NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
516381 |
1xyd   |
5895 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xyd
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 1824
_Distance_constraint_stats_list.Viol_count 4530
_Distance_constraint_stats_list.Viol_total 7275.933
_Distance_constraint_stats_list.Viol_max 0.340
_Distance_constraint_stats_list.Viol_rms 0.0345
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0100
_Distance_constraint_stats_list.Viol_average_violations_only 0.0803
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 3.029 0.223 10 0 "[ . 1 . 2]"
1 3 GLU 1.540 0.114 19 0 "[ . 1 . 2]"
1 4 LEU 3.264 0.113 2 0 "[ . 1 . 2]"
1 5 GLU 1.176 0.142 17 0 "[ . 1 . 2]"
1 6 LYS 6.164 0.288 13 0 "[ . 1 . 2]"
1 7 ALA 5.873 0.288 13 0 "[ . 1 . 2]"
1 8 MET 4.672 0.172 3 0 "[ . 1 . 2]"
1 9 VAL 4.695 0.148 3 0 "[ . 1 . 2]"
1 10 ALA 0.172 0.063 10 0 "[ . 1 . 2]"
1 11 LEU 1.316 0.119 19 0 "[ . 1 . 2]"
1 12 ILE 8.998 0.264 6 0 "[ . 1 . 2]"
1 13 ASP 2.690 0.187 10 0 "[ . 1 . 2]"
1 14 VAL 5.153 0.206 5 0 "[ . 1 . 2]"
1 15 PHE 6.505 0.264 6 0 "[ . 1 . 2]"
1 16 HIS 0.092 0.053 16 0 "[ . 1 . 2]"
1 17 GLN 1.426 0.221 11 0 "[ . 1 . 2]"
1 18 TYR 2.867 0.221 11 0 "[ . 1 . 2]"
1 19 SER 1.049 0.133 15 0 "[ . 1 . 2]"
1 20 GLY 0.177 0.064 4 0 "[ . 1 . 2]"
1 21 ARG 2.766 0.097 7 0 "[ . 1 . 2]"
1 22 GLU 5.697 0.249 15 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 HIS 3.038 0.303 16 0 "[ . 1 . 2]"
1 27 LYS 2.136 0.150 11 0 "[ . 1 . 2]"
1 28 LEU 8.184 0.303 16 0 "[ . 1 . 2]"
1 29 LYS 3.482 0.249 15 0 "[ . 1 . 2]"
1 30 LYS 1.451 0.121 20 0 "[ . 1 . 2]"
1 31 SER 1.790 0.092 3 0 "[ . 1 . 2]"
1 32 GLU 5.999 0.286 3 0 "[ . 1 . 2]"
1 33 LEU 9.883 0.312 4 0 "[ . 1 . 2]"
1 34 LYS 6.062 0.207 9 0 "[ . 1 . 2]"
1 35 GLU 5.704 0.312 4 0 "[ . 1 . 2]"
1 36 LEU 4.280 0.277 20 0 "[ . 1 . 2]"
1 37 ILE 6.304 0.242 16 0 "[ . 1 . 2]"
1 38 ASN 1.187 0.092 10 0 "[ . 1 . 2]"
1 39 ASN 1.301 0.170 3 0 "[ . 1 . 2]"
1 40 GLU 1.496 0.148 10 0 "[ . 1 . 2]"
1 41 LEU 8.364 0.280 18 0 "[ . 1 . 2]"
1 42 SER 1.609 0.170 3 0 "[ . 1 . 2]"
1 43 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 PHE 0.871 0.150 15 0 "[ . 1 . 2]"
1 45 LEU 3.675 0.280 18 0 "[ . 1 . 2]"
1 46 GLU 0.816 0.150 15 0 "[ . 1 . 2]"
1 47 GLU 0.236 0.097 18 0 "[ . 1 . 2]"
1 48 ILE 4.465 0.242 16 0 "[ . 1 . 2]"
1 49 LYS 0.236 0.097 18 0 "[ . 1 . 2]"
1 50 GLU 1.388 0.149 6 0 "[ . 1 . 2]"
1 51 GLN 0.038 0.038 13 0 "[ . 1 . 2]"
1 52 GLU 7.331 0.340 9 0 "[ . 1 . 2]"
1 53 VAL 7.661 0.262 20 0 "[ . 1 . 2]"
1 54 VAL 13.637 0.340 9 0 "[ . 1 . 2]"
1 55 ASP 4.536 0.262 20 0 "[ . 1 . 2]"
1 56 LYS 3.947 0.188 13 0 "[ . 1 . 2]"
1 57 VAL 7.453 0.277 4 0 "[ . 1 . 2]"
1 58 MET 10.526 0.214 12 0 "[ . 1 . 2]"
1 59 GLU 4.211 0.139 18 0 "[ . 1 . 2]"
1 60 THR 6.941 0.167 17 0 "[ . 1 . 2]"
1 61 LEU 8.667 0.229 5 0 "[ . 1 . 2]"
1 62 ASP 9.591 0.259 13 0 "[ . 1 . 2]"
1 63 GLU 6.381 0.193 20 0 "[ . 1 . 2]"
1 64 ASP 0.594 0.047 2 0 "[ . 1 . 2]"
1 65 GLY 4.188 0.259 13 0 "[ . 1 . 2]"
1 66 ASP 6.106 0.214 12 0 "[ . 1 . 2]"
1 67 GLY 3.848 0.193 20 0 "[ . 1 . 2]"
1 68 GLU 0.432 0.066 13 0 "[ . 1 . 2]"
1 69 CYS 0.879 0.101 4 0 "[ . 1 . 2]"
1 70 ASP 0.309 0.064 10 0 "[ . 1 . 2]"
1 71 PHE 2.596 0.231 15 0 "[ . 1 . 2]"
1 72 GLN 8.817 0.283 17 0 "[ . 1 . 2]"
1 73 GLU 8.162 0.224 5 0 "[ . 1 . 2]"
1 74 PHE 6.453 0.212 19 0 "[ . 1 . 2]"
1 75 MET 3.721 0.190 6 0 "[ . 1 . 2]"
1 76 ALA 9.798 0.283 17 0 "[ . 1 . 2]"
1 77 PHE 5.148 0.190 6 0 "[ . 1 . 2]"
1 78 VAL 5.028 0.175 15 0 "[ . 1 . 2]"
1 79 SER 2.943 0.243 20 0 "[ . 1 . 2]"
1 80 MET 10.318 0.219 16 0 "[ . 1 . 2]"
1 81 VAL 9.927 0.212 3 0 "[ . 1 . 2]"
1 82 THR 6.437 0.243 20 0 "[ . 1 . 2]"
1 83 THR 15.181 0.225 15 0 "[ . 1 . 2]"
1 84 ALA 0.041 0.033 4 0 "[ . 1 . 2]"
1 85 CYS 3.109 0.206 8 0 "[ . 1 . 2]"
1 86 HIS 0.262 0.070 9 0 "[ . 1 . 2]"
1 87 GLU 1.737 0.122 9 0 "[ . 1 . 2]"
1 88 PHE 1.062 0.080 3 0 "[ . 1 . 2]"
1 89 PHE 0.851 0.174 12 0 "[ . 1 . 2]"
1 90 GLU 0.866 0.117 19 0 "[ . 1 . 2]"
1 91 HIS 0.442 0.174 12 0 "[ . 1 . 2]"
1 92 GLU 0.866 0.117 19 0 "[ . 1 . 2]"
2 2 SER 3.086 0.219 10 0 "[ . 1 . 2]"
2 3 GLU 1.536 0.119 19 0 "[ . 1 . 2]"
2 4 LEU 3.268 0.125 2 0 "[ . 1 . 2]"
2 5 GLU 1.179 0.147 17 0 "[ . 1 . 2]"
2 6 LYS 6.218 0.285 13 0 "[ . 1 . 2]"
2 7 ALA 5.740 0.285 13 0 "[ . 1 . 2]"
2 8 MET 4.685 0.175 15 0 "[ . 1 . 2]"
2 9 VAL 4.588 0.147 17 0 "[ . 1 . 2]"
2 10 ALA 0.168 0.064 10 0 "[ . 1 . 2]"
2 11 LEU 1.276 0.114 19 0 "[ . 1 . 2]"
2 12 ILE 8.968 0.264 6 0 "[ . 1 . 2]"
2 13 ASP 2.714 0.188 10 0 "[ . 1 . 2]"
2 14 VAL 5.103 0.205 5 0 "[ . 1 . 2]"
2 15 PHE 6.514 0.264 6 0 "[ . 1 . 2]"
2 16 HIS 0.082 0.048 16 0 "[ . 1 . 2]"
2 17 GLN 1.433 0.220 11 0 "[ . 1 . 2]"
2 18 TYR 2.850 0.220 11 0 "[ . 1 . 2]"
2 19 SER 1.050 0.136 15 0 "[ . 1 . 2]"
2 20 GLY 0.174 0.063 4 0 "[ . 1 . 2]"
2 21 ARG 2.656 0.099 7 0 "[ . 1 . 2]"
2 22 GLU 5.661 0.252 15 0 "[ . 1 . 2]"
2 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 HIS 3.036 0.302 16 0 "[ . 1 . 2]"
2 27 LYS 2.154 0.147 4 0 "[ . 1 . 2]"
2 28 LEU 8.065 0.302 16 0 "[ . 1 . 2]"
2 29 LYS 3.476 0.252 15 0 "[ . 1 . 2]"
2 30 LYS 1.464 0.114 20 0 "[ . 1 . 2]"
2 31 SER 1.671 0.091 2 0 "[ . 1 . 2]"
2 32 GLU 6.024 0.283 3 0 "[ . 1 . 2]"
2 33 LEU 9.582 0.312 4 0 "[ . 1 . 2]"
2 34 LYS 6.116 0.204 9 0 "[ . 1 . 2]"
2 35 GLU 5.659 0.312 4 0 "[ . 1 . 2]"
2 36 LEU 4.251 0.276 20 0 "[ . 1 . 2]"
2 37 ILE 6.272 0.245 16 0 "[ . 1 . 2]"
2 38 ASN 1.194 0.091 13 0 "[ . 1 . 2]"
2 39 ASN 1.325 0.159 3 0 "[ . 1 . 2]"
2 40 GLU 1.460 0.137 10 0 "[ . 1 . 2]"
2 41 LEU 8.345 0.282 18 0 "[ . 1 . 2]"
2 42 SER 1.616 0.159 3 0 "[ . 1 . 2]"
2 43 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 44 PHE 0.812 0.150 15 0 "[ . 1 . 2]"
2 45 LEU 3.602 0.282 18 0 "[ . 1 . 2]"
2 46 GLU 0.783 0.150 15 0 "[ . 1 . 2]"
2 47 GLU 0.254 0.096 18 0 "[ . 1 . 2]"
2 48 ILE 4.508 0.245 16 0 "[ . 1 . 2]"
2 49 LYS 0.254 0.096 18 0 "[ . 1 . 2]"
2 50 GLU 1.373 0.137 6 0 "[ . 1 . 2]"
2 51 GLN 0.051 0.051 13 0 "[ . 1 . 2]"
2 52 GLU 7.350 0.339 9 0 "[ . 1 . 2]"
2 53 VAL 7.633 0.262 20 0 "[ . 1 . 2]"
2 54 VAL 13.676 0.339 9 0 "[ . 1 . 2]"
2 55 ASP 4.554 0.262 20 0 "[ . 1 . 2]"
2 56 LYS 3.976 0.181 13 0 "[ . 1 . 2]"
2 57 VAL 7.557 0.273 4 0 "[ . 1 . 2]"
2 58 MET 10.546 0.222 12 0 "[ . 1 . 2]"
2 59 GLU 4.164 0.141 18 0 "[ . 1 . 2]"
2 60 THR 6.868 0.167 5 0 "[ . 1 . 2]"
2 61 LEU 8.647 0.224 5 0 "[ . 1 . 2]"
2 62 ASP 9.542 0.263 13 0 "[ . 1 . 2]"
2 63 GLU 6.375 0.192 20 0 "[ . 1 . 2]"
2 64 ASP 0.595 0.049 2 0 "[ . 1 . 2]"
2 65 GLY 4.202 0.263 13 0 "[ . 1 . 2]"
2 66 ASP 6.072 0.222 12 0 "[ . 1 . 2]"
2 67 GLY 3.876 0.192 20 0 "[ . 1 . 2]"
2 68 GLU 0.472 0.065 6 0 "[ . 1 . 2]"
2 69 CYS 0.887 0.098 4 0 "[ . 1 . 2]"
2 70 ASP 0.326 0.070 11 0 "[ . 1 . 2]"
2 71 PHE 2.676 0.225 15 0 "[ . 1 . 2]"
2 72 GLN 8.861 0.286 17 0 "[ . 1 . 2]"
2 73 GLU 8.185 0.229 5 0 "[ . 1 . 2]"
2 74 PHE 6.526 0.216 19 0 "[ . 1 . 2]"
2 75 MET 3.738 0.193 6 0 "[ . 1 . 2]"
2 76 ALA 9.816 0.286 17 0 "[ . 1 . 2]"
2 77 PHE 5.139 0.193 6 0 "[ . 1 . 2]"
2 78 VAL 4.810 0.172 3 0 "[ . 1 . 2]"
2 79 SER 2.955 0.244 20 0 "[ . 1 . 2]"
2 80 MET 10.377 0.225 16 0 "[ . 1 . 2]"
2 81 VAL 9.946 0.203 3 0 "[ . 1 . 2]"
2 82 THR 6.491 0.244 20 0 "[ . 1 . 2]"
2 83 THR 15.070 0.231 15 0 "[ . 1 . 2]"
2 84 ALA 0.041 0.034 4 0 "[ . 1 . 2]"
2 85 CYS 3.116 0.202 8 0 "[ . 1 . 2]"
2 86 HIS 0.343 0.079 9 0 "[ . 1 . 2]"
2 87 GLU 1.746 0.121 9 0 "[ . 1 . 2]"
2 88 PHE 1.070 0.078 8 0 "[ . 1 . 2]"
2 89 PHE 0.831 0.177 12 0 "[ . 1 . 2]"
2 90 GLU 0.879 0.118 19 0 "[ . 1 . 2]"
2 91 HIS 0.434 0.177 12 0 "[ . 1 . 2]"
2 92 GLU 0.879 0.118 19 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 H 1 3 GLU H 1.800 . 6.000 3.875 2.200 4.622 . 0 0 "[ . 1 . 2]" 1
2 2 2 SER H 2 3 GLU H 1.800 . 6.000 3.876 2.198 4.620 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER HA 1 3 GLU H 1.800 . 4.200 2.512 2.194 3.228 . 0 0 "[ . 1 . 2]" 1
4 2 2 SER HA 2 3 GLU H 1.800 . 4.200 2.511 2.193 3.227 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER QB 1 3 GLU H 1.800 . 4.200 3.337 1.804 4.033 . 0 0 "[ . 1 . 2]" 1
6 2 2 SER QB 2 3 GLU H 1.800 . 4.200 3.338 1.807 4.034 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLU H 1 4 LEU H 1.800 . 5.000 2.746 2.604 2.841 . 0 0 "[ . 1 . 2]" 1
8 2 3 GLU H 2 4 LEU H 1.800 . 5.000 2.747 2.612 2.840 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLU HA 1 4 LEU H 1.800 . 5.000 3.503 3.443 3.547 . 0 0 "[ . 1 . 2]" 1
10 2 3 GLU HA 2 4 LEU H 1.800 . 5.000 3.504 3.445 3.546 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLU QG 1 4 LEU H 1.800 . 4.200 4.209 4.022 4.277 0.077 7 0 "[ . 1 . 2]" 1
12 2 3 GLU QG 2 4 LEU H 1.800 . 4.200 4.205 4.023 4.272 0.072 7 0 "[ . 1 . 2]" 1
13 1 4 LEU HA 1 5 GLU H 1.800 . 4.200 3.483 3.446 3.517 . 0 0 "[ . 1 . 2]" 1
14 2 4 LEU HA 2 5 GLU H 1.800 . 4.200 3.485 3.448 3.518 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU QB 1 5 GLU H 1.800 . 4.200 3.039 2.864 3.136 . 0 0 "[ . 1 . 2]" 1
16 2 4 LEU QB 2 5 GLU H 1.800 . 4.200 3.038 2.867 3.134 . 0 0 "[ . 1 . 2]" 1
17 1 4 LEU HG 1 5 GLU H 1.800 . 6.000 5.261 3.949 5.591 . 0 0 "[ . 1 . 2]" 1
18 2 4 LEU HG 2 5 GLU H 1.800 . 6.000 5.262 3.950 5.586 . 0 0 "[ . 1 . 2]" 1
19 1 4 LEU QD 1 5 GLU H 1.800 . 5.000 4.029 3.516 4.375 . 0 0 "[ . 1 . 2]" 1
20 2 4 LEU QD 2 5 GLU H 1.800 . 5.000 4.026 3.512 4.361 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLU H 1 6 LYS H 1.800 . 3.500 2.434 2.255 2.706 . 0 0 "[ . 1 . 2]" 1
22 2 5 GLU H 2 6 LYS H 1.800 . 3.500 2.434 2.254 2.703 . 0 0 "[ . 1 . 2]" 1
23 1 5 GLU QB 1 6 LYS H 1.800 . 4.200 2.775 2.352 2.998 . 0 0 "[ . 1 . 2]" 1
24 2 5 GLU QB 2 6 LYS H 1.800 . 4.200 2.772 2.362 2.985 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLU QG 1 6 LYS H 1.800 . 4.200 3.863 3.345 4.278 0.078 3 0 "[ . 1 . 2]" 1
26 2 5 GLU QG 2 6 LYS H 1.800 . 4.200 3.863 3.359 4.270 0.070 3 0 "[ . 1 . 2]" 1
27 1 6 LYS H 1 7 ALA H 1.800 . 3.500 2.612 2.557 2.769 . 0 0 "[ . 1 . 2]" 1
28 2 6 LYS H 2 7 ALA H 1.800 . 3.500 2.610 2.562 2.759 . 0 0 "[ . 1 . 2]" 1
29 1 6 LYS HA 1 7 ALA H 1.800 . 4.200 3.555 3.515 3.587 . 0 0 "[ . 1 . 2]" 1
30 2 6 LYS HA 2 7 ALA H 1.800 . 4.200 3.554 3.515 3.586 . 0 0 "[ . 1 . 2]" 1
31 1 6 LYS QB 1 7 ALA H 1.800 . 3.500 2.479 2.271 2.641 . 0 0 "[ . 1 . 2]" 1
32 2 6 LYS QB 2 7 ALA H 1.800 . 3.500 2.479 2.272 2.637 . 0 0 "[ . 1 . 2]" 1
33 1 6 LYS QG 1 7 ALA H 1.800 . 4.200 4.088 3.351 4.488 0.288 13 0 "[ . 1 . 2]" 1
34 2 6 LYS QG 2 7 ALA H 1.800 . 4.200 4.088 3.352 4.485 0.285 13 0 "[ . 1 . 2]" 1
35 1 6 LYS QE 1 7 ALA H 1.800 . 5.000 4.771 4.109 5.218 0.218 11 0 "[ . 1 . 2]" 1
36 2 6 LYS QE 2 7 ALA H 1.800 . 5.000 4.770 4.114 5.215 0.215 11 0 "[ . 1 . 2]" 1
37 1 7 ALA HA 1 8 MET H 1.800 . 3.500 3.567 3.543 3.583 0.083 17 0 "[ . 1 . 2]" 1
38 2 7 ALA HA 2 8 MET H 1.800 . 3.500 3.566 3.539 3.586 0.086 17 0 "[ . 1 . 2]" 1
39 1 7 ALA MB 1 8 MET H 1.800 . 4.200 2.261 2.170 2.405 . 0 0 "[ . 1 . 2]" 1
40 2 7 ALA MB 2 8 MET H 1.800 . 4.200 2.273 2.171 2.454 . 0 0 "[ . 1 . 2]" 1
41 1 8 MET QB 1 9 VAL H 1.800 . 4.200 2.710 2.441 3.568 . 0 0 "[ . 1 . 2]" 1
42 2 8 MET QB 2 9 VAL H 1.800 . 4.200 2.713 2.466 3.569 . 0 0 "[ . 1 . 2]" 1
43 1 8 MET QG 1 9 VAL H 1.800 . 4.200 3.863 2.289 4.208 0.008 4 0 "[ . 1 . 2]" 1
44 2 8 MET QG 2 9 VAL H 1.800 . 4.200 3.865 2.291 4.210 0.010 4 0 "[ . 1 . 2]" 1
45 1 9 VAL H 1 10 ALA H 1.800 . 3.500 2.578 2.368 2.752 . 0 0 "[ . 1 . 2]" 1
46 2 9 VAL H 2 10 ALA H 1.800 . 3.500 2.578 2.370 2.754 . 0 0 "[ . 1 . 2]" 1
47 1 9 VAL HA 1 10 ALA H 1.800 . 5.000 3.545 3.524 3.566 . 0 0 "[ . 1 . 2]" 1
48 2 9 VAL HA 2 10 ALA H 1.800 . 5.000 3.545 3.528 3.568 . 0 0 "[ . 1 . 2]" 1
49 1 9 VAL HB 1 10 ALA H 1.800 . 4.200 2.545 2.384 2.674 . 0 0 "[ . 1 . 2]" 1
50 2 9 VAL HB 2 10 ALA H 1.800 . 4.200 2.547 2.390 2.686 . 0 0 "[ . 1 . 2]" 1
51 1 9 VAL MG1 1 10 ALA H 1.800 . 6.000 3.074 2.637 3.353 . 0 0 "[ . 1 . 2]" 1
52 2 9 VAL MG1 2 10 ALA H 1.800 . 6.000 3.075 2.638 3.384 . 0 0 "[ . 1 . 2]" 1
53 1 9 VAL MG2 1 10 ALA H 1.800 . 6.000 3.924 3.838 4.017 . 0 0 "[ . 1 . 2]" 1
54 2 9 VAL MG2 2 10 ALA H 1.800 . 6.000 3.926 3.858 4.029 . 0 0 "[ . 1 . 2]" 1
55 1 10 ALA H 1 11 LEU H 1.800 . 3.500 2.742 2.625 2.897 . 0 0 "[ . 1 . 2]" 1
56 2 10 ALA H 2 11 LEU H 1.800 . 3.500 2.742 2.608 2.895 . 0 0 "[ . 1 . 2]" 1
57 1 10 ALA MB 1 11 LEU H 1.800 . 4.200 2.698 2.593 2.805 . 0 0 "[ . 1 . 2]" 1
58 2 10 ALA MB 2 11 LEU H 1.800 . 4.200 2.703 2.612 2.848 . 0 0 "[ . 1 . 2]" 1
59 1 11 LEU H 1 12 ILE H 1.800 . 3.500 2.628 2.594 2.670 . 0 0 "[ . 1 . 2]" 1
60 2 11 LEU H 2 12 ILE H 1.800 . 3.500 2.628 2.594 2.675 . 0 0 "[ . 1 . 2]" 1
61 1 11 LEU HA 1 12 ILE H 1.800 . 5.000 3.586 3.572 3.603 . 0 0 "[ . 1 . 2]" 1
62 2 11 LEU HA 2 12 ILE H 1.800 . 5.000 3.587 3.571 3.603 . 0 0 "[ . 1 . 2]" 1
63 1 11 LEU QB 1 12 ILE H 1.800 . 5.000 2.596 2.402 2.697 . 0 0 "[ . 1 . 2]" 1
64 2 11 LEU QB 2 12 ILE H 1.800 . 5.000 2.595 2.401 2.696 . 0 0 "[ . 1 . 2]" 1
65 1 11 LEU MD1 1 12 ILE H 1.800 . 6.000 4.314 4.142 4.644 . 0 0 "[ . 1 . 2]" 1
66 2 11 LEU MD1 2 12 ILE H 1.800 . 6.000 4.312 4.148 4.643 . 0 0 "[ . 1 . 2]" 1
67 1 11 LEU MD2 1 12 ILE H 1.800 . 6.000 4.676 4.579 4.773 . 0 0 "[ . 1 . 2]" 1
68 2 11 LEU MD2 2 12 ILE H 1.800 . 6.000 4.672 4.557 4.768 . 0 0 "[ . 1 . 2]" 1
69 1 12 ILE H 1 13 ASP H 1.800 . 4.200 2.891 2.837 3.058 . 0 0 "[ . 1 . 2]" 1
70 2 12 ILE H 2 13 ASP H 1.800 . 4.200 2.891 2.836 3.060 . 0 0 "[ . 1 . 2]" 1
71 1 12 ILE HA 1 13 ASP H 1.800 . 5.000 3.532 3.504 3.596 . 0 0 "[ . 1 . 2]" 1
72 2 12 ILE HA 2 13 ASP H 1.800 . 5.000 3.533 3.502 3.596 . 0 0 "[ . 1 . 2]" 1
73 1 12 ILE HB 1 13 ASP H 1.800 . 4.200 2.860 2.547 3.114 . 0 0 "[ . 1 . 2]" 1
74 2 12 ILE HB 2 13 ASP H 1.800 . 4.200 2.860 2.544 3.107 . 0 0 "[ . 1 . 2]" 1
75 1 12 ILE QG 1 13 ASP H 1.800 . 4.200 4.255 4.173 4.387 0.187 10 0 "[ . 1 . 2]" 1
76 2 12 ILE QG 2 13 ASP H 1.800 . 4.200 4.255 4.172 4.388 0.188 10 0 "[ . 1 . 2]" 1
77 1 12 ILE MG 1 13 ASP H 1.800 . 5.000 3.297 2.148 3.503 . 0 0 "[ . 1 . 2]" 1
78 2 12 ILE MG 2 13 ASP H 1.800 . 5.000 3.296 2.150 3.502 . 0 0 "[ . 1 . 2]" 1
79 1 12 ILE MD 1 13 ASP H 1.800 . 5.000 4.731 4.539 4.895 . 0 0 "[ . 1 . 2]" 1
80 2 12 ILE MD 2 13 ASP H 1.800 . 5.000 4.727 4.530 4.891 . 0 0 "[ . 1 . 2]" 1
81 1 13 ASP HA 1 14 VAL H 1.800 . 6.000 3.574 3.561 3.599 . 0 0 "[ . 1 . 2]" 1
82 2 13 ASP HA 2 14 VAL H 1.800 . 6.000 3.574 3.562 3.596 . 0 0 "[ . 1 . 2]" 1
83 1 13 ASP QB 1 14 VAL H 1.800 . 5.000 2.349 2.283 2.442 . 0 0 "[ . 1 . 2]" 1
84 2 13 ASP QB 2 14 VAL H 1.800 . 5.000 2.348 2.258 2.440 . 0 0 "[ . 1 . 2]" 1
85 1 14 VAL H 1 15 PHE H 1.800 . 4.200 2.449 2.371 2.511 . 0 0 "[ . 1 . 2]" 1
86 2 14 VAL H 2 15 PHE H 1.800 . 4.200 2.449 2.370 2.510 . 0 0 "[ . 1 . 2]" 1
87 1 14 VAL HA 1 15 PHE H 1.800 . 4.200 3.475 3.443 3.515 . 0 0 "[ . 1 . 2]" 1
88 2 14 VAL HA 2 15 PHE H 1.800 . 4.200 3.476 3.445 3.518 . 0 0 "[ . 1 . 2]" 1
89 1 14 VAL MG1 1 15 PHE H 1.800 . 5.000 3.862 3.564 4.040 . 0 0 "[ . 1 . 2]" 1
90 2 14 VAL MG1 2 15 PHE H 1.800 . 5.000 3.859 3.564 4.039 . 0 0 "[ . 1 . 2]" 1
91 1 14 VAL MG2 1 15 PHE H 1.800 . 5.000 3.818 3.664 4.094 . 0 0 "[ . 1 . 2]" 1
92 2 14 VAL MG2 2 15 PHE H 1.800 . 5.000 3.818 3.651 4.093 . 0 0 "[ . 1 . 2]" 1
93 1 15 PHE H 1 16 HIS H 1.800 . 5.000 2.694 2.611 2.944 . 0 0 "[ . 1 . 2]" 1
94 2 15 PHE H 2 16 HIS H 1.800 . 5.000 2.696 2.613 2.943 . 0 0 "[ . 1 . 2]" 1
95 1 15 PHE HA 1 16 HIS H 1.800 . 5.000 3.581 3.565 3.607 . 0 0 "[ . 1 . 2]" 1
96 2 15 PHE HA 2 16 HIS H 1.800 . 5.000 3.581 3.568 3.608 . 0 0 "[ . 1 . 2]" 1
97 1 15 PHE QB 1 16 HIS H 1.800 . 6.000 2.588 2.415 2.727 . 0 0 "[ . 1 . 2]" 1
98 2 15 PHE QB 2 16 HIS H 1.800 . 6.000 2.584 2.423 2.730 . 0 0 "[ . 1 . 2]" 1
99 1 16 HIS H 1 17 GLN H 1.800 . 3.500 2.567 2.526 2.649 . 0 0 "[ . 1 . 2]" 1
100 2 16 HIS H 2 17 GLN H 1.800 . 3.500 2.567 2.529 2.643 . 0 0 "[ . 1 . 2]" 1
101 1 16 HIS QB 1 17 GLN H 1.800 . 4.200 2.807 2.680 3.067 . 0 0 "[ . 1 . 2]" 1
102 2 16 HIS QB 2 17 GLN H 1.800 . 4.200 2.806 2.681 3.063 . 0 0 "[ . 1 . 2]" 1
103 1 17 GLN H 1 18 TYR H 1.800 . 3.500 2.691 2.619 2.925 . 0 0 "[ . 1 . 2]" 1
104 2 17 GLN H 2 18 TYR H 1.800 . 3.500 2.691 2.617 2.929 . 0 0 "[ . 1 . 2]" 1
105 1 17 GLN HA 1 18 TYR H 1.800 . 5.000 3.551 3.516 3.570 . 0 0 "[ . 1 . 2]" 1
106 2 17 GLN HA 2 18 TYR H 1.800 . 5.000 3.551 3.516 3.570 . 0 0 "[ . 1 . 2]" 1
107 1 17 GLN QB 1 18 TYR H 1.800 . 5.000 2.626 2.524 2.709 . 0 0 "[ . 1 . 2]" 1
108 2 17 GLN QB 2 18 TYR H 1.800 . 5.000 2.626 2.523 2.712 . 0 0 "[ . 1 . 2]" 1
109 1 17 GLN QG 1 18 TYR H 1.800 . 4.200 4.127 3.219 4.421 0.221 11 0 "[ . 1 . 2]" 1
110 2 17 GLN QG 2 18 TYR H 1.800 . 4.200 4.129 3.224 4.420 0.220 11 0 "[ . 1 . 2]" 1
111 1 18 TYR H 1 19 SER H 1.800 . 6.000 2.555 2.486 2.651 . 0 0 "[ . 1 . 2]" 1
112 2 18 TYR H 2 19 SER H 1.800 . 6.000 2.555 2.489 2.650 . 0 0 "[ . 1 . 2]" 1
113 1 18 TYR HA 1 19 SER H 1.800 . 6.000 3.590 3.561 3.604 . 0 0 "[ . 1 . 2]" 1
114 2 18 TYR HA 2 19 SER H 1.800 . 6.000 3.591 3.562 3.605 . 0 0 "[ . 1 . 2]" 1
115 1 18 TYR QB 1 19 SER H 1.800 . 6.000 2.386 2.293 2.672 . 0 0 "[ . 1 . 2]" 1
116 2 18 TYR QB 2 19 SER H 1.800 . 6.000 2.388 2.294 2.677 . 0 0 "[ . 1 . 2]" 1
117 1 19 SER H 1 20 GLY H 1.800 . 3.500 2.675 2.611 2.768 . 0 0 "[ . 1 . 2]" 1
118 2 19 SER H 2 20 GLY H 1.800 . 3.500 2.674 2.609 2.769 . 0 0 "[ . 1 . 2]" 1
119 1 19 SER QB 1 20 GLY H 1.800 . 3.500 3.083 2.759 3.564 0.064 4 0 "[ . 1 . 2]" 1
120 2 19 SER QB 2 20 GLY H 1.800 . 3.500 3.085 2.775 3.563 0.063 4 0 "[ . 1 . 2]" 1
121 1 20 GLY H 1 21 ARG H 1.800 . 3.500 2.420 2.311 2.664 . 0 0 "[ . 1 . 2]" 1
122 2 20 GLY H 2 21 ARG H 1.800 . 3.500 2.420 2.310 2.663 . 0 0 "[ . 1 . 2]" 1
123 1 20 GLY QA 1 21 ARG H 1.800 . 4.200 2.965 2.953 2.991 . 0 0 "[ . 1 . 2]" 1
124 2 20 GLY QA 2 21 ARG H 1.800 . 4.200 2.966 2.954 2.992 . 0 0 "[ . 1 . 2]" 1
125 1 21 ARG H 1 22 GLU H 1.800 . 3.500 2.672 2.591 2.766 . 0 0 "[ . 1 . 2]" 1
126 2 21 ARG H 2 22 GLU H 1.800 . 3.500 2.672 2.594 2.768 . 0 0 "[ . 1 . 2]" 1
127 1 21 ARG HA 1 22 GLU H 1.800 . 3.500 3.549 3.527 3.593 0.093 15 0 "[ . 1 . 2]" 1
128 2 21 ARG HA 2 22 GLU H 1.800 . 3.500 3.549 3.523 3.592 0.092 15 0 "[ . 1 . 2]" 1
129 1 21 ARG QB 1 22 GLU H 1.800 . 3.500 2.494 2.269 3.536 0.036 11 0 "[ . 1 . 2]" 1
130 2 21 ARG QB 2 22 GLU H 1.800 . 3.500 2.500 2.267 3.537 0.037 11 0 "[ . 1 . 2]" 1
131 1 21 ARG QG 1 22 GLU H 1.800 . 4.200 3.485 1.879 3.721 . 0 0 "[ . 1 . 2]" 1
132 2 21 ARG QG 2 22 GLU H 1.800 . 4.200 3.477 1.878 3.723 . 0 0 "[ . 1 . 2]" 1
133 1 21 ARG QD 1 22 GLU H 1.800 . 4.200 4.191 3.706 4.297 0.097 7 0 "[ . 1 . 2]" 1
134 2 21 ARG QD 2 22 GLU H 1.800 . 4.200 4.193 3.702 4.299 0.099 7 0 "[ . 1 . 2]" 1
135 1 25 LYS HA 1 26 HIS H 1.800 . 6.000 3.228 2.249 3.577 . 0 0 "[ . 1 . 2]" 1
136 2 25 LYS HA 2 26 HIS H 1.800 . 6.000 3.228 2.247 3.577 . 0 0 "[ . 1 . 2]" 1
137 1 25 LYS QB 1 26 HIS H 1.800 . 6.000 3.042 2.217 3.391 . 0 0 "[ . 1 . 2]" 1
138 2 25 LYS QB 2 26 HIS H 1.800 . 6.000 3.043 2.215 3.397 . 0 0 "[ . 1 . 2]" 1
139 1 26 HIS H 1 27 LYS H 1.800 . 4.200 2.736 2.462 3.207 . 0 0 "[ . 1 . 2]" 1
140 2 26 HIS H 2 27 LYS H 1.800 . 4.200 2.733 2.463 3.199 . 0 0 "[ . 1 . 2]" 1
141 1 26 HIS HA 1 27 LYS H 1.800 . 4.200 2.824 2.487 3.343 . 0 0 "[ . 1 . 2]" 1
142 2 26 HIS HA 2 27 LYS H 1.800 . 4.200 2.825 2.490 3.341 . 0 0 "[ . 1 . 2]" 1
143 1 26 HIS QB 1 27 LYS H 1.800 . 5.000 3.860 3.320 4.068 . 0 0 "[ . 1 . 2]" 1
144 2 26 HIS QB 2 27 LYS H 1.800 . 5.000 3.861 3.319 4.067 . 0 0 "[ . 1 . 2]" 1
145 1 27 LYS H 1 28 LEU H 1.800 . 6.000 4.385 4.353 4.432 . 0 0 "[ . 1 . 2]" 1
146 2 27 LYS H 2 28 LEU H 1.800 . 6.000 4.385 4.349 4.433 . 0 0 "[ . 1 . 2]" 1
147 1 27 LYS HA 1 28 LEU H 1.800 . 4.200 2.285 2.216 2.361 . 0 0 "[ . 1 . 2]" 1
148 2 27 LYS HA 2 28 LEU H 1.800 . 4.200 2.284 2.218 2.359 . 0 0 "[ . 1 . 2]" 1
149 1 27 LYS QB 1 28 LEU H 1.800 . 4.200 3.203 2.736 3.716 . 0 0 "[ . 1 . 2]" 1
150 2 27 LYS QB 2 28 LEU H 1.800 . 4.200 3.202 2.740 3.718 . 0 0 "[ . 1 . 2]" 1
151 1 27 LYS QG 1 28 LEU H 1.800 . 4.200 3.124 2.077 4.341 0.141 13 0 "[ . 1 . 2]" 1
152 2 27 LYS QG 2 28 LEU H 1.800 . 4.200 3.122 2.075 4.340 0.140 13 0 "[ . 1 . 2]" 1
153 1 27 LYS QE 1 28 LEU H 1.800 . 5.000 4.604 2.018 5.088 0.088 6 0 "[ . 1 . 2]" 1
154 2 27 LYS QE 2 28 LEU H 1.800 . 5.000 4.602 2.020 5.089 0.089 6 0 "[ . 1 . 2]" 1
155 1 28 LEU H 1 29 LYS H 1.800 . 6.000 4.486 4.446 4.524 . 0 0 "[ . 1 . 2]" 1
156 2 28 LEU H 2 29 LYS H 1.800 . 6.000 4.486 4.443 4.522 . 0 0 "[ . 1 . 2]" 1
157 1 28 LEU HA 1 29 LYS H 1.800 . 3.500 2.121 2.030 2.165 . 0 0 "[ . 1 . 2]" 1
158 2 28 LEU HA 2 29 LYS H 1.800 . 3.500 2.122 2.043 2.166 . 0 0 "[ . 1 . 2]" 1
159 1 28 LEU QB 1 29 LYS H 1.800 . 4.200 3.468 2.974 3.822 . 0 0 "[ . 1 . 2]" 1
160 2 28 LEU QB 2 29 LYS H 1.800 . 4.200 3.473 2.993 3.821 . 0 0 "[ . 1 . 2]" 1
161 1 28 LEU QD 1 29 LYS H 1.800 . 6.000 3.189 2.206 4.004 . 0 0 "[ . 1 . 2]" 1
162 2 28 LEU QD 2 29 LYS H 1.800 . 6.000 3.189 2.190 4.007 . 0 0 "[ . 1 . 2]" 1
163 1 29 LYS HA 1 30 LYS H 1.800 . 4.200 2.385 2.324 2.437 . 0 0 "[ . 1 . 2]" 1
164 2 29 LYS HA 2 30 LYS H 1.800 . 4.200 2.385 2.326 2.435 . 0 0 "[ . 1 . 2]" 1
165 1 29 LYS QB 1 30 LYS H 1.800 . 4.200 2.742 2.641 2.965 . 0 0 "[ . 1 . 2]" 1
166 2 29 LYS QB 2 30 LYS H 1.800 . 4.200 2.742 2.650 2.964 . 0 0 "[ . 1 . 2]" 1
167 1 29 LYS QG 1 30 LYS H 1.800 . 5.000 4.134 3.682 4.728 . 0 0 "[ . 1 . 2]" 1
168 2 29 LYS QG 2 30 LYS H 1.800 . 5.000 4.132 3.684 4.728 . 0 0 "[ . 1 . 2]" 1
169 1 29 LYS QD 1 30 LYS H 1.800 . 5.000 4.747 4.400 5.079 0.079 18 0 "[ . 1 . 2]" 1
170 2 29 LYS QD 2 30 LYS H 1.800 . 5.000 4.747 4.400 5.079 0.079 18 0 "[ . 1 . 2]" 1
171 1 31 SER HA 1 32 GLU H 1.800 . 4.200 3.394 3.352 3.447 . 0 0 "[ . 1 . 2]" 1
172 2 31 SER HA 2 32 GLU H 1.800 . 4.200 3.394 3.353 3.450 . 0 0 "[ . 1 . 2]" 1
173 1 31 SER QB 1 32 GLU H 1.800 . 4.200 3.147 2.982 3.623 . 0 0 "[ . 1 . 2]" 1
174 2 31 SER QB 2 32 GLU H 1.800 . 4.200 3.146 2.985 3.622 . 0 0 "[ . 1 . 2]" 1
175 1 32 GLU H 1 33 LEU H 1.800 . 3.500 2.155 2.021 2.249 . 0 0 "[ . 1 . 2]" 1
176 2 32 GLU H 2 33 LEU H 1.800 . 3.500 2.155 2.022 2.249 . 0 0 "[ . 1 . 2]" 1
177 1 32 GLU HA 1 33 LEU H 1.800 . 3.500 3.534 3.469 3.556 0.056 16 0 "[ . 1 . 2]" 1
178 2 32 GLU HA 2 33 LEU H 1.800 . 3.500 3.534 3.471 3.557 0.057 10 0 "[ . 1 . 2]" 1
179 1 32 GLU QB 1 33 LEU H 1.800 . 4.200 2.614 2.375 2.915 . 0 0 "[ . 1 . 2]" 1
180 2 32 GLU QB 2 33 LEU H 1.800 . 4.200 2.615 2.373 2.916 . 0 0 "[ . 1 . 2]" 1
181 1 32 GLU QG 1 33 LEU H 1.800 . 4.200 4.012 3.750 4.409 0.209 1 0 "[ . 1 . 2]" 1
