4.378 . 0 0 "[ . 1 . 2]" 1
1087 2 47 ALA MB 2 48 GLN QG 4.500 . 5.000 3.936 3.553 4.378 . 0 0 "[ . 1 . 2]" 1
1088 1 47 ALA MB 1 48 GLN H 3.800 . 4.300 2.949 1.933 3.556 . 0 0 "[ . 1 . 2]" 1
1089 2 47 ALA MB 2 48 GLN H 3.800 . 4.300 2.950 1.934 3.555 . 0 0 "[ . 1 . 2]" 1
1090 1 47 ALA MB 1 51 VAL HB 4.500 . 5.000 4.000 2.129 5.028 0.028 14 0 "[ . 1 . 2]" 1
1091 2 47 ALA MB 2 51 VAL HB 4.500 . 5.000 4.000 2.130 5.028 0.028 14 0 "[ . 1 . 2]" 1
1092 1 47 ALA HA 1 51 VAL QG 4.500 . 5.000 2.824 1.944 4.586 . 0 0 "[ . 1 . 2]" 1
1093 2 47 ALA HA 2 51 VAL QG 4.500 . 5.000 2.824 1.945 4.586 . 0 0 "[ . 1 . 2]" 1
1094 1 48 GLN HA 1 48 GLN QE 5.200 . 5.700 4.517 3.212 4.708 . 0 0 "[ . 1 . 2]" 1
1095 2 48 GLN HA 2 48 GLN QE 5.200 . 5.700 4.517 3.213 4.708 . 0 0 "[ . 1 . 2]" 1
1096 1 48 GLN HA 1 48 GLN QG 3.800 . 4.300 2.409 2.337 2.976 . 0 0 "[ . 1 . 2]" 1
1097 2 48 GLN HA 2 48 GLN QG 3.800 . 4.300 2.409 2.336 2.973 . 0 0 "[ . 1 . 2]" 1
1098 1 48 GLN H 1 48 GLN QG 4.500 . 5.000 2.049 1.827 2.345 . 0 0 "[ . 1 . 2]" 1
1099 2 48 GLN H 2 48 GLN QG 4.500 . 5.000 2.048 1.820 2.344 . 0 0 "[ . 1 . 2]" 1
1100 1 48 GLN QB 1 49 LYS HG2 3.800 . 4.300 2.990 2.817 3.310 . 0 0 "[ . 1 . 2]" 1
1101 2 48 GLN QB 2 49 LYS HG2 3.800 . 4.300 2.990 2.819 3.309 . 0 0 "[ . 1 . 2]" 1
1102 1 48 GLN HB3 1 49 LYS HG2 4.500 . 5.000 3.313 2.987 4.449 . 0 0 "[ . 1 . 2]" 1
1103 2 48 GLN HB3 2 49 LYS HG2 4.500 . 5.000 3.314 2.987 4.448 . 0 0 "[ . 1 . 2]" 1
1104 1 48 GLN HB2 1 49 LYS HG2 4.500 . 5.000 3.644 3.151 4.548 . 0 0 "[ . 1 . 2]" 1
1105 2 48 GLN HB2 2 49 LYS HG2 4.500 . 5.000 3.644 3.151 4.549 . 0 0 "[ . 1 . 2]" 1
1106 1 48 GLN QG 1 49 LYS HG2 5.200 . 5.700 5.054 4.634 5.333 . 0 0 "[ . 1 . 2]" 1
1107 2 48 GLN QG 2 49 LYS HG2 5.200 . 5.700 5.054 4.636 5.332 . 0 0 "[ . 1 . 2]" 1
1108 1 49 LYS HA 1 49 LYS HG2 3.800 . 4.300 3.705 3.676 3.712 . 0 0 "[ . 1 . 2]" 1
1109 2 49 LYS HA 2 49 LYS HG2 3.800 . 4.300 3.705 3.677 3.712 . 0 0 "[ . 1 . 2]" 1
1110 1 49 LYS HG3 1 50 ASP HA 4.500 . 5.000 3.153 3.055 3.263 . 0 0 "[ . 1 . 2]" 1
1111 2 49 LYS HG3 2 50 ASP HA 4.500 . 5.000 3.154 3.057 3.264 . 0 0 "[ . 1 . 2]" 1
1112 1 49 LYS HG3 1 50 ASP HB2 5.200 . 5.700 4.734 4.438 5.046 . 0 0 "[ . 1 . 2]" 1
1113 2 49 LYS HG3 2 50 ASP HB2 5.200 . 5.700 4.735 4.439 5.046 . 0 0 "[ . 1 . 2]" 1
1114 1 49 LYS HG2 1 50 ASP HB2 5.200 . 5.700 4.718 4.407 5.050 . 0 0 "[ . 1 . 2]" 1
1115 2 49 LYS HG2 2 50 ASP HB2 5.200 . 5.700 4.719 4.407 5.051 . 0 0 "[ . 1 . 2]" 1
1116 1 49 LYS HA 1 50 ASP H 3.800 . 4.300 3.467 3.422 3.518 . 0 0 "[ . 1 . 2]" 1
1117 2 49 LYS HA 2 50 ASP H 3.800 . 4.300 3.467 3.422 3.519 . 0 0 "[ . 1 . 2]" 1
1118 1 49 LYS QB 1 50 ASP H 4.500 . 5.000 3.576 3.443 3.720 . 0 0 "[ . 1 . 2]" 1
1119 2 49 LYS QB 2 50 ASP H 4.500 . 5.000 3.576 3.442 3.721 . 0 0 "[ . 1 . 2]" 1
1120 1 49 LYS HB3 1 50 ASP H 4.500 . 5.000 4.004 3.859 4.162 . 0 0 "[ . 1 . 2]" 1
1121 2 49 LYS HB3 2 50 ASP H 4.500 . 5.000 4.004 3.859 4.163 . 0 0 "[ . 1 . 2]" 1
1122 1 49 LYS HB2 1 50 ASP H 4.500 . 5.000 4.024 3.870 4.190 . 0 0 "[ . 1 . 2]" 1
1123 2 49 LYS HB2 2 50 ASP H 4.500 . 5.000 4.024 3.868 4.190 . 0 0 "[ . 1 . 2]" 1
1124 1 49 LYS HG2 1 50 ASP H 4.500 . 5.000 2.484 2.232 2.790 . 0 0 "[ . 1 . 2]" 1
1125 2 49 LYS HG2 2 50 ASP H 4.500 . 5.000 2.484 2.231 2.791 . 0 0 "[ . 1 . 2]" 1
1126 1 50 ASP HA 1 51 VAL HA 5.200 . 5.700 4.881 4.841 4.937 . 0 0 "[ . 1 . 2]" 1
1127 2 50 ASP HA 2 51 VAL HA 5.200 . 5.700 4.881 4.841 4.935 . 0 0 "[ . 1 . 2]" 1
1128 1 50 ASP HB2 1 51 VAL HA 4.500 . 5.000 4.336 4.291 4.395 . 0 0 "[ . 1 . 2]" 1
1129 2 50 ASP HB2 2 51 VAL HA 4.500 . 5.000 4.336 4.293 4.395 . 0 0 "[ . 1 . 2]" 1
1130 1 50 ASP HA 1 51 VAL QG 4.500 . 5.000 4.610 4.292 4.917 . 0 0 "[ . 1 . 2]" 1
1131 2 50 ASP HA 2 51 VAL QG 4.500 . 5.000 4.610 4.292 4.917 . 0 0 "[ . 1 . 2]" 1
1132 1 50 ASP HA 1 51 VAL H 3.800 . 4.300 3.518 3.491 3.547 . 0 0 "[ . 1 . 2]" 1
1133 2 50 ASP HA 2 51 VAL H 3.800 . 4.300 3.518 3.489 3.547 . 0 0 "[ . 1 . 2]" 1
1134 1 50 ASP HA 1 52 ASP H 3.800 . 4.300 3.794 3.406 4.070 . 0 0 "[ . 1 . 2]" 1
1135 2 50 ASP HA 2 52 ASP H 3.800 . 4.300 3.793 3.406 4.068 . 0 0 "[ . 1 . 2]" 1
1136 1 50 ASP HB3 1 53 ALA MB 4.500 . 5.000 3.993 3.475 4.473 . 0 0 "[ . 1 . 2]" 1
1137 2 50 ASP HB3 2 53 ALA MB 4.500 . 5.000 3.993 3.475 4.473 . 0 0 "[ . 1 . 2]" 1
1138 1 50 ASP HB2 1 53 ALA MB 5.200 . 5.700 5.143 4.674 5.552 . 0 0 "[ . 1 . 2]" 1
1139 2 50 ASP HB2 2 53 ALA MB 5.200 . 5.700 5.143 4.672 5.552 . 0 0 "[ . 1 . 2]" 1
1140 1 51 VAL HA 1 51 VAL QG 2.800 . 3.300 2.213 2.060 2.403 . 0 0 "[ . 1 . 2]" 1
1141 2 51 VAL HA 2 51 VAL QG 2.800 . 3.300 2.213 2.060 2.404 . 0 0 "[ . 1 . 2]" 1
1142 1 51 VAL HA 1 52 ASP HA 4.500 . 5.000 4.854 4.792 4.891 . 0 0 "[ . 1 . 2]" 1
1143 2 51 VAL HA 2 52 ASP HA 4.500 . 5.000 4.854 4.792 4.892 . 0 0 "[ . 1 . 2]" 1
1144 1 51 VAL QG 1 52 ASP HA 4.500 . 5.000 3.091 2.939 3.323 . 0 0 "[ . 1 . 2]" 1
1145 2 51 VAL QG 2 52 ASP HA 4.500 . 5.000 3.091 2.939 3.323 . 0 0 "[ . 1 . 2]" 1
1146 1 51 VAL QG 1 52 ASP QB 3.800 . 4.300 3.660 3.039 4.352 0.052 20 0 "[ . 1 . 2]" 1
1147 2 51 VAL QG 2 52 ASP QB 3.800 . 4.300 3.660 3.039 4.353 0.053 20 0 "[ . 1 . 2]" 1
1148 1 51 VAL HB 1 52 ASP H 4.500 . 5.000 3.727 2.633 4.220 . 0 0 "[ . 1 . 2]" 1
1149 2 51 VAL HB 2 52 ASP H 4.500 . 5.000 3.727 2.634 4.220 . 0 0 "[ . 1 . 2]" 1
1150 1 51 VAL QG 1 52 ASP H 4.500 . 5.000 2.297 1.807 3.232 . 0 0 "[ . 1 . 2]" 1
1151 2 51 VAL QG 2 52 ASP H 4.500 . 5.000 2.297 1.807 3.232 . 0 0 "[ . 1 . 2]" 1
1152 1 51 VAL QG 1 53 ALA H 4.500 . 5.000 4.122 3.937 4.394 . 0 0 "[ . 1 . 2]" 1
1153 2 51 VAL QG 2 53 ALA H 4.500 . 5.000 4.122 3.936 4.394 . 0 0 "[ . 1 . 2]" 1
1154 1 51 VAL HA 1 54 VAL H 4.500 . 5.000 3.420 3.226 3.518 . 0 0 "[ . 1 . 2]" 1
1155 2 51 VAL HA 2 54 VAL H 4.500 . 5.000 3.420 3.225 3.519 . 0 0 "[ . 1 . 2]" 1
1156 1 51 VAL QG 1 54 VAL H 4.500 . 5.000 3.857 3.533 4.371 . 0 0 "[ . 1 . 2]" 1
1157 2 51 VAL QG 2 54 VAL H 4.500 . 5.000 3.857 3.534 4.372 . 0 0 "[ . 1 . 2]" 1
1158 1 52 ASP QB 1 53 ALA H 4.500 . 5.000 2.943 2.659 3.569 . 0 0 "[ . 1 . 2]" 1
1159 2 52 ASP QB 2 53 ALA H 4.500 . 5.000 2.943 2.659 3.568 . 0 0 "[ . 1 . 2]" 1
1160 1 52 ASP H 1 53 ALA H 4.500 . 5.000 2.722 2.642 2.803 . 0 0 "[ . 1 . 2]" 1
1161 2 52 ASP H 2 53 ALA H 4.500 . 5.000 2.722 2.641 2.802 . 0 0 "[ . 1 . 2]" 1
1162 1 52 ASP HA 1 54 VAL QG 4.500 . 5.000 3.310 2.923 4.592 . 0 0 "[ . 1 . 2]" 1
1163 2 52 ASP HA 2 54 VAL QG 4.500 . 5.000 3.310 2.924 4.592 . 0 0 "[ . 1 . 2]" 1
1164 1 53 ALA MB 1 54 VAL HB 4.500 . 5.000 4.458 4.309 4.903 . 0 0 "[ . 1 . 2]" 1
1165 2 53 ALA MB 2 54 VAL HB 4.500 . 5.000 4.458 4.308 4.904 . 0 0 "[ . 1 . 2]" 1
1166 1 53 ALA HA 1 54 VAL QG 4.500 . 5.000 4.652 4.559 4.853 . 0 0 "[ . 1 . 2]" 1
1167 2 53 ALA HA 2 54 VAL QG 4.500 . 5.000 4.652 4.560 4.853 . 0 0 "[ . 1 . 2]" 1
1168 1 53 ALA H 1 54 VAL QG 4.500 . 5.000 4.152 3.879 4.276 . 0 0 "[ . 1 . 2]" 1
1169 2 53 ALA H 2 54 VAL QG 4.500 . 5.000 4.152 3.881 4.277 . 0 0 "[ . 1 . 2]" 1
1170 1 53 ALA MB 1 54 VAL H 4.500 . 5.000 2.808 2.769 2.835 . 0 0 "[ . 1 . 2]" 1
1171 2 53 ALA MB 2 54 VAL H 4.500 . 5.000 2.808 2.769 2.834 . 0 0 "[ . 1 . 2]" 1
1172 1 53 ALA H 1 54 VAL H 4.500 . 5.000 2.657 2.612 2.697 . 0 0 "[ . 1 . 2]" 1
1173 2 53 ALA H 2 54 VAL H 4.500 . 5.000 2.658 2.613 2.696 . 0 0 "[ . 1 . 2]" 1
1174 1 53 ALA HA 1 55 ASP QB 5.200 . 5.700 4.401 4.208 4.571 . 0 0 "[ . 1 . 2]" 1
1175 2 53 ALA HA 2 55 ASP QB 5.200 . 5.700 4.401 4.207 4.571 . 0 0 "[ . 1 . 2]" 1
1176 1 53 ALA HA 1 55 ASP H 4.500 . 5.000 3.894 3.826 4.017 . 0 0 "[ . 1 . 2]" 1
1177 2 53 ALA HA 2 55 ASP H 4.500 . 5.000 3.894 3.825 4.020 . 0 0 "[ . 1 . 2]" 1
1178 1 53 ALA MB 1 55 ASP H 4.500 . 5.000 4.490 4.457 4.567 . 0 0 "[ . 1 . 2]" 1
1179 2 53 ALA MB 2 55 ASP H 4.500 . 5.000 4.490 4.457 4.568 . 0 0 "[ . 1 . 2]" 1
1180 1 53 ALA HA 1 56 LYS HB2 3.800 . 4.300 2.788 2.569 3.145 . 0 0 "[ . 1 . 2]" 1
1181 2 53 ALA HA 2 56 LYS HB2 3.800 . 4.300 2.788 2.568 3.147 . 0 0 "[ . 1 . 2]" 1
1182 1 53 ALA MB 1 56 LYS HB2 4.500 . 5.000 3.445 3.148 3.838 . 0 0 "[ . 1 . 2]" 1
1183 2 53 ALA MB 2 56 LYS HB2 4.500 . 5.000 3.445 3.147 3.839 . 0 0 "[ . 1 . 2]" 1
1184 1 53 ALA HA 1 56 LYS HD3 5.200 . 5.700 4.450 4.092 5.057 . 0 0 "[ . 1 . 2]" 1
1185 2 53 ALA HA 2 56 LYS HD3 5.200 . 5.700 4.450 4.091 5.056 . 0 0 "[ . 1 . 2]" 1
1186 1 53 ALA HA 1 56 LYS HD2 5.200 . 5.700 3.099 2.472 5.298 . 0 0 "[ . 1 . 2]" 1
1187 2 53 ALA HA 2 56 LYS HD2 5.200 . 5.700 3.099 2.473 5.297 . 0 0 "[ . 1 . 2]" 1
1188 1 53 ALA HA 1 56 LYS QG 4.500 . 5.000 2.834 2.490 3.408 . 0 0 "[ . 1 . 2]" 1
1189 2 53 ALA HA 2 56 LYS QG 4.500 . 5.000 2.834 2.489 3.408 . 0 0 "[ . 1 . 2]" 1
1190 1 53 ALA HA 1 56 LYS H 4.500 . 5.000 3.035 2.909 3.193 . 0 0 "[ . 1 . 2]" 1
1191 2 53 ALA HA 2 56 LYS H 4.500 . 5.000 3.036 2.910 3.193 . 0 0 "[ . 1 . 2]" 1
1192 1 53 ALA MB 1 57 VAL HB 5.200 . 5.700 5.327 3.693 5.713 0.013 3 0 "[ . 1 . 2]" 1
1193 2 53 ALA MB 2 57 VAL HB 5.200 . 5.700 5.327 3.693 5.712 0.012 3 0 "[ . 1 . 2]" 1
1194 1 53 ALA HA 1 57 VAL H 4.500 . 5.000 4.250 4.010 4.451 . 0 0 "[ . 1 . 2]" 1
1195 2 53 ALA HA 2 57 VAL H 4.500 . 5.000 4.250 4.008 4.451 . 0 0 "[ . 1 . 2]" 1
1196 1 53 ALA MB 1 57 VAL H 4.500 . 5.000 4.131 4.051 4.233 . 0 0 "[ . 1 . 2]" 1
1197 2 53 ALA MB 2 57 VAL H 4.500 . 5.000 4.131 4.052 4.233 . 0 0 "[ . 1 . 2]" 1
1198 1 54 VAL H 1 54 VAL HB 3.800 . 4.300 2.347 2.305 2.505 . 0 0 "[ . 1 . 2]" 1
1199 2 54 VAL H 2 54 VAL HB 3.800 . 4.300 2.347 2.305 2.505 . 0 0 "[ . 1 . 2]" 1
1200 1 54 VAL H 1 54 VAL MG1 4.500 . 5.000 2.676 2.417 3.755 . 0 0 "[ . 1 . 2]" 1
1201 2 54 VAL H 2 54 VAL MG1 4.500 . 5.000 2.676 2.418 3.755 . 0 0 "[ . 1 . 2]" 1
1202 1 54 VAL H 1 54 VAL MG2 4.500 . 5.000 3.465 2.062 3.709 . 0 0 "[ . 1 . 2]" 1
1203 2 54 VAL H 2 54 VAL MG2 4.500 . 5.000 3.465 2.063 3.709 . 0 0 "[ . 1 . 2]" 1
1204 1 54 VAL QG 1 55 ASP HA 4.500 . 5.000 3.031 2.918 3.401 . 0 0 "[ . 1 . 2]" 1
1205 2 54 VAL QG 2 55 ASP HA 4.500 . 5.000 3.031 2.917 3.401 . 0 0 "[ . 1 . 2]" 1
1206 1 54 VAL QG 1 55 ASP QB 4.500 . 5.000 3.419 2.838 4.487 . 0 0 "[ . 1 . 2]" 1
1207 2 54 VAL QG 2 55 ASP QB 4.500 . 5.000 3.419 2.838 4.487 . 0 0 "[ . 1 . 2]" 1
1208 1 54 VAL HB 1 55 ASP H 4.500 . 5.000 3.633 2.589 3.840 . 0 0 "[ . 1 . 2]" 1
1209 2 54 VAL HB 2 55 ASP H 4.500 . 5.000 3.632 2.589 3.841 . 0 0 "[ . 1 . 2]" 1
1210 1 54 VAL QG 1 55 ASP H 3.800 . 4.300 2.014 1.786 3.242 0.014 15 0 "[ . 1 . 2]" 1
1211 2 54 VAL QG 2 55 ASP H 3.800 . 4.300 2.014 1.787 3.242 0.013 15 0 "[ . 1 . 2]" 1
1212 1 54 VAL H 1 55 ASP H 3.800 . 4.300 2.756 2.714 2.803 . 0 0 "[ . 1 . 2]" 1
1213 2 54 VAL H 2 55 ASP H 3.800 . 4.300 2.755 2.715 2.803 . 0 0 "[ . 1 . 2]" 1
1214 1 54 VAL HA 1 57 VAL HB 4.500 . 5.000 4.635 3.665 4.993 . 0 0 "[ . 1 . 2]" 1
1215 2 54 VAL HA 2 57 VAL HB 4.500 . 5.000 4.635 3.665 4.992 . 0 0 "[ . 1 . 2]" 1
1216 1 54 VAL HA 1 57 VAL MG2 4.500 . 5.000 2.594 2.044 4.557 . 0 0 "[ . 1 . 2]" 1
1217 2 54 VAL HA 2 57 VAL MG2 4.500 . 5.000 2.594 2.044 4.558 . 0 0 "[ . 1 . 2]" 1
1218 1 54 VAL HA 1 57 VAL H 4.500 . 5.000 3.520 3.153 3.818 . 0 0 "[ . 1 . 2]" 1
1219 2 54 VAL HA 2 57 VAL H 4.500 . 5.000 3.519 3.153 3.817 . 0 0 "[ . 1 . 2]" 1
1220 1 55 ASP H 1 56 LYS HB2 5.200 . 5.700 4.775 4.677 4.896 . 0 0 "[ . 1 . 2]" 1
1221 2 55 ASP H 2 56 LYS HB2 5.200 . 5.700 4.775 4.679 4.896 . 0 0 "[ . 1 . 2]" 1
1222 1 55 ASP QB 1 56 LYS QG 4.500 . 5.000 3.108 3.044 3.179 . 0 0 "[ . 1 . 2]" 1
1223 2 55 ASP QB 2 56 LYS QG 4.500 . 5.000 3.108 3.044 3.180 . 0 0 "[ . 1 . 2]" 1
1224 1 55 ASP HA 1 58 MET QB 4.500 . 5.000 3.174 2.669 3.428 . 0 0 "[ . 1 . 2]" 1
1225 2 55 ASP HA 2 58 MET QB 4.500 . 5.000 3.174 2.669 3.429 . 0 0 "[ . 1 . 2]" 1
1226 1 55 ASP H 1 58 MET QB 5.200 . 5.700 5.349 4.597 5.705 0.005 6 0 "[ . 1 . 2]" 1
1227 2 55 ASP H 2 58 MET QB 5.200 . 5.700 5.350 4.597 5.704 0.004 6 0 "[ . 1 . 2]" 1
1228 1 56 LYS H 1 56 LYS HB2 3.800 . 4.300 2.449 2.420 2.537 . 0 0 "[ . 1 . 2]" 1
1229 2 56 LYS H 2 56 LYS HB2 3.800 . 4.300 2.449 2.420 2.538 . 0 0 "[ . 1 . 2]" 1
1230 1 56 LYS HA 1 56 LYS QD 4.500 . 5.000 3.802 2.110 3.904 . 0 0 "[ . 1 . 2]" 1
1231 2 56 LYS HA 2 56 LYS QD 4.500 . 5.000 3.802 2.110 3.904 . 0 0 "[ . 1 . 2]" 1
1232 1 56 LYS HA 1 56 LYS HD3 5.200 . 5.700 4.158 2.182 4.634 . 0 0 "[ . 1 . 2]" 1
1233 2 56 LYS HA 2 56 LYS HD3 5.200 . 5.700 4.158 2.182 4.633 . 0 0 "[ . 1 . 2]" 1
1234 1 56 LYS HA 1 56 LYS HD2 5.200 . 5.700 4.444 2.800 4.589 . 0 0 "[ . 1 . 2]" 1
1235 2 56 LYS HA 2 56 LYS HD2 5.200 . 5.700 4.444 2.800 4.589 . 0 0 "[ . 1 . 2]" 1
1236 1 56 LYS HB3 1 56 LYS QE 4.500 . 5.000 3.928 2.774 4.197 . 0 0 "[ . 1 . 2]" 1
1237 2 56 LYS HB3 2 56 LYS QE 4.500 . 5.000 3.928 2.773 4.198 . 0 0 "[ . 1 . 2]" 1
1238 1 56 LYS HA 1 56 LYS QG 3.800 . 4.300 2.325 2.245 2.924 . 0 0 "[ . 1 . 2]" 1
1239 2 56 LYS HA 2 56 LYS QG 3.800 . 4.300 2.325 2.247 2.925 . 0 0 "[ . 1 . 2]" 1
1240 1 56 LYS H 1 56 LYS QG 4.500 . 5.000 2.157 1.990 2.227 . 0 0 "[ . 1 . 2]" 1
