NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
538031 |
2lkp   |
18003 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lkp
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 926
_Distance_constraint_stats_list.Viol_count 1684
_Distance_constraint_stats_list.Viol_total 4838.869
_Distance_constraint_stats_list.Viol_max 0.496
_Distance_constraint_stats_list.Viol_rms 0.0551
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0145
_Distance_constraint_stats_list.Viol_average_violations_only 0.1512
_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 3 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 4 VAL 1.328 0.229 4 0 "[ . 1 . ]"
1 5 GLU 1.328 0.229 4 0 "[ . 1 . ]"
1 7 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 9 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 10 PRO 0.150 0.150 11 0 "[ . 1 . ]"
1 11 SER 0.779 0.227 6 0 "[ . 1 . ]"
1 12 ALA 0.629 0.227 6 0 "[ . 1 . ]"
1 13 PRO 2.778 0.271 17 0 "[ . 1 . ]"
1 14 LEU 3.601 0.385 17 0 "[ . 1 . ]"
1 15 ASP 2.003 0.148 13 0 "[ . 1 . ]"
1 16 SER 1.031 0.100 2 0 "[ . 1 . ]"
1 17 GLN 2.031 0.281 13 0 "[ . 1 . ]"
1 18 ALA 1.722 0.179 2 0 "[ . 1 . ]"
1 19 ALA 5.860 0.496 13 0 "[ . 1 . ]"
1 20 ALA 4.182 0.461 2 0 "[ . 1 . ]"
1 21 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 23 ALA 6.177 0.371 7 0 "[ . 1 . ]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 25 THR 1.719 0.356 12 0 "[ . 1 . ]"
1 26 LEU 3.864 0.357 4 0 "[ . 1 . ]"
1 27 GLN 3.184 0.266 2 0 "[ . 1 . ]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 29 LEU 2.463 0.176 7 0 "[ . 1 . ]"
1 30 ALA 15.028 0.422 6 0 "[ . 1 . ]"
1 31 THR 0.966 0.264 2 0 "[ . 1 . ]"
1 32 PRO 0.208 0.090 11 0 "[ . 1 . ]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 35 LEU 2.013 0.228 5 0 "[ . 1 . ]"
1 36 MET 9.719 0.469 13 0 "[ . 1 . ]"
1 37 ILE 5.400 0.299 17 0 "[ . 1 . ]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 39 THR 0.134 0.073 18 0 "[ . 1 . ]"
1 40 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 41 LEU 7.752 0.451 6 0 "[ . 1 . ]"
1 42 ARG 1.148 0.221 7 0 "[ . 1 . ]"
1 43 ASN 0.040 0.038 13 0 "[ . 1 . ]"
1 44 GLY 0.040 0.038 13 0 "[ . 1 . ]"
1 46 LEU 3.402 0.451 6 0 "[ . 1 . ]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 48 VAL 3.533 0.411 17 0 "[ . 1 . ]"
1 49 THR 3.695 0.451 6 0 "[ . 1 . ]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 51 LEU 0.023 0.023 11 0 "[ . 1 . ]"
1 52 ALA 5.169 0.433 1 0 "[ . 1 . ]"
1 53 GLU 0.556 0.241 15 0 "[ . 1 . ]"
1 54 ALA 0.023 0.023 11 0 "[ . 1 . ]"
1 55 ILE 3.775 0.299 17 0 "[ . 1 . ]"
1 56 GLY 2.469 0.271 19 0 "[ . 1 . ]"
1 57 MET 7.785 0.449 6 0 "[ . 1 . ]"
1 58 GLU 2.421 0.449 6 0 "[ . 1 . ]"
1 59 GLN 13.204 0.471 6 0 "[ . 1 . ]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 61 ALA 0.086 0.033 10 0 "[ . 1 . ]"
1 62 VAL 6.993 0.471 6 0 "[ . 1 . ]"
1 63 SER 2.594 0.411 17 0 "[ . 1 . ]"
1 64 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 66 LEU 0.582 0.161 13 0 "[ . 1 . ]"
1 67 ARG 0.970 0.388 7 0 "[ . 1 . ]"
1 68 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 69 LEU 0.448 0.210 4 0 "[ . 1 . ]"
1 70 ARG 0.903 0.319 4 0 "[ . 1 . ]"
1 71 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 72 LEU 0.329 0.325 5 0 "[ . 1 . ]"
1 73 GLY 0.382 0.319 4 0 "[ . 1 . ]"
1 74 LEU 0.351 0.248 1 0 "[ . 1 . ]"
1 75 VAL 7.401 0.294 4 0 "[ . 1 . ]"
1 76 VAL 9.246 0.489 6 0 "[ . 1 . ]"
1 77 GLY 0.660 0.124 9 0 "[ . 1 . ]"
1 78 ASP 1.005 0.290 19 0 "[ . 1 . ]"
1 79 ARG 1.280 0.415 17 0 "[ . 1 . ]"
1 80 ALA 5.474 0.429 9 0 "[ . 1 . ]"
1 81 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 82 ARG 0.204 0.085 1 0 "[ . 1 . ]"
1 83 SER 4.670 0.334 13 0 "[ . 1 . ]"
1 84 ILE 7.576 0.429 9 0 "[ . 1 . ]"
1 85 VAL 1.797 0.435 6 0 "[ . 1 . ]"
1 86 TYR 0.683 0.099 2 0 "[ . 1 . ]"
1 87 SER 8.922 0.489 6 0 "[ . 1 . ]"
1 88 LEU 8.087 0.417 1 0 "[ . 1 . ]"
1 89 TYR 6.218 0.359 18 0 "[ . 1 . ]"
1 93 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 95 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 96 LEU 8.280 0.473 11 0 "[ . 1 . ]"
1 97 LEU 4.503 0.408 15 0 "[ . 1 . ]"
1 98 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 99 GLU 1.948 0.325 12 0 "[ . 1 . ]"
1 100 ALA 6.053 0.476 11 0 "[ . 1 . ]"
1 101 ILE 6.088 0.408 15 0 "[ . 1 . ]"
1 102 TYR 1.017 0.395 17 0 "[ . 1 . ]"
1 103 HIS 0.009 0.009 13 0 "[ . 1 . ]"
1 104 SER 0.009 0.009 13 0 "[ . 1 . ]"
1 105 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 106 HIS 1.516 0.185 3 0 "[ . 1 . ]"
1 107 LEU 3.366 0.291 12 0 "[ . 1 . ]"
1 108 HIS 1.459 0.291 12 0 "[ . 1 . ]"
1 109 LEU 1.135 0.359 16 0 "[ . 1 . ]"
1 110 GLY 0.486 0.327 4 0 "[ . 1 . ]"
1 111 LEU 0.501 0.255 19 0 "[ . 1 . ]"
1 112 SER 0.501 0.255 19 0 "[ . 1 . ]"
1 113 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 114 ARG 0.398 0.161 2 0 "[ . 1 . ]"
1 115 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 116 PRO 0.008 0.008 19 0 "[ . 1 . ]"
1 117 SER 0.008 0.008 19 0 "[ . 1 . ]"
2 3 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 4 VAL 1.370 0.228 4 0 "[ . 1 . ]"
2 5 GLU 1.370 0.228 4 0 "[ . 1 . ]"
2 7 ARG 0.000 0.000 . 0 "[ . 1 . ]"
2 8 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 9 ARG 0.000 0.000 . 0 "[ . 1 . ]"
2 10 PRO 0.170 0.170 11 0 "[ . 1 . ]"
2 11 SER 0.790 0.220 6 0 "[ . 1 . ]"
2 12 ALA 0.620 0.220 6 0 "[ . 1 . ]"
2 13 PRO 2.769 0.275 17 0 "[ . 1 . ]"
2 14 LEU 3.561 0.383 17 0 "[ . 1 . ]"
2 15 ASP 1.803 0.122 13 0 "[ . 1 . ]"
2 16 SER 1.037 0.098 17 0 "[ . 1 . ]"
2 17 GLN 2.149 0.281 13 0 "[ . 1 . ]"
2 18 ALA 1.682 0.149 2 0 "[ . 1 . ]"
2 19 ALA 5.593 0.469 13 0 "[ . 1 . ]"
2 20 ALA 4.126 0.457 2 0 "[ . 1 . ]"
2 21 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 22 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 23 ALA 6.152 0.388 7 0 "[ . 1 . ]"
2 24 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 25 THR 1.739 0.356 12 0 "[ . 1 . ]"
2 26 LEU 4.003 0.376 4 0 "[ . 1 . ]"
2 27 GLN 3.086 0.264 2 0 "[ . 1 . ]"
2 28 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 29 LEU 2.450 0.175 7 0 "[ . 1 . ]"
2 30 ALA 14.934 0.422 6 0 "[ . 1 . ]"
2 31 THR 0.928 0.266 2 0 "[ . 1 . ]"
2 32 PRO 0.206 0.076 11 0 "[ . 1 . ]"
2 33 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 34 ARG 0.000 0.000 . 0 "[ . 1 . ]"
2 35 LEU 2.136 0.225 15 0 "[ . 1 . ]"
2 36 MET 10.042 0.496 13 0 "[ . 1 . ]"
2 37 ILE 5.577 0.306 15 0 "[ . 1 . ]"
2 38 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 39 THR 0.061 0.053 15 0 "[ . 1 . ]"
2 40 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 41 LEU 7.841 0.471 6 0 "[ . 1 . ]"
2 42 ARG 1.208 0.229 9 0 "[ . 1 . ]"
2 43 ASN 0.081 0.050 19 0 "[ . 1 . ]"
2 44 GLY 0.111 0.050 19 0 "[ . 1 . ]"
2 46 LEU 3.509 0.471 6 0 "[ . 1 . ]"
2 47 PRO 0.000 0.000 . 0 "[ . 1 . ]"
2 48 VAL 3.571 0.274 17 0 "[ . 1 . ]"
2 49 THR 3.997 0.456 6 0 "[ . 1 . ]"
2 50 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 51 LEU 0.016 0.016 11 0 "[ . 1 . ]"
2 52 ALA 4.969 0.405 12 0 "[ . 1 . ]"
2 53 GLU 0.529 0.198 15 0 "[ . 1 . ]"
2 54 ALA 0.016 0.016 11 0 "[ . 1 . ]"
2 55 ILE 3.875 0.306 15 0 "[ . 1 . ]"
2 56 GLY 2.404 0.262 19 0 "[ . 1 . ]"
2 57 MET 7.684 0.451 7 0 "[ . 1 . ]"
2 58 GLU 2.435 0.430 6 0 "[ . 1 . ]"
2 59 GLN 13.182 0.484 7 0 "[ . 1 . ]"
2 60 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 61 ALA 0.085 0.041 10 0 "[ . 1 . ]"
2 62 VAL 7.060 0.484 7 0 "[ . 1 . ]"
2 63 SER 2.372 0.274 17 0 "[ . 1 . ]"
2 64 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 65 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 66 LEU 0.570 0.148 13 0 "[ . 1 . ]"
2 67 ARG 0.959 0.389 7 0 "[ . 1 . ]"
2 68 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 69 LEU 0.411 0.220 4 0 "[ . 1 . ]"
2 70 ARG 0.833 0.264 4 0 "[ . 1 . ]"
2 71 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 72 LEU 0.333 0.333 5 0 "[ . 1 . ]"
2 73 GLY 0.345 0.264 4 0 "[ . 1 . ]"
2 74 LEU 0.330 0.247 1 0 "[ . 1 . ]"
2 75 VAL 7.578 0.314 4 0 "[ . 1 . ]"
2 76 VAL 8.705 0.410 6 0 "[ . 1 . ]"
2 77 GLY 1.810 0.267 9 0 "[ . 1 . ]"
2 78 ASP 0.913 0.312 19 0 "[ . 1 . ]"
2 79 ARG 1.454 0.410 17 0 "[ . 1 . ]"
2 80 ALA 6.155 0.410 17 0 "[ . 1 . ]"
2 81 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 82 ARG 0.148 0.098 8 0 "[ . 1 . ]"
2 83 SER 4.409 0.256 6 0 "[ . 1 . ]"
2 84 ILE 7.550 0.405 9 0 "[ . 1 . ]"
2 85 VAL 1.821 0.426 6 0 "[ . 1 . ]"
2 86 TYR 0.686 0.109 15 0 "[ . 1 . ]"
2 87 SER 7.117 0.457 1 0 "[ . 1 . ]"
2 88 LEU 8.145 0.425 1 0 "[ . 1 . ]"
2 89 TYR 6.626 0.394 18 0 "[ . 1 . ]"
2 93 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 94 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 95 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 96 LEU 8.001 0.476 11 0 "[ . 1 . ]"
2 97 LEU 4.404 0.400 15 0 "[ . 1 . ]"
2 98 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 99 GLU 2.077 0.355 12 0 "[ . 1 . ]"
2 100 ALA 6.202 0.473 11 0 "[ . 1 . ]"
2 101 ILE 6.082 0.400 15 0 "[ . 1 . ]"
2 102 TYR 1.023 0.396 17 0 "[ . 1 . ]"
2 103 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 104 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 105 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 106 HIS 1.171 0.178 3 0 "[ . 1 . ]"
2 107 LEU 2.947 0.428 7 0 "[ . 1 . ]"
2 108 HIS 1.284 0.308 12 0 "[ . 1 . ]"
2 109 LEU 1.133 0.360 16 0 "[ . 1 . ]"
2 110 GLY 0.490 0.329 4 0 "[ . 1 . ]"
2 111 LEU 0.498 0.245 19 0 "[ . 1 . ]"
2 112 SER 0.498 0.245 19 0 "[ . 1 . ]"
2 113 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 114 ARG 0.393 0.158 2 0 "[ . 1 . ]"
2 115 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 116 PRO 0.001 0.001 19 0 "[ . 1 . ]"
2 117 SER 0.001 0.001 19 0 "[ . 1 . ]"
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 19 ALA H 2 36 MET H 5.500 . 5.500 5.808 5.657 5.996 0.496 13 0 "[ . 1 . ]" 1
2 1 20 ALA H 2 36 MET H 5.500 . 5.500 5.720 5.533 5.961 0.461 2 0 "[ . 1 . ]" 1
3 1 22 VAL MG1 2 101 ILE H 6.000 . 6.000 4.491 3.950 5.229 . 0 0 "[ . 1 . ]" 1
4 1 22 VAL MG1 2 101 ILE MD 5.000 . 5.000 3.087 2.110 4.971 . 0 0 "[ . 1 . ]" 1
5 1 22 VAL MG2 2 101 ILE MD 5.000 . 5.000 2.281 2.007 3.327 . 0 0 "[ . 1 . ]" 1
6 1 23 ALA H 2 30 ALA MB 5.000 . 5.000 5.201 4.982 5.371 0.371 7 0 "[ . 1 . ]" 1
7 1 23 ALA H 2 32 PRO QD 5.500 . 5.500 5.329 5.100 5.576 0.076 11 0 "[ . 1 . ]" 1
8 1 23 ALA H 2 35 LEU QB 5.000 . 5.000 3.928 3.539 4.415 . 0 0 "[ . 1 . ]" 1
9 1 23 ALA H 2 35 LEU MD1 4.000 . 4.000 3.043 2.183 4.213 0.213 5 0 "[ . 1 . ]" 1
10 1 23 ALA H 2 35 LEU HG 5.000 . 5.000 4.082 2.550 5.225 0.225 15 0 "[ . 1 . ]" 1
11 1 24 SER H 2 32 PRO QG 5.000 . 5.000 4.533 4.227 4.770 . 0 0 "[ . 1 . ]" 1
12 1 26 LEU H 2 30 ALA MB 5.000 . 5.000 4.096 3.966 4.216 . 0 0 "[ . 1 . ]" 1
13 1 27 GLN H 2 30 ALA HA 4.500 . 4.500 4.527 4.345 4.697 0.197 6 0 "[ . 1 . ]" 1
14 1 27 GLN H 2 30 ALA MB 3.500 . 3.500 2.944 2.848 3.034 . 0 0 "[ . 1 . ]" 1
15 1 28 ALA H 2 30 ALA MB 5.000 . 5.000 4.760 4.667 4.916 . 0 0 "[ . 1 . ]" 1
16 1 30 ALA H 2 26 LEU QB 4.500 . 4.500 3.399 2.795 3.948 . 0 0 "[ . 1 . ]" 1