182 2 32 GLU QG 2 33 LEU H 1.800 . 4.200 4.014 3.754 4.411 0.211 1 0 "[ . 1 . 2]" 1
183 1 33 LEU H 1 34 LYS H 1.800 . 3.500 2.778 2.636 2.919 . 0 0 "[ . 1 . 2]" 1
184 2 33 LEU H 2 34 LYS H 1.800 . 3.500 2.779 2.633 2.922 . 0 0 "[ . 1 . 2]" 1
185 1 33 LEU HA 1 34 LYS H 1.800 . 4.200 3.573 3.530 3.598 . 0 0 "[ . 1 . 2]" 1
186 2 33 LEU HA 2 34 LYS H 1.800 . 4.200 3.572 3.532 3.600 . 0 0 "[ . 1 . 2]" 1
187 1 33 LEU QB 1 34 LYS H 1.800 . 4.200 2.426 2.211 2.746 . 0 0 "[ . 1 . 2]" 1
188 2 33 LEU QB 2 34 LYS H 1.800 . 4.200 2.428 2.210 2.756 . 0 0 "[ . 1 . 2]" 1
189 1 33 LEU HG 1 34 LYS H 1.800 . 5.000 4.844 3.696 5.030 0.030 13 0 "[ . 1 . 2]" 1
190 2 33 LEU HG 2 34 LYS H 1.800 . 5.000 4.843 3.694 5.030 0.030 13 0 "[ . 1 . 2]" 1
191 1 33 LEU QD 1 34 LYS H 1.800 . 4.200 3.632 3.331 3.940 . 0 0 "[ . 1 . 2]" 1
192 2 33 LEU QD 2 34 LYS H 1.800 . 4.200 3.631 3.333 3.940 . 0 0 "[ . 1 . 2]" 1
193 1 33 LEU MD2 1 34 LYS HA 1.800 . 6.000 4.068 3.319 5.869 . 0 0 "[ . 1 . 2]" 1
194 2 33 LEU MD2 2 34 LYS HA 1.800 . 6.000 4.068 3.325 5.867 . 0 0 "[ . 1 . 2]" 1
195 1 34 LYS H 1 35 GLU H 1.800 . 3.500 2.593 2.304 2.771 . 0 0 "[ . 1 . 2]" 1
196 2 34 LYS H 2 35 GLU H 1.800 . 3.500 2.594 2.301 2.777 . 0 0 "[ . 1 . 2]" 1
197 1 34 LYS HA 1 35 GLU H 1.800 . 4.200 3.536 3.512 3.554 . 0 0 "[ . 1 . 2]" 1
198 2 34 LYS HA 2 35 GLU H 1.800 . 4.200 3.536 3.512 3.553 . 0 0 "[ . 1 . 2]" 1
199 1 34 LYS QB 1 35 GLU H 1.800 . 4.200 2.635 2.529 2.759 . 0 0 "[ . 1 . 2]" 1
200 2 34 LYS QB 2 35 GLU H 1.800 . 4.200 2.633 2.531 2.749 . 0 0 "[ . 1 . 2]" 1
201 1 34 LYS QE 1 35 GLU H 1.800 . 4.200 4.091 3.191 4.349 0.149 9 0 "[ . 1 . 2]" 1
202 2 34 LYS QE 2 35 GLU H 1.800 . 4.200 4.091 3.196 4.351 0.151 9 0 "[ . 1 . 2]" 1
203 1 35 GLU H 1 36 LEU H 1.800 . 3.500 2.493 2.448 2.541 . 0 0 "[ . 1 . 2]" 1
204 2 35 GLU H 2 36 LEU H 1.800 . 3.500 2.493 2.445 2.543 . 0 0 "[ . 1 . 2]" 1
205 1 35 GLU HA 1 36 LEU H 1.800 . 3.500 3.513 3.494 3.546 0.046 11 0 "[ . 1 . 2]" 1
206 2 35 GLU HA 2 36 LEU H 1.800 . 3.500 3.512 3.495 3.546 0.046 11 0 "[ . 1 . 2]" 1
207 1 35 GLU QB 1 36 LEU H 1.800 . 5.000 2.752 2.616 2.808 . 0 0 "[ . 1 . 2]" 1
208 2 35 GLU QB 2 36 LEU H 1.800 . 5.000 2.751 2.613 2.809 . 0 0 "[ . 1 . 2]" 1
209 1 35 GLU QG 1 36 LEU H 1.800 . 5.000 3.905 3.777 4.152 . 0 0 "[ . 1 . 2]" 1
210 2 35 GLU QG 2 36 LEU H 1.800 . 5.000 3.902 3.774 4.150 . 0 0 "[ . 1 . 2]" 1
211 1 36 LEU H 1 37 ILE H 1.800 . 3.500 2.457 2.353 2.614 . 0 0 "[ . 1 . 2]" 1
212 2 36 LEU H 2 37 ILE H 1.800 . 3.500 2.456 2.353 2.613 . 0 0 "[ . 1 . 2]" 1
213 1 36 LEU HA 1 37 ILE H 1.800 . 4.200 3.507 3.470 3.558 . 0 0 "[ . 1 . 2]" 1
214 2 36 LEU HA 2 37 ILE H 1.800 . 4.200 3.507 3.470 3.556 . 0 0 "[ . 1 . 2]" 1
215 1 36 LEU QB 1 37 ILE H 1.800 . 4.200 2.713 2.556 2.838 . 0 0 "[ . 1 . 2]" 1
216 2 36 LEU QB 2 37 ILE H 1.800 . 4.200 2.711 2.542 2.842 . 0 0 "[ . 1 . 2]" 1
217 1 36 LEU HG 1 37 ILE H 1.800 . 4.200 3.839 3.492 4.073 . 0 0 "[ . 1 . 2]" 1
218 2 36 LEU HG 2 37 ILE H 1.800 . 4.200 3.837 3.482 4.075 . 0 0 "[ . 1 . 2]" 1
219 1 36 LEU QD 1 37 ILE H 1.800 . 5.000 3.954 3.784 4.077 . 0 0 "[ . 1 . 2]" 1
220 2 36 LEU QD 2 37 ILE H 1.800 . 5.000 3.952 3.778 4.077 . 0 0 "[ . 1 . 2]" 1
221 1 37 ILE H 1 38 ASN H 1.800 . 4.200 2.570 2.442 2.723 . 0 0 "[ . 1 . 2]" 1
222 2 37 ILE H 2 38 ASN H 1.800 . 4.200 2.572 2.437 2.747 . 0 0 "[ . 1 . 2]" 1
223 1 37 ILE HA 1 38 ASN H 1.800 . 4.200 3.540 3.497 3.564 . 0 0 "[ . 1 . 2]" 1
224 2 37 ILE HA 2 38 ASN H 1.800 . 4.200 3.540 3.501 3.564 . 0 0 "[ . 1 . 2]" 1
225 1 37 ILE HB 1 38 ASN H 1.800 . 4.200 2.721 2.453 3.774 . 0 0 "[ . 1 . 2]" 1
226 2 37 ILE HB 2 38 ASN H 1.800 . 4.200 2.721 2.456 3.776 . 0 0 "[ . 1 . 2]" 1
227 1 37 ILE QG 1 38 ASN H 1.800 . 4.200 4.060 2.157 4.226 0.026 9 0 "[ . 1 . 2]" 1
228 2 37 ILE QG 2 38 ASN H 1.800 . 4.200 4.061 2.159 4.231 0.031 9 0 "[ . 1 . 2]" 1
229 1 37 ILE MG 1 38 ASN H 1.800 . 4.200 3.301 3.090 3.968 . 0 0 "[ . 1 . 2]" 1
230 2 37 ILE MG 2 38 ASN H 1.800 . 4.200 3.298 3.065 3.971 . 0 0 "[ . 1 . 2]" 1
231 1 37 ILE MD 1 38 ASN H 1.800 . 5.000 4.561 3.872 4.903 . 0 0 "[ . 1 . 2]" 1
232 2 37 ILE MD 2 38 ASN H 1.800 . 5.000 4.564 3.874 4.908 . 0 0 "[ . 1 . 2]" 1
233 1 38 ASN H 1 39 ASN H 1.800 . 4.200 2.479 2.408 2.592 . 0 0 "[ . 1 . 2]" 1
234 2 38 ASN H 2 39 ASN H 1.800 . 4.200 2.480 2.406 2.590 . 0 0 "[ . 1 . 2]" 1
235 1 38 ASN HA 1 39 ASN H 1.800 . 4.200 3.495 3.461 3.523 . 0 0 "[ . 1 . 2]" 1
236 2 38 ASN HA 2 39 ASN H 1.800 . 4.200 3.495 3.463 3.522 . 0 0 "[ . 1 . 2]" 1
237 1 38 ASN QB 1 39 ASN H 1.800 . 4.200 2.941 2.856 3.007 . 0 0 "[ . 1 . 2]" 1
238 2 38 ASN QB 2 39 ASN H 1.800 . 4.200 2.939 2.857 3.005 . 0 0 "[ . 1 . 2]" 1
239 1 39 ASN HA 1 40 GLU H 1.800 . 5.000 3.584 3.494 3.616 . 0 0 "[ . 1 . 2]" 1
240 2 39 ASN HA 2 40 GLU H 1.800 . 5.000 3.584 3.494 3.615 . 0 0 "[ . 1 . 2]" 1
241 1 39 ASN QB 1 40 GLU H 1.800 . 4.200 2.602 2.424 3.392 . 0 0 "[ . 1 . 2]" 1
242 2 39 ASN QB 2 40 GLU H 1.800 . 4.200 2.602 2.430 3.390 . 0 0 "[ . 1 . 2]" 1
243 1 40 GLU H 1 41 LEU H 1.800 . 3.500 2.476 2.136 2.716 . 0 0 "[ . 1 . 2]" 1
244 2 40 GLU H 2 41 LEU H 1.800 . 3.500 2.476 2.137 2.715 . 0 0 "[ . 1 . 2]" 1
245 1 40 GLU HA 1 41 LEU H 1.800 . 5.000 3.585 3.551 3.607 . 0 0 "[ . 1 . 2]" 1
246 2 40 GLU HA 2 41 LEU H 1.800 . 5.000 3.584 3.550 3.606 . 0 0 "[ . 1 . 2]" 1
247 1 40 GLU QB 1 41 LEU H 1.800 . 4.200 2.173 1.893 2.422 . 0 0 "[ . 1 . 2]" 1
248 2 40 GLU QB 2 41 LEU H 1.800 . 4.200 2.173 1.891 2.409 . 0 0 "[ . 1 . 2]" 1
249 1 40 GLU QG 1 41 LEU H 1.800 . 4.200 3.841 3.365 4.253 0.053 6 0 "[ . 1 . 2]" 1
250 2 40 GLU QG 2 41 LEU H 1.800 . 4.200 3.838 3.362 4.256 0.056 6 0 "[ . 1 . 2]" 1
251 1 41 LEU HA 1 42 SER H 1.800 . 4.200 2.940 2.851 3.044 . 0 0 "[ . 1 . 2]" 1
252 2 41 LEU HA 2 42 SER H 1.800 . 4.200 2.942 2.856 3.044 . 0 0 "[ . 1 . 2]" 1
253 1 41 LEU QB 1 42 SER H 1.800 . 5.000 3.871 3.755 3.929 . 0 0 "[ . 1 . 2]" 1
254 2 41 LEU QB 2 42 SER H 1.800 . 5.000 3.869 3.753 3.929 . 0 0 "[ . 1 . 2]" 1
255 1 41 LEU HG 1 42 SER H 1.800 . 6.000 4.982 4.236 6.021 0.021 17 0 "[ . 1 . 2]" 1
256 2 41 LEU HG 2 42 SER H 1.800 . 6.000 4.982 4.241 6.019 0.019 17 0 "[ . 1 . 2]" 1
257 1 41 LEU MD1 1 42 SER H 1.800 . 6.000 5.247 4.254 5.578 . 0 0 "[ . 1 . 2]" 1
258 2 41 LEU MD1 2 42 SER H 1.800 . 6.000 5.247 4.267 5.578 . 0 0 "[ . 1 . 2]" 1
259 1 41 LEU MD2 1 42 SER H 1.800 . 5.000 4.314 4.110 4.556 . 0 0 "[ . 1 . 2]" 1
260 2 41 LEU MD2 2 42 SER H 1.800 . 5.000 4.304 4.109 4.554 . 0 0 "[ . 1 . 2]" 1
261 1 42 SER H 1 43 HIS H 1.800 . 5.000 2.365 2.242 2.507 . 0 0 "[ . 1 . 2]" 1
262 2 42 SER H 2 43 HIS H 1.800 . 5.000 2.366 2.241 2.510 . 0 0 "[ . 1 . 2]" 1
263 1 42 SER HA 1 43 HIS H 1.800 . 5.000 3.462 3.436 3.485 . 0 0 "[ . 1 . 2]" 1
264 2 42 SER HA 2 43 HIS H 1.800 . 5.000 3.462 3.440 3.484 . 0 0 "[ . 1 . 2]" 1
265 1 42 SER QB 1 43 HIS H 1.800 . 6.000 3.329 2.967 3.607 . 0 0 "[ . 1 . 2]" 1
266 2 42 SER QB 2 43 HIS H 1.800 . 6.000 3.329 2.965 3.607 . 0 0 "[ . 1 . 2]" 1
267 1 43 HIS H 1 44 PHE H 1.800 . 5.000 2.216 2.122 2.342 . 0 0 "[ . 1 . 2]" 1
268 2 43 HIS H 2 44 PHE H 1.800 . 5.000 2.217 2.117 2.346 . 0 0 "[ . 1 . 2]" 1
269 1 44 PHE H 1 45 LEU HA 1.800 . 5.000 4.892 4.774 5.055 0.055 11 0 "[ . 1 . 2]" 1
270 2 44 PHE H 2 45 LEU HA 1.800 . 5.000 4.893 4.774 5.057 0.057 11 0 "[ . 1 . 2]" 1
271 1 44 PHE H 1 45 LEU QB 1.800 . 5.000 4.180 3.852 4.343 . 0 0 "[ . 1 . 2]" 1
272 2 44 PHE H 2 45 LEU QB 1.800 . 5.000 4.182 3.853 4.373 . 0 0 "[ . 1 . 2]" 1
273 1 44 PHE H 1 45 LEU H 1.800 . 3.500 2.197 1.951 2.518 . 0 0 "[ . 1 . 2]" 1
274 2 44 PHE H 2 45 LEU H 1.800 . 3.500 2.198 1.951 2.522 . 0 0 "[ . 1 . 2]" 1
275 1 44 PHE HA 1 45 LEU H 1.800 . 4.200 3.566 3.464 3.600 . 0 0 "[ . 1 . 2]" 1
276 2 44 PHE HA 2 45 LEU H 1.800 . 4.200 3.567 3.466 3.599 . 0 0 "[ . 1 . 2]" 1
277 1 45 LEU H 1 46 GLU H 1.800 . 5.000 4.525 4.406 4.621 . 0 0 "[ . 1 . 2]" 1
278 2 45 LEU H 2 46 GLU H 1.800 . 5.000 4.524 4.408 4.619 . 0 0 "[ . 1 . 2]" 1
279 1 45 LEU HA 1 46 GLU H 1.800 . 3.500 2.220 2.190 2.259 . 0 0 "[ . 1 . 2]" 1
280 2 45 LEU HA 2 46 GLU H 1.800 . 3.500 2.219 2.190 2.258 . 0 0 "[ . 1 . 2]" 1
281 1 45 LEU QB 1 46 GLU H 1.800 . 4.200 3.503 3.159 3.737 . 0 0 "[ . 1 . 2]" 1
282 2 45 LEU QB 2 46 GLU H 1.800 . 4.200 3.504 3.160 3.736 . 0 0 "[ . 1 . 2]" 1
283 1 45 LEU QD 1 46 GLU H 1.800 . 5.000 2.943 1.780 4.006 0.020 15 0 "[ . 1 . 2]" 1
284 2 45 LEU QD 2 46 GLU H 1.800 . 5.000 2.942 1.780 4.001 0.020 15 0 "[ . 1 . 2]" 1
285 1 46 GLU H 1 47 GLU H 1.800 . 5.000 4.640 4.581 4.694 . 0 0 "[ . 1 . 2]" 1
286 2 46 GLU H 2 47 GLU H 1.800 . 5.000 4.640 4.580 4.695 . 0 0 "[ . 1 . 2]" 1
287 1 47 GLU H 1 48 ILE H 1.800 . 6.000 4.285 4.076 4.432 . 0 0 "[ . 1 . 2]" 1
288 2 47 GLU H 2 48 ILE H 1.800 . 6.000 4.284 4.074 4.430 . 0 0 "[ . 1 . 2]" 1
289 1 47 GLU HA 1 48 ILE H 1.800 . 4.200 2.272 2.203 2.386 . 0 0 "[ . 1 . 2]" 1
290 2 47 GLU HA 2 48 ILE H 1.800 . 4.200 2.270 2.200 2.385 . 0 0 "[ . 1 . 2]" 1
291 1 47 GLU QG 1 48 ILE H 1.800 . 5.000 4.181 3.287 4.908 . 0 0 "[ . 1 . 2]" 1
292 2 47 GLU QG 2 48 ILE H 1.800 . 5.000 4.180 3.284 4.904 . 0 0 "[ . 1 . 2]" 1
293 1 49 LYS HA 1 50 GLU H 1.800 . 3.500 3.410 3.324 3.490 . 0 0 "[ . 1 . 2]" 1
294 2 49 LYS HA 2 50 GLU H 1.800 . 3.500 3.408 3.321 3.489 . 0 0 "[ . 1 . 2]" 1
295 1 49 LYS QB 1 50 GLU H 1.800 . 4.200 3.101 2.853 3.661 . 0 0 "[ . 1 . 2]" 1
296 2 49 LYS QB 2 50 GLU H 1.800 . 4.200 3.104 2.856 3.664 . 0 0 "[ . 1 . 2]" 1
297 1 51 GLN HA 1 52 GLU H 1.800 . 4.200 3.466 3.380 3.517 . 0 0 "[ . 1 . 2]" 1
298 2 51 GLN HA 2 52 GLU H 1.800 . 4.200 3.466 3.381 3.520 . 0 0 "[ . 1 . 2]" 1
299 1 51 GLN QG 1 52 GLU H 1.800 . 4.200 3.260 2.076 4.238 0.038 13 0 "[ . 1 . 2]" 1
300 2 51 GLN QG 2 52 GLU H 1.800 . 4.200 3.262 2.092 4.251 0.051 13 0 "[ . 1 . 2]" 1
301 1 52 GLU H 1 53 VAL H 1.800 . 6.000 3.005 2.814 3.240 . 0 0 "[ . 1 . 2]" 1
302 2 52 GLU H 2 53 VAL H 1.800 . 6.000 3.004 2.815 3.239 . 0 0 "[ . 1 . 2]" 1
303 1 52 GLU HA 1 53 VAL H 1.800 . 3.500 3.547 3.499 3.602 0.102 1 0 "[ . 1 . 2]" 1
304 2 52 GLU HA 2 53 VAL H 1.800 . 3.500 3.547 3.500 3.603 0.103 1 0 "[ . 1 . 2]" 1
305 1 52 GLU QB 1 53 VAL H 1.800 . 5.000 2.708 2.373 3.513 . 0 0 "[ . 1 . 2]" 1
306 2 52 GLU QB 2 53 VAL H 1.800 . 5.000 2.708 2.371 3.516 . 0 0 "[ . 1 . 2]" 1
307 1 53 VAL H 1 54 VAL H 1.800 . 4.200 2.412 2.371 2.456 . 0 0 "[ . 1 . 2]" 1
308 2 53 VAL H 2 54 VAL H 1.800 . 4.200 2.412 2.367 2.456 . 0 0 "[ . 1 . 2]" 1
309 1 53 VAL HA 1 54 VAL H 1.800 . 3.500 3.513 3.468 3.534 0.034 13 0 "[ . 1 . 2]" 1
310 2 53 VAL HA 2 54 VAL H 1.800 . 3.500 3.513 3.467 3.533 0.033 14 0 "[ . 1 . 2]" 1
311 1 53 VAL MG2 1 54 VAL H 1.800 . 4.200 2.473 1.919 3.607 . 0 0 "[ . 1 . 2]" 1
312 2 53 VAL MG2 2 54 VAL H 1.800 . 4.200 2.471 1.868 3.622 . 0 0 "[ . 1 . 2]" 1
313 1 54 VAL H 1 55 ASP H 1.800 . 3.500 2.447 2.389 2.529 . 0 0 "[ . 1 . 2]" 1
314 2 54 VAL H 2 55 ASP H 1.800 . 3.500 2.447 2.390 2.526 . 0 0 "[ . 1 . 2]" 1
315 1 54 VAL HA 1 55 ASP H 1.800 . 3.500 3.433 3.417 3.448 . 0 0 "[ . 1 . 2]" 1
316 2 54 VAL HA 2 55 ASP H 1.800 . 3.500 3.433 3.419 3.452 . 0 0 "[ . 1 . 2]" 1
317 1 54 VAL HB 1 55 ASP H 1.800 . 4.200 3.578 3.046 3.703 . 0 0 "[ . 1 . 2]" 1
318 2 54 VAL HB 2 55 ASP H 1.800 . 4.200 3.578 3.048 3.701 . 0 0 "[ . 1 . 2]" 1
319 1 54 VAL MG1 1 55 ASP HA 1.800 . 3.500 3.202 3.145 3.570 0.070 20 0 "[ . 1 . 2]" 1
320 2 54 VAL MG1 2 55 ASP HA 1.800 . 3.500 3.202 3.146 3.574 0.074 20 0 "[ . 1 . 2]" 1
321 1 55 ASP QB 1 56 LYS H 1.800 . 2.900 2.673 2.627 2.739 . 0 0 "[ . 1 . 2]" 1
322 2 55 ASP QB 2 56 LYS H 1.800 . 2.900 2.671 2.618 2.744 . 0 0 "[ . 1 . 2]" 1
323 1 56 LYS H 1 57 VAL H 1.800 . 4.200 2.585 2.373 2.703 . 0 0 "[ . 1 . 2]" 1
324 2 56 LYS H 2 57 VAL H 1.800 . 4.200 2.585 2.369 2.711 . 0 0 "[ . 1 . 2]" 1
325 1 56 LYS QG 1 57 VAL H 1.800 . 5.000 3.527 2.207 4.052 . 0 0 "[ . 1 . 2]" 1
326 2 56 LYS QG 2 57 VAL H 1.800 . 5.000 3.527 2.209 4.050 . 0 0 "[ . 1 . 2]" 1
327 1 56 LYS QD 1 57 VAL H 1.800 . 4.200 3.068 2.483 4.102 . 0 0 "[ . 1 . 2]" 1
328 2 56 LYS QD 2 57 VAL H 1.800 . 4.200 3.066 2.470 4.100 . 0 0 "[ . 1 . 2]" 1
329 1 56 LYS QE 1 57 VAL H 1.800 . 4.200 3.963 2.630 4.259 0.059 11 0 "[ . 1 . 2]" 1
330 2 56 LYS QE 2 57 VAL H 1.800 . 4.200 3.961 2.628 4.256 0.056 19 0 "[ . 1 . 2]" 1
331 1 56 LYS QD 1 57 VAL HB 1.800 . 5.000 3.997 3.219 5.129 0.129 10 0 "[ . 1 . 2]" 1
332 2 56 LYS QD 2 57 VAL HB 1.800 . 5.000 3.995 3.210 5.136 0.136 10 0 "[ . 1 . 2]" 1
333 1 57 VAL HA 1 58 MET H 1.800 . 4.200 3.541 3.517 3.562 . 0 0 "[ . 1 . 2]" 1
334 2 57 VAL HA 2 58 MET H 1.800 . 4.200 3.541 3.515 3.560 . 0 0 "[ . 1 . 2]" 1
335 1 57 VAL MG1 1 58 MET H 1.800 . 4.200 1.823 1.759 1.973 0.041 13 0 "[ . 1 . 2]" 1
336 2 57 VAL MG1 2 58 MET H 1.800 . 4.200 1.825 1.757 1.961 0.043 3 0 "[ . 1 . 2]" 1
337 1 57 VAL MG2 1 58 MET H 1.800 . 5.000 3.930 3.788 4.067 . 0 0 "[ . 1 . 2]" 1
338 2 57 VAL MG2 2 58 MET H 1.800 . 5.000 3.932 3.801 4.061 . 0 0 "[ . 1 . 2]" 1
339 1 58 MET H 1 59 GLU H 1.800 . 3.500 2.637 2.564 2.759 . 0 0 "[ . 1 . 2]" 1
340 2 58 MET H 2 59 GLU H 1.800 . 3.500 2.638 2.572 2.754 . 0 0 "[ . 1 . 2]" 1
341 1 58 MET HA 1 59 GLU H 1.800 . 3.500 3.516 3.473 3.543 0.043 11 0 "[ . 1 . 2]" 1
342 2 58 MET HA 2 59 GLU H 1.800 . 3.500 3.516 3.474 3.545 0.045 11 0 "[ . 1 . 2]" 1
343 1 59 GLU H 1 60 THR H 1.800 . 3.500 2.573 2.438 2.690 . 0 0 "[ . 1 . 2]" 1
344 2 59 GLU H 2 60 THR H 1.800 . 3.500 2.573 2.441 2.689 . 0 0 "[ . 1 . 2]" 1
345 1 59 GLU QB 1 60 THR H 1.800 . 3.500 2.705 2.555 2.854 . 0 0 "[ . 1 . 2]" 1
346 2 59 GLU QB 2 60 THR H 1.800 . 3.500 2.703 2.557 2.852 . 0 0 "[ . 1 . 2]" 1
347 1 59 GLU QG 1 60 THR H 1.800 . 4.200 4.107 3.912 4.339 0.139 18 0 "[ . 1 . 2]" 1
348 2 59 GLU QG 2 60 THR H 1.800 . 4.200 4.107 3.921 4.341 0.141 18 0 "[ . 1 . 2]" 1
349 1 59 GLU QB 1 60 THR MG 1.800 . 5.000 5.048 5.013 5.107 0.107 11 0 "[ . 1 . 2]" 1
350 2 59 GLU QB 2 60 THR MG 1.800 . 5.000 5.046 5.006 5.108 0.108 11 0 "[ . 1 . 2]" 1
351 1 59 GLU HA 1 60 THR MG 1.800 . 6.000 6.088 6.069 6.111 0.111 3 0 "[ . 1 . 2]" 1
352 2 59 GLU HA 2 60 THR MG 1.800 . 6.000 6.087 6.068 6.106 0.106 10 0 "[ . 1 . 2]" 1
353 1 60 THR H 1 61 LEU H 1.800 . 3.500 2.351 2.226 2.466 . 0 0 "[ . 1 . 2]" 1
354 2 60 THR H 2 61 LEU H 1.800 . 3.500 2.352 2.234 2.466 . 0 0 "[ . 1 . 2]" 1
355 1 60 THR HA 1 61 LEU H 1.800 . 3.500 3.523 3.504 3.546 0.046 13 0 "[ . 1 . 2]" 1
356 2 60 THR HA 2 61 LEU H 1.800 . 3.500 3.523 3.504 3.549 0.049 13 0 "[ . 1 . 2]" 1
357 1 60 THR HB 1 61 LEU H 1.800 . 3.500 2.835 2.688 2.912 . 0 0 "[ . 1 . 2]" 1
358 2 60 THR HB 2 61 LEU H 1.800 . 3.500 2.838 2.693 2.925 . 0 0 "[ . 1 . 2]" 1
359 1 60 THR MG 1 61 LEU H 1.800 . 5.000 3.694 3.580 3.813 . 0 0 "[ . 1 . 2]" 1
360 2 60 THR MG 2 61 LEU H 1.800 . 5.000 3.700 3.588 3.825 . 0 0 "[ . 1 . 2]" 1
361 1 60 THR MG 1 61 LEU HA 1.800 . 5.000 3.669 3.517 3.831 . 0 0 "[ . 1 . 2]" 1
362 2 60 THR MG 2 61 LEU HA 1.800 . 5.000 3.678 3.534 3.864 . 0 0 "[ . 1 . 2]" 1
363 1 60 THR MG 1 61 LEU HG 1.800 . 6.000 5.120 4.919 6.015 0.015 17 0 "[ . 1 . 2]" 1
364 2 60 THR MG 2 61 LEU HG 1.800 . 6.000 5.125 4.937 6.017 0.017 17 0 "[ . 1 . 2]" 1
365 1 60 THR MG 1 61 LEU MD2 1.800 . 6.000 2.598 2.203 5.556 . 0 0 "[ . 1 . 2]" 1
366 2 60 THR MG 2 61 LEU MD2 1.800 . 6.000 2.601 2.211 5.558 . 0 0 "[ . 1 . 2]" 1
367 1 60 THR HB 1 61 LEU MD1 1.800 . 5.000 4.754 4.504 5.000 . 0 0 "[ . 1 . 2]" 1
368 2 60 THR HB 2 61 LEU MD1 1.800 . 5.000 4.746 4.486 5.002 0.002 17 0 "[ . 1 . 2]" 1
369 1 61 LEU H 1 62 ASP H 1.800 . 3.500 2.474 2.278 2.643 . 0 0 "[ . 1 . 2]" 1
370 2 61 LEU H 2 62 ASP H 1.800 . 3.500 2.473 2.278 2.645 . 0 0 "[ . 1 . 2]" 1
371 1 61 LEU HA 1 62 ASP H 1.800 . 4.200 3.631 3.612 3.670 . 0 0 "[ . 1 . 2]" 1
372 2 61 LEU HA 2 62 ASP H 1.800 . 4.200 3.631 3.609 3.671 . 0 0 "[ . 1 . 2]" 1
373 1 61 LEU QB 1 62 ASP H 1.800 . 6.000 2.648 2.324 2.731 . 0 0 "[ . 1 . 2]" 1
374 2 61 LEU QB 2 62 ASP H 1.800 . 6.000 2.647 2.329 2.738 . 0 0 "[ . 1 . 2]" 1
375 1 61 LEU HG 1 62 ASP H 1.800 . 5.000 4.990 3.530 5.188 0.188 6 0 "[ . 1 . 2]" 1
376 2 61 LEU HG 2 62 ASP H 1.800 . 5.000 4.989 3.524 5.196 0.196 6 0 "[ . 1 . 2]" 1
377 1 61 LEU MD1 1 62 ASP H 1.800 . 5.000 4.670 4.445 4.736 . 0 0 "[ . 1 . 2]" 1
378 2 61 LEU MD1 2 62 ASP H 1.800 . 5.000 4.670 4.442 4.736 . 0 0 "[ . 1 . 2]" 1
379 1 61 LEU MD2 1 62 ASP H 1.800 . 6.000 4.165 4.003 4.383 . 0 0 "[ . 1 . 2]" 1
380 2 61 LEU MD2 2 62 ASP H 1.800 . 6.000 4.162 4.008 4.381 . 0 0 "[ . 1 . 2]" 1
381 1 61 LEU HA 1 62 ASP QB 1.800 . 6.000 5.273 5.207 5.474 . 0 0 "[ . 1 . 2]" 1
382 2 61 LEU HA 2 62 ASP QB 1.800 . 6.000 5.272 5.205 5.477 . 0 0 "[ . 1 . 2]" 1
383 1 62 ASP H 1 63 GLU H 1.800 . 5.000 4.312 4.109 4.401 . 0 0 "[ . 1 . 2]" 1
384 2 62 ASP H 2 63 GLU H 1.800 . 5.000 4.311 4.107 4.402 . 0 0 "[ . 1 . 2]" 1
385 1 62 ASP HA 1 63 GLU H 1.800 . 3.500 2.142 2.107 2.251 . 0 0 "[ . 1 . 2]" 1
386 2 62 ASP HA 2 63 GLU H 1.800 . 3.500 2.142 2.106 2.254 . 0 0 "[ . 1 . 2]" 1
387 1 62 ASP QB 1 63 GLU H 1.800 . 4.200 3.828 3.443 3.988 . 0 0 "[ . 1 . 2]" 1
388 2 62 ASP QB 2 63 GLU H 1.800 . 4.200 3.829 3.447 3.986 . 0 0 "[ . 1 . 2]" 1
389 1 62 ASP QB 1 63 GLU HA 1.800 . 5.000 4.611 4.435 4.717 . 0 0 "[ . 1 . 2]" 1
390 2 62 ASP QB 2 63 GLU HA 1.800 . 5.000 4.611 4.435 4.719 . 0 0 "[ . 1 . 2]" 1
391 1 63 GLU H 1 64 ASP H 1.800 . 3.500 2.289 2.154 2.454 . 0 0 "[ . 1 . 2]" 1
392 2 63 GLU H 2 64 ASP H 1.800 . 3.500 2.288 2.150 2.457 . 0 0 "[ . 1 . 2]" 1
393 1 63 GLU HA 1 64 ASP H 1.800 . 3.500 3.528 3.487 3.547 0.047 2 0 "[ . 1 . 2]" 1
394 2 63 GLU HA 2 64 ASP H 1.800 . 3.500 3.528 3.484 3.549 0.049 2 0 "[ . 1 . 2]" 1
395 1 63 GLU QB 1 64 ASP H 1.800 . 3.500 2.661 2.339 3.418 . 0 0 "[ . 1 . 2]" 1
396 2 63 GLU QB 2 64 ASP H 1.800 . 3.500 2.660 2.330 3.416 . 0 0 "[ . 1 . 2]" 1
397 1 63 GLU QB 1 64 ASP QB 1.800 . 6.000 4.225 3.908 4.847 . 0 0 "[ . 1 . 2]" 1
398 2 63 GLU QB 2 64 ASP QB 1.800 . 6.000 4.224 3.902 4.838 . 0 0 "[ . 1 . 2]" 1
399 1 64 ASP H 1 65 GLY H 1.800 . 3.500 2.451 2.357 2.537 . 0 0 "[ . 1 . 2]" 1
400 2 64 ASP H 2 65 GLY H 1.800 . 3.500 2.453 2.355 2.535 . 0 0 "[ . 1 . 2]" 1
401 1 64 ASP HA 1 65 GLY H 1.800 . 3.500 3.342 3.314 3.367 . 0 0 "[ . 1 . 2]" 1
402 2 64 ASP HA 2 65 GLY H 1.800 . 3.500 3.342 3.315 3.360 . 0 0 "[ . 1 . 2]" 1
403 1 64 ASP QB 1 65 GLY H 1.800 . 5.000 3.767 3.324 3.854 . 0 0 "[ . 1 . 2]" 1
404 2 64 ASP QB 2 65 GLY H 1.800 . 5.000 3.766 3.322 3.854 . 0 0 "[ . 1 . 2]" 1
405 1 65 GLY H 1 66 ASP H 1.800 . 3.500 2.708 2.651 2.789 . 0 0 "[ . 1 . 2]" 1
406 2 65 GLY H 2 66 ASP H 1.800 . 3.500 2.708 2.646 2.788 . 0 0 "[ . 1 . 2]" 1
407 1 65 GLY QA 1 66 ASP H 1.800 . 3.500 2.694 2.670 2.711 . 0 0 "[ . 1 . 2]" 1
408 2 65 GLY QA 2 66 ASP H 1.800 . 3.500 2.694 2.669 2.713 . 0 0 "[ . 1 . 2]" 1
409 1 66 ASP H 1 67 GLY H 1.800 . 3.500 2.280 2.160 2.382 . 0 0 "[ . 1 . 2]" 1
410 2 66 ASP H 2 67 GLY H 1.800 . 3.500 2.281 2.159 2.379 . 0 0 "[ . 1 . 2]" 1
411 1 66 ASP HA 1 67 GLY H 1.800 . 6.000 3.355 3.331 3.367 . 0 0 "[ . 1 . 2]" 1
412 2 66 ASP HA 2 67 GLY H 1.800 . 6.000 3.354 3.330 3.367 . 0 0 "[ . 1 . 2]" 1
413 1 66 ASP QB 1 67 GLY H 1.800 . 5.000 3.803 3.782 3.827 . 0 0 "[ . 1 . 2]" 1
414 2 66 ASP QB 2 67 GLY H 1.800 . 5.000 3.803 3.781 3.829 . 0 0 "[ . 1 . 2]" 1
415 1 67 GLY H 1 68 GLU H 1.800 . 3.500 2.516 2.389 2.638 . 0 0 "[ . 1 . 2]" 1
416 2 67 GLY H 2 68 GLU H 1.800 . 3.500 2.514 2.394 2.638 . 0 0 "[ . 1 . 2]" 1
417 1 67 GLY QA 1 68 GLU H 1.800 . 3.500 2.898 2.890 2.907 . 0 0 "[ . 1 . 2]" 1
418 2 67 GLY QA 2 68 GLU H 1.800 . 3.500 2.897 2.890 2.907 . 0 0 "[ . 1 . 2]" 1
419 1 68 GLU H 1 69 CYS H 1.800 . 5.000 4.460 4.415 4.494 . 0 0 "[ . 1 . 2]" 1
420 2 68 GLU H 2 69 CYS H 1.800 . 5.000 4.461 4.421 4.493 . 0 0 "[ . 1 . 2]" 1
421 1 68 GLU HA 1 69 CYS H 1.800 . 4.200 2.494 2.346 2.601 . 0 0 "[ . 1 . 2]" 1
422 2 68 GLU HA 2 69 CYS H 1.800 . 4.200 2.495 2.347 2.599 . 0 0 "[ . 1 . 2]" 1
423 1 68 GLU QB 1 69 CYS H 1.800 . 4.200 2.409 2.237 2.761 . 0 0 "[ . 1 . 2]" 1
424 2 68 GLU QB 2 69 CYS H 1.800 . 4.200 2.413 2.246 2.758 . 0 0 "[ . 1 . 2]" 1
425 1 68 GLU QG 1 69 CYS H 1.800 . 4.200 3.903 3.491 4.264 0.064 5 0 "[ . 1 . 2]" 1
426 2 68 GLU QG 2 69 CYS H 1.800 . 4.200 3.901 3.490 4.263 0.063 5 0 "[ . 1 . 2]" 1
427 1 69 CYS H 1 70 ASP H 1.800 . 5.000 3.907 3.758 4.098 . 0 0 "[ . 1 . 2]" 1
428 2 69 CYS H 2 70 ASP H 1.800 . 5.000 3.907 3.757 4.102 . 0 0 "[ . 1 . 2]" 1
429 1 69 CYS HA 1 70 ASP H 1.800 . 5.000 2.285 2.189 2.365 . 0 0 "[ . 1 . 2]" 1
430 2 69 CYS HA 2 70 ASP H 1.800 . 5.000 2.285 2.187 2.364 . 0 0 "[ . 1 . 2]" 1
431 1 69 CYS QB 1 70 ASP H 1.800 . 5.000 3.755 3.642 3.841 . 0 0 "[ . 1 . 2]" 1
432 2 69 CYS QB 2 70 ASP H 1.800 . 5.000 3.755 3.642 3.842 . 0 0 "[ . 1 . 2]" 1
433 1 70 ASP H 1 71 PHE H 1.800 . 6.000 4.632 4.584 4.672 . 0 0 "[ . 1 . 2]" 1
434 2 70 ASP H 2 71 PHE H 1.800 . 6.000 4.632 4.580 4.669 . 0 0 "[ . 1 . 2]" 1
435 1 70 ASP HA 1 71 PHE H 1.800 . 5.000 2.753 2.627 2.890 . 0 0 "[ . 1 . 2]" 1
436 2 70 ASP HA 2 71 PHE H 1.800 . 5.000 2.753 2.631 2.892 . 0 0 "[ . 1 . 2]" 1
437 1 70 ASP QB 1 71 PHE H 1.800 . 5.000 2.427 1.958 3.127 . 0 0 "[ . 1 . 2]" 1
438 2 70 ASP QB 2 71 PHE H 1.800 . 5.000 2.427 1.956 3.107 . 0 0 "[ . 1 . 2]" 1
439 1 71 PHE HA 1 72 GLN H 1.800 . 4.200 3.526 3.492 3.594 . 0 0 "[ . 1 . 2]" 1
440 2 71 PHE HA 2 72 GLN H 1.800 . 4.200 3.526 3.494 3.595 . 0 0 "[ . 1 . 2]" 1
441 1 71 PHE QB 1 72 GLN H 1.800 . 3.500 3.253 2.139 3.430 . 0 0 "[ . 1 . 2]" 1
442 2 71 PHE QB 2 72 GLN H 1.800 . 3.500 3.253 2.138 3.427 . 0 0 "[ . 1 . 2]" 1
443 1 72 GLN H 1 73 GLU H 1.800 . 4.200 2.679 2.486 3.100 . 0 0 "[ . 1 . 2]" 1
444 2 72 GLN H 2 73 GLU H 1.800 . 4.200 2.680 2.483 3.104 . 0 0 "[ . 1 . 2]" 1
445 1 72 GLN HA 1 73 GLU H 1.800 . 4.200 3.551 3.501 3.603 . 0 0 "[ . 1 . 2]" 1
446 2 72 GLN HA 2 73 GLU H 1.800 . 4.200 3.551 3.508 3.602 . 0 0 "[ . 1 . 2]" 1
447 1 72 GLN QB 1 73 GLU H 1.800 . 3.500 3.080 2.489 3.564 0.064 14 0 "[ . 1 . 2]" 1
448 2 72 GLN QB 2 73 GLU H 1.800 . 3.500 3.081 2.495 3.562 0.062 14 0 "[ . 1 . 2]" 1
449 1 72 GLN QG 1 73 GLU H 1.800 . 3.500 2.999 2.212 3.598 0.098 4 0 "[ . 1 . 2]" 1
450 2 72 GLN QG 2 73 GLU H 1.800 . 3.500 2.997 2.212 3.597 0.097 5 0 "[ . 1 . 2]" 1
451 1 73 GLU H 1 74 PHE H 1.800 . 3.500 2.283 2.221 2.351 . 0 0 "[ . 1 . 2]" 1
452 2 73 GLU H 2 74 PHE H 1.800 . 3.500 2.283 2.222 2.352 . 0 0 "[ . 1 . 2]" 1
453 1 73 GLU HA 1 74 PHE H 1.800 . 3.500 3.540 3.515 3.564 0.064 15 0 "[ . 1 . 2]" 1
454 2 73 GLU HA 2 74 PHE H 1.800 . 3.500 3.541 3.516 3.565 0.065 15 0 "[ . 1 . 2]" 1