1241 2 56 LYS H 2 56 LYS QG 4.500 . 5.000 2.158 1.990 2.229 . 0 0 "[ . 1 . 2]" 1
1242 1 56 LYS HA 1 57 VAL HA 4.500 . 5.000 4.711 4.678 4.776 . 0 0 "[ . 1 . 2]" 1
1243 2 56 LYS HA 2 57 VAL HA 4.500 . 5.000 4.712 4.678 4.776 . 0 0 "[ . 1 . 2]" 1
1244 1 56 LYS H 1 57 VAL MG1 5.200 . 5.700 4.053 3.834 4.185 . 0 0 "[ . 1 . 2]" 1
1245 2 56 LYS H 2 57 VAL MG1 4.500 . 5.000 4.054 3.834 4.184 . 0 0 "[ . 1 . 2]" 1
1246 1 56 LYS H 1 57 VAL MG2 5.200 . 5.700 4.459 3.899 5.801 0.101 6 0 "[ . 1 . 2]" 1
1247 2 56 LYS H 2 57 VAL MG2 5.200 . 5.700 4.459 3.899 5.800 0.100 6 0 "[ . 1 . 2]" 1
1248 1 56 LYS HB2 1 57 VAL H 3.800 . 4.300 2.654 2.458 2.780 . 0 0 "[ . 1 . 2]" 1
1249 2 56 LYS HB2 2 57 VAL H 3.800 . 4.300 2.654 2.461 2.781 . 0 0 "[ . 1 . 2]" 1
1250 1 56 LYS QG 1 57 VAL H 5.200 . 5.700 4.089 3.968 4.160 . 0 0 "[ . 1 . 2]" 1
1251 2 56 LYS QG 2 57 VAL H 5.200 . 5.700 4.089 3.970 4.161 . 0 0 "[ . 1 . 2]" 1
1252 1 56 LYS H 1 57 VAL H 3.800 . 4.300 2.742 2.582 2.811 . 0 0 "[ . 1 . 2]" 1
1253 2 56 LYS H 2 57 VAL H 3.800 . 4.300 2.742 2.582 2.813 . 0 0 "[ . 1 . 2]" 1
1254 1 57 VAL H 1 57 VAL HB 3.800 . 4.300 3.371 2.257 3.660 . 0 0 "[ . 1 . 2]" 1
1255 2 57 VAL H 2 57 VAL HB 3.800 . 4.300 3.371 2.258 3.660 . 0 0 "[ . 1 . 2]" 1
1256 1 57 VAL H 1 58 MET H 3.800 . 4.300 2.649 2.502 2.760 . 0 0 "[ . 1 . 2]" 1
1257 2 57 VAL H 2 58 MET H 3.800 . 4.300 2.649 2.502 2.760 . 0 0 "[ . 1 . 2]" 1
1258 1 57 VAL HA 1 60 GLU QB 4.500 . 5.000 3.196 2.739 3.534 . 0 0 "[ . 1 . 2]" 1
1259 2 57 VAL HA 2 60 GLU QB 4.500 . 5.000 3.196 2.739 3.534 . 0 0 "[ . 1 . 2]" 1
1260 1 57 VAL HA 1 60 GLU QG 4.500 . 5.000 3.973 2.842 5.010 0.010 10 0 "[ . 1 . 2]" 1
1261 2 57 VAL HA 2 60 GLU QG 4.500 . 5.000 3.973 2.843 5.010 0.010 10 0 "[ . 1 . 2]" 1
1262 1 57 VAL HA 1 60 GLU H 4.500 . 5.000 3.405 3.180 3.700 . 0 0 "[ . 1 . 2]" 1
1263 2 57 VAL HA 2 60 GLU H 4.500 . 5.000 3.405 3.179 3.703 . 0 0 "[ . 1 . 2]" 1
1264 1 58 MET QB 1 59 LYS H 3.800 . 4.300 2.605 2.344 2.716 . 0 0 "[ . 1 . 2]" 1
1265 2 58 MET QB 2 59 LYS H 3.800 . 4.300 2.605 2.344 2.717 . 0 0 "[ . 1 . 2]" 1
1266 1 58 MET H 1 59 LYS H 3.800 . 4.300 2.805 2.750 2.869 . 0 0 "[ . 1 . 2]" 1
1267 2 58 MET H 2 59 LYS H 3.800 . 4.300 2.806 2.749 2.870 . 0 0 "[ . 1 . 2]" 1
1268 1 58 MET H 1 60 GLU H 4.500 . 5.000 4.409 4.157 4.565 . 0 0 "[ . 1 . 2]" 1
1269 2 58 MET H 2 60 GLU H 4.500 . 5.000 4.409 4.156 4.566 . 0 0 "[ . 1 . 2]" 1
1270 1 58 MET HA 1 61 LEU QB 4.500 . 5.000 2.857 2.506 3.831 . 0 0 "[ . 1 . 2]" 1
1271 2 58 MET HA 2 61 LEU QB 4.500 . 5.000 2.857 2.506 3.829 . 0 0 "[ . 1 . 2]" 1
1272 1 58 MET HA 1 61 LEU QD 4.500 . 5.000 2.866 2.021 3.420 . 0 0 "[ . 1 . 2]" 1
1273 2 58 MET HA 2 61 LEU QD 4.500 . 5.000 2.866 2.020 3.420 . 0 0 "[ . 1 . 2]" 1
1274 1 58 MET HA 1 61 LEU MD1 4.500 . 5.000 3.072 2.228 4.968 . 0 0 "[ . 1 . 2]" 1
1275 2 58 MET HA 2 61 LEU MD1 4.500 . 5.000 3.072 2.227 4.968 . 0 0 "[ . 1 . 2]" 1
1276 1 58 MET HA 1 61 LEU MD2 4.500 . 5.000 4.405 2.028 5.011 0.011 2 0 "[ . 1 . 2]" 1
1277 2 58 MET HA 2 61 LEU MD2 4.500 . 5.000 4.405 2.026 5.012 0.012 2 0 "[ . 1 . 2]" 1
1278 1 58 MET HA 1 62 ASP QB 4.500 . 5.000 4.475 3.996 5.003 0.003 18 0 "[ . 1 . 2]" 1
1279 2 58 MET HA 2 62 ASP QB 4.500 . 5.000 4.475 3.996 5.004 0.004 18 0 "[ . 1 . 2]" 1
1280 1 58 MET ME 1 67 GLY QA 3.800 . 4.300 3.496 2.400 3.849 . 0 0 "[ . 1 . 2]" 1
1281 2 58 MET ME 2 67 GLY QA 3.800 . 4.300 3.496 2.400 3.849 . 0 0 "[ . 1 . 2]" 1
1282 1 58 MET ME 1 67 GLY HA3 4.500 . 5.000 4.725 3.645 5.062 0.062 20 0 "[ . 1 . 2]" 1
1283 2 58 MET ME 2 67 GLY HA3 4.500 . 5.000 4.724 3.645 5.061 0.061 20 0 "[ . 1 . 2]" 1
1284 1 58 MET ME 1 67 GLY HA2 4.500 . 5.000 3.605 2.434 3.999 . 0 0 "[ . 1 . 2]" 1
1285 2 58 MET ME 2 67 GLY HA2 4.500 . 5.000 3.605 2.435 3.999 . 0 0 "[ . 1 . 2]" 1
1286 1 58 MET ME 1 68 GLU HA 3.800 . 4.300 3.948 3.217 4.308 0.008 20 0 "[ . 1 . 2]" 1
1287 2 58 MET ME 2 68 GLU HA 3.800 . 4.300 3.948 3.219 4.308 0.008 20 0 "[ . 1 . 2]" 1
1288 1 58 MET ME 1 69 VAL HA 4.500 . 5.000 4.136 3.631 4.508 . 0 0 "[ . 1 . 2]" 1
1289 2 58 MET ME 2 69 VAL HA 4.500 . 5.000 4.135 3.632 4.508 . 0 0 "[ . 1 . 2]" 1
1290 1 58 MET HA 1 69 VAL QG 4.500 . 5.000 4.563 3.953 5.011 0.011 5 0 "[ . 1 . 2]" 1
1291 2 58 MET HA 2 69 VAL QG 4.500 . 5.000 4.563 3.952 5.010 0.010 5 0 "[ . 1 . 2]" 1
1292 1 58 MET QB 1 69 VAL QG 4.500 . 5.000 4.233 3.627 4.714 . 0 0 "[ . 1 . 2]" 1
1293 2 58 MET QB 2 69 VAL QG 4.500 . 5.000 4.232 3.627 4.713 . 0 0 "[ . 1 . 2]" 1
1294 1 58 MET ME 1 69 VAL QG 2.800 . 3.300 1.852 1.739 2.131 0.061 12 0 "[ . 1 . 2]" 1
1295 2 58 MET ME 2 69 VAL QG 2.800 . 3.300 1.852 1.739 2.130 0.061 12 0 "[ . 1 . 2]" 1
1296 1 58 MET ME 1 69 VAL H 4.500 . 5.000 4.147 3.745 4.543 . 0 0 "[ . 1 . 2]" 1
1297 2 58 MET ME 2 69 VAL H 4.500 . 5.000 4.147 3.745 4.543 . 0 0 "[ . 1 . 2]" 1
1298 1 59 LYS H 1 59 LYS QB 2.800 . 3.300 2.344 2.243 2.445 . 0 0 "[ . 1 . 2]" 1
1299 2 59 LYS H 2 59 LYS QB 2.800 . 3.300 2.344 2.243 2.444 . 0 0 "[ . 1 . 2]" 1
1300 1 59 LYS HA 1 59 LYS QD 3.800 . 4.300 3.757 2.170 3.978 . 0 0 "[ . 1 . 2]" 1
1301 2 59 LYS HA 2 59 LYS QD 3.800 . 4.300 3.757 2.171 3.978 . 0 0 "[ . 1 . 2]" 1
1302 1 59 LYS HA 1 59 LYS QG 3.800 . 4.300 2.373 2.298 2.779 . 0 0 "[ . 1 . 2]" 1
1303 2 59 LYS HA 2 59 LYS QG 3.800 . 4.300 2.373 2.296 2.779 . 0 0 "[ . 1 . 2]" 1
1304 1 59 LYS H 1 59 LYS QG 3.800 . 4.300 3.047 2.104 4.048 . 0 0 "[ . 1 . 2]" 1
1305 2 59 LYS H 2 59 LYS QG 3.800 . 4.300 3.047 2.103 4.048 . 0 0 "[ . 1 . 2]" 1
1306 1 59 LYS QB 1 60 GLU QG 5.200 . 5.700 3.911 3.044 5.591 . 0 0 "[ . 1 . 2]" 1
1307 2 59 LYS QB 2 60 GLU QG 5.200 . 5.700 3.911 3.044 5.590 . 0 0 "[ . 1 . 2]" 1
1308 1 59 LYS QB 1 60 GLU H 3.800 . 4.300 2.549 2.465 2.650 . 0 0 "[ . 1 . 2]" 1
1309 2 59 LYS QB 2 60 GLU H 3.800 . 4.300 2.549 2.466 2.650 . 0 0 "[ . 1 . 2]" 1
1310 1 59 LYS QG 1 60 GLU H 4.500 . 5.000 3.851 3.581 4.108 . 0 0 "[ . 1 . 2]" 1
1311 2 59 LYS QG 2 60 GLU H 4.500 . 5.000 3.851 3.582 4.107 . 0 0 "[ . 1 . 2]" 1
1312 1 59 LYS H 1 61 LEU H 4.500 . 5.000 4.266 4.143 4.419 . 0 0 "[ . 1 . 2]" 1
1313 2 59 LYS H 2 61 LEU H 4.500 . 5.000 4.266 4.143 4.419 . 0 0 "[ . 1 . 2]" 1
1314 1 60 GLU H 1 60 GLU QG 4.500 . 5.000 2.820 2.173 4.047 . 0 0 "[ . 1 . 2]" 1
1315 2 60 GLU H 2 60 GLU QG 4.500 . 5.000 2.820 2.173 4.047 . 0 0 "[ . 1 . 2]" 1
1316 1 60 GLU H 1 61 LEU HA 5.200 . 5.700 5.286 5.237 5.341 . 0 0 "[ . 1 . 2]" 1
1317 2 60 GLU H 2 61 LEU HA 5.200 . 5.700 5.286 5.239 5.343 . 0 0 "[ . 1 . 2]" 1
1318 1 60 GLU QB 1 61 LEU QD 3.800 . 4.300 2.989 2.226 4.313 0.013 19 0 "[ . 1 . 2]" 1
1319 2 60 GLU QB 2 61 LEU QD 3.800 . 4.300 2.988 2.226 4.312 0.012 19 0 "[ . 1 . 2]" 1
1320 1 60 GLU QG 1 61 LEU QD 5.200 . 5.700 4.159 3.128 5.116 . 0 0 "[ . 1 . 2]" 1
1321 2 60 GLU QG 2 61 LEU QD 5.200 . 5.700 4.160 3.129 5.117 . 0 0 "[ . 1 . 2]" 1
1322 1 60 GLU H 1 61 LEU QD 4.500 . 5.000 4.267 3.415 4.668 . 0 0 "[ . 1 . 2]" 1
1323 2 60 GLU H 2 61 LEU QD 4.500 . 5.000 4.266 3.415 4.668 . 0 0 "[ . 1 . 2]" 1
1324 1 60 GLU QB 1 61 LEU H 3.800 . 4.300 2.567 2.484 2.625 . 0 0 "[ . 1 . 2]" 1
1325 2 60 GLU QB 2 61 LEU H 3.800 . 4.300 2.567 2.483 2.626 . 0 0 "[ . 1 . 2]" 1
1326 1 60 GLU H 1 61 LEU H 3.800 . 4.300 2.678 2.608 2.765 . 0 0 "[ . 1 . 2]" 1
1327 2 60 GLU H 2 61 LEU H 3.800 . 4.300 2.678 2.609 2.765 . 0 0 "[ . 1 . 2]" 1
1328 1 60 GLU HA 1 62 ASP H 5.200 . 5.700 4.477 4.369 4.723 . 0 0 "[ . 1 . 2]" 1
1329 2 60 GLU HA 2 62 ASP H 5.200 . 5.700 4.477 4.369 4.722 . 0 0 "[ . 1 . 2]" 1
1330 1 60 GLU H 1 62 ASP H 4.500 . 5.000 4.164 4.045 4.252 . 0 0 "[ . 1 . 2]" 1
1331 2 60 GLU H 2 62 ASP H 4.500 . 5.000 4.164 4.046 4.251 . 0 0 "[ . 1 . 2]" 1
1332 1 61 LEU HA 1 61 LEU QD 3.800 . 4.300 2.269 1.949 3.194 . 0 0 "[ . 1 . 2]" 1
1333 2 61 LEU HA 2 61 LEU QD 3.800 . 4.300 2.269 1.949 3.195 . 0 0 "[ . 1 . 2]" 1
1334 1 61 LEU H 1 61 LEU QD 3.800 . 4.300 2.629 1.792 3.023 0.008 14 0 "[ . 1 . 2]" 1
1335 2 61 LEU H 2 61 LEU QD 3.800 . 4.300 2.629 1.791 3.023 0.009 14 0 "[ . 1 . 2]" 1
1336 1 61 LEU HA 1 61 LEU MD1 4.500 . 5.000 3.449 2.233 3.785 . 0 0 "[ . 1 . 2]" 1
1337 2 61 LEU HA 2 61 LEU MD1 4.500 . 5.000 3.449 2.233 3.785 . 0 0 "[ . 1 . 2]" 1
1338 1 61 LEU HA 1 61 LEU MD2 4.500 . 5.000 2.535 2.025 4.107 . 0 0 "[ . 1 . 2]" 1
1339 2 61 LEU HA 2 61 LEU MD2 4.500 . 5.000 2.535 2.024 4.106 . 0 0 "[ . 1 . 2]" 1
1340 1 61 LEU H 1 61 LEU HG 3.800 . 4.300 2.576 2.069 3.597 . 0 0 "[ . 1 . 2]" 1
1341 2 61 LEU H 2 61 LEU HG 3.800 . 4.300 2.576 2.069 3.597 . 0 0 "[ . 1 . 2]" 1
1342 1 61 LEU QB 1 62 ASP H 4.500 . 5.000 2.719 2.537 3.518 . 0 0 "[ . 1 . 2]" 1
1343 2 61 LEU QB 2 62 ASP H 4.500 . 5.000 2.719 2.536 3.518 . 0 0 "[ . 1 . 2]" 1
1344 1 61 LEU HB3 1 62 ASP H 4.500 . 5.000 3.718 3.564 3.818 . 0 0 "[ . 1 . 2]" 1
1345 2 61 LEU HB3 2 62 ASP H 4.500 . 5.000 3.718 3.564 3.817 . 0 0 "[ . 1 . 2]" 1
1346 1 61 LEU HB2 1 62 ASP H 4.500 . 5.000 2.817 2.583 4.121 . 0 0 "[ . 1 . 2]" 1
1347 2 61 LEU HB2 2 62 ASP H 4.500 . 5.000 2.817 2.583 4.121 . 0 0 "[ . 1 . 2]" 1
1348 1 61 LEU QD 1 62 ASP H 4.500 . 5.000 3.959 2.988 4.151 . 0 0 "[ . 1 . 2]" 1
1349 2 61 LEU QD 2 62 ASP H 4.500 . 5.000 3.959 2.988 4.152 . 0 0 "[ . 1 . 2]" 1
1350 1 61 LEU MD1 1 62 ASP H 5.200 . 5.700 4.419 3.178 4.833 . 0 0 "[ . 1 . 2]" 1
1351 2 61 LEU MD1 2 62 ASP H 5.200 . 5.700 4.419 3.179 4.833 . 0 0 "[ . 1 . 2]" 1
1352 1 61 LEU MD2 1 62 ASP H 5.200 . 5.700 4.572 3.633 4.948 . 0 0 "[ . 1 . 2]" 1
1353 2 61 LEU MD2 2 62 ASP H 5.200 . 5.700 4.572 3.632 4.948 . 0 0 "[ . 1 . 2]" 1
1354 1 61 LEU QD 1 74 TYR HA 4.500 . 5.000 4.652 3.813 5.016 0.016 16 0 "[ . 1 . 2]" 1
1355 2 61 LEU QD 2 74 TYR HA 4.500 . 5.000 4.652 3.813 5.017 0.017 16 0 "[ . 1 . 2]" 1
1356 1 61 LEU QD 1 76 VAL HA 5.200 . 5.700 5.130 4.829 5.714 0.014 16 0 "[ . 1 . 2]" 1
1357 2 61 LEU QD 2 76 VAL HA 5.200 . 5.700 5.130 4.829 5.714 0.014 16 0 "[ . 1 . 2]" 1
1358 1 61 LEU QD 1 76 VAL HB 5.200 . 5.700 3.943 3.450 4.903 . 0 0 "[ . 1 . 2]" 1
1359 2 61 LEU QD 2 76 VAL HB 5.200 . 5.700 3.943 3.449 4.903 . 0 0 "[ . 1 . 2]" 1
1360 1 61 LEU MD1 1 77 LEU HA 4.500 . 5.000 2.950 2.016 4.862 . 0 0 "[ . 1 . 2]" 1
1361 2 61 LEU MD1 2 77 LEU HA 4.500 . 5.000 2.950 2.016 4.862 . 0 0 "[ . 1 . 2]" 1
1362 1 61 LEU MD2 1 77 LEU HA 4.500 . 5.000 2.956 2.008 3.795 . 0 0 "[ . 1 . 2]" 1
1363 2 61 LEU MD2 2 77 LEU HA 4.500 . 5.000 2.956 2.009 3.795 . 0 0 "[ . 1 . 2]" 1
1364 1 61 LEU QD 1 77 LEU QB 4.500 . 5.000 2.402 2.099 2.771 . 0 0 "[ . 1 . 2]" 1
1365 2 61 LEU QD 2 77 LEU QB 4.500 . 5.000 2.402 2.100 2.771 . 0 0 "[ . 1 . 2]" 1
1366 1 61 LEU QD 1 77 LEU HG 4.500 . 5.000 2.567 1.969 3.931 . 0 0 "[ . 1 . 2]" 1
1367 2 61 LEU QD 2 77 LEU HG 4.500 . 5.000 2.568 1.970 3.931 . 0 0 "[ . 1 . 2]" 1
1368 1 61 LEU QD 1 77 LEU H 4.500 . 5.000 3.582 3.053 3.963 . 0 0 "[ . 1 . 2]" 1
1369 2 61 LEU QD 2 77 LEU H 4.500 . 5.000 3.582 3.052 3.963 . 0 0 "[ . 1 . 2]" 1
1370 1 62 ASP H 1 62 ASP HB3 3.800 . 4.300 2.700 2.508 3.661 . 0 0 "[ . 1 . 2]" 1
1371 2 62 ASP H 2 62 ASP HB3 3.800 . 4.300 2.699 2.508 3.661 . 0 0 "[ . 1 . 2]" 1
1372 1 62 ASP H 1 62 ASP HB2 3.800 . 4.300 2.626 2.396 2.708 . 0 0 "[ . 1 . 2]" 1
1373 2 62 ASP H 2 62 ASP HB2 3.800 . 4.300 2.626 2.396 2.708 . 0 0 "[ . 1 . 2]" 1
1374 1 62 ASP HA 1 63 GLU H 3.800 . 4.300 2.209 2.131 2.466 . 0 0 "[ . 1 . 2]" 1
1375 2 62 ASP HA 2 63 GLU H 3.800 . 4.300 2.209 2.132 2.465 . 0 0 "[ . 1 . 2]" 1
1376 1 62 ASP QB 1 64 ASN H 5.200 . 5.700 4.113 3.684 4.365 . 0 0 "[ . 1 . 2]" 1
1377 2 62 ASP QB 2 64 ASN H 5.200 . 5.700 4.113 3.684 4.366 . 0 0 "[ . 1 . 2]" 1
1378 1 62 ASP HA 1 65 GLY H 4.500 . 5.000 4.170 3.418 4.538 . 0 0 "[ . 1 . 2]" 1
1379 2 62 ASP HA 2 65 GLY H 4.500 . 5.000 4.171 3.418 4.539 . 0 0 "[ . 1 . 2]" 1
1380 1 62 ASP HA 1 69 VAL QG 5.200 . 5.700 4.749 4.161 5.711 0.011 20 0 "[ . 1 . 2]" 1
1381 2 62 ASP HA 2 69 VAL QG 5.200 . 5.700 4.749 4.161 5.710 0.010 20 0 "[ . 1 . 2]" 1
1382 1 62 ASP QB 1 69 VAL QG 5.200 . 5.700 3.653 2.627 4.858 . 0 0 "[ . 1 . 2]" 1
1383 2 62 ASP QB 2 69 VAL QG 5.200 . 5.700 3.653 2.626 4.857 . 0 0 "[ . 1 . 2]" 1
1384 1 63 GLU H 1 63 GLU HB3 3.800 . 4.300 3.385 2.559 3.599 . 0 0 "[ . 1 . 2]" 1
1385 2 63 GLU H 2 63 GLU HB3 3.800 . 4.300 3.385 2.559 3.600 . 0 0 "[ . 1 . 2]" 1
1386 1 63 GLU H 1 63 GLU HB2 3.800 . 4.300 2.454 2.427 2.512 . 0 0 "[ . 1 . 2]" 1
1387 2 63 GLU H 2 63 GLU HB2 3.800 . 4.300 2.454 2.427 2.514 . 0 0 "[ . 1 . 2]" 1
1388 1 63 GLU H 1 63 GLU QG 4.500 . 5.000 2.638 2.160 3.954 . 0 0 "[ . 1 . 2]" 1
1389 2 63 GLU H 2 63 GLU QG 4.500 . 5.000 2.638 2.160 3.955 . 0 0 "[ . 1 . 2]" 1
1390 1 63 GLU QB 1 64 ASN QB 4.500 . 5.000 4.499 3.684 4.719 . 0 0 "[ . 1 . 2]" 1
1391 2 63 GLU QB 2 64 ASN QB 4.500 . 5.000 4.498 3.684 4.720 . 0 0 "[ . 1 . 2]" 1
1392 1 63 GLU H 1 64 ASN QB 4.500 . 5.000 4.588 4.523 4.826 . 0 0 "[ . 1 . 2]" 1
1393 2 63 GLU H 2 64 ASN QB 4.500 . 5.000 4.588 4.523 4.827 . 0 0 "[ . 1 . 2]" 1
1394 1 63 GLU QB 1 64 ASN H 4.500 . 5.000 2.673 2.573 2.784 . 0 0 "[ . 1 . 2]" 1
1395 2 63 GLU QB 2 64 ASN H 4.500 . 5.000 2.673 2.574 2.784 . 0 0 "[ . 1 . 2]" 1