17 1 30 ALA H 2 26 LEU MD2 5.000 . 5.000 4.856 4.098 5.376 0.376 4 0 "[ . 1 . ]" 1
18 1 30 ALA H 2 27 GLN HA 5.000 . 5.000 4.853 4.691 4.982 . 0 0 "[ . 1 . ]" 1
19 1 30 ALA H 2 30 ALA MB 5.000 . 5.000 5.155 5.005 5.411 0.411 6 0 "[ . 1 . ]" 1
20 1 31 THR H 2 27 GLN HA 5.000 . 5.000 4.876 4.586 5.264 0.264 2 0 "[ . 1 . ]" 1
21 1 31 THR H 2 27 GLN QB 5.000 . 5.000 3.704 3.241 4.694 . 0 0 "[ . 1 . ]" 1
22 1 96 LEU H 2 99 GLU QB 4.500 . 4.500 4.542 3.787 4.855 0.355 12 0 "[ . 1 . ]" 1
23 1 96 LEU HA 2 100 ALA H 5.000 . 5.000 5.136 4.987 5.286 0.286 12 0 "[ . 1 . ]" 1
24 1 96 LEU QB 2 100 ALA H 4.500 . 4.500 4.622 3.203 4.973 0.473 11 0 "[ . 1 . ]" 1
25 1 96 LEU MD2 2 100 ALA H 4.500 . 4.500 3.681 2.182 4.167 . 0 0 "[ . 1 . ]" 1
26 1 96 LEU QD 2 100 ALA H 3.500 . 3.500 2.485 1.713 3.394 . 0 0 "[ . 1 . ]" 1
27 1 36 MET H 2 19 ALA H 5.500 . 5.500 5.794 5.640 5.969 0.469 13 0 "[ . 1 . ]" 1
28 1 36 MET H 2 20 ALA H 5.500 . 5.500 5.717 5.554 5.957 0.457 2 0 "[ . 1 . ]" 1
29 1 101 ILE H 2 22 VAL MG1 6.000 . 6.000 4.496 3.899 5.272 . 0 0 "[ . 1 . ]" 1
30 1 101 ILE MD 2 22 VAL MG1 5.000 . 5.000 3.098 2.112 4.983 . 0 0 "[ . 1 . ]" 1
31 1 101 ILE MD 2 22 VAL MG2 5.000 . 5.000 2.285 1.997 3.351 . 0 0 "[ . 1 . ]" 1
32 1 30 ALA MB 2 23 ALA H 5.000 . 5.000 5.207 5.037 5.388 0.388 7 0 "[ . 1 . ]" 1
33 1 32 PRO QD 2 23 ALA H 5.500 . 5.500 5.334 5.118 5.590 0.090 11 0 "[ . 1 . ]" 1
34 1 35 LEU QB 2 23 ALA H 5.000 . 5.000 3.924 3.537 4.432 . 0 0 "[ . 1 . ]" 1
35 1 35 LEU MD1 2 23 ALA H 4.000 . 4.000 3.036 2.205 4.228 0.228 5 0 "[ . 1 . ]" 1
36 1 35 LEU HG 2 23 ALA H 5.000 . 5.000 4.072 2.521 5.194 0.194 15 0 "[ . 1 . ]" 1
37 1 32 PRO QG 2 24 SER H 5.000 . 5.000 4.527 4.251 4.739 . 0 0 "[ . 1 . ]" 1
38 1 30 ALA MB 2 26 LEU H 5.000 . 5.000 4.095 4.015 4.197 . 0 0 "[ . 1 . ]" 1
39 1 30 ALA HA 2 27 GLN H 4.500 . 4.500 4.519 4.357 4.719 0.219 6 0 "[ . 1 . ]" 1
40 1 30 ALA MB 2 27 GLN H 3.500 . 3.500 2.937 2.836 3.015 . 0 0 "[ . 1 . ]" 1
41 1 30 ALA MB 2 28 ALA H 5.000 . 5.000 4.757 4.665 4.868 . 0 0 "[ . 1 . ]" 1
42 1 26 LEU QB 2 30 ALA H 4.500 . 4.500 3.404 2.769 3.959 . 0 0 "[ . 1 . ]" 1
43 1 26 LEU MD2 2 30 ALA H 5.000 . 5.000 4.858 4.101 5.357 0.357 4 0 "[ . 1 . ]" 1
44 1 27 GLN HA 2 30 ALA H 5.000 . 5.000 4.854 4.661 4.994 . 0 0 "[ . 1 . ]" 1
45 1 30 ALA MB 2 30 ALA H 5.000 . 5.000 5.156 5.003 5.422 0.422 6 0 "[ . 1 . ]" 1
46 1 27 GLN HA 2 31 THR H 5.000 . 5.000 4.869 4.604 5.266 0.266 2 0 "[ . 1 . ]" 1
47 1 27 GLN QB 2 31 THR H 5.000 . 5.000 3.701 3.239 4.671 . 0 0 "[ . 1 . ]" 1
48 1 99 GLU QB 2 96 LEU H 4.500 . 4.500 4.532 3.766 4.825 0.325 12 0 "[ . 1 . ]" 1
49 1 100 ALA H 2 96 LEU HA 5.000 . 5.000 5.134 4.990 5.299 0.299 12 0 "[ . 1 . ]" 1
50 1 100 ALA H 2 96 LEU QB 4.500 . 4.500 4.614 3.159 4.976 0.476 11 0 "[ . 1 . ]" 1
51 1 100 ALA H 2 96 LEU MD2 4.500 . 4.500 3.661 2.159 4.184 . 0 0 "[ . 1 . ]" 1
52 1 100 ALA H 2 96 LEU QD 3.500 . 3.500 2.473 1.726 3.352 . 0 0 "[ . 1 . ]" 1
53 1 3 GLY H 1 4 VAL H 4.830 . 4.830 3.607 2.403 4.625 . 0 0 "[ . 1 . ]" 1
54 1 4 VAL H 1 5 GLU H 5.190 . 5.190 3.717 2.458 4.562 . 0 0 "[ . 1 . ]" 1
55 1 4 VAL HA 1 5 GLU H 3.300 . 3.300 2.676 2.146 3.529 0.229 4 0 "[ . 1 . ]" 1
56 1 4 VAL HB 1 5 GLU H 4.190 . 4.190 3.508 2.471 4.243 0.053 15 0 "[ . 1 . ]" 1
57 1 5 GLU H 1 5 GLU QB 3.600 . 3.600 2.590 2.321 3.224 . 0 0 "[ . 1 . ]" 1
58 1 5 GLU H 1 5 GLU QG 4.460 . 4.460 2.765 1.932 4.109 . 0 0 "[ . 1 . ]" 1
59 1 7 ARG H 1 7 ARG QG 4.380 . 4.380 2.854 1.886 4.223 . 0 0 "[ . 1 . ]" 1
60 1 7 ARG H 1 8 ASN H 4.920 . 4.920 3.851 2.449 4.613 . 0 0 "[ . 1 . ]" 1
61 1 8 ASN HB2 1 9 ARG H 5.500 . 5.500 3.782 2.353 4.597 . 0 0 "[ . 1 . ]" 1
62 1 8 ASN HB3 1 9 ARG H 5.500 . 5.500 3.624 1.886 4.669 . 0 0 "[ . 1 . ]" 1
63 1 9 ARG H 1 10 PRO QD 4.790 . 4.790 3.001 1.878 4.415 . 0 0 "[ . 1 . ]" 1
64 1 10 PRO HA 1 11 SER H 2.970 . 2.970 2.342 2.179 3.120 0.150 11 0 "[ . 1 . ]" 1
65 1 11 SER H 1 12 ALA MB 5.500 . 5.500 4.334 3.373 5.117 . 0 0 "[ . 1 . ]" 1
66 1 11 SER HA 1 12 ALA H 3.030 . 3.030 2.409 2.145 3.257 0.227 6 0 "[ . 1 . ]" 1
67 1 11 SER QB 1 12 ALA H 3.910 . 3.910 3.380 2.214 4.030 0.120 7 0 "[ . 1 . ]" 1
68 1 12 ALA H 1 12 ALA MB 3.460 . 3.460 2.761 2.100 2.950 . 0 0 "[ . 1 . ]" 1
69 1 13 PRO HD2 1 14 LEU H 5.500 . 5.500 5.116 2.945 5.650 0.150 13 0 "[ . 1 . ]" 1
70 1 13 PRO HD3 1 14 LEU H 5.500 . 5.500 5.387 3.991 5.771 0.271 17 0 "[ . 1 . ]" 1
71 1 13 PRO QG 1 14 LEU H 4.700 . 4.700 4.458 2.469 4.795 0.095 15 0 "[ . 1 . ]" 1
72 1 14 LEU H 1 14 LEU MD1 4.040 . 4.040 3.326 1.804 3.741 . 0 0 "[ . 1 . ]" 1
73 1 14 LEU H 1 14 LEU MD2 . . 4.460 2.880 1.519 3.883 . 0 0 "[ . 1 . ]" 1
74 1 14 LEU H 1 14 LEU HG 3.150 . 3.150 2.237 1.774 3.535 0.385 17 0 "[ . 1 . ]" 1
75 1 14 LEU H 1 14 LEU QB 3.340 . 3.340 2.634 2.392 3.063 . 0 0 "[ . 1 . ]" 1
76 1 15 ASP H 1 15 ASP QB 3.460 . 3.460 2.423 2.192 2.713 . 0 0 "[ . 1 . ]" 1
77 1 15 ASP H 1 16 SER H 5.200 . 5.200 2.691 2.180 3.218 . 0 0 "[ . 1 . ]" 1
78 1 15 ASP HA 1 16 SER H 3.470 . 3.470 3.514 3.418 3.570 0.100 2 0 "[ . 1 . ]" 1
79 1 15 ASP HB2 1 18 ALA H 5.500 . 5.500 5.438 5.074 5.622 0.122 12 0 "[ . 1 . ]" 1
80 1 15 ASP HB3 1 18 ALA H 5.500 . 5.500 5.129 4.024 5.648 0.148 13 0 "[ . 1 . ]" 1
81 1 15 ASP QB 1 16 SER H 4.060 . 4.060 2.604 2.148 3.271 . 0 0 "[ . 1 . ]" 1
82 1 16 SER H 1 16 SER QB 3.020 . 3.020 2.350 2.214 2.487 . 0 0 "[ . 1 . ]" 1
83 1 16 SER H 1 18 ALA H 4.680 . 4.680 4.321 4.157 4.519 . 0 0 "[ . 1 . ]" 1
84 1 16 SER H 1 19 ALA H 5.500 . 5.500 4.828 4.682 5.065 . 0 0 "[ . 1 . ]" 1
85 1 16 SER QB 1 17 GLN H 3.700 . 3.700 2.974 2.305 3.576 . 0 0 "[ . 1 . ]" 1
86 1 17 GLN H 1 17 GLN QB 3.240 . 3.240 2.382 2.218 2.808 . 0 0 "[ . 1 . ]" 1
87 1 17 GLN H 1 17 GLN QE 4.010 . 4.010 3.724 3.132 4.094 0.084 4 0 "[ . 1 . ]" 1
88 1 17 GLN H 1 17 GLN QG 3.760 . 3.760 2.729 1.720 4.041 0.281 13 0 "[ . 1 . ]" 1
89 1 17 GLN H 1 18 ALA H 2.980 . 2.980 2.685 2.630 2.955 . 0 0 "[ . 1 . ]" 1
90 1 17 GLN H 1 19 ALA H 4.990 . 4.990 4.034 3.872 4.703 . 0 0 "[ . 1 . ]" 1
91 1 17 GLN HG2 1 18 ALA H 5.500 . 5.500 4.304 2.043 5.008 . 0 0 "[ . 1 . ]" 1
92 1 17 GLN HG3 1 18 ALA H 5.500 . 5.500 4.242 1.788 5.014 . 0 0 "[ . 1 . ]" 1
93 1 17 GLN QB 1 18 ALA H 3.290 . 3.290 2.526 2.314 3.336 0.046 7 0 "[ . 1 . ]" 1
94 1 17 GLN QB 1 19 ALA H 5.340 . 5.340 4.594 4.417 4.925 . 0 0 "[ . 1 . ]" 1
95 1 17 GLN QE 1 18 ALA H 5.340 . 5.340 5.114 3.908 5.519 0.179 2 0 "[ . 1 . ]" 1
96 1 18 ALA H 1 19 ALA H 3.190 . 3.190 2.744 2.577 3.049 . 0 0 "[ . 1 . ]" 1
97 1 18 ALA H 1 20 ALA H 4.590 . 4.590 4.491 4.421 4.524 . 0 0 "[ . 1 . ]" 1
98 1 19 ALA H 1 20 ALA H 3.480 . 3.480 2.703 2.599 2.805 . 0 0 "[ . 1 . ]" 1
99 1 19 ALA H 1 21 GLN H 5.260 . 5.260 4.077 3.908 4.271 . 0 0 "[ . 1 . ]" 1
100 1 20 ALA H 1 20 ALA MB 3.340 . 3.340 2.204 2.142 2.243 . 0 0 "[ . 1 . ]" 1
101 1 20 ALA H 1 22 VAL H 5.090 . 5.090 4.397 4.326 4.483 . 0 0 "[ . 1 . ]" 1
102 1 20 ALA MB 1 21 GLN H 3.200 . 3.200 2.426 2.296 2.553 . 0 0 "[ . 1 . ]" 1
103 1 21 GLN H 1 21 GLN QG 4.400 . 4.400 3.211 2.187 4.067 . 0 0 "[ . 1 . ]" 1
104 1 21 GLN H 1 22 VAL H 3.300 . 3.300 2.818 2.753 2.872 . 0 0 "[ . 1 . ]" 1
105 1 22 VAL H 1 22 VAL MG2 3.790 . 3.790 2.156 2.070 2.287 . 0 0 "[ . 1 . ]" 1
106 1 22 VAL MG1 1 23 ALA H 5.230 . 5.230 3.311 3.196 3.496 . 0 0 "[ . 1 . ]" 1
107 1 23 ALA H 1 24 SER H 3.150 . 3.150 2.786 2.648 2.910 . 0 0 "[ . 1 . ]" 1
108 1 23 ALA H 1 25 THR H 4.930 . 4.930 4.253 4.181 4.382 . 0 0 "[ . 1 . ]" 1
109 1 23 ALA MB 1 24 SER H 4.230 . 4.230 2.475 2.370 2.570 . 0 0 "[ . 1 . ]" 1
110 1 24 SER H 1 24 SER QB 2.800 . 2.800 2.342 2.219 2.500 . 0 0 "[ . 1 . ]" 1
111 1 24 SER H 1 25 THR H 3.340 . 3.340 2.745 2.702 2.825 . 0 0 "[ . 1 . ]" 1
112 1 24 SER HA 1 27 GLN H 4.970 . 4.970 3.499 3.360 3.650 . 0 0 "[ . 1 . ]" 1
113 1 24 SER QB 1 25 THR H 2.860 . 2.860 2.494 2.336 2.585 . 0 0 "[ . 1 . ]" 1
114 1 25 THR H 1 25 THR HB 3.200 . 3.200 2.854 2.482 3.556 0.356 12 0 "[ . 1 . ]" 1
115 1 25 THR H 1 26 LEU H 3.550 . 3.550 2.742 2.650 2.819 . 0 0 "[ . 1 . ]" 1
116 1 25 THR H 1 26 LEU HB2 5.050 . 5.050 4.774 4.573 4.936 . 0 0 "[ . 1 . ]" 1
117 1 25 THR H 1 27 GLN H 5.240 . 5.240 3.790 3.732 3.856 . 0 0 "[ . 1 . ]" 1
118 1 25 THR MG 1 26 LEU H 5.170 . 5.170 3.445 1.841 3.941 . 0 0 "[ . 1 . ]" 1
119 1 26 LEU H 1 26 LEU HB2 3.220 . 3.220 2.359 2.192 2.489 . 0 0 "[ . 1 . ]" 1
120 1 26 LEU H 1 26 LEU MD2 3.460 . 3.460 3.318 1.887 3.565 0.105 2 0 "[ . 1 . ]" 1
121 1 26 LEU H 1 26 LEU HG 5.000 . 5.000 2.889 2.060 3.934 . 0 0 "[ . 1 . ]" 1
122 1 26 LEU H 1 27 GLN H 3.320 . 3.320 2.565 2.525 2.625 . 0 0 "[ . 1 . ]" 1
123 1 26 LEU H 1 28 ALA H 5.240 . 5.240 4.690 4.534 4.885 . 0 0 "[ . 1 . ]" 1
124 1 26 LEU HB2 1 27 GLN H 3.880 . 3.880 3.090 3.002 3.201 . 0 0 "[ . 1 . ]" 1
125 1 26 LEU HB3 1 27 GLN H 4.220 . 4.220 3.888 3.650 4.023 . 0 0 "[ . 1 . ]" 1
126 1 26 LEU HG 1 27 GLN H 5.060 . 5.060 4.742 4.328 5.320 0.260 4 0 "[ . 1 . ]" 1
127 1 27 GLN H 1 27 GLN QB 3.270 . 3.270 2.280 2.265 2.295 . 0 0 "[ . 1 . ]" 1
128 1 27 GLN H 1 27 GLN QG 4.250 . 4.250 3.963 3.946 4.043 . 0 0 "[ . 1 . ]" 1
129 1 27 GLN H 1 28 ALA H 3.210 . 3.210 2.706 2.625 2.873 . 0 0 "[ . 1 . ]" 1
130 1 27 GLN H 1 29 LEU H 4.610 . 4.610 4.159 4.074 4.276 . 0 0 "[ . 1 . ]" 1
131 1 27 GLN QB 1 28 ALA H 3.390 . 3.390 2.164 1.945 2.292 . 0 0 "[ . 1 . ]" 1
132 1 28 ALA H 1 29 LEU H 3.160 . 3.160 2.889 2.866 2.925 . 0 0 "[ . 1 . ]" 1
133 1 28 ALA H 1 29 LEU QB 5.500 . 5.500 4.582 4.447 4.740 . 0 0 "[ . 1 . ]" 1
134 1 28 ALA HA 1 30 ALA H 5.000 . 5.000 4.069 3.810 4.331 . 0 0 "[ . 1 . ]" 1
135 1 28 ALA MB 1 29 LEU H 4.500 . 4.500 2.234 2.174 2.304 . 0 0 "[ . 1 . ]" 1
136 1 29 LEU H 1 29 LEU MD2 4.560 . 4.560 3.033 1.770 4.263 . 0 0 "[ . 1 . ]" 1
137 1 29 LEU H 1 29 LEU QB 3.410 . 3.410 2.302 2.179 2.485 . 0 0 "[ . 1 . ]" 1
138 1 29 LEU H 1 30 ALA H 2.700 . 2.700 2.830 2.768 2.876 0.176 7 0 "[ . 1 . ]" 1
139 1 29 LEU QB 1 30 ALA H 4.300 . 4.300 2.714 2.510 2.852 . 0 0 "[ . 1 . ]" 1
140 1 30 ALA H 1 31 THR H 4.500 . 4.500 3.979 3.260 4.563 0.063 7 0 "[ . 1 . ]" 1
141 1 30 ALA HA 1 31 THR H 4.000 . 4.000 3.181 2.642 3.558 . 0 0 "[ . 1 . ]" 1
142 1 30 ALA MB 1 31 THR H 3.900 . 3.900 1.798 1.678 2.134 . 0 0 "[ . 1 . ]" 1
143 1 32 PRO QB 1 33 SER H 4.020 . 4.020 2.257 2.025 2.468 . 0 0 "[ . 1 . ]" 1
144 1 33 SER H 1 33 SER QB 3.460 . 3.460 2.397 2.199 2.528 . 0 0 "[ . 1 . ]" 1
145 1 33 SER H 1 34 ARG H 3.680 . 3.680 2.812 2.738 2.983 . 0 0 "[ . 1 . ]" 1
146 1 33 SER HB2 1 34 ARG H 5.500 . 5.500 3.253 2.462 3.968 . 0 0 "[ . 1 . ]" 1
147 1 33 SER HB3 1 34 ARG H 5.500 . 5.500 3.315 2.464 3.875 . 0 0 "[ . 1 . ]" 1
148 1 34 ARG H 1 34 ARG QB 3.620 . 3.620 2.301 2.135 2.452 . 0 0 "[ . 1 . ]" 1
149 1 34 ARG H 1 34 ARG QG 4.440 . 4.440 3.118 2.058 4.057 . 0 0 "[ . 1 . ]" 1
150 1 34 ARG H 1 35 LEU H 3.500 . 3.500 2.685 2.487 2.792 . 0 0 "[ . 1 . ]" 1
151 1 35 LEU H 1 35 LEU QB 3.630 . 3.630 2.165 2.059 2.354 . 0 0 "[ . 1 . ]" 1
152 1 35 LEU H 1 36 MET H 3.090 . 3.090 2.815 2.718 2.881 . 0 0 "[ . 1 . ]" 1