455 1 73 GLU QB 1 74 PHE H 1.800 . 4.200 3.031 2.477 3.570 . 0 0 "[ . 1 . 2]" 1
456 2 73 GLU QB 2 74 PHE H 1.800 . 4.200 3.032 2.472 3.570 . 0 0 "[ . 1 . 2]" 1
457 1 73 GLU QG 1 74 PHE H 1.800 . 4.200 2.801 1.875 3.705 . 0 0 "[ . 1 . 2]" 1
458 2 73 GLU QG 2 74 PHE H 1.800 . 4.200 2.797 1.876 3.705 . 0 0 "[ . 1 . 2]" 1
459 1 74 PHE H 1 75 MET H 1.800 . 3.500 2.808 2.659 2.877 . 0 0 "[ . 1 . 2]" 1
460 2 74 PHE H 2 75 MET H 1.800 . 3.500 2.808 2.661 2.869 . 0 0 "[ . 1 . 2]" 1
461 1 74 PHE HA 1 75 MET H 1.800 . 4.200 3.556 3.516 3.584 . 0 0 "[ . 1 . 2]" 1
462 2 74 PHE HA 2 75 MET H 1.800 . 4.200 3.556 3.519 3.581 . 0 0 "[ . 1 . 2]" 1
463 1 74 PHE QB 1 75 MET H 1.800 . 4.200 2.577 2.471 2.751 . 0 0 "[ . 1 . 2]" 1
464 2 74 PHE QB 2 75 MET H 1.800 . 4.200 2.577 2.473 2.755 . 0 0 "[ . 1 . 2]" 1
465 1 75 MET H 1 76 ALA H 1.800 . 3.500 2.547 2.361 2.674 . 0 0 "[ . 1 . 2]" 1
466 2 75 MET H 2 76 ALA H 1.800 . 3.500 2.548 2.352 2.674 . 0 0 "[ . 1 . 2]" 1
467 1 75 MET QB 1 76 ALA H 1.800 . 4.200 2.562 2.316 3.144 . 0 0 "[ . 1 . 2]" 1
468 2 75 MET QB 2 76 ALA H 1.800 . 4.200 2.562 2.316 3.138 . 0 0 "[ . 1 . 2]" 1
469 1 75 MET QG 1 76 ALA H 1.800 . 5.000 4.154 3.865 4.668 . 0 0 "[ . 1 . 2]" 1
470 2 75 MET QG 2 76 ALA H 1.800 . 5.000 4.154 3.865 4.662 . 0 0 "[ . 1 . 2]" 1
471 1 75 MET ME 1 76 ALA H 1.800 . 6.000 5.918 5.607 6.066 0.066 6 0 "[ . 1 . 2]" 1
472 2 75 MET ME 2 76 ALA H 1.800 . 6.000 5.918 5.626 6.056 0.056 9 0 "[ . 1 . 2]" 1
473 1 76 ALA H 1 77 PHE H 1.800 . 3.500 2.733 2.216 2.848 . 0 0 "[ . 1 . 2]" 1
474 2 76 ALA H 2 77 PHE H 1.800 . 3.500 2.733 2.216 2.855 . 0 0 "[ . 1 . 2]" 1
475 1 76 ALA HA 1 77 PHE H 1.800 . 3.500 3.455 3.396 3.482 . 0 0 "[ . 1 . 2]" 1
476 2 76 ALA HA 2 77 PHE H 1.800 . 3.500 3.455 3.398 3.485 . 0 0 "[ . 1 . 2]" 1
477 1 76 ALA MB 1 77 PHE H 1.800 . 4.200 2.950 2.850 3.051 . 0 0 "[ . 1 . 2]" 1
478 2 76 ALA MB 2 77 PHE H 1.800 . 4.200 2.950 2.848 3.057 . 0 0 "[ . 1 . 2]" 1
479 1 77 PHE H 1 78 VAL H 1.800 . 3.500 2.660 2.558 2.729 . 0 0 "[ . 1 . 2]" 1
480 2 77 PHE H 2 78 VAL H 1.800 . 3.500 2.659 2.559 2.734 . 0 0 "[ . 1 . 2]" 1
481 1 77 PHE HA 1 78 VAL H 1.800 . 4.200 3.581 3.551 3.604 . 0 0 "[ . 1 . 2]" 1
482 2 77 PHE HA 2 78 VAL H 1.800 . 4.200 3.582 3.549 3.603 . 0 0 "[ . 1 . 2]" 1
483 1 77 PHE QB 1 78 VAL H 1.800 . 4.200 2.450 2.222 2.729 . 0 0 "[ . 1 . 2]" 1
484 2 77 PHE QB 2 78 VAL H 1.800 . 4.200 2.454 2.228 2.729 . 0 0 "[ . 1 . 2]" 1
485 1 77 PHE QD 1 78 VAL MG2 1.800 . 5.000 3.048 2.619 3.291 . 0 0 "[ . 1 . 2]" 1
486 2 77 PHE QD 2 78 VAL MG2 1.800 . 5.000 3.056 2.616 3.320 . 0 0 "[ . 1 . 2]" 1
487 1 78 VAL H 1 79 SER H 1.800 . 3.500 2.672 2.592 2.759 . 0 0 "[ . 1 . 2]" 1
488 2 78 VAL H 2 79 SER H 1.800 . 3.500 2.672 2.592 2.757 . 0 0 "[ . 1 . 2]" 1
489 1 78 VAL HA 1 79 SER H 1.800 . 5.000 3.502 3.462 3.558 . 0 0 "[ . 1 . 2]" 1
490 2 78 VAL HA 2 79 SER H 1.800 . 5.000 3.501 3.462 3.556 . 0 0 "[ . 1 . 2]" 1
491 1 78 VAL HB 1 79 SER H 1.800 . 4.200 2.720 2.546 2.871 . 0 0 "[ . 1 . 2]" 1
492 2 78 VAL HB 2 79 SER H 1.800 . 4.200 2.724 2.553 2.872 . 0 0 "[ . 1 . 2]" 1
493 1 78 VAL MG1 1 79 SER H 1.800 . 4.200 3.510 3.290 3.756 . 0 0 "[ . 1 . 2]" 1
494 2 78 VAL MG1 2 79 SER H 1.800 . 4.200 3.512 3.303 3.747 . 0 0 "[ . 1 . 2]" 1
495 1 78 VAL MG2 1 79 SER H 1.800 . 4.200 3.868 3.695 4.007 . 0 0 "[ . 1 . 2]" 1
496 2 78 VAL MG2 2 79 SER H 1.800 . 4.200 3.869 3.694 4.020 . 0 0 "[ . 1 . 2]" 1
497 1 79 SER H 1 80 MET H 1.800 . 3.500 2.544 2.458 2.670 . 0 0 "[ . 1 . 2]" 1
498 2 79 SER H 2 80 MET H 1.800 . 3.500 2.544 2.460 2.666 . 0 0 "[ . 1 . 2]" 1
499 1 79 SER HA 1 80 MET H 1.800 . 4.200 3.498 3.429 3.526 . 0 0 "[ . 1 . 2]" 1
500 2 79 SER HA 2 80 MET H 1.800 . 4.200 3.498 3.432 3.526 . 0 0 "[ . 1 . 2]" 1
501 1 79 SER QB 1 80 MET H 1.800 . 4.200 2.931 2.582 3.520 . 0 0 "[ . 1 . 2]" 1
502 2 79 SER QB 2 80 MET H 1.800 . 4.200 2.930 2.583 3.518 . 0 0 "[ . 1 . 2]" 1
503 1 80 MET H 1 81 VAL H 1.800 . 4.200 2.455 2.337 2.533 . 0 0 "[ . 1 . 2]" 1
504 2 80 MET H 2 81 VAL H 1.800 . 4.200 2.455 2.338 2.533 . 0 0 "[ . 1 . 2]" 1
505 1 80 MET HA 1 81 VAL H 1.800 . 4.200 3.481 3.420 3.527 . 0 0 "[ . 1 . 2]" 1
506 2 80 MET HA 2 81 VAL H 1.800 . 4.200 3.481 3.422 3.530 . 0 0 "[ . 1 . 2]" 1
507 1 80 MET QB 1 81 VAL H 1.800 . 4.200 2.803 2.690 2.882 . 0 0 "[ . 1 . 2]" 1
508 2 80 MET QB 2 81 VAL H 1.800 . 4.200 2.796 2.685 2.879 . 0 0 "[ . 1 . 2]" 1
509 1 80 MET QG 1 81 VAL H 1.800 . 5.000 4.018 3.847 4.280 . 0 0 "[ . 1 . 2]" 1
510 2 80 MET QG 2 81 VAL H 1.800 . 5.000 4.021 3.853 4.277 . 0 0 "[ . 1 . 2]" 1
511 1 80 MET ME 1 81 VAL HA 1.800 . 6.000 5.806 5.362 6.114 0.114 12 0 "[ . 1 . 2]" 1
512 2 80 MET ME 2 81 VAL HA 1.800 . 6.000 5.806 5.365 6.117 0.117 12 0 "[ . 1 . 2]" 1
513 1 81 VAL H 1 82 THR H 1.800 . 4.200 2.168 2.115 2.253 . 0 0 "[ . 1 . 2]" 1
514 2 81 VAL H 2 82 THR H 1.800 . 4.200 2.169 2.112 2.254 . 0 0 "[ . 1 . 2]" 1
515 1 81 VAL HA 1 82 THR H 1.800 . 6.000 3.518 3.495 3.537 . 0 0 "[ . 1 . 2]" 1
516 2 81 VAL HA 2 82 THR H 1.800 . 6.000 3.518 3.496 3.539 . 0 0 "[ . 1 . 2]" 1
517 1 81 VAL HB 1 82 THR H 1.800 . 4.200 3.482 2.521 4.215 0.015 2 0 "[ . 1 . 2]" 1
518 2 81 VAL HB 2 82 THR H 1.800 . 4.200 3.481 2.530 4.215 0.015 2 0 "[ . 1 . 2]" 1
519 1 81 VAL MG1 1 82 THR H 1.800 . 4.200 3.468 3.276 3.755 . 0 0 "[ . 1 . 2]" 1
520 2 81 VAL MG1 2 82 THR H 1.800 . 4.200 3.464 3.276 3.758 . 0 0 "[ . 1 . 2]" 1
521 1 81 VAL MG2 1 82 THR H 1.800 . 4.200 2.883 2.054 3.921 . 0 0 "[ . 1 . 2]" 1
522 2 81 VAL MG2 2 82 THR H 1.800 . 4.200 2.885 2.068 3.926 . 0 0 "[ . 1 . 2]" 1
523 1 82 THR H 1 83 THR H 1.800 . 3.500 2.528 2.477 2.626 . 0 0 "[ . 1 . 2]" 1
524 2 82 THR H 2 83 THR H 1.800 . 3.500 2.527 2.478 2.625 . 0 0 "[ . 1 . 2]" 1
525 1 82 THR HA 1 83 THR H 1.800 . 6.000 3.582 3.558 3.612 . 0 0 "[ . 1 . 2]" 1
526 2 82 THR HA 2 83 THR H 1.800 . 6.000 3.582 3.554 3.612 . 0 0 "[ . 1 . 2]" 1
527 1 82 THR HB 1 83 THR H 1.800 . 3.500 2.714 2.562 3.540 0.040 10 0 "[ . 1 . 2]" 1
528 2 82 THR HB 2 83 THR H 1.800 . 3.500 2.718 2.562 3.547 0.047 10 0 "[ . 1 . 2]" 1
529 1 82 THR MG 1 83 THR H 1.800 . 4.200 3.634 2.201 3.847 . 0 0 "[ . 1 . 2]" 1
530 2 82 THR MG 2 83 THR H 1.800 . 4.200 3.636 2.194 3.863 . 0 0 "[ . 1 . 2]" 1
531 1 83 THR H 1 84 ALA H 1.800 . 3.500 2.769 2.678 2.868 . 0 0 "[ . 1 . 2]" 1
532 2 83 THR H 2 84 ALA H 1.800 . 3.500 2.769 2.678 2.869 . 0 0 "[ . 1 . 2]" 1
533 1 83 THR HA 1 84 ALA H 1.800 . 4.200 3.604 3.582 3.636 . 0 0 "[ . 1 . 2]" 1
534 2 83 THR HA 2 84 ALA H 1.800 . 4.200 3.604 3.582 3.634 . 0 0 "[ . 1 . 2]" 1
535 1 83 THR HB 1 84 ALA H 1.800 . 4.200 3.576 3.522 3.668 . 0 0 "[ . 1 . 2]" 1
536 2 83 THR HB 2 84 ALA H 1.800 . 4.200 3.577 3.522 3.674 . 0 0 "[ . 1 . 2]" 1
537 1 83 THR MG 1 84 ALA H 1.800 . 4.200 4.079 3.969 4.147 . 0 0 "[ . 1 . 2]" 1
538 2 83 THR MG 2 84 ALA H 1.800 . 4.200 4.078 3.970 4.141 . 0 0 "[ . 1 . 2]" 1
539 1 84 ALA H 1 85 CYS H 1.800 . 3.500 2.624 2.490 2.719 . 0 0 "[ . 1 . 2]" 1
540 2 84 ALA H 2 85 CYS H 1.800 . 3.500 2.625 2.493 2.716 . 0 0 "[ . 1 . 2]" 1
541 1 84 ALA HA 1 85 CYS H 1.800 . 4.200 3.541 3.489 3.574 . 0 0 "[ . 1 . 2]" 1
542 2 84 ALA HA 2 85 CYS H 1.800 . 4.200 3.542 3.490 3.576 . 0 0 "[ . 1 . 2]" 1
543 1 84 ALA MB 1 85 CYS H 1.800 . 3.500 2.542 2.320 2.721 . 0 0 "[ . 1 . 2]" 1
544 2 84 ALA MB 2 85 CYS H 1.800 . 3.500 2.542 2.317 2.752 . 0 0 "[ . 1 . 2]" 1
545 1 85 CYS H 1 86 HIS H 1.800 . 3.500 2.558 2.438 2.725 . 0 0 "[ . 1 . 2]" 1
546 2 85 CYS H 2 86 HIS H 1.800 . 3.500 2.558 2.436 2.731 . 0 0 "[ . 1 . 2]" 1
547 1 85 CYS HA 1 86 HIS H 1.800 . 5.000 3.434 3.326 3.568 . 0 0 "[ . 1 . 2]" 1
548 2 85 CYS HA 2 86 HIS H 1.800 . 5.000 3.433 3.324 3.568 . 0 0 "[ . 1 . 2]" 1
549 1 85 CYS QB 1 86 HIS H 1.800 . 4.200 3.064 2.483 3.837 . 0 0 "[ . 1 . 2]" 1
550 2 85 CYS QB 2 86 HIS H 1.800 . 4.200 3.071 2.484 3.837 . 0 0 "[ . 1 . 2]" 1
551 1 86 HIS H 1 87 GLU H 1.800 . 5.000 2.234 2.088 2.468 . 0 0 "[ . 1 . 2]" 1
552 2 86 HIS H 2 87 GLU H 1.800 . 5.000 2.234 2.086 2.468 . 0 0 "[ . 1 . 2]" 1
553 1 86 HIS QB 1 87 GLU H 1.800 . 4.200 2.753 2.466 3.448 . 0 0 "[ . 1 . 2]" 1
554 2 86 HIS QB 2 87 GLU H 1.800 . 4.200 2.751 2.472 3.446 . 0 0 "[ . 1 . 2]" 1
555 1 86 HIS HD2 1 87 GLU HA 1.800 . 5.000 4.570 3.648 5.070 0.070 9 0 "[ . 1 . 2]" 1
556 2 86 HIS HD2 2 87 GLU HA 1.800 . 5.000 4.570 3.647 5.079 0.079 9 0 "[ . 1 . 2]" 1
557 1 87 GLU H 1 88 PHE H 1.800 . 5.000 2.556 2.359 2.729 . 0 0 "[ . 1 . 2]" 1
558 2 87 GLU H 2 88 PHE H 1.800 . 5.000 2.555 2.360 2.728 . 0 0 "[ . 1 . 2]" 1
559 1 87 GLU HA 1 88 PHE H 1.800 . 3.500 3.540 3.477 3.580 0.080 3 0 "[ . 1 . 2]" 1
560 2 87 GLU HA 2 88 PHE H 1.800 . 3.500 3.540 3.479 3.574 0.074 19 0 "[ . 1 . 2]" 1
561 1 87 GLU QB 1 88 PHE H 1.800 . 5.000 2.744 2.310 3.608 . 0 0 "[ . 1 . 2]" 1
562 2 87 GLU QB 2 88 PHE H 1.800 . 5.000 2.741 2.308 3.605 . 0 0 "[ . 1 . 2]" 1
563 1 87 GLU QG 1 88 PHE H 1.800 . 3.500 3.145 1.901 3.576 0.076 8 0 "[ . 1 . 2]" 1
564 2 87 GLU QG 2 88 PHE H 1.800 . 3.500 3.144 1.909 3.578 0.078 8 0 "[ . 1 . 2]" 1
565 1 88 PHE HA 1 89 PHE H 1.800 . 4.200 3.565 3.505 3.598 . 0 0 "[ . 1 . 2]" 1
566 2 88 PHE HA 2 89 PHE H 1.800 . 4.200 3.565 3.502 3.594 . 0 0 "[ . 1 . 2]" 1
567 1 88 PHE QB 1 89 PHE H 1.800 . 4.200 2.459 2.153 2.854 . 0 0 "[ . 1 . 2]" 1
568 2 88 PHE QB 2 89 PHE H 1.800 . 4.200 2.459 2.145 2.852 . 0 0 "[ . 1 . 2]" 1
569 1 91 HIS HA 1 92 GLU H 1.800 . 3.500 2.239 2.210 2.269 . 0 0 "[ . 1 . 2]" 1
570 2 91 HIS HA 2 92 GLU H 1.800 . 3.500 2.238 2.213 2.269 . 0 0 "[ . 1 . 2]" 1
571 1 91 HIS QB 1 92 GLU H 1.800 . 4.200 3.915 3.658 4.018 . 0 0 "[ . 1 . 2]" 1
572 2 91 HIS QB 2 92 GLU H 1.800 . 4.200 3.915 3.659 4.017 . 0 0 "[ . 1 . 2]" 1
573 1 2 SER QB 1 6 LYS QE 1.800 . 4.200 4.009 2.660 4.368 0.168 14 0 "[ . 1 . 2]" 1
574 2 2 SER QB 2 6 LYS QE 1.800 . 4.200 4.013 2.676 4.366 0.166 14 0 "[ . 1 . 2]" 1
575 1 2 SER HA 1 4 LEU H 1.800 . 4.200 3.556 3.161 4.292 0.092 15 0 "[ . 1 . 2]" 1
576 2 2 SER HA 2 4 LEU H 1.800 . 4.200 3.558 3.168 4.291 0.091 15 0 "[ . 1 . 2]" 1
577 1 3 GLU H 1 5 GLU H 1.800 . 6.000 4.152 3.865 4.319 . 0 0 "[ . 1 . 2]" 1
578 2 3 GLU H 2 5 GLU H 1.800 . 6.000 4.152 3.869 4.318 . 0 0 "[ . 1 . 2]" 1
579 1 2 SER H 1 5 GLU H 1.800 . 6.000 4.418 2.434 5.213 . 0 0 "[ . 1 . 2]" 1
580 2 2 SER H 2 5 GLU H 1.800 . 6.000 4.419 2.427 5.212 . 0 0 "[ . 1 . 2]" 1
581 1 2 SER HA 1 6 LYS H 1.800 . 6.000 5.541 4.585 5.951 . 0 0 "[ . 1 . 2]" 1
582 2 2 SER HA 2 6 LYS H 1.800 . 6.000 5.539 4.579 5.947 . 0 0 "[ . 1 . 2]" 1
583 1 2 SER H 1 6 LYS H 1.800 . 6.000 5.596 4.289 6.223 0.223 10 0 "[ . 1 . 2]" 1
584 2 2 SER H 2 6 LYS H 1.800 . 6.000 5.595 4.284 6.219 0.219 10 0 "[ . 1 . 2]" 1
585 1 3 GLU QG 1 6 LYS QE 1.800 . 4.200 3.481 2.735 4.247 0.047 6 0 "[ . 1 . 2]" 1
586 2 3 GLU QG 2 6 LYS QE 1.800 . 4.200 3.482 2.735 4.254 0.054 6 0 "[ . 1 . 2]" 1
587 1 3 GLU H 1 6 LYS H 1.800 . 6.000 5.164 4.791 5.514 . 0 0 "[ . 1 . 2]" 1
588 2 3 GLU H 2 6 LYS H 1.800 . 6.000 5.164 4.792 5.515 . 0 0 "[ . 1 . 2]" 1
589 1 3 GLU QG 1 6 LYS QB 1.800 . 5.000 4.733 3.887 5.038 0.038 7 0 "[ . 1 . 2]" 1
590 2 3 GLU QG 2 6 LYS QB 1.800 . 5.000 4.738 3.916 5.038 0.038 7 0 "[ . 1 . 2]" 1
591 1 3 GLU QB 1 6 LYS QB 1.800 . 5.000 4.351 3.820 4.699 . 0 0 "[ . 1 . 2]" 1
592 2 3 GLU QB 2 6 LYS QB 1.800 . 5.000 4.349 3.788 4.694 . 0 0 "[ . 1 . 2]" 1
593 1 3 GLU QG 1 6 LYS QD 1.800 . 5.000 4.327 3.366 5.045 0.045 1 0 "[ . 1 . 2]" 1
594 2 3 GLU QG 2 6 LYS QD 1.800 . 5.000 4.327 3.368 5.048 0.048 10 0 "[ . 1 . 2]" 1
595 1 4 LEU HA 1 6 LYS H 1.800 . 5.000 4.091 3.832 4.572 . 0 0 "[ . 1 . 2]" 1
596 2 4 LEU HA 2 6 LYS H 1.800 . 5.000 4.092 3.824 4.562 . 0 0 "[ . 1 . 2]" 1
597 1 4 LEU H 1 6 LYS H 1.800 . 5.000 4.145 3.864 4.587 . 0 0 "[ . 1 . 2]" 1
598 2 4 LEU H 2 6 LYS H 1.800 . 5.000 4.146 3.859 4.586 . 0 0 "[ . 1 . 2]" 1
599 1 4 LEU QB 1 6 LYS QB 1.800 . 6.000 5.932 5.639 6.113 0.113 16 0 "[ . 1 . 2]" 1
600 2 4 LEU QB 2 6 LYS QB 1.800 . 6.000 5.933 5.637 6.116 0.116 16 0 "[ . 1 . 2]" 1
601 1 4 LEU QB 1 6 LYS QE 1.800 . 6.000 5.850 5.497 6.046 0.046 10 0 "[ . 1 . 2]" 1
602 2 4 LEU QB 2 6 LYS QE 1.800 . 6.000 5.852 5.496 6.051 0.051 10 0 "[ . 1 . 2]" 1
603 1 5 GLU H 1 7 ALA H 1.800 . 5.000 4.160 3.983 4.366 . 0 0 "[ . 1 . 2]" 1
604 2 5 GLU H 2 7 ALA H 1.800 . 5.000 4.159 3.975 4.368 . 0 0 "[ . 1 . 2]" 1
605 1 4 LEU HA 1 7 ALA H 1.800 . 3.500 3.371 3.133 3.568 0.068 4 0 "[ . 1 . 2]" 1
606 2 4 LEU HA 2 7 ALA H 1.800 . 3.500 3.371 3.127 3.566 0.066 4 0 "[ . 1 . 2]" 1
607 1 4 LEU HA 1 7 ALA MB 1.800 . 5.000 2.792 2.503 3.199 . 0 0 "[ . 1 . 2]" 1
608 2 4 LEU HA 2 7 ALA MB 1.800 . 5.000 2.787 2.547 3.096 . 0 0 "[ . 1 . 2]" 1
609 1 6 LYS H 1 8 MET H 1.800 . 5.000 4.310 4.077 4.673 . 0 0 "[ . 1 . 2]" 1
610 2 6 LYS H 2 8 MET H 1.800 . 5.000 4.306 4.079 4.667 . 0 0 "[ . 1 . 2]" 1
611 1 4 LEU QD 1 8 MET ME 1.800 . 6.000 2.608 2.158 3.745 . 0 0 "[ . 1 . 2]" 1
612 2 4 LEU QD 2 8 MET ME 1.800 . 6.000 2.610 2.163 3.732 . 0 0 "[ . 1 . 2]" 1
613 1 4 LEU HG 1 8 MET ME 1.800 . 4.200 4.110 3.675 4.313 0.113 2 0 "[ . 1 . 2]" 1
614 2 4 LEU HG 2 8 MET ME 1.800 . 4.200 4.105 3.656 4.325 0.125 2 0 "[ . 1 . 2]" 1
615 1 4 LEU QD 1 8 MET QG 1.800 . 6.000 3.229 2.306 4.285 . 0 0 "[ . 1 . 2]" 1
616 2 4 LEU QD 2 8 MET QG 1.800 . 6.000 3.215 2.304 4.280 . 0 0 "[ . 1 . 2]" 1
617 1 7 ALA H 1 9 VAL H 1.800 . 5.000 4.106 3.975 4.178 . 0 0 "[ . 1 . 2]" 1
618 2 7 ALA H 2 9 VAL H 1.800 . 5.000 4.106 3.970 4.178 . 0 0 "[ . 1 . 2]" 1
619 1 6 LYS H 1 9 VAL H 1.800 . 5.000 4.752 4.526 4.900 . 0 0 "[ . 1 . 2]" 1
620 2 6 LYS H 2 9 VAL H 1.800 . 5.000 4.753 4.526 4.899 . 0 0 "[ . 1 . 2]" 1
621 1 5 GLU H 1 9 VAL H 1.800 . 6.000 6.026 5.742 6.142 0.142 17 0 "[ . 1 . 2]" 1
622 2 5 GLU H 2 9 VAL H 1.800 . 6.000 6.027 5.742 6.147 0.147 17 0 "[ . 1 . 2]" 1
623 1 7 ALA HA 1 9 VAL H 1.800 . 4.200 4.282 4.193 4.348 0.148 3 0 "[ . 1 . 2]" 1
624 2 7 ALA HA 2 9 VAL H 1.800 . 4.200 4.275 4.168 4.328 0.128 3 0 "[ . 1 . 2]" 1
625 1 6 LYS QB 1 9 VAL MG1 1.800 . 6.000 5.264 4.569 5.770 . 0 0 "[ . 1 . 2]" 1
626 2 6 LYS QB 2 9 VAL MG1 1.800 . 6.000 5.265 4.575 5.769 . 0 0 "[ . 1 . 2]" 1
627 1 6 LYS QB 1 9 VAL MG2 1.800 . 6.000 5.234 4.965 5.502 . 0 0 "[ . 1 . 2]" 1
628 2 6 LYS QB 2 9 VAL MG2 1.800 . 6.000 5.234 4.948 5.512 . 0 0 "[ . 1 . 2]" 1
629 1 6 LYS H 1 10 ALA H 1.800 . 6.000 5.842 5.553 6.063 0.063 10 0 "[ . 1 . 2]" 1
630 2 6 LYS H 2 10 ALA H 1.800 . 6.000 5.844 5.555 6.064 0.064 10 0 "[ . 1 . 2]" 1
631 1 8 MET HA 1 10 ALA H 1.800 . 5.000 4.739 4.603 4.888 . 0 0 "[ . 1 . 2]" 1
632 2 8 MET HA 2 10 ALA H 1.800 . 5.000 4.739 4.603 4.889 . 0 0 "[ . 1 . 2]" 1
633 1 9 VAL HA 1 11 LEU H 1.800 . 4.200 4.173 4.080 4.247 0.047 10 0 "[ . 1 . 2]" 1
634 2 9 VAL HA 2 11 LEU H 1.800 . 4.200 4.172 4.057 4.247 0.047 10 0 "[ . 1 . 2]" 1
635 1 7 ALA HA 1 11 LEU H 1.800 . 4.200 3.927 3.694 4.170 . 0 0 "[ . 1 . 2]" 1
636 2 7 ALA HA 2 11 LEU H 1.800 . 4.200 3.927 3.690 4.172 . 0 0 "[ . 1 . 2]" 1
637 1 10 ALA H 1 12 ILE H 1.800 . 5.000 4.499 4.381 4.563 . 0 0 "[ . 1 . 2]" 1
638 2 10 ALA H 2 12 ILE H 1.800 . 5.000 4.500 4.387 4.567 . 0 0 "[ . 1 . 2]" 1
639 1 9 VAL H 1 12 ILE H 1.800 . 5.000 4.778 4.600 4.896 . 0 0 "[ . 1 . 2]" 1
640 2 9 VAL H 2 12 ILE H 1.800 . 5.000 4.778 4.598 4.897 . 0 0 "[ . 1 . 2]" 1
641 1 10 ALA HA 1 12 ILE H 1.800 . 5.000 4.918 4.712 5.025 0.025 4 0 "[ . 1 . 2]" 1
642 2 10 ALA HA 2 12 ILE H 1.800 . 5.000 4.917 4.718 5.027 0.027 2 0 "[ . 1 . 2]" 1
643 1 9 VAL HA 1 12 ILE H 1.800 . 3.500 3.530 3.362 3.600 0.100 9 0 "[ . 1 . 2]" 1
644 2 9 VAL HA 2 12 ILE H 1.800 . 3.500 3.530 3.365 3.600 0.100 9 0 "[ . 1 . 2]" 1
645 1 8 MET HA 1 12 ILE H 1.800 . 5.000 3.937 3.571 4.234 . 0 0 "[ . 1 . 2]" 1
646 2 8 MET HA 2 12 ILE H 1.800 . 5.000 3.937 3.573 4.235 . 0 0 "[ . 1 . 2]" 1
647 1 11 LEU H 1 13 ASP H 1.800 . 5.000 4.082 3.921 4.435 . 0 0 "[ . 1 . 2]" 1
648 2 11 LEU H 2 13 ASP H 1.800 . 5.000 4.080 3.918 4.438 . 0 0 "[ . 1 . 2]" 1
649 1 11 LEU HA 1 13 ASP H 1.800 . 6.000 3.943 3.756 4.391 . 0 0 "[ . 1 . 2]" 1
650 2 11 LEU HA 2 13 ASP H 1.800 . 6.000 3.943 3.750 4.393 . 0 0 "[ . 1 . 2]" 1
651 1 10 ALA HA 1 13 ASP H 1.800 . 5.000 4.058 3.922 4.297 . 0 0 "[ . 1 . 2]" 1
652 2 10 ALA HA 2 13 ASP H 1.800 . 5.000 4.054 3.916 4.295 . 0 0 "[ . 1 . 2]" 1
653 1 9 VAL HA 1 13 ASP H 1.800 . 5.000 4.491 4.258 4.816 . 0 0 "[ . 1 . 2]" 1
654 2 9 VAL HA 2 13 ASP H 1.800 . 5.000 4.489 4.260 4.818 . 0 0 "[ . 1 . 2]" 1
655 1 9 VAL QG 1 13 ASP QB 1.800 . 6.000 4.301 3.737 4.666 . 0 0 "[ . 1 . 2]" 1
656 2 9 VAL QG 2 13 ASP QB 1.800 . 6.000 4.301 3.755 4.667 . 0 0 "[ . 1 . 2]" 1
657 1 10 ALA HA 1 13 ASP QB 1.800 . 4.200 3.572 3.287 4.073 . 0 0 "[ . 1 . 2]" 1
658 2 10 ALA HA 2 13 ASP QB 1.800 . 4.200 3.566 3.286 4.055 . 0 0 "[ . 1 . 2]" 1
659 1 9 VAL MG1 1 13 ASP QB 1.800 . 6.000 4.380 3.794 4.762 . 0 0 "[ . 1 . 2]" 1
660 2 9 VAL MG1 2 13 ASP QB 1.800 . 6.000 4.381 3.815 4.762 . 0 0 "[ . 1 . 2]" 1
661 1 12 ILE H 1 14 VAL H 1.800 . 6.000 4.578 4.460 4.656 . 0 0 "[ . 1 . 2]" 1
662 2 12 ILE H 2 14 VAL H 1.800 . 6.000 4.579 4.460 4.661 . 0 0 "[ . 1 . 2]" 1
663 1 12 ILE HA 1 14 VAL H 1.800 . 5.000 4.850 4.703 4.961 . 0 0 "[ . 1 . 2]" 1
664 2 12 ILE HA 2 14 VAL H 1.800 . 5.000 4.851 4.701 4.968 . 0 0 "[ . 1 . 2]" 1
665 1 11 LEU HA 1 14 VAL H 1.800 . 5.000 3.166 3.036 3.267 . 0 0 "[ . 1 . 2]" 1
666 2 11 LEU HA 2 14 VAL H 1.800 . 5.000 3.168 3.031 3.277 . 0 0 "[ . 1 . 2]" 1
667 1 10 ALA HA 1 14 VAL H 1.800 . 5.000 4.753 4.643 4.848 . 0 0 "[ . 1 . 2]" 1
668 2 10 ALA HA 2 14 VAL H 1.800 . 5.000 4.750 4.644 4.849 . 0 0 "[ . 1 . 2]" 1
669 1 13 ASP QB 1 14 VAL MG1 1.800 . 6.000 4.922 4.748 5.093 . 0 0 "[ . 1 . 2]" 1
670 2 13 ASP QB 2 14 VAL MG1 1.800 . 6.000 4.922 4.741 5.098 . 0 0 "[ . 1 . 2]" 1
671 1 12 ILE H 1 15 PHE H 1.800 . 4.200 4.431 4.391 4.464 0.264 6 0 "[ . 1 . 2]" 1
672 2 12 ILE H 2 15 PHE H 1.800 . 4.200 4.431 4.391 4.464 0.264 6 0 "[ . 1 . 2]" 1
673 1 11 LEU H 1 15 PHE H 1.800 . 6.000 5.596 5.514 5.665 . 0 0 "[ . 1 . 2]" 1
674 2 11 LEU H 2 15 PHE H 1.800 . 6.000 5.596 5.515 5.665 . 0 0 "[ . 1 . 2]" 1
675 1 13 ASP HA 1 15 PHE H 1.800 . 4.200 4.275 4.198 4.335 0.135 10 0 "[ . 1 . 2]" 1
676 2 13 ASP HA 2 15 PHE H 1.800 . 4.200 4.276 4.198 4.334 0.134 10 0 "[ . 1 . 2]" 1
677 1 12 ILE HA 1 15 PHE H 1.800 . 4.200 3.569 3.426 3.716 . 0 0 "[ . 1 . 2]" 1
678 2 12 ILE HA 2 15 PHE H 1.800 . 4.200 3.570 3.426 3.717 . 0 0 "[ . 1 . 2]" 1
679 1 11 LEU HA 1 15 PHE H 1.800 . 5.000 3.445 3.292 3.619 . 0 0 "[ . 1 . 2]" 1
680 2 11 LEU HA 2 15 PHE H 1.800 . 5.000 3.445 3.293 3.613 . 0 0 "[ . 1 . 2]" 1
681 1 14 VAL H 1 16 HIS H 1.800 . 6.000 4.418 4.266 4.760 . 0 0 "[ . 1 . 2]" 1
682 2 14 VAL H 2 16 HIS H 1.800 . 6.000 4.420 4.261 4.764 . 0 0 "[ . 1 . 2]" 1
683 1 14 VAL HA 1 16 HIS H 1.800 . 6.000 4.648 4.491 4.871 . 0 0 "[ . 1 . 2]" 1
684 2 14 VAL HA 2 16 HIS H 1.800 . 6.000 4.651 4.491 4.869 . 0 0 "[ . 1 . 2]" 1
685 1 12 ILE HA 1 16 HIS H 1.800 . 5.000 3.529 3.231 3.926 . 0 0 "[ . 1 . 2]" 1
686 2 12 ILE HA 2 16 HIS H 1.800 . 5.000 3.529 3.226 3.930 . 0 0 "[ . 1 . 2]" 1
687 1 15 PHE H 1 17 GLN H 1.800 . 5.000 3.928 3.801 4.097 . 0 0 "[ . 1 . 2]" 1
688 2 15 PHE H 2 17 GLN H 1.800 . 5.000 3.927 3.803 4.098 . 0 0 "[ . 1 . 2]" 1
689 1 14 VAL H 1 17 GLN H 1.800 . 6.000 4.769 4.668 4.901 . 0 0 "[ . 1 . 2]" 1
690 2 14 VAL H 2 17 GLN H 1.800 . 6.000 4.768 4.660 4.905 . 0 0 "[ . 1 . 2]" 1
691 1 13 ASP H 1 17 GLN H 1.800 . 6.000 5.814 5.645 6.027 0.027 10 0 "[ . 1 . 2]" 1
692 2 13 ASP H 2 17 GLN H 1.800 . 6.000 5.814 5.644 6.028 0.028 10 0 "[ . 1 . 2]" 1
693 1 15 PHE HA 1 17 GLN H 1.800 . 5.000 4.553 4.379 4.779 . 0 0 "[ . 1 . 2]" 1
694 2 15 PHE HA 2 17 GLN H 1.800 . 5.000 4.552 4.374 4.772 . 0 0 "[ . 1 . 2]" 1
695 1 14 VAL HA 1 17 GLN H 1.800 . 3.500 3.540 3.511 3.576 0.076 16 0 "[ . 1 . 2]" 1
696 2 14 VAL HA 2 17 GLN H 1.800 . 3.500 3.540 3.513 3.574 0.074 16 0 "[ . 1 . 2]" 1
697 1 14 VAL MG1 1 17 GLN QG 1.800 . 6.000 4.959 4.030 5.492 . 0 0 "[ . 1 . 2]" 1
698 2 14 VAL MG1 2 17 GLN QG 1.800 . 6.000 4.964 4.073 5.504 . 0 0 "[ . 1 . 2]" 1
699 1 14 VAL MG2 1 17 GLN QG 1.800 . 6.000 4.728 4.241 5.384 . 0 0 "[ . 1 . 2]" 1
700 2 14 VAL MG2 2 17 GLN QG 1.800 . 6.000 4.730 4.230 5.381 . 0 0 "[ . 1 . 2]" 1
701 1 14 VAL HA 1 17 GLN QG 1.800 . 4.200 3.739 3.330 4.127 . 0 0 "[ . 1 . 2]" 1
702 2 14 VAL HA 2 17 GLN QG 1.800 . 4.200 3.740 3.330 4.134 . 0 0 "[ . 1 . 2]" 1
703 1 16 HIS H 1 18 TYR H 1.800 . 6.000 4.283 4.146 4.410 . 0 0 "[ . 1 . 2]" 1
704 2 16 HIS H 2 18 TYR H 1.800 . 6.000 4.285 4.148 4.408 . 0 0 "[ . 1 . 2]" 1
705 1 16 HIS HA 1 18 TYR H 1.800 . 5.000 4.367 4.164 4.552 . 0 0 "[ . 1 . 2]" 1
706 2 16 HIS HA 2 18 TYR H 1.800 . 5.000 4.368 4.163 4.554 . 0 0 "[ . 1 . 2]" 1
707 1 15 PHE HA 1 18 TYR H 1.800 . 5.000 3.978 3.846 4.340 . 0 0 "[ . 1 . 2]" 1
708 2 15 PHE HA 2 18 TYR H 1.800 . 5.000 3.978 3.854 4.340 . 0 0 "[ . 1 . 2]" 1
709 1 14 VAL HA 1 18 TYR H 1.800 . 5.000 3.838 3.663 4.215 . 0 0 "[ . 1 . 2]" 1
710 2 14 VAL HA 2 18 TYR H 1.800 . 5.000 3.839 3.660 4.215 . 0 0 "[ . 1 . 2]" 1
711 1 14 VAL HA 1 18 TYR QE 1.800 . 6.000 3.796 3.466 4.515 . 0 0 "[ . 1 . 2]" 1
712 2 14 VAL HA 2 18 TYR QE 1.800 . 6.000 3.797 3.463 4.521 . 0 0 "[ . 1 . 2]" 1
713 1 17 GLN H 1 20 GLY H 1.800 . 6.000 4.421 4.270 4.569 . 0 0 "[ . 1 . 2]" 1
714 2 17 GLN H 2 20 GLY H 1.800 . 6.000 4.420 4.272 4.566 . 0 0 "[ . 1 . 2]" 1
715 1 16 HIS HD2 1 20 GLY QA 1.800 . 5.000 3.720 2.374 4.991 . 0 0 "[ . 1 . 2]" 1
716 2 16 HIS HD2 2 20 GLY QA 1.800 . 5.000 3.721 2.376 4.983 . 0 0 "[ . 1 . 2]" 1
717 1 18 TYR HA 1 20 GLY H 1.800 . 4.200 3.863 3.659 4.227 0.027 16 0 "[ . 1 . 2]" 1
718 2 18 TYR HA 2 20 GLY H 1.800 . 4.200 3.863 3.660 4.225 0.025 16 0 "[ . 1 . 2]" 1
719 1 17 GLN HA 1 20 GLY H 1.800 . 4.200 4.012 3.704 4.213 0.013 11 0 "[ . 1 . 2]" 1
720 2 17 GLN HA 2 20 GLY H 1.800 . 4.200 4.013 3.706 4.212 0.012 11 0 "[ . 1 . 2]" 1
721 1 16 HIS HA 1 20 GLY H 1.800 . 4.200 3.349 2.998 3.663 . 0 0 "[ . 1 . 2]" 1
722 2 16 HIS HA 2 20 GLY H 1.800 . 4.200 3.348 3.004 3.663 . 0 0 "[ . 1 . 2]" 1
723 1 17 GLN QB 1 20 GLY QA 1.800 . 6.000 5.626 5.369 5.904 . 0 0 "[ . 1 . 2]" 1
724 2 17 GLN QB 2 20 GLY QA 1.800 . 6.000 5.627 5.368 5.902 . 0 0 "[ . 1 . 2]" 1
725 1 19 SER H 1 21 ARG H 1.800 . 6.000 4.021 3.909 4.159 . 0 0 "[ . 1 . 2]" 1
726 2 19 SER H 2 21 ARG H 1.800 . 6.000 4.021 3.910 4.157 . 0 0 "[ . 1 . 2]" 1
727 1 18 TYR H 1 21 ARG H 1.800 . 6.000 4.528 4.349 4.796 . 0 0 "[ . 1 . 2]" 1
728 2 18 TYR H 2 21 ARG H 1.800 . 6.000 4.527 4.353 4.795 . 0 0 "[ . 1 . 2]" 1