1396 1 63 GLU HB3 1 64 ASN H 4.500 . 5.000 3.537 2.617 3.842 . 0 0 "[ . 1 . 2]" 1
1397 2 63 GLU HB3 2 64 ASN H 4.500 . 5.000 3.537 2.617 3.843 . 0 0 "[ . 1 . 2]" 1
1398 1 63 GLU HB2 1 64 ASN H 4.500 . 5.000 2.972 2.702 3.907 . 0 0 "[ . 1 . 2]" 1
1399 2 63 GLU HB2 2 64 ASN H 4.500 . 5.000 2.972 2.699 3.908 . 0 0 "[ . 1 . 2]" 1
1400 1 63 GLU QG 1 64 ASN H 5.200 . 5.700 4.024 3.742 4.407 . 0 0 "[ . 1 . 2]" 1
1401 2 63 GLU QG 2 64 ASN H 5.200 . 5.700 4.024 3.743 4.407 . 0 0 "[ . 1 . 2]" 1
1402 1 63 GLU H 1 64 ASN H 3.800 . 4.300 2.496 2.387 2.640 . 0 0 "[ . 1 . 2]" 1
1403 2 63 GLU H 2 64 ASN H 3.800 . 4.300 2.496 2.388 2.641 . 0 0 "[ . 1 . 2]" 1
1404 1 63 GLU HB3 1 65 GLY H 5.200 . 5.700 5.408 4.802 5.603 . 0 0 "[ . 1 . 2]" 1
1405 2 63 GLU HB3 2 65 GLY H 5.200 . 5.700 5.407 4.801 5.604 . 0 0 "[ . 1 . 2]" 1
1406 1 63 GLU HB2 1 65 GLY H 5.200 . 5.700 5.245 4.965 5.725 0.025 17 0 "[ . 1 . 2]" 1
1407 2 63 GLU HB2 2 65 GLY H 5.200 . 5.700 5.244 4.966 5.727 0.027 17 0 "[ . 1 . 2]" 1
1408 1 63 GLU H 1 65 GLY H 4.500 . 5.000 4.198 3.960 4.394 . 0 0 "[ . 1 . 2]" 1
1409 2 63 GLU H 2 65 GLY H 4.500 . 5.000 4.198 3.958 4.395 . 0 0 "[ . 1 . 2]" 1
1410 1 64 ASN H 1 65 GLY QA 4.500 . 5.000 4.569 4.361 4.633 . 0 0 "[ . 1 . 2]" 1
1411 2 64 ASN H 2 65 GLY QA 4.500 . 5.000 4.569 4.360 4.632 . 0 0 "[ . 1 . 2]" 1
1412 1 64 ASN H 1 65 GLY HA3 5.200 . 5.700 5.273 5.155 5.321 . 0 0 "[ . 1 . 2]" 1
1413 2 64 ASN H 2 65 GLY HA3 5.200 . 5.700 5.272 5.154 5.319 . 0 0 "[ . 1 . 2]" 1
1414 1 64 ASN H 1 65 GLY HA2 5.200 . 5.700 5.009 4.705 5.097 . 0 0 "[ . 1 . 2]" 1
1415 2 64 ASN H 2 65 GLY HA2 5.200 . 5.700 5.008 4.705 5.097 . 0 0 "[ . 1 . 2]" 1
1416 1 64 ASN H 1 65 GLY H 3.800 . 4.300 2.730 2.586 2.817 . 0 0 "[ . 1 . 2]" 1
1417 2 64 ASN H 2 65 GLY H 3.800 . 4.300 2.730 2.586 2.817 . 0 0 "[ . 1 . 2]" 1
1418 1 65 GLY H 1 66 ASP H 3.800 . 4.300 2.348 2.200 2.929 . 0 0 "[ . 1 . 2]" 1
1419 2 65 GLY H 2 66 ASP H 3.800 . 4.300 2.348 2.200 2.930 . 0 0 "[ . 1 . 2]" 1
1420 1 65 GLY QA 1 67 GLY H 4.500 . 5.000 3.584 3.161 3.853 . 0 0 "[ . 1 . 2]" 1
1421 2 65 GLY QA 2 67 GLY H 4.500 . 5.000 3.584 3.161 3.851 . 0 0 "[ . 1 . 2]" 1
1422 1 65 GLY H 1 67 GLY H 4.500 . 5.000 3.931 3.611 5.002 0.002 20 0 "[ . 1 . 2]" 1
1423 2 65 GLY H 2 67 GLY H 4.500 . 5.000 3.931 3.611 5.003 0.003 20 0 "[ . 1 . 2]" 1
1424 1 66 ASP H 1 67 GLY H 3.800 . 4.300 2.720 2.577 3.009 . 0 0 "[ . 1 . 2]" 1
1425 2 66 ASP H 2 67 GLY H 3.800 . 4.300 2.720 2.576 3.009 . 0 0 "[ . 1 . 2]" 1
1426 1 66 ASP H 1 68 GLU H 4.500 . 5.000 4.058 3.502 4.686 . 0 0 "[ . 1 . 2]" 1
1427 2 66 ASP H 2 68 GLU H 4.500 . 5.000 4.058 3.502 4.686 . 0 0 "[ . 1 . 2]" 1
1428 1 67 GLY H 1 68 GLU H 3.800 . 4.300 2.341 2.246 2.804 . 0 0 "[ . 1 . 2]" 1
1429 2 67 GLY H 2 68 GLU H 3.800 . 4.300 2.341 2.245 2.804 . 0 0 "[ . 1 . 2]" 1
1430 1 68 GLU H 1 68 GLU HB3 3.800 . 4.300 3.498 2.572 3.739 . 0 0 "[ . 1 . 2]" 1
1431 2 68 GLU H 2 68 GLU HB3 3.800 . 4.300 3.498 2.572 3.739 . 0 0 "[ . 1 . 2]" 1
1432 1 68 GLU H 1 68 GLU HB2 3.800 . 4.300 2.622 2.531 3.050 . 0 0 "[ . 1 . 2]" 1
1433 2 68 GLU H 2 68 GLU HB2 3.800 . 4.300 2.623 2.530 3.049 . 0 0 "[ . 1 . 2]" 1
1434 1 68 GLU HA 1 69 VAL QG 4.500 . 5.000 3.214 3.022 3.421 . 0 0 "[ . 1 . 2]" 1
1435 2 68 GLU HA 2 69 VAL QG 4.500 . 5.000 3.214 3.021 3.422 . 0 0 "[ . 1 . 2]" 1
1436 1 68 GLU QB 1 69 VAL H 4.500 . 5.000 2.847 2.560 3.604 . 0 0 "[ . 1 . 2]" 1
1437 2 68 GLU QB 2 69 VAL H 4.500 . 5.000 2.847 2.560 3.603 . 0 0 "[ . 1 . 2]" 1
1438 1 68 GLU H 1 69 VAL H 4.500 . 5.000 4.510 4.450 4.542 . 0 0 "[ . 1 . 2]" 1
1439 2 68 GLU H 2 69 VAL H 4.500 . 5.000 4.510 4.450 4.542 . 0 0 "[ . 1 . 2]" 1
1440 1 69 VAL H 1 69 VAL QG 3.800 . 4.300 2.278 1.854 2.585 . 0 0 "[ . 1 . 2]" 1
1441 2 69 VAL H 2 69 VAL QG 3.800 . 4.300 2.278 1.854 2.585 . 0 0 "[ . 1 . 2]" 1
1442 1 69 VAL H 1 69 VAL MG1 4.500 . 5.000 3.427 2.582 3.847 . 0 0 "[ . 1 . 2]" 1
1443 2 69 VAL H 2 69 VAL MG1 4.500 . 5.000 3.427 2.582 3.848 . 0 0 "[ . 1 . 2]" 1
1444 1 69 VAL H 1 69 VAL MG2 4.500 . 5.000 2.316 1.885 2.628 . 0 0 "[ . 1 . 2]" 1
1445 2 69 VAL H 2 69 VAL MG2 4.500 . 5.000 2.316 1.886 2.628 . 0 0 "[ . 1 . 2]" 1
1446 1 69 VAL HA 1 70 ASP H 3.800 . 4.300 2.128 2.079 2.212 . 0 0 "[ . 1 . 2]" 1
1447 2 69 VAL HA 2 70 ASP H 3.800 . 4.300 2.128 2.079 2.212 . 0 0 "[ . 1 . 2]" 1
1448 1 69 VAL MG1 1 70 ASP H 4.500 . 5.000 2.941 2.442 3.860 . 0 0 "[ . 1 . 2]" 1
1449 2 69 VAL MG1 2 70 ASP H 4.500 . 5.000 2.941 2.443 3.859 . 0 0 "[ . 1 . 2]" 1
1450 1 69 VAL MG2 1 70 ASP H 4.500 . 5.000 3.840 3.479 4.012 . 0 0 "[ . 1 . 2]" 1
1451 2 69 VAL MG2 2 70 ASP H 4.500 . 5.000 3.840 3.480 4.012 . 0 0 "[ . 1 . 2]" 1
1452 1 69 VAL QG 1 71 PHE HA 5.200 . 5.700 4.339 4.021 4.893 . 0 0 "[ . 1 . 2]" 1
1453 2 69 VAL QG 2 71 PHE HA 5.200 . 5.700 4.340 4.022 4.894 . 0 0 "[ . 1 . 2]" 1
1454 1 69 VAL HA 1 73 GLU QB 4.500 . 5.000 3.032 2.779 3.366 . 0 0 "[ . 1 . 2]" 1
1455 2 69 VAL HA 2 73 GLU QB 4.500 . 5.000 3.031 2.778 3.366 . 0 0 "[ . 1 . 2]" 1
1456 1 69 VAL QG 1 73 GLU QB 3.800 . 4.300 2.304 1.915 2.921 . 0 0 "[ . 1 . 2]" 1
1457 2 69 VAL QG 2 73 GLU QB 3.800 . 4.300 2.304 1.915 2.921 . 0 0 "[ . 1 . 2]" 1
1458 1 69 VAL HA 1 73 GLU HB3 5.200 . 5.700 3.901 3.515 4.276 . 0 0 "[ . 1 . 2]" 1
1459 2 69 VAL HA 2 73 GLU HB3 5.200 . 5.700 3.901 3.515 4.276 . 0 0 "[ . 1 . 2]" 1
1460 1 69 VAL HA 1 73 GLU HB2 5.200 . 5.700 3.160 2.907 3.522 . 0 0 "[ . 1 . 2]" 1
1461 2 69 VAL HA 2 73 GLU HB2 5.200 . 5.700 3.160 2.908 3.523 . 0 0 "[ . 1 . 2]" 1
1462 1 69 VAL QG 1 73 GLU H 4.500 . 5.000 4.136 3.579 4.783 . 0 0 "[ . 1 . 2]" 1
1463 2 69 VAL QG 2 73 GLU H 4.500 . 5.000 4.136 3.579 4.783 . 0 0 "[ . 1 . 2]" 1
1464 1 69 VAL QG 1 74 TYR HA 3.800 . 4.300 3.261 2.537 3.915 . 0 0 "[ . 1 . 2]" 1
1465 2 69 VAL QG 2 74 TYR HA 3.800 . 4.300 3.261 2.536 3.915 . 0 0 "[ . 1 . 2]" 1
1466 1 69 VAL QG 1 74 TYR HB2 3.800 . 4.300 2.724 2.178 3.254 . 0 0 "[ . 1 . 2]" 1
1467 2 69 VAL QG 2 74 TYR HB2 3.800 . 4.300 2.724 2.177 3.254 . 0 0 "[ . 1 . 2]" 1
1468 1 69 VAL QG 1 74 TYR H 3.800 . 4.300 3.185 2.486 3.944 . 0 0 "[ . 1 . 2]" 1
1469 2 69 VAL QG 2 74 TYR H 3.800 . 4.300 3.185 2.487 3.944 . 0 0 "[ . 1 . 2]" 1
1470 1 69 VAL QG 1 75 VAL H 5.200 . 5.700 5.202 4.588 5.736 0.036 10 0 "[ . 1 . 2]" 1
1471 2 69 VAL QG 2 75 VAL H 5.200 . 5.700 5.201 4.587 5.737 0.037 10 0 "[ . 1 . 2]" 1
1472 1 70 ASP H 1 71 PHE HA 5.200 . 5.700 5.347 5.253 5.400 . 0 0 "[ . 1 . 2]" 1
1473 2 70 ASP H 2 71 PHE HA 5.200 . 5.700 5.348 5.255 5.401 . 0 0 "[ . 1 . 2]" 1
1474 1 70 ASP QB 1 71 PHE H 3.800 . 4.300 2.765 2.228 3.455 . 0 0 "[ . 1 . 2]" 1
1475 2 70 ASP QB 2 71 PHE H 3.800 . 4.300 2.765 2.228 3.456 . 0 0 "[ . 1 . 2]" 1
1476 1 70 ASP HA 1 72 GLN H 4.500 . 5.000 4.371 4.231 4.595 . 0 0 "[ . 1 . 2]" 1
1477 2 70 ASP HA 2 72 GLN H 4.500 . 5.000 4.372 4.232 4.596 . 0 0 "[ . 1 . 2]" 1
1478 1 70 ASP H 1 73 GLU HA 5.200 . 5.700 4.876 4.699 5.123 . 0 0 "[ . 1 . 2]" 1
1479 2 70 ASP H 2 73 GLU HA 5.200 . 5.700 4.876 4.698 5.125 . 0 0 "[ . 1 . 2]" 1
1480 1 70 ASP H 1 73 GLU H 4.500 . 5.000 3.271 3.028 3.520 . 0 0 "[ . 1 . 2]" 1
1481 2 70 ASP H 2 73 GLU H 4.500 . 5.000 3.271 3.030 3.520 . 0 0 "[ . 1 . 2]" 1
1482 1 71 PHE HA 1 71 PHE HD1 4.500 . 5.000 2.764 2.679 2.804 . 0 0 "[ . 1 . 2]" 1
1483 2 71 PHE HA 2 71 PHE HD1 4.500 . 5.000 2.760 2.669 2.802 . 0 0 "[ . 1 . 2]" 1
1484 1 71 PHE HD2 1 72 GLN H 4.500 . 5.000 3.555 3.510 3.655 . 0 0 "[ . 1 . 2]" 1
1485 2 71 PHE HD2 2 72 GLN H 4.500 . 5.000 3.556 3.513 3.657 . 0 0 "[ . 1 . 2]" 1
1486 1 71 PHE H 1 72 GLN H 4.500 . 5.000 2.831 2.780 2.866 . 0 0 "[ . 1 . 2]" 1
1487 2 71 PHE H 2 72 GLN H 4.500 . 5.000 2.831 2.781 2.867 . 0 0 "[ . 1 . 2]" 1
1488 1 71 PHE HA 1 73 GLU H 4.500 . 5.000 4.357 4.257 4.506 . 0 0 "[ . 1 . 2]" 1
1489 2 71 PHE HA 2 73 GLU H 4.500 . 5.000 4.357 4.258 4.505 . 0 0 "[ . 1 . 2]" 1
1490 1 71 PHE HE1 1 74 TYR HE2 4.500 . 5.000 4.735 4.309 5.002 0.002 16 0 "[ . 1 . 2]" 1
1491 2 71 PHE HE1 2 74 TYR HE2 4.500 . 5.000 4.726 4.294 5.002 0.002 16 0 "[ . 1 . 2]" 1
1492 1 71 PHE HA 1 74 TYR H 4.500 . 5.000 3.289 3.140 3.456 . 0 0 "[ . 1 . 2]" 1
1493 2 71 PHE HA 2 74 TYR H 4.500 . 5.000 3.290 3.141 3.457 . 0 0 "[ . 1 . 2]" 1
1494 1 71 PHE HE1 1 75 VAL QG 4.500 . 5.000 4.748 4.092 4.879 . 0 0 "[ . 1 . 2]" 1
1495 1 71 PHE HE2 1 75 VAL QG 4.500 . 5.000 3.154 2.250 3.506 . 0 0 "[ . 1 . 2]" 1
1496 2 71 PHE HE1 2 75 VAL MG2 4.500 . 5.000 4.895 4.127 5.023 0.023 14 0 "[ . 1 . 2]" 1
1497 2 71 PHE HE2 2 75 VAL MG2 4.500 . 5.000 3.344 2.257 3.755 . 0 0 "[ . 1 . 2]" 1
1498 1 72 GLN H 1 72 GLN HB3 3.800 . 4.300 2.624 2.605 2.652 . 0 0 "[ . 1 . 2]" 1
1499 2 72 GLN H 2 72 GLN HB3 3.800 . 4.300 2.624 2.605 2.651 . 0 0 "[ . 1 . 2]" 1
1500 1 72 GLN H 1 72 GLN HB2 3.800 . 4.300 2.471 2.450 2.491 . 0 0 "[ . 1 . 2]" 1
1501 2 72 GLN H 2 72 GLN HB2 3.800 . 4.300 2.470 2.449 2.489 . 0 0 "[ . 1 . 2]" 1
1502 1 72 GLN HA 1 73 GLU HA 4.500 . 5.000 4.750 4.714 4.785 . 0 0 "[ . 1 . 2]" 1
1503 2 72 GLN HA 2 73 GLU HA 4.500 . 5.000 4.750 4.714 4.782 . 0 0 "[ . 1 . 2]" 1
1504 1 72 GLN HG2 1 73 GLU HA 3.800 . 4.300 3.744 3.647 3.838 . 0 0 "[ . 1 . 2]" 1
1505 2 72 GLN HG2 2 73 GLU HA 3.800 . 4.300 3.743 3.647 3.838 . 0 0 "[ . 1 . 2]" 1
1506 1 72 GLN QB 1 73 GLU H 4.500 . 5.000 2.571 2.542 2.614 . 0 0 "[ . 1 . 2]" 1
1507 2 72 GLN QB 2 73 GLU H 4.500 . 5.000 2.571 2.542 2.613 . 0 0 "[ . 1 . 2]" 1
1508 1 72 GLN HG2 1 73 GLU H 4.500 . 5.000 3.846 3.779 3.913 . 0 0 "[ . 1 . 2]" 1
1509 2 72 GLN HG2 2 73 GLU H 4.500 . 5.000 3.846 3.777 3.912 . 0 0 "[ . 1 . 2]" 1
1510 1 72 GLN H 1 73 GLU H 3.800 . 4.300 2.762 2.713 2.829 . 0 0 "[ . 1 . 2]" 1
1511 2 72 GLN H 2 73 GLU H 3.800 . 4.300 2.762 2.712 2.829 . 0 0 "[ . 1 . 2]" 1
1512 1 72 GLN HA 1 75 VAL HB 4.500 . 5.000 3.559 2.549 3.866 . 0 0 "[ . 1 . 2]" 1
1513 2 72 GLN HA 2 75 VAL HB 4.500 . 5.000 3.556 2.548 3.865 . 0 0 "[ . 1 . 2]" 1
1514 1 72 GLN HA 1 75 VAL MG2 4.500 . 5.000 4.616 3.495 4.887 . 0 0 "[ . 1 . 2]" 1
1515 2 72 GLN HA 2 75 VAL MG2 4.500 . 5.000 4.614 3.493 4.886 . 0 0 "[ . 1 . 2]" 1
1516 1 72 GLN HA 1 75 VAL H 4.500 . 5.000 3.625 3.368 3.744 . 0 0 "[ . 1 . 2]" 1
1517 2 72 GLN HA 2 75 VAL H 4.500 . 5.000 3.626 3.367 3.746 . 0 0 "[ . 1 . 2]" 1
1518 1 72 GLN HA 1 76 VAL QG 4.500 . 5.000 3.925 3.837 4.055 . 0 0 "[ . 1 . 2]" 1
1519 1 72 GLN HG3 1 76 VAL QG 3.800 . 4.300 3.853 3.627 3.985 . 0 0 "[ . 1 . 2]" 1
1520 1 72 GLN HG2 1 76 VAL QG 4.500 . 5.000 3.158 2.836 3.290 . 0 0 "[ . 1 . 2]" 1
1521 2 72 GLN HA 2 76 VAL MG1 5.200 . 5.700 4.217 4.086 4.391 . 0 0 "[ . 1 . 2]" 1
1522 1 72 GLN HG3 1 76 VAL MG1 4.500 . 5.000 4.006 3.723 4.183 . 0 0 "[ . 1 . 2]" 1
1523 2 72 GLN HG3 2 76 VAL MG1 4.500 . 5.000 4.006 3.723 4.184 . 0 0 "[ . 1 . 2]" 1
1524 1 72 GLN HG3 1 76 VAL MG2 4.500 . 5.000 5.009 5.004 5.016 0.016 1 0 "[ . 1 . 2]" 1
1525 2 72 GLN HG3 2 76 VAL MG2 4.500 . 5.000 5.009 5.004 5.016 0.016 1 0 "[ . 1 . 2]" 1
1526 1 73 GLU HA 1 76 VAL MG1 4.500 . 5.000 3.690 3.535 3.795 . 0 0 "[ . 1 . 2]" 1
1527 2 73 GLU HA 2 76 VAL MG1 3.800 . 4.300 3.690 3.536 3.797 . 0 0 "[ . 1 . 2]" 1
1528 1 73 GLU HA 1 76 VAL MG2 4.500 . 5.000 2.150 2.091 2.180 . 0 0 "[ . 1 . 2]" 1
1529 2 73 GLU HA 2 76 VAL MG2 4.500 . 5.000 2.150 2.090 2.179 . 0 0 "[ . 1 . 2]" 1
1530 1 73 GLU HA 1 76 VAL H 4.500 . 5.000 3.771 3.557 3.846 . 0 0 "[ . 1 . 2]" 1
1531 2 73 GLU HA 2 76 VAL H 4.500 . 5.000 3.771 3.556 3.845 . 0 0 "[ . 1 . 2]" 1
1532 1 74 TYR H 1 74 TYR HB3 3.800 . 4.300 2.506 2.481 2.535 . 0 0 "[ . 1 . 2]" 1
1533 2 74 TYR H 2 74 TYR HB3 3.800 . 4.300 2.506 2.481 2.535 . 0 0 "[ . 1 . 2]" 1
1534 1 74 TYR HE2 1 75 VAL HA 4.500 . 5.000 4.229 4.123 4.558 . 0 0 "[ . 1 . 2]" 1
1535 2 74 TYR HE2 2 75 VAL HA 4.500 . 5.000 4.231 4.124 4.558 . 0 0 "[ . 1 . 2]" 1
1536 1 74 TYR HB3 1 75 VAL H 3.800 . 4.300 2.528 2.440 2.601 . 0 0 "[ . 1 . 2]" 1
1537 2 74 TYR HB3 2 75 VAL H 3.800 . 4.300 2.527 2.440 2.601 . 0 0 "[ . 1 . 2]" 1
1538 1 74 TYR H 1 75 VAL H 4.500 . 5.000 2.789 2.642 2.840 . 0 0 "[ . 1 . 2]" 1
1539 2 74 TYR H 2 75 VAL H 4.500 . 5.000 2.788 2.642 2.838 . 0 0 "[ . 1 . 2]" 1
1540 1 74 TYR HE2 1 78 VAL MG1 4.500 . 5.000 2.613 2.480 2.833 . 0 0 "[ . 1 . 2]" 1
1541 2 74 TYR HE2 2 78 VAL MG1 4.500 . 5.000 2.613 2.480 2.833 . 0 0 "[ . 1 . 2]" 1
1542 1 75 VAL H 1 75 VAL HB 3.800 . 4.300 2.303 2.081 2.363 . 0 0 "[ . 1 . 2]" 1
1543 2 75 VAL H 2 75 VAL HB 3.800 . 4.300 2.299 2.080 2.360 . 0 0 "[ . 1 . 2]" 1
1544 1 75 VAL H 1 75 VAL MG1 4.500 . 5.000 2.663 2.464 3.555 . 0 0 "[ . 1 . 2]" 1
1545 2 75 VAL H 2 75 VAL MG1 4.500 . 5.000 2.665 2.467 3.556 . 0 0 "[ . 1 . 2]" 1
1546 1 75 VAL H 1 75 VAL MG2 4.500 . 5.000 3.602 2.874 3.742 . 0 0 "[ . 1 . 2]" 1
1547 2 75 VAL H 2 75 VAL MG2 4.500 . 5.000 3.600 2.874 3.740 . 0 0 "[ . 1 . 2]" 1
1548 1 75 VAL HB 1 76 VAL H 4.500 . 5.000 3.663 2.947 3.814 . 0 0 "[ . 1 . 2]" 1
1549 2 75 VAL HB 2 76 VAL H 4.500 . 5.000 3.661 2.948 3.811 . 0 0 "[ . 1 . 2]" 1
1550 1 75 VAL QG 1 76 VAL H 3.800 . 4.300 1.915 1.794 2.622 0.006 10 0 "[ . 1 . 2]" 1