153 1 35 LEU QB 1 38 LEU H 5.340 . 5.340 4.918 4.774 5.091 . 0 0 "[ . 1 . ]" 1
154 1 36 MET H 1 36 MET HB2 3.750 . 3.750 2.527 2.144 3.573 . 0 0 "[ . 1 . ]" 1
155 1 36 MET H 1 36 MET HB3 3.750 . 3.750 2.655 2.530 2.974 . 0 0 "[ . 1 . ]" 1
156 1 36 MET H 1 36 MET QG 4.420 . 4.420 3.720 1.741 4.053 . 0 0 "[ . 1 . ]" 1
157 1 36 MET H 1 37 ILE H 3.180 . 3.180 2.838 2.692 2.919 . 0 0 "[ . 1 . ]" 1
158 1 36 MET QB 1 37 ILE H 4.440 . 4.440 2.472 2.316 3.264 . 0 0 "[ . 1 . ]" 1
159 1 36 MET QB 1 38 LEU H 5.340 . 5.340 4.727 4.620 5.130 . 0 0 "[ . 1 . ]" 1
160 1 37 ILE H 1 37 ILE HB 4.040 . 4.040 2.451 2.395 2.577 . 0 0 "[ . 1 . ]" 1
161 1 37 ILE H 1 37 ILE QG 3.650 . 3.650 2.144 1.944 2.250 . 0 0 "[ . 1 . ]" 1
162 1 37 ILE H 1 38 LEU H 3.790 . 3.790 2.700 2.642 2.772 . 0 0 "[ . 1 . ]" 1
163 1 37 ILE H 1 38 LEU HA 5.500 . 5.500 5.302 5.245 5.368 . 0 0 "[ . 1 . ]" 1
164 1 37 ILE H 1 39 THR H 5.370 . 5.370 4.119 4.058 4.193 . 0 0 "[ . 1 . ]" 1
165 1 37 ILE HB 1 38 LEU H 3.330 . 3.330 2.535 2.445 2.607 . 0 0 "[ . 1 . ]" 1
166 1 38 LEU H 1 38 LEU QB 3.190 . 3.190 2.234 2.126 2.343 . 0 0 "[ . 1 . ]" 1
167 1 38 LEU H 1 39 THR H 3.830 . 3.830 2.671 2.599 2.703 . 0 0 "[ . 1 . ]" 1
168 1 38 LEU HA 1 41 LEU H 5.500 . 5.500 3.405 3.259 3.570 . 0 0 "[ . 1 . ]" 1
169 1 38 LEU HB2 1 39 THR H 5.270 . 5.270 3.123 2.638 3.919 . 0 0 "[ . 1 . ]" 1
170 1 38 LEU HB3 1 39 THR H 5.270 . 5.270 3.124 2.531 3.589 . 0 0 "[ . 1 . ]" 1
171 1 39 THR H 1 39 THR HB 4.010 . 4.010 2.889 2.486 3.584 . 0 0 "[ . 1 . ]" 1
172 1 39 THR H 1 39 THR MG 4.540 . 4.540 3.344 2.207 3.746 . 0 0 "[ . 1 . ]" 1
173 1 39 THR H 1 40 GLN H 3.470 . 3.470 2.685 2.622 2.762 . 0 0 "[ . 1 . ]" 1
174 1 39 THR H 1 41 LEU H 5.500 . 5.500 4.277 4.196 4.400 . 0 0 "[ . 1 . ]" 1
175 1 39 THR MG 1 40 GLN H 5.200 . 5.200 3.725 3.433 4.029 . 0 0 "[ . 1 . ]" 1
176 1 40 GLN H 1 40 GLN QB 3.430 . 3.430 2.283 2.090 2.436 . 0 0 "[ . 1 . ]" 1
177 1 40 GLN HB2 1 41 LEU H 4.500 . 4.500 2.998 2.435 3.988 . 0 0 "[ . 1 . ]" 1
178 1 40 GLN HB3 1 41 LEU H 4.500 . 4.500 3.079 2.325 3.554 . 0 0 "[ . 1 . ]" 1
179 1 40 GLN QB 1 41 LEU H 3.890 . 3.890 2.492 2.300 3.257 . 0 0 "[ . 1 . ]" 1
180 1 41 LEU H 1 41 LEU QB 3.070 . 3.070 2.263 2.150 2.407 . 0 0 "[ . 1 . ]" 1
181 1 41 LEU HA 1 43 ASN H 5.000 . 5.000 3.900 3.457 4.351 . 0 0 "[ . 1 . ]" 1
182 1 41 LEU HA 1 44 GLY H 3.880 . 3.880 3.453 3.063 3.858 . 0 0 "[ . 1 . ]" 1
183 1 42 ARG H 1 42 ARG QB 3.390 . 3.390 2.250 2.108 2.345 . 0 0 "[ . 1 . ]" 1
184 1 42 ARG QB 1 43 ASN H 3.510 . 3.510 2.717 2.416 3.095 . 0 0 "[ . 1 . ]" 1
185 1 43 ASN H 1 43 ASN QB 3.110 . 3.110 2.365 2.244 2.717 . 0 0 "[ . 1 . ]" 1
186 1 43 ASN H 1 44 GLY H 3.100 . 3.100 2.803 2.658 3.138 0.038 13 0 "[ . 1 . ]" 1
187 1 43 ASN QB 1 44 GLY H 4.310 . 4.310 2.664 1.799 4.033 . 0 0 "[ . 1 . ]" 1
188 1 46 LEU H 1 47 PRO QD 5.350 . 5.350 3.560 2.490 4.308 . 0 0 "[ . 1 . ]" 1
189 1 46 LEU H 1 86 TYR H . . 4.000 3.677 2.845 4.090 0.090 9 0 "[ . 1 . ]" 1
190 1 46 LEU H 1 86 TYR QB 5.320 . 5.320 4.614 4.043 5.236 . 0 0 "[ . 1 . ]" 1
191 1 46 LEU MD1 1 86 TYR H 5.500 . 5.500 4.716 2.977 5.520 0.020 6 0 "[ . 1 . ]" 1
192 1 47 PRO QB 1 48 VAL H 3.850 . 3.850 2.652 2.125 3.849 . 0 0 "[ . 1 . ]" 1
193 1 47 PRO QG 1 48 VAL H 5.000 . 5.000 4.314 3.864 4.923 . 0 0 "[ . 1 . ]" 1
194 1 48 VAL H 1 48 VAL HB 3.880 . 3.880 2.933 2.370 3.596 . 0 0 "[ . 1 . ]" 1
195 1 48 VAL H 1 48 VAL MG2 3.640 . 3.640 2.143 1.831 2.421 . 0 0 "[ . 1 . ]" 1
196 1 48 VAL H 1 49 THR H 4.570 . 4.570 2.726 2.558 2.893 . 0 0 "[ . 1 . ]" 1
197 1 48 VAL HB 1 49 THR H 3.610 . 3.610 2.960 2.033 3.869 0.259 14 0 "[ . 1 . ]" 1
198 1 48 VAL MG1 1 49 THR H 3.910 . 3.910 3.338 2.960 3.622 . 0 0 "[ . 1 . ]" 1
199 1 49 THR H 1 49 THR HB 3.750 . 3.750 3.036 2.560 3.665 . 0 0 "[ . 1 . ]" 1
200 1 49 THR H 1 49 THR MG 4.570 . 4.570 2.893 1.732 3.791 . 0 0 "[ . 1 . ]" 1
201 1 49 THR H 1 50 ASP H 3.610 . 3.610 2.813 2.609 3.135 . 0 0 "[ . 1 . ]" 1
202 1 49 THR H 1 52 ALA H 5.500 . 5.500 4.721 4.502 4.863 . 0 0 "[ . 1 . ]" 1
203 1 49 THR H 1 52 ALA MB 5.500 . 5.500 4.767 4.361 5.011 . 0 0 "[ . 1 . ]" 1
204 1 49 THR HB 1 50 ASP H 4.330 . 4.330 3.053 1.985 4.083 . 0 0 "[ . 1 . ]" 1
205 1 49 THR MG 1 50 ASP H 5.500 . 5.500 3.322 1.683 3.908 . 0 0 "[ . 1 . ]" 1
206 1 50 ASP H 1 50 ASP QB 3.400 . 3.400 2.241 2.060 2.413 . 0 0 "[ . 1 . ]" 1
207 1 50 ASP H 1 51 LEU H 3.410 . 3.410 2.639 2.488 2.958 . 0 0 "[ . 1 . ]" 1
208 1 50 ASP H 1 51 LEU QB 5.310 . 5.310 4.390 4.220 4.855 . 0 0 "[ . 1 . ]" 1
209 1 50 ASP H 1 52 ALA H 5.500 . 5.500 4.151 3.957 4.407 . 0 0 "[ . 1 . ]" 1
210 1 50 ASP QB 1 51 LEU H 4.360 . 4.360 2.615 2.507 2.783 . 0 0 "[ . 1 . ]" 1
211 1 51 LEU H 1 51 LEU QB 3.250 . 3.250 2.199 2.123 2.352 . 0 0 "[ . 1 . ]" 1
212 1 51 LEU H 1 52 ALA H 3.520 . 3.520 2.687 2.623 2.786 . 0 0 "[ . 1 . ]" 1
213 1 51 LEU MD2 1 54 ALA H 4.870 . 4.870 4.442 3.722 4.893 0.023 11 0 "[ . 1 . ]" 1
214 1 51 LEU MD2 1 55 ILE H 4.860 . 4.860 3.885 2.709 4.730 . 0 0 "[ . 1 . ]" 1
215 1 51 LEU QB 1 52 ALA H 4.100 . 4.100 2.577 2.422 2.758 . 0 0 "[ . 1 . ]" 1
216 1 51 LEU QB 1 54 ALA H 5.340 . 5.340 4.964 4.681 5.146 . 0 0 "[ . 1 . ]" 1
217 1 52 ALA H 1 52 ALA MB 3.620 . 3.620 2.201 2.156 2.226 . 0 0 "[ . 1 . ]" 1
218 1 52 ALA H 1 53 GLU H 3.420 . 3.420 2.710 2.592 2.857 . 0 0 "[ . 1 . ]" 1
219 1 52 ALA H 1 54 ALA H 4.800 . 4.800 4.162 3.894 4.363 . 0 0 "[ . 1 . ]" 1
220 1 52 ALA H 1 55 ILE H 5.500 . 5.500 4.864 4.580 5.410 . 0 0 "[ . 1 . ]" 1
221 1 52 ALA HA 1 55 ILE H 4.340 . 4.340 3.562 3.067 4.016 . 0 0 "[ . 1 . ]" 1
222 1 52 ALA HA 1 56 GLY H 2.770 . 2.770 2.762 2.247 3.041 0.271 19 0 "[ . 1 . ]" 1
223 1 52 ALA HA 1 57 MET H 3.580 . 3.580 2.746 1.825 3.597 0.017 8 0 "[ . 1 . ]" 1
224 1 52 ALA MB 1 56 GLY H 4.690 . 4.690 3.901 3.437 4.373 . 0 0 "[ . 1 . ]" 1
225 1 52 ALA MB 1 57 MET H 3.750 . 3.750 2.300 1.881 2.865 . 0 0 "[ . 1 . ]" 1
226 1 52 ALA MB 1 59 GLN H . . 3.800 3.279 2.113 3.942 0.142 6 0 "[ . 1 . ]" 1
227 1 52 ALA MB 1 53 GLU H 4.030 . 4.030 2.406 2.282 2.534 . 0 0 "[ . 1 . ]" 1
228 1 53 GLU H 1 53 GLU QB 3.080 . 3.080 2.312 2.239 2.481 . 0 0 "[ . 1 . ]" 1
229 1 53 GLU H 1 53 GLU QG 4.490 . 4.490 3.278 1.991 4.067 . 0 0 "[ . 1 . ]" 1
230 1 53 GLU H 1 54 ALA H 3.210 . 3.210 2.766 2.560 2.872 . 0 0 "[ . 1 . ]" 1
231 1 53 GLU HA 1 56 GLY H 5.160 . 5.160 4.922 4.279 5.401 0.241 15 0 "[ . 1 . ]" 1
232 1 53 GLU HA 1 57 MET H 5.440 . 5.440 4.548 3.608 5.172 . 0 0 "[ . 1 . ]" 1
233 1 53 GLU QB 1 54 ALA H 3.330 . 3.330 2.522 2.328 2.828 . 0 0 "[ . 1 . ]" 1
234 1 54 ALA H 1 55 ILE H 3.390 . 3.390 2.789 2.520 3.032 . 0 0 "[ . 1 . ]" 1
235 1 54 ALA H 1 56 GLY H 5.380 . 5.380 4.736 3.820 5.246 . 0 0 "[ . 1 . ]" 1
236 1 55 ILE H 1 55 ILE HB 3.980 . 3.980 2.811 2.389 3.935 . 0 0 "[ . 1 . ]" 1
237 1 55 ILE H 1 55 ILE QG 4.500 . 4.500 2.801 2.202 4.195 . 0 0 "[ . 1 . ]" 1
238 1 55 ILE H 1 56 GLY H 3.020 . 3.020 2.663 1.540 3.237 0.217 3 0 "[ . 1 . ]" 1
239 1 55 ILE HB 1 56 GLY H 4.830 . 4.830 2.717 1.897 4.603 . 0 0 "[ . 1 . ]" 1
240 1 55 ILE QG 1 56 GLY H 4.770 . 4.770 3.698 2.404 3.949 . 0 0 "[ . 1 . ]" 1
241 1 56 GLY H 1 58 GLU H 5.500 . 5.500 4.758 3.950 5.676 0.176 6 0 "[ . 1 . ]" 1
242 1 57 MET H 1 58 GLU H 3.930 . 3.930 3.218 2.586 4.379 0.449 6 0 "[ . 1 . ]" 1
243 1 57 MET H 1 59 GLN HG2 5.000 . 5.000 5.146 4.518 5.442 0.442 7 0 "[ . 1 . ]" 1
244 1 58 GLU H 1 58 GLU QB 3.530 . 3.530 2.949 2.759 3.259 . 0 0 "[ . 1 . ]" 1
245 1 58 GLU H 1 59 GLN H 4.470 . 4.470 2.149 1.482 3.346 . 0 0 "[ . 1 . ]" 1
246 1 58 GLU H 1 59 GLN HG2 3.600 . 3.600 3.508 2.671 3.869 0.269 6 0 "[ . 1 . ]" 1
247 1 58 GLU H 1 59 GLN QE 5.340 . 5.340 4.714 2.017 5.412 0.072 15 0 "[ . 1 . ]" 1
248 1 59 GLN H 1 59 GLN HG2 3.570 . 3.570 2.445 1.756 3.204 . 0 0 "[ . 1 . ]" 1
249 1 59 GLN H 1 59 GLN QB 3.630 . 3.630 2.712 2.534 2.944 . 0 0 "[ . 1 . ]" 1
250 1 59 GLN H 1 59 GLN QE 5.340 . 5.340 3.957 2.223 4.745 . 0 0 "[ . 1 . ]" 1
251 1 59 GLN H 1 61 ALA H 5.500 . 5.500 4.411 4.223 4.585 . 0 0 "[ . 1 . ]" 1
252 1 59 GLN HA 1 61 ALA H 5.030 . 5.030 4.405 4.130 4.631 . 0 0 "[ . 1 . ]" 1
253 1 59 GLN QB 1 62 VAL H 4.500 . 4.500 4.755 4.634 4.971 0.471 6 0 "[ . 1 . ]" 1
254 1 59 GLN QB 1 63 SER H 5.000 . 5.000 4.509 4.210 4.687 . 0 0 "[ . 1 . ]" 1
255 1 60 SER H 1 61 ALA H 4.460 . 4.460 2.619 2.475 2.773 . 0 0 "[ . 1 . ]" 1
256 1 61 ALA H 1 62 VAL H 3.030 . 3.030 2.613 2.545 2.730 . 0 0 "[ . 1 . ]" 1
257 1 61 ALA H 1 63 SER H 4.500 . 4.500 4.413 4.197 4.533 0.033 10 0 "[ . 1 . ]" 1
258 1 61 ALA HA 1 63 SER H 5.500 . 5.500 4.797 4.637 4.919 . 0 0 "[ . 1 . ]" 1
259 1 61 ALA MB 1 62 VAL H 4.240 . 4.240 2.699 2.563 2.789 . 0 0 "[ . 1 . ]" 1
260 1 62 VAL H 1 62 VAL HB 4.160 . 4.160 2.510 2.338 3.578 . 0 0 "[ . 1 . ]" 1
261 1 62 VAL H 1 62 VAL MG2 4.110 . 4.110 2.195 1.640 3.721 . 0 0 "[ . 1 . ]" 1
262 1 62 VAL H 1 63 SER H 3.170 . 3.170 2.668 2.599 2.749 . 0 0 "[ . 1 . ]" 1
263 1 62 VAL HB 1 63 SER H 4.820 . 4.820 2.490 2.276 3.811 . 0 0 "[ . 1 . ]" 1
264 1 63 SER H 1 63 SER HA 2.930 . 2.930 2.797 2.780 2.822 . 0 0 "[ . 1 . ]" 1
265 1 63 SER H 1 64 HIS H 3.410 . 3.410 2.768 2.699 2.825 . 0 0 "[ . 1 . ]" 1
266 1 63 SER H 1 64 HIS HA 5.500 . 5.500 5.370 5.312 5.416 . 0 0 "[ . 1 . ]" 1
267 1 64 HIS H 1 64 HIS QB 3.190 . 3.190 2.292 2.238 2.371 . 0 0 "[ . 1 . ]" 1
268 1 64 HIS QB 1 65 GLN H 3.790 . 3.790 2.391 2.317 2.542 . 0 0 "[ . 1 . ]" 1
269 1 65 GLN H 1 65 GLN QB 3.390 . 3.390 2.285 2.071 2.359 . 0 0 "[ . 1 . ]" 1
270 1 65 GLN H 1 66 LEU H 3.380 . 3.380 2.674 2.609 2.806 . 0 0 "[ . 1 . ]" 1
271 1 65 GLN HA 1 67 ARG H 4.600 . 4.600 4.447 4.398 4.574 . 0 0 "[ . 1 . ]" 1
272 1 65 GLN HB2 1 66 LEU H 4.610 . 4.610 3.088 2.639 3.895 . 0 0 "[ . 1 . ]" 1
273 1 65 GLN HB3 1 66 LEU H 4.610 . 4.610 3.220 2.416 3.699 . 0 0 "[ . 1 . ]" 1
274 1 65 GLN QB 1 66 LEU H 3.880 . 3.880 2.612 2.388 2.795 . 0 0 "[ . 1 . ]" 1
275 1 66 LEU H 1 66 LEU MD1 5.220 . 5.220 4.030 3.566 4.304 . 0 0 "[ . 1 . ]" 1
276 1 66 LEU H 1 66 LEU HG 4.730 . 4.730 4.140 1.883 4.450 . 0 0 "[ . 1 . ]" 1
277 1 66 LEU H 1 66 LEU QB 3.630 . 3.630 2.235 2.125 2.596 . 0 0 "[ . 1 . ]" 1
278 1 66 LEU H 1 67 ARG H 3.330 . 3.330 2.678 2.535 2.729 . 0 0 "[ . 1 . ]" 1
279 1 66 LEU MD2 1 67 ARG H 5.500 . 5.500 3.834 2.805 4.371 . 0 0 "[ . 1 . ]" 1
280 1 66 LEU HG 1 67 ARG H 4.950 . 4.950 4.241 3.515 5.111 0.161 13 0 "[ . 1 . ]" 1
281 1 66 LEU QB 1 67 ARG H 4.010 . 4.010 2.516 2.432 2.688 . 0 0 "[ . 1 . ]" 1
282 1 67 ARG H 1 67 ARG HD2 5.500 . 5.500 4.485 3.856 5.888 0.388 7 0 "[ . 1 . ]" 1
283 1 67 ARG H 1 67 ARG HD3 5.500 . 5.500 4.677 3.872 5.067 . 0 0 "[ . 1 . ]" 1
284 1 67 ARG H 1 68 VAL H 3.400 . 3.400 2.721 2.666 2.821 . 0 0 "[ . 1 . ]" 1
285 1 67 ARG H 1 69 LEU H 4.610 . 4.610 4.445 4.245 4.519 . 0 0 "[ . 1 . ]" 1
286 1 68 VAL H 1 69 LEU H 3.430 . 3.430 2.788 2.625 2.867 . 0 0 "[ . 1 . ]" 1
287 1 68 VAL H 1 70 ARG H 5.220 . 5.220 3.929 3.799 4.136 . 0 0 "[ . 1 . ]" 1
288 1 68 VAL MG1 1 69 LEU H 4.530 . 4.530 3.040 1.722 3.789 . 0 0 "[ . 1 . ]" 1