729 1 19 SER HA 1 21 ARG H 1.800 . 6.000 3.862 3.649 4.059 . 0 0 "[ . 1 . 2]" 1
730 2 19 SER HA 2 21 ARG H 1.800 . 6.000 3.862 3.646 4.060 . 0 0 "[ . 1 . 2]" 1
731 1 20 GLY H 1 22 GLU H 1.800 . 6.000 4.711 4.528 5.002 . 0 0 "[ . 1 . 2]" 1
732 2 20 GLY H 2 22 GLU H 1.800 . 6.000 4.710 4.522 5.002 . 0 0 "[ . 1 . 2]" 1
733 1 20 GLY QA 1 22 GLU H 1.800 . 5.000 3.865 3.567 4.225 . 0 0 "[ . 1 . 2]" 1
734 2 20 GLY QA 2 22 GLU H 1.800 . 5.000 3.865 3.566 4.224 . 0 0 "[ . 1 . 2]" 1
735 1 18 TYR HA 1 22 GLU H 1.800 . 5.000 5.108 5.022 5.186 0.186 14 0 "[ . 1 . 2]" 1
736 2 18 TYR HA 2 22 GLU H 1.800 . 5.000 5.107 5.019 5.183 0.183 14 0 "[ . 1 . 2]" 1
737 1 26 HIS HA 1 28 LEU H 1.800 . 6.000 6.147 6.038 6.303 0.303 16 0 "[ . 1 . 2]" 1
738 2 26 HIS HA 2 28 LEU H 1.800 . 6.000 6.148 6.040 6.302 0.302 16 0 "[ . 1 . 2]" 1
739 1 27 LYS HA 1 29 LYS H 1.800 . 6.000 6.046 5.914 6.150 0.150 11 0 "[ . 1 . 2]" 1
740 2 27 LYS HA 2 29 LYS H 1.800 . 6.000 6.046 5.914 6.147 0.147 4 0 "[ . 1 . 2]" 1
741 1 29 LYS QB 1 31 SER HA 1.800 . 5.000 4.952 4.725 5.044 0.044 8 0 "[ . 1 . 2]" 1
742 2 29 LYS QB 2 31 SER HA 1.800 . 5.000 4.952 4.724 5.044 0.044 8 0 "[ . 1 . 2]" 1
743 1 28 LEU HA 1 32 GLU H 1.800 . 6.000 5.395 5.075 5.645 . 0 0 "[ . 1 . 2]" 1
744 2 28 LEU HA 2 32 GLU H 1.800 . 6.000 5.397 5.075 5.648 . 0 0 "[ . 1 . 2]" 1
745 1 28 LEU HG 1 32 GLU H 1.800 . 6.000 5.522 4.690 6.286 0.286 3 0 "[ . 1 . 2]" 1
746 2 28 LEU HG 2 32 GLU H 1.800 . 6.000 5.521 4.684 6.283 0.283 3 0 "[ . 1 . 2]" 1
747 1 28 LEU MD2 1 32 GLU H 1.800 . 5.000 4.485 3.337 5.082 0.082 14 0 "[ . 1 . 2]" 1
748 2 28 LEU MD2 2 32 GLU H 1.800 . 5.000 4.489 3.343 5.075 0.075 14 0 "[ . 1 . 2]" 1
749 1 30 LYS HA 1 32 GLU H 1.800 . 5.000 3.465 3.347 3.667 . 0 0 "[ . 1 . 2]" 1
750 2 30 LYS HA 2 32 GLU H 1.800 . 5.000 3.464 3.345 3.665 . 0 0 "[ . 1 . 2]" 1
751 1 31 SER HA 1 33 LEU H 1.800 . 5.000 4.673 4.327 4.977 . 0 0 "[ . 1 . 2]" 1
752 2 31 SER HA 2 33 LEU H 1.800 . 5.000 4.673 4.328 4.981 . 0 0 "[ . 1 . 2]" 1
753 1 30 LYS HA 1 33 LEU H 1.800 . 4.200 2.844 2.686 3.017 . 0 0 "[ . 1 . 2]" 1
754 2 30 LYS HA 2 33 LEU H 1.800 . 4.200 2.845 2.681 3.019 . 0 0 "[ . 1 . 2]" 1
755 1 30 LYS HA 1 33 LEU MD1 1.800 . 5.000 3.924 3.502 5.075 0.075 4 0 "[ . 1 . 2]" 1
756 2 30 LYS HA 2 33 LEU MD1 1.800 . 5.000 3.932 3.506 5.078 0.078 4 0 "[ . 1 . 2]" 1
757 1 30 LYS HA 1 33 LEU MD2 1.800 . 6.000 4.560 3.376 5.066 . 0 0 "[ . 1 . 2]" 1
758 2 30 LYS HA 2 33 LEU MD2 1.800 . 6.000 4.559 3.373 5.064 . 0 0 "[ . 1 . 2]" 1
759 1 30 LYS HA 1 33 LEU QB 1.800 . 6.000 2.401 2.256 2.593 . 0 0 "[ . 1 . 2]" 1
760 2 30 LYS HA 2 33 LEU QB 1.800 . 6.000 2.402 2.256 2.597 . 0 0 "[ . 1 . 2]" 1
761 1 30 LYS QD 1 33 LEU MD2 1.800 . 6.000 5.951 4.624 6.086 0.086 5 0 "[ . 1 . 2]" 1
762 2 30 LYS QD 2 33 LEU MD2 1.800 . 6.000 5.948 4.624 6.083 0.083 5 0 "[ . 1 . 2]" 1
763 1 28 LEU MD1 1 33 LEU HA 1.800 . 6.000 4.623 2.596 6.098 0.098 11 0 "[ . 1 . 2]" 1
764 1 28 LEU MD2 1 33 LEU HA 1.800 . 6.000 3.342 2.278 4.677 . 0 0 "[ . 1 . 2]" 1
765 1 32 GLU H 1 34 LYS H 1.800 . 6.000 3.919 3.576 4.141 . 0 0 "[ . 1 . 2]" 1
766 2 32 GLU H 2 34 LYS H 1.800 . 6.000 3.919 3.571 4.138 . 0 0 "[ . 1 . 2]" 1
767 1 32 GLU HA 1 34 LYS H 1.800 . 5.000 4.797 4.377 5.072 0.072 20 0 "[ . 1 . 2]" 1
768 2 32 GLU HA 2 34 LYS H 1.800 . 5.000 4.797 4.374 5.072 0.072 20 0 "[ . 1 . 2]" 1
769 1 31 SER HA 1 34 LYS H 1.800 . 4.200 4.207 4.130 4.270 0.070 8 0 "[ . 1 . 2]" 1
770 2 31 SER HA 2 34 LYS H 1.800 . 4.200 4.207 4.133 4.270 0.070 16 0 "[ . 1 . 2]" 1
771 1 33 LEU H 1 35 GLU H 1.800 . 4.200 3.855 3.652 3.992 . 0 0 "[ . 1 . 2]" 1
772 2 33 LEU H 2 35 GLU H 1.800 . 4.200 3.857 3.653 3.991 . 0 0 "[ . 1 . 2]" 1
773 1 32 GLU H 1 35 GLU H 1.800 . 5.000 4.210 4.100 4.368 . 0 0 "[ . 1 . 2]" 1
774 2 32 GLU H 2 35 GLU H 1.800 . 5.000 4.210 4.100 4.365 . 0 0 "[ . 1 . 2]" 1
775 1 33 LEU HA 1 35 GLU H 1.800 . 4.200 4.421 4.337 4.512 0.312 4 0 "[ . 1 . 2]" 1
776 2 33 LEU HA 2 35 GLU H 1.800 . 4.200 4.420 4.334 4.512 0.312 4 0 "[ . 1 . 2]" 1
777 1 32 GLU HA 1 35 GLU H 1.800 . 6.000 3.496 3.364 3.791 . 0 0 "[ . 1 . 2]" 1
778 2 32 GLU HA 2 35 GLU H 1.800 . 6.000 3.497 3.366 3.790 . 0 0 "[ . 1 . 2]" 1
779 1 31 SER HA 1 35 GLU H 1.800 . 5.000 3.852 3.644 4.060 . 0 0 "[ . 1 . 2]" 1
780 2 31 SER HA 2 35 GLU H 1.800 . 5.000 3.853 3.645 4.061 . 0 0 "[ . 1 . 2]" 1
781 1 34 LYS H 1 36 LEU H 1.800 . 4.200 4.026 3.755 4.247 0.047 11 0 "[ . 1 . 2]" 1
782 2 34 LYS H 2 36 LEU H 1.800 . 4.200 4.026 3.754 4.248 0.048 11 0 "[ . 1 . 2]" 1
783 1 33 LEU H 1 36 LEU H 1.800 . 5.000 4.298 4.243 4.369 . 0 0 "[ . 1 . 2]" 1
784 2 33 LEU H 2 36 LEU H 1.800 . 5.000 4.298 4.251 4.371 . 0 0 "[ . 1 . 2]" 1
785 1 34 LYS HA 1 36 LEU H 1.800 . 5.000 4.421 4.236 4.699 . 0 0 "[ . 1 . 2]" 1
786 2 34 LYS HA 2 36 LEU H 1.800 . 5.000 4.421 4.240 4.696 . 0 0 "[ . 1 . 2]" 1
787 1 33 LEU HA 1 36 LEU H 1.800 . 4.200 3.491 3.409 3.634 . 0 0 "[ . 1 . 2]" 1
788 2 33 LEU HA 2 36 LEU H 1.800 . 4.200 3.490 3.410 3.634 . 0 0 "[ . 1 . 2]" 1
789 1 32 GLU HA 1 36 LEU H 1.800 . 4.200 3.351 3.144 3.643 . 0 0 "[ . 1 . 2]" 1
790 2 32 GLU HA 2 36 LEU H 1.800 . 4.200 3.352 3.144 3.644 . 0 0 "[ . 1 . 2]" 1
791 1 32 GLU HA 1 36 LEU QB 1.800 . 3.500 3.669 3.573 3.777 0.277 20 0 "[ . 1 . 2]" 1
792 2 32 GLU HA 2 36 LEU QB 1.800 . 3.500 3.668 3.575 3.776 0.276 20 0 "[ . 1 . 2]" 1
793 1 35 GLU H 1 37 ILE H 1.800 . 5.000 3.930 3.731 4.093 . 0 0 "[ . 1 . 2]" 1
794 2 35 GLU H 2 37 ILE H 1.800 . 5.000 3.930 3.736 4.092 . 0 0 "[ . 1 . 2]" 1
795 1 35 GLU HA 1 37 ILE H 1.800 . 4.200 4.201 3.961 4.286 0.086 6 0 "[ . 1 . 2]" 1
796 2 35 GLU HA 2 37 ILE H 1.800 . 4.200 4.202 3.965 4.274 0.074 6 0 "[ . 1 . 2]" 1
797 1 34 LYS HA 1 37 ILE H 1.800 . 4.200 3.601 3.356 3.793 . 0 0 "[ . 1 . 2]" 1
798 2 34 LYS HA 2 37 ILE H 1.800 . 4.200 3.603 3.362 3.794 . 0 0 "[ . 1 . 2]" 1
799 1 33 LEU HA 1 37 ILE H 1.800 . 4.200 3.918 3.635 4.112 . 0 0 "[ . 1 . 2]" 1
800 2 33 LEU HA 2 37 ILE H 1.800 . 4.200 3.914 3.617 4.108 . 0 0 "[ . 1 . 2]" 1
801 1 34 LYS HA 1 37 ILE MG 1.800 . 5.000 3.990 3.626 4.161 . 0 0 "[ . 1 . 2]" 1
802 2 34 LYS HA 2 37 ILE MG 1.800 . 5.000 3.986 3.625 4.163 . 0 0 "[ . 1 . 2]" 1
803 1 33 LEU QB 1 37 ILE MD 1.800 . 6.000 3.619 2.421 4.764 . 0 0 "[ . 1 . 2]" 1
804 2 33 LEU QB 2 37 ILE MD 1.800 . 6.000 3.615 2.407 4.758 . 0 0 "[ . 1 . 2]" 1
805 1 33 LEU MD2 1 37 ILE MD 1.800 . 5.000 2.357 1.850 3.965 . 0 0 "[ . 1 . 2]" 1
806 2 33 LEU MD2 2 37 ILE MD 1.800 . 5.000 2.355 1.838 3.950 . 0 0 "[ . 1 . 2]" 1
807 1 33 LEU MD2 1 37 ILE QG 1.800 . 6.000 2.736 1.976 4.917 . 0 0 "[ . 1 . 2]" 1
808 2 33 LEU MD2 2 37 ILE QG 1.800 . 6.000 2.735 1.976 4.914 . 0 0 "[ . 1 . 2]" 1
809 1 33 LEU MD2 1 37 ILE MG 1.800 . 6.000 4.438 2.146 6.169 0.169 11 0 "[ . 1 . 2]" 1
810 2 33 LEU MD2 2 37 ILE MG 1.800 . 6.000 4.437 2.146 6.167 0.167 11 0 "[ . 1 . 2]" 1
811 1 33 LEU HA 1 37 ILE MD 1.800 . 6.000 3.966 3.192 4.802 . 0 0 "[ . 1 . 2]" 1
812 2 33 LEU HA 2 37 ILE MD 1.800 . 6.000 3.963 3.170 4.802 . 0 0 "[ . 1 . 2]" 1
813 1 33 LEU HA 1 37 ILE MG 1.800 . 6.000 5.866 3.610 6.141 0.141 5 0 "[ . 1 . 2]" 1
814 2 33 LEU HA 2 37 ILE MG 1.800 . 6.000 5.864 3.595 6.142 0.142 5 0 "[ . 1 . 2]" 1
815 1 33 LEU HG 1 37 ILE MD 1.800 . 5.000 4.189 2.628 5.028 0.028 12 0 "[ . 1 . 2]" 1
816 2 33 LEU HG 2 37 ILE MD 1.800 . 5.000 4.187 2.629 5.019 0.019 12 0 "[ . 1 . 2]" 1
817 1 36 LEU H 1 38 ASN H 1.800 . 6.000 4.065 3.977 4.192 . 0 0 "[ . 1 . 2]" 1
818 2 36 LEU H 2 38 ASN H 1.800 . 6.000 4.064 3.978 4.188 . 0 0 "[ . 1 . 2]" 1
819 1 36 LEU HA 1 38 ASN H 1.800 . 5.000 4.428 4.234 4.609 . 0 0 "[ . 1 . 2]" 1
820 2 36 LEU HA 2 38 ASN H 1.800 . 5.000 4.428 4.239 4.607 . 0 0 "[ . 1 . 2]" 1
821 1 35 GLU HA 1 38 ASN H 1.800 . 3.500 3.373 3.060 3.515 0.015 8 0 "[ . 1 . 2]" 1
822 2 35 GLU HA 2 38 ASN H 1.800 . 3.500 3.372 3.061 3.512 0.012 8 0 "[ . 1 . 2]" 1
823 1 34 LYS HA 1 38 ASN H 1.800 . 4.200 4.219 3.954 4.292 0.092 10 0 "[ . 1 . 2]" 1
824 2 34 LYS HA 2 38 ASN H 1.800 . 4.200 4.219 3.943 4.291 0.091 13 0 "[ . 1 . 2]" 1
825 1 37 ILE H 1 39 ASN H 1.800 . 6.000 3.869 3.726 3.967 . 0 0 "[ . 1 . 2]" 1
826 2 37 ILE H 2 39 ASN H 1.800 . 6.000 3.870 3.729 3.970 . 0 0 "[ . 1 . 2]" 1
827 1 37 ILE HA 1 39 ASN H 1.800 . 5.000 4.327 4.091 4.523 . 0 0 "[ . 1 . 2]" 1
828 2 37 ILE HA 2 39 ASN H 1.800 . 5.000 4.327 4.085 4.525 . 0 0 "[ . 1 . 2]" 1
829 1 36 LEU HA 1 39 ASN H 1.800 . 5.000 3.391 3.179 3.741 . 0 0 "[ . 1 . 2]" 1
830 2 36 LEU HA 2 39 ASN H 1.800 . 5.000 3.391 3.182 3.740 . 0 0 "[ . 1 . 2]" 1
831 1 35 GLU HA 1 39 ASN H 1.800 . 6.000 3.954 3.492 4.367 . 0 0 "[ . 1 . 2]" 1
832 2 35 GLU HA 2 39 ASN H 1.800 . 6.000 3.953 3.492 4.368 . 0 0 "[ . 1 . 2]" 1
833 1 38 ASN H 1 40 GLU H 1.800 . 5.000 4.379 4.198 4.551 . 0 0 "[ . 1 . 2]" 1
834 2 38 ASN H 2 40 GLU H 1.800 . 5.000 4.380 4.198 4.558 . 0 0 "[ . 1 . 2]" 1
835 1 36 LEU H 1 40 GLU H 1.800 . 6.000 5.613 5.261 6.014 0.014 8 0 "[ . 1 . 2]" 1
836 2 36 LEU H 2 40 GLU H 1.800 . 6.000 5.614 5.261 6.011 0.011 8 0 "[ . 1 . 2]" 1
837 1 38 ASN HA 1 40 GLU H 1.800 . 6.000 4.966 4.422 5.119 . 0 0 "[ . 1 . 2]" 1
838 2 38 ASN HA 2 40 GLU H 1.800 . 6.000 4.966 4.424 5.118 . 0 0 "[ . 1 . 2]" 1
839 1 37 ILE HA 1 40 GLU H 1.800 . 5.000 4.134 3.751 4.481 . 0 0 "[ . 1 . 2]" 1
840 2 37 ILE HA 2 40 GLU H 1.800 . 5.000 4.134 3.752 4.486 . 0 0 "[ . 1 . 2]" 1
841 1 36 LEU HA 1 40 GLU H 1.800 . 5.000 3.307 2.898 3.992 . 0 0 "[ . 1 . 2]" 1
842 2 36 LEU HA 2 40 GLU H 1.800 . 5.000 3.308 2.900 3.993 . 0 0 "[ . 1 . 2]" 1
843 1 37 ILE HA 1 41 LEU H 1.800 . 6.000 3.020 2.672 3.353 . 0 0 "[ . 1 . 2]" 1
844 2 37 ILE HA 2 41 LEU H 1.800 . 6.000 3.022 2.678 3.350 . 0 0 "[ . 1 . 2]" 1
845 1 37 ILE HA 1 41 LEU QB 1.800 . 5.000 2.281 2.048 2.448 . 0 0 "[ . 1 . 2]" 1
846 2 37 ILE HA 2 41 LEU QB 1.800 . 5.000 2.278 2.048 2.436 . 0 0 "[ . 1 . 2]" 1
847 1 37 ILE HA 1 41 LEU MD2 1.800 . 6.000 3.949 2.332 4.404 . 0 0 "[ . 1 . 2]" 1
848 2 37 ILE HA 2 41 LEU MD2 1.800 . 6.000 3.949 2.329 4.401 . 0 0 "[ . 1 . 2]" 1
849 1 37 ILE HA 1 41 LEU HG 1.800 . 5.000 2.936 2.310 4.243 . 0 0 "[ . 1 . 2]" 1
850 2 37 ILE HA 2 41 LEU HG 1.800 . 5.000 2.931 2.312 4.225 . 0 0 "[ . 1 . 2]" 1
851 1 37 ILE QG 1 41 LEU HG 1.800 . 6.000 3.997 3.513 5.357 . 0 0 "[ . 1 . 2]" 1
852 2 37 ILE QG 2 41 LEU HG 1.800 . 6.000 3.990 3.514 5.346 . 0 0 "[ . 1 . 2]" 1
853 1 37 ILE MD 1 41 LEU HG 1.800 . 6.000 5.239 3.877 5.833 . 0 0 "[ . 1 . 2]" 1
854 2 37 ILE MD 2 41 LEU HG 1.800 . 6.000 5.231 3.881 5.815 . 0 0 "[ . 1 . 2]" 1
855 1 37 ILE MG 1 41 LEU HG 1.800 . 6.000 4.385 3.212 5.104 . 0 0 "[ . 1 . 2]" 1
856 2 37 ILE MG 2 41 LEU HG 1.800 . 6.000 4.386 3.194 5.101 . 0 0 "[ . 1 . 2]" 1
857 1 37 ILE MG 1 41 LEU QB 1.800 . 6.000 2.769 2.415 3.270 . 0 0 "[ . 1 . 2]" 1
858 2 37 ILE MG 2 41 LEU QB 1.800 . 6.000 2.771 2.409 3.269 . 0 0 "[ . 1 . 2]" 1
859 1 37 ILE MG 1 41 LEU MD1 1.800 . 6.000 3.753 2.290 5.358 . 0 0 "[ . 1 . 2]" 1
860 2 37 ILE MG 2 41 LEU MD1 1.800 . 6.000 3.761 2.308 5.355 . 0 0 "[ . 1 . 2]" 1
861 1 37 ILE H 1 41 LEU H 1.800 . 5.000 4.991 4.835 5.174 0.174 6 0 "[ . 1 . 2]" 1
862 2 37 ILE H 2 41 LEU H 1.800 . 5.000 4.992 4.837 5.178 0.178 6 0 "[ . 1 . 2]" 1
863 1 39 ASN HA 1 41 LEU H 1.800 . 6.000 5.738 5.425 5.911 . 0 0 "[ . 1 . 2]" 1
864 2 39 ASN HA 2 41 LEU H 1.800 . 6.000 5.738 5.426 5.914 . 0 0 "[ . 1 . 2]" 1
865 1 40 GLU H 1 42 SER H 1.800 . 6.000 3.745 3.323 3.956 . 0 0 "[ . 1 . 2]" 1
866 2 40 GLU H 2 42 SER H 1.800 . 6.000 3.744 3.322 3.959 . 0 0 "[ . 1 . 2]" 1
867 1 39 ASN H 1 42 SER H 1.800 . 6.000 4.949 4.561 5.073 . 0 0 "[ . 1 . 2]" 1
868 2 39 ASN H 2 42 SER H 1.800 . 6.000 4.949 4.561 5.069 . 0 0 "[ . 1 . 2]" 1
869 1 38 ASN H 1 42 SER H 1.800 . 6.000 5.949 5.579 6.054 0.054 9 0 "[ . 1 . 2]" 1
870 2 38 ASN H 2 42 SER H 1.800 . 6.000 5.950 5.583 6.053 0.053 11 0 "[ . 1 . 2]" 1
871 1 40 GLU HA 1 42 SER H 1.800 . 6.000 3.563 3.383 3.695 . 0 0 "[ . 1 . 2]" 1
872 2 40 GLU HA 2 42 SER H 1.800 . 6.000 3.561 3.384 3.697 . 0 0 "[ . 1 . 2]" 1
873 1 39 ASN HA 1 42 SER H 1.800 . 5.000 5.065 5.004 5.170 0.170 3 0 "[ . 1 . 2]" 1
874 2 39 ASN HA 2 42 SER H 1.800 . 5.000 5.066 4.993 5.159 0.159 3 0 "[ . 1 . 2]" 1
875 1 38 ASN HA 1 42 SER H 1.800 . 6.000 4.667 4.404 4.910 . 0 0 "[ . 1 . 2]" 1
876 2 38 ASN HA 2 42 SER H 1.800 . 6.000 4.668 4.405 4.905 . 0 0 "[ . 1 . 2]" 1
877 1 41 LEU HA 1 43 HIS H 1.800 . 6.000 3.372 3.168 3.490 . 0 0 "[ . 1 . 2]" 1
878 2 41 LEU HA 2 43 HIS H 1.800 . 6.000 3.376 3.179 3.493 . 0 0 "[ . 1 . 2]" 1
879 1 40 GLU HA 1 43 HIS H 1.800 . 6.000 5.081 4.627 5.350 . 0 0 "[ . 1 . 2]" 1
880 2 40 GLU HA 2 43 HIS H 1.800 . 6.000 5.078 4.620 5.340 . 0 0 "[ . 1 . 2]" 1
881 1 42 SER H 1 44 PHE H 1.800 . 6.000 3.902 3.709 4.107 . 0 0 "[ . 1 . 2]" 1
882 2 42 SER H 2 44 PHE H 1.800 . 6.000 3.902 3.709 4.108 . 0 0 "[ . 1 . 2]" 1
883 1 42 SER HA 1 44 PHE H 1.800 . 6.000 4.204 3.968 4.462 . 0 0 "[ . 1 . 2]" 1
884 2 42 SER HA 2 44 PHE H 1.800 . 6.000 4.206 3.966 4.464 . 0 0 "[ . 1 . 2]" 1
885 1 41 LEU HA 1 44 PHE H 1.800 . 6.000 3.202 2.866 3.431 . 0 0 "[ . 1 . 2]" 1
886 2 41 LEU HA 2 44 PHE H 1.800 . 6.000 3.202 2.868 3.432 . 0 0 "[ . 1 . 2]" 1
887 1 42 SER HA 1 45 LEU H 1.800 . 6.000 4.004 3.550 4.702 . 0 0 "[ . 1 . 2]" 1
888 2 42 SER HA 2 45 LEU H 1.800 . 6.000 4.002 3.552 4.703 . 0 0 "[ . 1 . 2]" 1
889 1 41 LEU HA 1 45 LEU H 1.800 . 6.000 3.390 3.205 3.809 . 0 0 "[ . 1 . 2]" 1
890 2 41 LEU HA 2 45 LEU H 1.800 . 6.000 3.389 3.198 3.810 . 0 0 "[ . 1 . 2]" 1
891 1 41 LEU QB 1 45 LEU QB 1.800 . 5.000 2.118 2.018 2.266 . 0 0 "[ . 1 . 2]" 1
892 2 41 LEU QB 2 45 LEU QB 1.800 . 5.000 2.118 2.016 2.264 . 0 0 "[ . 1 . 2]" 1
893 1 41 LEU QB 1 45 LEU MD1 1.800 . 6.000 3.752 2.141 4.727 . 0 0 "[ . 1 . 2]" 1
894 2 41 LEU QB 2 45 LEU MD1 1.800 . 6.000 3.750 2.145 4.726 . 0 0 "[ . 1 . 2]" 1
895 1 41 LEU HA 1 45 LEU HA 1.800 . 6.000 6.108 5.999 6.280 0.280 18 0 "[ . 1 . 2]" 1
896 2 41 LEU HA 2 45 LEU HA 1.800 . 6.000 6.107 5.998 6.282 0.282 18 0 "[ . 1 . 2]" 1
897 1 44 PHE HA 1 46 GLU H 1.800 . 6.000 6.019 5.917 6.150 0.150 15 0 "[ . 1 . 2]" 1
898 2 44 PHE HA 2 46 GLU H 1.800 . 6.000 6.018 5.909 6.150 0.150 15 0 "[ . 1 . 2]" 1
899 1 46 GLU H 1 48 ILE H 1.800 . 6.000 5.803 5.352 6.034 0.034 2 0 "[ . 1 . 2]" 1
900 2 46 GLU H 2 48 ILE H 1.800 . 6.000 5.805 5.345 6.032 0.032 12 0 "[ . 1 . 2]" 1
901 1 47 GLU QG 1 49 LYS QG 1.800 . 5.000 4.352 2.802 5.097 0.097 18 0 "[ . 1 . 2]" 1
902 2 47 GLU QG 2 49 LYS QG 1.800 . 5.000 4.358 2.817 5.096 0.096 18 0 "[ . 1 . 2]" 1
903 1 48 ILE HA 1 50 GLU H 1.800 . 4.200 3.537 3.342 3.690 . 0 0 "[ . 1 . 2]" 1
904 2 48 ILE HA 2 50 GLU H 1.800 . 4.200 3.537 3.342 3.697 . 0 0 "[ . 1 . 2]" 1
905 1 48 ILE MG 1 50 GLU QB 1.800 . 6.000 4.549 3.496 5.584 . 0 0 "[ . 1 . 2]" 1
906 2 48 ILE MG 2 50 GLU QB 1.800 . 6.000 4.550 3.487 5.587 . 0 0 "[ . 1 . 2]" 1
907 1 48 ILE MD 1 50 GLU QB 1.800 . 6.000 5.279 4.497 6.015 0.015 19 0 "[ . 1 . 2]" 1
908 2 48 ILE MD 2 50 GLU QB 1.800 . 6.000 5.279 4.490 6.026 0.026 19 0 "[ . 1 . 2]" 1
909 1 48 ILE MD 1 53 VAL HA 1.800 . 6.000 5.251 4.624 5.666 . 0 0 "[ . 1 . 2]" 1
910 2 48 ILE MD 2 53 VAL HA 1.800 . 6.000 5.250 4.622 5.658 . 0 0 "[ . 1 . 2]" 1
911 1 48 ILE MD 1 53 VAL HB 1.800 . 6.000 3.879 2.197 4.972 . 0 0 "[ . 1 . 2]" 1
912 2 48 ILE MD 2 53 VAL HB 1.800 . 6.000 3.874 2.196 5.005 . 0 0 "[ . 1 . 2]" 1
913 1 48 ILE MG 1 53 VAL HB 1.800 . 6.000 3.877 2.276 4.505 . 0 0 "[ . 1 . 2]" 1
914 2 48 ILE MG 2 53 VAL HB 1.800 . 6.000 3.876 2.277 4.495 . 0 0 "[ . 1 . 2]" 1
915 1 50 GLU QB 1 53 VAL HA 1.800 . 6.000 5.770 5.247 6.089 0.089 1 0 "[ . 1 . 2]" 1
916 2 50 GLU QB 2 53 VAL HA 1.800 . 6.000 5.770 5.250 6.086 0.086 1 0 "[ . 1 . 2]" 1
917 1 51 GLN HA 1 53 VAL H 1.800 . 4.200 3.863 3.681 4.137 . 0 0 "[ . 1 . 2]" 1
918 2 51 GLN HA 2 53 VAL H 1.800 . 4.200 3.861 3.681 4.135 . 0 0 "[ . 1 . 2]" 1
919 1 52 GLU H 1 54 VAL H 1.800 . 6.000 4.219 4.181 4.266 . 0 0 "[ . 1 . 2]" 1
920 2 52 GLU H 2 54 VAL H 1.800 . 6.000 4.219 4.183 4.264 . 0 0 "[ . 1 . 2]" 1
921 1 52 GLU HA 1 54 VAL H 1.800 . 4.200 4.409 4.307 4.540 0.340 9 0 "[ . 1 . 2]" 1
922 2 52 GLU HA 2 54 VAL H 1.800 . 4.200 4.409 4.307 4.539 0.339 9 0 "[ . 1 . 2]" 1
923 1 53 VAL H 1 55 ASP H 1.800 . 4.200 3.585 3.517 3.700 . 0 0 "[ . 1 . 2]" 1
924 2 53 VAL H 2 55 ASP H 1.800 . 4.200 3.584 3.522 3.699 . 0 0 "[ . 1 . 2]" 1
925 1 52 GLU H 1 55 ASP H 1.800 . 6.000 4.543 4.412 4.681 . 0 0 "[ . 1 . 2]" 1
926 2 52 GLU H 2 55 ASP H 1.800 . 6.000 4.543 4.411 4.683 . 0 0 "[ . 1 . 2]" 1
927 1 53 VAL HA 1 55 ASP H 1.800 . 3.500 3.715 3.675 3.762 0.262 20 0 "[ . 1 . 2]" 1
928 2 53 VAL HA 2 55 ASP H 1.800 . 3.500 3.714 3.674 3.762 0.262 20 0 "[ . 1 . 2]" 1
929 1 54 VAL H 1 56 LYS H 1.800 . 4.200 3.928 3.808 4.023 . 0 0 "[ . 1 . 2]" 1
930 2 54 VAL H 2 56 LYS H 1.800 . 4.200 3.929 3.807 4.022 . 0 0 "[ . 1 . 2]" 1
931 1 52 GLU H 1 56 LYS H 1.800 . 6.000 6.109 6.068 6.188 0.188 13 0 "[ . 1 . 2]" 1
932 2 52 GLU H 2 56 LYS H 1.800 . 6.000 6.109 6.067 6.181 0.181 13 0 "[ . 1 . 2]" 1
933 1 54 VAL HA 1 56 LYS H 1.800 . 4.200 4.126 3.957 4.215 0.015 12 0 "[ . 1 . 2]" 1
934 2 54 VAL HA 2 56 LYS H 1.800 . 4.200 4.127 3.961 4.221 0.021 12 0 "[ . 1 . 2]" 1
935 1 53 VAL HA 1 56 LYS H 1.800 . 4.200 2.876 2.717 3.003 . 0 0 "[ . 1 . 2]" 1
936 2 53 VAL HA 2 56 LYS H 1.800 . 4.200 2.876 2.718 3.002 . 0 0 "[ . 1 . 2]" 1
937 1 54 VAL H 1 57 VAL H 1.800 . 6.000 4.623 4.448 4.788 . 0 0 "[ . 1 . 2]" 1
938 2 54 VAL H 2 57 VAL H 1.800 . 6.000 4.624 4.449 4.789 . 0 0 "[ . 1 . 2]" 1
939 1 54 VAL HA 1 57 VAL H 1.800 . 3.500 3.369 3.123 3.544 0.044 18 0 "[ . 1 . 2]" 1
940 2 54 VAL HA 2 57 VAL H 1.800 . 3.500 3.371 3.121 3.544 0.044 18 0 "[ . 1 . 2]" 1
941 1 53 VAL HA 1 57 VAL H 1.800 . 3.500 3.578 3.518 3.655 0.155 13 0 "[ . 1 . 2]" 1
942 2 53 VAL HA 2 57 VAL H 1.800 . 3.500 3.578 3.519 3.659 0.159 13 0 "[ . 1 . 2]" 1
943 1 54 VAL HA 1 57 VAL MG1 1.800 . 5.000 2.072 2.021 2.120 . 0 0 "[ . 1 . 2]" 1
944 2 54 VAL HA 2 57 VAL MG1 1.800 . 5.000 2.073 2.027 2.123 . 0 0 "[ . 1 . 2]" 1
945 1 54 VAL HB 1 57 VAL MG1 1.800 . 5.000 4.315 4.214 4.456 . 0 0 "[ . 1 . 2]" 1
946 2 54 VAL HB 2 57 VAL MG1 1.800 . 5.000 4.316 4.214 4.457 . 0 0 "[ . 1 . 2]" 1
947 1 53 VAL HA 1 57 VAL MG1 1.800 . 6.000 5.178 4.942 5.390 . 0 0 "[ . 1 . 2]" 1
948 2 53 VAL HA 2 57 VAL MG1 1.800 . 6.000 5.180 4.944 5.393 . 0 0 "[ . 1 . 2]" 1
949 1 54 VAL HA 1 58 MET H 1.800 . 3.500 3.649 3.576 3.712 0.212 5 0 "[ . 1 . 2]" 1
950 2 54 VAL HA 2 58 MET H 1.800 . 3.500 3.649 3.573 3.713 0.213 5 0 "[ . 1 . 2]" 1
951 1 54 VAL HA 1 58 MET ME 1.800 . 6.000 5.536 5.256 5.891 . 0 0 "[ . 1 . 2]" 1
952 2 54 VAL HA 2 58 MET ME 1.800 . 6.000 5.536 5.257 5.892 . 0 0 "[ . 1 . 2]" 1
953 1 54 VAL HB 1 58 MET ME 1.800 . 6.000 6.090 5.993 6.172 0.172 4 0 "[ . 1 . 2]" 1
954 2 54 VAL HB 2 58 MET ME 1.800 . 6.000 6.090 5.996 6.176 0.176 4 0 "[ . 1 . 2]" 1
955 1 57 VAL HA 1 59 GLU H 1.800 . 4.200 4.044 3.766 4.234 0.034 7 0 "[ . 1 . 2]" 1
956 2 57 VAL HA 2 59 GLU H 1.800 . 4.200 4.044 3.764 4.236 0.036 7 0 "[ . 1 . 2]" 1
957 1 56 LYS QB 1 59 GLU QB 1.800 . 4.200 4.139 3.613 4.305 0.105 17 0 "[ . 1 . 2]" 1
958 2 56 LYS QB 2 59 GLU QB 1.800 . 4.200 4.138 3.606 4.314 0.114 17 0 "[ . 1 . 2]" 1
959 1 56 LYS QD 1 59 GLU QB 1.800 . 5.000 4.307 2.659 5.058 0.058 11 0 "[ . 1 . 2]" 1
960 2 56 LYS QD 2 59 GLU QB 1.800 . 5.000 4.305 2.664 5.059 0.059 11 0 "[ . 1 . 2]" 1
961 1 56 LYS QG 1 59 GLU QB 1.800 . 5.000 3.286 2.906 4.658 . 0 0 "[ . 1 . 2]" 1
962 2 56 LYS QG 2 59 GLU QB 1.800 . 5.000 3.286 2.905 4.655 . 0 0 "[ . 1 . 2]" 1
963 1 56 LYS QE 1 60 THR MG 1.800 . 6.000 4.494 3.537 6.045 0.045 9 0 "[ . 1 . 2]" 1
964 2 56 LYS QE 2 60 THR MG 1.800 . 6.000 4.491 3.538 6.041 0.041 9 0 "[ . 1 . 2]" 1
965 1 56 LYS QG 1 60 THR MG 1.800 . 6.000 5.562 4.700 6.062 0.062 16 0 "[ . 1 . 2]" 1
966 2 56 LYS QG 2 60 THR MG 1.800 . 6.000 5.562 4.707 6.057 0.057 16 0 "[ . 1 . 2]" 1
967 1 56 LYS QD 1 60 THR MG 1.800 . 6.000 5.273 4.358 6.092 0.092 11 0 "[ . 1 . 2]" 1
968 2 56 LYS QD 2 60 THR MG 1.800 . 6.000 5.271 4.361 6.099 0.099 11 0 "[ . 1 . 2]" 1
969 1 57 VAL HA 1 60 THR MG 1.800 . 5.000 4.455 4.072 4.684 . 0 0 "[ . 1 . 2]" 1
970 2 57 VAL HA 2 60 THR MG 1.800 . 5.000 4.459 4.076 4.684 . 0 0 "[ . 1 . 2]" 1
971 1 57 VAL HA 1 60 THR HB 1.800 . 3.500 3.041 2.604 3.269 . 0 0 "[ . 1 . 2]" 1
972 2 57 VAL HA 2 60 THR HB 1.800 . 3.500 3.045 2.608 3.268 . 0 0 "[ . 1 . 2]" 1
973 1 57 VAL HB 1 60 THR HB 1.800 . 6.000 5.546 5.181 5.830 . 0 0 "[ . 1 . 2]" 1
974 2 57 VAL HB 2 60 THR HB 1.800 . 6.000 5.553 5.165 5.837 . 0 0 "[ . 1 . 2]" 1
975 1 57 VAL MG2 1 60 THR HB 1.800 . 6.000 3.554 3.002 3.871 . 0 0 "[ . 1 . 2]" 1
976 2 57 VAL MG2 2 60 THR HB 1.800 . 6.000 3.565 3.028 3.851 . 0 0 "[ . 1 . 2]" 1
977 1 57 VAL HA 1 60 THR H 1.800 . 3.500 3.268 3.032 3.447 . 0 0 "[ . 1 . 2]" 1
978 2 57 VAL HA 2 60 THR H 1.800 . 3.500 3.268 3.034 3.451 . 0 0 "[ . 1 . 2]" 1
979 1 57 VAL H 1 60 THR H 1.800 . 5.000 4.897 4.721 4.995 . 0 0 "[ . 1 . 2]" 1
980 2 57 VAL H 2 60 THR H 1.800 . 5.000 4.897 4.719 4.992 . 0 0 "[ . 1 . 2]" 1
981 1 58 MET H 1 60 THR H 1.800 . 4.200 4.127 3.949 4.233 0.033 5 0 "[ . 1 . 2]" 1
982 2 58 MET H 2 60 THR H 1.800 . 4.200 4.128 3.949 4.235 0.035 5 0 "[ . 1 . 2]" 1
983 1 58 MET HA 1 60 THR H 1.800 . 4.200 4.096 3.902 4.275 0.075 18 0 "[ . 1 . 2]" 1
984 2 58 MET HA 2 60 THR H 1.800 . 4.200 4.097 3.909 4.276 0.076 18 0 "[ . 1 . 2]" 1
985 1 57 VAL MG1 1 61 LEU HG 1.800 . 6.000 4.350 3.825 5.901 . 0 0 "[ . 1 . 2]" 1
986 2 57 VAL MG1 2 61 LEU HG 1.800 . 6.000 4.350 3.839 5.911 . 0 0 "[ . 1 . 2]" 1
987 1 57 VAL MG1 1 61 LEU MD2 1.800 . 5.000 3.678 3.286 3.928 . 0 0 "[ . 1 . 2]" 1
988 2 57 VAL MG1 2 61 LEU MD2 1.800 . 5.000 3.669 3.259 3.934 . 0 0 "[ . 1 . 2]" 1
989 1 57 VAL MG2 1 61 LEU HG 1.800 . 6.000 3.692 3.116 5.866 . 0 0 "[ . 1 . 2]" 1
990 2 57 VAL MG2 2 61 LEU HG 1.800 . 6.000 3.696 3.159 5.845 . 0 0 "[ . 1 . 2]" 1
991 1 57 VAL MG2 1 61 LEU MD2 1.800 . 6.000 2.530 2.159 3.804 . 0 0 "[ . 1 . 2]" 1
992 2 57 VAL MG2 2 61 LEU MD2 1.800 . 6.000 2.528 2.153 3.777 . 0 0 "[ . 1 . 2]" 1
993 1 57 VAL H 1 61 LEU H 1.800 . 6.000 6.113 6.033 6.192 0.192 5 0 "[ . 1 . 2]" 1
994 2 57 VAL H 2 61 LEU H 1.800 . 6.000 6.115 6.034 6.192 0.192 5 0 "[ . 1 . 2]" 1
995 1 57 VAL HA 1 61 LEU H 1.800 . 4.200 4.176 4.039 4.243 0.043 8 0 "[ . 1 . 2]" 1
996 2 57 VAL HA 2 61 LEU H 1.800 . 4.200 4.177 4.041 4.249 0.049 6 0 "[ . 1 . 2]" 1
997 1 58 MET HA 1 61 LEU H 1.800 . 3.500 3.095 2.958 3.268 . 0 0 "[ . 1 . 2]" 1
998 2 58 MET HA 2 61 LEU H 1.800 . 3.500 3.094 2.957 3.274 . 0 0 "[ . 1 . 2]" 1