1551 2 75 VAL QG 2 76 VAL H 3.800 . 4.300 1.915 1.794 2.622 0.006 12 0 "[ . 1 . 2]" 1
1552 1 75 VAL MG1 1 76 VAL H 4.500 . 5.000 1.921 1.797 2.650 0.003 10 0 "[ . 1 . 2]" 1
1553 2 75 VAL MG1 2 76 VAL H 3.800 . 4.300 1.921 1.797 2.650 0.003 12 0 "[ . 1 . 2]" 1
1554 1 75 VAL MG2 1 76 VAL H 4.500 . 5.000 3.932 3.857 4.187 . 0 0 "[ . 1 . 2]" 1
1555 2 75 VAL MG2 2 76 VAL H 4.500 . 5.000 3.934 3.859 4.188 . 0 0 "[ . 1 . 2]" 1
1556 1 75 VAL H 1 76 VAL H 4.500 . 5.000 2.758 2.732 2.806 . 0 0 "[ . 1 . 2]" 1
1557 2 75 VAL H 2 76 VAL H 4.500 . 5.000 2.758 2.733 2.808 . 0 0 "[ . 1 . 2]" 1
1558 1 75 VAL MG1 1 77 LEU H 5.200 . 5.700 4.040 3.931 4.567 . 0 0 "[ . 1 . 2]" 1
1559 2 75 VAL MG1 2 77 LEU H 4.500 . 5.000 4.040 3.932 4.567 . 0 0 "[ . 1 . 2]" 1
1560 1 75 VAL MG2 1 77 LEU H 5.200 . 5.700 5.250 5.170 5.498 . 0 0 "[ . 1 . 2]" 1
1561 2 75 VAL MG2 2 77 LEU H 5.200 . 5.700 5.252 5.173 5.498 . 0 0 "[ . 1 . 2]" 1
1562 1 75 VAL HA 1 78 VAL HB 5.200 . 5.700 5.141 5.063 5.278 . 0 0 "[ . 1 . 2]" 1
1563 2 75 VAL HA 2 78 VAL HB 5.200 . 5.700 5.141 5.062 5.275 . 0 0 "[ . 1 . 2]" 1
1564 1 75 VAL HA 1 78 VAL MG1 4.500 . 5.000 3.584 3.430 3.887 . 0 0 "[ . 1 . 2]" 1
1565 2 75 VAL HA 2 78 VAL MG1 4.500 . 5.000 3.584 3.431 3.886 . 0 0 "[ . 1 . 2]" 1
1566 1 75 VAL HA 1 78 VAL MG2 4.500 . 5.000 2.211 2.168 2.313 . 0 0 "[ . 1 . 2]" 1
1567 2 75 VAL HA 2 78 VAL MG2 4.500 . 5.000 2.211 2.169 2.312 . 0 0 "[ . 1 . 2]" 1
1568 1 75 VAL HA 1 78 VAL H 4.500 . 5.000 3.649 3.606 3.729 . 0 0 "[ . 1 . 2]" 1
1569 2 75 VAL HA 2 78 VAL H 4.500 . 5.000 3.648 3.606 3.727 . 0 0 "[ . 1 . 2]" 1
1570 1 75 VAL MG1 1 79 ALA H 5.200 . 5.700 4.867 4.287 5.099 . 0 0 "[ . 1 . 2]" 1
1571 2 75 VAL MG1 2 79 ALA H 5.200 . 5.700 4.867 4.288 5.098 . 0 0 "[ . 1 . 2]" 1
1572 1 75 VAL MG2 1 79 ALA H 5.200 . 5.700 4.603 4.280 5.541 . 0 0 "[ . 1 . 2]" 1
1573 2 75 VAL MG2 2 79 ALA H 5.200 . 5.700 4.608 4.286 5.540 . 0 0 "[ . 1 . 2]" 1
1574 1 76 VAL H 1 76 VAL HB 3.800 . 4.300 3.630 3.617 3.642 . 0 0 "[ . 1 . 2]" 1
1575 2 76 VAL H 2 76 VAL HB 3.800 . 4.300 3.630 3.616 3.644 . 0 0 "[ . 1 . 2]" 1
1576 1 76 VAL H 1 76 VAL MG2 3.800 . 4.300 1.965 1.869 2.023 . 0 0 "[ . 1 . 2]" 1
1577 2 76 VAL H 2 76 VAL MG2 3.800 . 4.300 1.965 1.868 2.024 . 0 0 "[ . 1 . 2]" 1
1578 1 76 VAL HB 1 77 LEU H 4.500 . 5.000 3.875 3.815 3.906 . 0 0 "[ . 1 . 2]" 1
1579 2 76 VAL HB 2 77 LEU H 4.500 . 5.000 3.875 3.815 3.907 . 0 0 "[ . 1 . 2]" 1
1580 1 76 VAL MG1 1 77 LEU H 4.500 . 5.000 3.906 3.875 3.971 . 0 0 "[ . 1 . 2]" 1
1581 2 76 VAL MG1 2 77 LEU H 4.500 . 5.000 3.906 3.875 3.971 . 0 0 "[ . 1 . 2]" 1
1582 1 76 VAL MG2 1 77 LEU H 4.500 . 5.000 2.104 2.049 2.151 . 0 0 "[ . 1 . 2]" 1
1583 2 76 VAL MG2 2 77 LEU H 3.800 . 4.300 2.104 2.049 2.151 . 0 0 "[ . 1 . 2]" 1
1584 1 76 VAL H 1 77 LEU H 3.800 . 4.300 2.424 2.387 2.520 . 0 0 "[ . 1 . 2]" 1
1585 2 76 VAL H 2 77 LEU H 3.800 . 4.300 2.424 2.388 2.519 . 0 0 "[ . 1 . 2]" 1
1586 1 77 LEU HA 1 77 LEU QD 3.800 . 4.300 2.749 2.004 3.001 . 0 0 "[ . 1 . 2]" 1
1587 2 77 LEU HA 2 77 LEU QD 3.800 . 4.300 2.749 2.004 3.002 . 0 0 "[ . 1 . 2]" 1
1588 1 77 LEU H 1 77 LEU QD 3.800 . 4.300 3.720 3.585 3.758 . 0 0 "[ . 1 . 2]" 1
1589 2 77 LEU H 2 77 LEU QD 3.800 . 4.300 3.720 3.585 3.758 . 0 0 "[ . 1 . 2]" 1
1590 1 77 LEU HA 1 77 LEU MD1 4.500 . 5.000 3.175 2.208 3.639 . 0 0 "[ . 1 . 2]" 1
1591 2 77 LEU HA 2 77 LEU MD1 4.500 . 5.000 3.175 2.208 3.640 . 0 0 "[ . 1 . 2]" 1
1592 1 77 LEU H 1 77 LEU MD1 4.500 . 5.000 4.148 3.981 4.228 . 0 0 "[ . 1 . 2]" 1
1593 2 77 LEU H 2 77 LEU MD1 4.500 . 5.000 4.148 3.980 4.228 . 0 0 "[ . 1 . 2]" 1
1594 1 77 LEU HA 1 77 LEU MD2 4.500 . 5.000 3.339 2.024 3.885 . 0 0 "[ . 1 . 2]" 1
1595 2 77 LEU HA 2 77 LEU MD2 4.500 . 5.000 3.339 2.024 3.885 . 0 0 "[ . 1 . 2]" 1
1596 1 77 LEU H 1 77 LEU MD2 4.500 . 5.000 4.207 4.029 4.231 . 0 0 "[ . 1 . 2]" 1
1597 2 77 LEU H 2 77 LEU MD2 4.500 . 5.000 4.207 4.029 4.231 . 0 0 "[ . 1 . 2]" 1
1598 1 77 LEU H 1 77 LEU HG 4.500 . 5.000 4.390 4.348 4.637 . 0 0 "[ . 1 . 2]" 1
1599 2 77 LEU H 2 77 LEU HG 4.500 . 5.000 4.389 4.349 4.637 . 0 0 "[ . 1 . 2]" 1
1600 1 77 LEU HG 1 78 VAL HA 5.200 . 5.700 4.599 3.531 5.310 . 0 0 "[ . 1 . 2]" 1
1601 2 77 LEU HG 2 78 VAL HA 5.200 . 5.700 4.599 3.529 5.311 . 0 0 "[ . 1 . 2]" 1
1602 1 77 LEU HA 1 78 VAL MG1 5.200 . 5.700 4.835 4.733 4.915 . 0 0 "[ . 1 . 2]" 1
1603 2 77 LEU HA 2 78 VAL MG1 5.200 . 5.700 4.835 4.732 4.915 . 0 0 "[ . 1 . 2]" 1
1604 1 77 LEU QB 1 78 VAL MG1 4.500 . 5.000 2.924 2.720 3.079 . 0 0 "[ . 1 . 2]" 1
1605 2 77 LEU QB 2 78 VAL MG1 4.500 . 5.000 2.924 2.720 3.079 . 0 0 "[ . 1 . 2]" 1
1606 1 77 LEU QD 1 78 VAL MG1 4.500 . 5.000 2.691 2.165 3.030 . 0 0 "[ . 1 . 2]" 1
1607 2 77 LEU QD 2 78 VAL MG1 4.500 . 5.000 2.691 2.163 3.029 . 0 0 "[ . 1 . 2]" 1
1608 1 77 LEU H 1 78 VAL MG1 4.500 . 5.000 4.226 4.091 4.405 . 0 0 "[ . 1 . 2]" 1
1609 2 77 LEU H 2 78 VAL MG1 4.500 . 5.000 4.226 4.091 4.406 . 0 0 "[ . 1 . 2]" 1
1610 1 77 LEU HA 1 78 VAL MG2 5.200 . 5.700 5.022 4.886 5.125 . 0 0 "[ . 1 . 2]" 1
1611 2 77 LEU HA 2 78 VAL MG2 5.200 . 5.700 5.022 4.886 5.125 . 0 0 "[ . 1 . 2]" 1
1612 1 77 LEU QD 1 78 VAL MG2 3.800 . 4.300 4.178 3.671 4.345 0.045 14 0 "[ . 1 . 2]" 1
1613 2 77 LEU QD 2 78 VAL MG2 3.800 . 4.300 4.178 3.670 4.345 0.045 14 0 "[ . 1 . 2]" 1
1614 1 77 LEU H 1 78 VAL MG2 4.500 . 5.000 3.889 3.714 4.016 . 0 0 "[ . 1 . 2]" 1
1615 2 77 LEU H 2 78 VAL MG2 4.500 . 5.000 3.889 3.714 4.016 . 0 0 "[ . 1 . 2]" 1
1616 1 77 LEU HB3 1 78 VAL H 4.500 . 5.000 2.528 2.334 2.620 . 0 0 "[ . 1 . 2]" 1
1617 2 77 LEU HB3 2 78 VAL H 4.500 . 5.000 2.528 2.335 2.620 . 0 0 "[ . 1 . 2]" 1
1618 1 77 LEU HB2 1 78 VAL H 4.500 . 5.000 3.812 3.741 3.908 . 0 0 "[ . 1 . 2]" 1
1619 2 77 LEU HB2 2 78 VAL H 4.500 . 5.000 3.812 3.741 3.908 . 0 0 "[ . 1 . 2]" 1
1620 1 77 LEU QD 1 78 VAL H 4.500 . 5.000 3.278 2.637 3.665 . 0 0 "[ . 1 . 2]" 1
1621 2 77 LEU QD 2 78 VAL H 4.500 . 5.000 3.278 2.637 3.665 . 0 0 "[ . 1 . 2]" 1
1622 1 77 LEU HG 1 78 VAL H 4.500 . 5.000 4.357 3.569 4.708 . 0 0 "[ . 1 . 2]" 1
1623 2 77 LEU HG 2 78 VAL H 4.500 . 5.000 4.357 3.569 4.709 . 0 0 "[ . 1 . 2]" 1
1624 1 77 LEU H 1 78 VAL H 3.800 . 4.300 2.762 2.723 2.841 . 0 0 "[ . 1 . 2]" 1
1625 2 77 LEU H 2 78 VAL H 3.800 . 4.300 2.762 2.723 2.840 . 0 0 "[ . 1 . 2]" 1
1626 1 77 LEU QD 1 81 LEU QD 3.800 . 4.300 2.394 2.014 3.193 . 0 0 "[ . 1 . 2]" 1
1627 2 77 LEU QD 2 81 LEU QD 3.800 . 4.300 2.394 2.014 3.193 . 0 0 "[ . 1 . 2]" 1
1628 1 77 LEU HG 1 81 LEU QD 4.500 . 5.000 3.451 2.609 5.008 0.008 13 0 "[ . 1 . 2]" 1
1629 2 77 LEU HG 2 81 LEU QD 4.500 . 5.000 3.451 2.610 5.008 0.008 13 0 "[ . 1 . 2]" 1
1630 1 78 VAL H 1 78 VAL MG1 3.800 . 4.300 2.151 2.011 2.303 . 0 0 "[ . 1 . 2]" 1
1631 2 78 VAL H 2 78 VAL MG1 3.800 . 4.300 2.151 2.011 2.304 . 0 0 "[ . 1 . 2]" 1
1632 1 78 VAL H 1 78 VAL MG2 4.500 . 5.000 1.985 1.800 2.115 . 0 0 "[ . 1 . 2]" 1
1633 2 78 VAL H 2 78 VAL MG2 4.500 . 5.000 1.985 1.800 2.116 0.000 6 0 "[ . 1 . 2]" 1
1634 1 78 VAL MG2 1 79 ALA HA 4.500 . 5.000 3.139 3.058 3.287 . 0 0 "[ . 1 . 2]" 1
1635 2 78 VAL MG2 2 79 ALA HA 4.500 . 5.000 3.139 3.057 3.287 . 0 0 "[ . 1 . 2]" 1
1636 1 78 VAL HB 1 79 ALA H 4.500 . 5.000 3.868 3.749 3.939 . 0 0 "[ . 1 . 2]" 1
1637 2 78 VAL HB 2 79 ALA H 4.500 . 5.000 3.868 3.750 3.940 . 0 0 "[ . 1 . 2]" 1
1638 1 78 VAL MG1 1 79 ALA H 4.500 . 5.000 3.886 3.797 3.969 . 0 0 "[ . 1 . 2]" 1
1639 2 78 VAL MG1 2 79 ALA H 4.500 . 5.000 3.886 3.797 3.969 . 0 0 "[ . 1 . 2]" 1
1640 1 78 VAL MG2 1 79 ALA H 4.500 . 5.000 2.120 2.019 2.197 . 0 0 "[ . 1 . 2]" 1
1641 2 78 VAL MG2 2 79 ALA H 4.500 . 5.000 2.120 2.019 2.197 . 0 0 "[ . 1 . 2]" 1
1642 1 78 VAL H 1 79 ALA H 4.500 . 5.000 2.504 2.465 2.550 . 0 0 "[ . 1 . 2]" 1
1643 2 78 VAL H 2 79 ALA H 4.500 . 5.000 2.503 2.464 2.549 . 0 0 "[ . 1 . 2]" 1
1644 1 78 VAL MG2 1 80 ALA H 4.500 . 5.000 4.367 4.298 4.474 . 0 0 "[ . 1 . 2]" 1
1645 2 78 VAL MG2 2 80 ALA H 4.500 . 5.000 4.367 4.299 4.473 . 0 0 "[ . 1 . 2]" 1
1646 1 78 VAL HA 1 81 LEU QB 5.200 . 5.700 2.912 2.646 3.079 . 0 0 "[ . 1 . 2]" 1
1647 2 78 VAL HA 2 81 LEU QB 5.200 . 5.700 2.911 2.645 3.077 . 0 0 "[ . 1 . 2]" 1
1648 1 78 VAL HA 1 81 LEU QD 3.800 . 4.300 2.608 2.224 3.438 . 0 0 "[ . 1 . 2]" 1
1649 2 78 VAL HA 2 81 LEU QD 3.800 . 4.300 2.608 2.224 3.439 . 0 0 "[ . 1 . 2]" 1
1650 1 78 VAL HA 1 81 LEU MD1 4.500 . 5.000 2.637 2.240 3.633 . 0 0 "[ . 1 . 2]" 1
1651 2 78 VAL HA 2 81 LEU MD1 4.500 . 5.000 2.637 2.240 3.633 . 0 0 "[ . 1 . 2]" 1
1652 1 78 VAL HA 1 81 LEU MD2 4.500 . 5.000 4.298 3.729 4.796 . 0 0 "[ . 1 . 2]" 1
1653 2 78 VAL HA 2 81 LEU MD2 4.500 . 5.000 4.298 3.728 4.796 . 0 0 "[ . 1 . 2]" 1
1654 1 79 ALA MB 1 80 ALA HA 4.500 . 5.000 3.741 3.728 3.755 . 0 0 "[ . 1 . 2]" 1
1655 2 79 ALA MB 2 80 ALA HA 4.500 . 5.000 3.741 3.728 3.755 . 0 0 "[ . 1 . 2]" 1
1656 1 79 ALA MB 1 80 ALA MB 4.500 . 5.000 3.789 3.721 3.890 . 0 0 "[ . 1 . 2]" 1
1657 2 79 ALA MB 2 80 ALA MB 4.500 . 5.000 3.789 3.720 3.889 . 0 0 "[ . 1 . 2]" 1
1658 1 79 ALA H 1 80 ALA MB 4.500 . 5.000 4.409 4.345 4.513 . 0 0 "[ . 1 . 2]" 1
1659 2 79 ALA H 2 80 ALA MB 4.500 . 5.000 4.409 4.345 4.514 . 0 0 "[ . 1 . 2]" 1
1660 1 79 ALA MB 1 80 ALA H 3.800 . 4.300 2.677 2.585 2.774 . 0 0 "[ . 1 . 2]" 1
1661 2 79 ALA MB 2 80 ALA H 3.800 . 4.300 2.676 2.587 2.773 . 0 0 "[ . 1 . 2]" 1
1662 1 79 ALA H 1 80 ALA H 3.800 . 4.300 2.733 2.684 2.836 . 0 0 "[ . 1 . 2]" 1
1663 2 79 ALA H 2 80 ALA H 3.800 . 4.300 2.733 2.683 2.837 . 0 0 "[ . 1 . 2]" 1
1664 1 79 ALA HA 1 82 THR HB 4.500 . 5.000 2.790 2.585 2.953 . 0 0 "[ . 1 . 2]" 1
1665 2 79 ALA HA 2 82 THR HB 4.500 . 5.000 2.790 2.586 2.952 . 0 0 "[ . 1 . 2]" 1
1666 1 79 ALA MB 1 82 THR HB 4.500 . 5.000 3.978 3.786 4.188 . 0 0 "[ . 1 . 2]" 1
1667 2 79 ALA MB 2 82 THR HB 4.500 . 5.000 3.978 3.786 4.188 . 0 0 "[ . 1 . 2]" 1
1668 1 80 ALA MB 1 81 LEU QD 4.500 . 5.000 2.822 2.238 4.495 . 0 0 "[ . 1 . 2]" 1
1669 2 80 ALA MB 2 81 LEU QD 4.500 . 5.000 2.822 2.238 4.495 . 0 0 "[ . 1 . 2]" 1
1670 1 80 ALA MB 1 81 LEU HG 4.500 . 5.000 3.592 3.070 5.066 0.066 13 0 "[ . 1 . 2]" 1
1671 2 80 ALA MB 2 81 LEU HG 4.500 . 5.000 3.592 3.071 5.065 0.065 13 0 "[ . 1 . 2]" 1
1672 1 80 ALA MB 1 81 LEU H 3.800 . 4.300 2.486 2.380 2.548 . 0 0 "[ . 1 . 2]" 1
1673 2 80 ALA MB 2 81 LEU H 3.800 . 4.300 2.486 2.380 2.548 . 0 0 "[ . 1 . 2]" 1
1674 1 80 ALA H 1 81 LEU H 3.800 . 4.300 2.653 2.585 2.714 . 0 0 "[ . 1 . 2]" 1
1675 2 80 ALA H 2 81 LEU H 3.800 . 4.300 2.653 2.586 2.712 . 0 0 "[ . 1 . 2]" 1
1676 1 80 ALA MB 1 82 THR H 4.500 . 5.000 4.396 4.365 4.438 . 0 0 "[ . 1 . 2]" 1
1677 2 80 ALA MB 2 82 THR H 4.500 . 5.000 4.396 4.364 4.439 . 0 0 "[ . 1 . 2]" 1
1678 1 80 ALA H 1 82 THR H 4.500 . 5.000 3.962 3.923 4.024 . 0 0 "[ . 1 . 2]" 1
1679 2 80 ALA H 2 82 THR H 4.500 . 5.000 3.962 3.923 4.023 . 0 0 "[ . 1 . 2]" 1
1680 1 80 ALA HA 1 83 VAL HB 4.500 . 5.000 3.648 3.410 3.819 . 0 0 "[ . 1 . 2]" 1
1681 2 80 ALA HA 2 83 VAL HB 4.500 . 5.000 3.647 3.409 3.815 . 0 0 "[ . 1 . 2]" 1
1682 1 80 ALA HA 1 83 VAL MG2 4.500 . 5.000 2.894 2.637 3.150 . 0 0 "[ . 1 . 2]" 1
1683 2 80 ALA HA 2 83 VAL MG2 4.500 . 5.000 2.895 2.638 3.150 . 0 0 "[ . 1 . 2]" 1
1684 1 80 ALA HA 1 83 VAL H 4.500 . 5.000 3.643 3.536 3.720 . 0 0 "[ . 1 . 2]" 1
1685 2 80 ALA HA 2 83 VAL H 4.500 . 5.000 3.643 3.536 3.721 . 0 0 "[ . 1 . 2]" 1
1686 1 81 LEU HA 1 81 LEU QD 3.800 . 4.300 2.414 2.019 2.908 . 0 0 "[ . 1 . 2]" 1
1687 2 81 LEU HA 2 81 LEU QD 3.800 . 4.300 2.414 2.018 2.908 . 0 0 "[ . 1 . 2]" 1
1688 1 81 LEU H 1 81 LEU QD 3.800 . 4.300 2.488 1.795 3.704 0.005 8 0 "[ . 1 . 2]" 1
1689 2 81 LEU H 2 81 LEU QD 3.800 . 4.300 2.488 1.794 3.703 0.006 5 0 "[ . 1 . 2]" 1
1690 1 81 LEU HA 1 81 LEU MD1 4.500 . 5.000 3.471 3.007 3.775 . 0 0 "[ . 1 . 2]" 1
1691 2 81 LEU HA 2 81 LEU MD1 4.500 . 5.000 3.471 3.008 3.775 . 0 0 "[ . 1 . 2]" 1
1692 1 81 LEU H 1 81 LEU MD1 4.500 . 5.000 2.912 1.797 4.093 0.003 8 0 "[ . 1 . 2]" 1
1693 2 81 LEU H 2 81 LEU MD1 4.500 . 5.000 2.912 1.796 4.092 0.004 5 0 "[ . 1 . 2]" 1
1694 1 81 LEU HA 1 81 LEU MD2 4.500 . 5.000 2.698 2.027 3.599 . 0 0 "[ . 1 . 2]" 1
1695 2 81 LEU HA 2 81 LEU MD2 4.500 . 5.000 2.699 2.026 3.599 . 0 0 "[ . 1 . 2]" 1
1696 1 81 LEU H 1 81 LEU MD2 4.500 . 5.000 3.463 3.009 4.231 . 0 0 "[ . 1 . 2]" 1
1697 2 81 LEU H 2 81 LEU MD2 4.500 . 5.000 3.463 3.010 4.230 . 0 0 "[ . 1 . 2]" 1
1698 1 81 LEU H 1 81 LEU HG 4.500 . 5.000 2.675 2.042 4.220 . 0 0 "[ . 1 . 2]" 1
1699 2 81 LEU H 2 81 LEU HG 4.500 . 5.000 2.675 2.043 4.219 . 0 0 "[ . 1 . 2]" 1
1700 1 81 LEU QB 1 82 THR H 4.500 . 5.000 2.660 2.563 2.744 . 0 0 "[ . 1 . 2]" 1
1701 2 81 LEU QB 2 82 THR H 4.500 . 5.000 2.660 2.563 2.743 . 0 0 "[ . 1 . 2]" 1
1702 1 81 LEU HB3 1 82 THR H 4.500 . 5.000 3.686 2.612 3.802 . 0 0 "[ . 1 . 2]" 1
1703 2 81 LEU HB3 2 82 THR H 4.500 . 5.000 3.687 2.612 3.804 . 0 0 "[ . 1 . 2]" 1
1704 1 81 LEU HB2 1 82 THR H 4.500 . 5.000 2.778 2.655 3.714 . 0 0 "[ . 1 . 2]" 1
1705 2 81 LEU HB2 2 82 THR H 4.500 . 5.000 2.778 2.656 3.713 . 0 0 "[ . 1 . 2]" 1