289 1 69 LEU H 1 69 LEU MD2 5.160 . 5.160 3.384 1.843 3.951 . 0 0 "[ . 1 . ]" 1
290 1 69 LEU H 1 69 LEU QB 2.930 . 2.930 2.322 2.052 2.447 . 0 0 "[ . 1 . ]" 1
291 1 69 LEU H 1 70 ARG H 3.560 . 3.560 2.693 2.531 2.864 . 0 0 "[ . 1 . ]" 1
292 1 69 LEU HA 1 71 ASN H 5.480 . 5.480 4.279 4.157 4.509 . 0 0 "[ . 1 . ]" 1
293 1 69 LEU HA 1 72 LEU H 4.610 . 4.610 3.403 3.223 3.771 . 0 0 "[ . 1 . ]" 1
294 1 69 LEU QB 1 70 ARG H 2.820 . 2.820 2.680 2.528 3.030 0.210 4 0 "[ . 1 . ]" 1
295 1 70 ARG H 1 70 ARG QB 3.450 . 3.450 2.260 2.213 2.345 . 0 0 "[ . 1 . ]" 1
296 1 70 ARG H 1 71 ASN H 3.290 . 3.290 2.730 2.595 2.825 . 0 0 "[ . 1 . ]" 1
297 1 70 ARG H 1 72 LEU H 4.640 . 4.640 4.294 4.053 4.455 . 0 0 "[ . 1 . ]" 1
298 1 70 ARG HA 1 73 GLY H 4.140 . 4.140 3.500 3.212 4.459 0.319 4 0 "[ . 1 . ]" 1
299 1 70 ARG QB 1 71 ASN H 4.180 . 4.180 2.564 2.469 2.673 . 0 0 "[ . 1 . ]" 1
300 1 70 ARG QG 1 71 ASN H 5.030 . 5.030 3.745 3.451 4.323 . 0 0 "[ . 1 . ]" 1
301 1 71 ASN H 1 71 ASN QB 3.320 . 3.320 2.334 2.237 2.441 . 0 0 "[ . 1 . ]" 1
302 1 71 ASN H 1 72 LEU H 3.360 . 3.360 2.742 2.620 2.837 . 0 0 "[ . 1 . ]" 1
303 1 71 ASN H 1 72 LEU MD2 5.500 . 5.500 4.052 3.628 4.408 . 0 0 "[ . 1 . ]" 1
304 1 71 ASN H 1 73 GLY H 5.310 . 5.310 4.132 3.725 4.879 . 0 0 "[ . 1 . ]" 1
305 1 71 ASN QB 1 72 LEU H 3.940 . 3.940 2.473 2.331 2.660 . 0 0 "[ . 1 . ]" 1
306 1 72 LEU H 1 72 LEU MD2 3.260 . 3.260 2.247 1.823 2.656 . 0 0 "[ . 1 . ]" 1
307 1 72 LEU H 1 72 LEU QB 2.910 . 2.910 2.553 2.221 3.235 0.325 5 0 "[ . 1 . ]" 1
308 1 72 LEU HB2 1 73 GLY H 4.590 . 4.590 2.748 2.293 4.212 . 0 0 "[ . 1 . ]" 1
309 1 72 LEU HB3 1 73 GLY H 4.590 . 4.590 3.772 2.883 4.594 0.004 5 0 "[ . 1 . ]" 1
310 1 72 LEU QB 1 73 GLY H 3.990 . 3.990 2.672 2.209 3.897 . 0 0 "[ . 1 . ]" 1
311 1 73 GLY H 1 75 VAL H 5.000 . 5.000 3.979 3.564 4.567 . 0 0 "[ . 1 . ]" 1
312 1 74 LEU H 1 74 LEU QB 3.680 . 3.680 2.601 2.247 3.429 . 0 0 "[ . 1 . ]" 1
313 1 74 LEU H 1 75 VAL H 2.850 . 2.850 2.082 1.453 3.098 0.248 1 0 "[ . 1 . ]" 1
314 1 74 LEU QB 1 75 VAL H 4.390 . 4.390 3.196 2.838 3.911 . 0 0 "[ . 1 . ]" 1
315 1 75 VAL H 1 76 VAL H 5.500 . 5.500 4.423 4.400 4.438 . 0 0 "[ . 1 . ]" 1
316 1 75 VAL H 1 76 VAL HA 5.500 . 5.500 4.835 4.745 4.912 . 0 0 "[ . 1 . ]" 1
317 1 75 VAL H 1 89 TYR H . . 4.000 4.079 3.923 4.294 0.294 4 0 "[ . 1 . ]" 1
318 1 75 VAL H 1 89 TYR HB2 5.500 . 5.500 3.401 3.218 3.807 . 0 0 "[ . 1 . ]" 1
319 1 75 VAL H 1 89 TYR HB3 5.500 . 5.500 4.782 3.951 5.281 . 0 0 "[ . 1 . ]" 1
320 1 75 VAL H 1 89 TYR QD . . 5.000 4.157 3.325 5.071 0.071 6 0 "[ . 1 . ]" 1
321 1 76 VAL H 1 76 VAL HB 3.870 . 3.870 2.755 2.588 3.747 . 0 0 "[ . 1 . ]" 1
322 1 76 VAL H 1 76 VAL MG2 3.910 . 3.910 3.017 2.268 3.208 . 0 0 "[ . 1 . ]" 1
323 1 76 VAL H 1 77 GLY H 5.500 . 5.500 4.406 4.372 4.466 . 0 0 "[ . 1 . ]" 1
324 1 76 VAL H 1 87 SER H 3.300 . 3.300 3.259 3.022 3.452 0.152 12 0 "[ . 1 . ]" 1
325 1 76 VAL H 1 89 TYR H 5.360 . 5.360 3.565 3.326 3.746 . 0 0 "[ . 1 . ]" 1
326 1 76 VAL HA 1 89 TYR H 5.480 . 5.480 5.711 5.611 5.839 0.359 18 0 "[ . 1 . ]" 1
327 1 76 VAL HB 1 77 GLY H 4.000 . 4.000 3.766 2.266 4.124 0.124 9 0 "[ . 1 . ]" 1
328 1 76 VAL HB 1 87 SER H 4.290 . 4.290 4.489 4.129 4.779 0.489 6 0 "[ . 1 . ]" 1
329 1 76 VAL MG1 1 77 GLY H 4.730 . 4.730 1.964 1.601 3.075 . 0 0 "[ . 1 . ]" 1
330 1 77 GLY H 1 78 ASP H 4.520 . 4.520 4.430 4.294 4.534 0.014 7 0 "[ . 1 . ]" 1
331 1 77 GLY H 1 87 SER H . . 4.900 4.829 4.634 5.014 0.114 9 0 "[ . 1 . ]" 1
332 1 77 GLY QA 1 78 ASP H 2.800 . 2.800 2.194 2.109 2.271 . 0 0 "[ . 1 . ]" 1
333 1 77 GLY QA 1 87 SER H 5.340 . 5.340 3.038 2.685 3.383 . 0 0 "[ . 1 . ]" 1
334 1 78 ASP H 1 78 ASP QB 3.640 . 3.640 2.542 2.388 3.151 . 0 0 "[ . 1 . ]" 1
335 1 78 ASP H 1 87 SER H 5.500 . 5.500 4.832 4.531 5.277 . 0 0 "[ . 1 . ]" 1
336 1 78 ASP HA 1 79 ARG H 3.170 . 3.170 2.162 2.131 2.231 . 0 0 "[ . 1 . ]" 1
337 1 78 ASP HB2 1 79 ARG H 4.970 . 4.970 4.322 3.759 4.572 . 0 0 "[ . 1 . ]" 1
338 1 78 ASP HB3 1 79 ARG H 4.970 . 4.970 3.787 2.873 4.387 . 0 0 "[ . 1 . ]" 1
339 1 78 ASP QB 1 79 ARG H 4.280 . 4.280 3.522 2.813 3.975 . 0 0 "[ . 1 . ]" 1
340 1 79 ARG H 1 79 ARG QB 3.550 . 3.550 2.355 2.215 2.864 . 0 0 "[ . 1 . ]" 1
341 1 79 ARG H 1 80 ALA H 4.850 . 4.850 4.550 4.475 4.626 . 0 0 "[ . 1 . ]" 1
342 1 79 ARG HA 1 80 ALA H 3.050 . 3.050 2.192 2.125 2.388 . 0 0 "[ . 1 . ]" 1
343 1 79 ARG HB2 1 80 ALA H 5.320 . 5.320 3.974 2.733 4.334 . 0 0 "[ . 1 . ]" 1
344 1 79 ARG HB3 1 80 ALA H 5.320 . 5.320 3.895 2.439 4.239 . 0 0 "[ . 1 . ]" 1
345 1 79 ARG HD2 1 80 ALA H 5.500 . 5.500 4.988 3.452 5.772 0.272 14 0 "[ . 1 . ]" 1
346 1 79 ARG HD3 1 80 ALA H 5.500 . 5.500 5.238 3.624 5.915 0.415 17 0 "[ . 1 . ]" 1
347 1 79 ARG QG 1 80 ALA H 4.570 . 4.570 2.941 2.311 3.896 . 0 0 "[ . 1 . ]" 1
348 1 80 ALA H 1 81 GLY H 5.290 . 5.290 4.037 3.550 4.429 . 0 0 "[ . 1 . ]" 1
349 1 80 ALA H 1 82 ARG H 5.500 . 5.500 4.928 3.782 5.585 0.085 1 0 "[ . 1 . ]" 1
350 1 80 ALA H 1 83 SER H 4.320 . 4.320 3.252 2.753 3.856 . 0 0 "[ . 1 . ]" 1
351 1 80 ALA H 1 83 SER HB2 5.500 . 5.500 5.261 3.803 5.707 0.207 11 0 "[ . 1 . ]" 1
352 1 80 ALA H 1 83 SER HB3 5.500 . 5.500 5.197 3.943 5.644 0.144 14 0 "[ . 1 . ]" 1
353 1 80 ALA HA 1 83 SER H 5.010 . 5.010 4.652 4.192 5.118 0.108 2 0 "[ . 1 . ]" 1
354 1 80 ALA MB 1 81 GLY H 5.250 . 5.250 3.129 2.188 3.584 . 0 0 "[ . 1 . ]" 1
355 1 80 ALA MB 1 83 SER H 5.500 . 5.500 3.370 2.178 4.321 . 0 0 "[ . 1 . ]" 1
356 1 81 GLY QA 1 83 SER H 4.590 . 4.590 3.854 3.311 4.403 . 0 0 "[ . 1 . ]" 1
357 1 82 ARG H 1 82 ARG HG2 5.500 . 5.500 3.505 1.861 4.660 . 0 0 "[ . 1 . ]" 1
358 1 82 ARG H 1 82 ARG HG3 5.500 . 5.500 3.500 2.017 4.689 . 0 0 "[ . 1 . ]" 1
359 1 82 ARG H 1 83 SER H 3.820 . 3.820 2.592 1.627 3.197 . 0 0 "[ . 1 . ]" 1
360 1 82 ARG QB 1 83 SER H 4.450 . 4.450 3.437 2.122 4.040 . 0 0 "[ . 1 . ]" 1
361 1 83 SER H 1 83 SER QB 3.530 . 3.530 2.885 2.552 3.217 . 0 0 "[ . 1 . ]" 1
362 1 83 SER H 1 84 ILE H 4.100 . 4.100 4.264 3.798 4.434 0.334 13 0 "[ . 1 . ]" 1
363 1 83 SER HA 1 84 ILE H 3.010 . 3.010 2.351 2.127 2.580 . 0 0 "[ . 1 . ]" 1
364 1 84 ILE H 1 84 ILE HB 3.780 . 3.780 3.445 3.028 3.914 0.134 8 0 "[ . 1 . ]" 1
365 1 84 ILE HB 1 85 VAL H 4.520 . 4.520 3.592 2.639 4.170 . 0 0 "[ . 1 . ]" 1
366 1 84 ILE MD 1 85 VAL H 4.010 . 4.010 2.236 1.812 3.038 . 0 0 "[ . 1 . ]" 1
367 1 84 ILE MD 1 86 TYR H 5.500 . 5.500 3.971 2.992 4.894 . 0 0 "[ . 1 . ]" 1
368 1 85 VAL HA 1 86 TYR H 3.500 . 3.500 2.190 2.122 2.347 . 0 0 "[ . 1 . ]" 1
369 1 85 VAL HB 1 86 TYR H 4.250 . 4.250 3.801 2.501 4.304 0.054 17 0 "[ . 1 . ]" 1
370 1 85 VAL MG1 1 86 TYR H 4.630 . 4.630 2.812 2.003 3.762 . 0 0 "[ . 1 . ]" 1
371 1 86 TYR H 1 86 TYR QB 3.450 . 3.450 2.470 2.314 2.799 . 0 0 "[ . 1 . ]" 1
372 1 86 TYR H 1 87 SER H 5.280 . 5.280 4.477 4.411 4.513 . 0 0 "[ . 1 . ]" 1
373 1 87 SER HB2 1 88 LEU H 4.930 . 4.930 3.066 2.291 3.886 . 0 0 "[ . 1 . ]" 1
374 1 87 SER HB3 1 88 LEU H 4.930 . 4.930 3.133 2.259 3.900 . 0 0 "[ . 1 . ]" 1
375 1 87 SER QB 1 88 LEU H 4.270 . 4.270 2.488 2.233 3.181 . 0 0 "[ . 1 . ]" 1
376 1 88 LEU H 1 88 LEU QB 3.600 . 3.600 2.508 2.210 2.921 . 0 0 "[ . 1 . ]" 1
377 1 88 LEU H 1 89 TYR H 5.500 . 5.500 4.615 4.565 4.655 . 0 0 "[ . 1 . ]" 1
378 1 89 TYR H 1 89 TYR QB 3.170 . 3.170 2.217 2.128 2.256 . 0 0 "[ . 1 . ]" 1
379 1 93 VAL H 1 93 VAL HB 3.990 . 3.990 2.857 2.433 3.591 . 0 0 "[ . 1 . ]" 1
380 1 93 VAL H 1 94 ALA H 3.800 . 3.800 2.796 2.624 2.883 . 0 0 "[ . 1 . ]" 1
381 1 93 VAL H 1 94 ALA MB 5.500 . 5.500 4.413 4.258 4.498 . 0 0 "[ . 1 . ]" 1
382 1 93 VAL HB 1 94 ALA H 4.860 . 4.860 3.377 2.572 3.972 . 0 0 "[ . 1 . ]" 1
383 1 93 VAL MG1 1 94 ALA H 4.930 . 4.930 3.105 1.761 3.974 . 0 0 "[ . 1 . ]" 1
384 1 94 ALA H 1 95 GLN H 3.600 . 3.600 2.687 2.523 2.845 . 0 0 "[ . 1 . ]" 1
385 1 94 ALA H 1 96 LEU H 5.500 . 5.500 4.226 4.081 4.423 . 0 0 "[ . 1 . ]" 1
386 1 94 ALA MB 1 95 GLN H . . 4.090 2.528 2.289 2.662 . 0 0 "[ . 1 . ]" 1
387 1 94 ALA MB 1 96 LEU H 5.500 . 5.500 4.574 4.405 4.808 . 0 0 "[ . 1 . ]" 1
388 1 95 GLN H 1 95 GLN QB 3.310 . 3.310 2.309 2.232 2.448 . 0 0 "[ . 1 . ]" 1
389 1 95 GLN H 1 95 GLN QG 4.160 . 4.160 3.329 2.078 4.058 . 0 0 "[ . 1 . ]" 1
390 1 95 GLN H 1 96 LEU H 3.360 . 3.360 2.702 2.622 2.789 . 0 0 "[ . 1 . ]" 1
391 1 95 GLN HG2 1 96 LEU H 5.500 . 5.500 4.351 3.615 4.959 . 0 0 "[ . 1 . ]" 1
392 1 95 GLN HG3 1 96 LEU H 5.500 . 5.500 4.372 3.756 4.890 . 0 0 "[ . 1 . ]" 1
393 1 95 GLN QB 1 96 LEU H 3.900 . 3.900 2.463 2.295 2.587 . 0 0 "[ . 1 . ]" 1
394 1 96 LEU H 1 96 LEU HG 4.640 . 4.640 3.954 1.837 4.459 . 0 0 "[ . 1 . ]" 1
395 1 96 LEU H 1 97 LEU H 3.470 . 3.470 2.722 2.591 2.795 . 0 0 "[ . 1 . ]" 1
396 1 96 LEU HB2 1 97 LEU H 4.320 . 4.320 3.321 2.475 3.802 . 0 0 "[ . 1 . ]" 1
397 1 96 LEU HB3 1 97 LEU H 4.320 . 4.320 2.906 2.418 3.914 . 0 0 "[ . 1 . ]" 1
398 1 96 LEU QB 1 97 LEU H 3.710 . 3.710 2.527 2.388 3.403 . 0 0 "[ . 1 . ]" 1
399 1 97 LEU H 1 101 ILE H 5.500 . 5.500 5.730 5.621 5.908 0.408 15 0 "[ . 1 . ]" 1
400 1 97 LEU H 1 97 LEU QB 2.970 . 2.970 2.292 2.154 2.388 . 0 0 "[ . 1 . ]" 1
401 1 97 LEU H 1 98 ASP H 3.470 . 3.470 2.606 2.553 2.645 . 0 0 "[ . 1 . ]" 1
402 1 97 LEU QB 1 98 ASP H 3.380 . 3.380 2.640 2.554 2.772 . 0 0 "[ . 1 . ]" 1
403 1 98 ASP H 1 101 ILE H 4.850 . 4.850 4.654 4.567 4.772 . 0 0 "[ . 1 . ]" 1
404 1 98 ASP H 1 98 ASP QB 3.600 . 3.600 2.297 2.221 2.374 . 0 0 "[ . 1 . ]" 1
405 1 98 ASP QB 1 99 GLU H 2.960 . 2.960 2.516 2.414 2.673 . 0 0 "[ . 1 . ]" 1
406 1 99 GLU H 1 99 GLU QB 3.540 . 3.540 2.312 2.121 2.402 . 0 0 "[ . 1 . ]" 1
407 1 99 GLU H 1 100 ALA H 2.950 . 2.950 2.681 2.570 2.770 . 0 0 "[ . 1 . ]" 1
408 1 99 GLU HG2 1 100 ALA H 5.420 . 5.420 4.615 4.236 5.012 . 0 0 "[ . 1 . ]" 1
409 1 99 GLU HG3 1 100 ALA H 5.420 . 5.420 4.683 4.217 4.938 . 0 0 "[ . 1 . ]" 1
410 1 99 GLU QB 1 100 ALA H 4.360 . 4.360 2.403 2.282 2.548 . 0 0 "[ . 1 . ]" 1
411 1 101 ILE H 1 101 ILE HB 3.340 . 3.340 2.354 2.188 2.424 . 0 0 "[ . 1 . ]" 1
412 1 101 ILE H 1 101 ILE QG 3.720 . 3.720 2.691 2.261 4.028 0.308 12 0 "[ . 1 . ]" 1
413 1 101 ILE HA 1 104 SER H 5.500 . 5.500 3.477 3.288 3.649 . 0 0 "[ . 1 . ]" 1
414 1 101 ILE HB 1 102 TYR H 3.260 . 3.260 2.736 2.523 3.655 0.395 17 0 "[ . 1 . ]" 1
415 1 101 ILE MD 1 104 SER H 5.500 . 5.500 5.047 4.294 5.329 . 0 0 "[ . 1 . ]" 1
416 1 101 ILE MD 1 105 GLU H 5.500 . 5.500 4.850 3.024 5.272 . 0 0 "[ . 1 . ]" 1
417 1 102 TYR H 1 102 TYR HD1 5.500 . 5.500 3.915 2.110 4.736 . 0 0 "[ . 1 . ]" 1
418 1 102 TYR H 1 102 TYR QB 3.380 . 3.380 2.229 2.185 2.258 . 0 0 "[ . 1 . ]" 1
419 1 102 TYR QB 1 103 HIS H 3.960 . 3.960 2.525 2.346 2.698 . 0 0 "[ . 1 . ]" 1
420 1 103 HIS H 1 103 HIS QB 3.260 . 3.260 2.275 2.059 2.430 . 0 0 "[ . 1 . ]" 1
421 1 103 HIS H 1 104 SER H 3.540 . 3.540 2.661 2.547 2.805 . 0 0 "[ . 1 . ]" 1
422 1 103 HIS H 1 104 SER HB2 5.500 . 5.500 5.070 4.615 5.509 0.009 13 0 "[ . 1 . ]" 1
423 1 103 HIS H 1 104 SER HB3 5.500 . 5.500 4.927 4.646 5.164 . 0 0 "[ . 1 . ]" 1
424 1 103 HIS H 1 104 SER QB 4.740 . 4.740 4.431 4.274 4.608 . 0 0 "[ . 1 . ]" 1