999 1 58 MET H 1 61 LEU H 1.800 . 5.000 4.595 4.514 4.695 . 0 0 "[ . 1 . 2]" 1
1000 2 58 MET H 2 61 LEU H 1.800 . 5.000 4.596 4.512 4.698 . 0 0 "[ . 1 . 2]" 1
1001 1 58 MET HA 1 61 LEU HG 1.800 . 5.000 4.763 4.576 5.087 0.087 11 0 "[ . 1 . 2]" 1
1002 2 58 MET HA 2 61 LEU HG 1.800 . 5.000 4.764 4.572 5.094 0.094 11 0 "[ . 1 . 2]" 1
1003 1 59 GLU H 1 61 LEU H 1.800 . 4.200 3.918 3.776 4.068 . 0 0 "[ . 1 . 2]" 1
1004 2 59 GLU H 2 61 LEU H 1.800 . 4.200 3.917 3.780 4.073 . 0 0 "[ . 1 . 2]" 1
1005 1 60 THR H 1 62 ASP H 1.800 . 4.200 4.098 3.902 4.230 0.030 19 0 "[ . 1 . 2]" 1
1006 2 60 THR H 2 62 ASP H 1.800 . 4.200 4.101 3.913 4.226 0.026 19 0 "[ . 1 . 2]" 1
1007 1 60 THR HA 1 62 ASP H 1.800 . 6.000 5.104 4.962 5.239 . 0 0 "[ . 1 . 2]" 1
1008 2 60 THR HA 2 62 ASP H 1.800 . 6.000 5.105 4.962 5.236 . 0 0 "[ . 1 . 2]" 1
1009 1 58 MET HA 1 62 ASP H 1.800 . 4.200 2.709 2.433 3.063 . 0 0 "[ . 1 . 2]" 1
1010 2 58 MET HA 2 62 ASP H 1.800 . 4.200 2.710 2.431 3.065 . 0 0 "[ . 1 . 2]" 1
1011 1 58 MET HA 1 62 ASP QB 1.800 . 5.000 3.466 2.929 4.449 . 0 0 "[ . 1 . 2]" 1
1012 2 58 MET HA 2 62 ASP QB 1.800 . 5.000 3.466 2.926 4.450 . 0 0 "[ . 1 . 2]" 1
1013 1 58 MET ME 1 62 ASP QB 1.800 . 6.000 4.328 3.831 5.036 . 0 0 "[ . 1 . 2]" 1
1014 2 58 MET ME 2 62 ASP QB 1.800 . 6.000 4.323 3.830 5.036 . 0 0 "[ . 1 . 2]" 1
1015 1 62 ASP HA 1 64 ASP H 1.800 . 4.200 3.696 3.388 3.946 . 0 0 "[ . 1 . 2]" 1
1016 2 62 ASP HA 2 64 ASP H 1.800 . 4.200 3.696 3.390 3.949 . 0 0 "[ . 1 . 2]" 1
1017 1 63 GLU H 1 65 GLY H 1.800 . 4.200 3.335 3.253 3.460 . 0 0 "[ . 1 . 2]" 1
1018 2 63 GLU H 2 65 GLY H 1.800 . 4.200 3.335 3.249 3.461 . 0 0 "[ . 1 . 2]" 1
1019 1 62 ASP H 1 65 GLY H 1.800 . 6.000 5.541 5.312 5.651 . 0 0 "[ . 1 . 2]" 1
1020 2 62 ASP H 2 65 GLY H 1.800 . 6.000 5.540 5.311 5.649 . 0 0 "[ . 1 . 2]" 1
1021 1 63 GLU HA 1 65 GLY H 1.800 . 5.000 3.594 3.485 3.677 . 0 0 "[ . 1 . 2]" 1
1022 2 63 GLU HA 2 65 GLY H 1.800 . 5.000 3.594 3.489 3.672 . 0 0 "[ . 1 . 2]" 1
1023 1 62 ASP HA 1 65 GLY H 1.800 . 3.500 3.708 3.622 3.759 0.259 13 0 "[ . 1 . 2]" 1
1024 2 62 ASP HA 2 65 GLY H 1.800 . 3.500 3.708 3.621 3.763 0.263 13 0 "[ . 1 . 2]" 1
1025 1 64 ASP H 1 66 ASP H 1.800 . 4.200 3.894 3.749 3.997 . 0 0 "[ . 1 . 2]" 1
1026 2 64 ASP H 2 66 ASP H 1.800 . 4.200 3.896 3.747 3.993 . 0 0 "[ . 1 . 2]" 1
1027 1 63 GLU H 1 66 ASP H 1.800 . 5.000 4.786 4.672 4.967 . 0 0 "[ . 1 . 2]" 1
1028 2 63 GLU H 2 66 ASP H 1.800 . 5.000 4.787 4.674 4.968 . 0 0 "[ . 1 . 2]" 1
1029 1 63 GLU HA 1 66 ASP H 1.800 . 6.000 6.139 6.087 6.189 0.189 9 0 "[ . 1 . 2]" 1
1030 2 63 GLU HA 2 66 ASP H 1.800 . 6.000 6.138 6.088 6.190 0.190 9 0 "[ . 1 . 2]" 1
1031 1 62 ASP HA 1 66 ASP H 1.800 . 4.200 4.168 3.938 4.313 0.113 9 0 "[ . 1 . 2]" 1
1032 2 62 ASP HA 2 66 ASP H 1.800 . 4.200 4.168 3.937 4.312 0.112 9 0 "[ . 1 . 2]" 1
1033 1 65 GLY H 1 67 GLY H 1.800 . 5.000 4.379 4.305 4.463 . 0 0 "[ . 1 . 2]" 1
1034 2 65 GLY H 2 67 GLY H 1.800 . 5.000 4.379 4.305 4.461 . 0 0 "[ . 1 . 2]" 1
1035 1 64 ASP H 1 67 GLY H 1.800 . 6.000 5.901 5.684 6.008 0.008 17 0 "[ . 1 . 2]" 1
1036 2 64 ASP H 2 67 GLY H 1.800 . 6.000 5.903 5.680 6.007 0.007 17 0 "[ . 1 . 2]" 1
1037 1 63 GLU H 1 67 GLY H 1.800 . 6.000 6.151 6.112 6.193 0.193 20 0 "[ . 1 . 2]" 1
1038 2 63 GLU H 2 67 GLY H 1.800 . 6.000 6.152 6.111 6.192 0.192 20 0 "[ . 1 . 2]" 1
1039 1 65 GLY QA 1 67 GLY H 1.800 . 5.000 3.154 3.066 3.251 . 0 0 "[ . 1 . 2]" 1
1040 2 65 GLY QA 2 67 GLY H 1.800 . 5.000 3.154 3.063 3.252 . 0 0 "[ . 1 . 2]" 1
1041 1 66 ASP H 1 68 GLU H 1.800 . 4.200 3.398 3.272 3.499 . 0 0 "[ . 1 . 2]" 1
1042 2 66 ASP H 2 68 GLU H 1.800 . 4.200 3.399 3.271 3.511 . 0 0 "[ . 1 . 2]" 1
1043 1 65 GLY H 1 68 GLU H 1.800 . 6.000 5.848 5.633 6.024 0.024 15 0 "[ . 1 . 2]" 1
1044 2 65 GLY H 2 68 GLU H 1.800 . 6.000 5.847 5.635 6.023 0.023 15 0 "[ . 1 . 2]" 1
1045 1 66 ASP HA 1 68 GLU H 1.800 . 5.000 4.040 3.875 4.216 . 0 0 "[ . 1 . 2]" 1
1046 2 66 ASP HA 2 68 GLU H 1.800 . 5.000 4.040 3.877 4.210 . 0 0 "[ . 1 . 2]" 1
1047 1 65 GLY QA 1 68 GLU H 1.800 . 6.000 5.224 5.039 5.411 . 0 0 "[ . 1 . 2]" 1
1048 2 65 GLY QA 2 68 GLU H 1.800 . 6.000 5.223 5.040 5.409 . 0 0 "[ . 1 . 2]" 1
1049 1 67 GLY QA 1 69 CYS H 1.800 . 6.000 6.031 5.872 6.101 0.101 4 0 "[ . 1 . 2]" 1
1050 2 67 GLY QA 2 69 CYS H 1.800 . 6.000 6.031 5.874 6.098 0.098 4 0 "[ . 1 . 2]" 1
1051 1 70 ASP H 1 73 GLU H 1.800 . 5.000 4.201 3.904 4.422 . 0 0 "[ . 1 . 2]" 1
1052 2 70 ASP H 2 73 GLU H 1.800 . 5.000 4.201 3.904 4.423 . 0 0 "[ . 1 . 2]" 1
1053 1 71 PHE HA 1 73 GLU H 1.800 . 5.000 4.414 4.085 4.713 . 0 0 "[ . 1 . 2]" 1
1054 2 71 PHE HA 2 73 GLU H 1.800 . 5.000 4.415 4.079 4.715 . 0 0 "[ . 1 . 2]" 1
1055 1 70 ASP HA 1 73 GLU H 1.800 . 6.000 5.040 4.721 5.230 . 0 0 "[ . 1 . 2]" 1
1056 2 70 ASP HA 2 73 GLU H 1.800 . 6.000 5.040 4.721 5.230 . 0 0 "[ . 1 . 2]" 1
1057 1 69 CYS HA 1 73 GLU H 1.800 . 6.000 4.986 4.605 5.258 . 0 0 "[ . 1 . 2]" 1
1058 2 69 CYS HA 2 73 GLU H 1.800 . 6.000 4.986 4.606 5.263 . 0 0 "[ . 1 . 2]" 1
1059 1 72 GLN H 1 74 PHE H 1.800 . 5.000 3.983 3.809 4.364 . 0 0 "[ . 1 . 2]" 1
1060 2 72 GLN H 2 74 PHE H 1.800 . 5.000 3.984 3.808 4.365 . 0 0 "[ . 1 . 2]" 1
1061 1 70 ASP H 1 74 PHE H 1.800 . 6.000 4.214 3.984 4.337 . 0 0 "[ . 1 . 2]" 1
1062 2 70 ASP H 2 74 PHE H 1.800 . 6.000 4.214 3.985 4.332 . 0 0 "[ . 1 . 2]" 1
1063 1 72 GLN HA 1 74 PHE H 1.800 . 5.000 4.706 4.581 4.832 . 0 0 "[ . 1 . 2]" 1
1064 2 72 GLN HA 2 74 PHE H 1.800 . 5.000 4.707 4.580 4.835 . 0 0 "[ . 1 . 2]" 1
1065 1 71 PHE HA 1 74 PHE H 1.800 . 4.200 3.577 3.312 3.728 . 0 0 "[ . 1 . 2]" 1
1066 2 71 PHE HA 2 74 PHE H 1.800 . 4.200 3.577 3.306 3.729 . 0 0 "[ . 1 . 2]" 1
1067 1 70 ASP HA 1 74 PHE H 1.800 . 5.000 4.849 4.621 5.004 0.004 12 0 "[ . 1 . 2]" 1
1068 2 70 ASP HA 2 74 PHE H 1.800 . 5.000 4.848 4.621 5.002 0.002 12 0 "[ . 1 . 2]" 1
1069 1 73 GLU H 1 75 MET H 1.800 . 4.200 4.008 3.784 4.212 0.012 12 0 "[ . 1 . 2]" 1
1070 2 73 GLU H 2 75 MET H 1.800 . 4.200 4.008 3.789 4.208 0.008 12 0 "[ . 1 . 2]" 1
1071 1 72 GLN H 1 75 MET H 1.800 . 5.000 4.835 4.715 4.924 . 0 0 "[ . 1 . 2]" 1
1072 2 72 GLN H 2 75 MET H 1.800 . 5.000 4.835 4.713 4.924 . 0 0 "[ . 1 . 2]" 1
1073 1 73 GLU HA 1 75 MET H 1.800 . 4.200 4.229 4.123 4.311 0.111 18 0 "[ . 1 . 2]" 1
1074 2 73 GLU HA 2 75 MET H 1.800 . 4.200 4.229 4.144 4.310 0.110 18 0 "[ . 1 . 2]" 1
1075 1 72 GLN HA 1 75 MET H 1.800 . 4.200 4.056 3.794 4.245 0.045 9 0 "[ . 1 . 2]" 1
1076 2 72 GLN HA 2 75 MET H 1.800 . 4.200 4.058 3.793 4.250 0.050 9 0 "[ . 1 . 2]" 1
1077 1 71 PHE HA 1 75 MET H 1.800 . 5.000 3.733 3.612 3.883 . 0 0 "[ . 1 . 2]" 1
1078 2 71 PHE HA 2 75 MET H 1.800 . 5.000 3.733 3.612 3.882 . 0 0 "[ . 1 . 2]" 1
1079 1 74 PHE H 1 76 ALA H 1.800 . 5.000 4.025 3.731 4.178 . 0 0 "[ . 1 . 2]" 1
1080 2 74 PHE H 2 76 ALA H 1.800 . 5.000 4.026 3.733 4.179 . 0 0 "[ . 1 . 2]" 1
1081 1 73 GLU H 1 76 ALA H 1.800 . 6.000 4.614 4.434 4.714 . 0 0 "[ . 1 . 2]" 1
1082 2 73 GLU H 2 76 ALA H 1.800 . 6.000 4.614 4.434 4.715 . 0 0 "[ . 1 . 2]" 1
1083 1 72 GLN H 1 76 ALA H 1.800 . 6.000 6.197 6.080 6.283 0.283 17 0 "[ . 1 . 2]" 1
1084 2 72 GLN H 2 76 ALA H 1.800 . 6.000 6.198 6.081 6.286 0.286 17 0 "[ . 1 . 2]" 1
1085 1 74 PHE HA 1 76 ALA H 1.800 . 4.200 4.289 3.821 4.412 0.212 19 0 "[ . 1 . 2]" 1
1086 2 74 PHE HA 2 76 ALA H 1.800 . 4.200 4.289 3.822 4.416 0.216 19 0 "[ . 1 . 2]" 1
1087 1 73 GLU HA 1 76 ALA H 1.800 . 3.500 3.041 2.906 3.310 . 0 0 "[ . 1 . 2]" 1
1088 2 73 GLU HA 2 76 ALA H 1.800 . 3.500 3.040 2.909 3.309 . 0 0 "[ . 1 . 2]" 1
1089 1 72 GLN HA 1 76 ALA H 1.800 . 5.000 4.685 4.413 4.848 . 0 0 "[ . 1 . 2]" 1
1090 2 72 GLN HA 2 76 ALA H 1.800 . 5.000 4.686 4.418 4.851 . 0 0 "[ . 1 . 2]" 1
1091 1 73 GLU HA 1 76 ALA MB 1.800 . 4.200 2.240 2.110 2.490 . 0 0 "[ . 1 . 2]" 1
1092 2 73 GLU HA 2 76 ALA MB 1.800 . 4.200 2.242 2.104 2.501 . 0 0 "[ . 1 . 2]" 1
1093 1 74 PHE HA 1 76 ALA MB 1.800 . 6.000 4.587 4.508 4.698 . 0 0 "[ . 1 . 2]" 1
1094 2 74 PHE HA 2 76 ALA MB 1.800 . 6.000 4.590 4.510 4.720 . 0 0 "[ . 1 . 2]" 1
1095 1 73 GLU HA 1 77 PHE H 1.800 . 5.000 4.642 4.442 4.854 . 0 0 "[ . 1 . 2]" 1
1096 2 73 GLU HA 2 77 PHE H 1.800 . 5.000 4.641 4.425 4.858 . 0 0 "[ . 1 . 2]" 1
1097 1 74 PHE H 1 77 PHE H 1.800 . 6.000 4.883 4.780 5.010 . 0 0 "[ . 1 . 2]" 1
1098 2 74 PHE H 2 77 PHE H 1.800 . 6.000 4.884 4.779 5.011 . 0 0 "[ . 1 . 2]" 1
1099 1 74 PHE HA 1 77 PHE H 1.800 . 3.500 3.364 3.219 3.472 . 0 0 "[ . 1 . 2]" 1
1100 2 74 PHE HA 2 77 PHE H 1.800 . 3.500 3.364 3.222 3.476 . 0 0 "[ . 1 . 2]" 1
1101 1 74 PHE HA 1 77 PHE QB 1.800 . 4.200 2.960 2.778 3.109 . 0 0 "[ . 1 . 2]" 1
1102 2 74 PHE HA 2 77 PHE QB 1.800 . 4.200 2.960 2.774 3.109 . 0 0 "[ . 1 . 2]" 1
1103 1 75 MET H 1 77 PHE H 1.800 . 5.000 3.899 3.807 3.967 . 0 0 "[ . 1 . 2]" 1
1104 2 75 MET H 2 77 PHE H 1.800 . 5.000 3.900 3.804 3.967 . 0 0 "[ . 1 . 2]" 1
1105 1 75 MET HA 1 77 PHE H 1.800 . 3.500 3.610 3.555 3.690 0.190 6 0 "[ . 1 . 2]" 1
1106 2 75 MET HA 2 77 PHE H 1.800 . 3.500 3.611 3.556 3.693 0.193 6 0 "[ . 1 . 2]" 1
1107 1 74 PHE HA 1 78 VAL H 1.800 . 5.000 4.951 4.727 5.045 0.045 15 0 "[ . 1 . 2]" 1
1108 2 74 PHE HA 2 78 VAL H 1.800 . 5.000 4.950 4.723 5.041 0.041 15 0 "[ . 1 . 2]" 1
1109 1 75 MET H 1 78 VAL H 1.800 . 6.000 5.223 5.077 5.338 . 0 0 "[ . 1 . 2]" 1
1110 2 75 MET H 2 78 VAL H 1.800 . 6.000 5.223 5.077 5.341 . 0 0 "[ . 1 . 2]" 1
1111 1 75 MET HA 1 78 VAL H 1.800 . 3.500 3.282 2.999 3.464 . 0 0 "[ . 1 . 2]" 1
1112 2 75 MET HA 2 78 VAL H 1.800 . 3.500 3.282 2.997 3.463 . 0 0 "[ . 1 . 2]" 1
1113 1 76 ALA HA 1 78 VAL H 1.800 . 6.000 4.691 4.458 4.838 . 0 0 "[ . 1 . 2]" 1
1114 2 76 ALA HA 2 78 VAL H 1.800 . 6.000 4.690 4.461 4.837 . 0 0 "[ . 1 . 2]" 1
1115 1 76 ALA H 1 78 VAL H 1.800 . 6.000 4.676 4.184 4.903 . 0 0 "[ . 1 . 2]" 1
1116 2 76 ALA H 2 78 VAL H 1.800 . 6.000 4.675 4.182 4.904 . 0 0 "[ . 1 . 2]" 1
1117 1 77 PHE HA 1 78 VAL MG1 1.800 . 6.000 6.100 6.083 6.117 0.117 12 0 "[ . 1 . 2]" 1
1118 2 77 PHE HA 2 78 VAL MG1 1.800 . 6.000 6.098 6.079 6.117 0.117 12 0 "[ . 1 . 2]" 1
1119 1 77 PHE HA 1 78 VAL MG2 1.800 . 6.000 5.051 4.841 5.202 . 0 0 "[ . 1 . 2]" 1
1120 2 77 PHE HA 2 78 VAL MG2 1.800 . 6.000 5.056 4.841 5.192 . 0 0 "[ . 1 . 2]" 1
1121 1 77 PHE H 1 79 SER H 1.800 . 6.000 3.747 3.629 3.955 . 0 0 "[ . 1 . 2]" 1
1122 2 77 PHE H 2 79 SER H 1.800 . 6.000 3.746 3.628 3.951 . 0 0 "[ . 1 . 2]" 1
1123 1 76 ALA H 1 79 SER H 1.800 . 6.000 4.900 4.803 4.980 . 0 0 "[ . 1 . 2]" 1
1124 2 76 ALA H 2 79 SER H 1.800 . 6.000 4.898 4.798 4.979 . 0 0 "[ . 1 . 2]" 1
1125 1 77 PHE HA 1 79 SER H 1.800 . 5.000 4.097 3.916 4.305 . 0 0 "[ . 1 . 2]" 1
1126 2 77 PHE HA 2 79 SER H 1.800 . 5.000 4.094 3.914 4.306 . 0 0 "[ . 1 . 2]" 1
1127 1 76 ALA HA 1 79 SER H 1.800 . 6.000 3.378 3.159 3.494 . 0 0 "[ . 1 . 2]" 1
1128 2 76 ALA HA 2 79 SER H 1.800 . 6.000 3.377 3.145 3.493 . 0 0 "[ . 1 . 2]" 1
1129 1 76 ALA HA 1 80 MET H 1.800 . 4.200 4.337 4.271 4.419 0.219 16 0 "[ . 1 . 2]" 1
1130 2 76 ALA HA 2 80 MET H 1.800 . 4.200 4.337 4.271 4.425 0.225 16 0 "[ . 1 . 2]" 1
1131 1 77 PHE HA 1 80 MET H 1.800 . 4.200 3.173 3.003 3.422 . 0 0 "[ . 1 . 2]" 1
1132 2 77 PHE HA 2 80 MET H 1.800 . 4.200 3.173 3.000 3.416 . 0 0 "[ . 1 . 2]" 1
1133 1 77 PHE HA 1 80 MET QB 1.800 . 4.200 2.687 2.362 3.172 . 0 0 "[ . 1 . 2]" 1
1134 2 77 PHE HA 2 80 MET QB 1.800 . 4.200 2.690 2.359 3.166 . 0 0 "[ . 1 . 2]" 1
1135 1 77 PHE HA 1 80 MET ME 1.800 . 5.000 4.548 3.719 5.115 0.115 7 0 "[ . 1 . 2]" 1
1136 2 77 PHE HA 2 80 MET ME 1.800 . 5.000 4.545 3.634 5.114 0.114 7 0 "[ . 1 . 2]" 1
1137 1 77 PHE QD 1 80 MET ME 1.800 . 5.000 3.925 2.850 4.572 . 0 0 "[ . 1 . 2]" 1
1138 2 77 PHE QD 2 80 MET ME 1.800 . 5.000 3.920 2.864 4.574 . 0 0 "[ . 1 . 2]" 1
1139 1 77 PHE QE 1 80 MET ME 1.800 . 5.000 4.352 3.410 5.018 0.018 9 0 "[ . 1 . 2]" 1
1140 2 77 PHE QE 2 80 MET ME 1.800 . 5.000 4.351 3.409 5.016 0.016 13 0 "[ . 1 . 2]" 1
1141 1 77 PHE QD 1 80 MET QB 1.800 . 5.000 3.058 2.546 4.355 . 0 0 "[ . 1 . 2]" 1
1142 2 77 PHE QD 2 80 MET QB 1.800 . 5.000 3.058 2.558 4.357 . 0 0 "[ . 1 . 2]" 1
1143 1 78 VAL HA 1 80 MET H 1.800 . 5.000 4.097 3.918 4.220 . 0 0 "[ . 1 . 2]" 1
1144 2 78 VAL HA 2 80 MET H 1.800 . 5.000 4.096 3.916 4.222 . 0 0 "[ . 1 . 2]" 1
1145 1 79 SER HA 1 81 VAL H 1.800 . 5.000 4.124 3.845 4.381 . 0 0 "[ . 1 . 2]" 1
1146 2 79 SER HA 2 81 VAL H 1.800 . 5.000 4.125 3.838 4.383 . 0 0 "[ . 1 . 2]" 1
1147 1 78 VAL HA 1 81 VAL H 1.800 . 4.200 3.226 3.021 3.524 . 0 0 "[ . 1 . 2]" 1
1148 2 78 VAL HA 2 81 VAL H 1.800 . 4.200 3.225 3.018 3.519 . 0 0 "[ . 1 . 2]" 1
1149 1 77 PHE HA 1 81 VAL H 1.800 . 5.000 4.472 4.230 4.722 . 0 0 "[ . 1 . 2]" 1
1150 2 77 PHE HA 2 81 VAL H 1.800 . 5.000 4.471 4.228 4.722 . 0 0 "[ . 1 . 2]" 1
1151 1 77 PHE QD 1 81 VAL MG1 1.800 . 6.000 4.186 3.106 5.673 . 0 0 "[ . 1 . 2]" 1
1152 2 77 PHE QD 2 81 VAL MG1 1.800 . 6.000 4.186 3.085 5.674 . 0 0 "[ . 1 . 2]" 1
1153 1 77 PHE QD 1 81 VAL MG2 1.800 . 5.000 4.059 2.915 5.034 0.034 20 0 "[ . 1 . 2]" 1
1154 2 77 PHE QD 2 81 VAL MG2 1.800 . 5.000 4.058 2.870 5.029 0.029 20 0 "[ . 1 . 2]" 1
1155 1 77 PHE QE 1 81 VAL MG1 1.800 . 6.000 3.444 2.357 4.931 . 0 0 "[ . 1 . 2]" 1
1156 2 77 PHE QE 2 81 VAL MG1 1.800 . 6.000 3.444 2.356 4.919 . 0 0 "[ . 1 . 2]" 1
1157 1 78 VAL HA 1 82 THR H 1.800 . 5.000 3.780 3.553 3.978 . 0 0 "[ . 1 . 2]" 1
1158 2 78 VAL HA 2 82 THR H 1.800 . 5.000 3.779 3.559 3.976 . 0 0 "[ . 1 . 2]" 1
1159 1 78 VAL MG1 1 82 THR HB 1.800 . 6.000 3.772 2.828 4.329 . 0 0 "[ . 1 . 2]" 1
1160 2 78 VAL MG1 2 82 THR HB 1.800 . 6.000 3.766 2.839 4.328 . 0 0 "[ . 1 . 2]" 1
1161 1 78 VAL H 1 82 THR H 1.800 . 6.000 5.761 5.654 5.894 . 0 0 "[ . 1 . 2]" 1
1162 2 78 VAL H 2 82 THR H 1.800 . 6.000 5.762 5.655 5.894 . 0 0 "[ . 1 . 2]" 1
1163 1 79 SER HA 1 82 THR H 1.800 . 4.200 3.194 2.856 3.453 . 0 0 "[ . 1 . 2]" 1
1164 2 79 SER HA 2 82 THR H 1.800 . 4.200 3.194 2.846 3.450 . 0 0 "[ . 1 . 2]" 1
1165 1 79 SER H 1 82 THR H 1.800 . 4.200 4.347 4.250 4.443 0.243 20 0 "[ . 1 . 2]" 1
1166 2 79 SER H 2 82 THR H 1.800 . 4.200 4.348 4.246 4.444 0.244 20 0 "[ . 1 . 2]" 1
1167 1 79 SER HA 1 82 THR HB 1.800 . 5.000 2.301 2.185 2.411 . 0 0 "[ . 1 . 2]" 1
1168 2 79 SER HA 2 82 THR HB 1.800 . 5.000 2.302 2.182 2.417 . 0 0 "[ . 1 . 2]" 1
1169 1 80 MET H 1 82 THR H 1.800 . 5.000 3.720 3.645 3.830 . 0 0 "[ . 1 . 2]" 1
1170 2 80 MET H 2 82 THR H 1.800 . 5.000 3.720 3.649 3.828 . 0 0 "[ . 1 . 2]" 1
1171 1 80 MET HA 1 82 THR H 1.800 . 4.200 4.343 4.310 4.390 0.190 7 0 "[ . 1 . 2]" 1
1172 2 80 MET HA 2 82 THR H 1.800 . 4.200 4.343 4.308 4.384 0.184 11 0 "[ . 1 . 2]" 1
1173 1 79 SER HA 1 83 THR H 1.800 . 4.200 3.580 3.442 3.763 . 0 0 "[ . 1 . 2]" 1
1174 2 79 SER HA 2 83 THR H 1.800 . 4.200 3.582 3.442 3.757 . 0 0 "[ . 1 . 2]" 1
1175 1 80 MET HA 1 83 THR H 1.800 . 3.500 3.372 3.211 3.462 . 0 0 "[ . 1 . 2]" 1
1176 2 80 MET HA 2 83 THR H 1.800 . 3.500 3.373 3.210 3.464 . 0 0 "[ . 1 . 2]" 1
1177 1 80 MET HA 1 83 THR HB 1.800 . 4.200 4.189 4.065 4.264 0.064 18 0 "[ . 1 . 2]" 1
1178 2 80 MET HA 2 83 THR HB 1.800 . 4.200 4.190 4.066 4.266 0.066 18 0 "[ . 1 . 2]" 1
1179 1 80 MET H 1 83 THR H 1.800 . 4.200 4.354 4.307 4.397 0.197 12 0 "[ . 1 . 2]" 1
1180 2 80 MET H 2 83 THR H 1.800 . 4.200 4.355 4.306 4.397 0.197 12 0 "[ . 1 . 2]" 1
1181 1 81 VAL HA 1 83 THR H 1.800 . 4.200 4.260 4.156 4.321 0.121 6 0 "[ . 1 . 2]" 1
1182 2 81 VAL HA 2 83 THR H 1.800 . 4.200 4.260 4.164 4.317 0.117 6 0 "[ . 1 . 2]" 1
1183 1 81 VAL H 1 83 THR H 1.800 . 3.500 3.655 3.598 3.712 0.212 3 0 "[ . 1 . 2]" 1
1184 2 81 VAL H 2 83 THR H 1.800 . 3.500 3.655 3.598 3.703 0.203 3 0 "[ . 1 . 2]" 1
1185 1 82 THR H 1 84 ALA H 1.800 . 5.000 4.191 4.080 4.323 . 0 0 "[ . 1 . 2]" 1
1186 2 82 THR H 2 84 ALA H 1.800 . 5.000 4.192 4.092 4.326 . 0 0 "[ . 1 . 2]" 1
1187 1 81 VAL H 1 84 ALA H 1.800 . 6.000 4.716 4.652 4.817 . 0 0 "[ . 1 . 2]" 1
1188 2 81 VAL H 2 84 ALA H 1.800 . 6.000 4.718 4.654 4.819 . 0 0 "[ . 1 . 2]" 1
1189 1 82 THR HA 1 84 ALA H 1.800 . 6.000 4.425 4.270 4.545 . 0 0 "[ . 1 . 2]" 1
1190 2 82 THR HA 2 84 ALA H 1.800 . 6.000 4.427 4.289 4.542 . 0 0 "[ . 1 . 2]" 1
1191 1 81 VAL HA 1 84 ALA H 1.800 . 4.200 3.385 3.214 3.571 . 0 0 "[ . 1 . 2]" 1
1192 2 81 VAL HA 2 84 ALA H 1.800 . 4.200 3.386 3.218 3.574 . 0 0 "[ . 1 . 2]" 1
1193 1 81 VAL MG1 1 84 ALA MB 1.800 . 6.000 4.225 3.425 4.761 . 0 0 "[ . 1 . 2]" 1
1194 2 81 VAL MG1 2 84 ALA MB 1.800 . 6.000 4.228 3.412 4.757 . 0 0 "[ . 1 . 2]" 1
1195 1 81 VAL MG2 1 84 ALA MB 1.800 . 5.000 4.550 4.214 4.751 . 0 0 "[ . 1 . 2]" 1
1196 2 81 VAL MG2 2 84 ALA MB 1.800 . 5.000 4.544 4.211 4.765 . 0 0 "[ . 1 . 2]" 1
1197 1 81 VAL HA 1 84 ALA MB 1.800 . 4.200 2.970 2.712 3.199 . 0 0 "[ . 1 . 2]" 1
1198 2 81 VAL HA 2 84 ALA MB 1.800 . 4.200 2.965 2.799 3.189 . 0 0 "[ . 1 . 2]" 1
1199 1 81 VAL H 1 85 CYS H 1.800 . 6.000 6.127 6.043 6.206 0.206 8 0 "[ . 1 . 2]" 1
1200 2 81 VAL H 2 85 CYS H 1.800 . 6.000 6.128 6.039 6.202 0.202 8 0 "[ . 1 . 2]" 1
1201 1 81 VAL HA 1 85 CYS H 1.800 . 6.000 4.411 4.181 4.694 . 0 0 "[ . 1 . 2]" 1
1202 2 81 VAL HA 2 85 CYS H 1.800 . 6.000 4.412 4.181 4.694 . 0 0 "[ . 1 . 2]" 1
1203 1 82 THR H 1 85 CYS H 1.800 . 5.000 4.919 4.820 5.042 0.042 18 0 "[ . 1 . 2]" 1
1204 2 82 THR H 2 85 CYS H 1.800 . 5.000 4.920 4.817 5.042 0.042 18 0 "[ . 1 . 2]" 1
1205 1 82 THR HA 1 85 CYS H 1.800 . 4.200 3.486 3.307 3.836 . 0 0 "[ . 1 . 2]" 1
1206 2 82 THR HA 2 85 CYS H 1.800 . 4.200 3.487 3.313 3.836 . 0 0 "[ . 1 . 2]" 1
1207 1 82 THR MG 1 85 CYS QB 1.800 . 5.000 3.548 3.122 4.861 . 0 0 "[ . 1 . 2]" 1
1208 2 82 THR MG 2 85 CYS QB 1.800 . 5.000 3.552 3.170 4.853 . 0 0 "[ . 1 . 2]" 1
1209 1 82 THR HA 1 85 CYS QB 1.800 . 6.000 2.929 2.487 3.987 . 0 0 "[ . 1 . 2]" 1
1210 2 82 THR HA 2 85 CYS QB 1.800 . 6.000 2.930 2.479 3.986 . 0 0 "[ . 1 . 2]" 1
1211 1 83 THR HA 1 85 CYS H 1.800 . 5.000 4.291 3.864 4.615 . 0 0 "[ . 1 . 2]" 1
1212 2 83 THR HA 2 85 CYS H 1.800 . 5.000 4.290 3.866 4.618 . 0 0 "[ . 1 . 2]" 1
1213 1 84 ALA H 1 86 HIS H 1.800 . 6.000 3.861 3.702 4.219 . 0 0 "[ . 1 . 2]" 1
1214 2 84 ALA H 2 86 HIS H 1.800 . 6.000 3.860 3.699 4.220 . 0 0 "[ . 1 . 2]" 1
1215 1 84 ALA HA 1 86 HIS H 1.800 . 5.000 3.812 3.512 4.507 . 0 0 "[ . 1 . 2]" 1
1216 2 84 ALA HA 2 86 HIS H 1.800 . 5.000 3.810 3.512 4.503 . 0 0 "[ . 1 . 2]" 1
1217 1 83 THR HA 1 86 HIS H 1.800 . 4.200 3.255 3.014 3.536 . 0 0 "[ . 1 . 2]" 1
1218 2 83 THR HA 2 86 HIS H 1.800 . 4.200 3.253 3.010 3.538 . 0 0 "[ . 1 . 2]" 1
1219 1 82 THR HA 1 86 HIS H 1.800 . 5.000 4.677 4.147 5.034 0.034 8 0 "[ . 1 . 2]" 1
1220 2 82 THR HA 2 86 HIS H 1.800 . 5.000 4.679 4.153 5.035 0.035 8 0 "[ . 1 . 2]" 1
1221 1 85 CYS H 1 87 GLU H 1.800 . 6.000 4.115 3.742 4.302 . 0 0 "[ . 1 . 2]" 1
1222 2 85 CYS H 2 87 GLU H 1.800 . 6.000 4.116 3.740 4.301 . 0 0 "[ . 1 . 2]" 1
1223 1 84 ALA H 1 87 GLU H 1.800 . 6.000 4.533 4.310 4.832 . 0 0 "[ . 1 . 2]" 1
1224 2 84 ALA H 2 87 GLU H 1.800 . 6.000 4.533 4.315 4.834 . 0 0 "[ . 1 . 2]" 1
1225 1 83 THR H 1 87 GLU H 1.800 . 6.000 5.935 5.764 6.122 0.122 9 0 "[ . 1 . 2]" 1
1226 2 83 THR H 2 87 GLU H 1.800 . 6.000 5.935 5.756 6.121 0.121 9 0 "[ . 1 . 2]" 1
1227 1 85 CYS HA 1 87 GLU H 1.800 . 6.000 4.572 4.153 4.908 . 0 0 "[ . 1 . 2]" 1
1228 2 85 CYS HA 2 87 GLU H 1.800 . 6.000 4.571 4.160 4.909 . 0 0 "[ . 1 . 2]" 1
1229 1 84 ALA HA 1 87 GLU H 1.800 . 6.000 3.155 2.899 3.575 . 0 0 "[ . 1 . 2]" 1
1230 2 84 ALA HA 2 87 GLU H 1.800 . 6.000 3.155 2.903 3.575 . 0 0 "[ . 1 . 2]" 1
1231 1 83 THR MG 1 87 GLU QB 1.800 . 6.000 5.015 4.586 5.889 . 0 0 "[ . 1 . 2]" 1
1232 2 83 THR MG 2 87 GLU QB 1.800 . 6.000 5.016 4.581 5.885 . 0 0 "[ . 1 . 2]" 1
1233 1 84 ALA MB 1 87 GLU QB 1.800 . 6.000 4.169 3.454 5.450 . 0 0 "[ . 1 . 2]" 1
1234 2 84 ALA MB 2 87 GLU QB 1.800 . 6.000 4.166 3.424 5.448 . 0 0 "[ . 1 . 2]" 1
1235 1 84 ALA H 1 88 PHE H 1.800 . 6.000 5.771 5.380 6.033 0.033 4 0 "[ . 1 . 2]" 1
1236 2 84 ALA H 2 88 PHE H 1.800 . 6.000 5.770 5.381 6.034 0.034 4 0 "[ . 1 . 2]" 1
1237 1 86 HIS HA 1 88 PHE H 1.800 . 6.000 4.574 4.156 4.857 . 0 0 "[ . 1 . 2]" 1
1238 2 86 HIS HA 2 88 PHE H 1.800 . 6.000 4.574 4.179 4.844 . 0 0 "[ . 1 . 2]" 1
1239 1 84 ALA HA 1 88 PHE H 1.800 . 6.000 3.513 3.004 4.084 . 0 0 "[ . 1 . 2]" 1
1240 2 84 ALA HA 2 88 PHE H 1.800 . 6.000 3.512 3.003 4.081 . 0 0 "[ . 1 . 2]" 1
1241 1 87 GLU HA 1 89 PHE H 1.800 . 6.000 4.531 4.113 4.861 . 0 0 "[ . 1 . 2]" 1
1242 2 87 GLU HA 2 89 PHE H 1.800 . 6.000 4.531 4.111 4.869 . 0 0 "[ . 1 . 2]" 1
1243 1 86 HIS HA 1 89 PHE H 1.800 . 4.200 3.758 3.428 4.085 . 0 0 "[ . 1 . 2]" 1
1244 2 86 HIS HA 2 89 PHE H 1.800 . 4.200 3.760 3.429 4.084 . 0 0 "[ . 1 . 2]" 1
1245 1 85 CYS HA 1 89 PHE H 1.800 . 4.200 4.198 4.050 4.300 0.100 17 0 "[ . 1 . 2]" 1
1246 2 85 CYS HA 2 89 PHE H 1.800 . 4.200 4.195 4.053 4.297 0.097 17 0 "[ . 1 . 2]" 1
1247 1 89 PHE HA 1 91 HIS H 1.800 . 6.000 4.104 3.521 6.174 0.174 12 0 "[ . 1 . 2]" 1
1248 2 89 PHE HA 2 91 HIS H 1.800 . 6.000 4.105 3.522 6.177 0.177 12 0 "[ . 1 . 2]" 1
1249 1 88 PHE HA 1 91 HIS H 1.800 . 6.000 3.975 2.961 6.001 0.001 19 0 "[ . 1 . 2]" 1
1250 2 88 PHE HA 2 91 HIS H 1.800 . 6.000 3.973 2.955 5.975 . 0 0 "[ . 1 . 2]" 1
1251 1 87 GLU HA 1 91 HIS H 1.800 . 5.000 4.662 4.018 5.060 0.060 19 0 "[ . 1 . 2]" 1
1252 2 87 GLU HA 2 91 HIS H 1.800 . 5.000 4.658 4.016 5.058 0.058 19 0 "[ . 1 . 2]" 1
1253 1 90 GLU HA 1 92 GLU H 1.800 . 5.000 5.042 4.972 5.117 0.117 19 0 "[ . 1 . 2]" 1
1254 2 90 GLU HA 2 92 GLU H 1.800 . 5.000 5.042 4.968 5.118 0.118 19 0 "[ . 1 . 2]" 1
1255 1 20 GLY QA 1 25 LYS HA 1.800 . 6.000 2.914 2.252 3.548 . 0 0 "[ . 1 . 2]" 1
1256 2 20 GLY QA 2 25 LYS HA 1.800 . 6.000 2.912 2.251 3.546 . 0 0 "[ . 1 . 2]" 1
1257 1 20 GLY QA 1 25 LYS QB 1.800 . 6.000 4.219 2.174 5.064 . 0 0 "[ . 1 . 2]" 1
1258 2 20 GLY QA 2 25 LYS QB 1.800 . 6.000 4.218 2.175 5.062 . 0 0 "[ . 1 . 2]" 1
1259 1 20 GLY QA 1 25 LYS QG 1.800 . 6.000 4.021 2.444 4.944 . 0 0 "[ . 1 . 2]" 1
1260 2 20 GLY QA 2 25 LYS QG 1.800 . 6.000 4.019 2.461 4.949 . 0 0 "[ . 1 . 2]" 1
1261 1 20 GLY QA 1 25 LYS QD 1.800 . 6.000 3.313 2.142 4.875 . 0 0 "[ . 1 . 2]" 1
1262 2 20 GLY QA 2 25 LYS QD 1.800 . 6.000 3.311 2.141 4.873 . 0 0 "[ . 1 . 2]" 1
1263 1 20 GLY QA 1 25 LYS QE 1.800 . 6.000 4.193 2.812 5.561 . 0 0 "[ . 1 . 2]" 1
1264 2 20 GLY QA 2 25 LYS QE 1.800 . 6.000 4.200 2.828 5.562 . 0 0 "[ . 1 . 2]" 1
1265 1 16 HIS HD2 1 25 LYS QD 1.800 . 6.000 4.103 3.412 4.312 . 0 0 "[ . 1 . 2]" 1
1266 2 16 HIS HD2 2 25 LYS QD 1.800 . 6.000 4.099 3.414 4.316 . 0 0 "[ . 1 . 2]" 1