1706 1 81 LEU HA 1 83 VAL H 5.200 . 5.700 4.051 3.971 4.100 . 0 0 "[ . 1 . 2]" 1
1707 2 81 LEU HA 2 83 VAL H 5.200 . 5.700 4.051 3.970 4.099 . 0 0 "[ . 1 . 2]" 1
1708 1 81 LEU HA 1 84 ALA MB 3.800 . 4.300 2.960 2.824 3.070 . 0 0 "[ . 1 . 2]" 1
1709 2 81 LEU HA 2 84 ALA MB 3.800 . 4.300 2.960 2.824 3.071 . 0 0 "[ . 1 . 2]" 1
1710 1 81 LEU QD 1 84 ALA MB 4.500 . 5.000 3.724 2.918 4.295 . 0 0 "[ . 1 . 2]" 1
1711 2 81 LEU QD 2 84 ALA MB 4.500 . 5.000 3.724 2.917 4.295 . 0 0 "[ . 1 . 2]" 1
1712 1 81 LEU HG 1 84 ALA MB 5.200 . 5.700 4.944 3.353 5.644 . 0 0 "[ . 1 . 2]" 1
1713 2 81 LEU HG 2 84 ALA MB 5.200 . 5.700 4.943 3.352 5.645 . 0 0 "[ . 1 . 2]" 1
1714 1 82 THR H 1 82 THR MG 4.500 . 5.000 3.748 3.742 3.754 . 0 0 "[ . 1 . 2]" 1
1715 2 82 THR H 2 82 THR MG 4.500 . 5.000 3.747 3.743 3.755 . 0 0 "[ . 1 . 2]" 1
1716 1 82 THR MG 1 83 VAL HA 4.500 . 5.000 3.684 3.600 3.816 . 0 0 "[ . 1 . 2]" 1
1717 2 82 THR MG 2 83 VAL HA 4.500 . 5.000 3.684 3.601 3.817 . 0 0 "[ . 1 . 2]" 1
1718 1 82 THR HB 1 83 VAL MG2 4.500 . 5.000 3.265 3.128 3.449 . 0 0 "[ . 1 . 2]" 1
1719 2 82 THR HB 2 83 VAL MG2 4.500 . 5.000 3.265 3.129 3.451 . 0 0 "[ . 1 . 2]" 1
1720 1 82 THR H 1 83 VAL MG2 4.500 . 5.000 4.242 4.181 4.307 . 0 0 "[ . 1 . 2]" 1
1721 2 82 THR H 2 83 VAL MG2 4.500 . 5.000 4.243 4.181 4.308 . 0 0 "[ . 1 . 2]" 1
1722 1 82 THR MG 1 83 VAL H 4.500 . 5.000 3.614 3.560 3.684 . 0 0 "[ . 1 . 2]" 1
1723 2 82 THR MG 2 83 VAL H 4.500 . 5.000 3.614 3.560 3.683 . 0 0 "[ . 1 . 2]" 1
1724 1 82 THR H 1 83 VAL H 4.500 . 5.000 2.765 2.713 2.809 . 0 0 "[ . 1 . 2]" 1
1725 2 82 THR H 2 83 VAL H 4.500 . 5.000 2.765 2.713 2.809 . 0 0 "[ . 1 . 2]" 1
1726 1 82 THR MG 1 85 MET QB 4.500 . 5.000 3.222 2.963 3.527 . 0 0 "[ . 1 . 2]" 1
1727 2 82 THR MG 2 85 MET QB 4.500 . 5.000 3.222 2.963 3.528 . 0 0 "[ . 1 . 2]" 1
1728 1 82 THR HA 1 85 MET HB3 4.500 . 5.000 3.952 3.359 5.008 0.008 13 0 "[ . 1 . 2]" 1
1729 2 82 THR HA 2 85 MET HB3 4.500 . 5.000 3.952 3.358 5.008 0.008 13 0 "[ . 1 . 2]" 1
1730 1 82 THR HA 1 85 MET HB2 4.500 . 5.000 3.491 3.153 3.718 . 0 0 "[ . 1 . 2]" 1
1731 2 82 THR HA 2 85 MET HB2 4.500 . 5.000 3.490 3.153 3.718 . 0 0 "[ . 1 . 2]" 1
1732 1 83 VAL H 1 83 VAL HB 3.800 . 4.300 2.460 2.429 2.494 . 0 0 "[ . 1 . 2]" 1
1733 2 83 VAL H 2 83 VAL HB 3.800 . 4.300 2.458 2.429 2.489 . 0 0 "[ . 1 . 2]" 1
1734 1 83 VAL H 1 83 VAL MG1 4.500 . 5.000 3.742 3.731 3.753 . 0 0 "[ . 1 . 2]" 1
1735 2 83 VAL H 2 83 VAL MG1 4.500 . 5.000 3.741 3.731 3.751 . 0 0 "[ . 1 . 2]" 1
1736 1 83 VAL H 1 83 VAL MG2 3.800 . 4.300 2.165 2.135 2.259 . 0 0 "[ . 1 . 2]" 1
1737 2 83 VAL H 2 83 VAL MG2 3.800 . 4.300 2.166 2.136 2.260 . 0 0 "[ . 1 . 2]" 1
1738 1 83 VAL MG1 1 84 ALA HA 4.500 . 5.000 3.399 3.324 3.435 . 0 0 "[ . 1 . 2]" 1
1739 2 83 VAL MG1 2 84 ALA HA 4.500 . 5.000 3.396 3.321 3.434 . 0 0 "[ . 1 . 2]" 1
1740 1 83 VAL HB 1 84 ALA MB 4.500 . 5.000 4.142 4.043 4.212 . 0 0 "[ . 1 . 2]" 1
1741 2 83 VAL HB 2 84 ALA MB 4.500 . 5.000 4.142 4.043 4.212 . 0 0 "[ . 1 . 2]" 1
1742 1 83 VAL MG1 1 84 ALA MB 4.500 . 5.000 4.157 4.060 4.215 . 0 0 "[ . 1 . 2]" 1
1743 2 83 VAL MG1 2 84 ALA MB 4.500 . 5.000 4.154 4.057 4.213 . 0 0 "[ . 1 . 2]" 1
1744 1 83 VAL HB 1 84 ALA H 3.800 . 4.300 2.795 2.727 2.838 . 0 0 "[ . 1 . 2]" 1
1745 2 83 VAL HB 2 84 ALA H 3.800 . 4.300 2.794 2.727 2.836 . 0 0 "[ . 1 . 2]" 1
1746 1 83 VAL MG1 1 84 ALA H 4.500 . 5.000 3.487 3.419 3.526 . 0 0 "[ . 1 . 2]" 1
1747 2 83 VAL MG1 2 84 ALA H 4.500 . 5.000 3.484 3.418 3.520 . 0 0 "[ . 1 . 2]" 1
1748 1 83 VAL H 1 84 ALA H 3.800 . 4.300 2.691 2.665 2.707 . 0 0 "[ . 1 . 2]" 1
1749 2 83 VAL H 2 84 ALA H 3.800 . 4.300 2.692 2.666 2.708 . 0 0 "[ . 1 . 2]" 1
1750 1 83 VAL HA 1 86 ASN QB 4.500 . 5.000 3.084 2.739 4.080 . 0 0 "[ . 1 . 2]" 1
1751 2 83 VAL HA 2 86 ASN QB 4.500 . 5.000 3.085 2.739 4.081 . 0 0 "[ . 1 . 2]" 1
1752 1 83 VAL MG1 1 86 ASN QD 4.500 . 5.000 3.392 2.332 3.732 . 0 0 "[ . 1 . 2]" 1
1753 2 83 VAL MG1 2 86 ASN QD 4.500 . 5.000 3.393 2.336 3.733 . 0 0 "[ . 1 . 2]" 1
1754 1 83 VAL MG1 1 86 ASN HD21 4.500 . 5.000 3.562 2.374 4.052 . 0 0 "[ . 1 . 2]" 1
1755 2 83 VAL MG1 2 86 ASN HD21 4.500 . 5.000 3.563 2.378 4.053 . 0 0 "[ . 1 . 2]" 1
1756 1 83 VAL MG1 1 86 ASN HD22 4.500 . 5.000 4.673 3.072 5.014 0.014 17 0 "[ . 1 . 2]" 1
1757 2 83 VAL MG1 2 86 ASN HD22 4.500 . 5.000 4.674 3.072 5.013 0.013 15 0 "[ . 1 . 2]" 1
1758 1 83 VAL MG1 1 87 ASN HB2 4.500 . 5.000 4.096 3.621 5.010 0.010 12 0 "[ . 1 . 2]" 1
1759 2 83 VAL MG1 2 87 ASN HB2 4.500 . 5.000 4.095 3.621 5.009 0.009 12 0 "[ . 1 . 2]" 1
1760 1 83 VAL MG1 1 87 ASN H 5.200 . 5.700 4.035 3.819 4.477 . 0 0 "[ . 1 . 2]" 1
1761 2 83 VAL MG1 2 87 ASN H 5.200 . 5.700 4.035 3.819 4.477 . 0 0 "[ . 1 . 2]" 1
1762 1 84 ALA MB 1 85 MET H 3.800 . 4.300 2.626 2.561 2.746 . 0 0 "[ . 1 . 2]" 1
1763 2 84 ALA MB 2 85 MET H 3.800 . 4.300 2.626 2.561 2.746 . 0 0 "[ . 1 . 2]" 1
1764 1 84 ALA H 1 85 MET H 4.500 . 5.000 2.712 2.650 2.768 . 0 0 "[ . 1 . 2]" 1
1765 2 84 ALA H 2 85 MET H 4.500 . 5.000 2.712 2.648 2.768 . 0 0 "[ . 1 . 2]" 1
1766 1 84 ALA HA 1 87 ASN HB3 4.500 . 5.000 3.247 2.745 4.518 . 0 0 "[ . 1 . 2]" 1
1767 2 84 ALA HA 2 87 ASN HB3 4.500 . 5.000 3.247 2.745 4.520 . 0 0 "[ . 1 . 2]" 1
1768 1 84 ALA MB 1 87 ASN HB3 4.500 . 5.000 4.071 3.623 5.010 0.010 14 0 "[ . 1 . 2]" 1
1769 2 84 ALA MB 2 87 ASN HB3 4.500 . 5.000 4.071 3.623 5.011 0.011 14 0 "[ . 1 . 2]" 1
1770 1 84 ALA HA 1 87 ASN H 4.500 . 5.000 3.239 3.014 3.472 . 0 0 "[ . 1 . 2]" 1
1771 2 84 ALA HA 2 87 ASN H 4.500 . 5.000 3.239 3.015 3.472 . 0 0 "[ . 1 . 2]" 1
1772 1 84 ALA MB 1 87 ASN H 5.200 . 5.700 4.422 4.227 4.647 . 0 0 "[ . 1 . 2]" 1
1773 2 84 ALA MB 2 87 ASN H 5.200 . 5.700 4.422 4.227 4.647 . 0 0 "[ . 1 . 2]" 1
1774 1 84 ALA HA 1 88 PHE H 4.500 . 5.000 4.258 4.136 4.333 . 0 0 "[ . 1 . 2]" 1
1775 2 84 ALA HA 2 88 PHE H 4.500 . 5.000 4.258 4.136 4.333 . 0 0 "[ . 1 . 2]" 1
1776 1 85 MET HA 1 85 MET ME 3.800 . 4.300 3.769 2.805 4.327 0.027 9 0 "[ . 1 . 2]" 1
1777 2 85 MET HA 2 85 MET ME 3.800 . 4.300 3.769 2.804 4.325 0.025 9 0 "[ . 1 . 2]" 1
1778 1 85 MET ME 1 85 MET QG 2.800 . 3.300 2.144 2.065 2.295 . 0 0 "[ . 1 . 2]" 1
1779 2 85 MET ME 2 85 MET QG 2.800 . 3.300 2.144 2.066 2.294 . 0 0 "[ . 1 . 2]" 1
1780 1 85 MET ME 1 85 MET HG3 3.800 . 4.300 2.634 2.165 3.298 . 0 0 "[ . 1 . 2]" 1
1781 2 85 MET ME 2 85 MET HG3 3.800 . 4.300 2.634 2.166 3.298 . 0 0 "[ . 1 . 2]" 1
1782 1 85 MET ME 1 85 MET HG2 3.800 . 4.300 2.560 2.120 3.351 . 0 0 "[ . 1 . 2]" 1
1783 2 85 MET ME 2 85 MET HG2 3.800 . 4.300 2.560 2.119 3.350 . 0 0 "[ . 1 . 2]" 1
1784 1 85 MET HA 1 85 MET QG 3.800 . 4.300 2.551 2.287 2.810 . 0 0 "[ . 1 . 2]" 1
1785 2 85 MET HA 2 85 MET QG 3.800 . 4.300 2.551 2.286 2.810 . 0 0 "[ . 1 . 2]" 1
1786 1 85 MET ME 1 86 ASN HA 4.500 . 5.000 4.406 3.420 5.023 0.023 15 0 "[ . 1 . 2]" 1
1787 2 85 MET ME 2 86 ASN HA 4.500 . 5.000 4.406 3.420 5.022 0.022 18 0 "[ . 1 . 2]" 1
1788 1 85 MET QB 1 86 ASN H 4.500 . 5.000 2.608 2.474 2.669 . 0 0 "[ . 1 . 2]" 1
1789 2 85 MET QB 2 86 ASN H 4.500 . 5.000 2.607 2.474 2.670 . 0 0 "[ . 1 . 2]" 1
1790 1 85 MET HA 1 88 PHE QB 4.500 . 5.000 2.527 2.282 2.836 . 0 0 "[ . 1 . 2]" 1
1791 2 85 MET HA 2 88 PHE QB 4.500 . 5.000 2.527 2.283 2.836 . 0 0 "[ . 1 . 2]" 1
1792 1 85 MET ME 1 88 PHE QB 4.500 . 5.000 3.921 2.785 5.013 0.013 6 0 "[ . 1 . 2]" 1
1793 2 85 MET ME 2 88 PHE QB 4.500 . 5.000 3.921 2.784 5.013 0.013 6 0 "[ . 1 . 2]" 1
1794 1 85 MET HA 1 88 PHE HB3 4.500 . 5.000 3.136 2.439 4.449 . 0 0 "[ . 1 . 2]" 1
1795 2 85 MET HA 2 88 PHE HB3 4.500 . 5.000 3.136 2.439 4.451 . 0 0 "[ . 1 . 2]" 1
1796 1 85 MET HA 1 88 PHE HB2 4.500 . 5.000 2.986 2.624 3.679 . 0 0 "[ . 1 . 2]" 1
1797 2 85 MET HA 2 88 PHE HB2 4.500 . 5.000 2.987 2.624 3.681 . 0 0 "[ . 1 . 2]" 1
1798 1 85 MET ME 1 89 PHE HA 5.200 . 5.700 4.443 3.475 5.378 . 0 0 "[ . 1 . 2]" 1
1799 2 85 MET ME 2 89 PHE HA 5.200 . 5.700 4.443 3.478 5.378 . 0 0 "[ . 1 . 2]" 1
1800 1 85 MET ME 1 89 PHE QB 4.500 . 5.000 3.481 2.490 4.458 . 0 0 "[ . 1 . 2]" 1
1801 2 85 MET ME 2 89 PHE QB 4.500 . 5.000 3.482 2.491 4.458 . 0 0 "[ . 1 . 2]" 1
1802 1 85 MET ME 1 89 PHE HD1 4.500 . 5.000 3.415 2.732 3.741 . 0 0 "[ . 1 . 2]" 1
1803 2 85 MET ME 2 89 PHE HD1 4.500 . 5.000 3.415 2.731 3.741 . 0 0 "[ . 1 . 2]" 1
1804 1 85 MET ME 1 89 PHE HE1 4.500 . 5.000 4.806 1.966 5.024 0.024 17 0 "[ . 1 . 2]" 1
1805 2 85 MET ME 2 89 PHE HE1 4.500 . 5.000 4.806 1.966 5.023 0.023 17 0 "[ . 1 . 2]" 1
1806 1 86 ASN QD 1 87 ASN HB2 4.500 . 5.000 4.873 4.273 5.047 0.047 7 0 "[ . 1 . 2]" 1
1807 2 86 ASN QD 2 87 ASN HB2 4.500 . 5.000 4.873 4.273 5.047 0.047 7 0 "[ . 1 . 2]" 1
1808 1 86 ASN QB 1 87 ASN H 3.800 . 4.300 2.552 2.287 3.456 . 0 0 "[ . 1 . 2]" 1
1809 2 86 ASN QB 2 87 ASN H 3.800 . 4.300 2.552 2.288 3.456 . 0 0 "[ . 1 . 2]" 1
1810 1 86 ASN HB3 1 87 ASN H 4.500 . 5.000 2.749 2.438 3.833 . 0 0 "[ . 1 . 2]" 1
1811 2 86 ASN HB3 2 87 ASN H 4.500 . 5.000 2.749 2.436 3.834 . 0 0 "[ . 1 . 2]" 1
1812 1 86 ASN HB2 1 87 ASN H 4.500 . 5.000 3.616 2.315 3.929 . 0 0 "[ . 1 . 2]" 1
1813 2 86 ASN HB2 2 87 ASN H 4.500 . 5.000 3.616 2.315 3.929 . 0 0 "[ . 1 . 2]" 1
1814 1 86 ASN H 1 87 ASN H 4.500 . 5.000 2.683 2.586 2.783 . 0 0 "[ . 1 . 2]" 1
1815 2 86 ASN H 2 87 ASN H 4.500 . 5.000 2.683 2.585 2.783 . 0 0 "[ . 1 . 2]" 1
1816 1 86 ASN HA 1 89 PHE QB 4.500 . 5.000 2.645 2.314 2.895 . 0 0 "[ . 1 . 2]" 1
1817 2 86 ASN HA 2 89 PHE QB 4.500 . 5.000 2.645 2.314 2.894 . 0 0 "[ . 1 . 2]" 1
1818 1 87 ASN H 1 87 ASN HB3 3.800 . 4.300 2.774 2.574 3.563 . 0 0 "[ . 1 . 2]" 1
1819 2 87 ASN H 2 87 ASN HB3 3.800 . 4.300 2.774 2.573 3.565 . 0 0 "[ . 1 . 2]" 1
1820 1 87 ASN H 1 87 ASN HB2 3.800 . 4.300 2.419 2.302 2.482 . 0 0 "[ . 1 . 2]" 1
1821 2 87 ASN H 2 87 ASN HB2 3.800 . 4.300 2.419 2.302 2.481 . 0 0 "[ . 1 . 2]" 1
1822 1 87 ASN H 1 88 PHE H 4.500 . 5.000 2.651 2.554 2.755 . 0 0 "[ . 1 . 2]" 1
1823 2 87 ASN H 2 88 PHE H 4.500 . 5.000 2.652 2.555 2.754 . 0 0 "[ . 1 . 2]" 1
1824 1 88 PHE H 1 88 PHE HB3 3.800 . 4.300 2.899 2.565 3.628 . 0 0 "[ . 1 . 2]" 1
1825 2 88 PHE H 2 88 PHE HB3 3.800 . 4.300 2.899 2.564 3.630 . 0 0 "[ . 1 . 2]" 1
1826 1 88 PHE H 1 88 PHE HB2 3.800 . 4.300 2.466 2.398 2.520 . 0 0 "[ . 1 . 2]" 1
1827 2 88 PHE H 2 88 PHE HB2 3.800 . 4.300 2.466 2.397 2.520 . 0 0 "[ . 1 . 2]" 1
1828 1 88 PHE HA 1 88 PHE HD1 3.800 . 4.300 2.749 2.533 2.825 . 0 0 "[ . 1 . 2]" 1
1829 2 88 PHE HA 2 88 PHE HD1 3.800 . 4.300 2.749 2.535 2.826 . 0 0 "[ . 1 . 2]" 1
1830 1 88 PHE QB 1 88 PHE HE1 4.500 . 5.000 4.473 4.460 4.504 . 0 0 "[ . 1 . 2]" 1
1831 2 88 PHE QB 2 88 PHE HE1 4.500 . 5.000 4.473 4.461 4.505 . 0 0 "[ . 1 . 2]" 1
1832 1 89 PHE H 1 89 PHE HB3 3.800 . 4.300 2.699 2.572 3.546 . 0 0 "[ . 1 . 2]" 1
1833 2 89 PHE H 2 89 PHE HB3 3.800 . 4.300 2.699 2.573 3.547 . 0 0 "[ . 1 . 2]" 1
1834 1 89 PHE H 1 89 PHE HB2 3.800 . 4.300 2.378 2.254 2.446 . 0 0 "[ . 1 . 2]" 1
1835 2 89 PHE H 2 89 PHE HB2 3.800 . 4.300 2.378 2.254 2.447 . 0 0 "[ . 1 . 2]" 1
1836 1 89 PHE HA 1 89 PHE HD1 3.800 . 4.300 2.792 2.216 2.893 . 0 0 "[ . 1 . 2]" 1
1837 2 89 PHE HA 2 89 PHE HD1 3.800 . 4.300 2.792 2.216 2.891 . 0 0 "[ . 1 . 2]" 1
1838 1 89 PHE H 1 89 PHE HD1 4.500 . 5.000 4.345 2.455 4.536 . 0 0 "[ . 1 . 2]" 1
1839 2 89 PHE H 2 89 PHE HD1 4.500 . 5.000 4.345 2.455 4.537 . 0 0 "[ . 1 . 2]" 1
1840 1 90 TRP HA 1 90 TRP HD1 4.500 . 5.000 4.304 4.280 4.323 . 0 0 "[ . 1 . 2]" 1
1841 2 90 TRP HA 2 90 TRP HD1 4.500 . 5.000 4.304 4.277 4.323 . 0 0 "[ . 1 . 2]" 1
1842 1 90 TRP H 1 90 TRP HD1 5.200 . 5.700 5.086 5.072 5.114 . 0 0 "[ . 1 . 2]" 1
1843 2 90 TRP H 2 90 TRP HD1 5.200 . 5.700 5.086 5.072 5.115 . 0 0 "[ . 1 . 2]" 1
1844 1 90 TRP HA 1 90 TRP HE3 4.500 . 5.000 2.662 2.611 2.733 . 0 0 "[ . 1 . 2]" 1
1845 2 90 TRP HA 2 90 TRP HE3 4.500 . 5.000 2.662 2.612 2.732 . 0 0 "[ . 1 . 2]" 1
1846 1 90 TRP HD1 1 91 GLU HA 3.800 . 4.300 3.745 3.664 3.822 . 0 0 "[ . 1 . 2]" 1
1847 2 90 TRP HD1 2 91 GLU HA 3.800 . 4.300 3.745 3.663 3.821 . 0 0 "[ . 1 . 2]" 1
1848 1 90 TRP QB 1 91 GLU H 3.800 . 4.300 2.708 2.682 2.818 . 0 0 "[ . 1 . 2]" 1
1849 2 90 TRP QB 2 91 GLU H 3.800 . 4.300 2.708 2.682 2.818 . 0 0 "[ . 1 . 2]" 1
1850 1 90 TRP HD1 1 91 GLU H 4.500 . 5.000 4.201 4.145 4.319 . 0 0 "[ . 1 . 2]" 1
1851 2 90 TRP HD1 2 91 GLU H 4.500 . 5.000 4.200 4.142 4.318 . 0 0 "[ . 1 . 2]" 1
1852 1 92 ASN HA 1 92 ASN HD21 3.800 . 4.300 2.595 1.957 4.303 0.003 18 0 "[ . 1 . 2]" 1
1853 2 92 ASN HA 2 92 ASN HD21 3.800 . 4.300 2.596 1.957 4.303 0.003 18 0 "[ . 1 . 2]" 1
1854 1 92 ASN HA 1 92 ASN HD22 3.800 . 4.300 3.723 3.443 4.373 0.073 18 0 "[ . 1 . 2]" 1
1855 2 92 ASN HA 2 92 ASN HD22 3.800 . 4.300 3.723 3.444 4.373 0.073 18 0 "[ . 1 . 2]" 1
1856 1 92 ASN HA 1 93 SER HA 4.500 . 5.000 4.426 4.373 4.564 . 0 0 "[ . 1 . 2]" 1
1857 2 92 ASN HA 2 93 SER HA 4.500 . 5.000 4.426 4.373 4.564 . 0 0 "[ . 1 . 2]" 1
1858 1 92 ASN QB 1 93 SER HA 4.500 . 5.000 4.505 3.976 5.026 0.026 1 0 "[ . 1 . 2]" 1