425 1 103 HIS QB 1 104 SER H 3.810 . 3.810 2.658 2.435 3.243 . 0 0 "[ . 1 . ]" 1
426 1 104 SER H 1 104 SER QB 2.920 . 2.920 2.236 2.166 2.280 . 0 0 "[ . 1 . ]" 1
427 1 104 SER H 1 105 GLU H 3.590 . 3.590 2.586 2.416 2.799 . 0 0 "[ . 1 . ]" 1
428 1 104 SER QB 1 105 GLU H 3.490 . 3.490 2.502 2.307 2.715 . 0 0 "[ . 1 . ]" 1
429 1 105 GLU H 1 105 GLU QB 3.200 . 3.200 2.284 2.212 2.397 . 0 0 "[ . 1 . ]" 1
430 1 105 GLU H 1 105 GLU QG 4.600 . 4.600 3.530 2.243 4.052 . 0 0 "[ . 1 . ]" 1
431 1 105 GLU H 1 106 HIS H 3.010 . 3.010 2.656 2.540 2.765 . 0 0 "[ . 1 . ]" 1
432 1 106 HIS H 1 106 HIS QB 3.430 . 3.430 2.275 2.180 2.438 . 0 0 "[ . 1 . ]" 1
433 1 106 HIS H 1 107 LEU H 3.010 . 3.010 2.937 2.506 3.195 0.185 3 0 "[ . 1 . ]" 1
434 1 106 HIS QB 1 107 LEU H 4.030 . 4.030 2.469 1.878 3.499 . 0 0 "[ . 1 . ]" 1
435 1 107 LEU H 1 107 LEU QB 2.730 . 2.730 2.564 2.228 2.999 0.269 7 0 "[ . 1 . ]" 1
436 1 107 LEU H 1 108 HIS H 3.820 . 3.820 3.559 2.468 4.111 0.291 12 0 "[ . 1 . ]" 1
437 1 107 LEU QB 1 108 HIS H 4.230 . 4.230 2.910 1.702 4.028 . 0 0 "[ . 1 . ]" 1
438 1 108 HIS H 1 108 HIS QB 3.640 . 3.640 2.932 2.416 3.327 . 0 0 "[ . 1 . ]" 1
439 1 109 LEU H 1 109 LEU MD1 3.750 . 3.750 2.772 1.726 3.634 . 0 0 "[ . 1 . ]" 1
440 1 109 LEU H 1 109 LEU QB 2.740 . 2.740 2.412 2.241 3.099 0.359 16 0 "[ . 1 . ]" 1
441 1 109 LEU H 1 110 GLY H 3.020 . 3.020 2.700 2.554 3.179 0.159 4 0 "[ . 1 . ]" 1
442 1 109 LEU MD1 1 110 GLY H 5.500 . 5.500 4.135 2.464 4.733 . 0 0 "[ . 1 . ]" 1
443 1 109 LEU QB 1 110 GLY H 3.570 . 3.570 2.721 2.505 3.897 0.327 4 0 "[ . 1 . ]" 1
444 1 111 LEU H 1 112 SER H 5.500 . 5.500 3.789 2.483 4.623 . 0 0 "[ . 1 . ]" 1
445 1 111 LEU HA 1 112 SER H 3.250 . 3.250 2.542 2.123 3.505 0.255 19 0 "[ . 1 . ]" 1
446 1 111 LEU HG 1 112 SER H 5.340 . 5.340 4.210 2.861 5.087 . 0 0 "[ . 1 . ]" 1
447 1 111 LEU QB 1 112 SER H 4.450 . 4.450 3.270 1.703 4.045 . 0 0 "[ . 1 . ]" 1
448 1 112 SER H 1 112 SER QB 3.670 . 3.670 2.612 2.215 3.199 . 0 0 "[ . 1 . ]" 1
449 1 112 SER QB 1 113 ASP H 4.110 . 4.110 3.048 1.831 4.023 . 0 0 "[ . 1 . ]" 1
450 1 113 ASP H 1 113 ASP QB 3.660 . 3.660 2.689 2.254 3.277 . 0 0 "[ . 1 . ]" 1
451 1 113 ASP HB2 1 114 ARG H 5.200 . 5.200 3.825 1.956 4.672 . 0 0 "[ . 1 . ]" 1
452 1 113 ASP HB3 1 114 ARG H 5.200 . 5.200 3.733 1.811 4.551 . 0 0 "[ . 1 . ]" 1
453 1 114 ARG H 1 114 ARG HG2 4.580 . 4.580 3.138 1.718 4.649 0.069 2 0 "[ . 1 . ]" 1
454 1 114 ARG H 1 114 ARG HG3 4.580 . 4.580 3.091 2.241 4.460 . 0 0 "[ . 1 . ]" 1
455 1 114 ARG H 1 114 ARG QB 3.630 . 3.630 2.583 2.206 3.270 . 0 0 "[ . 1 . ]" 1
456 1 114 ARG H 1 114 ARG QG 3.870 . 3.870 2.536 1.694 4.031 0.161 2 0 "[ . 1 . ]" 1
457 1 114 ARG H 1 115 HIS H 4.740 . 4.740 4.051 1.861 4.619 . 0 0 "[ . 1 . ]" 1
458 1 116 PRO QB 1 117 SER H 3.410 . 3.410 2.954 2.343 3.418 0.008 19 0 "[ . 1 . ]" 1
459 2 3 GLY H 2 4 VAL H 4.830 . 4.830 3.601 2.418 4.626 . 0 0 "[ . 1 . ]" 1
460 2 4 VAL H 2 5 GLU H 5.190 . 5.190 3.719 2.428 4.572 . 0 0 "[ . 1 . ]" 1
461 2 4 VAL HA 2 5 GLU H 3.300 . 3.300 2.682 2.139 3.528 0.228 4 0 "[ . 1 . ]" 1
462 2 4 VAL HB 2 5 GLU H 4.190 . 4.190 3.488 2.457 4.244 0.054 15 0 "[ . 1 . ]" 1
463 2 5 GLU H 2 5 GLU QB 3.600 . 3.600 2.599 2.323 3.218 . 0 0 "[ . 1 . ]" 1
464 2 5 GLU H 2 5 GLU QG 4.460 . 4.460 2.757 1.896 4.105 . 0 0 "[ . 1 . ]" 1
465 2 7 ARG H 2 7 ARG QG 4.380 . 4.380 2.863 1.879 4.224 . 0 0 "[ . 1 . ]" 1
466 2 7 ARG H 2 8 ASN H 4.920 . 4.920 3.850 2.463 4.612 . 0 0 "[ . 1 . ]" 1
467 2 8 ASN HB2 2 9 ARG H 5.500 . 5.500 3.766 2.350 4.613 . 0 0 "[ . 1 . ]" 1
468 2 8 ASN HB3 2 9 ARG H 5.500 . 5.500 3.617 1.872 4.670 . 0 0 "[ . 1 . ]" 1
469 2 9 ARG H 2 10 PRO QD 4.790 . 4.790 3.015 1.864 4.413 . 0 0 "[ . 1 . ]" 1
470 2 10 PRO HA 2 11 SER H 2.970 . 2.970 2.346 2.181 3.140 0.170 11 0 "[ . 1 . ]" 1
471 2 11 SER H 2 12 ALA MB 5.500 . 5.500 4.322 3.376 5.126 . 0 0 "[ . 1 . ]" 1
472 2 11 SER HA 2 12 ALA H 3.030 . 3.030 2.428 2.147 3.250 0.220 6 0 "[ . 1 . ]" 1
473 2 11 SER QB 2 12 ALA H 3.910 . 3.910 3.374 2.119 4.017 0.107 7 0 "[ . 1 . ]" 1
474 2 12 ALA H 2 12 ALA MB 3.460 . 3.460 2.758 2.103 2.967 . 0 0 "[ . 1 . ]" 1
475 2 13 PRO HD2 2 14 LEU H 5.500 . 5.500 5.144 2.986 5.646 0.146 13 0 "[ . 1 . ]" 1
476 2 13 PRO HD3 2 14 LEU H 5.500 . 5.500 5.384 4.015 5.775 0.275 17 0 "[ . 1 . ]" 1
477 2 13 PRO QG 2 14 LEU H 4.700 . 4.700 4.441 2.481 4.784 0.084 10 0 "[ . 1 . ]" 1
478 2 14 LEU H 2 14 LEU MD1 4.040 . 4.040 3.335 1.738 3.801 . 0 0 "[ . 1 . ]" 1
479 2 14 LEU H 2 14 LEU MD2 . . 4.460 2.897 1.521 3.806 . 0 0 "[ . 1 . ]" 1
480 2 14 LEU H 2 14 LEU HG 3.150 . 3.150 2.254 1.772 3.533 0.383 17 0 "[ . 1 . ]" 1
481 2 14 LEU H 2 14 LEU QB 3.340 . 3.340 2.644 2.401 3.092 . 0 0 "[ . 1 . ]" 1
482 2 15 ASP H 2 15 ASP QB 3.460 . 3.460 2.430 2.197 2.560 . 0 0 "[ . 1 . ]" 1
483 2 15 ASP H 2 16 SER H 5.200 . 5.200 2.729 2.165 3.217 . 0 0 "[ . 1 . ]" 1
484 2 15 ASP HA 2 16 SER H 3.470 . 3.470 3.514 3.419 3.568 0.098 17 0 "[ . 1 . ]" 1
485 2 15 ASP HB2 2 18 ALA H 5.500 . 5.500 5.432 5.070 5.616 0.116 12 0 "[ . 1 . ]" 1
486 2 15 ASP HB3 2 18 ALA H 5.500 . 5.500 5.131 4.047 5.622 0.122 13 0 "[ . 1 . ]" 1
487 2 15 ASP QB 2 16 SER H 4.060 . 4.060 2.616 2.143 3.231 . 0 0 "[ . 1 . ]" 1
488 2 16 SER H 2 16 SER QB 3.020 . 3.020 2.343 2.204 2.554 . 0 0 "[ . 1 . ]" 1
489 2 16 SER H 2 18 ALA H 4.680 . 4.680 4.300 4.110 4.500 . 0 0 "[ . 1 . ]" 1
490 2 16 SER H 2 19 ALA H 5.500 . 5.500 4.822 4.684 5.083 . 0 0 "[ . 1 . ]" 1
491 2 16 SER QB 2 17 GLN H 3.700 . 3.700 2.911 2.317 3.573 . 0 0 "[ . 1 . ]" 1
492 2 17 GLN H 2 17 GLN QB 3.240 . 3.240 2.393 2.224 2.814 . 0 0 "[ . 1 . ]" 1
493 2 17 GLN H 2 17 GLN QE 4.010 . 4.010 3.743 3.077 4.082 0.072 4 0 "[ . 1 . ]" 1
494 2 17 GLN H 2 17 GLN QG 3.760 . 3.760 2.701 1.723 4.041 0.281 13 0 "[ . 1 . ]" 1
495 2 17 GLN H 2 18 ALA H 2.980 . 2.980 2.685 2.627 2.947 . 0 0 "[ . 1 . ]" 1
496 2 17 GLN H 2 19 ALA H 4.990 . 4.990 4.044 3.861 4.703 . 0 0 "[ . 1 . ]" 1
497 2 17 GLN HG2 2 18 ALA H 5.500 . 5.500 4.301 1.961 5.003 . 0 0 "[ . 1 . ]" 1
498 2 17 GLN HG3 2 18 ALA H 5.500 . 5.500 4.234 1.801 5.025 . 0 0 "[ . 1 . ]" 1
499 2 17 GLN QB 2 18 ALA H 3.290 . 3.290 2.529 2.352 3.318 0.028 7 0 "[ . 1 . ]" 1
500 2 17 GLN QB 2 19 ALA H 5.340 . 5.340 4.596 4.429 4.919 . 0 0 "[ . 1 . ]" 1
501 2 17 GLN QE 2 18 ALA H 5.340 . 5.340 5.158 3.840 5.489 0.149 2 0 "[ . 1 . ]" 1
502 2 18 ALA H 2 19 ALA H 3.190 . 3.190 2.744 2.594 3.049 . 0 0 "[ . 1 . ]" 1
503 2 18 ALA H 2 20 ALA H 4.590 . 4.590 4.489 4.416 4.532 . 0 0 "[ . 1 . ]" 1
504 2 19 ALA H 2 20 ALA H 3.480 . 3.480 2.699 2.594 2.791 . 0 0 "[ . 1 . ]" 1
505 2 19 ALA H 2 21 GLN H 5.260 . 5.260 4.069 3.882 4.244 . 0 0 "[ . 1 . ]" 1
506 2 20 ALA H 2 20 ALA MB 3.340 . 3.340 2.204 2.130 2.241 . 0 0 "[ . 1 . ]" 1
507 2 20 ALA H 2 22 VAL H 5.090 . 5.090 4.399 4.309 4.512 . 0 0 "[ . 1 . ]" 1
508 2 20 ALA MB 2 21 GLN H 3.200 . 3.200 2.436 2.275 2.570 . 0 0 "[ . 1 . ]" 1
509 2 21 GLN H 2 21 GLN QG 4.400 . 4.400 3.214 2.188 4.067 . 0 0 "[ . 1 . ]" 1
510 2 21 GLN H 2 22 VAL H 3.300 . 3.300 2.817 2.762 2.879 . 0 0 "[ . 1 . ]" 1
511 2 22 VAL H 2 22 VAL MG2 3.790 . 3.790 2.150 2.071 2.284 . 0 0 "[ . 1 . ]" 1
512 2 22 VAL MG1 2 23 ALA H 5.230 . 5.230 3.314 3.216 3.521 . 0 0 "[ . 1 . ]" 1
513 2 23 ALA H 2 24 SER H 3.150 . 3.150 2.790 2.650 2.898 . 0 0 "[ . 1 . ]" 1
514 2 23 ALA H 2 25 THR H 4.930 . 4.930 4.263 4.181 4.393 . 0 0 "[ . 1 . ]" 1
515 2 23 ALA MB 2 24 SER H 4.230 . 4.230 2.478 2.381 2.572 . 0 0 "[ . 1 . ]" 1
516 2 24 SER H 2 24 SER QB 2.800 . 2.800 2.331 2.218 2.491 . 0 0 "[ . 1 . ]" 1
517 2 24 SER H 2 25 THR H 3.340 . 3.340 2.751 2.710 2.834 . 0 0 "[ . 1 . ]" 1
518 2 24 SER HA 2 27 GLN H 4.970 . 4.970 3.503 3.332 3.682 . 0 0 "[ . 1 . ]" 1
519 2 24 SER QB 2 25 THR H 2.860 . 2.860 2.504 2.334 2.614 . 0 0 "[ . 1 . ]" 1
520 2 25 THR H 2 25 THR HB 3.200 . 3.200 2.867 2.469 3.556 0.356 12 0 "[ . 1 . ]" 1
521 2 25 THR H 2 26 LEU H 3.550 . 3.550 2.743 2.655 2.808 . 0 0 "[ . 1 . ]" 1
522 2 25 THR H 2 26 LEU HB2 5.050 . 5.050 4.775 4.574 4.949 . 0 0 "[ . 1 . ]" 1
523 2 25 THR H 2 27 GLN H 5.240 . 5.240 3.798 3.754 3.871 . 0 0 "[ . 1 . ]" 1
524 2 25 THR MG 2 26 LEU H 5.170 . 5.170 3.459 1.835 3.936 . 0 0 "[ . 1 . ]" 1
525 2 26 LEU H 2 26 LEU HB2 3.220 . 3.220 2.357 2.190 2.491 . 0 0 "[ . 1 . ]" 1
526 2 26 LEU H 2 26 LEU MD2 3.460 . 3.460 3.324 1.926 3.578 0.118 2 0 "[ . 1 . ]" 1
527 2 26 LEU H 2 26 LEU HG 5.000 . 5.000 2.890 2.047 3.941 . 0 0 "[ . 1 . ]" 1
528 2 26 LEU H 2 27 GLN H 3.320 . 3.320 2.568 2.518 2.637 . 0 0 "[ . 1 . ]" 1
529 2 26 LEU H 2 28 ALA H 5.240 . 5.240 4.689 4.547 4.856 . 0 0 "[ . 1 . ]" 1
530 2 26 LEU HB2 2 27 GLN H 3.880 . 3.880 3.091 2.999 3.194 . 0 0 "[ . 1 . ]" 1
531 2 26 LEU HB3 2 27 GLN H 4.220 . 4.220 3.886 3.618 4.030 . 0 0 "[ . 1 . ]" 1
532 2 26 LEU HG 2 27 GLN H 5.060 . 5.060 4.741 4.314 5.308 0.248 4 0 "[ . 1 . ]" 1
533 2 27 GLN H 2 27 GLN QB 3.270 . 3.270 2.280 2.263 2.293 . 0 0 "[ . 1 . ]" 1
534 2 27 GLN H 2 27 GLN QG 4.250 . 4.250 3.964 3.948 4.040 . 0 0 "[ . 1 . ]" 1
535 2 27 GLN H 2 28 ALA H 3.210 . 3.210 2.704 2.639 2.852 . 0 0 "[ . 1 . ]" 1
536 2 27 GLN H 2 29 LEU H 4.610 . 4.610 4.160 4.071 4.254 . 0 0 "[ . 1 . ]" 1
537 2 27 GLN QB 2 28 ALA H 3.390 . 3.390 2.166 1.971 2.280 . 0 0 "[ . 1 . ]" 1
538 2 28 ALA H 2 29 LEU H 3.160 . 3.160 2.890 2.861 2.915 . 0 0 "[ . 1 . ]" 1
539 2 28 ALA H 2 29 LEU QB 5.500 . 5.500 4.587 4.471 4.742 . 0 0 "[ . 1 . ]" 1
540 2 28 ALA HA 2 30 ALA H 5.000 . 5.000 4.071 3.854 4.347 . 0 0 "[ . 1 . ]" 1
541 2 28 ALA MB 2 29 LEU H 4.500 . 4.500 2.225 2.183 2.301 . 0 0 "[ . 1 . ]" 1
542 2 29 LEU H 2 29 LEU MD2 4.560 . 4.560 3.034 1.777 4.264 . 0 0 "[ . 1 . ]" 1
543 2 29 LEU H 2 29 LEU QB 3.410 . 3.410 2.304 2.181 2.479 . 0 0 "[ . 1 . ]" 1
544 2 29 LEU H 2 30 ALA H 2.700 . 2.700 2.829 2.761 2.875 0.175 7 0 "[ . 1 . ]" 1
545 2 29 LEU QB 2 30 ALA H 4.300 . 4.300 2.712 2.512 2.867 . 0 0 "[ . 1 . ]" 1
546 2 30 ALA H 2 31 THR H 4.500 . 4.500 3.981 3.251 4.558 0.058 7 0 "[ . 1 . ]" 1
547 2 30 ALA HA 2 31 THR H 4.000 . 4.000 3.179 2.652 3.556 . 0 0 "[ . 1 . ]" 1
548 2 30 ALA MB 2 31 THR H 3.900 . 3.900 1.795 1.681 2.119 . 0 0 "[ . 1 . ]" 1
549 2 32 PRO QB 2 33 SER H 4.020 . 4.020 2.246 1.988 2.467 . 0 0 "[ . 1 . ]" 1
550 2 33 SER H 2 33 SER QB 3.460 . 3.460 2.402 2.206 2.523 . 0 0 "[ . 1 . ]" 1
551 2 33 SER H 2 34 ARG H 3.680 . 3.680 2.817 2.748 2.969 . 0 0 "[ . 1 . ]" 1
552 2 33 SER HB2 2 34 ARG H 5.500 . 5.500 3.250 2.460 3.964 . 0 0 "[ . 1 . ]" 1
553 2 33 SER HB3 2 34 ARG H 5.500 . 5.500 3.313 2.434 3.862 . 0 0 "[ . 1 . ]" 1
554 2 34 ARG H 2 34 ARG QB 3.620 . 3.620 2.301 2.141 2.454 . 0 0 "[ . 1 . ]" 1
555 2 34 ARG H 2 34 ARG QG 4.440 . 4.440 3.120 2.057 4.058 . 0 0 "[ . 1 . ]" 1
556 2 34 ARG H 2 35 LEU H 3.500 . 3.500 2.682 2.481 2.786 . 0 0 "[ . 1 . ]" 1
557 2 35 LEU H 2 35 LEU QB 3.630 . 3.630 2.161 2.060 2.362 . 0 0 "[ . 1 . ]" 1
558 2 35 LEU H 2 36 MET H 3.090 . 3.090 2.813 2.714 2.881 . 0 0 "[ . 1 . ]" 1