1267 1 16 HIS HD2 1 26 HIS HA 1.800 . 4.200 3.843 3.329 4.253 0.053 16 0 "[ . 1 . 2]" 1
1268 2 16 HIS HD2 2 26 HIS HA 1.800 . 4.200 3.843 3.329 4.248 0.048 16 0 "[ . 1 . 2]" 1
1269 1 19 SER HA 1 27 LYS QB 1.800 . 5.000 4.897 4.716 5.078 0.078 15 0 "[ . 1 . 2]" 1
1270 2 19 SER HA 2 27 LYS QB 1.800 . 5.000 4.898 4.716 5.077 0.077 15 0 "[ . 1 . 2]" 1
1271 1 18 TYR QB 1 28 LEU QD 1.800 . 6.000 3.017 2.402 3.942 . 0 0 "[ . 1 . 2]" 1
1272 2 18 TYR QB 2 28 LEU QD 1.800 . 6.000 3.018 2.404 3.942 . 0 0 "[ . 1 . 2]" 1
1273 1 19 SER HA 1 28 LEU HA 1.800 . 5.000 2.786 2.336 3.223 . 0 0 "[ . 1 . 2]" 1
1274 2 19 SER HA 2 28 LEU HA 1.800 . 5.000 2.785 2.337 3.203 . 0 0 "[ . 1 . 2]" 1
1275 1 19 SER HA 1 28 LEU MD2 1.800 . 5.000 4.432 2.312 5.103 0.103 18 0 "[ . 1 . 2]" 1
1276 2 19 SER HA 2 28 LEU MD2 1.800 . 5.000 4.432 2.329 5.101 0.101 18 0 "[ . 1 . 2]" 1
1277 1 19 SER HA 1 28 LEU HG 1.800 . 5.000 3.995 2.983 5.133 0.133 15 0 "[ . 1 . 2]" 1
1278 2 19 SER HA 2 28 LEU HG 1.800 . 5.000 3.997 2.983 5.136 0.136 15 0 "[ . 1 . 2]" 1
1279 1 19 SER QB 1 28 LEU MD2 1.800 . 6.000 4.662 2.532 5.983 . 0 0 "[ . 1 . 2]" 1
1280 2 19 SER QB 2 28 LEU MD2 1.800 . 6.000 4.660 2.529 5.980 . 0 0 "[ . 1 . 2]" 1
1281 1 19 SER QB 1 28 LEU HG 1.800 . 6.000 4.582 3.330 5.622 . 0 0 "[ . 1 . 2]" 1
1282 2 19 SER QB 2 28 LEU HG 1.800 . 6.000 4.582 3.335 5.632 . 0 0 "[ . 1 . 2]" 1
1283 1 22 GLU QG 1 29 LYS QE 1.800 . 5.000 3.098 1.903 4.545 . 0 0 "[ . 1 . 2]" 1
1284 2 22 GLU QG 2 29 LYS QE 1.800 . 5.000 3.096 1.905 4.543 . 0 0 "[ . 1 . 2]" 1
1285 1 22 GLU QB 1 29 LYS QD 1.800 . 5.000 3.792 2.180 5.135 0.135 9 0 "[ . 1 . 2]" 1
1286 2 22 GLU QB 2 29 LYS QD 1.800 . 5.000 3.796 2.175 5.133 0.133 9 0 "[ . 1 . 2]" 1
1287 1 22 GLU QG 1 29 LYS QD 1.800 . 4.200 2.850 1.900 3.959 . 0 0 "[ . 1 . 2]" 1
1288 2 22 GLU QG 2 29 LYS QD 1.800 . 4.200 2.845 1.899 3.959 . 0 0 "[ . 1 . 2]" 1
1289 1 22 GLU QB 1 29 LYS QG 1.800 . 6.000 4.623 2.501 5.671 . 0 0 "[ . 1 . 2]" 1
1290 2 22 GLU QB 2 29 LYS QG 1.800 . 6.000 4.627 2.495 5.688 . 0 0 "[ . 1 . 2]" 1
1291 1 22 GLU H 1 29 LYS QD 1.800 . 5.000 4.703 3.396 5.049 0.049 17 0 "[ . 1 . 2]" 1
1292 2 22 GLU H 2 29 LYS QD 1.800 . 5.000 4.705 3.397 5.039 0.039 17 0 "[ . 1 . 2]" 1
1293 1 22 GLU H 1 29 LYS QG 1.800 . 5.000 4.731 3.128 5.065 0.065 9 0 "[ . 1 . 2]" 1
1294 2 22 GLU H 2 29 LYS QG 1.800 . 5.000 4.735 3.129 5.067 0.067 9 0 "[ . 1 . 2]" 1
1295 1 22 GLU H 1 29 LYS QE 1.800 . 5.000 4.819 3.427 5.194 0.194 15 0 "[ . 1 . 2]" 1
1296 2 22 GLU H 2 29 LYS QE 1.800 . 5.000 4.822 3.426 5.194 0.194 15 0 "[ . 1 . 2]" 1
1297 1 22 GLU QG 1 29 LYS H 1.800 . 5.000 4.730 4.144 5.249 0.249 15 0 "[ . 1 . 2]" 1
1298 2 22 GLU QG 2 29 LYS H 1.800 . 5.000 4.729 4.141 5.252 0.252 15 0 "[ . 1 . 2]" 1
1299 1 21 ARG QG 1 31 SER QB 1.800 . 5.000 4.999 4.817 5.092 0.092 3 0 "[ . 1 . 2]" 1
1300 2 21 ARG QG 2 31 SER QB 1.800 . 5.000 4.991 4.826 5.091 0.091 2 0 "[ . 1 . 2]" 1
1301 1 21 ARG QD 1 31 SER QB 1.800 . 3.500 3.505 3.249 3.569 0.069 13 0 "[ . 1 . 2]" 1
1302 2 21 ARG QD 2 31 SER QB 1.800 . 3.500 3.503 3.257 3.573 0.073 13 0 "[ . 1 . 2]" 1
1303 1 18 TYR QE 1 32 GLU QG 1.800 . 5.000 4.764 4.155 5.027 0.027 8 0 "[ . 1 . 2]" 1
1304 2 18 TYR QE 2 32 GLU QG 1.800 . 5.000 4.761 4.148 5.029 0.029 8 0 "[ . 1 . 2]" 1
1305 1 18 TYR QE 1 35 GLU HA 1.800 . 5.000 4.729 4.357 4.984 . 0 0 "[ . 1 . 2]" 1
1306 2 18 TYR QE 2 35 GLU HA 1.800 . 5.000 4.728 4.352 4.986 . 0 0 "[ . 1 . 2]" 1
1307 1 18 TYR QD 1 35 GLU QB 1.800 . 5.000 3.600 3.347 3.729 . 0 0 "[ . 1 . 2]" 1
1308 2 18 TYR QD 2 35 GLU QB 1.800 . 5.000 3.599 3.345 3.732 . 0 0 "[ . 1 . 2]" 1
1309 1 18 TYR QE 1 35 GLU QG 1.800 . 4.200 2.800 2.413 4.215 0.015 2 0 "[ . 1 . 2]" 1
1310 2 18 TYR QE 2 35 GLU QG 1.800 . 4.200 2.796 2.401 4.216 0.016 2 0 "[ . 1 . 2]" 1
1311 1 21 ARG QD 1 35 GLU QB 1.800 . 5.000 4.022 3.587 4.380 . 0 0 "[ . 1 . 2]" 1
1312 2 21 ARG QD 2 35 GLU QB 1.800 . 5.000 4.023 3.587 4.384 . 0 0 "[ . 1 . 2]" 1
1313 1 14 VAL QG 1 36 LEU HG 1.800 . 6.000 4.147 3.930 4.497 . 0 0 "[ . 1 . 2]" 1
1314 2 14 VAL QG 2 36 LEU HG 1.800 . 6.000 4.149 3.927 4.495 . 0 0 "[ . 1 . 2]" 1
1315 1 14 VAL QG 1 36 LEU MD2 1.800 . 4.200 2.930 2.595 3.363 . 0 0 "[ . 1 . 2]" 1
1316 2 14 VAL QG 2 36 LEU MD2 1.800 . 4.200 2.940 2.644 3.383 . 0 0 "[ . 1 . 2]" 1
1317 1 14 VAL QG 1 36 LEU MD1 1.800 . 4.200 2.078 1.932 2.458 . 0 0 "[ . 1 . 2]" 1
1318 2 14 VAL QG 2 36 LEU MD1 1.800 . 4.200 2.078 1.933 2.457 . 0 0 "[ . 1 . 2]" 1
1319 1 15 PHE HA 1 36 LEU MD2 1.800 . 5.000 4.840 4.361 5.068 0.068 14 0 "[ . 1 . 2]" 1
1320 2 15 PHE HA 2 36 LEU MD2 1.800 . 5.000 4.842 4.368 5.069 0.069 14 0 "[ . 1 . 2]" 1
1321 1 18 TYR QB 1 36 LEU QD 1.800 . 5.000 2.979 2.647 3.428 . 0 0 "[ . 1 . 2]" 1
1322 2 18 TYR QB 2 36 LEU QD 1.800 . 5.000 2.980 2.646 3.449 . 0 0 "[ . 1 . 2]" 1
1323 1 18 TYR QD 1 36 LEU QD 1.800 . 5.000 2.888 2.714 3.187 . 0 0 "[ . 1 . 2]" 1
1324 2 18 TYR QD 2 36 LEU QD 1.800 . 5.000 2.890 2.714 3.193 . 0 0 "[ . 1 . 2]" 1
1325 1 18 TYR QE 1 36 LEU QD 1.800 . 6.000 2.753 2.677 2.973 . 0 0 "[ . 1 . 2]" 1
1326 2 18 TYR QE 2 36 LEU QD 1.800 . 6.000 2.755 2.676 2.970 . 0 0 "[ . 1 . 2]" 1
1327 1 18 TYR QE 1 36 LEU HA 1.800 . 5.000 2.574 2.329 3.381 . 0 0 "[ . 1 . 2]" 1
1328 2 18 TYR QE 2 36 LEU HA 1.800 . 5.000 2.572 2.328 3.378 . 0 0 "[ . 1 . 2]" 1
1329 1 18 TYR QE 1 39 ASN QB 1.800 . 5.000 3.322 2.894 4.366 . 0 0 "[ . 1 . 2]" 1
1330 2 18 TYR QE 2 39 ASN QB 1.800 . 5.000 3.322 2.892 4.365 . 0 0 "[ . 1 . 2]" 1
1331 1 14 VAL QG 1 40 GLU QB 1.800 . 6.000 3.346 3.079 3.673 . 0 0 "[ . 1 . 2]" 1
1332 2 14 VAL QG 2 40 GLU QB 1.800 . 6.000 3.349 3.077 3.681 . 0 0 "[ . 1 . 2]" 1
1333 1 14 VAL QG 1 40 GLU QG 1.800 . 5.000 2.654 2.091 3.619 . 0 0 "[ . 1 . 2]" 1
1334 2 14 VAL QG 2 40 GLU QG 1.800 . 5.000 2.658 2.085 3.624 . 0 0 "[ . 1 . 2]" 1
1335 1 18 TYR QE 1 40 GLU QG 1.800 . 5.000 3.850 2.973 5.038 0.038 1 0 "[ . 1 . 2]" 1
1336 2 18 TYR QE 2 40 GLU QG 1.800 . 5.000 3.853 2.975 5.033 0.033 1 0 "[ . 1 . 2]" 1
1337 1 14 VAL HB 1 41 LEU MD2 1.800 . 6.000 6.104 6.021 6.206 0.206 5 0 "[ . 1 . 2]" 1
1338 2 14 VAL HB 2 41 LEU MD2 1.800 . 6.000 6.105 6.030 6.205 0.205 5 0 "[ . 1 . 2]" 1
1339 1 14 VAL MG1 1 41 LEU MD2 1.800 . 4.200 4.250 3.963 4.395 0.195 3 0 "[ . 1 . 2]" 1
1340 2 14 VAL MG1 2 41 LEU MD2 1.800 . 4.200 4.249 3.961 4.389 0.189 3 0 "[ . 1 . 2]" 1
1341 1 14 VAL MG2 1 41 LEU MD2 1.800 . 6.000 5.137 4.946 5.305 . 0 0 "[ . 1 . 2]" 1
1342 2 14 VAL MG2 2 41 LEU MD2 1.800 . 6.000 5.139 4.932 5.299 . 0 0 "[ . 1 . 2]" 1
1343 1 36 LEU HG 1 41 LEU MD2 1.800 . 5.000 3.335 2.344 3.972 . 0 0 "[ . 1 . 2]" 1
1344 2 36 LEU HG 2 41 LEU MD2 1.800 . 5.000 3.334 2.347 3.944 . 0 0 "[ . 1 . 2]" 1
1345 1 36 LEU MD1 1 41 LEU MD2 1.800 . 4.200 3.491 2.616 4.027 . 0 0 "[ . 1 . 2]" 1
1346 2 36 LEU MD1 2 41 LEU MD2 1.800 . 4.200 3.491 2.631 4.020 . 0 0 "[ . 1 . 2]" 1
1347 1 36 LEU MD1 1 41 LEU HG 1.800 . 5.000 4.156 3.357 5.107 0.107 18 0 "[ . 1 . 2]" 1
1348 2 36 LEU MD1 2 41 LEU HG 1.800 . 5.000 4.158 3.354 5.114 0.114 18 0 "[ . 1 . 2]" 1
1349 1 36 LEU MD2 1 41 LEU MD2 1.800 . 6.000 3.527 2.871 4.182 . 0 0 "[ . 1 . 2]" 1
1350 2 36 LEU MD2 2 41 LEU MD2 1.800 . 6.000 3.515 2.868 4.112 . 0 0 "[ . 1 . 2]" 1
1351 1 37 ILE MG 1 45 LEU QB 1.800 . 5.000 2.546 2.050 3.344 . 0 0 "[ . 1 . 2]" 1
1352 2 37 ILE MG 2 45 LEU QB 1.800 . 5.000 2.552 2.075 3.350 . 0 0 "[ . 1 . 2]" 1
1353 1 37 ILE HA 1 45 LEU MD1 1.800 . 6.000 5.750 2.912 6.101 0.101 20 0 "[ . 1 . 2]" 1
1354 2 37 ILE HA 2 45 LEU MD1 1.800 . 6.000 5.753 2.913 6.102 0.102 20 0 "[ . 1 . 2]" 1
1355 1 34 LYS HA 1 48 ILE MD 1.800 . 5.000 3.149 2.114 4.374 . 0 0 "[ . 1 . 2]" 1
1356 2 34 LYS HA 2 48 ILE MD 1.800 . 5.000 3.149 2.118 4.370 . 0 0 "[ . 1 . 2]" 1
1357 1 34 LYS HA 1 48 ILE MG 1.800 . 6.000 4.110 3.023 5.102 . 0 0 "[ . 1 . 2]" 1
1358 2 34 LYS HA 2 48 ILE MG 1.800 . 6.000 4.105 3.021 5.101 . 0 0 "[ . 1 . 2]" 1
1359 1 34 LYS HA 1 48 ILE QG 1.800 . 6.000 4.323 2.840 6.044 0.044 20 0 "[ . 1 . 2]" 1
1360 2 34 LYS HA 2 48 ILE QG 1.800 . 6.000 4.323 2.844 6.048 0.048 20 0 "[ . 1 . 2]" 1
1361 1 34 LYS QB 1 48 ILE MD 1.800 . 5.000 3.947 2.262 5.132 0.132 16 0 "[ . 1 . 2]" 1
1362 2 34 LYS QB 2 48 ILE MD 1.800 . 5.000 3.954 2.267 5.130 0.130 16 0 "[ . 1 . 2]" 1
1363 1 34 LYS QD 1 48 ILE MD 1.800 . 6.000 4.697 3.471 6.055 0.055 20 0 "[ . 1 . 2]" 1
1364 2 34 LYS QD 2 48 ILE MD 1.800 . 6.000 4.694 3.442 6.051 0.051 20 0 "[ . 1 . 2]" 1
1365 1 37 ILE MG 1 48 ILE MG 1.800 . 6.000 2.883 2.199 3.828 . 0 0 "[ . 1 . 2]" 1
1366 2 37 ILE MG 2 48 ILE MG 1.800 . 6.000 2.884 2.205 3.829 . 0 0 "[ . 1 . 2]" 1
1367 1 37 ILE HA 1 48 ILE MG 1.800 . 6.000 5.975 5.429 6.242 0.242 16 0 "[ . 1 . 2]" 1
1368 2 37 ILE HA 2 48 ILE MG 1.800 . 6.000 5.972 5.421 6.245 0.245 16 0 "[ . 1 . 2]" 1
1369 1 34 LYS QG 1 50 GLU H 1.800 . 5.000 5.042 4.912 5.149 0.149 6 0 "[ . 1 . 2]" 1
1370 2 34 LYS QG 2 50 GLU H 1.800 . 5.000 5.039 4.903 5.137 0.137 6 0 "[ . 1 . 2]" 1
1371 1 37 ILE MG 1 53 VAL MG2 1.800 . 5.000 4.841 4.485 5.156 0.156 12 0 "[ . 1 . 2]" 1
1372 2 37 ILE MG 2 53 VAL MG2 1.800 . 5.000 4.843 4.494 5.159 0.159 12 0 "[ . 1 . 2]" 1
1373 1 48 ILE MG 1 53 VAL MG2 1.800 . 4.200 2.387 1.910 3.656 . 0 0 "[ . 1 . 2]" 1
1374 2 48 ILE MG 2 53 VAL MG2 1.800 . 4.200 2.389 1.910 3.666 . 0 0 "[ . 1 . 2]" 1
1375 1 48 ILE MD 1 53 VAL MG2 1.800 . 6.000 2.403 2.016 3.509 . 0 0 "[ . 1 . 2]" 1
1376 2 48 ILE MD 2 53 VAL MG2 1.800 . 6.000 2.401 2.001 3.470 . 0 0 "[ . 1 . 2]" 1
1377 1 48 ILE HB 1 53 VAL MG2 1.800 . 6.000 3.549 2.189 5.289 . 0 0 "[ . 1 . 2]" 1
1378 2 48 ILE HB 2 53 VAL MG2 1.800 . 6.000 3.546 2.191 5.292 . 0 0 "[ . 1 . 2]" 1
1379 1 48 ILE MG 1 53 VAL MG1 1.800 . 5.000 3.257 1.975 3.913 . 0 0 "[ . 1 . 2]" 1
1380 2 48 ILE MG 2 53 VAL MG1 1.800 . 5.000 3.259 1.978 3.879 . 0 0 "[ . 1 . 2]" 1
1381 1 48 ILE MD 1 53 VAL MG1 1.800 . 5.000 3.588 2.083 4.762 . 0 0 "[ . 1 . 2]" 1
1382 2 48 ILE MD 2 53 VAL MG1 1.800 . 5.000 3.587 2.080 4.765 . 0 0 "[ . 1 . 2]" 1
1383 1 48 ILE HB 1 53 VAL MG1 1.800 . 6.000 4.544 2.160 6.031 0.031 8 0 "[ . 1 . 2]" 1
1384 2 48 ILE HB 2 53 VAL MG1 1.800 . 6.000 4.544 2.160 6.017 0.017 8 0 "[ . 1 . 2]" 1
1385 1 30 LYS QD 1 54 VAL MG2 1.800 . 4.200 4.047 3.745 4.251 0.051 20 0 "[ . 1 . 2]" 1
1386 2 30 LYS QD 2 54 VAL MG2 1.800 . 4.200 4.049 3.740 4.255 0.055 20 0 "[ . 1 . 2]" 1
1387 1 30 LYS HA 1 54 VAL MG1 1.800 . 5.000 3.653 2.831 4.124 . 0 0 "[ . 1 . 2]" 1
1388 2 30 LYS HA 2 54 VAL MG1 1.800 . 5.000 3.651 2.831 4.127 . 0 0 "[ . 1 . 2]" 1
1389 1 30 LYS HA 1 54 VAL MG2 1.800 . 6.000 3.853 3.520 4.540 . 0 0 "[ . 1 . 2]" 1
1390 2 30 LYS HA 2 54 VAL MG2 1.800 . 6.000 3.858 3.532 4.543 . 0 0 "[ . 1 . 2]" 1
1391 1 30 LYS QB 1 54 VAL MG1 1.800 . 4.200 3.083 2.546 3.888 . 0 0 "[ . 1 . 2]" 1
1392 2 30 LYS QB 2 54 VAL MG1 1.800 . 4.200 3.076 2.542 3.886 . 0 0 "[ . 1 . 2]" 1
1393 1 30 LYS QB 1 54 VAL MG2 1.800 . 5.000 4.222 3.672 5.097 0.097 20 0 "[ . 1 . 2]" 1
1394 2 30 LYS QB 2 54 VAL MG2 1.800 . 5.000 4.225 3.713 5.098 0.098 20 0 "[ . 1 . 2]" 1
1395 1 30 LYS QD 1 54 VAL MG1 1.800 . 4.200 2.210 2.005 2.576 . 0 0 "[ . 1 . 2]" 1
1396 2 30 LYS QD 2 54 VAL MG1 1.800 . 4.200 2.210 2.004 2.578 . 0 0 "[ . 1 . 2]" 1
1397 1 30 LYS QG 1 54 VAL MG1 1.800 . 6.000 2.652 1.966 3.349 . 0 0 "[ . 1 . 2]" 1
1398 2 30 LYS QG 2 54 VAL MG1 1.800 . 6.000 2.659 1.967 3.351 . 0 0 "[ . 1 . 2]" 1
1399 1 30 LYS QG 1 54 VAL MG2 1.800 . 4.200 3.707 3.023 4.242 0.042 18 0 "[ . 1 . 2]" 1
1400 2 30 LYS QG 2 54 VAL MG2 1.800 . 4.200 3.712 3.009 4.233 0.033 18 0 "[ . 1 . 2]" 1
1401 1 33 LEU MD1 1 54 VAL HA 1.800 . 6.000 3.932 3.543 4.854 . 0 0 "[ . 1 . 2]" 1
1402 2 33 LEU MD1 2 54 VAL HA 1.800 . 6.000 3.957 3.557 4.848 . 0 0 "[ . 1 . 2]" 1
1403 1 33 LEU MD1 1 54 VAL MG1 1.800 . 5.000 3.600 2.287 5.057 0.057 4 0 "[ . 1 . 2]" 1
1404 2 33 LEU MD1 2 54 VAL MG1 1.800 . 5.000 3.584 2.292 5.049 0.049 4 0 "[ . 1 . 2]" 1
1405 1 33 LEU MD1 1 54 VAL MG2 1.800 . 5.000 2.368 1.877 3.472 . 0 0 "[ . 1 . 2]" 1
1406 2 33 LEU MD1 2 54 VAL MG2 1.800 . 5.000 2.369 1.877 3.470 . 0 0 "[ . 1 . 2]" 1
1407 1 33 LEU HA 1 54 VAL MG1 1.800 . 6.000 5.943 4.775 6.125 0.125 4 0 "[ . 1 . 2]" 1
1408 2 33 LEU HA 2 54 VAL MG1 1.800 . 6.000 5.940 4.777 6.124 0.124 4 0 "[ . 1 . 2]" 1
1409 1 33 LEU HA 1 54 VAL MG2 1.800 . 6.000 4.275 4.099 4.780 . 0 0 "[ . 1 . 2]" 1
1410 2 33 LEU HA 2 54 VAL MG2 1.800 . 6.000 4.274 4.095 4.777 . 0 0 "[ . 1 . 2]" 1
1411 1 33 LEU HG 1 54 VAL MG1 1.800 . 6.000 5.382 3.880 5.874 . 0 0 "[ . 1 . 2]" 1
1412 2 33 LEU HG 2 54 VAL MG1 1.800 . 6.000 5.381 3.878 5.871 . 0 0 "[ . 1 . 2]" 1
1413 1 33 LEU HG 1 54 VAL MG2 1.800 . 6.000 3.811 2.010 4.998 . 0 0 "[ . 1 . 2]" 1
1414 2 33 LEU HG 2 54 VAL MG2 1.800 . 6.000 3.809 2.010 4.992 . 0 0 "[ . 1 . 2]" 1
1415 1 34 LYS HA 1 54 VAL MG1 1.800 . 5.000 4.592 3.623 4.929 . 0 0 "[ . 1 . 2]" 1
1416 2 34 LYS HA 2 54 VAL MG1 1.800 . 5.000 4.590 3.620 4.926 . 0 0 "[ . 1 . 2]" 1
1417 1 34 LYS HA 1 54 VAL MG2 1.800 . 4.200 2.941 2.171 3.369 . 0 0 "[ . 1 . 2]" 1
1418 2 34 LYS HA 2 54 VAL MG2 1.800 . 4.200 2.936 2.175 3.371 . 0 0 "[ . 1 . 2]" 1
1419 1 34 LYS QB 1 54 VAL MG1 1.800 . 5.000 3.095 2.459 4.041 . 0 0 "[ . 1 . 2]" 1
1420 2 34 LYS QB 2 54 VAL MG1 1.800 . 5.000 3.095 2.464 4.035 . 0 0 "[ . 1 . 2]" 1
1421 1 34 LYS QB 1 54 VAL MG2 1.800 . 5.000 2.687 2.053 3.845 . 0 0 "[ . 1 . 2]" 1
1422 2 34 LYS QB 2 54 VAL MG2 1.800 . 5.000 2.683 2.061 3.845 . 0 0 "[ . 1 . 2]" 1
1423 1 34 LYS QD 1 54 VAL MG1 1.800 . 5.000 4.252 2.536 5.191 0.191 20 0 "[ . 1 . 2]" 1
1424 2 34 LYS QD 2 54 VAL MG1 1.800 . 5.000 4.256 2.537 5.196 0.196 5 0 "[ . 1 . 2]" 1
1425 1 34 LYS QD 1 54 VAL MG2 1.800 . 6.000 4.475 3.751 4.917 . 0 0 "[ . 1 . 2]" 1
1426 2 34 LYS QD 2 54 VAL MG2 1.800 . 6.000 4.473 3.756 4.935 . 0 0 "[ . 1 . 2]" 1
1427 1 37 ILE MG 1 54 VAL MG2 1.800 . 5.000 4.383 3.436 4.622 . 0 0 "[ . 1 . 2]" 1
1428 2 37 ILE MG 2 54 VAL MG2 1.800 . 5.000 4.384 3.435 4.623 . 0 0 "[ . 1 . 2]" 1
1429 1 37 ILE HB 1 54 VAL MG1 1.800 . 6.000 5.687 5.255 6.047 0.047 19 0 "[ . 1 . 2]" 1
1430 2 37 ILE HB 2 54 VAL MG1 1.800 . 6.000 5.688 5.252 6.036 0.036 19 0 "[ . 1 . 2]" 1
1431 1 37 ILE HB 1 54 VAL MG2 1.800 . 6.000 4.138 3.388 4.743 . 0 0 "[ . 1 . 2]" 1
1432 2 37 ILE HB 2 54 VAL MG2 1.800 . 6.000 4.138 3.390 4.752 . 0 0 "[ . 1 . 2]" 1
1433 1 37 ILE MG 1 54 VAL HB 1.800 . 6.000 6.042 5.821 6.141 0.141 16 0 "[ . 1 . 2]" 1
1434 2 37 ILE MG 2 54 VAL HB 1.800 . 6.000 6.043 5.818 6.143 0.143 16 0 "[ . 1 . 2]" 1
1435 1 48 ILE MG 1 54 VAL MG2 1.800 . 5.000 3.604 2.566 4.052 . 0 0 "[ . 1 . 2]" 1
1436 2 48 ILE MG 2 54 VAL MG2 1.800 . 5.000 3.606 2.574 4.059 . 0 0 "[ . 1 . 2]" 1
1437 1 48 ILE MD 1 54 VAL HA 1.800 . 5.000 3.823 3.445 4.280 . 0 0 "[ . 1 . 2]" 1
1438 2 48 ILE MD 2 54 VAL HA 1.800 . 5.000 3.821 3.447 4.276 . 0 0 "[ . 1 . 2]" 1
1439 1 48 ILE MG 1 54 VAL HA 1.800 . 5.000 4.690 4.425 5.027 0.027 12 0 "[ . 1 . 2]" 1
1440 2 48 ILE MG 2 54 VAL HA 1.800 . 5.000 4.691 4.428 5.029 0.029 12 0 "[ . 1 . 2]" 1
1441 1 48 ILE MD 1 54 VAL HB 1.800 . 5.000 3.132 2.069 4.965 . 0 0 "[ . 1 . 2]" 1
1442 2 48 ILE MD 2 54 VAL HB 1.800 . 5.000 3.133 2.072 4.958 . 0 0 "[ . 1 . 2]" 1
1443 1 48 ILE MG 1 54 VAL HB 1.800 . 4.200 3.931 3.251 4.360 0.160 3 0 "[ . 1 . 2]" 1
1444 2 48 ILE MG 2 54 VAL HB 1.800 . 4.200 3.934 3.256 4.368 0.168 6 0 "[ . 1 . 2]" 1
1445 1 30 LYS QD 1 55 ASP HA 1.800 . 4.200 4.051 3.594 4.258 0.058 8 0 "[ . 1 . 2]" 1
1446 2 30 LYS QD 2 55 ASP HA 1.800 . 4.200 4.054 3.592 4.260 0.060 8 0 "[ . 1 . 2]" 1
1447 1 33 LEU HG 1 57 VAL MG1 1.800 . 6.000 4.456 3.197 4.835 . 0 0 "[ . 1 . 2]" 1
1448 2 33 LEU HG 2 57 VAL MG1 1.800 . 6.000 4.455 3.198 4.834 . 0 0 "[ . 1 . 2]" 1
1449 1 33 LEU MD1 1 57 VAL MG1 1.800 . 5.000 2.568 2.271 2.859 . 0 0 "[ . 1 . 2]" 1
1450 2 33 LEU MD1 2 57 VAL MG1 1.800 . 5.000 2.579 2.275 2.858 . 0 0 "[ . 1 . 2]" 1
1451 1 33 LEU HG 1 57 VAL MG2 1.800 . 6.000 5.842 4.828 6.049 0.049 14 0 "[ . 1 . 2]" 1
1452 2 33 LEU HG 2 57 VAL MG2 1.800 . 6.000 5.844 4.851 6.048 0.048 18 0 "[ . 1 . 2]" 1
1453 1 33 LEU MD1 1 57 VAL MG2 1.800 . 6.000 3.944 3.521 4.127 . 0 0 "[ . 1 . 2]" 1
1454 2 33 LEU MD1 2 57 VAL MG2 1.800 . 6.000 3.942 3.558 4.138 . 0 0 "[ . 1 . 2]" 1
1455 1 33 LEU MD1 1 57 VAL HA 1.800 . 6.000 6.041 5.597 6.277 0.277 4 0 "[ . 1 . 2]" 1
1456 2 33 LEU MD1 2 57 VAL HA 1.800 . 6.000 6.043 5.598 6.273 0.273 4 0 "[ . 1 . 2]" 1
1457 1 33 LEU MD1 1 57 VAL HB 1.800 . 6.000 4.999 4.497 5.270 . 0 0 "[ . 1 . 2]" 1
1458 2 33 LEU MD1 2 57 VAL HB 1.800 . 6.000 5.010 4.494 5.274 . 0 0 "[ . 1 . 2]" 1
1459 1 37 ILE MG 1 57 VAL MG1 1.800 . 6.000 5.602 4.881 5.930 . 0 0 "[ . 1 . 2]" 1
1460 2 37 ILE MG 2 57 VAL MG1 1.800 . 6.000 5.602 4.880 5.932 . 0 0 "[ . 1 . 2]" 1
1461 1 37 ILE MG 1 57 VAL MG2 1.800 . 6.000 5.802 5.229 6.066 0.066 13 0 "[ . 1 . 2]" 1
1462 2 37 ILE MG 2 57 VAL MG2 1.800 . 6.000 5.798 5.215 6.067 0.067 13 0 "[ . 1 . 2]" 1
1463 1 48 ILE MG 1 57 VAL HB 1.800 . 6.000 5.741 5.345 6.018 0.018 8 0 "[ . 1 . 2]" 1
1464 2 48 ILE MG 2 57 VAL HB 1.800 . 6.000 5.738 5.342 6.018 0.018 8 0 "[ . 1 . 2]" 1
1465 1 48 ILE MD 1 57 VAL HB 1.800 . 6.000 4.901 3.985 5.637 . 0 0 "[ . 1 . 2]" 1
1466 2 48 ILE MD 2 57 VAL HB 1.800 . 6.000 4.898 3.986 5.639 . 0 0 "[ . 1 . 2]" 1
1467 1 48 ILE MG 1 57 VAL MG2 1.800 . 6.000 5.789 5.369 6.091 0.091 5 0 "[ . 1 . 2]" 1
1468 2 48 ILE MG 2 57 VAL MG2 1.800 . 6.000 5.782 5.357 6.088 0.088 8 0 "[ . 1 . 2]" 1
1469 1 48 ILE MD 1 57 VAL MG2 1.800 . 6.000 4.911 3.910 5.748 . 0 0 "[ . 1 . 2]" 1
1470 2 48 ILE MD 2 57 VAL MG2 1.800 . 6.000 4.905 3.888 5.747 . 0 0 "[ . 1 . 2]" 1
1471 1 48 ILE MG 1 57 VAL MG1 1.800 . 6.000 5.124 4.837 5.470 . 0 0 "[ . 1 . 2]" 1
1472 2 48 ILE MG 2 57 VAL MG1 1.800 . 6.000 5.124 4.832 5.471 . 0 0 "[ . 1 . 2]" 1
1473 1 48 ILE MD 1 57 VAL MG1 1.800 . 6.000 4.209 3.807 4.583 . 0 0 "[ . 1 . 2]" 1
1474 2 48 ILE MD 2 57 VAL MG1 1.800 . 6.000 4.208 3.809 4.583 . 0 0 "[ . 1 . 2]" 1
1475 1 29 LYS H 1 58 MET ME 1.800 . 6.000 5.751 5.571 6.014 0.014 15 0 "[ . 1 . 2]" 1
1476 2 29 LYS H 2 58 MET ME 1.800 . 6.000 5.756 5.574 6.016 0.016 15 0 "[ . 1 . 2]" 1
1477 1 30 LYS HA 1 58 MET ME 1.800 . 4.200 3.139 2.593 3.578 . 0 0 "[ . 1 . 2]" 1
1478 2 30 LYS HA 2 58 MET ME 1.800 . 4.200 3.144 2.590 3.585 . 0 0 "[ . 1 . 2]" 1
1479 1 30 LYS QD 1 58 MET ME 1.800 . 5.000 3.476 3.035 4.211 . 0 0 "[ . 1 . 2]" 1
1480 2 30 LYS QD 2 58 MET ME 1.800 . 5.000 3.474 3.032 4.218 . 0 0 "[ . 1 . 2]" 1
1481 1 30 LYS QD 1 58 MET QG 1.800 . 5.000 4.332 3.462 5.063 0.063 18 0 "[ . 1 . 2]" 1
1482 2 30 LYS QD 2 58 MET QG 1.800 . 5.000 4.333 3.463 5.060 0.060 18 0 "[ . 1 . 2]" 1
1483 1 30 LYS QB 1 58 MET ME 1.800 . 5.000 3.685 2.335 4.297 . 0 0 "[ . 1 . 2]" 1
1484 2 30 LYS QB 2 58 MET ME 1.800 . 5.000 3.685 2.329 4.297 . 0 0 "[ . 1 . 2]" 1
1485 1 30 LYS QG 1 58 MET ME 1.800 . 5.000 2.601 2.068 4.328 . 0 0 "[ . 1 . 2]" 1
1486 2 30 LYS QG 2 58 MET ME 1.800 . 5.000 2.601 2.065 4.326 . 0 0 "[ . 1 . 2]" 1
1487 1 30 LYS QG 1 58 MET QG 1.800 . 5.000 4.081 3.278 5.121 0.121 20 0 "[ . 1 . 2]" 1
1488 2 30 LYS QG 2 58 MET QG 1.800 . 5.000 4.086 3.282 5.114 0.114 20 0 "[ . 1 . 2]" 1
1489 1 33 LEU MD2 1 58 MET ME 1.800 . 6.000 4.266 2.166 5.060 . 0 0 "[ . 1 . 2]" 1
1490 2 33 LEU MD2 2 58 MET ME 1.800 . 6.000 4.268 2.168 5.059 . 0 0 "[ . 1 . 2]" 1
1491 1 33 LEU MD1 1 58 MET ME 1.800 . 4.200 2.795 2.085 4.215 0.015 4 0 "[ . 1 . 2]" 1
1492 2 33 LEU MD1 2 58 MET ME 1.800 . 4.200 2.821 2.090 4.218 0.018 4 0 "[ . 1 . 2]" 1
1493 1 34 LYS QB 1 58 MET ME 1.800 . 6.000 6.063 5.766 6.207 0.207 9 0 "[ . 1 . 2]" 1
1494 2 34 LYS QB 2 58 MET ME 1.800 . 6.000 6.065 5.774 6.204 0.204 9 0 "[ . 1 . 2]" 1
1495 1 58 MET ME 1 66 ASP H 1.800 . 6.000 6.142 6.094 6.214 0.214 12 0 "[ . 1 . 2]" 1
1496 2 58 MET ME 2 66 ASP H 1.800 . 6.000 6.140 6.091 6.222 0.222 12 0 "[ . 1 . 2]" 1
1497 1 58 MET ME 1 67 GLY QA 1.800 . 6.000 3.197 2.897 3.597 . 0 0 "[ . 1 . 2]" 1
1498 2 58 MET ME 2 67 GLY QA 1.800 . 6.000 3.193 2.888 3.601 . 0 0 "[ . 1 . 2]" 1
1499 1 27 LYS QE 1 68 GLU QB 1.800 . 5.000 3.843 2.248 5.037 0.037 15 0 "[ . 1 . 2]" 1
1500 2 27 LYS QE 2 68 GLU QB 1.800 . 5.000 3.843 2.248 5.039 0.039 15 0 "[ . 1 . 2]" 1
1501 1 58 MET ME 1 68 GLU HA 1.800 . 4.200 2.419 2.267 2.618 . 0 0 "[ . 1 . 2]" 1
1502 2 58 MET ME 2 68 GLU HA 1.800 . 4.200 2.422 2.259 2.623 . 0 0 "[ . 1 . 2]" 1
1503 1 58 MET ME 1 68 GLU QB 1.800 . 4.200 4.178 3.980 4.266 0.066 13 0 "[ . 1 . 2]" 1
1504 2 58 MET ME 2 68 GLU QB 1.800 . 4.200 4.182 3.977 4.265 0.065 6 0 "[ . 1 . 2]" 1
1505 1 28 LEU QB 1 69 CYS QB 1.800 . 5.000 2.269 2.130 2.720 . 0 0 "[ . 1 . 2]" 1
1506 2 28 LEU QB 2 69 CYS QB 1.800 . 5.000 2.270 2.132 2.716 . 0 0 "[ . 1 . 2]" 1
1507 1 28 LEU H 1 69 CYS HA 1.800 . 6.000 5.288 5.079 5.501 . 0 0 "[ . 1 . 2]" 1
1508 2 28 LEU H 2 69 CYS HA 1.800 . 6.000 5.288 5.077 5.500 . 0 0 "[ . 1 . 2]" 1
1509 1 28 LEU H 1 69 CYS QB 1.800 . 5.000 4.060 3.537 4.449 . 0 0 "[ . 1 . 2]" 1
1510 2 28 LEU H 2 69 CYS QB 1.800 . 5.000 4.060 3.532 4.449 . 0 0 "[ . 1 . 2]" 1
1511 1 33 LEU MD1 1 69 CYS QB 1.800 . 6.000 3.689 3.014 5.764 . 0 0 "[ . 1 . 2]" 1
1512 2 33 LEU MD1 2 69 CYS QB 1.800 . 6.000 3.668 3.028 5.762 . 0 0 "[ . 1 . 2]" 1
1513 1 58 MET ME 1 69 CYS QB 1.800 . 5.000 3.966 3.351 4.645 . 0 0 "[ . 1 . 2]" 1
1514 2 58 MET ME 2 69 CYS QB 1.800 . 5.000 3.967 3.336 4.643 . 0 0 "[ . 1 . 2]" 1
1515 1 27 LYS QE 1 70 ASP QB 1.800 . 5.000 4.254 2.998 5.060 0.060 11 0 "[ . 1 . 2]" 1
1516 2 27 LYS QE 2 70 ASP QB 1.800 . 5.000 4.254 2.994 5.070 0.070 11 0 "[ . 1 . 2]" 1
1517 1 27 LYS QD 1 70 ASP QB 1.800 . 5.000 4.286 3.167 5.064 0.064 10 0 "[ . 1 . 2]" 1
1518 2 27 LYS QD 2 70 ASP QB 1.800 . 5.000 4.287 3.172 5.065 0.065 10 0 "[ . 1 . 2]" 1
1519 1 15 PHE QD 1 71 PHE HA 1.800 . 5.000 4.253 3.908 4.761 . 0 0 "[ . 1 . 2]" 1
1520 2 15 PHE QD 2 71 PHE HA 1.800 . 5.000 4.255 3.910 4.765 . 0 0 "[ . 1 . 2]" 1
1521 1 61 LEU MD1 2 73 GLU QB 1.800 . 6.000 6.165 6.064 6.229 0.229 5 0 "[ . 1 . 2]" 1
1522 1 73 GLU QB 2 61 LEU MD1 1.800 . 6.000 6.162 6.060 6.224 0.224 5 0 "[ . 1 . 2]" 1
1523 1 61 LEU MD1 2 73 GLU HA 1.800 . 6.000 5.859 5.762 6.029 0.029 15 0 "[ . 1 . 2]" 1
1524 1 73 GLU HA 2 61 LEU MD1 1.800 . 6.000 5.857 5.769 6.026 0.026 15 0 "[ . 1 . 2]" 1
1525 1 62 ASP QB 1 73 GLU QB 1.800 . 6.000 5.833 5.538 6.060 0.060 11 0 "[ . 1 . 2]" 1
1526 2 62 ASP QB 2 73 GLU QB 1.800 . 6.000 5.833 5.536 6.062 0.062 11 0 "[ . 1 . 2]" 1
1527 1 62 ASP QB 1 73 GLU QG 1.800 . 5.000 5.126 5.043 5.211 0.211 8 0 "[ . 1 . 2]" 1
1528 2 62 ASP QB 2 73 GLU QG 1.800 . 5.000 5.123 5.043 5.212 0.212 8 0 "[ . 1 . 2]" 1