1859 2 92 ASN QB 2 93 SER HA 4.500 . 5.000 4.505 3.975 5.027 0.027 1 0 "[ . 1 . 2]" 1
1860 1 92 ASN HA 1 93 SER QB 4.500 . 5.000 4.326 3.983 4.888 . 0 0 "[ . 1 . 2]" 1
1861 2 92 ASN HA 2 93 SER QB 4.500 . 5.000 4.326 3.981 4.887 . 0 0 "[ . 1 . 2]" 1
1862 1 92 ASN HA 1 93 SER H 3.800 . 4.300 2.306 2.136 3.518 . 0 0 "[ . 1 . 2]" 1
1863 2 92 ASN HA 2 93 SER H 3.800 . 4.300 2.306 2.138 3.517 . 0 0 "[ . 1 . 2]" 1
1864 1 92 ASN QB 1 93 SER H 4.500 . 5.000 3.260 2.694 3.836 . 0 0 "[ . 1 . 2]" 1
1865 2 92 ASN QB 2 93 SER H 4.500 . 5.000 3.260 2.694 3.836 . 0 0 "[ . 1 . 2]" 1
1866 1 8 MET H 1 11 LEU QD 5.200 . 5.700 5.060 4.698 5.271 . 0 0 "[ . 1 . 2]" 1
1867 2 8 MET H 2 11 LEU QD 5.200 . 5.700 5.060 4.700 5.270 . 0 0 "[ . 1 . 2]" 1
1868 1 8 MET H 1 11 LEU MD1 5.200 . 5.700 5.413 4.944 5.643 . 0 0 "[ . 1 . 2]" 1
1869 2 8 MET H 2 11 LEU MD1 5.200 . 5.700 5.413 4.946 5.642 . 0 0 "[ . 1 . 2]" 1
1870 1 10 THR MG 1 11 LEU QD 4.500 . 5.000 3.345 3.168 4.409 . 0 0 "[ . 1 . 2]" 1
1871 2 10 THR MG 2 11 LEU QD 4.500 . 5.000 3.344 3.169 4.409 . 0 0 "[ . 1 . 2]" 1
1872 1 10 THR MG 1 11 LEU MD2 4.500 . 5.000 3.381 3.192 4.581 . 0 0 "[ . 1 . 2]" 1
1873 2 10 THR MG 2 11 LEU MD2 4.500 . 5.000 3.380 3.193 4.580 . 0 0 "[ . 1 . 2]" 1
1874 1 10 THR H 1 11 LEU QD 4.500 . 5.000 4.553 4.394 4.644 . 0 0 "[ . 1 . 2]" 1
1875 2 10 THR H 2 11 LEU QD 4.500 . 5.000 4.553 4.395 4.644 . 0 0 "[ . 1 . 2]" 1
1876 1 10 THR H 1 11 LEU MD2 4.500 . 5.000 4.853 4.686 4.965 . 0 0 "[ . 1 . 2]" 1
1877 2 10 THR H 2 11 LEU MD2 4.500 . 5.000 4.853 4.686 4.965 . 0 0 "[ . 1 . 2]" 1
1878 1 11 LEU HA 1 11 LEU QD 3.800 . 4.300 2.023 2.016 2.031 . 0 0 "[ . 1 . 2]" 1
1879 2 11 LEU HA 2 11 LEU QD 3.800 . 4.300 2.024 2.017 2.036 . 0 0 "[ . 1 . 2]" 1
1880 1 11 LEU HA 1 11 LEU MD2 3.800 . 4.300 2.031 2.024 2.039 . 0 0 "[ . 1 . 2]" 1
1881 2 11 LEU HA 2 11 LEU MD2 3.800 . 4.300 2.032 2.025 2.045 . 0 0 "[ . 1 . 2]" 1
1882 1 11 LEU QD 1 75 VAL HA 4.500 . 5.000 3.389 3.051 3.510 . 0 0 "[ . 1 . 2]" 1
1883 2 11 LEU QD 2 75 VAL HA 4.500 . 5.000 3.390 3.052 3.512 . 0 0 "[ . 1 . 2]" 1
1884 1 11 LEU QD 1 75 VAL QG 3.800 . 4.300 2.473 2.082 2.618 . 0 0 "[ . 1 . 2]" 1
1885 2 11 LEU QD 2 75 VAL QG 3.800 . 4.300 2.473 2.083 2.618 . 0 0 "[ . 1 . 2]" 1
1886 1 11 LEU QD 1 78 VAL MG1 4.500 . 5.000 3.339 3.083 3.528 . 0 0 "[ . 1 . 2]" 1
1887 2 11 LEU QD 2 78 VAL MG1 4.500 . 5.000 3.339 3.083 3.528 . 0 0 "[ . 1 . 2]" 1
1888 1 11 LEU QD 1 78 VAL MG2 3.800 . 4.300 2.425 2.291 2.538 . 0 0 "[ . 1 . 2]" 1
1889 2 11 LEU QD 2 78 VAL MG2 3.800 . 4.300 2.425 2.291 2.538 . 0 0 "[ . 1 . 2]" 1
1890 1 11 LEU QD 1 12 ILE H 4.500 . 5.000 4.004 3.982 4.027 . 0 0 "[ . 1 . 2]" 1
1891 2 11 LEU QD 2 12 ILE H 4.500 . 5.000 4.004 3.983 4.027 . 0 0 "[ . 1 . 2]" 1
1892 1 11 LEU MD1 1 78 VAL MG1 4.500 . 5.000 4.083 3.888 4.258 . 0 0 "[ . 1 . 2]" 1
1893 2 11 LEU MD1 2 78 VAL MG1 4.500 . 5.000 4.083 3.889 4.257 . 0 0 "[ . 1 . 2]" 1
1894 1 11 LEU MD1 1 75 VAL MG2 3.800 . 4.300 2.503 2.096 2.682 . 0 0 "[ . 1 . 2]" 1
1895 2 11 LEU MD1 2 75 VAL MG2 3.800 . 4.300 2.503 2.097 2.682 . 0 0 "[ . 1 . 2]" 1
1896 1 11 LEU MD2 1 78 VAL MG2 3.800 . 4.300 2.976 2.561 3.170 . 0 0 "[ . 1 . 2]" 1
1897 2 11 LEU MD2 2 78 VAL MG2 3.800 . 4.300 2.977 2.561 3.170 . 0 0 "[ . 1 . 2]" 1
1898 1 11 LEU MD2 1 12 ILE H 4.500 . 5.000 4.470 4.441 4.484 . 0 0 "[ . 1 . 2]" 1
1899 2 11 LEU MD2 2 12 ILE H 4.500 . 5.000 4.470 4.447 4.484 . 0 0 "[ . 1 . 2]" 1
1900 1 11 LEU HG 1 75 VAL QG 4.500 . 5.000 4.866 4.523 4.943 . 0 0 "[ . 1 . 2]" 1
1901 2 11 LEU HG 2 75 VAL QG 4.500 . 5.000 4.865 4.522 4.943 . 0 0 "[ . 1 . 2]" 1
1902 1 11 LEU HG 1 75 VAL MG2 4.500 . 5.000 4.940 4.570 5.018 0.018 13 0 "[ . 1 . 2]" 1
1903 2 11 LEU HG 2 75 VAL MG2 4.500 . 5.000 4.938 4.570 5.019 0.019 13 0 "[ . 1 . 2]" 1
1904 1 17 ALA HA 1 21 LYS QB 4.500 . 5.000 4.778 4.611 4.801 . 0 0 "[ . 1 . 2]" 1
1905 2 17 ALA HA 2 21 LYS QB 4.500 . 5.000 4.779 4.611 4.802 . 0 0 "[ . 1 . 2]" 1
1906 1 17 ALA HA 1 21 LYS HB2 4.500 . 5.000 5.001 4.862 5.014 0.014 18 0 "[ . 1 . 2]" 1
1907 2 17 ALA HA 2 21 LYS HB2 4.500 . 5.000 5.001 4.862 5.014 0.014 18 0 "[ . 1 . 2]" 1
1908 1 17 ALA MB 1 21 LYS HB2 4.500 . 5.000 4.589 4.425 4.714 . 0 0 "[ . 1 . 2]" 1
1909 2 17 ALA MB 2 21 LYS HB2 4.500 . 5.000 4.589 4.427 4.722 . 0 0 "[ . 1 . 2]" 1
1910 1 21 LYS QB 1 22 GLU QG 4.500 . 5.000 2.703 2.632 2.765 . 0 0 "[ . 1 . 2]" 1
1911 2 21 LYS QB 2 22 GLU QG 4.500 . 5.000 2.702 2.633 2.765 . 0 0 "[ . 1 . 2]" 1
1912 1 21 LYS QB 1 22 GLU H 3.800 . 4.300 2.574 2.520 2.635 . 0 0 "[ . 1 . 2]" 1
1913 2 21 LYS QB 2 22 GLU H 3.800 . 4.300 2.574 2.520 2.635 . 0 0 "[ . 1 . 2]" 1
1914 1 21 LYS HB3 1 22 GLU H 3.800 . 4.300 2.612 2.554 2.676 . 0 0 "[ . 1 . 2]" 1
1915 2 21 LYS HB3 2 22 GLU H 3.800 . 4.300 2.612 2.554 2.676 . 0 0 "[ . 1 . 2]" 1
1916 1 21 LYS HB2 1 22 GLU QG 4.500 . 5.000 4.191 4.135 4.252 . 0 0 "[ . 1 . 2]" 1
1917 2 21 LYS HB2 2 22 GLU QG 4.500 . 5.000 4.190 4.136 4.253 . 0 0 "[ . 1 . 2]" 1
1918 1 30 LYS QB 1 58 MET QG 4.500 . 5.000 4.395 3.844 4.868 . 0 0 "[ . 1 . 2]" 1
1919 2 30 LYS QB 2 58 MET QG 4.500 . 5.000 4.395 3.844 4.868 . 0 0 "[ . 1 . 2]" 1
1920 1 30 LYS QB 1 58 MET HG3 4.500 . 5.000 4.575 3.945 5.017 0.017 20 0 "[ . 1 . 2]" 1
1921 2 30 LYS QB 2 58 MET HG3 4.500 . 5.000 4.574 3.945 5.017 0.017 20 0 "[ . 1 . 2]" 1
1922 1 30 LYS QD 1 58 MET QG 4.500 . 5.000 3.032 2.231 4.065 . 0 0 "[ . 1 . 2]" 1
1923 2 30 LYS QD 2 58 MET QG 4.500 . 5.000 3.032 2.230 4.064 . 0 0 "[ . 1 . 2]" 1
1924 1 30 LYS QD 1 58 MET HG3 4.500 . 5.000 3.114 2.249 4.411 . 0 0 "[ . 1 . 2]" 1
1925 2 30 LYS QD 2 58 MET HG3 4.500 . 5.000 3.114 2.248 4.410 . 0 0 "[ . 1 . 2]" 1
1926 1 30 LYS HD3 1 58 MET HG3 5.200 . 5.700 4.068 2.398 5.720 0.020 4 0 "[ . 1 . 2]" 1
1927 2 30 LYS HD3 2 58 MET HG3 5.200 . 5.700 4.069 2.400 5.721 0.021 4 0 "[ . 1 . 2]" 1
1928 1 30 LYS HD2 1 58 MET HG3 5.200 . 5.700 3.540 2.270 4.773 . 0 0 "[ . 1 . 2]" 1
1929 2 30 LYS HD2 2 58 MET HG3 5.200 . 5.700 3.540 2.269 4.774 . 0 0 "[ . 1 . 2]" 1
1930 1 30 LYS QE 1 58 MET QG 4.500 . 5.000 2.466 1.966 3.551 . 0 0 "[ . 1 . 2]" 1
1931 2 30 LYS QE 2 58 MET QG 4.500 . 5.000 2.466 1.966 3.551 . 0 0 "[ . 1 . 2]" 1
1932 1 30 LYS HE3 1 58 MET HG2 5.200 . 5.700 3.987 2.543 5.705 0.005 4 0 "[ . 1 . 2]" 1
1933 2 30 LYS HE3 2 58 MET HG2 5.200 . 5.700 3.988 2.544 5.706 0.006 4 0 "[ . 1 . 2]" 1
1934 1 30 LYS HE2 1 58 MET HG2 5.200 . 5.700 4.273 2.776 5.724 0.024 5 0 "[ . 1 . 2]" 1
1935 2 30 LYS HE2 2 58 MET HG2 5.200 . 5.700 4.274 2.777 5.726 0.026 5 0 "[ . 1 . 2]" 1
1936 1 31 LYS HA 1 31 LYS QG 3.800 . 4.300 2.518 2.349 2.777 . 0 0 "[ . 1 . 2]" 1
1937 2 31 LYS HA 2 31 LYS QG 3.800 . 4.300 2.518 2.349 2.777 . 0 0 "[ . 1 . 2]" 1
1938 1 31 LYS QG 1 35 GLU QB 4.500 . 5.000 3.972 3.668 4.518 . 0 0 "[ . 1 . 2]" 1
1939 2 31 LYS QG 2 35 GLU QB 4.500 . 5.000 3.972 3.668 4.518 . 0 0 "[ . 1 . 2]" 1
1940 1 31 LYS HG3 1 35 GLU QB 4.500 . 5.000 4.695 4.034 5.017 0.017 19 0 "[ . 1 . 2]" 1
1941 2 31 LYS HG3 2 35 GLU QB 4.500 . 5.000 4.694 4.034 5.015 0.015 19 0 "[ . 1 . 2]" 1
1942 1 31 LYS H 1 31 LYS HG2 5.200 . 5.700 4.553 4.469 4.666 . 0 0 "[ . 1 . 2]" 1
1943 2 31 LYS H 2 31 LYS HG2 5.200 . 5.700 4.553 4.469 4.667 . 0 0 "[ . 1 . 2]" 1
1944 1 33 LEU QD 1 58 MET QG 5.200 . 5.700 3.385 1.973 4.064 . 0 0 "[ . 1 . 2]" 1
1945 2 33 LEU QD 2 58 MET QG 5.200 . 5.700 3.385 1.972 4.064 . 0 0 "[ . 1 . 2]" 1
1946 1 33 LEU QD 1 58 MET HG3 5.200 . 5.700 3.634 2.071 4.510 . 0 0 "[ . 1 . 2]" 1
1947 2 33 LEU QD 2 58 MET HG3 5.200 . 5.700 3.635 2.071 4.509 . 0 0 "[ . 1 . 2]" 1
1948 1 36 LEU QD 1 37 LEU QD 4.500 . 5.000 2.553 1.850 3.770 . 0 0 "[ . 1 . 2]" 1
1949 2 36 LEU QD 2 37 LEU QD 4.500 . 5.000 2.553 1.850 3.770 . 0 0 "[ . 1 . 2]" 1
1950 1 36 LEU QD 1 37 LEU MD2 4.500 . 5.000 2.684 1.857 4.848 . 0 0 "[ . 1 . 2]" 1
1951 2 36 LEU QD 2 37 LEU MD2 4.500 . 5.000 2.684 1.857 4.848 . 0 0 "[ . 1 . 2]" 1
1952 1 36 LEU HG 1 37 LEU QD 4.500 . 5.000 3.047 2.318 4.067 . 0 0 "[ . 1 . 2]" 1
1953 2 36 LEU HG 2 37 LEU QD 4.500 . 5.000 3.047 2.318 4.068 . 0 0 "[ . 1 . 2]" 1
1954 1 36 LEU HG 1 37 LEU MD2 4.500 . 5.000 3.220 2.336 5.065 0.065 8 0 "[ . 1 . 2]" 1
1955 2 36 LEU HG 2 37 LEU MD2 4.500 . 5.000 3.221 2.336 5.066 0.066 8 0 "[ . 1 . 2]" 1
1956 1 37 LEU HA 1 37 LEU QD 3.800 . 4.300 1.973 1.938 2.077 . 0 0 "[ . 1 . 2]" 1
1957 2 37 LEU HA 2 37 LEU QD 3.800 . 4.300 1.973 1.939 2.077 . 0 0 "[ . 1 . 2]" 1
1958 1 37 LEU QD 1 78 VAL HA 4.500 . 5.000 3.349 2.921 3.782 . 0 0 "[ . 1 . 2]" 1
1959 2 37 LEU QD 2 78 VAL HA 4.500 . 5.000 3.350 2.922 3.782 . 0 0 "[ . 1 . 2]" 1
1960 1 37 LEU QD 1 78 VAL HB 4.500 . 5.000 4.167 3.786 4.687 . 0 0 "[ . 1 . 2]" 1
1961 2 37 LEU QD 2 78 VAL HB 4.500 . 5.000 4.167 3.786 4.688 . 0 0 "[ . 1 . 2]" 1
1962 1 37 LEU QD 1 41 LEU HB2 3.800 . 4.300 3.332 2.212 4.210 . 0 0 "[ . 1 . 2]" 1
1963 2 37 LEU QD 2 41 LEU HB2 3.800 . 4.300 3.332 2.213 4.211 . 0 0 "[ . 1 . 2]" 1
1964 1 37 LEU QD 1 41 LEU QD 4.500 . 5.000 2.714 1.999 3.357 . 0 0 "[ . 1 . 2]" 1
1965 2 37 LEU QD 2 41 LEU QD 4.500 . 5.000 2.714 2.000 3.357 . 0 0 "[ . 1 . 2]" 1
1966 1 37 LEU QD 1 77 LEU QD 5.200 . 5.700 2.197 1.877 2.634 . 0 0 "[ . 1 . 2]" 1
1967 2 37 LEU QD 2 77 LEU QD 5.200 . 5.700 2.197 1.877 2.635 . 0 0 "[ . 1 . 2]" 1
1968 1 37 LEU QD 1 74 TYR HE1 4.500 . 5.000 2.590 2.123 3.912 . 0 0 "[ . 1 . 2]" 1
1969 2 37 LEU QD 2 74 TYR HE1 4.500 . 5.000 2.590 2.124 3.913 . 0 0 "[ . 1 . 2]" 1
1970 1 37 LEU QD 1 78 VAL MG1 3.800 . 4.300 2.531 2.118 3.117 . 0 0 "[ . 1 . 2]" 1
1971 2 37 LEU QD 2 78 VAL MG1 3.800 . 4.300 2.531 2.119 3.117 . 0 0 "[ . 1 . 2]" 1
1972 1 37 LEU QD 1 38 GLN H 4.500 . 5.000 3.882 3.748 4.181 . 0 0 "[ . 1 . 2]" 1
1973 2 37 LEU QD 2 38 GLN H 4.500 . 5.000 3.882 3.748 4.182 . 0 0 "[ . 1 . 2]" 1
1974 1 37 LEU MD1 1 78 VAL HA 4.500 . 5.000 3.490 2.951 3.903 . 0 0 "[ . 1 . 2]" 1
1975 2 37 LEU MD1 2 78 VAL HA 4.500 . 5.000 3.490 2.953 3.903 . 0 0 "[ . 1 . 2]" 1
1976 1 37 LEU MD1 1 78 VAL HB 4.500 . 5.000 4.479 3.904 5.014 0.014 16 0 "[ . 1 . 2]" 1
1977 2 37 LEU MD1 2 78 VAL HB 4.500 . 5.000 4.479 3.906 5.014 0.014 16 0 "[ . 1 . 2]" 1
1978 1 37 LEU MD1 1 41 LEU HB2 3.800 . 4.300 3.621 2.220 4.318 0.018 16 0 "[ . 1 . 2]" 1
1979 2 37 LEU MD1 2 41 LEU HB2 3.800 . 4.300 3.621 2.220 4.319 0.019 1 0 "[ . 1 . 2]" 1
1980 1 37 LEU MD1 1 78 VAL MG1 3.800 . 4.300 2.770 2.149 3.441 . 0 0 "[ . 1 . 2]" 1
1981 2 37 LEU MD1 2 78 VAL MG1 3.800 . 4.300 2.770 2.150 3.441 . 0 0 "[ . 1 . 2]" 1
1982 1 37 LEU MD2 1 41 LEU QD 5.200 . 5.700 4.076 2.633 5.095 . 0 0 "[ . 1 . 2]" 1
1983 2 37 LEU MD2 2 41 LEU QD 5.200 . 5.700 4.076 2.633 5.095 . 0 0 "[ . 1 . 2]" 1
1984 1 37 LEU MD2 1 77 LEU QD 5.200 . 5.700 2.792 2.112 3.348 . 0 0 "[ . 1 . 2]" 1
1985 2 37 LEU MD2 2 77 LEU QD 5.200 . 5.700 2.792 2.112 3.348 . 0 0 "[ . 1 . 2]" 1
1986 1 37 LEU MD2 1 74 TYR HE1 4.500 . 5.000 2.690 2.135 4.260 . 0 0 "[ . 1 . 2]" 1
1987 2 37 LEU MD2 2 74 TYR HE1 4.500 . 5.000 2.690 2.135 4.260 . 0 0 "[ . 1 . 2]" 1
1988 1 37 LEU MD2 1 78 VAL MG1 4.500 . 5.000 3.179 2.184 3.564 . 0 0 "[ . 1 . 2]" 1
1989 2 37 LEU MD2 2 78 VAL MG1 4.500 . 5.000 3.179 2.184 3.564 . 0 0 "[ . 1 . 2]" 1
1990 1 37 LEU MD2 1 38 GLN H 4.500 . 5.000 4.131 3.920 4.581 . 0 0 "[ . 1 . 2]" 1
1991 2 37 LEU MD2 2 38 GLN H 4.500 . 5.000 4.131 3.920 4.581 . 0 0 "[ . 1 . 2]" 1
1992 1 37 LEU H 1 37 LEU QD 3.800 . 4.300 2.208 1.815 3.585 . 0 0 "[ . 1 . 2]" 1
1993 2 37 LEU H 2 37 LEU QD 3.800 . 4.300 2.208 1.815 3.584 . 0 0 "[ . 1 . 2]" 1
1994 1 44 PHE QB 1 47 ALA MB 5.200 . 5.700 4.167 3.692 4.462 . 0 0 "[ . 1 . 2]" 1
1995 2 44 PHE QB 2 47 ALA MB 5.200 . 5.700 4.167 3.691 4.462 . 0 0 "[ . 1 . 2]" 1
1996 1 44 PHE QB 1 45 LEU QB 4.500 . 5.000 4.057 3.762 4.485 . 0 0 "[ . 1 . 2]" 1
1997 2 44 PHE QB 2 45 LEU QB 4.500 . 5.000 4.057 3.761 4.486 . 0 0 "[ . 1 . 2]" 1
1998 1 44 PHE QB 1 45 LEU QD 4.500 . 5.000 4.213 2.246 4.709 . 0 0 "[ . 1 . 2]" 1
1999 2 44 PHE QB 2 45 LEU QD 4.500 . 5.000 4.213 2.247 4.709 . 0 0 "[ . 1 . 2]" 1
2000 1 44 PHE QB 1 45 LEU H 4.500 . 5.000 2.505 2.398 2.621 . 0 0 "[ . 1 . 2]" 1
2001 2 44 PHE QB 2 45 LEU H 4.500 . 5.000 2.505 2.397 2.621 . 0 0 "[ . 1 . 2]" 1
2002 1 44 PHE HB3 1 45 LEU QB 4.500 . 5.000 4.171 3.845 4.636 . 0 0 "[ . 1 . 2]" 1
2003 2 44 PHE HB3 2 45 LEU QB 4.500 . 5.000 4.171 3.845 4.636 . 0 0 "[ . 1 . 2]" 1
2004 1 44 PHE HB3 1 45 LEU QD 4.500 . 5.000 4.356 2.263 4.891 . 0 0 "[ . 1 . 2]" 1
2005 2 44 PHE HB3 2 45 LEU QD 4.500 . 5.000 4.356 2.263 4.891 . 0 0 "[ . 1 . 2]" 1
2006 1 44 PHE HB3 1 45 LEU H 4.500 . 5.000 2.541 2.426 2.665 . 0 0 "[ . 1 . 2]" 1
2007 2 44 PHE HB3 2 45 LEU H 4.500 . 5.000 2.541 2.425 2.664 . 0 0 "[ . 1 . 2]" 1
2008 1 44 PHE HB2 1 47 ALA MB 5.200 . 5.700 4.631 3.941 5.097 . 0 0 "[ . 1 . 2]" 1
2009 2 44 PHE HB2 2 47 ALA MB 5.200 . 5.700 4.631 3.940 5.096 . 0 0 "[ . 1 . 2]" 1
2010 1 53 ALA HA 1 57 VAL QG 4.500 . 5.000 4.131 3.796 4.851 . 0 0 "[ . 1 . 2]" 1
2011 2 53 ALA HA 2 57 VAL QG 4.500 . 5.000 4.131 3.796 4.852 . 0 0 "[ . 1 . 2]" 1