559 2 35 LEU QB 2 38 LEU H 5.340 . 5.340 4.921 4.785 5.077 . 0 0 "[ . 1 . ]" 1
560 2 36 MET H 2 36 MET HB2 3.750 . 3.750 2.527 2.149 3.557 . 0 0 "[ . 1 . ]" 1
561 2 36 MET H 2 36 MET HB3 3.750 . 3.750 2.656 2.534 2.962 . 0 0 "[ . 1 . ]" 1
562 2 36 MET H 2 36 MET QG 4.420 . 4.420 3.732 1.820 4.052 . 0 0 "[ . 1 . ]" 1
563 2 36 MET H 2 37 ILE H 3.180 . 3.180 2.840 2.708 2.935 . 0 0 "[ . 1 . ]" 1
564 2 36 MET QB 2 37 ILE H 4.440 . 4.440 2.464 2.310 3.223 . 0 0 "[ . 1 . ]" 1
565 2 36 MET QB 2 38 LEU H 5.340 . 5.340 4.722 4.615 5.131 . 0 0 "[ . 1 . ]" 1
566 2 37 ILE H 2 37 ILE HB 4.040 . 4.040 2.455 2.406 2.578 . 0 0 "[ . 1 . ]" 1
567 2 37 ILE H 2 37 ILE QG 3.650 . 3.650 2.140 1.941 2.221 . 0 0 "[ . 1 . ]" 1
568 2 37 ILE H 2 38 LEU H 3.790 . 3.790 2.701 2.646 2.766 . 0 0 "[ . 1 . ]" 1
569 2 37 ILE H 2 38 LEU HA 5.500 . 5.500 5.303 5.248 5.367 . 0 0 "[ . 1 . ]" 1
570 2 37 ILE H 2 39 THR H 5.370 . 5.370 4.120 4.057 4.188 . 0 0 "[ . 1 . ]" 1
571 2 37 ILE HB 2 38 LEU H 3.330 . 3.330 2.535 2.422 2.604 . 0 0 "[ . 1 . ]" 1
572 2 38 LEU H 2 38 LEU QB 3.190 . 3.190 2.233 2.124 2.357 . 0 0 "[ . 1 . ]" 1
573 2 38 LEU H 2 39 THR H 3.830 . 3.830 2.672 2.614 2.722 . 0 0 "[ . 1 . ]" 1
574 2 38 LEU HA 2 41 LEU H 5.500 . 5.500 3.408 3.253 3.579 . 0 0 "[ . 1 . ]" 1
575 2 38 LEU HB2 2 39 THR H 5.270 . 5.270 3.124 2.629 3.905 . 0 0 "[ . 1 . ]" 1
576 2 38 LEU HB3 2 39 THR H 5.270 . 5.270 3.120 2.554 3.578 . 0 0 "[ . 1 . ]" 1
577 2 39 THR H 2 39 THR HB 4.010 . 4.010 2.890 2.503 3.581 . 0 0 "[ . 1 . ]" 1
578 2 39 THR H 2 39 THR MG 4.540 . 4.540 3.346 2.200 3.744 . 0 0 "[ . 1 . ]" 1
579 2 39 THR H 2 40 GLN H 3.470 . 3.470 2.686 2.607 2.782 . 0 0 "[ . 1 . ]" 1
580 2 39 THR H 2 41 LEU H 5.500 . 5.500 4.280 4.212 4.399 . 0 0 "[ . 1 . ]" 1
581 2 39 THR MG 2 40 GLN H 5.200 . 5.200 3.724 3.391 4.014 . 0 0 "[ . 1 . ]" 1
582 2 40 GLN H 2 40 GLN QB 3.430 . 3.430 2.286 2.069 2.439 . 0 0 "[ . 1 . ]" 1
583 2 40 GLN HB2 2 41 LEU H 4.500 . 4.500 2.997 2.424 3.978 . 0 0 "[ . 1 . ]" 1
584 2 40 GLN HB3 2 41 LEU H 4.500 . 4.500 3.078 2.339 3.568 . 0 0 "[ . 1 . ]" 1
585 2 40 GLN QB 2 41 LEU H 3.890 . 3.890 2.489 2.313 3.257 . 0 0 "[ . 1 . ]" 1
586 2 41 LEU H 2 41 LEU QB 3.070 . 3.070 2.262 2.162 2.411 . 0 0 "[ . 1 . ]" 1
587 2 41 LEU HA 2 43 ASN H 5.000 . 5.000 3.888 3.456 4.308 . 0 0 "[ . 1 . ]" 1
588 2 41 LEU HA 2 44 GLY H 3.880 . 3.880 3.453 3.046 3.909 0.029 18 0 "[ . 1 . ]" 1
589 2 42 ARG H 2 42 ARG QB 3.390 . 3.390 2.251 2.112 2.353 . 0 0 "[ . 1 . ]" 1
590 2 42 ARG QB 2 43 ASN H 3.510 . 3.510 2.725 2.474 3.041 . 0 0 "[ . 1 . ]" 1
591 2 43 ASN H 2 43 ASN QB 3.110 . 3.110 2.367 2.245 2.691 . 0 0 "[ . 1 . ]" 1
592 2 43 ASN H 2 44 GLY H 3.100 . 3.100 2.804 2.629 3.150 0.050 19 0 "[ . 1 . ]" 1
593 2 43 ASN QB 2 44 GLY H 4.310 . 4.310 2.653 1.806 4.034 . 0 0 "[ . 1 . ]" 1
594 2 46 LEU H 2 47 PRO QD 5.350 . 5.350 3.556 2.442 4.309 . 0 0 "[ . 1 . ]" 1
595 2 46 LEU H 2 86 TYR H . . 4.000 3.667 2.855 4.109 0.109 15 0 "[ . 1 . ]" 1
596 2 46 LEU H 2 86 TYR QB 5.320 . 5.320 4.607 4.000 5.219 . 0 0 "[ . 1 . ]" 1
597 2 46 LEU MD1 2 86 TYR H 5.500 . 5.500 4.708 2.995 5.511 0.011 6 0 "[ . 1 . ]" 1
598 2 47 PRO QB 2 48 VAL H 3.850 . 3.850 2.667 2.132 3.842 . 0 0 "[ . 1 . ]" 1
599 2 47 PRO QG 2 48 VAL H 5.000 . 5.000 4.329 3.876 4.925 . 0 0 "[ . 1 . ]" 1
600 2 48 VAL H 2 48 VAL HB 3.880 . 3.880 2.941 2.372 3.577 . 0 0 "[ . 1 . ]" 1
601 2 48 VAL H 2 48 VAL MG2 3.640 . 3.640 2.139 1.772 2.387 . 0 0 "[ . 1 . ]" 1
602 2 48 VAL H 2 49 THR H 4.570 . 4.570 2.715 2.419 2.899 . 0 0 "[ . 1 . ]" 1
603 2 48 VAL HB 2 49 THR H 3.610 . 3.610 2.993 2.052 3.878 0.269 10 0 "[ . 1 . ]" 1
604 2 48 VAL MG1 2 49 THR H 3.910 . 3.910 3.345 2.997 3.580 . 0 0 "[ . 1 . ]" 1
605 2 49 THR H 2 49 THR HB 3.750 . 3.750 3.044 2.563 3.665 . 0 0 "[ . 1 . ]" 1
606 2 49 THR H 2 49 THR MG 4.570 . 4.570 2.906 1.744 3.792 . 0 0 "[ . 1 . ]" 1
607 2 49 THR H 2 50 ASP H 3.610 . 3.610 2.788 2.608 3.120 . 0 0 "[ . 1 . ]" 1
608 2 49 THR H 2 52 ALA H 5.500 . 5.500 4.730 4.499 4.861 . 0 0 "[ . 1 . ]" 1
609 2 49 THR H 2 52 ALA MB 5.500 . 5.500 4.784 4.390 5.022 . 0 0 "[ . 1 . ]" 1
610 2 49 THR HB 2 50 ASP H 4.330 . 4.330 3.052 1.919 4.079 . 0 0 "[ . 1 . ]" 1
611 2 49 THR MG 2 50 ASP H 5.500 . 5.500 3.352 1.808 3.908 . 0 0 "[ . 1 . ]" 1
612 2 50 ASP H 2 50 ASP QB 3.400 . 3.400 2.250 2.074 2.425 . 0 0 "[ . 1 . ]" 1
613 2 50 ASP H 2 51 LEU H 3.410 . 3.410 2.633 2.474 2.921 . 0 0 "[ . 1 . ]" 1
614 2 50 ASP H 2 51 LEU QB 5.310 . 5.310 4.386 4.231 4.825 . 0 0 "[ . 1 . ]" 1
615 2 50 ASP H 2 52 ALA H 5.500 . 5.500 4.148 3.884 4.396 . 0 0 "[ . 1 . ]" 1
616 2 50 ASP QB 2 51 LEU H 4.360 . 4.360 2.620 2.512 2.770 . 0 0 "[ . 1 . ]" 1
617 2 51 LEU H 2 51 LEU QB 3.250 . 3.250 2.198 2.104 2.340 . 0 0 "[ . 1 . ]" 1
618 2 51 LEU H 2 52 ALA H 3.520 . 3.520 2.683 2.623 2.772 . 0 0 "[ . 1 . ]" 1
619 2 51 LEU MD2 2 54 ALA H 4.870 . 4.870 4.449 3.707 4.886 0.016 11 0 "[ . 1 . ]" 1
620 2 51 LEU MD2 2 55 ILE H 4.860 . 4.860 3.895 2.734 4.694 . 0 0 "[ . 1 . ]" 1
621 2 51 LEU QB 2 52 ALA H 4.100 . 4.100 2.582 2.432 2.861 . 0 0 "[ . 1 . ]" 1
622 2 51 LEU QB 2 54 ALA H 5.340 . 5.340 4.964 4.669 5.105 . 0 0 "[ . 1 . ]" 1
623 2 52 ALA H 2 52 ALA MB 3.620 . 3.620 2.202 2.164 2.227 . 0 0 "[ . 1 . ]" 1
624 2 52 ALA H 2 53 GLU H 3.420 . 3.420 2.710 2.604 2.857 . 0 0 "[ . 1 . ]" 1
625 2 52 ALA H 2 54 ALA H 4.800 . 4.800 4.153 3.915 4.369 . 0 0 "[ . 1 . ]" 1
626 2 52 ALA H 2 55 ILE H 5.500 . 5.500 4.863 4.594 5.399 . 0 0 "[ . 1 . ]" 1
627 2 52 ALA HA 2 55 ILE H 4.340 . 4.340 3.559 3.064 4.024 . 0 0 "[ . 1 . ]" 1
628 2 52 ALA HA 2 56 GLY H 2.770 . 2.770 2.759 2.238 3.032 0.262 19 0 "[ . 1 . ]" 1
629 2 52 ALA HA 2 57 MET H 3.580 . 3.580 2.744 1.792 3.590 0.010 8 0 "[ . 1 . ]" 1
630 2 52 ALA MB 2 56 GLY H 4.690 . 4.690 3.900 3.440 4.370 . 0 0 "[ . 1 . ]" 1
631 2 52 ALA MB 2 57 MET H 3.750 . 3.750 2.306 1.888 2.862 . 0 0 "[ . 1 . ]" 1
632 2 52 ALA MB 2 59 GLN H . . 3.800 3.289 2.176 3.893 0.093 6 0 "[ . 1 . ]" 1
633 2 52 ALA MB 2 53 GLU H 4.030 . 4.030 2.399 2.299 2.526 . 0 0 "[ . 1 . ]" 1
634 2 53 GLU H 2 53 GLU QB 3.080 . 3.080 2.310 2.232 2.478 . 0 0 "[ . 1 . ]" 1
635 2 53 GLU H 2 53 GLU QG 4.490 . 4.490 3.282 2.010 4.067 . 0 0 "[ . 1 . ]" 1
636 2 53 GLU H 2 54 ALA H 3.210 . 3.210 2.766 2.565 2.874 . 0 0 "[ . 1 . ]" 1
637 2 53 GLU HA 2 56 GLY H 5.160 . 5.160 4.921 4.298 5.358 0.198 15 0 "[ . 1 . ]" 1
638 2 53 GLU HA 2 57 MET H 5.440 . 5.440 4.552 3.609 5.185 . 0 0 "[ . 1 . ]" 1
639 2 53 GLU QB 2 54 ALA H 3.330 . 3.330 2.526 2.317 2.831 . 0 0 "[ . 1 . ]" 1
640 2 54 ALA H 2 55 ILE H 3.390 . 3.390 2.786 2.512 3.031 . 0 0 "[ . 1 . ]" 1
641 2 54 ALA H 2 56 GLY H 5.380 . 5.380 4.723 3.819 5.226 . 0 0 "[ . 1 . ]" 1
642 2 55 ILE H 2 55 ILE HB 3.980 . 3.980 2.815 2.379 3.928 . 0 0 "[ . 1 . ]" 1
643 2 55 ILE H 2 55 ILE QG 4.500 . 4.500 2.801 2.190 4.187 . 0 0 "[ . 1 . ]" 1
644 2 55 ILE H 2 56 GLY H 3.020 . 3.020 2.654 1.540 3.226 0.206 3 0 "[ . 1 . ]" 1
645 2 55 ILE HB 2 56 GLY H 4.830 . 4.830 2.722 1.903 4.593 . 0 0 "[ . 1 . ]" 1
646 2 55 ILE QG 2 56 GLY H 4.770 . 4.770 3.702 2.426 3.964 . 0 0 "[ . 1 . ]" 1
647 2 56 GLY H 2 58 GLU H 5.500 . 5.500 4.765 3.937 5.670 0.170 6 0 "[ . 1 . ]" 1
648 2 57 MET H 2 58 GLU H 3.930 . 3.930 3.223 2.622 4.360 0.430 6 0 "[ . 1 . ]" 1
649 2 57 MET H 2 59 GLN HG2 5.000 . 5.000 5.157 4.547 5.451 0.451 7 0 "[ . 1 . ]" 1
650 2 58 GLU H 2 58 GLU QB 3.530 . 3.530 2.955 2.771 3.261 . 0 0 "[ . 1 . ]" 1
651 2 58 GLU H 2 59 GLN H 4.470 . 4.470 2.148 1.497 3.324 . 0 0 "[ . 1 . ]" 1
652 2 58 GLU H 2 59 GLN HG2 3.600 . 3.600 3.509 2.683 3.872 0.272 6 0 "[ . 1 . ]" 1
653 2 58 GLU H 2 59 GLN QE 5.340 . 5.340 4.723 2.065 5.396 0.056 2 0 "[ . 1 . ]" 1
654 2 59 GLN H 2 59 GLN HG2 3.570 . 3.570 2.448 1.750 3.190 . 0 0 "[ . 1 . ]" 1
655 2 59 GLN H 2 59 GLN QB 3.630 . 3.630 2.710 2.524 2.953 . 0 0 "[ . 1 . ]" 1
656 2 59 GLN H 2 59 GLN QE 5.340 . 5.340 3.963 2.186 4.751 . 0 0 "[ . 1 . ]" 1
657 2 59 GLN H 2 61 ALA H 5.500 . 5.500 4.409 4.223 4.597 . 0 0 "[ . 1 . ]" 1
658 2 59 GLN HA 2 61 ALA H 5.030 . 5.030 4.408 4.168 4.604 . 0 0 "[ . 1 . ]" 1
659 2 59 GLN QB 2 62 VAL H 4.500 . 4.500 4.753 4.638 4.984 0.484 7 0 "[ . 1 . ]" 1
660 2 59 GLN QB 2 63 SER H 5.000 . 5.000 4.510 4.249 4.674 . 0 0 "[ . 1 . ]" 1
661 2 60 SER H 2 61 ALA H 4.460 . 4.460 2.624 2.486 2.782 . 0 0 "[ . 1 . ]" 1
662 2 61 ALA H 2 62 VAL H 3.030 . 3.030 2.613 2.562 2.720 . 0 0 "[ . 1 . ]" 1
663 2 61 ALA H 2 63 SER H 4.500 . 4.500 4.418 4.201 4.541 0.041 10 0 "[ . 1 . ]" 1
664 2 61 ALA HA 2 63 SER H 5.500 . 5.500 4.798 4.651 4.916 . 0 0 "[ . 1 . ]" 1
665 2 61 ALA MB 2 62 VAL H 4.240 . 4.240 2.706 2.564 2.798 . 0 0 "[ . 1 . ]" 1
666 2 62 VAL H 2 62 VAL HB 4.160 . 4.160 2.503 2.348 3.577 . 0 0 "[ . 1 . ]" 1
667 2 62 VAL H 2 62 VAL MG2 4.110 . 4.110 2.204 1.627 3.718 . 0 0 "[ . 1 . ]" 1
668 2 62 VAL H 2 63 SER H 3.170 . 3.170 2.669 2.598 2.752 . 0 0 "[ . 1 . ]" 1
669 2 62 VAL HB 2 63 SER H 4.820 . 4.820 2.490 2.281 3.832 . 0 0 "[ . 1 . ]" 1
670 2 63 SER H 2 63 SER HA 2.930 . 2.930 2.798 2.779 2.817 . 0 0 "[ . 1 . ]" 1
671 2 63 SER H 2 64 HIS H 3.410 . 3.410 2.764 2.721 2.818 . 0 0 "[ . 1 . ]" 1
672 2 63 SER H 2 64 HIS HA 5.500 . 5.500 5.367 5.327 5.410 . 0 0 "[ . 1 . ]" 1
673 2 64 HIS H 2 64 HIS QB 3.190 . 3.190 2.291 2.243 2.368 . 0 0 "[ . 1 . ]" 1
674 2 64 HIS QB 2 65 GLN H 3.790 . 3.790 2.396 2.309 2.552 . 0 0 "[ . 1 . ]" 1
675 2 65 GLN H 2 65 GLN QB 3.390 . 3.390 2.278 2.071 2.353 . 0 0 "[ . 1 . ]" 1
676 2 65 GLN H 2 66 LEU H 3.380 . 3.380 2.673 2.597 2.793 . 0 0 "[ . 1 . ]" 1
677 2 65 GLN HA 2 67 ARG H 4.600 . 4.600 4.451 4.391 4.569 . 0 0 "[ . 1 . ]" 1
678 2 65 GLN HB2 2 66 LEU H 4.610 . 4.610 3.144 2.644 3.893 . 0 0 "[ . 1 . ]" 1
679 2 65 GLN HB3 2 66 LEU H 4.610 . 4.610 3.168 2.380 3.715 . 0 0 "[ . 1 . ]" 1
680 2 65 GLN QB 2 66 LEU H 3.880 . 3.880 2.610 2.354 2.798 . 0 0 "[ . 1 . ]" 1
681 2 66 LEU H 2 66 LEU MD1 5.220 . 5.220 4.031 3.585 4.285 . 0 0 "[ . 1 . ]" 1
682 2 66 LEU H 2 66 LEU HG 4.730 . 4.730 4.140 1.907 4.445 . 0 0 "[ . 1 . ]" 1
683 2 66 LEU H 2 66 LEU QB 3.630 . 3.630 2.234 2.129 2.590 . 0 0 "[ . 1 . ]" 1
684 2 66 LEU H 2 67 ARG H 3.330 . 3.330 2.680 2.541 2.735 . 0 0 "[ . 1 . ]" 1
685 2 66 LEU MD2 2 67 ARG H 5.500 . 5.500 3.842 2.856 4.358 . 0 0 "[ . 1 . ]" 1
686 2 66 LEU HG 2 67 ARG H 4.950 . 4.950 4.243 3.525 5.098 0.148 13 0 "[ . 1 . ]" 1
687 2 66 LEU QB 2 67 ARG H 4.010 . 4.010 2.510 2.434 2.671 . 0 0 "[ . 1 . ]" 1
688 2 67 ARG H 2 67 ARG HD2 5.500 . 5.500 4.493 3.877 5.889 0.389 7 0 "[ . 1 . ]" 1
689 2 67 ARG H 2 67 ARG HD3 5.500 . 5.500 4.679 3.863 5.057 . 0 0 "[ . 1 . ]" 1
690 2 67 ARG H 2 68 VAL H 3.400 . 3.400 2.722 2.673 2.822 . 0 0 "[ . 1 . ]" 1
691 2 67 ARG H 2 69 LEU H 4.610 . 4.610 4.445 4.250 4.520 . 0 0 "[ . 1 . ]" 1
692 2 68 VAL H 2 69 LEU H 3.430 . 3.430 2.790 2.612 2.870 . 0 0 "[ . 1 . ]" 1
693 2 68 VAL H 2 70 ARG H 5.220 . 5.220 3.933 3.814 4.139 . 0 0 "[ . 1 . ]" 1
694 2 68 VAL MG1 2 69 LEU H 4.530 . 4.530 3.028 1.726 3.795 . 0 0 "[ . 1 . ]" 1
695 2 69 LEU H 2 69 LEU MD2 5.160 . 5.160 3.384 1.833 3.932 . 0 0 "[ . 1 . ]" 1