1529 1 11 LEU QD 1 74 PHE HZ 1.800 . 6.000 4.710 3.443 5.445 . 0 0 "[ . 1 . 2]" 1
1530 2 11 LEU QD 2 74 PHE HZ 1.800 . 6.000 4.711 3.447 5.449 . 0 0 "[ . 1 . 2]" 1
1531 1 11 LEU QD 1 74 PHE QE 1.800 . 6.000 4.168 3.230 4.989 . 0 0 "[ . 1 . 2]" 1
1532 2 11 LEU QD 2 74 PHE QE 1.800 . 6.000 4.168 3.232 4.986 . 0 0 "[ . 1 . 2]" 1
1533 1 14 VAL MG1 1 74 PHE HZ 1.800 . 5.000 3.481 3.144 3.901 . 0 0 "[ . 1 . 2]" 1
1534 2 14 VAL MG1 2 74 PHE HZ 1.800 . 5.000 3.482 3.124 3.917 . 0 0 "[ . 1 . 2]" 1
1535 1 14 VAL MG1 1 74 PHE QE 1.800 . 6.000 4.124 3.823 4.501 . 0 0 "[ . 1 . 2]" 1
1536 2 14 VAL MG1 2 74 PHE QE 1.800 . 6.000 4.122 3.800 4.457 . 0 0 "[ . 1 . 2]" 1
1537 1 14 VAL MG2 1 74 PHE QE 1.800 . 6.000 5.958 5.675 6.119 0.119 9 0 "[ . 1 . 2]" 1
1538 2 14 VAL MG2 2 74 PHE QE 1.800 . 6.000 5.958 5.659 6.119 0.119 9 0 "[ . 1 . 2]" 1
1539 1 15 PHE QB 1 74 PHE QE 1.800 . 5.000 3.229 2.483 4.161 . 0 0 "[ . 1 . 2]" 1
1540 2 15 PHE QB 2 74 PHE QE 1.800 . 5.000 3.231 2.476 4.161 . 0 0 "[ . 1 . 2]" 1
1541 1 15 PHE HA 1 74 PHE QE 1.800 . 6.000 2.392 2.287 2.853 . 0 0 "[ . 1 . 2]" 1
1542 2 15 PHE HA 2 74 PHE QE 1.800 . 6.000 2.390 2.289 2.852 . 0 0 "[ . 1 . 2]" 1
1543 1 28 LEU HG 1 74 PHE HZ 1.800 . 5.000 5.059 4.289 5.212 0.212 11 0 "[ . 1 . 2]" 1
1544 2 28 LEU HG 2 74 PHE HZ 1.800 . 5.000 5.062 4.304 5.214 0.214 11 0 "[ . 1 . 2]" 1
1545 1 28 LEU HG 1 74 PHE QE 1.800 . 5.000 4.365 3.054 4.744 . 0 0 "[ . 1 . 2]" 1
1546 2 28 LEU HG 2 74 PHE QE 1.800 . 5.000 4.369 3.098 4.743 . 0 0 "[ . 1 . 2]" 1
1547 1 33 LEU MD2 1 74 PHE QE 1.800 . 6.000 4.415 3.238 5.868 . 0 0 "[ . 1 . 2]" 1
1548 2 33 LEU MD2 2 74 PHE QE 1.800 . 6.000 4.421 3.240 5.873 . 0 0 "[ . 1 . 2]" 1
1549 1 33 LEU MD2 1 74 PHE QD 1.800 . 6.000 4.622 3.211 5.147 . 0 0 "[ . 1 . 2]" 1
1550 2 33 LEU MD2 2 74 PHE QD 1.800 . 6.000 4.624 3.212 5.152 . 0 0 "[ . 1 . 2]" 1
1551 1 36 LEU MD2 1 74 PHE HZ 1.800 . 5.000 2.059 2.010 2.156 . 0 0 "[ . 1 . 2]" 1
1552 2 36 LEU MD2 2 74 PHE HZ 1.800 . 5.000 2.059 2.008 2.162 . 0 0 "[ . 1 . 2]" 1
1553 1 36 LEU MD2 1 74 PHE QE 1.800 . 6.000 2.241 2.025 2.560 . 0 0 "[ . 1 . 2]" 1
1554 2 36 LEU MD2 2 74 PHE QE 1.800 . 6.000 2.243 2.026 2.561 . 0 0 "[ . 1 . 2]" 1
1555 1 36 LEU MD1 1 74 PHE HZ 1.800 . 5.000 3.663 3.094 4.021 . 0 0 "[ . 1 . 2]" 1
1556 2 36 LEU MD1 2 74 PHE HZ 1.800 . 5.000 3.657 3.091 4.009 . 0 0 "[ . 1 . 2]" 1
1557 1 36 LEU MD1 1 74 PHE QE 1.800 . 5.000 4.373 3.935 4.722 . 0 0 "[ . 1 . 2]" 1
1558 2 36 LEU MD1 2 74 PHE QE 1.800 . 5.000 4.368 3.920 4.716 . 0 0 "[ . 1 . 2]" 1
1559 1 7 ALA HA 1 75 MET ME 1.800 . 6.000 5.535 5.151 5.769 . 0 0 "[ . 1 . 2]" 1
1560 2 7 ALA HA 2 75 MET ME 1.800 . 6.000 5.538 5.149 5.774 . 0 0 "[ . 1 . 2]" 1
1561 1 11 LEU MD1 1 75 MET ME 1.800 . 6.000 2.819 1.891 3.878 . 0 0 "[ . 1 . 2]" 1
1562 2 11 LEU MD1 2 75 MET ME 1.800 . 6.000 2.818 1.891 3.879 . 0 0 "[ . 1 . 2]" 1
1563 1 11 LEU MD2 1 75 MET ME 1.800 . 4.200 2.528 1.867 3.657 . 0 0 "[ . 1 . 2]" 1
1564 2 11 LEU MD2 2 75 MET ME 1.800 . 4.200 2.526 1.861 3.632 . 0 0 "[ . 1 . 2]" 1
1565 1 61 LEU MD1 1 76 ALA MB 1.800 . 4.200 2.035 1.978 2.170 . 0 0 "[ . 1 . 2]" 1
1566 2 61 LEU MD1 2 76 ALA MB 1.800 . 4.200 2.032 1.977 2.124 . 0 0 "[ . 1 . 2]" 1
1567 1 61 LEU MD2 1 76 ALA MB 1.800 . 6.000 4.074 2.644 4.265 . 0 0 "[ . 1 . 2]" 1
1568 2 61 LEU MD2 2 76 ALA MB 1.800 . 6.000 4.077 2.633 4.283 . 0 0 "[ . 1 . 2]" 1
1569 1 33 LEU MD2 1 77 PHE QD 1.800 . 5.000 3.545 3.065 4.687 . 0 0 "[ . 1 . 2]" 1
1570 2 33 LEU MD2 2 77 PHE QD 1.800 . 5.000 3.544 3.062 4.691 . 0 0 "[ . 1 . 2]" 1
1571 1 33 LEU MD2 1 77 PHE QE 1.800 . 6.000 3.161 2.419 4.853 . 0 0 "[ . 1 . 2]" 1
1572 2 33 LEU MD2 2 77 PHE QE 1.800 . 6.000 3.162 2.410 4.855 . 0 0 "[ . 1 . 2]" 1
1573 1 37 ILE HA 1 77 PHE HZ 1.800 . 5.000 4.934 4.704 5.060 0.060 11 0 "[ . 1 . 2]" 1
1574 2 37 ILE HA 2 77 PHE HZ 1.800 . 5.000 4.935 4.707 5.062 0.062 11 0 "[ . 1 . 2]" 1
1575 1 37 ILE HA 1 77 PHE QE 1.800 . 5.000 4.324 3.957 4.630 . 0 0 "[ . 1 . 2]" 1
1576 2 37 ILE HA 2 77 PHE QE 1.800 . 5.000 4.326 3.958 4.629 . 0 0 "[ . 1 . 2]" 1
1577 1 37 ILE MD 1 77 PHE HZ 1.800 . 6.000 2.506 2.088 3.816 . 0 0 "[ . 1 . 2]" 1
1578 2 37 ILE MD 2 77 PHE HZ 1.800 . 6.000 2.496 2.081 3.815 . 0 0 "[ . 1 . 2]" 1
1579 1 37 ILE MD 1 77 PHE QE 1.800 . 6.000 3.089 2.441 4.356 . 0 0 "[ . 1 . 2]" 1
1580 2 37 ILE MD 2 77 PHE QE 1.800 . 6.000 3.086 2.450 4.355 . 0 0 "[ . 1 . 2]" 1
1581 1 45 LEU MD2 1 77 PHE QD 1.800 . 6.000 4.961 4.297 6.117 0.117 13 0 "[ . 1 . 2]" 1
1582 2 45 LEU MD2 2 77 PHE QD 1.800 . 6.000 4.963 4.290 6.110 0.110 13 0 "[ . 1 . 2]" 1
1583 1 45 LEU MD2 1 77 PHE QE 1.800 . 6.000 3.364 2.463 4.865 . 0 0 "[ . 1 . 2]" 1
1584 2 45 LEU MD2 2 77 PHE QE 1.800 . 6.000 3.368 2.459 4.865 . 0 0 "[ . 1 . 2]" 1
1585 1 45 LEU MD1 1 77 PHE QE 1.800 . 6.000 4.313 3.124 5.516 . 0 0 "[ . 1 . 2]" 1
1586 2 45 LEU MD1 2 77 PHE QE 1.800 . 6.000 4.313 3.135 5.526 . 0 0 "[ . 1 . 2]" 1
1587 1 57 VAL MG1 1 77 PHE QD 1.800 . 5.000 3.973 3.321 4.366 . 0 0 "[ . 1 . 2]" 1
1588 2 57 VAL MG1 2 77 PHE QD 1.800 . 5.000 3.970 3.329 4.369 . 0 0 "[ . 1 . 2]" 1
1589 1 57 VAL MG2 1 77 PHE QD 1.800 . 6.000 2.874 2.522 3.309 . 0 0 "[ . 1 . 2]" 1
1590 2 57 VAL MG2 2 77 PHE QD 1.800 . 6.000 2.874 2.515 3.282 . 0 0 "[ . 1 . 2]" 1
1591 1 57 VAL MG1 1 77 PHE QE 1.800 . 6.000 3.691 2.252 4.175 . 0 0 "[ . 1 . 2]" 1
1592 2 57 VAL MG1 2 77 PHE QE 1.800 . 6.000 3.688 2.256 4.175 . 0 0 "[ . 1 . 2]" 1
1593 1 57 VAL MG2 1 77 PHE QE 1.800 . 6.000 2.305 2.237 2.656 . 0 0 "[ . 1 . 2]" 1
1594 2 57 VAL MG2 2 77 PHE QE 1.800 . 6.000 2.312 2.239 2.658 . 0 0 "[ . 1 . 2]" 1
1595 1 61 LEU MD1 1 77 PHE HA 1.800 . 5.000 2.470 2.286 2.879 . 0 0 "[ . 1 . 2]" 1
1596 2 61 LEU MD1 2 77 PHE HA 1.800 . 5.000 2.472 2.295 2.885 . 0 0 "[ . 1 . 2]" 1
1597 1 61 LEU MD1 1 77 PHE QB 1.800 . 5.000 3.125 2.692 3.759 . 0 0 "[ . 1 . 2]" 1
1598 2 61 LEU MD1 2 77 PHE QB 1.800 . 5.000 3.130 2.693 3.763 . 0 0 "[ . 1 . 2]" 1
1599 1 61 LEU MD2 1 77 PHE QB 1.800 . 6.000 3.732 2.080 4.390 . 0 0 "[ . 1 . 2]" 1
1600 2 61 LEU MD2 2 77 PHE QB 1.800 . 6.000 3.730 2.080 4.390 . 0 0 "[ . 1 . 2]" 1
1601 1 61 LEU MD2 1 77 PHE HA 1.800 . 6.000 3.209 2.257 3.544 . 0 0 "[ . 1 . 2]" 1
1602 2 61 LEU MD2 2 77 PHE HA 1.800 . 6.000 3.214 2.271 3.549 . 0 0 "[ . 1 . 2]" 1
1603 1 61 LEU MD1 1 77 PHE QD 1.800 . 6.000 3.851 3.579 4.286 . 0 0 "[ . 1 . 2]" 1
1604 2 61 LEU MD1 2 77 PHE QD 1.800 . 6.000 3.852 3.583 4.288 . 0 0 "[ . 1 . 2]" 1
1605 1 61 LEU MD2 1 77 PHE QD 1.800 . 5.000 3.042 2.221 3.394 . 0 0 "[ . 1 . 2]" 1
1606 2 61 LEU MD2 2 77 PHE QD 1.800 . 5.000 3.042 2.214 3.387 . 0 0 "[ . 1 . 2]" 1
1607 1 11 LEU QD 1 78 VAL HA 1.800 . 6.000 5.542 5.256 5.996 . 0 0 "[ . 1 . 2]" 1
1608 2 11 LEU QD 2 78 VAL HA 1.800 . 6.000 5.549 5.247 6.005 0.005 19 0 "[ . 1 . 2]" 1
1609 1 11 LEU QD 1 78 VAL HB 1.800 . 6.000 3.601 3.369 3.956 . 0 0 "[ . 1 . 2]" 1
1610 2 11 LEU QD 2 78 VAL HB 1.800 . 6.000 3.610 3.381 3.950 . 0 0 "[ . 1 . 2]" 1
1611 1 11 LEU QD 1 78 VAL QG 1.800 . 5.000 2.587 2.259 3.000 . 0 0 "[ . 1 . 2]" 1
1612 2 11 LEU QD 2 78 VAL QG 1.800 . 5.000 2.597 2.215 3.021 . 0 0 "[ . 1 . 2]" 1
1613 1 11 LEU HA 1 78 VAL QG 1.800 . 6.000 5.253 5.057 5.442 . 0 0 "[ . 1 . 2]" 1
1614 2 11 LEU HA 2 78 VAL QG 1.800 . 6.000 5.253 5.057 5.439 . 0 0 "[ . 1 . 2]" 1
1615 1 45 LEU MD2 1 78 VAL MG2 1.800 . 6.000 5.681 5.345 6.072 0.072 6 0 "[ . 1 . 2]" 1
1616 2 45 LEU MD2 2 78 VAL MG2 1.800 . 6.000 5.682 5.327 6.071 0.071 6 0 "[ . 1 . 2]" 1
1617 1 45 LEU MD2 1 78 VAL MG1 1.800 . 6.000 5.885 4.831 6.140 0.140 20 0 "[ . 1 . 2]" 1
1618 2 45 LEU MD2 2 78 VAL MG1 1.800 . 6.000 5.880 4.819 6.140 0.140 20 0 "[ . 1 . 2]" 1
1619 1 57 VAL MG2 1 80 MET ME 1.800 . 6.000 2.500 1.893 3.517 . 0 0 "[ . 1 . 2]" 1
1620 2 57 VAL MG2 2 80 MET ME 1.800 . 6.000 2.500 1.882 3.556 . 0 0 "[ . 1 . 2]" 1
1621 1 57 VAL MG1 1 80 MET ME 1.800 . 6.000 4.545 3.856 5.562 . 0 0 "[ . 1 . 2]" 1
1622 2 57 VAL MG1 2 80 MET ME 1.800 . 6.000 4.549 3.846 5.573 . 0 0 "[ . 1 . 2]" 1
1623 1 57 VAL HA 1 80 MET ME 1.800 . 6.000 3.405 2.935 4.311 . 0 0 "[ . 1 . 2]" 1
1624 2 57 VAL HA 2 80 MET ME 1.800 . 6.000 3.416 2.933 4.346 . 0 0 "[ . 1 . 2]" 1
1625 1 60 THR HA 1 80 MET ME 1.800 . 5.000 4.944 4.605 5.074 0.074 20 0 "[ . 1 . 2]" 1
1626 2 60 THR HA 2 80 MET ME 1.800 . 5.000 4.944 4.603 5.091 0.091 19 0 "[ . 1 . 2]" 1
1627 1 60 THR MG 1 80 MET ME 1.800 . 5.000 2.368 2.020 2.696 . 0 0 "[ . 1 . 2]" 1
1628 2 60 THR MG 2 80 MET ME 1.800 . 5.000 2.366 2.025 2.744 . 0 0 "[ . 1 . 2]" 1
1629 1 61 LEU MD1 1 80 MET ME 1.800 . 4.200 3.900 3.174 4.182 . 0 0 "[ . 1 . 2]" 1
1630 2 61 LEU MD1 2 80 MET ME 1.800 . 4.200 3.897 3.132 4.177 . 0 0 "[ . 1 . 2]" 1
1631 1 61 LEU MD1 1 80 MET QB 1.800 . 6.000 3.338 3.040 4.192 . 0 0 "[ . 1 . 2]" 1
1632 2 61 LEU MD1 2 80 MET QB 1.800 . 6.000 3.335 3.044 4.189 . 0 0 "[ . 1 . 2]" 1
1633 1 61 LEU MD2 1 80 MET QB 1.800 . 6.000 3.115 2.640 4.883 . 0 0 "[ . 1 . 2]" 1
1634 2 61 LEU MD2 2 80 MET QB 1.800 . 6.000 3.119 2.642 4.889 . 0 0 "[ . 1 . 2]" 1
1635 1 37 ILE MG 1 81 VAL MG1 1.800 . 6.000 5.088 4.520 5.741 . 0 0 "[ . 1 . 2]" 1
1636 2 37 ILE MG 2 81 VAL MG1 1.800 . 6.000 5.097 4.538 5.737 . 0 0 "[ . 1 . 2]" 1
1637 1 41 LEU MD1 1 81 VAL MG1 1.800 . 6.000 2.953 2.199 3.844 . 0 0 "[ . 1 . 2]" 1
1638 2 41 LEU MD1 2 81 VAL MG1 1.800 . 6.000 2.947 2.202 3.847 . 0 0 "[ . 1 . 2]" 1
1639 1 41 LEU MD1 1 81 VAL MG2 1.800 . 6.000 2.649 2.059 4.423 . 0 0 "[ . 1 . 2]" 1
1640 2 41 LEU MD1 2 81 VAL MG2 1.800 . 6.000 2.654 2.056 4.423 . 0 0 "[ . 1 . 2]" 1
1641 1 41 LEU QB 1 81 VAL MG2 1.800 . 6.000 3.728 2.955 4.471 . 0 0 "[ . 1 . 2]" 1
1642 2 41 LEU QB 2 81 VAL MG2 1.800 . 6.000 3.724 2.966 4.483 . 0 0 "[ . 1 . 2]" 1
1643 1 41 LEU HG 1 81 VAL MG2 1.800 . 6.000 4.688 2.415 5.687 . 0 0 "[ . 1 . 2]" 1
1644 2 41 LEU HG 2 81 VAL MG2 1.800 . 6.000 4.688 2.414 5.672 . 0 0 "[ . 1 . 2]" 1
1645 1 41 LEU MD2 1 81 VAL MG1 1.800 . 4.200 4.055 3.477 4.373 0.173 20 0 "[ . 1 . 2]" 1
1646 2 41 LEU MD2 2 81 VAL MG1 1.800 . 4.200 4.054 3.562 4.373 0.173 20 0 "[ . 1 . 2]" 1
1647 1 41 LEU MD2 1 81 VAL MG2 1.800 . 4.200 3.728 3.048 4.309 0.109 6 0 "[ . 1 . 2]" 1
1648 2 41 LEU MD2 2 81 VAL MG2 1.800 . 4.200 3.733 3.047 4.344 0.144 6 0 "[ . 1 . 2]" 1
1649 1 45 LEU HG 1 81 VAL MG1 1.800 . 6.000 4.215 2.338 5.077 . 0 0 "[ . 1 . 2]" 1
1650 2 45 LEU HG 2 81 VAL MG1 1.800 . 6.000 4.224 2.366 5.084 . 0 0 "[ . 1 . 2]" 1
1651 1 45 LEU MD1 1 81 VAL MG1 1.800 . 6.000 2.825 2.062 3.975 . 0 0 "[ . 1 . 2]" 1
1652 2 45 LEU MD1 2 81 VAL MG1 1.800 . 6.000 2.827 2.060 3.973 . 0 0 "[ . 1 . 2]" 1
1653 1 45 LEU MD1 1 81 VAL MG2 1.800 . 3.500 3.071 2.014 3.571 0.071 8 0 "[ . 1 . 2]" 1
1654 2 45 LEU MD1 2 81 VAL MG2 1.800 . 3.500 3.075 2.026 3.573 0.073 8 0 "[ . 1 . 2]" 1
1655 1 45 LEU MD2 1 81 VAL MG1 1.800 . 4.200 2.531 1.875 3.713 . 0 0 "[ . 1 . 2]" 1
1656 2 45 LEU MD2 2 81 VAL MG1 1.800 . 4.200 2.531 1.872 3.682 . 0 0 "[ . 1 . 2]" 1
1657 1 45 LEU MD2 1 81 VAL MG2 1.800 . 4.200 2.797 2.032 3.788 . 0 0 "[ . 1 . 2]" 1
1658 2 45 LEU MD2 2 81 VAL MG2 1.800 . 4.200 2.798 2.024 3.787 . 0 0 "[ . 1 . 2]" 1
1659 1 6 LYS QB 2 9 VAL MG1 1.800 . 6.000 6.034 5.843 6.101 0.101 13 0 "[ . 1 . 2]" 1
1660 1 9 VAL MG1 2 6 LYS QB 1.800 . 6.000 6.035 5.813 6.115 0.115 13 0 "[ . 1 . 2]" 1
1661 1 3 GLU HA 2 10 ALA MB 1.800 . 6.000 3.149 2.851 3.388 . 0 0 "[ . 1 . 2]" 1
1662 1 10 ALA MB 2 3 GLU HA 1.800 . 6.000 3.171 2.903 3.425 . 0 0 "[ . 1 . 2]" 1
1663 1 3 GLU QG 2 10 ALA MB 1.800 . 5.000 3.667 3.195 4.071 . 0 0 "[ . 1 . 2]" 1
1664 1 10 ALA MB 2 3 GLU QG 1.800 . 5.000 3.694 3.325 4.093 . 0 0 "[ . 1 . 2]" 1
1665 1 3 GLU QB 2 10 ALA HA 1.800 . 3.500 3.010 2.780 3.305 . 0 0 "[ . 1 . 2]" 1
1666 1 10 ALA HA 2 3 GLU QB 1.800 . 3.500 3.014 2.818 3.315 . 0 0 "[ . 1 . 2]" 1
1667 1 4 LEU HA 2 10 ALA MB 1.800 . 5.000 3.774 3.476 4.294 . 0 0 "[ . 1 . 2]" 1
1668 1 10 ALA MB 2 4 LEU HA 1.800 . 5.000 3.775 3.382 4.264 . 0 0 "[ . 1 . 2]" 1
1669 1 4 LEU QD 2 10 ALA MB 1.800 . 6.000 3.817 3.307 4.623 . 0 0 "[ . 1 . 2]" 1
1670 1 10 ALA MB 2 4 LEU QD 1.800 . 6.000 3.820 3.388 4.638 . 0 0 "[ . 1 . 2]" 1
1671 1 3 GLU QB 2 11 LEU H 1.800 . 5.000 5.029 4.957 5.114 0.114 19 0 "[ . 1 . 2]" 1
1672 1 11 LEU H 2 3 GLU QB 1.800 . 5.000 5.032 4.940 5.119 0.119 19 0 "[ . 1 . 2]" 1
1673 1 4 LEU QD 2 11 LEU HG 1.800 . 6.000 2.826 2.312 3.558 . 0 0 "[ . 1 . 2]" 1
1674 1 11 LEU HG 2 4 LEU QD 1.800 . 6.000 2.835 2.306 3.553 . 0 0 "[ . 1 . 2]" 1
1675 1 4 LEU HA 2 11 LEU MD1 1.800 . 5.000 3.918 2.863 5.070 0.070 3 0 "[ . 1 . 2]" 1
1676 1 11 LEU MD1 2 4 LEU HA 1.800 . 5.000 3.923 2.879 5.079 0.079 14 0 "[ . 1 . 2]" 1
1677 1 7 ALA HA 2 11 LEU MD1 1.800 . 5.000 3.977 3.780 4.515 . 0 0 "[ . 1 . 2]" 1
1678 1 11 LEU MD1 2 7 ALA HA 1.800 . 5.000 3.987 3.796 4.526 . 0 0 "[ . 1 . 2]" 1
1679 1 7 ALA MB 2 11 LEU MD1 1.800 . 4.200 2.012 1.816 2.566 . 0 0 "[ . 1 . 2]" 1
1680 1 11 LEU MD1 2 7 ALA MB 1.800 . 4.200 2.019 1.821 2.568 . 0 0 "[ . 1 . 2]" 1
1681 1 7 ALA MB 2 11 LEU MD2 1.800 . 5.000 3.294 2.931 3.621 . 0 0 "[ . 1 . 2]" 1
1682 1 11 LEU MD2 2 7 ALA MB 1.800 . 5.000 3.301 2.914 3.624 . 0 0 "[ . 1 . 2]" 1
1683 1 3 GLU QB 2 14 VAL MG1 1.800 . 6.000 3.997 3.847 4.349 . 0 0 "[ . 1 . 2]" 1
1684 1 14 VAL MG1 2 3 GLU QB 1.800 . 6.000 3.993 3.829 4.287 . 0 0 "[ . 1 . 2]" 1
1685 1 3 GLU QG 2 14 VAL MG1 1.800 . 6.000 5.447 4.829 5.875 . 0 0 "[ . 1 . 2]" 1
1686 1 14 VAL MG1 2 3 GLU QG 1.800 . 6.000 5.438 4.811 5.812 . 0 0 "[ . 1 . 2]" 1
1687 1 3 GLU HA 2 14 VAL MG2 1.800 . 6.000 4.471 4.212 4.654 . 0 0 "[ . 1 . 2]" 1
1688 1 14 VAL MG2 2 3 GLU HA 1.800 . 6.000 4.473 4.214 4.665 . 0 0 "[ . 1 . 2]" 1
1689 1 3 GLU QB 2 14 VAL MG2 1.800 . 5.000 2.055 1.968 2.167 . 0 0 "[ . 1 . 2]" 1
1690 1 14 VAL MG2 2 3 GLU QB 1.800 . 5.000 2.055 1.964 2.167 . 0 0 "[ . 1 . 2]" 1
1691 1 3 GLU QG 2 14 VAL MG2 1.800 . 5.000 3.443 2.884 3.674 . 0 0 "[ . 1 . 2]" 1
1692 1 14 VAL MG2 2 3 GLU QG 1.800 . 5.000 3.439 2.856 3.675 . 0 0 "[ . 1 . 2]" 1
1693 1 4 LEU HA 2 14 VAL MG1 1.800 . 5.000 4.946 4.428 5.081 0.081 4 0 "[ . 1 . 2]" 1
1694 1 14 VAL MG1 2 4 LEU HA 1.800 . 5.000 4.950 4.434 5.092 0.092 9 0 "[ . 1 . 2]" 1
1695 1 4 LEU QB 2 14 VAL MG1 1.800 . 6.000 3.866 2.254 4.737 . 0 0 "[ . 1 . 2]" 1
1696 1 14 VAL MG1 2 4 LEU QB 1.800 . 6.000 3.875 2.271 4.717 . 0 0 "[ . 1 . 2]" 1
1697 1 4 LEU QB 2 14 VAL MG2 1.800 . 6.000 3.757 2.243 4.753 . 0 0 "[ . 1 . 2]" 1
1698 1 14 VAL MG2 2 4 LEU QB 1.800 . 6.000 3.765 2.245 4.764 . 0 0 "[ . 1 . 2]" 1
1699 1 4 LEU HG 2 14 VAL MG1 1.800 . 5.000 3.391 2.465 4.560 . 0 0 "[ . 1 . 2]" 1
1700 1 14 VAL MG1 2 4 LEU HG 1.800 . 5.000 3.401 2.482 4.606 . 0 0 "[ . 1 . 2]" 1
1701 1 4 LEU HG 2 14 VAL MG2 1.800 . 5.000 3.957 2.262 4.888 . 0 0 "[ . 1 . 2]" 1
1702 1 14 VAL MG2 2 4 LEU HG 1.800 . 5.000 3.966 2.271 4.899 . 0 0 "[ . 1 . 2]" 1
1703 1 4 LEU QD 2 14 VAL HB 1.800 . 5.000 2.598 2.148 3.213 . 0 0 "[ . 1 . 2]" 1
1704 1 14 VAL HB 2 4 LEU QD 1.800 . 5.000 2.603 2.151 3.197 . 0 0 "[ . 1 . 2]" 1
1705 1 4 LEU HG 2 36 LEU HG 1.800 . 6.000 4.986 3.871 6.084 0.084 5 0 "[ . 1 . 2]" 1
1706 1 36 LEU HG 2 4 LEU HG 1.800 . 6.000 4.985 3.860 6.093 0.093 5 0 "[ . 1 . 2]" 1
1707 1 2 SER QB 2 40 GLU HA 1.800 . 4.200 4.265 4.173 4.337 0.137 10 0 "[ . 1 . 2]" 1
1708 1 40 GLU HA 2 2 SER QB 1.800 . 4.200 4.269 4.201 4.348 0.148 10 0 "[ . 1 . 2]" 1
1709 1 4 LEU QB 2 40 GLU QB 1.800 . 6.000 3.032 2.235 3.971 . 0 0 "[ . 1 . 2]" 1
1710 1 40 GLU QB 2 4 LEU QB 1.800 . 6.000 3.033 2.230 3.941 . 0 0 "[ . 1 . 2]" 1
1711 1 4 LEU H 2 41 LEU MD2 1.800 . 5.000 4.658 4.166 5.074 0.074 6 0 "[ . 1 . 2]" 1
1712 1 41 LEU MD2 2 4 LEU H 1.800 . 5.000 4.649 4.156 5.081 0.081 18 0 "[ . 1 . 2]" 1
1713 1 4 LEU HA 2 41 LEU MD2 1.800 . 5.000 4.674 4.370 5.032 0.032 20 0 "[ . 1 . 2]" 1
1714 1 41 LEU MD2 2 4 LEU HA 1.800 . 5.000 4.670 4.376 5.030 0.030 20 0 "[ . 1 . 2]" 1
1715 1 4 LEU QD 2 41 LEU MD2 1.800 . 3.500 2.365 1.851 2.904 . 0 0 "[ . 1 . 2]" 1
1716 1 41 LEU MD2 2 4 LEU QD 1.800 . 3.500 2.377 1.859 2.897 . 0 0 "[ . 1 . 2]" 1
1717 1 4 LEU HG 2 41 LEU MD2 1.800 . 4.200 2.617 2.047 4.058 . 0 0 "[ . 1 . 2]" 1
1718 1 41 LEU MD2 2 4 LEU HG 1.800 . 4.200 2.611 2.056 4.037 . 0 0 "[ . 1 . 2]" 1
1719 1 4 LEU HG 2 41 LEU MD1 1.800 . 6.000 4.279 2.475 5.594 . 0 0 "[ . 1 . 2]" 1
1720 1 41 LEU MD1 2 4 LEU HG 1.800 . 6.000 4.271 2.499 5.625 . 0 0 "[ . 1 . 2]" 1
1721 1 4 LEU QD 2 41 LEU HG 1.800 . 6.000 4.077 2.970 4.892 . 0 0 "[ . 1 . 2]" 1
1722 1 41 LEU HG 2 4 LEU QD 1.800 . 6.000 4.078 2.927 4.863 . 0 0 "[ . 1 . 2]" 1
1723 1 4 LEU HG 2 41 LEU HG 1.800 . 6.000 4.799 3.840 6.068 0.068 3 0 "[ . 1 . 2]" 1
1724 1 41 LEU HG 2 4 LEU HG 1.800 . 6.000 4.788 3.854 6.064 0.064 2 0 "[ . 1 . 2]" 1
1725 1 8 MET ME 2 41 LEU MD1 1.800 . 4.200 2.866 1.839 3.612 . 0 0 "[ . 1 . 2]" 1
1726 1 41 LEU MD1 2 8 MET ME 1.800 . 4.200 2.873 1.847 3.599 . 0 0 "[ . 1 . 2]" 1
1727 1 8 MET ME 2 41 LEU MD2 1.800 . 5.000 2.468 1.905 3.948 . 0 0 "[ . 1 . 2]" 1
1728 1 41 LEU MD2 2 8 MET ME 1.800 . 5.000 2.480 1.882 3.946 . 0 0 "[ . 1 . 2]" 1
1729 1 8 MET ME 2 44 PHE QE 1.800 . 6.000 5.011 4.169 5.936 . 0 0 "[ . 1 . 2]" 1
1730 1 44 PHE QE 2 8 MET ME 1.800 . 6.000 5.012 4.163 5.939 . 0 0 "[ . 1 . 2]" 1
1731 1 9 VAL MG2 2 44 PHE HZ 1.800 . 5.000 4.587 3.873 4.999 . 0 0 "[ . 1 . 2]" 1
1732 1 44 PHE HZ 2 9 VAL MG2 1.800 . 5.000 4.595 3.849 5.013 0.013 20 0 "[ . 1 . 2]" 1
1733 1 9 VAL MG2 2 44 PHE QD 1.800 . 6.000 5.805 5.407 6.063 0.063 10 0 "[ . 1 . 2]" 1
1734 1 44 PHE QD 2 9 VAL MG2 1.800 . 6.000 5.811 5.370 6.088 0.088 10 0 "[ . 1 . 2]" 1
1735 1 9 VAL MG2 2 44 PHE QE 1.800 . 6.000 4.543 3.884 4.969 . 0 0 "[ . 1 . 2]" 1
1736 1 44 PHE QE 2 9 VAL MG2 1.800 . 6.000 4.550 3.849 4.981 . 0 0 "[ . 1 . 2]" 1
1737 1 60 THR MG 2 72 GLN QG 1.800 . 5.000 4.968 4.588 5.159 0.159 15 0 "[ . 1 . 2]" 1
1738 1 72 GLN QG 2 60 THR MG 1.800 . 5.000 4.965 4.587 5.147 0.147 15 0 "[ . 1 . 2]" 1
1739 1 60 THR MG 2 72 GLN QB 1.800 . 5.000 5.070 4.804 5.167 0.167 17 0 "[ . 1 . 2]" 1
1740 1 72 GLN QB 2 60 THR MG 1.800 . 5.000 5.070 4.801 5.167 0.167 5 0 "[ . 1 . 2]" 1
1741 1 4 LEU QD 2 74 PHE QE 1.800 . 6.000 4.111 3.668 4.689 . 0 0 "[ . 1 . 2]" 1
1742 1 74 PHE QE 2 4 LEU QD 1.800 . 6.000 4.115 3.659 4.661 . 0 0 "[ . 1 . 2]" 1
1743 1 4 LEU QD 2 74 PHE HZ 1.800 . 5.000 3.713 3.038 4.195 . 0 0 "[ . 1 . 2]" 1
1744 1 74 PHE HZ 2 4 LEU QD 1.800 . 5.000 3.719 3.024 4.164 . 0 0 "[ . 1 . 2]" 1
1745 1 4 LEU QD 2 78 VAL MG1 1.800 . 5.000 2.313 1.861 3.386 . 0 0 "[ . 1 . 2]" 1
1746 1 78 VAL MG1 2 4 LEU QD 1.800 . 5.000 2.305 1.857 3.380 . 0 0 "[ . 1 . 2]" 1
1747 1 4 LEU QD 2 78 VAL MG2 1.800 . 4.200 2.089 1.862 2.802 . 0 0 "[ . 1 . 2]" 1
1748 1 78 VAL MG2 2 4 LEU QD 1.800 . 4.200 2.087 1.856 2.763 . 0 0 "[ . 1 . 2]" 1
1749 1 8 MET ME 2 78 VAL HA 1.800 . 4.200 3.629 3.054 4.246 0.046 20 0 "[ . 1 . 2]" 1
1750 1 78 VAL HA 2 8 MET ME 1.800 . 4.200 3.629 3.060 4.245 0.045 20 0 "[ . 1 . 2]" 1
1751 1 8 MET ME 2 78 VAL MG1 1.800 . 3.500 2.240 1.958 2.800 . 0 0 "[ . 1 . 2]" 1
1752 1 78 VAL MG1 2 8 MET ME 1.800 . 3.500 2.244 1.967 2.801 . 0 0 "[ . 1 . 2]" 1
1753 1 8 MET ME 2 78 VAL MG2 1.800 . 4.200 3.403 2.870 4.202 0.002 13 0 "[ . 1 . 2]" 1
1754 1 78 VAL MG2 2 8 MET ME 1.800 . 4.200 3.406 2.852 4.192 . 0 0 "[ . 1 . 2]" 1
1755 1 8 MET HA 2 78 VAL MG1 1.800 . 6.000 3.683 3.516 3.748 . 0 0 "[ . 1 . 2]" 1
1756 1 78 VAL MG1 2 8 MET HA 1.800 . 6.000 3.687 3.520 3.772 . 0 0 "[ . 1 . 2]" 1
1757 1 8 MET HA 2 78 VAL MG2 1.800 . 6.000 6.094 5.970 6.172 0.172 3 0 "[ . 1 . 2]" 1
1758 1 78 VAL MG2 2 8 MET HA 1.800 . 6.000 6.101 5.971 6.175 0.175 15 0 "[ . 1 . 2]" 1
1759 1 8 MET H 2 78 VAL MG2 1.800 . 6.000 5.829 5.578 5.955 . 0 0 "[ . 1 . 2]" 1
1760 1 78 VAL MG2 2 8 MET H 1.800 . 6.000 5.840 5.576 5.988 . 0 0 "[ . 1 . 2]" 1
1761 1 8 MET H 2 78 VAL MG1 1.800 . 6.000 3.993 3.516 4.331 . 0 0 "[ . 1 . 2]" 1
1762 1 78 VAL MG1 2 8 MET H 1.800 . 6.000 3.998 3.506 4.344 . 0 0 "[ . 1 . 2]" 1
1763 1 11 LEU QD 2 79 SER HA 1.800 . 6.000 4.483 4.002 4.783 . 0 0 "[ . 1 . 2]" 1
1764 1 79 SER HA 2 11 LEU QD 1.800 . 6.000 4.486 4.017 4.820 . 0 0 "[ . 1 . 2]" 1
1765 1 75 MET QB 2 79 SER HA 1.800 . 5.000 3.902 3.600 4.240 . 0 0 "[ . 1 . 2]" 1
1766 1 79 SER HA 2 75 MET QB 1.800 . 5.000 3.904 3.595 4.248 . 0 0 "[ . 1 . 2]" 1
1767 1 75 MET QB 2 79 SER QB 1.800 . 5.000 2.073 1.937 2.294 . 0 0 "[ . 1 . 2]" 1
1768 1 79 SER QB 2 75 MET QB 1.800 . 5.000 2.075 1.935 2.302 . 0 0 "[ . 1 . 2]" 1
1769 1 8 MET ME 2 81 VAL MG1 1.800 . 4.200 3.184 2.019 4.250 0.050 17 0 "[ . 1 . 2]" 1
1770 1 81 VAL MG1 2 8 MET ME 1.800 . 4.200 3.189 2.040 4.244 0.044 17 0 "[ . 1 . 2]" 1
1771 1 8 MET ME 2 81 VAL MG2 1.800 . 3.500 2.728 1.850 3.640 0.140 12 0 "[ . 1 . 2]" 1
1772 1 81 VAL MG2 2 8 MET ME 1.800 . 3.500 2.725 1.850 3.632 0.132 12 0 "[ . 1 . 2]" 1
1773 1 8 MET ME 2 81 VAL HB 1.800 . 4.200 3.527 2.491 4.355 0.155 3 0 "[ . 1 . 2]" 1
1774 1 81 VAL HB 2 8 MET ME 1.800 . 4.200 3.518 2.435 4.346 0.146 3 0 "[ . 1 . 2]" 1
1775 1 8 MET ME 2 82 THR HA 1.800 . 5.000 3.918 2.459 4.749 . 0 0 "[ . 1 . 2]" 1
1776 1 82 THR HA 2 8 MET ME 1.800 . 5.000 3.906 2.459 4.748 . 0 0 "[ . 1 . 2]" 1
1777 1 8 MET ME 2 82 THR MG 1.800 . 5.000 4.244 3.254 5.044 0.044 10 0 "[ . 1 . 2]" 1
1778 1 82 THR MG 2 8 MET ME 1.800 . 5.000 4.245 3.248 5.015 0.015 10 0 "[ . 1 . 2]" 1
1779 1 8 MET ME 2 82 THR HB 1.800 . 6.000 5.067 3.884 5.872 . 0 0 "[ . 1 . 2]" 1
1780 1 82 THR HB 2 8 MET ME 1.800 . 6.000 5.059 3.851 5.875 . 0 0 "[ . 1 . 2]" 1
1781 1 8 MET HA 2 82 THR MG 1.800 . 5.000 2.523 2.220 3.780 . 0 0 "[ . 1 . 2]" 1
1782 1 82 THR MG 2 8 MET HA 1.800 . 5.000 2.519 2.246 3.759 . 0 0 "[ . 1 . 2]" 1
1783 1 11 LEU HA 2 82 THR MG 1.800 . 6.000 5.535 5.013 5.984 . 0 0 "[ . 1 . 2]" 1
1784 1 82 THR MG 2 11 LEU HA 1.800 . 6.000 5.539 5.025 6.016 0.016 16 0 "[ . 1 . 2]" 1
1785 1 11 LEU QB 2 82 THR MG 1.800 . 6.000 3.078 2.585 3.524 . 0 0 "[ . 1 . 2]" 1
1786 1 82 THR MG 2 11 LEU QB 1.800 . 6.000 3.081 2.593 3.548 . 0 0 "[ . 1 . 2]" 1
1787 1 11 LEU MD2 2 82 THR HB 1.800 . 6.000 5.343 4.406 6.052 0.052 14 0 "[ . 1 . 2]" 1
1788 1 82 THR HB 2 11 LEU MD2 1.800 . 6.000 5.342 4.391 6.047 0.047 14 0 "[ . 1 . 2]" 1
1789 1 11 LEU MD2 2 82 THR MG 1.800 . 5.000 4.195 3.507 4.869 . 0 0 "[ . 1 . 2]" 1
1790 1 82 THR MG 2 11 LEU MD2 1.800 . 5.000 4.191 3.502 4.873 . 0 0 "[ . 1 . 2]" 1
1791 1 15 PHE QD 2 82 THR MG 1.800 . 6.000 4.121 3.219 4.740 . 0 0 "[ . 1 . 2]" 1
1792 1 82 THR MG 2 15 PHE QD 1.800 . 6.000 4.123 3.257 4.752 . 0 0 "[ . 1 . 2]" 1
1793 1 75 MET QB 2 82 THR MG 1.800 . 6.000 5.755 4.793 6.136 0.136 19 0 "[ . 1 . 2]" 1