2012 1 53 ALA HA 1 57 VAL MG1 4.500 . 5.000 4.302 3.954 5.021 0.021 16 0 "[ . 1 . 2]" 1
2013 2 53 ALA HA 2 57 VAL MG1 4.500 . 5.000 4.302 3.954 5.021 0.021 16 0 "[ . 1 . 2]" 1
2014 1 53 ALA MB 1 57 VAL QG 4.500 . 5.000 3.094 2.860 4.015 . 0 0 "[ . 1 . 2]" 1
2015 2 53 ALA MB 2 57 VAL QG 4.500 . 5.000 3.094 2.860 4.015 . 0 0 "[ . 1 . 2]" 1
2016 1 53 ALA MB 1 57 VAL MG1 4.500 . 5.000 3.189 2.915 4.209 . 0 0 "[ . 1 . 2]" 1
2017 2 53 ALA MB 2 57 VAL MG1 4.500 . 5.000 3.188 2.916 4.210 . 0 0 "[ . 1 . 2]" 1
2018 1 54 VAL HA 1 57 VAL QG 3.800 . 4.300 2.074 1.974 2.126 . 0 0 "[ . 1 . 2]" 1
2019 2 54 VAL HA 2 57 VAL QG 3.800 . 4.300 2.074 1.975 2.127 . 0 0 "[ . 1 . 2]" 1
2020 1 54 VAL HA 1 57 VAL MG1 . . 4.300 2.895 2.008 3.564 . 0 0 "[ . 1 . 2]" 1
2021 2 54 VAL HA 2 57 VAL MG1 3.800 . 4.300 2.895 2.008 3.564 . 0 0 "[ . 1 . 2]" 1
2022 1 54 VAL H 1 57 VAL QG 4.500 . 5.000 3.950 3.728 4.232 . 0 0 "[ . 1 . 2]" 1
2023 2 54 VAL H 2 57 VAL QG 4.500 . 5.000 3.950 3.728 4.233 . 0 0 "[ . 1 . 2]" 1
2024 1 54 VAL H 1 57 VAL MG1 4.500 . 5.000 4.425 3.944 4.730 . 0 0 "[ . 1 . 2]" 1
2025 2 54 VAL H 2 57 VAL MG1 4.500 . 5.000 4.425 3.944 4.731 . 0 0 "[ . 1 . 2]" 1
2026 1 56 LYS HB2 1 57 VAL QG 4.500 . 5.000 3.280 2.905 4.297 . 0 0 "[ . 1 . 2]" 1
2027 2 56 LYS HB2 2 57 VAL QG 4.500 . 5.000 3.280 2.904 4.296 . 0 0 "[ . 1 . 2]" 1
2028 1 56 LYS HB2 1 57 VAL MG1 4.500 . 5.000 3.387 2.944 4.629 . 0 0 "[ . 1 . 2]" 1
2029 2 56 LYS HB2 2 57 VAL MG1 4.500 . 5.000 3.387 2.944 4.629 . 0 0 "[ . 1 . 2]" 1
2030 1 56 LYS H 1 57 VAL QG 4.500 . 5.000 3.695 3.574 4.046 . 0 0 "[ . 1 . 2]" 1
2031 2 56 LYS H 2 57 VAL QG 4.500 . 5.000 3.696 3.574 4.046 . 0 0 "[ . 1 . 2]" 1
2032 1 57 VAL QG 1 58 MET HA 4.500 . 5.000 3.069 2.971 3.174 . 0 0 "[ . 1 . 2]" 1
2033 2 57 VAL QG 2 58 MET HA 4.500 . 5.000 3.069 2.971 3.174 . 0 0 "[ . 1 . 2]" 1
2034 1 57 VAL QG 1 61 LEU QD 3.800 . 4.300 2.715 1.915 3.306 . 0 0 "[ . 1 . 2]" 1
2035 2 57 VAL QG 2 61 LEU QD 3.800 . 4.300 2.715 1.916 3.305 . 0 0 "[ . 1 . 2]" 1
2036 1 57 VAL MG2 1 58 MET HA 4.500 . 5.000 3.308 3.047 4.211 . 0 0 "[ . 1 . 2]" 1
2037 2 57 VAL MG2 2 58 MET HA 4.500 . 5.000 3.308 3.047 4.210 . 0 0 "[ . 1 . 2]" 1
2038 1 57 VAL MG2 1 61 LEU QD 3.800 . 4.300 2.804 2.015 3.404 . 0 0 "[ . 1 . 2]" 1
2039 2 57 VAL MG2 2 61 LEU QD 3.800 . 4.300 2.803 2.016 3.404 . 0 0 "[ . 1 . 2]" 1
2040 1 57 VAL MG2 1 61 LEU MD1 4.500 . 5.000 3.042 2.025 4.834 . 0 0 "[ . 1 . 2]" 1
2041 2 57 VAL MG2 2 61 LEU MD1 4.500 . 5.000 3.042 2.026 4.834 . 0 0 "[ . 1 . 2]" 1
2042 1 57 VAL MG2 1 61 LEU MD2 4.500 . 5.000 4.114 2.471 4.939 . 0 0 "[ . 1 . 2]" 1
2043 2 57 VAL MG2 2 61 LEU MD2 4.500 . 5.000 4.114 2.470 4.937 . 0 0 "[ . 1 . 2]" 1
2044 1 57 VAL H 1 57 VAL QG 3.800 . 4.300 1.944 1.791 2.418 0.009 15 0 "[ . 1 . 2]" 1
2045 2 57 VAL H 2 57 VAL QG 3.800 . 4.300 1.944 1.791 2.419 0.009 15 0 "[ . 1 . 2]" 1
2046 1 57 VAL H 1 57 VAL MG1 3.800 . 4.300 2.119 1.918 2.454 . 0 0 "[ . 1 . 2]" 1
2047 2 57 VAL H 2 57 VAL MG1 3.800 . 4.300 2.119 1.920 2.455 . 0 0 "[ . 1 . 2]" 1
2048 1 58 MET HA 1 58 MET QG 3.800 . 4.300 2.630 2.356 2.815 . 0 0 "[ . 1 . 2]" 1
2049 2 58 MET HA 2 58 MET QG 3.800 . 4.300 2.629 2.356 2.815 . 0 0 "[ . 1 . 2]" 1
2050 1 58 MET QG 1 69 VAL QG 3.800 . 4.300 3.824 2.786 4.281 . 0 0 "[ . 1 . 2]" 1
2051 2 58 MET QG 2 69 VAL QG 3.800 . 4.300 3.824 2.786 4.281 . 0 0 "[ . 1 . 2]" 1
2052 1 58 MET ME 1 58 MET HG3 3.800 . 4.300 2.283 2.213 2.447 . 0 0 "[ . 1 . 2]" 1
2053 2 58 MET ME 2 58 MET HG3 3.800 . 4.300 2.284 2.213 2.448 . 0 0 "[ . 1 . 2]" 1
2054 1 58 MET HG2 1 69 VAL QG 4.500 . 5.000 4.608 3.529 5.067 0.067 12 0 "[ . 1 . 2]" 1
2055 2 58 MET HG2 2 69 VAL QG 4.500 . 5.000 4.608 3.528 5.066 0.066 12 0 "[ . 1 . 2]" 1
2056 1 58 MET H 1 58 MET QG 4.500 . 5.000 2.800 2.150 3.949 . 0 0 "[ . 1 . 2]" 1
2057 2 58 MET H 2 58 MET QG 4.500 . 5.000 2.800 2.150 3.948 . 0 0 "[ . 1 . 2]" 1
2058 1 58 MET H 1 58 MET HG3 4.500 . 5.000 3.862 3.498 4.550 . 0 0 "[ . 1 . 2]" 1
2059 2 58 MET H 2 58 MET HG3 4.500 . 5.000 3.862 3.496 4.550 . 0 0 "[ . 1 . 2]" 1
2060 1 61 LEU HA 1 76 VAL QG 4.500 . 5.000 4.226 3.546 5.002 0.002 12 0 "[ . 1 . 2]" 1
2061 2 61 LEU HA 2 76 VAL QG 4.500 . 5.000 4.226 3.546 5.002 0.002 12 0 "[ . 1 . 2]" 1
2062 1 61 LEU HA 1 76 VAL MG2 5.200 . 5.700 4.296 3.584 5.100 . 0 0 "[ . 1 . 2]" 1
2063 2 61 LEU HA 2 76 VAL MG2 5.200 . 5.700 4.295 3.584 5.100 . 0 0 "[ . 1 . 2]" 1
2064 1 61 LEU HG 1 76 VAL QG 4.500 . 5.000 4.795 4.162 4.946 . 0 0 "[ . 1 . 2]" 1
2065 2 61 LEU HG 2 76 VAL QG 4.500 . 5.000 4.794 4.163 4.946 . 0 0 "[ . 1 . 2]" 1
2066 1 61 LEU HG 1 76 VAL MG2 4.500 . 5.000 4.869 4.223 5.022 0.022 1 0 "[ . 1 . 2]" 1
2067 2 61 LEU HG 2 76 VAL MG2 4.500 . 5.000 4.869 4.223 5.022 0.022 19 0 "[ . 1 . 2]" 1
2068 1 71 PHE H 1 71 PHE HB2 3.800 . 4.300 2.473 2.436 2.510 . 0 0 "[ . 1 . 2]" 1
2069 2 71 PHE H 2 71 PHE HB2 3.800 . 4.300 2.474 2.436 2.511 . 0 0 "[ . 1 . 2]" 1
2070 1 72 GLN HA 1 75 VAL QG 3.800 . 4.300 2.744 2.595 3.284 . 0 0 "[ . 1 . 2]" 1
2071 2 72 GLN HA 2 75 VAL QG 3.800 . 4.300 2.745 2.596 3.285 . 0 0 "[ . 1 . 2]" 1
2072 1 72 GLN HA 1 75 VAL MG1 . . 4.300 2.820 2.607 3.716 . 0 0 "[ . 1 . 2]" 1
2073 2 72 GLN HA 2 75 VAL MG1 3.800 . 4.300 2.821 2.609 3.716 . 0 0 "[ . 1 . 2]" 1
2074 1 72 GLN QB 1 75 VAL QG 4.500 . 5.000 4.221 4.121 4.577 . 0 0 "[ . 1 . 2]" 1
2075 2 72 GLN QB 2 75 VAL QG 4.500 . 5.000 4.222 4.121 4.577 . 0 0 "[ . 1 . 2]" 1
2076 1 72 GLN QB 1 75 VAL MG1 4.500 . 5.000 4.350 4.189 5.012 0.012 16 0 "[ . 1 . 2]" 1
2077 2 72 GLN QB 2 75 VAL MG1 4.500 . 5.000 4.351 4.189 5.012 0.012 16 0 "[ . 1 . 2]" 1
2078 1 72 GLN HG2 1 76 VAL MG1 4.500 . 5.000 3.353 2.930 3.546 . 0 0 "[ . 1 . 2]" 1
2079 2 72 GLN HG2 2 76 VAL MG1 4.500 . 5.000 3.353 2.929 3.547 . 0 0 "[ . 1 . 2]" 1
2080 1 73 GLU HA 1 76 VAL QG 3.800 . 4.300 2.136 2.077 2.164 . 0 0 "[ . 1 . 2]" 1
2081 2 73 GLU HA 2 76 VAL QG 3.800 . 4.300 2.136 2.076 2.164 . 0 0 "[ . 1 . 2]" 1
2082 1 73 GLU H 1 76 VAL QG 5.200 . 5.700 4.069 4.024 4.125 . 0 0 "[ . 1 . 2]" 1
2083 2 73 GLU H 2 76 VAL QG 5.200 . 5.700 4.069 4.024 4.126 . 0 0 "[ . 1 . 2]" 1
2084 1 73 GLU H 1 76 VAL MG2 5.200 . 5.700 4.250 4.198 4.313 . 0 0 "[ . 1 . 2]" 1
2085 2 73 GLU H 2 76 VAL MG2 5.200 . 5.700 4.250 4.198 4.313 . 0 0 "[ . 1 . 2]" 1
2086 1 74 TYR HE2 1 75 VAL QG 4.500 . 5.000 4.764 4.202 4.852 . 0 0 "[ . 1 . 2]" 1
2087 2 74 TYR HE2 2 75 VAL QG 4.500 . 5.000 4.761 4.202 4.850 . 0 0 "[ . 1 . 2]" 1
2088 1 74 TYR HE2 1 75 VAL MG2 4.500 . 5.000 4.908 4.266 5.007 0.007 3 0 "[ . 1 . 2]" 1
2089 2 74 TYR HE2 2 75 VAL MG2 4.500 . 5.000 4.904 4.266 5.008 0.008 3 0 "[ . 1 . 2]" 1
2090 1 75 VAL QG 1 76 VAL HA 4.500 . 5.000 3.062 2.956 3.097 . 0 0 "[ . 1 . 2]" 1
2091 2 75 VAL QG 2 76 VAL HA 4.500 . 5.000 3.062 2.957 3.096 . 0 0 "[ . 1 . 2]" 1
2092 1 75 VAL QG 1 76 VAL QG 3.800 . 4.300 2.083 1.959 2.467 . 0 0 "[ . 1 . 2]" 1
2093 2 75 VAL QG 2 76 VAL QG 3.800 . 4.300 2.083 1.960 2.467 . 0 0 "[ . 1 . 2]" 1
2094 1 75 VAL QG 1 77 LEU H 4.500 . 5.000 3.913 3.819 4.356 . 0 0 "[ . 1 . 2]" 1
2095 2 75 VAL QG 2 77 LEU H 4.500 . 5.000 3.914 3.820 4.356 . 0 0 "[ . 1 . 2]" 1
2096 1 75 VAL QG 1 78 VAL H 5.200 . 5.700 4.389 4.331 4.541 . 0 0 "[ . 1 . 2]" 1
2097 2 75 VAL QG 2 78 VAL H 5.200 . 5.700 4.390 4.333 4.541 . 0 0 "[ . 1 . 2]" 1
2098 1 75 VAL QG 1 79 ALA H 4.500 . 5.000 4.159 4.004 4.312 . 0 0 "[ . 1 . 2]" 1
2099 2 75 VAL QG 2 79 ALA H 4.500 . 5.000 4.162 4.007 4.316 . 0 0 "[ . 1 . 2]" 1
2100 1 75 VAL MG1 1 76 VAL HA 4.500 . 5.000 3.155 2.974 3.210 . 0 0 "[ . 1 . 2]" 1
2101 2 75 VAL MG1 2 76 VAL HA 4.500 . 5.000 3.154 2.974 3.210 . 0 0 "[ . 1 . 2]" 1
2102 1 75 VAL MG1 1 76 VAL MG1 3.800 . 4.300 2.129 1.997 2.516 . 0 0 "[ . 1 . 2]" 1
2103 2 75 VAL MG1 2 76 VAL MG1 3.800 . 4.300 2.128 1.998 2.516 . 0 0 "[ . 1 . 2]" 1
2104 1 75 VAL MG1 1 78 VAL H 5.200 . 5.700 4.986 4.860 5.015 . 0 0 "[ . 1 . 2]" 1
2105 2 75 VAL MG1 2 78 VAL H 5.200 . 5.700 4.986 4.860 5.016 . 0 0 "[ . 1 . 2]" 1
2106 1 75 VAL H 1 75 VAL QG 3.800 . 4.300 2.522 2.431 2.815 . 0 0 "[ . 1 . 2]" 1
2107 2 75 VAL H 2 75 VAL QG 3.800 . 4.300 2.524 2.434 2.816 . 0 0 "[ . 1 . 2]" 1
2108 1 75 VAL H 1 76 VAL QG 4.500 . 5.000 3.610 3.570 3.638 . 0 0 "[ . 1 . 2]" 1
2109 2 75 VAL H 2 76 VAL QG 4.500 . 5.000 3.610 3.571 3.639 . 0 0 "[ . 1 . 2]" 1
2110 1 75 VAL H 1 76 VAL MG1 4.500 . 5.000 4.300 4.212 4.452 . 0 0 "[ . 1 . 2]" 1
2111 2 75 VAL H 2 76 VAL MG1 4.500 . 5.000 4.301 4.214 4.452 . 0 0 "[ . 1 . 2]" 1
2112 1 76 VAL QG 1 77 LEU QB 4.500 . 5.000 3.064 3.000 3.169 . 0 0 "[ . 1 . 2]" 1
2113 2 76 VAL QG 2 77 LEU QB 4.500 . 5.000 3.064 2.999 3.168 . 0 0 "[ . 1 . 2]" 1
2114 1 76 VAL QG 1 77 LEU H 3.800 . 4.300 2.096 2.043 2.141 . 0 0 "[ . 1 . 2]" 1
2115 2 76 VAL QG 2 77 LEU H 3.800 . 4.300 2.096 2.043 2.140 . 0 0 "[ . 1 . 2]" 1
2116 1 76 VAL MG2 1 77 LEU QB 4.500 . 5.000 3.086 3.020 3.195 . 0 0 "[ . 1 . 2]" 1
2117 2 76 VAL MG2 2 77 LEU QB 4.500 . 5.000 3.086 3.019 3.194 . 0 0 "[ . 1 . 2]" 1
2118 1 76 VAL H 1 76 VAL QG 3.800 . 4.300 1.857 1.797 1.895 0.003 16 0 "[ . 1 . 2]" 1
2119 2 76 VAL H 2 76 VAL QG 3.800 . 4.300 1.857 1.797 1.895 0.003 16 0 "[ . 1 . 2]" 1
2120 1 76 VAL H 1 76 VAL MG1 3.800 . 4.300 2.288 2.188 2.344 . 0 0 "[ . 1 . 2]" 1
2121 2 76 VAL H 2 76 VAL MG1 3.800 . 4.300 2.288 2.190 2.344 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 140
_Distance_constraint_stats_list.Viol_count 1310
_Distance_constraint_stats_list.Viol_total 469.497
_Distance_constraint_stats_list.Viol_max 0.070
_Distance_constraint_stats_list.Viol_rms 0.0128
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0084
_Distance_constraint_stats_list.Viol_average_violations_only 0.0179
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.304 0.026 9 0 "[ . 1 . 2]"
1 3 GLU 0.097 0.027 9 0 "[ . 1 . 2]"
1 4 LEU 0.355 0.046 16 0 "[ . 1 . 2]"
1 6 THR 0.304 0.026 9 0 "[ . 1 . 2]"
1 7 ALA 0.097 0.027 9 0 "[ . 1 . 2]"
1 8 MET 1.595 0.070 13 0 "[ . 1 . 2]"
1 11 LEU 1.665 0.070 13 0 "[ . 1 . 2]"
1 12 ILE 0.129 0.023 12 0 "[ . 1 . 2]"
1 13 ASN 0.423 0.029 11 0 "[ . 1 . 2]"
1 14 VAL 0.037 0.010 15 0 "[ . 1 . 2]"
1 15 PHE 0.552 0.033 12 0 "[ . 1 . 2]"
1 16 HIS 0.347 0.031 15 0 "[ . 1 . 2]"
1 17 ALA 0.423 0.029 11 0 "[ . 1 . 2]"
1 18 HIS 0.037 0.010 15 0 "[ . 1 . 2]"
1 19 SER 0.128 0.020 9 0 "[ . 1 . 2]"
1 20 GLY 0.217 0.031 15 0 "[ . 1 . 2]"
1 29 SER 0.231 0.024 6 0 "[ . 1 . 2]"
1 30 LYS 0.335 0.032 18 0 "[ . 1 . 2]"
1 32 GLU 0.163 0.018 8 0 "[ . 1 . 2]"
1 33 LEU 0.395 0.024 6 0 "[ . 1 . 2]"
1 34 LYS 0.613 0.032 18 0 "[ . 1 . 2]"
1 36 LEU 0.388 0.030 10 0 "[ . 1 . 2]"
1 37 LEU 0.268 0.020 7 0 "[ . 1 . 2]"
1 38 GLN 0.279 0.027 2 0 "[ . 1 . 2]"
1 40 GLU 0.225 0.030 10 0 "[ . 1 . 2]"
1 41 LEU 0.655 0.038 2 0 "[ . 1 . 2]"
1 42 SER 0.265 0.037 16 0 "[ . 1 . 2]"
1 44 PHE 0.551 0.038 2 0 "[ . 1 . 2]"
1 45 LEU 0.265 0.037 16 0 "[ . 1 . 2]"
1 48 GLN 0.431 0.049 2 0 "[ . 1 . 2]"
1 49 LYS 0.155 0.028 2 0 "[ . 1 . 2]"
1 50 ASP 0.395 0.037 9 0 "[ . 1 . 2]"
1 51 VAL 0.593 0.049 2 0 "[ . 1 . 2]"
1 52 ASP 0.617 0.044 2 0 "[ . 1 . 2]"
1 53 ALA 0.960 0.047 12 0 "[ . 1 . 2]"
1 54 VAL 0.161 0.024 9 0 "[ . 1 . 2]"
1 55 ASP 0.462 0.044 2 0 "[ . 1 . 2]"
1 57 VAL 0.564 0.047 12 0 "[ . 1 . 2]"
1 58 MET 0.225 0.045 20 0 "[ . 1 . 2]"
1 62 ASP 0.225 0.045 20 0 "[ . 1 . 2]"
1 70 ASP 0.052 0.013 19 0 "[ . 1 . 2]"
1 71 PHE 0.042 0.010 16 0 "[ . 1 . 2]"
1 73 GLU 0.314 0.028 4 0 "[ . 1 . 2]"
1 74 TYR 0.660 0.050 6 0 "[ . 1 . 2]"
1 75 VAL 0.042 0.010 16 0 "[ . 1 . 2]"
1 77 LEU 0.314 0.028 4 0 "[ . 1 . 2]"
1 78 VAL 1.102 0.050 6 0 "[ . 1 . 2]"
1 81 LEU 1.130 0.050 3 0 "[ . 1 . 2]"
1 82 THR 0.494 0.035 15 0 "[ . 1 . 2]"
1 84 ALA 1.535 0.050 3 0 "[ . 1 . 2]"
1 85 MET 0.192 0.035 20 0 "[ . 1 . 2]"
1 88 PHE 0.853 0.047 6 0 "[ . 1 . 2]"
1 89 PHE 0.192 0.035 20 0 "[ . 1 . 2]"
1 91 GLU 0.448 0.027 20 0 "[ . 1 . 2]"
2 2 SER 0.300 0.026 9 0 "[ . 1 . 2]"
2 3 GLU 0.095 0.027 9 0 "[ . 1 . 2]"
2 4 LEU 0.349 0.046 16 0 "[ . 1 . 2]"
2 6 THR 0.300 0.026 9 0 "[ . 1 . 2]"
2 7 ALA 0.095 0.027 9 0 "[ . 1 . 2]"
2 8 MET 1.594 0.070 13 0 "[ . 1 . 2]"
2 11 LEU 1.661 0.070 13 0 "[ . 1 . 2]"
2 12 ILE 0.131 0.023 12 0 "[ . 1 . 2]"
2 13 ASN 0.425 0.029 18 0 "[ . 1 . 2]"
2 14 VAL 0.034 0.010 15 0 "[ . 1 . 2]"
2 15 PHE 0.542 0.032 4 0 "[ . 1 . 2]"
2 16 HIS 0.345 0.031 15 0 "[ . 1 . 2]"
2 17 ALA 0.425 0.029 18 0 "[ . 1 . 2]"
2 18 HIS 0.034 0.010 15 0 "[ . 1 . 2]"
2 19 SER 0.125 0.020 9 0 "[ . 1 . 2]"
2 20 GLY 0.213 0.031 15 0 "[ . 1 . 2]"
2 29 SER 0.230 0.024 6 0 "[ . 1 . 2]"
2 30 LYS 0.333 0.032 18 0 "[ . 1 . 2]"
2 32 GLU 0.165 0.018 8 0 "[ . 1 . 2]"
2 33 LEU 0.393 0.024 6 0 "[ . 1 . 2]"
2 34 LYS 0.613 0.032 18 0 "[ . 1 . 2]"
2 36 LEU 0.385 0.029 10 0 "[ . 1 . 2]"
2 37 LEU 0.265 0.021 7 0 "[ . 1 . 2]"
2 38 GLN 0.280 0.028 2 0 "[ . 1 . 2]"
2 40 GLU 0.220 0.029 10 0 "[ . 1 . 2]"
2 41 LEU 0.652 0.037 2 0 "[ . 1 . 2]"
2 42 SER 0.269 0.036 16 0 "[ . 1 . 2]"
2 44 PHE 0.550 0.037 2 0 "[ . 1 . 2]"
2 45 LEU 0.269 0.036 16 0 "[ . 1 . 2]"
2 48 GLN 0.430 0.049 2 0 "[ . 1 . 2]"