696 2 69 LEU H 2 69 LEU QB 2.930 . 2.930 2.321 2.041 2.453 . 0 0 "[ . 1 . ]" 1
697 2 69 LEU H 2 70 ARG H 3.560 . 3.560 2.692 2.536 2.858 . 0 0 "[ . 1 . ]" 1
698 2 69 LEU HA 2 71 ASN H 5.480 . 5.480 4.277 4.071 4.525 . 0 0 "[ . 1 . ]" 1
699 2 69 LEU HA 2 72 LEU H 4.610 . 4.610 3.393 3.223 3.749 . 0 0 "[ . 1 . ]" 1
700 2 69 LEU QB 2 70 ARG H 2.820 . 2.820 2.676 2.513 3.040 0.220 4 0 "[ . 1 . ]" 1
701 2 70 ARG H 2 70 ARG QB 3.450 . 3.450 2.253 2.128 2.336 . 0 0 "[ . 1 . ]" 1
702 2 70 ARG H 2 71 ASN H 3.290 . 3.290 2.738 2.620 2.831 . 0 0 "[ . 1 . ]" 1
703 2 70 ARG H 2 72 LEU H 4.640 . 4.640 4.287 4.065 4.451 . 0 0 "[ . 1 . ]" 1
704 2 70 ARG HA 2 73 GLY H 4.140 . 4.140 3.497 3.210 4.404 0.264 4 0 "[ . 1 . ]" 1
705 2 70 ARG QB 2 71 ASN H 4.180 . 4.180 2.560 2.478 2.665 . 0 0 "[ . 1 . ]" 1
706 2 70 ARG QG 2 71 ASN H 5.030 . 5.030 3.796 3.564 4.489 . 0 0 "[ . 1 . ]" 1
707 2 71 ASN H 2 71 ASN QB 3.320 . 3.320 2.332 2.238 2.518 . 0 0 "[ . 1 . ]" 1
708 2 71 ASN H 2 72 LEU H 3.360 . 3.360 2.734 2.619 2.844 . 0 0 "[ . 1 . ]" 1
709 2 71 ASN H 2 72 LEU MD2 5.500 . 5.500 4.041 3.624 4.397 . 0 0 "[ . 1 . ]" 1
710 2 71 ASN H 2 73 GLY H 5.310 . 5.310 4.126 3.741 4.928 . 0 0 "[ . 1 . ]" 1
711 2 71 ASN QB 2 72 LEU H 3.940 . 3.940 2.482 2.324 2.666 . 0 0 "[ . 1 . ]" 1
712 2 72 LEU H 2 72 LEU MD2 3.260 . 3.260 2.250 1.789 2.689 . 0 0 "[ . 1 . ]" 1
713 2 72 LEU H 2 72 LEU QB 2.910 . 2.910 2.552 2.225 3.243 0.333 5 0 "[ . 1 . ]" 1
714 2 72 LEU HB2 2 73 GLY H 4.590 . 4.590 2.759 2.326 4.199 . 0 0 "[ . 1 . ]" 1
715 2 72 LEU HB3 2 73 GLY H 4.590 . 4.590 3.780 2.951 4.589 . 0 0 "[ . 1 . ]" 1
716 2 72 LEU QB 2 73 GLY H 3.990 . 3.990 2.684 2.244 3.888 . 0 0 "[ . 1 . ]" 1
717 2 73 GLY H 2 75 VAL H 5.000 . 5.000 3.966 3.523 4.557 . 0 0 "[ . 1 . ]" 1
718 2 74 LEU H 2 74 LEU QB 3.680 . 3.680 2.596 2.241 3.433 . 0 0 "[ . 1 . ]" 1
719 2 74 LEU H 2 75 VAL H 2.850 . 2.850 2.090 1.459 3.097 0.247 1 0 "[ . 1 . ]" 1
720 2 74 LEU QB 2 75 VAL H 4.390 . 4.390 3.195 2.829 3.914 . 0 0 "[ . 1 . ]" 1
721 2 75 VAL H 2 76 VAL H 5.500 . 5.500 4.424 4.402 4.440 . 0 0 "[ . 1 . ]" 1
722 2 75 VAL H 2 76 VAL HA 5.500 . 5.500 4.837 4.747 4.928 . 0 0 "[ . 1 . ]" 1
723 2 75 VAL H 2 89 TYR H . . 4.000 4.083 3.899 4.314 0.314 4 0 "[ . 1 . ]" 1
724 2 75 VAL H 2 89 TYR HB2 5.500 . 5.500 3.400 3.222 3.780 . 0 0 "[ . 1 . ]" 1
725 2 75 VAL H 2 89 TYR HB3 5.500 . 5.500 4.772 3.927 5.234 . 0 0 "[ . 1 . ]" 1
726 2 75 VAL H 2 89 TYR QD . . 5.000 4.169 3.283 5.122 0.122 12 0 "[ . 1 . ]" 1
727 2 76 VAL H 2 76 VAL HB 3.870 . 3.870 2.775 2.600 3.794 . 0 0 "[ . 1 . ]" 1
728 2 76 VAL H 2 76 VAL MG2 3.910 . 3.910 3.014 2.286 3.207 . 0 0 "[ . 1 . ]" 1
729 2 76 VAL H 2 77 GLY H 5.500 . 5.500 4.403 4.368 4.475 . 0 0 "[ . 1 . ]" 1
730 2 76 VAL H 2 87 SER H 3.300 . 3.300 3.285 3.013 3.456 0.156 12 0 "[ . 1 . ]" 1
731 2 76 VAL H 2 89 TYR H 5.360 . 5.360 3.559 3.330 3.731 . 0 0 "[ . 1 . ]" 1
732 2 76 VAL HA 2 89 TYR H 5.480 . 5.480 5.721 5.594 5.874 0.394 18 0 "[ . 1 . ]" 1
733 2 76 VAL HB 2 77 GLY H 3.810 . 3.810 3.753 2.191 4.077 0.267 9 0 "[ . 1 . ]" 1
734 2 76 VAL HB 2 87 SER H 4.500 . 4.500 4.551 4.146 4.910 0.410 6 0 "[ . 1 . ]" 1
735 2 76 VAL MG1 2 77 GLY H 4.730 . 4.730 1.961 1.662 3.178 . 0 0 "[ . 1 . ]" 1
736 2 77 GLY H 2 78 ASP H 4.520 . 4.520 4.430 4.253 4.534 0.014 7 0 "[ . 1 . ]" 1
737 2 77 GLY H 2 87 SER H . . 4.900 4.825 4.637 4.997 0.097 9 0 "[ . 1 . ]" 1
738 2 77 GLY QA 2 78 ASP H 2.800 . 2.800 2.194 2.111 2.277 . 0 0 "[ . 1 . ]" 1
739 2 77 GLY QA 2 87 SER H 5.340 . 5.340 3.015 2.674 3.350 . 0 0 "[ . 1 . ]" 1
740 2 78 ASP H 2 78 ASP QB 3.640 . 3.640 2.538 2.370 3.135 . 0 0 "[ . 1 . ]" 1
741 2 78 ASP H 2 87 SER H 5.500 . 5.500 4.827 4.462 5.230 . 0 0 "[ . 1 . ]" 1
742 2 78 ASP HA 2 79 ARG H 3.170 . 3.170 2.160 2.132 2.222 . 0 0 "[ . 1 . ]" 1
743 2 78 ASP HB2 2 79 ARG H 4.970 . 4.970 4.317 3.760 4.570 . 0 0 "[ . 1 . ]" 1
744 2 78 ASP HB3 2 79 ARG H 4.970 . 4.970 3.781 2.903 4.375 . 0 0 "[ . 1 . ]" 1
745 2 78 ASP QB 2 79 ARG H 4.280 . 4.280 3.517 2.841 3.973 . 0 0 "[ . 1 . ]" 1
746 2 79 ARG H 2 79 ARG QB 3.550 . 3.550 2.377 2.263 2.854 . 0 0 "[ . 1 . ]" 1
747 2 79 ARG H 2 80 ALA H 4.850 . 4.850 4.545 4.458 4.631 . 0 0 "[ . 1 . ]" 1
748 2 79 ARG HA 2 80 ALA H 3.050 . 3.050 2.188 2.128 2.384 . 0 0 "[ . 1 . ]" 1
749 2 79 ARG HB2 2 80 ALA H 5.320 . 5.320 3.971 2.768 4.344 . 0 0 "[ . 1 . ]" 1
750 2 79 ARG HB3 2 80 ALA H 5.320 . 5.320 3.907 2.454 4.237 . 0 0 "[ . 1 . ]" 1
751 2 79 ARG HD2 2 80 ALA H 5.500 . 5.500 5.023 3.525 5.772 0.272 14 0 "[ . 1 . ]" 1
752 2 79 ARG HD3 2 80 ALA H 5.500 . 5.500 5.202 3.620 5.910 0.410 17 0 "[ . 1 . ]" 1
753 2 79 ARG QG 2 80 ALA H 4.570 . 4.570 3.012 2.236 4.719 0.149 2 0 "[ . 1 . ]" 1
754 2 80 ALA H 2 81 GLY H 5.290 . 5.290 4.026 3.594 4.430 . 0 0 "[ . 1 . ]" 1
755 2 80 ALA H 2 82 ARG H 5.500 . 5.500 4.981 3.770 5.598 0.098 8 0 "[ . 1 . ]" 1
756 2 80 ALA H 2 83 SER H 4.320 . 4.320 3.246 2.797 3.844 . 0 0 "[ . 1 . ]" 1
757 2 80 ALA H 2 83 SER HB2 5.500 . 5.500 5.313 3.815 5.639 0.139 17 0 "[ . 1 . ]" 1
758 2 80 ALA H 2 83 SER HB3 5.500 . 5.500 5.214 4.150 5.657 0.157 14 0 "[ . 1 . ]" 1
759 2 80 ALA HA 2 83 SER H 5.010 . 5.010 4.652 4.209 5.093 0.083 2 0 "[ . 1 . ]" 1
760 2 80 ALA MB 2 81 GLY H 5.250 . 5.250 3.188 2.730 3.596 . 0 0 "[ . 1 . ]" 1
761 2 80 ALA MB 2 83 SER H 5.500 . 5.500 3.363 2.163 4.303 . 0 0 "[ . 1 . ]" 1
762 2 81 GLY QA 2 83 SER H 4.590 . 4.590 3.854 3.363 4.397 . 0 0 "[ . 1 . ]" 1
763 2 82 ARG H 2 82 ARG HG2 5.500 . 5.500 3.500 1.888 4.655 . 0 0 "[ . 1 . ]" 1
764 2 82 ARG H 2 82 ARG HG3 5.500 . 5.500 3.497 2.032 4.685 . 0 0 "[ . 1 . ]" 1
765 2 82 ARG H 2 83 SER H 3.820 . 3.820 2.625 1.642 3.196 . 0 0 "[ . 1 . ]" 1
766 2 82 ARG QB 2 83 SER H 4.450 . 4.450 3.458 2.130 4.040 . 0 0 "[ . 1 . ]" 1
767 2 83 SER H 2 83 SER QB 3.530 . 3.530 2.891 2.579 3.211 . 0 0 "[ . 1 . ]" 1
768 2 83 SER H 2 84 ILE H 4.100 . 4.100 4.257 4.067 4.356 0.256 6 0 "[ . 1 . ]" 1
769 2 83 SER HA 2 84 ILE H 3.010 . 3.010 2.328 2.126 2.575 . 0 0 "[ . 1 . ]" 1
770 2 84 ILE H 2 84 ILE HB 3.780 . 3.780 3.424 3.020 3.915 0.135 18 0 "[ . 1 . ]" 1
771 2 84 ILE HB 2 85 VAL H 4.520 . 4.520 3.599 2.685 4.180 . 0 0 "[ . 1 . ]" 1
772 2 84 ILE MD 2 85 VAL H 4.010 . 4.010 2.191 1.788 2.796 . 0 0 "[ . 1 . ]" 1
773 2 84 ILE MD 2 86 TYR H 5.500 . 5.500 4.025 2.978 4.871 . 0 0 "[ . 1 . ]" 1
774 2 85 VAL HA 2 86 TYR H 3.500 . 3.500 2.190 2.122 2.347 . 0 0 "[ . 1 . ]" 1
775 2 85 VAL HB 2 86 TYR H 4.250 . 4.250 3.805 2.514 4.306 0.056 17 0 "[ . 1 . ]" 1
776 2 85 VAL MG1 2 86 TYR H 4.630 . 4.630 2.822 1.967 3.734 . 0 0 "[ . 1 . ]" 1
777 2 86 TYR H 2 86 TYR QB 3.450 . 3.450 2.466 2.296 2.781 . 0 0 "[ . 1 . ]" 1
778 2 86 TYR H 2 87 SER H 5.280 . 5.280 4.474 4.445 4.497 . 0 0 "[ . 1 . ]" 1
779 2 87 SER HB2 2 88 LEU H 4.930 . 4.930 3.059 2.245 3.889 . 0 0 "[ . 1 . ]" 1
780 2 87 SER HB3 2 88 LEU H 4.930 . 4.930 3.113 2.253 3.924 . 0 0 "[ . 1 . ]" 1
781 2 87 SER QB 2 88 LEU H 4.270 . 4.270 2.479 2.225 3.178 . 0 0 "[ . 1 . ]" 1
782 2 88 LEU H 2 88 LEU QB 3.600 . 3.600 2.508 2.209 2.916 . 0 0 "[ . 1 . ]" 1
783 2 88 LEU H 2 89 TYR H 5.500 . 5.500 4.615 4.559 4.656 . 0 0 "[ . 1 . ]" 1
784 2 89 TYR H 2 89 TYR QB 3.170 . 3.170 2.217 2.120 2.256 . 0 0 "[ . 1 . ]" 1
785 2 93 VAL H 2 93 VAL HB 3.990 . 3.990 2.869 2.431 3.591 . 0 0 "[ . 1 . ]" 1
786 2 93 VAL H 2 94 ALA H 3.800 . 3.800 2.796 2.623 2.889 . 0 0 "[ . 1 . ]" 1
787 2 93 VAL H 2 94 ALA MB 5.500 . 5.500 4.413 4.266 4.505 . 0 0 "[ . 1 . ]" 1
788 2 93 VAL HB 2 94 ALA H 4.860 . 4.860 3.381 2.557 4.000 . 0 0 "[ . 1 . ]" 1
789 2 93 VAL MG1 2 94 ALA H 4.930 . 4.930 3.119 1.785 3.971 . 0 0 "[ . 1 . ]" 1
790 2 94 ALA H 2 95 GLN H 3.600 . 3.600 2.687 2.529 2.817 . 0 0 "[ . 1 . ]" 1
791 2 94 ALA H 2 96 LEU H 5.500 . 5.500 4.225 4.086 4.431 . 0 0 "[ . 1 . ]" 1
792 2 94 ALA MB 2 95 GLN H . . 4.090 2.521 2.306 2.663 . 0 0 "[ . 1 . ]" 1
793 2 94 ALA MB 2 96 LEU H 5.500 . 5.500 4.572 4.415 4.812 . 0 0 "[ . 1 . ]" 1
794 2 95 GLN H 2 95 GLN QB 3.310 . 3.310 2.309 2.233 2.445 . 0 0 "[ . 1 . ]" 1
795 2 95 GLN H 2 95 GLN QG 4.160 . 4.160 3.328 2.074 4.058 . 0 0 "[ . 1 . ]" 1
796 2 95 GLN H 2 96 LEU H 3.360 . 3.360 2.706 2.633 2.789 . 0 0 "[ . 1 . ]" 1
797 2 95 GLN HG2 2 96 LEU H 5.500 . 5.500 4.353 3.614 4.957 . 0 0 "[ . 1 . ]" 1
798 2 95 GLN HG3 2 96 LEU H 5.500 . 5.500 4.373 3.769 4.868 . 0 0 "[ . 1 . ]" 1
799 2 95 GLN QB 2 96 LEU H 3.900 . 3.900 2.461 2.287 2.573 . 0 0 "[ . 1 . ]" 1
800 2 96 LEU H 2 96 LEU HG 4.640 . 4.640 3.953 1.866 4.457 . 0 0 "[ . 1 . ]" 1
801 2 96 LEU H 2 97 LEU H 3.470 . 3.470 2.722 2.599 2.801 . 0 0 "[ . 1 . ]" 1
802 2 96 LEU HB2 2 97 LEU H 4.320 . 4.320 3.322 2.469 3.809 . 0 0 "[ . 1 . ]" 1
803 2 96 LEU HB3 2 97 LEU H 4.320 . 4.320 2.911 2.431 3.908 . 0 0 "[ . 1 . ]" 1
804 2 96 LEU QB 2 97 LEU H 3.710 . 3.710 2.528 2.400 3.403 . 0 0 "[ . 1 . ]" 1
805 2 97 LEU H 2 101 ILE H 5.500 . 5.500 5.729 5.618 5.900 0.400 15 0 "[ . 1 . ]" 1
806 2 97 LEU H 2 97 LEU QB 2.970 . 2.970 2.291 2.157 2.392 . 0 0 "[ . 1 . ]" 1
807 2 97 LEU H 2 98 ASP H 3.470 . 3.470 2.609 2.560 2.638 . 0 0 "[ . 1 . ]" 1
808 2 97 LEU QB 2 98 ASP H 3.380 . 3.380 2.632 2.538 2.761 . 0 0 "[ . 1 . ]" 1
809 2 98 ASP H 2 101 ILE H 4.850 . 4.850 4.656 4.561 4.763 . 0 0 "[ . 1 . ]" 1
810 2 98 ASP H 2 98 ASP QB 3.600 . 3.600 2.298 2.210 2.367 . 0 0 "[ . 1 . ]" 1
811 2 98 ASP QB 2 99 GLU H 2.960 . 2.960 2.514 2.425 2.666 . 0 0 "[ . 1 . ]" 1
812 2 99 GLU H 2 99 GLU QB 3.540 . 3.540 2.306 2.120 2.395 . 0 0 "[ . 1 . ]" 1
813 2 99 GLU H 2 100 ALA H 2.950 . 2.950 2.676 2.554 2.739 . 0 0 "[ . 1 . ]" 1
814 2 99 GLU HG2 2 100 ALA H 5.420 . 5.420 4.627 4.246 5.000 . 0 0 "[ . 1 . ]" 1
815 2 99 GLU HG3 2 100 ALA H 5.420 . 5.420 4.692 4.172 4.962 . 0 0 "[ . 1 . ]" 1
816 2 99 GLU QB 2 100 ALA H 4.360 . 4.360 2.413 2.277 2.555 . 0 0 "[ . 1 . ]" 1
817 2 101 ILE H 2 101 ILE HB 3.340 . 3.340 2.356 2.191 2.423 . 0 0 "[ . 1 . ]" 1
818 2 101 ILE H 2 101 ILE QG 3.720 . 3.720 2.689 2.257 4.033 0.313 12 0 "[ . 1 . ]" 1
819 2 101 ILE HA 2 104 SER H 5.500 . 5.500 3.470 3.280 3.635 . 0 0 "[ . 1 . ]" 1
820 2 101 ILE HB 2 102 TYR H 3.260 . 3.260 2.740 2.516 3.656 0.396 17 0 "[ . 1 . ]" 1
821 2 101 ILE MD 2 104 SER H 5.500 . 5.500 5.062 4.243 5.329 . 0 0 "[ . 1 . ]" 1
822 2 101 ILE MD 2 105 GLU H 5.500 . 5.500 4.883 2.973 5.276 . 0 0 "[ . 1 . ]" 1
823 2 102 TYR H 2 102 TYR HD1 5.500 . 5.500 3.917 2.106 4.750 . 0 0 "[ . 1 . ]" 1
824 2 102 TYR H 2 102 TYR QB 3.380 . 3.380 2.229 2.184 2.257 . 0 0 "[ . 1 . ]" 1
825 2 102 TYR QB 2 103 HIS H 3.960 . 3.960 2.528 2.359 2.694 . 0 0 "[ . 1 . ]" 1
826 2 103 HIS H 2 103 HIS QB 3.260 . 3.260 2.274 2.059 2.439 . 0 0 "[ . 1 . ]" 1
827 2 103 HIS H 2 104 SER H 3.540 . 3.540 2.660 2.540 2.790 . 0 0 "[ . 1 . ]" 1
828 2 103 HIS H 2 104 SER HB2 5.500 . 5.500 5.106 4.715 5.498 . 0 0 "[ . 1 . ]" 1
829 2 103 HIS H 2 104 SER HB3 5.500 . 5.500 4.889 4.582 5.171 . 0 0 "[ . 1 . ]" 1
830 2 103 HIS H 2 104 SER QB 4.740 . 4.740 4.425 4.279 4.595 . 0 0 "[ . 1 . ]" 1