1794 1 82 THR MG 2 75 MET QB 1.800 . 6.000 5.754 4.826 6.138 0.138 19 0 "[ . 1 . 2]" 1
1795 1 75 MET QG 2 82 THR MG 1.800 . 6.000 5.188 4.224 5.904 . 0 0 "[ . 1 . 2]" 1
1796 1 82 THR MG 2 75 MET QG 1.800 . 6.000 5.188 4.242 5.902 . 0 0 "[ . 1 . 2]" 1
1797 1 15 PHE QD 2 83 THR MG 1.800 . 5.000 4.146 3.356 4.693 . 0 0 "[ . 1 . 2]" 1
1798 1 83 THR MG 2 15 PHE QD 1.800 . 5.000 4.151 3.355 4.697 . 0 0 "[ . 1 . 2]" 1
1799 1 15 PHE QD 2 83 THR HA 1.800 . 5.000 4.897 4.508 5.082 0.082 20 0 "[ . 1 . 2]" 1
1800 1 83 THR HA 2 15 PHE QD 1.800 . 5.000 4.906 4.535 5.101 0.101 20 0 "[ . 1 . 2]" 1
1801 1 12 ILE MD 2 83 THR MG 1.800 . 6.000 5.428 4.414 6.027 0.027 15 0 "[ . 1 . 2]" 1
1802 1 83 THR MG 2 12 ILE MD 1.800 . 6.000 5.428 4.410 6.036 0.036 15 0 "[ . 1 . 2]" 1
1803 1 12 ILE HA 2 83 THR MG 1.800 . 6.000 6.108 6.018 6.196 0.196 5 0 "[ . 1 . 2]" 1
1804 1 83 THR MG 2 12 ILE HA 1.800 . 6.000 6.111 6.031 6.187 0.187 5 0 "[ . 1 . 2]" 1
1805 1 71 PHE QD 2 83 THR MG 1.800 . 5.000 2.224 2.100 2.349 . 0 0 "[ . 1 . 2]" 1
1806 1 83 THR MG 2 71 PHE QD 1.800 . 5.000 2.225 2.092 2.362 . 0 0 "[ . 1 . 2]" 1
1807 1 71 PHE QD 2 83 THR HA 1.800 . 5.000 5.044 3.284 5.231 0.231 15 0 "[ . 1 . 2]" 1
1808 1 83 THR HA 2 71 PHE QD 1.800 . 5.000 5.049 3.307 5.225 0.225 15 0 "[ . 1 . 2]" 1
1809 1 72 GLN HA 2 83 THR MG 1.800 . 4.200 4.080 3.751 4.315 0.115 10 0 "[ . 1 . 2]" 1
1810 1 83 THR MG 2 72 GLN HA 1.800 . 4.200 4.080 3.750 4.312 0.112 10 0 "[ . 1 . 2]" 1
1811 1 72 GLN QB 2 83 THR MG 1.800 . 4.200 4.151 3.953 4.282 0.082 13 0 "[ . 1 . 2]" 1
1812 1 83 THR MG 2 72 GLN QB 1.800 . 4.200 4.149 3.958 4.279 0.079 13 0 "[ . 1 . 2]" 1
1813 1 72 GLN QG 2 83 THR MG 1.800 . 5.000 4.936 4.282 5.165 0.165 9 0 "[ . 1 . 2]" 1
1814 1 83 THR MG 2 72 GLN QG 1.800 . 5.000 4.938 4.290 5.154 0.154 9 0 "[ . 1 . 2]" 1
1815 1 75 MET QB 2 83 THR MG 1.800 . 6.000 4.833 4.595 5.195 . 0 0 "[ . 1 . 2]" 1
1816 1 83 THR MG 2 75 MET QB 1.800 . 6.000 4.833 4.594 5.203 . 0 0 "[ . 1 . 2]" 1
1817 1 75 MET QG 2 83 THR MG 1.800 . 6.000 5.594 4.539 6.049 0.049 13 0 "[ . 1 . 2]" 1
1818 1 83 THR MG 2 75 MET QG 1.800 . 6.000 5.594 4.543 6.048 0.048 13 0 "[ . 1 . 2]" 1
1819 1 12 ILE MD 2 85 CYS QB 1.800 . 6.000 3.040 2.234 4.836 . 0 0 "[ . 1 . 2]" 1
1820 1 85 CYS QB 2 12 ILE MD 1.800 . 6.000 3.052 2.311 4.834 . 0 0 "[ . 1 . 2]" 1
1821 1 12 ILE MD 2 86 HIS HD2 1.800 . 6.000 5.203 3.971 6.030 0.030 3 0 "[ . 1 . 2]" 1
1822 1 86 HIS HD2 2 12 ILE MD 1.800 . 6.000 5.186 3.981 6.015 0.015 7 0 "[ . 1 . 2]" 1
1823 1 12 ILE MG 2 86 HIS HD2 1.800 . 5.000 4.368 3.199 5.044 0.044 6 0 "[ . 1 . 2]" 1
1824 1 86 HIS HD2 2 12 ILE MG 1.800 . 5.000 4.362 3.152 5.039 0.039 6 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 180
_Distance_constraint_stats_list.Viol_count 448
_Distance_constraint_stats_list.Viol_total 567.775
_Distance_constraint_stats_list.Viol_max 0.191
_Distance_constraint_stats_list.Viol_rms 0.0261
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.0634
_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 3 GLU 0.204 0.077 3 0 "[ . 1 . 2]"
1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 0.204 0.077 3 0 "[ . 1 . 2]"
1 8 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.129 0.051 6 0 "[ . 1 . 2]"
1 10 ALA 1.190 0.145 10 0 "[ . 1 . 2]"
1 11 LEU 1.625 0.102 1 0 "[ . 1 . 2]"
1 12 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.129 0.051 6 0 "[ . 1 . 2]"
1 14 VAL 1.190 0.145 10 0 "[ . 1 . 2]"
1 15 PHE 1.625 0.102 1 0 "[ . 1 . 2]"
1 16 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLN 2.153 0.174 15 0 "[ . 1 . 2]"
1 18 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 2.153 0.174 15 0 "[ . 1 . 2]"
1 28 LEU 2.232 0.166 8 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 SER 2.119 0.098 1 0 "[ . 1 . 2]"
1 32 GLU 0.096 0.040 1 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 2.119 0.098 1 0 "[ . 1 . 2]"
1 36 LEU 0.096 0.040 1 0 "[ . 1 . 2]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.008 0.004 20 0 "[ . 1 . 2]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASP 0.116 0.040 20 0 "[ . 1 . 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 VAL 0.008 0.004 20 0 "[ . 1 . 2]"
1 58 MET 0.041 0.024 16 0 "[ . 1 . 2]"
1 59 GLU 0.116 0.040 20 0 "[ . 1 . 2]"
1 60 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASP 0.041 0.024 16 0 "[ . 1 . 2]"
1 69 CYS 2.232 0.166 8 0 "[ . 1 . 2]"
1 71 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLN 2.972 0.188 18 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 PHE 1.175 0.126 3 0 "[ . 1 . 2]"
1 75 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ALA 2.972 0.188 18 0 "[ . 1 . 2]"
1 77 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 1.175 0.126 3 0 "[ . 1 . 2]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 MET 0.087 0.048 19 0 "[ . 1 . 2]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 THR 0.015 0.015 18 0 "[ . 1 . 2]"
1 83 THR 0.024 0.019 17 0 "[ . 1 . 2]"
1 84 ALA 0.087 0.048 19 0 "[ . 1 . 2]"
1 85 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 HIS 0.015 0.015 18 0 "[ . 1 . 2]"
1 87 GLU 0.024 0.019 17 0 "[ . 1 . 2]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 GLU 0.193 0.072 3 0 "[ . 1 . 2]"
2 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 ALA 0.193 0.072 3 0 "[ . 1 . 2]"
2 8 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 VAL 0.116 0.039 13 0 "[ . 1 . 2]"
2 10 ALA 1.191 0.148 10 0 "[ . 1 . 2]"
2 11 LEU 1.637 0.101 1 0 "[ . 1 . 2]"
2 12 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ASP 0.116 0.039 13 0 "[ . 1 . 2]"
2 14 VAL 1.191 0.148 10 0 "[ . 1 . 2]"
2 15 PHE 1.637 0.101 1 0 "[ . 1 . 2]"
2 16 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 GLN 2.146 0.175 15 0 "[ . 1 . 2]"
2 18 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 ARG 2.146 0.175 15 0 "[ . 1 . 2]"
2 28 LEU 2.248 0.165 8 0 "[ . 1 . 2]"
2 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 SER 2.140 0.096 1 0 "[ . 1 . 2]"
2 32 GLU 0.104 0.038 1 0 "[ . 1 . 2]"
2 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 GLU 2.140 0.096 1 0 "[ . 1 . 2]"
2 36 LEU 0.104 0.038 1 0 "[ . 1 . 2]"
2 37 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 VAL 0.008 0.007 20 0 "[ . 1 . 2]"
2 54 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 ASP 0.111 0.039 12 0 "[ . 1 . 2]"
2 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 VAL 0.008 0.007 20 0 "[ . 1 . 2]"
2 58 MET 0.042 0.025 16 0 "[ . 1 . 2]"
2 59 GLU 0.111 0.039 12 0 "[ . 1 . 2]"
2 60 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 62 ASP 0.042 0.025 16 0 "[ . 1 . 2]"
2 69 CYS 2.248 0.165 8 0 "[ . 1 . 2]"
2 71 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 72 GLN 2.983 0.191 18 0 "[ . 1 . 2]"
2 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 74 PHE 1.168 0.122 3 0 "[ . 1 . 2]"
2 75 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 76 ALA 2.983 0.191 18 0 "[ . 1 . 2]"
2 77 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 78 VAL 1.168 0.122 3 0 "[ . 1 . 2]"
2 79 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 80 MET 0.071 0.034 20 0 "[ . 1 . 2]"
2 81 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 82 THR 0.014 0.014 18 0 "[ . 1 . 2]"
2 83 THR 0.031 0.024 17 0 "[ . 1 . 2]"
2 84 ALA 0.071 0.034 20 0 "[ . 1 . 2]"
2 85 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 HIS 0.014 0.014 18 0 "[ . 1 . 2]"
2 87 GLU 0.031 0.024 17 0 "[ . 1 . 2]"
2 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU O 1 7 ALA H 1.500 . 2.800 2.473 2.294 2.635 . 0 0 "[ . 1 . 2]" 2
2 2 3 GLU O 2 7 ALA H 1.500 . 2.800 2.471 2.293 2.630 . 0 0 "[ . 1 . 2]" 2
3 1 3 GLU O 1 7 ALA N 2.400 2.400 3.500 3.429 3.227 3.577 0.077 3 0 "[ . 1 . 2]" 2
4 2 3 GLU O 2 7 ALA N 2.400 2.400 3.500 3.427 3.225 3.572 0.072 3 0 "[ . 1 . 2]" 2
5 1 4 LEU O 1 8 MET H 1.500 . 2.800 2.201 1.996 2.406 . 0 0 "[ . 1 . 2]" 2
6 2 4 LEU O 2 8 MET H 1.500 . 2.800 2.200 1.997 2.405 . 0 0 "[ . 1 . 2]" 2
7 1 4 LEU O 1 8 MET N 2.400 2.400 3.500 3.157 2.948 3.381 . 0 0 "[ . 1 . 2]" 2
8 2 4 LEU O 2 8 MET N 2.400 2.400 3.500 3.156 2.949 3.380 . 0 0 "[ . 1 . 2]" 2
9 1 5 GLU O 1 9 VAL H 1.500 . 2.800 2.278 1.961 2.545 . 0 0 "[ . 1 . 2]" 2
10 2 5 GLU O 2 9 VAL H 1.500 . 2.800 2.279 1.963 2.557 . 0 0 "[ . 1 . 2]" 2
11 1 5 GLU O 1 9 VAL N 2.400 2.400 3.500 3.168 2.861 3.401 . 0 0 "[ . 1 . 2]" 2
12 2 5 GLU O 2 9 VAL N 2.400 2.400 3.500 3.169 2.862 3.414 . 0 0 "[ . 1 . 2]" 2
13 1 6 LYS O 1 10 ALA H 1.500 . 2.800 1.801 1.530 2.048 . 0 0 "[ . 1 . 2]" 2
14 2 6 LYS O 2 10 ALA H 1.500 . 2.800 1.803 1.532 2.049 . 0 0 "[ . 1 . 2]" 2
15 1 6 LYS O 1 10 ALA N 2.400 2.400 3.500 2.750 2.487 2.980 . 0 0 "[ . 1 . 2]" 2
16 2 6 LYS O 2 10 ALA N 2.400 2.400 3.500 2.752 2.487 2.981 . 0 0 "[ . 1 . 2]" 2
17 1 7 ALA O 1 11 LEU H 1.500 . 2.800 1.897 1.753 2.254 . 0 0 "[ . 1 . 2]" 2
18 2 7 ALA O 2 11 LEU H 1.500 . 2.800 1.898 1.751 2.255 . 0 0 "[ . 1 . 2]" 2
19 1 7 ALA O 1 11 LEU N 2.400 2.400 3.500 2.813 2.677 3.138 . 0 0 "[ . 1 . 2]" 2
20 2 7 ALA O 2 11 LEU N 2.400 2.400 3.500 2.814 2.683 3.140 . 0 0 "[ . 1 . 2]" 2
21 1 8 MET O 1 12 ILE H 1.500 . 2.800 2.082 1.764 2.336 . 0 0 "[ . 1 . 2]" 2
22 2 8 MET O 2 12 ILE H 1.500 . 2.800 2.083 1.760 2.336 . 0 0 "[ . 1 . 2]" 2
23 1 8 MET O 1 12 ILE N 2.400 2.400 3.500 3.032 2.716 3.274 . 0 0 "[ . 1 . 2]" 2
24 2 8 MET O 2 12 ILE N 2.400 2.400 3.500 3.032 2.711 3.272 . 0 0 "[ . 1 . 2]" 2
25 1 9 VAL O 1 13 ASP H 1.500 . 2.800 2.565 2.379 2.657 . 0 0 "[ . 1 . 2]" 2
26 2 9 VAL O 2 13 ASP H 1.500 . 2.800 2.565 2.381 2.654 . 0 0 "[ . 1 . 2]" 2
27 1 9 VAL O 1 13 ASP N 2.400 2.400 3.500 3.461 3.284 3.551 0.051 6 0 "[ . 1 . 2]" 2
28 2 9 VAL O 2 13 ASP N 2.400 2.400 3.500 3.460 3.286 3.539 0.039 13 0 "[ . 1 . 2]" 2
29 1 10 ALA O 1 14 VAL H 1.500 . 2.800 2.596 2.542 2.678 . 0 0 "[ . 1 . 2]" 2
30 2 10 ALA O 2 14 VAL H 1.500 . 2.800 2.596 2.539 2.681 . 0 0 "[ . 1 . 2]" 2
31 1 10 ALA O 1 14 VAL N 2.400 2.400 3.500 3.559 3.497 3.645 0.145 10 0 "[ . 1 . 2]" 2
32 2 10 ALA O 2 14 VAL N 2.400 2.400 3.500 3.559 3.494 3.648 0.148 10 0 "[ . 1 . 2]" 2
33 1 11 LEU O 1 15 PHE H 1.500 . 2.800 1.442 1.398 1.480 0.102 1 0 "[ . 1 . 2]" 2
34 2 11 LEU O 2 15 PHE H 1.500 . 2.800 1.442 1.399 1.479 0.101 1 0 "[ . 1 . 2]" 2
35 1 11 LEU O 1 15 PHE N 2.400 2.400 3.500 2.379 2.346 2.429 0.054 20 0 "[ . 1 . 2]" 2
36 2 11 LEU O 2 15 PHE N 2.400 2.400 3.500 2.379 2.345 2.429 0.055 20 0 "[ . 1 . 2]" 2
37 1 12 ILE O 1 16 HIS H 1.500 . 2.800 2.142 1.913 2.508 . 0 0 "[ . 1 . 2]" 2
38 2 12 ILE O 2 16 HIS H 1.500 . 2.800 2.144 1.912 2.506 . 0 0 "[ . 1 . 2]" 2
39 1 12 ILE O 1 16 HIS N 2.400 2.400 3.500 3.081 2.888 3.480 . 0 0 "[ . 1 . 2]" 2
40 2 12 ILE O 2 16 HIS N 2.400 2.400 3.500 3.083 2.887 3.480 . 0 0 "[ . 1 . 2]" 2
41 1 13 ASP O 1 17 GLN H 1.500 . 2.800 2.163 1.953 2.336 . 0 0 "[ . 1 . 2]" 2
42 2 13 ASP O 2 17 GLN H 1.500 . 2.800 2.164 1.944 2.335 . 0 0 "[ . 1 . 2]" 2
43 1 13 ASP O 1 17 GLN N 2.400 2.400 3.500 3.053 2.838 3.211 . 0 0 "[ . 1 . 2]" 2
44 2 13 ASP O 2 17 GLN N 2.400 2.400 3.500 3.054 2.830 3.208 . 0 0 "[ . 1 . 2]" 2
45 1 14 VAL O 1 18 TYR H 1.500 . 2.800 2.360 2.235 2.587 . 0 0 "[ . 1 . 2]" 2
46 2 14 VAL O 2 18 TYR H 1.500 . 2.800 2.359 2.232 2.588 . 0 0 "[ . 1 . 2]" 2
47 1 14 VAL O 1 18 TYR N 2.400 2.400 3.500 3.271 3.136 3.460 . 0 0 "[ . 1 . 2]" 2
48 2 14 VAL O 2 18 TYR N 2.400 2.400 3.500 3.269 3.132 3.459 . 0 0 "[ . 1 . 2]" 2
49 1 15 PHE O 1 19 SER H 1.500 . 2.800 2.112 1.899 2.340 . 0 0 "[ . 1 . 2]" 2
50 2 15 PHE O 2 19 SER H 1.500 . 2.800 2.110 1.887 2.337 . 0 0 "[ . 1 . 2]" 2
51 1 15 PHE O 1 19 SER N 2.400 2.400 3.500 2.899 2.676 3.273 . 0 0 "[ . 1 . 2]" 2
52 2 15 PHE O 2 19 SER N 2.400 2.400 3.500 2.897 2.667 3.271 . 0 0 "[ . 1 . 2]" 2
53 1 16 HIS O 1 20 GLY H 1.500 . 2.800 2.116 1.655 2.337 . 0 0 "[ . 1 . 2]" 2
54 2 16 HIS O 2 20 GLY H 1.500 . 2.800 2.117 1.653 2.338 . 0 0 "[ . 1 . 2]" 2
55 1 16 HIS O 1 20 GLY N 2.400 2.400 3.500 2.776 2.536 3.030 . 0 0 "[ . 1 . 2]" 2
56 2 16 HIS O 2 20 GLY N 2.400 2.400 3.500 2.777 2.539 3.031 . 0 0 "[ . 1 . 2]" 2
57 1 17 GLN O 1 21 ARG H 1.500 . 2.800 2.908 2.860 2.974 0.174 15 0 "[ . 1 . 2]" 2
58 2 17 GLN O 2 21 ARG H 1.500 . 2.800 2.907 2.864 2.975 0.175 15 0 "[ . 1 . 2]" 2
59 1 17 GLN O 1 21 ARG N 2.400 2.400 3.500 3.122 3.036 3.222 . 0 0 "[ . 1 . 2]" 2
60 2 17 GLN O 2 21 ARG N 2.400 2.400 3.500 3.122 3.035 3.223 . 0 0 "[ . 1 . 2]" 2
61 1 28 LEU O 1 69 CYS H 1.500 . 2.800 2.456 2.215 2.641 . 0 0 "[ . 1 . 2]" 2
62 2 28 LEU O 2 69 CYS H 1.500 . 2.800 2.456 2.215 2.642 . 0 0 "[ . 1 . 2]" 2
63 1 28 LEU O 1 69 CYS N 2.400 2.400 3.500 3.407 3.165 3.579 0.079 5 0 "[ . 1 . 2]" 2
64 2 28 LEU O 2 69 CYS N 2.400 2.400 3.500 3.407 3.166 3.579 0.079 5 0 "[ . 1 . 2]" 2
65 1 28 LEU H 1 69 CYS O 1.500 . 2.800 2.751 2.550 2.921 0.121 8 0 "[ . 1 . 2]" 2
66 2 28 LEU H 2 69 CYS O 1.500 . 2.800 2.752 2.549 2.921 0.121 8 0 "[ . 1 . 2]" 2
67 1 28 LEU N 1 69 CYS O 2.400 2.400 3.500 3.585 3.509 3.666 0.166 8 0 "[ . 1 . 2]" 2
68 2 28 LEU N 2 69 CYS O 2.400 2.400 3.500 3.586 3.509 3.665 0.165 8 0 "[ . 1 . 2]" 2
69 1 30 LYS O 1 34 LYS H 1.500 . 2.800 1.982 1.773 2.343 . 0 0 "[ . 1 . 2]" 2
70 2 30 LYS O 2 34 LYS H 1.500 . 2.800 1.982 1.777 2.343 . 0 0 "[ . 1 . 2]" 2
71 1 30 LYS O 1 34 LYS N 2.400 2.400 3.500 2.887 2.702 3.205 . 0 0 "[ . 1 . 2]" 2
72 2 30 LYS O 2 34 LYS N 2.400 2.400 3.500 2.887 2.704 3.204 . 0 0 "[ . 1 . 2]" 2
73 1 31 SER O 1 35 GLU H 1.500 . 2.800 2.843 2.816 2.865 0.065 1 0 "[ . 1 . 2]" 2
74 2 31 SER O 2 35 GLU H 1.500 . 2.800 2.843 2.817 2.864 0.064 1 0 "[ . 1 . 2]" 2
75 1 31 SER O 1 35 GLU N 2.400 2.400 3.500 3.563 3.537 3.598 0.098 1 0 "[ . 1 . 2]" 2
76 2 31 SER O 2 35 GLU N 2.400 2.400 3.500 3.564 3.536 3.596 0.096 1 0 "[ . 1 . 2]" 2
77 1 32 GLU O 1 36 LEU H 1.500 . 2.800 1.660 1.509 2.299 . 0 0 "[ . 1 . 2]" 2
78 2 32 GLU O 2 36 LEU H 1.500 . 2.800 1.660 1.508 2.299 . 0 0 "[ . 1 . 2]" 2
79 1 32 GLU O 1 36 LEU N 2.400 2.400 3.500 2.490 2.360 3.019 0.040 1 0 "[ . 1 . 2]" 2
80 2 32 GLU O 2 36 LEU N 2.400 2.400 3.500 2.490 2.362 3.020 0.038 1 0 "[ . 1 . 2]" 2
81 1 33 LEU O 1 37 ILE H 1.500 . 2.800 2.042 1.740 2.575 . 0 0 "[ . 1 . 2]" 2
82 2 33 LEU O 2 37 ILE H 1.500 . 2.800 2.042 1.736 2.577 . 0 0 "[ . 1 . 2]" 2
83 1 33 LEU O 1 37 ILE N 2.400 2.400 3.500 2.921 2.629 3.376 . 0 0 "[ . 1 . 2]" 2
84 2 33 LEU O 2 37 ILE N 2.400 2.400 3.500 2.921 2.626 3.376 . 0 0 "[ . 1 . 2]" 2
85 1 34 LYS O 1 38 ASN H 1.500 . 2.800 2.282 2.107 2.408 . 0 0 "[ . 1 . 2]" 2
86 2 34 LYS O 2 38 ASN H 1.500 . 2.800 2.281 2.106 2.405 . 0 0 "[ . 1 . 2]" 2
87 1 34 LYS O 1 38 ASN N 2.400 2.400 3.500 3.186 2.987 3.312 . 0 0 "[ . 1 . 2]" 2
88 2 34 LYS O 2 38 ASN N 2.400 2.400 3.500 3.186 2.986 3.311 . 0 0 "[ . 1 . 2]" 2
89 1 35 GLU O 1 39 ASN H 1.500 . 2.800 2.060 1.701 2.285 . 0 0 "[ . 1 . 2]" 2
90 2 35 GLU O 2 39 ASN H 1.500 . 2.800 2.059 1.699 2.287 . 0 0 "[ . 1 . 2]" 2
91 1 35 GLU O 1 39 ASN N 2.400 2.400 3.500 2.856 2.589 3.032 . 0 0 "[ . 1 . 2]" 2
92 2 35 GLU O 2 39 ASN N 2.400 2.400 3.500 2.855 2.587 3.032 . 0 0 "[ . 1 . 2]" 2
93 1 51 GLN O 1 55 ASP H 1.500 . 2.800 1.802 1.629 2.045 . 0 0 "[ . 1 . 2]" 2
94 2 51 GLN O 2 55 ASP H 1.500 . 2.800 1.803 1.632 2.045 . 0 0 "[ . 1 . 2]" 2
95 1 51 GLN O 1 55 ASP N 2.400 2.400 3.500 2.593 2.436 2.836 . 0 0 "[ . 1 . 2]" 2
96 2 51 GLN O 2 55 ASP N 2.400 2.400 3.500 2.594 2.441 2.836 . 0 0 "[ . 1 . 2]" 2
97 1 52 GLU O 1 56 LYS H 1.500 . 2.800 2.123 1.992 2.249 . 0 0 "[ . 1 . 2]" 2
98 2 52 GLU O 2 56 LYS H 1.500 . 2.800 2.124 1.990 2.251 . 0 0 "[ . 1 . 2]" 2
99 1 52 GLU O 1 56 LYS N 2.400 2.400 3.500 2.931 2.829 3.062 . 0 0 "[ . 1 . 2]" 2
100 2 52 GLU O 2 56 LYS N 2.400 2.400 3.500 2.932 2.830 3.056 . 0 0 "[ . 1 . 2]" 2
101 1 53 VAL O 1 57 VAL H 1.500 . 2.800 1.619 1.496 1.753 0.004 20 0 "[ . 1 . 2]" 2
102 2 53 VAL O 2 57 VAL H 1.500 . 2.800 1.621 1.493 1.756 0.007 20 0 "[ . 1 . 2]" 2
103 1 53 VAL O 1 57 VAL N 2.400 2.400 3.500 2.582 2.464 2.714 . 0 0 "[ . 1 . 2]" 2
104 2 53 VAL O 2 57 VAL N 2.400 2.400 3.500 2.583 2.463 2.715 . 0 0 "[ . 1 . 2]" 2
105 1 54 VAL O 1 58 MET H 1.500 . 2.800 2.291 2.158 2.425 . 0 0 "[ . 1 . 2]" 2
106 2 54 VAL O 2 58 MET H 1.500 . 2.800 2.291 2.160 2.426 . 0 0 "[ . 1 . 2]" 2
107 1 54 VAL O 1 58 MET N 2.400 2.400 3.500 3.181 3.044 3.329 . 0 0 "[ . 1 . 2]" 2
108 2 54 VAL O 2 58 MET N 2.400 2.400 3.500 3.181 3.045 3.331 . 0 0 "[ . 1 . 2]" 2
109 1 55 ASP O 1 59 GLU H 1.500 . 2.800 2.595 2.245 2.805 0.005 17 0 "[ . 1 . 2]" 2
110 2 55 ASP O 2 59 GLU H 1.500 . 2.800 2.594 2.239 2.806 0.006 17 0 "[ . 1 . 2]" 2
111 1 55 ASP O 1 59 GLU N 2.400 2.400 3.500 3.336 2.979 3.540 0.040 20 0 "[ . 1 . 2]" 2
112 2 55 ASP O 2 59 GLU N 2.400 2.400 3.500 3.335 2.978 3.539 0.039 12 0 "[ . 1 . 2]" 2
113 1 56 LYS O 1 60 THR H 1.500 . 2.800 2.297 2.076 2.492 . 0 0 "[ . 1 . 2]" 2
114 2 56 LYS O 2 60 THR H 1.500 . 2.800 2.297 2.075 2.488 . 0 0 "[ . 1 . 2]" 2
115 1 56 LYS O 1 60 THR N 2.400 2.400 3.500 3.130 2.898 3.310 . 0 0 "[ . 1 . 2]" 2
116 2 56 LYS O 2 60 THR N 2.400 2.400 3.500 3.130 2.900 3.308 . 0 0 "[ . 1 . 2]" 2
117 1 57 VAL O 1 61 LEU H 1.500 . 2.800 1.885 1.768 1.999 . 0 0 "[ . 1 . 2]" 2
118 2 57 VAL O 2 61 LEU H 1.500 . 2.800 1.887 1.771 2.003 . 0 0 "[ . 1 . 2]" 2
119 1 57 VAL O 1 61 LEU N 2.400 2.400 3.500 2.779 2.652 2.891 . 0 0 "[ . 1 . 2]" 2
120 2 57 VAL O 2 61 LEU N 2.400 2.400 3.500 2.780 2.651 2.893 . 0 0 "[ . 1 . 2]" 2
121 1 58 MET O 1 62 ASP H 1.500 . 2.800 1.621 1.505 1.953 . 0 0 "[ . 1 . 2]" 2
122 2 58 MET O 2 62 ASP H 1.500 . 2.800 1.622 1.506 1.953 . 0 0 "[ . 1 . 2]" 2
123 1 58 MET O 1 62 ASP N 2.400 2.400 3.500 2.472 2.376 2.777 0.024 16 0 "[ . 1 . 2]" 2
124 2 58 MET O 2 62 ASP N 2.400 2.400 3.500 2.473 2.375 2.774 0.025 16 0 "[ . 1 . 2]" 2
125 1 71 PHE O 1 75 MET H 1.500 . 2.800 2.292 1.810 2.435 . 0 0 "[ . 1 . 2]" 2
126 2 71 PHE O 2 75 MET H 1.500 . 2.800 2.290 1.808 2.434 . 0 0 "[ . 1 . 2]" 2
127 1 71 PHE O 1 75 MET N 2.400 2.400 3.500 3.227 2.787 3.374 . 0 0 "[ . 1 . 2]" 2
128 2 71 PHE O 2 75 MET N 2.400 2.400 3.500 3.226 2.786 3.371 . 0 0 "[ . 1 . 2]" 2
129 1 72 GLN O 1 76 ALA H 1.500 . 2.800 2.757 2.672 2.941 0.141 15 0 "[ . 1 . 2]" 2
130 2 72 GLN O 2 76 ALA H 1.500 . 2.800 2.758 2.663 2.943 0.143 15 0 "[ . 1 . 2]" 2
131 1 72 GLN O 1 76 ALA N 2.400 2.400 3.500 3.623 3.438 3.688 0.188 18 0 "[ . 1 . 2]" 2
132 2 72 GLN O 2 76 ALA N 2.400 2.400 3.500 3.623 3.440 3.691 0.191 18 0 "[ . 1 . 2]" 2
133 1 73 GLU O 1 77 PHE H 1.500 . 2.800 2.376 2.188 2.549 . 0 0 "[ . 1 . 2]" 2
134 2 73 GLU O 2 77 PHE H 1.500 . 2.800 2.375 2.175 2.551 . 0 0 "[ . 1 . 2]" 2
135 1 73 GLU O 1 77 PHE N 2.400 2.400 3.500 3.038 2.884 3.243 . 0 0 "[ . 1 . 2]" 2
136 2 73 GLU O 2 77 PHE N 2.400 2.400 3.500 3.037 2.873 3.244 . 0 0 "[ . 1 . 2]" 2
137 1 74 PHE O 1 78 VAL H 1.500 . 2.800 2.658 2.554 2.726 . 0 0 "[ . 1 . 2]" 2
138 2 74 PHE O 2 78 VAL H 1.500 . 2.800 2.658 2.555 2.722 . 0 0 "[ . 1 . 2]" 2
139 1 74 PHE O 1 78 VAL N 2.400 2.400 3.500 3.558 3.493 3.626 0.126 3 0 "[ . 1 . 2]" 2
140 2 74 PHE O 2 78 VAL N 2.400 2.400 3.500 3.558 3.494 3.622 0.122 3 0 "[ . 1 . 2]" 2
141 1 75 MET O 1 79 SER H 1.500 . 2.800 2.193 2.042 2.632 . 0 0 "[ . 1 . 2]" 2
142 2 75 MET O 2 79 SER H 1.500 . 2.800 2.194 2.047 2.631 . 0 0 "[ . 1 . 2]" 2
143 1 75 MET O 1 79 SER N 2.400 2.400 3.500 3.119 2.972 3.498 . 0 0 "[ . 1 . 2]" 2
144 2 75 MET O 2 79 SER N 2.400 2.400 3.500 3.120 2.976 3.496 . 0 0 "[ . 1 . 2]" 2
145 1 76 ALA O 1 80 MET H 1.500 . 2.800 2.350 2.198 2.462 . 0 0 "[ . 1 . 2]" 2
146 2 76 ALA O 2 80 MET H 1.500 . 2.800 2.348 2.197 2.460 . 0 0 "[ . 1 . 2]" 2
147 1 76 ALA O 1 80 MET N 2.400 2.400 3.500 3.099 2.949 3.276 . 0 0 "[ . 1 . 2]" 2
148 2 76 ALA O 2 80 MET N 2.400 2.400 3.500 3.099 2.952 3.274 . 0 0 "[ . 1 . 2]" 2
149 1 77 PHE O 1 81 VAL H 1.500 . 2.800 2.185 2.042 2.374 . 0 0 "[ . 1 . 2]" 2
150 2 77 PHE O 2 81 VAL H 1.500 . 2.800 2.186 2.041 2.371 . 0 0 "[ . 1 . 2]" 2
151 1 77 PHE O 1 81 VAL N 2.400 2.400 3.500 3.009 2.797 3.194 . 0 0 "[ . 1 . 2]" 2
152 2 77 PHE O 2 81 VAL N 2.400 2.400 3.500 3.011 2.798 3.193 . 0 0 "[ . 1 . 2]" 2
153 1 78 VAL O 1 82 THR H 1.500 . 2.800 1.634 1.529 1.887 . 0 0 "[ . 1 . 2]" 2
154 2 78 VAL O 2 82 THR H 1.500 . 2.800 1.635 1.529 1.882 . 0 0 "[ . 1 . 2]" 2
155 1 78 VAL O 1 82 THR N 2.400 2.400 3.500 2.525 2.424 2.744 . 0 0 "[ . 1 . 2]" 2
156 2 78 VAL O 2 82 THR N 2.400 2.400 3.500 2.525 2.425 2.741 . 0 0 "[ . 1 . 2]" 2
157 1 79 SER O 1 83 THR H 1.500 . 2.800 1.751 1.578 1.861 . 0 0 "[ . 1 . 2]" 2
158 2 79 SER O 2 83 THR H 1.500 . 2.800 1.751 1.585 1.858 . 0 0 "[ . 1 . 2]" 2
159 1 79 SER O 1 83 THR N 2.400 2.400 3.500 2.645 2.507 2.737 . 0 0 "[ . 1 . 2]" 2
160 2 79 SER O 2 83 THR N 2.400 2.400 3.500 2.645 2.511 2.738 . 0 0 "[ . 1 . 2]" 2
161 1 80 MET O 1 84 ALA H 1.500 . 2.800 2.536 2.296 2.639 . 0 0 "[ . 1 . 2]" 2
162 2 80 MET O 2 84 ALA H 1.500 . 2.800 2.535 2.299 2.629 . 0 0 "[ . 1 . 2]" 2
163 1 80 MET O 1 84 ALA N 2.400 2.400 3.500 3.438 3.205 3.548 0.048 19 0 "[ . 1 . 2]" 2
164 2 80 MET O 2 84 ALA N 2.400 2.400 3.500 3.436 3.206 3.534 0.034 20 0 "[ . 1 . 2]" 2
165 1 81 VAL O 1 85 CYS H 1.500 . 2.800 2.400 2.129 2.607 . 0 0 "[ . 1 . 2]" 2
166 2 81 VAL O 2 85 CYS H 1.500 . 2.800 2.401 2.115 2.623 . 0 0 "[ . 1 . 2]" 2
167 1 81 VAL O 1 85 CYS N 2.400 2.400 3.500 3.322 3.100 3.479 . 0 0 "[ . 1 . 2]" 2
168 2 81 VAL O 2 85 CYS N 2.400 2.400 3.500 3.323 3.088 3.475 . 0 0 "[ . 1 . 2]" 2
169 1 82 THR O 1 86 HIS H 1.500 . 2.800 2.472 2.011 2.815 0.015 18 0 "[ . 1 . 2]" 2
170 2 82 THR O 2 86 HIS H 1.500 . 2.800 2.474 2.010 2.814 0.014 18 0 "[ . 1 . 2]" 2
171 1 82 THR O 1 86 HIS N 2.400 2.400 3.500 3.113 2.890 3.363 . 0 0 "[ . 1 . 2]" 2
172 2 82 THR O 2 86 HIS N 2.400 2.400 3.500 3.113 2.890 3.362 . 0 0 "[ . 1 . 2]" 2
173 1 83 THR O 1 87 GLU H 1.500 . 2.800 1.730 1.481 2.091 0.019 17 0 "[ . 1 . 2]" 2
174 2 83 THR O 2 87 GLU H 1.500 . 2.800 1.730 1.476 2.088 0.024 17 0 "[ . 1 . 2]" 2
175 1 83 THR O 1 87 GLU N 2.400 2.400 3.500 2.637 2.425 2.853 . 0 0 "[ . 1 . 2]" 2
176 2 83 THR O 2 87 GLU N 2.400 2.400 3.500 2.636 2.420 2.849 . 0 0 "[ . 1 . 2]" 2
177 1 84 ALA O 1 88 PHE H 1.500 . 2.800 2.015 1.713 2.454 . 0 0 "[ . 1 . 2]" 2
178 2 84 ALA O 2 88 PHE H 1.500 . 2.800 2.013 1.713 2.456 . 0 0 "[ . 1 . 2]" 2
179 1 84 ALA O 1 88 PHE N 2.400 2.400 3.500 2.933 2.635 3.302 . 0 0 "[ . 1 . 2]" 2
180 2 84 ALA O 2 88 PHE N 2.400 2.400 3.500 2.933 2.634 3.303 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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