2 49 LYS 0.155 0.028 2 0 "[ . 1 . 2]"
2 50 ASP 0.388 0.037 9 0 "[ . 1 . 2]"
2 51 VAL 0.592 0.049 2 0 "[ . 1 . 2]"
2 52 ASP 0.620 0.045 2 0 "[ . 1 . 2]"
2 53 ALA 0.953 0.047 12 0 "[ . 1 . 2]"
2 54 VAL 0.163 0.025 9 0 "[ . 1 . 2]"
2 55 ASP 0.465 0.045 2 0 "[ . 1 . 2]"
2 57 VAL 0.564 0.047 12 0 "[ . 1 . 2]"
2 58 MET 0.229 0.046 20 0 "[ . 1 . 2]"
2 62 ASP 0.229 0.046 20 0 "[ . 1 . 2]"
2 70 ASP 0.051 0.014 3 0 "[ . 1 . 2]"
2 71 PHE 0.043 0.010 16 0 "[ . 1 . 2]"
2 73 GLU 0.312 0.029 4 0 "[ . 1 . 2]"
2 74 TYR 0.658 0.051 6 0 "[ . 1 . 2]"
2 75 VAL 0.043 0.010 16 0 "[ . 1 . 2]"
2 77 LEU 0.312 0.029 4 0 "[ . 1 . 2]"
2 78 VAL 1.103 0.051 6 0 "[ . 1 . 2]"
2 81 LEU 1.128 0.051 3 0 "[ . 1 . 2]"
2 82 THR 0.495 0.035 15 0 "[ . 1 . 2]"
2 84 ALA 1.533 0.051 3 0 "[ . 1 . 2]"
2 85 MET 0.193 0.035 20 0 "[ . 1 . 2]"
2 88 PHE 0.855 0.047 6 0 "[ . 1 . 2]"
2 89 PHE 0.193 0.035 20 0 "[ . 1 . 2]"
2 91 GLU 0.450 0.026 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER O 1 6 THR H 1.850 . 1.950 1.964 1.919 1.976 0.026 9 0 "[ . 1 . 2]" 2
2 1 2 SER O 1 6 THR N 2.850 2.750 2.950 2.894 2.821 2.916 . 0 0 "[ . 1 . 2]" 2
3 1 3 GLU O 1 7 ALA H 1.850 . 1.950 1.917 1.816 1.970 0.020 7 0 "[ . 1 . 2]" 2
4 1 3 GLU O 1 7 ALA N 2.850 2.750 2.950 2.855 2.723 2.914 0.027 9 0 "[ . 1 . 2]" 2
5 1 4 LEU O 1 8 MET H 1.850 . 1.950 1.960 1.853 1.996 0.046 16 0 "[ . 1 . 2]" 2
6 1 4 LEU O 1 8 MET N 2.850 2.750 2.950 2.882 2.747 2.954 0.004 16 0 "[ . 1 . 2]" 2
7 1 8 MET O 1 11 LEU H 1.850 . 1.950 2.012 1.994 2.020 0.070 13 0 "[ . 1 . 2]" 2
8 1 8 MET O 1 11 LEU N 2.850 2.750 2.950 2.839 2.782 2.886 . 0 0 "[ . 1 . 2]" 2
9 1 11 LEU O 1 15 PHE H 1.850 . 1.950 1.971 1.960 1.983 0.033 12 0 "[ . 1 . 2]" 2
10 1 11 LEU O 1 15 PHE N 2.850 2.750 2.950 2.889 2.855 2.933 . 0 0 "[ . 1 . 2]" 2
11 1 12 ILE O 1 16 HIS H 1.850 . 1.950 1.842 1.769 1.966 0.016 5 0 "[ . 1 . 2]" 2
12 1 12 ILE O 1 16 HIS N 2.850 2.750 2.950 2.805 2.727 2.946 0.023 12 0 "[ . 1 . 2]" 2
13 1 13 ASN O 1 17 ALA H 1.850 . 1.950 1.971 1.964 1.979 0.029 11 0 "[ . 1 . 2]" 2
14 1 13 ASN O 1 17 ALA N 2.850 2.750 2.950 2.913 2.869 2.951 0.001 18 0 "[ . 1 . 2]" 2
15 1 14 VAL O 1 18 HIS H 1.850 . 1.950 1.883 1.785 1.959 0.009 14 0 "[ . 1 . 2]" 2
16 1 14 VAL O 1 18 HIS N 2.850 2.750 2.950 2.816 2.740 2.903 0.010 15 0 "[ . 1 . 2]" 2
17 1 15 PHE O 1 19 SER H 1.850 . 1.950 1.945 1.842 1.970 0.020 9 0 "[ . 1 . 2]" 2
18 1 15 PHE O 1 19 SER N 2.850 2.750 2.950 2.857 2.743 2.911 0.007 12 0 "[ . 1 . 2]" 2
19 1 16 HIS O 1 20 GLY H 1.850 . 1.950 1.960 1.951 1.981 0.031 15 0 "[ . 1 . 2]" 2
20 1 16 HIS O 1 20 GLY N 2.850 2.750 2.950 2.828 2.742 2.891 0.008 9 0 "[ . 1 . 2]" 2
21 1 29 SER O 1 33 LEU H 1.850 . 1.950 1.938 1.814 1.974 0.024 6 0 "[ . 1 . 2]" 2
22 1 29 SER O 1 33 LEU N 2.850 2.750 2.950 2.838 2.735 2.892 0.015 17 0 "[ . 1 . 2]" 2
23 1 30 LYS O 1 34 LYS H 1.850 . 1.950 1.825 1.748 1.982 0.032 18 0 "[ . 1 . 2]" 2
24 1 30 LYS O 1 34 LYS N 2.850 2.750 2.950 2.774 2.720 2.921 0.030 7 0 "[ . 1 . 2]" 2
25 1 32 GLU O 1 36 LEU H 1.850 . 1.950 1.936 1.867 1.968 0.018 8 0 "[ . 1 . 2]" 2
26 1 32 GLU O 1 36 LEU N 2.850 2.750 2.950 2.835 2.748 2.902 0.002 7 0 "[ . 1 . 2]" 2
27 1 33 LEU O 1 37 LEU H 1.850 . 1.950 1.939 1.777 1.968 0.018 5 0 "[ . 1 . 2]" 2
28 1 33 LEU O 1 37 LEU N 2.850 2.750 2.950 2.909 2.745 2.953 0.005 8 0 "[ . 1 . 2]" 2
29 1 34 LYS O 1 38 GLN H 1.850 . 1.950 1.959 1.854 1.977 0.027 2 0 "[ . 1 . 2]" 2
30 1 34 LYS O 1 38 GLN N 2.850 2.750 2.950 2.891 2.747 2.940 0.003 10 0 "[ . 1 . 2]" 2
31 1 36 LEU O 1 40 GLU H 1.850 . 1.950 1.961 1.952 1.980 0.030 10 0 "[ . 1 . 2]" 2
32 1 36 LEU O 1 40 GLU N 2.850 2.750 2.950 2.885 2.859 2.914 . 0 0 "[ . 1 . 2]" 2
33 1 37 LEU O 1 41 LEU H 1.850 . 1.950 1.907 1.839 1.970 0.020 7 0 "[ . 1 . 2]" 2
34 1 37 LEU O 1 41 LEU N 2.850 2.750 2.950 2.785 2.730 2.893 0.020 1 0 "[ . 1 . 2]" 2
35 1 41 LEU O 1 44 PHE H 1.850 . 1.950 1.978 1.963 1.988 0.038 2 0 "[ . 1 . 2]" 2
36 1 41 LEU O 1 44 PHE N 2.850 2.750 2.950 2.865 2.826 2.920 . 0 0 "[ . 1 . 2]" 2
37 1 42 SER O 1 45 LEU H 1.850 . 1.950 1.963 1.935 1.987 0.037 16 0 "[ . 1 . 2]" 2
38 1 42 SER O 1 45 LEU N 2.850 2.750 2.950 2.902 2.871 2.925 . 0 0 "[ . 1 . 2]" 2
39 1 48 GLN O 1 51 VAL H 1.850 . 1.950 1.950 1.770 1.999 0.049 2 0 "[ . 1 . 2]" 2
40 1 48 GLN O 1 51 VAL N 2.850 2.750 2.950 2.850 2.733 2.949 0.017 12 0 "[ . 1 . 2]" 2
41 1 49 LYS O 1 52 ASP H 1.850 . 1.950 1.920 1.809 1.978 0.028 2 0 "[ . 1 . 2]" 2
42 1 49 LYS O 1 52 ASP N 2.850 2.750 2.950 2.805 2.740 2.871 0.010 19 0 "[ . 1 . 2]" 2
43 1 50 ASP O 1 53 ALA H 1.850 . 1.950 1.963 1.932 1.987 0.037 9 0 "[ . 1 . 2]" 2
44 1 50 ASP O 1 53 ALA N 2.850 2.750 2.950 2.820 2.721 2.942 0.029 9 0 "[ . 1 . 2]" 2
45 1 51 VAL O 1 54 VAL H 1.850 . 1.950 1.910 1.873 1.974 0.024 9 0 "[ . 1 . 2]" 2
46 1 51 VAL O 1 54 VAL N 2.850 2.750 2.950 2.764 2.736 2.832 0.014 8 0 "[ . 1 . 2]" 2
47 1 52 ASP O 1 55 ASP H 1.850 . 1.950 1.973 1.954 1.994 0.044 2 0 "[ . 1 . 2]" 2
48 1 52 ASP O 1 55 ASP N 2.850 2.750 2.950 2.832 2.778 2.875 . 0 0 "[ . 1 . 2]" 2
49 1 53 ALA O 1 57 VAL H 1.850 . 1.950 1.978 1.951 1.997 0.047 12 0 "[ . 1 . 2]" 2
50 1 53 ALA O 1 57 VAL N 2.850 2.750 2.950 2.923 2.883 2.960 0.010 6 0 "[ . 1 . 2]" 2
51 1 58 MET O 1 62 ASP H 1.850 . 1.950 1.960 1.920 1.995 0.045 20 0 "[ . 1 . 2]" 2
52 1 58 MET O 1 62 ASP N 2.850 2.750 2.950 2.894 2.860 2.942 . 0 0 "[ . 1 . 2]" 2
53 1 70 ASP O 1 74 TYR H 1.850 . 1.950 1.874 1.784 1.962 0.012 20 0 "[ . 1 . 2]" 2
54 1 70 ASP O 1 74 TYR N 2.850 2.750 2.950 2.815 2.737 2.901 0.013 19 0 "[ . 1 . 2]" 2
55 1 71 PHE O 1 75 VAL H 1.850 . 1.950 1.932 1.874 1.960 0.010 16 0 "[ . 1 . 2]" 2
56 1 71 PHE O 1 75 VAL N 2.850 2.750 2.950 2.883 2.829 2.921 . 0 0 "[ . 1 . 2]" 2
57 1 73 GLU O 1 77 LEU H 1.850 . 1.950 1.966 1.953 1.978 0.028 4 0 "[ . 1 . 2]" 2
58 1 73 GLU O 1 77 LEU N 2.850 2.750 2.950 2.817 2.788 2.879 . 0 0 "[ . 1 . 2]" 2
59 1 74 TYR O 1 78 VAL H 1.850 . 1.950 1.980 1.972 2.000 0.050 6 0 "[ . 1 . 2]" 2
60 1 74 TYR O 1 78 VAL N 2.850 2.750 2.950 2.922 2.904 2.951 0.001 6 0 "[ . 1 . 2]" 2
61 1 78 VAL O 1 82 THR H 1.850 . 1.950 1.975 1.961 1.985 0.035 15 0 "[ . 1 . 2]" 2
62 1 78 VAL O 1 82 THR N 2.850 2.750 2.950 2.873 2.846 2.906 . 0 0 "[ . 1 . 2]" 2
63 1 81 LEU O 1 84 ALA H 1.850 . 1.950 1.990 1.979 2.000 0.050 3 0 "[ . 1 . 2]" 2
64 1 81 LEU O 1 84 ALA N 2.850 2.750 2.950 2.733 2.720 2.745 0.030 3 0 "[ . 1 . 2]" 2
65 1 84 ALA O 1 88 PHE H 1.850 . 1.950 1.970 1.957 1.997 0.047 6 0 "[ . 1 . 2]" 2
66 1 84 ALA O 1 88 PHE N 2.850 2.750 2.950 2.905 2.860 2.955 0.005 8 0 "[ . 1 . 2]" 2
67 1 85 MET O 1 89 PHE H 1.850 . 1.950 1.875 1.770 1.985 0.035 20 0 "[ . 1 . 2]" 2
68 1 85 MET O 1 89 PHE N 2.850 2.750 2.950 2.788 2.716 2.950 0.034 8 0 "[ . 1 . 2]" 2
69 1 88 PHE O 1 91 GLU H 1.850 . 1.950 1.970 1.963 1.977 0.027 20 0 "[ . 1 . 2]" 2
70 1 88 PHE O 1 91 GLU N 2.850 2.750 2.950 2.756 2.740 2.865 0.010 5 0 "[ . 1 . 2]" 2
71 2 2 SER O 2 6 THR H 1.850 . 1.950 1.963 1.919 1.976 0.026 9 0 "[ . 1 . 2]" 2
72 2 2 SER O 2 6 THR N 2.850 2.750 2.950 2.894 2.820 2.916 . 0 0 "[ . 1 . 2]" 2
73 2 3 GLU O 2 7 ALA H 1.850 . 1.950 1.917 1.816 1.969 0.019 7 0 "[ . 1 . 2]" 2
74 2 3 GLU O 2 7 ALA N 2.850 2.750 2.950 2.854 2.723 2.914 0.027 9 0 "[ . 1 . 2]" 2
75 2 4 LEU O 2 8 MET H 1.850 . 1.950 1.961 1.867 1.996 0.046 16 0 "[ . 1 . 2]" 2
76 2 4 LEU O 2 8 MET N 2.850 2.750 2.950 2.882 2.748 2.954 0.004 16 0 "[ . 1 . 2]" 2
77 2 8 MET O 2 11 LEU H 1.850 . 1.950 2.012 1.995 2.020 0.070 13 0 "[ . 1 . 2]" 2
78 2 8 MET O 2 11 LEU N 2.850 2.750 2.950 2.839 2.784 2.885 . 0 0 "[ . 1 . 2]" 2
79 2 11 LEU O 2 15 PHE H 1.850 . 1.950 1.971 1.960 1.982 0.032 4 0 "[ . 1 . 2]" 2
80 2 11 LEU O 2 15 PHE N 2.850 2.750 2.950 2.889 2.855 2.933 . 0 0 "[ . 1 . 2]" 2
81 2 12 ILE O 2 16 HIS H 1.850 . 1.950 1.842 1.769 1.966 0.016 9 0 "[ . 1 . 2]" 2
82 2 12 ILE O 2 16 HIS N 2.850 2.750 2.950 2.805 2.727 2.948 0.023 12 0 "[ . 1 . 2]" 2
83 2 13 ASN O 2 17 ALA H 1.850 . 1.950 1.971 1.965 1.979 0.029 18 0 "[ . 1 . 2]" 2
84 2 13 ASN O 2 17 ALA N 2.850 2.750 2.950 2.913 2.868 2.951 0.001 18 0 "[ . 1 . 2]" 2
85 2 14 VAL O 2 18 HIS H 1.850 . 1.950 1.883 1.783 1.958 0.008 14 0 "[ . 1 . 2]" 2
86 2 14 VAL O 2 18 HIS N 2.850 2.750 2.950 2.815 2.740 2.902 0.010 15 0 "[ . 1 . 2]" 2
87 2 15 PHE O 2 19 SER H 1.850 . 1.950 1.945 1.841 1.970 0.020 9 0 "[ . 1 . 2]" 2
88 2 15 PHE O 2 19 SER N 2.850 2.750 2.950 2.856 2.744 2.912 0.006 12 0 "[ . 1 . 2]" 2
89 2 16 HIS O 2 20 GLY H 1.850 . 1.950 1.960 1.952 1.981 0.031 15 0 "[ . 1 . 2]" 2
90 2 16 HIS O 2 20 GLY N 2.850 2.750 2.950 2.828 2.743 2.891 0.007 9 0 "[ . 1 . 2]" 2
91 2 29 SER O 2 33 LEU H 1.850 . 1.950 1.938 1.816 1.974 0.024 6 0 "[ . 1 . 2]" 2
92 2 29 SER O 2 33 LEU N 2.850 2.750 2.950 2.838 2.736 2.891 0.014 17 0 "[ . 1 . 2]" 2
93 2 30 LYS O 2 34 LYS H 1.850 . 1.950 1.825 1.748 1.982 0.032 18 0 "[ . 1 . 2]" 2
94 2 30 LYS O 2 34 LYS N 2.850 2.750 2.950 2.774 2.721 2.919 0.029 7 0 "[ . 1 . 2]" 2
95 2 32 GLU O 2 36 LEU H 1.850 . 1.950 1.936 1.867 1.968 0.018 8 0 "[ . 1 . 2]" 2
96 2 32 GLU O 2 36 LEU N 2.850 2.750 2.950 2.835 2.747 2.901 0.003 7 0 "[ . 1 . 2]" 2
97 2 33 LEU O 2 37 LEU H 1.850 . 1.950 1.939 1.777 1.969 0.019 5 0 "[ . 1 . 2]" 2
98 2 33 LEU O 2 37 LEU N 2.850 2.750 2.950 2.910 2.745 2.953 0.005 8 0 "[ . 1 . 2]" 2
99 2 34 LYS O 2 38 GLN H 1.850 . 1.950 1.959 1.854 1.978 0.028 2 0 "[ . 1 . 2]" 2
100 2 34 LYS O 2 38 GLN N 2.850 2.750 2.950 2.891 2.746 2.940 0.004 10 0 "[ . 1 . 2]" 2
101 2 36 LEU O 2 40 GLU H 1.850 . 1.950 1.961 1.952 1.979 0.029 10 0 "[ . 1 . 2]" 2
102 2 36 LEU O 2 40 GLU N 2.850 2.750 2.950 2.885 2.859 2.914 . 0 0 "[ . 1 . 2]" 2
103 2 37 LEU O 2 41 LEU H 1.850 . 1.950 1.907 1.840 1.971 0.021 7 0 "[ . 1 . 2]" 2
104 2 37 LEU O 2 41 LEU N 2.850 2.750 2.950 2.785 2.731 2.893 0.019 1 0 "[ . 1 . 2]" 2
105 2 41 LEU O 2 44 PHE H 1.850 . 1.950 1.978 1.963 1.987 0.037 2 0 "[ . 1 . 2]" 2
106 2 41 LEU O 2 44 PHE N 2.850 2.750 2.950 2.865 2.827 2.921 . 0 0 "[ . 1 . 2]" 2
107 2 42 SER O 2 45 LEU H 1.850 . 1.950 1.963 1.936 1.986 0.036 16 0 "[ . 1 . 2]" 2
108 2 42 SER O 2 45 LEU N 2.850 2.750 2.950 2.903 2.871 2.925 . 0 0 "[ . 1 . 2]" 2
109 2 48 GLN O 2 51 VAL H 1.850 . 1.950 1.950 1.770 1.999 0.049 2 0 "[ . 1 . 2]" 2
110 2 48 GLN O 2 51 VAL N 2.850 2.750 2.950 2.850 2.734 2.950 0.016 12 0 "[ . 1 . 2]" 2
111 2 49 LYS O 2 52 ASP H 1.850 . 1.950 1.920 1.810 1.978 0.028 2 0 "[ . 1 . 2]" 2
112 2 49 LYS O 2 52 ASP N 2.850 2.750 2.950 2.805 2.739 2.871 0.011 19 0 "[ . 1 . 2]" 2
113 2 50 ASP O 2 53 ALA H 1.850 . 1.950 1.963 1.932 1.987 0.037 9 0 "[ . 1 . 2]" 2
114 2 50 ASP O 2 53 ALA N 2.850 2.750 2.950 2.820 2.720 2.940 0.030 9 0 "[ . 1 . 2]" 2
115 2 51 VAL O 2 54 VAL H 1.850 . 1.950 1.910 1.873 1.975 0.025 9 0 "[ . 1 . 2]" 2
116 2 51 VAL O 2 54 VAL N 2.850 2.750 2.950 2.764 2.736 2.832 0.014 8 0 "[ . 1 . 2]" 2
117 2 52 ASP O 2 55 ASP H 1.850 . 1.950 1.973 1.952 1.995 0.045 2 0 "[ . 1 . 2]" 2
118 2 52 ASP O 2 55 ASP N 2.850 2.750 2.950 2.832 2.777 2.876 . 0 0 "[ . 1 . 2]" 2
119 2 53 ALA O 2 57 VAL H 1.850 . 1.950 1.978 1.951 1.997 0.047 12 0 "[ . 1 . 2]" 2
120 2 53 ALA O 2 57 VAL N 2.850 2.750 2.950 2.923 2.884 2.960 0.010 6 0 "[ . 1 . 2]" 2
121 2 58 MET O 2 62 ASP H 1.850 . 1.950 1.960 1.920 1.996 0.046 20 0 "[ . 1 . 2]" 2
122 2 58 MET O 2 62 ASP N 2.850 2.750 2.950 2.894 2.860 2.943 . 0 0 "[ . 1 . 2]" 2
123 2 70 ASP O 2 74 TYR H 1.850 . 1.950 1.875 1.785 1.959 0.009 20 0 "[ . 1 . 2]" 2
124 2 70 ASP O 2 74 TYR N 2.850 2.750 2.950 2.816 2.736 2.902 0.014 3 0 "[ . 1 . 2]" 2
125 2 71 PHE O 2 75 VAL H 1.850 . 1.950 1.932 1.874 1.960 0.010 16 0 "[ . 1 . 2]" 2
126 2 71 PHE O 2 75 VAL N 2.850 2.750 2.950 2.884 2.831 2.921 . 0 0 "[ . 1 . 2]" 2
127 2 73 GLU O 2 77 LEU H 1.850 . 1.950 1.966 1.953 1.979 0.029 4 0 "[ . 1 . 2]" 2
128 2 73 GLU O 2 77 LEU N 2.850 2.750 2.950 2.817 2.788 2.879 . 0 0 "[ . 1 . 2]" 2
129 2 74 TYR O 2 78 VAL H 1.850 . 1.950 1.980 1.972 2.001 0.051 6 0 "[ . 1 . 2]" 2
130 2 74 TYR O 2 78 VAL N 2.850 2.750 2.950 2.922 2.904 2.950 0.000 6 0 "[ . 1 . 2]" 2
131 2 78 VAL O 2 82 THR H 1.850 . 1.950 1.975 1.962 1.985 0.035 15 0 "[ . 1 . 2]" 2
132 2 78 VAL O 2 82 THR N 2.850 2.750 2.950 2.873 2.848 2.907 . 0 0 "[ . 1 . 2]" 2
133 2 81 LEU O 2 84 ALA H 1.850 . 1.950 1.990 1.980 2.001 0.051 3 0 "[ . 1 . 2]" 2
134 2 81 LEU O 2 84 ALA N 2.850 2.750 2.950 2.733 2.721 2.745 0.029 3 0 "[ . 1 . 2]" 2
135 2 84 ALA O 2 88 PHE H 1.850 . 1.950 1.970 1.958 1.997 0.047 6 0 "[ . 1 . 2]" 2
136 2 84 ALA O 2 88 PHE N 2.850 2.750 2.950 2.905 2.860 2.955 0.005 8 0 "[ . 1 . 2]" 2
137 2 85 MET O 2 89 PHE H 1.850 . 1.950 1.875 1.771 1.985 0.035 20 0 "[ . 1 . 2]" 2
138 2 85 MET O 2 89 PHE N 2.850 2.750 2.950 2.788 2.717 2.951 0.033 8 0 "[ . 1 . 2]" 2
139 2 88 PHE O 2 91 GLU H 1.850 . 1.950 1.969 1.963 1.976 0.026 20 0 "[ . 1 . 2]" 2
140 2 88 PHE O 2 91 GLU N 2.850 2.750 2.950 2.756 2.741 2.863 0.009 10 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 11:36:37 PM GMT (wattos1)