831 2 103 HIS QB 2 104 SER H 3.810 . 3.810 2.656 2.441 3.191 . 0 0 "[ . 1 . ]" 1
832 2 104 SER H 2 104 SER QB 2.920 . 2.920 2.230 2.176 2.274 . 0 0 "[ . 1 . ]" 1
833 2 104 SER H 2 105 GLU H 3.590 . 3.590 2.591 2.429 2.808 . 0 0 "[ . 1 . ]" 1
834 2 104 SER QB 2 105 GLU H 3.490 . 3.490 2.512 2.317 2.686 . 0 0 "[ . 1 . ]" 1
835 2 105 GLU H 2 105 GLU QB 3.200 . 3.200 2.283 2.216 2.403 . 0 0 "[ . 1 . ]" 1
836 2 105 GLU H 2 105 GLU QG 4.600 . 4.600 3.534 2.254 4.054 . 0 0 "[ . 1 . ]" 1
837 2 105 GLU H 2 106 HIS H 3.010 . 3.010 2.647 2.537 2.753 . 0 0 "[ . 1 . ]" 1
838 2 106 HIS H 2 106 HIS QB 3.430 . 3.430 2.272 2.177 2.450 . 0 0 "[ . 1 . ]" 1
839 2 106 HIS H 2 107 LEU H 3.010 . 3.010 2.892 2.513 3.188 0.178 3 0 "[ . 1 . ]" 1
840 2 106 HIS QB 2 107 LEU H 4.030 . 4.030 2.630 1.865 3.506 . 0 0 "[ . 1 . ]" 1
841 2 107 LEU H 2 107 LEU QB 2.730 . 2.730 2.536 2.089 3.158 0.428 7 0 "[ . 1 . ]" 1
842 2 107 LEU H 2 108 HIS H 3.820 . 3.820 3.505 2.483 4.128 0.308 12 0 "[ . 1 . ]" 1
843 2 107 LEU QB 2 108 HIS H 4.230 . 4.230 2.923 1.711 4.029 . 0 0 "[ . 1 . ]" 1
844 2 108 HIS H 2 108 HIS QB 3.640 . 3.640 2.927 2.421 3.324 . 0 0 "[ . 1 . ]" 1
845 2 109 LEU H 2 109 LEU MD1 3.750 . 3.750 2.780 1.741 3.659 . 0 0 "[ . 1 . ]" 1
846 2 109 LEU H 2 109 LEU QB 2.740 . 2.740 2.420 2.242 3.100 0.360 16 0 "[ . 1 . ]" 1
847 2 109 LEU H 2 110 GLY H 3.020 . 3.020 2.705 2.553 3.181 0.161 4 0 "[ . 1 . ]" 1
848 2 109 LEU MD1 2 110 GLY H 5.500 . 5.500 4.143 2.501 4.740 . 0 0 "[ . 1 . ]" 1
849 2 109 LEU QB 2 110 GLY H 3.570 . 3.570 2.726 2.481 3.899 0.329 4 0 "[ . 1 . ]" 1
850 2 111 LEU H 2 112 SER H 5.500 . 5.500 3.789 2.477 4.618 . 0 0 "[ . 1 . ]" 1
851 2 111 LEU HA 2 112 SER H 3.250 . 3.250 2.547 2.124 3.495 0.245 19 0 "[ . 1 . ]" 1
852 2 111 LEU HG 2 112 SER H 5.340 . 5.340 4.200 2.721 5.110 . 0 0 "[ . 1 . ]" 1
853 2 111 LEU QB 2 112 SER H 4.450 . 4.450 3.262 1.693 4.046 . 0 0 "[ . 1 . ]" 1
854 2 112 SER H 2 112 SER QB 3.670 . 3.670 2.614 2.215 3.227 . 0 0 "[ . 1 . ]" 1
855 2 112 SER QB 2 113 ASP H 4.110 . 4.110 3.043 1.810 4.030 . 0 0 "[ . 1 . ]" 1
856 2 113 ASP H 2 113 ASP QB 3.660 . 3.660 2.689 2.251 3.262 . 0 0 "[ . 1 . ]" 1
857 2 113 ASP HB2 2 114 ARG H 5.200 . 5.200 3.817 2.001 4.666 . 0 0 "[ . 1 . ]" 1
858 2 113 ASP HB3 2 114 ARG H 5.200 . 5.200 3.721 1.792 4.566 . 0 0 "[ . 1 . ]" 1
859 2 114 ARG H 2 114 ARG HG2 4.580 . 4.580 3.127 1.732 4.645 0.065 2 0 "[ . 1 . ]" 1
860 2 114 ARG H 2 114 ARG HG3 4.580 . 4.580 3.087 2.254 4.467 . 0 0 "[ . 1 . ]" 1
861 2 114 ARG H 2 114 ARG QB 3.630 . 3.630 2.583 2.206 3.270 . 0 0 "[ . 1 . ]" 1
862 2 114 ARG H 2 114 ARG QG 3.870 . 3.870 2.529 1.704 4.028 0.158 2 0 "[ . 1 . ]" 1
863 2 114 ARG H 2 115 HIS H 4.740 . 4.740 4.057 1.885 4.618 . 0 0 "[ . 1 . ]" 1
864 2 116 PRO QB 2 117 SER H 3.410 . 3.410 2.975 2.305 3.411 0.001 19 0 "[ . 1 . ]" 1
865 1 37 ILE H 1 55 ILE MD 5.000 . 5.000 5.151 4.612 5.299 0.299 17 0 "[ . 1 . ]" 1
866 1 37 ILE MG 1 62 VAL H 5.500 . 5.500 5.605 5.347 5.764 0.264 2 0 "[ . 1 . ]" 1
867 1 39 THR H 1 97 LEU MD1 5.500 . 5.500 5.099 4.473 5.573 0.073 18 0 "[ . 1 . ]" 1
868 1 41 LEU H 1 46 LEU MD1 5.000 . 5.000 4.542 3.428 5.451 0.451 6 0 "[ . 1 . ]" 1
869 1 41 LEU QB 1 88 LEU H 4.000 . 4.000 3.818 2.853 4.417 0.417 1 0 "[ . 1 . ]" 1
870 1 41 LEU MD1 1 87 SER H 4.500 . 4.500 4.642 4.483 4.875 0.375 6 0 "[ . 1 . ]" 1
871 1 41 LEU MD1 1 88 LEU H 4.500 . 4.500 4.368 3.197 4.901 0.401 18 0 "[ . 1 . ]" 1
872 1 41 LEU MD2 1 46 LEU H 4.500 . 4.500 3.763 2.902 4.748 0.248 18 0 "[ . 1 . ]" 1
873 1 41 LEU MD2 1 87 SER H 4.200 . 4.200 4.199 3.371 4.625 0.425 1 0 "[ . 1 . ]" 1
874 1 42 ARG H 1 88 LEU QD 3.500 . 3.500 3.516 3.198 3.721 0.221 7 0 "[ . 1 . ]" 1
875 1 46 LEU H 1 85 VAL MG1 3.500 . 3.500 3.262 2.447 3.733 0.233 18 0 "[ . 1 . ]" 1
876 1 46 LEU H 1 85 VAL MG2 4.600 . 4.600 4.437 3.747 5.035 0.435 6 0 "[ . 1 . ]" 1
877 1 48 VAL H 1 86 TYR QD 5.700 . 5.700 4.118 2.845 5.799 0.099 2 0 "[ . 1 . ]" 1
878 1 48 VAL MG1 1 63 SER H 4.100 . 4.100 4.012 3.408 4.511 0.411 17 0 "[ . 1 . ]" 1
879 1 48 VAL MG2 1 63 SER H 4.900 . 4.900 4.650 3.764 5.158 0.258 14 0 "[ . 1 . ]" 1
880 1 49 THR H 1 59 GLN QG 5.000 . 5.000 5.083 3.961 5.451 0.451 6 0 "[ . 1 . ]" 1
881 1 52 ALA H 1 57 MET H 5.000 . 5.000 5.064 4.253 5.433 0.433 1 0 "[ . 1 . ]" 1
882 1 52 ALA MB 1 58 GLU H 4.900 . 4.900 2.796 1.729 4.733 . 0 0 "[ . 1 . ]" 1
883 1 69 LEU HA 1 75 VAL H 6.000 . 6.000 5.371 4.241 6.112 0.112 10 0 "[ . 1 . ]" 1
884 1 69 LEU QB 1 75 VAL H 5.000 . 5.000 3.734 3.127 4.870 . 0 0 "[ . 1 . ]" 1
885 1 70 ARG H 1 75 VAL H 6.000 . 6.000 5.279 4.837 6.253 0.253 4 0 "[ . 1 . ]" 1
886 1 75 VAL H 1 89 TYR QB 4.000 . 4.000 3.325 3.147 3.725 . 0 0 "[ . 1 . ]" 1
887 1 75 VAL HA 1 88 LEU H 4.700 . 4.700 4.825 4.739 4.931 0.231 4 0 "[ . 1 . ]" 1
888 1 75 VAL HA 1 89 TYR H 3.700 . 3.700 1.896 1.757 2.121 . 0 0 "[ . 1 . ]" 1
889 1 75 VAL HB 1 88 LEU H 5.000 . 5.000 5.097 4.487 5.241 0.241 6 0 "[ . 1 . ]" 1
890 1 76 VAL H 1 89 TYR QB 5.000 . 5.000 4.218 3.795 4.549 . 0 0 "[ . 1 . ]" 1
891 1 77 GLY QA 1 86 TYR H 4.600 . 4.600 4.567 4.402 4.631 0.031 19 0 "[ . 1 . ]" 1
892 1 78 ASP H 1 84 ILE MD 3.000 . 3.000 2.774 2.107 3.290 0.290 19 0 "[ . 1 . ]" 1
893 1 78 ASP H 1 85 VAL H 4.400 . 4.400 2.766 2.159 3.110 . 0 0 "[ . 1 . ]" 1
894 1 78 ASP HA 1 85 VAL H 4.800 . 4.800 4.683 4.312 4.818 0.018 1 0 "[ . 1 . ]" 1
895 1 80 ALA H 1 84 ILE MG 4.500 . 4.500 4.112 2.401 4.929 0.429 9 0 "[ . 1 . ]" 1
896 2 37 ILE H 2 55 ILE MD 5.000 . 5.000 5.152 4.555 5.306 0.306 15 0 "[ . 1 . ]" 1
897 2 37 ILE MG 2 62 VAL H 5.500 . 5.500 5.606 5.304 5.771 0.271 2 0 "[ . 1 . ]" 1
898 2 39 THR H 2 97 LEU MD1 5.500 . 5.500 5.098 4.464 5.553 0.053 15 0 "[ . 1 . ]" 1
899 2 41 LEU H 2 46 LEU MD1 5.000 . 5.000 4.545 3.426 5.471 0.471 6 0 "[ . 1 . ]" 1
900 2 41 LEU QB 2 88 LEU H 4.000 . 4.000 3.819 2.879 4.425 0.425 1 0 "[ . 1 . ]" 1
901 2 41 LEU MD1 2 87 SER H 4.500 . 4.500 4.647 4.485 4.872 0.372 6 0 "[ . 1 . ]" 1
902 2 41 LEU MD1 2 88 LEU H 4.500 . 4.500 4.364 3.216 4.908 0.408 18 0 "[ . 1 . ]" 1
903 2 41 LEU MD2 2 46 LEU H 4.500 . 4.500 3.775 2.930 4.750 0.250 18 0 "[ . 1 . ]" 1
904 2 41 LEU MD2 2 87 SER H 4.200 . 4.200 4.180 3.339 4.657 0.457 1 0 "[ . 1 . ]" 1
905 2 42 ARG H 2 88 LEU QD 3.500 . 3.500 3.524 3.203 3.729 0.229 9 0 "[ . 1 . ]" 1
906 2 46 LEU H 2 85 VAL MG1 3.500 . 3.500 3.255 2.356 3.761 0.261 18 0 "[ . 1 . ]" 1
907 2 46 LEU H 2 85 VAL MG2 4.600 . 4.600 4.448 3.812 5.026 0.426 6 0 "[ . 1 . ]" 1
908 2 48 VAL H 2 86 TYR QD 5.700 . 5.700 4.111 2.892 5.791 0.091 2 0 "[ . 1 . ]" 1
909 2 48 VAL MG1 2 63 SER H 4.100 . 4.100 4.026 3.594 4.374 0.274 17 0 "[ . 1 . ]" 1
910 2 48 VAL MG2 2 63 SER H 4.900 . 4.900 4.664 3.890 5.174 0.274 14 0 "[ . 1 . ]" 1
911 2 49 THR H 2 59 GLN QG 5.000 . 5.000 5.119 4.603 5.456 0.456 6 0 "[ . 1 . ]" 1
912 2 52 ALA H 2 57 MET H 5.000 . 5.000 5.067 4.421 5.405 0.405 12 0 "[ . 1 . ]" 1
913 2 52 ALA MB 2 58 GLU H 4.900 . 4.900 2.809 1.736 4.707 . 0 0 "[ . 1 . ]" 1
914 2 69 LEU HA 2 75 VAL H 6.000 . 6.000 5.370 4.235 6.100 0.100 10 0 "[ . 1 . ]" 1
915 2 69 LEU QB 2 75 VAL H 5.000 . 5.000 3.730 3.096 4.852 . 0 0 "[ . 1 . ]" 1
916 2 70 ARG H 2 75 VAL H 6.000 . 6.000 5.285 4.849 6.230 0.230 4 0 "[ . 1 . ]" 1
917 2 75 VAL H 2 89 TYR QB 4.000 . 4.000 3.322 3.137 3.697 . 0 0 "[ . 1 . ]" 1
918 2 75 VAL HA 2 88 LEU H 4.700 . 4.700 4.832 4.746 4.942 0.242 4 0 "[ . 1 . ]" 1
919 2 75 VAL HA 2 89 TYR H 3.700 . 3.700 1.888 1.758 2.094 . 0 0 "[ . 1 . ]" 1
920 2 75 VAL HB 2 88 LEU H 5.000 . 5.000 5.092 4.497 5.280 0.280 6 0 "[ . 1 . ]" 1
921 2 76 VAL H 2 89 TYR QB 5.000 . 5.000 4.208 3.809 4.536 . 0 0 "[ . 1 . ]" 1
922 2 77 GLY QA 2 86 TYR H 4.600 . 4.600 4.563 4.398 4.662 0.062 8 0 "[ . 1 . ]" 1
923 2 78 ASP H 2 84 ILE MD 3.000 . 3.000 2.741 2.118 3.312 0.312 19 0 "[ . 1 . ]" 1
924 2 78 ASP H 2 85 VAL H 4.400 . 4.400 2.794 2.178 3.102 . 0 0 "[ . 1 . ]" 1
925 2 78 ASP HA 2 85 VAL H 4.800 . 4.800 4.700 4.300 4.816 0.016 1 0 "[ . 1 . ]" 1
926 2 80 ALA H 2 84 ILE MG 4.500 . 4.500 4.135 2.388 4.905 0.405 9 0 "[ . 1 . ]" 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 192
_Distance_constraint_stats_list.Viol_count 1661
_Distance_constraint_stats_list.Viol_total 3024.538
_Distance_constraint_stats_list.Viol_max 0.404
_Distance_constraint_stats_list.Viol_rms 0.0662
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0436
_Distance_constraint_stats_list.Viol_average_violations_only 0.0958
_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 15 ASP 2.337 0.241 6 0 "[ . 1 . ]"
1 16 SER 4.025 0.231 9 0 "[ . 1 . ]"
1 17 GLN 0.171 0.056 16 0 "[ . 1 . ]"
1 18 ALA 0.933 0.192 6 0 "[ . 1 . ]"
1 19 ALA 2.337 0.241 6 0 "[ . 1 . ]"
1 20 ALA 4.471 0.231 9 0 "[ . 1 . ]"
1 21 GLN 7.284 0.270 8 0 "[ . 1 . ]"
1 22 VAL 1.067 0.192 6 0 "[ . 1 . ]"
1 23 ALA 0.223 0.063 13 0 "[ . 1 . ]"
1 24 SER 1.142 0.088 10 0 "[ . 1 . ]"
1 25 THR 9.704 0.270 8 0 "[ . 1 . ]"
1 26 LEU 0.134 0.082 6 0 "[ . 1 . ]"
1 27 GLN 0.223 0.063 13 0 "[ . 1 . ]"
1 28 ALA 0.695 0.088 10 0 "[ . 1 . ]"
1 29 LEU 2.591 0.163 8 0 "[ . 1 . ]"
1 32 PRO 0.578 0.080 10 0 "[ . 1 . ]"
1 33 SER 3.317 0.212 3 0 "[ . 1 . ]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 35 LEU 0.047 0.047 5 0 "[ . 1 . ]"
1 36 MET 4.865 0.258 2 0 "[ . 1 . ]"
1 37 ILE 10.583 0.404 15 0 "[ . 1 . ]"
1 38 LEU 0.309 0.121 11 0 "[ . 1 . ]"
1 39 THR 0.047 0.047 5 0 "[ . 1 . ]"
1 40 GLN 4.287 0.258 2 0 "[ . 1 . ]"
1 41 LEU 7.266 0.404 15 0 "[ . 1 . ]"
1 42 ARG 0.309 0.121 11 0 "[ . 1 . ]"
1 48 VAL 1.096 0.191 6 0 "[ . 1 . ]"
1 49 THR 4.842 0.332 6 0 "[ . 1 . ]"
1 50 ASP 3.246 0.251 8 0 "[ . 1 . ]"
1 52 ALA 1.096 0.191 6 0 "[ . 1 . ]"
1 53 GLU 4.842 0.332 6 0 "[ . 1 . ]"
1 54 ALA 3.246 0.251 8 0 "[ . 1 . ]"
1 59 GLN 1.930 0.174 6 0 "[ . 1 . ]"
1 60 SER 1.717 0.174 7 0 "[ . 1 . ]"
1 61 ALA 1.031 0.260 4 0 "[ . 1 . ]"
1 62 VAL 0.200 0.116 4 0 "[ . 1 . ]"
1 63 SER 2.951 0.174 6 0 "[ . 1 . ]"
1 64 HIS 5.618 0.265 4 0 "[ . 1 . ]"
1 65 GLN 1.635 0.260 4 0 "[ . 1 . ]"
1 66 LEU 0.200 0.116 4 0 "[ . 1 . ]"
1 67 ARG 5.586 0.307 14 0 "[ . 1 . ]"
1 68 VAL 3.901 0.265 4 0 "[ . 1 . ]"
1 69 LEU 0.605 0.093 17 0 "[ . 1 . ]"
1 70 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 71 ASN 4.566 0.307 14 0 "[ . 1 . ]"
1 76 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 78 ASP 2.633 0.210 11 0 "[ . 1 . ]"
1 80 ALA 2.177 0.231 17 0 "[ . 1 . ]"
1 83 SER 2.177 0.231 17 0 "[ . 1 . ]"
1 85 VAL 2.633 0.210 11 0 "[ . 1 . ]"
1 87 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 91 THR 1.342 0.303 6 0 "[ . 1 . ]"
1 92 HIS 3.621 0.279 11 0 "[ . 1 . ]"
1 93 VAL 1.778 0.162 6 0 "[ . 1 . ]"
1 94 ALA 0.347 0.092 9 0 "[ . 1 . ]"
1 95 GLN 5.247 0.303 6 0 "[ . 1 . ]"
1 96 LEU 4.577 0.279 11 0 "[ . 1 . ]"
1 97 LEU 1.778 0.162 6 0 "[ . 1 . ]"
1 98 ASP 1.291 0.177 17 0 "[ . 1 . ]"
1 99 GLU 3.937 0.211 4 0 "[ . 1 . ]"
1 100 ALA 1.529 0.166 18 0 "[ . 1 . ]"
1 101 ILE 0.864 0.124 15 0 "[ . 1 . ]"
1 102 TYR 2.254 0.262 4 0 "[ . 1 . ]"
1 103 HIS 0.032 0.024 9 0 "[ . 1 . ]"
1 104 SER 0.573 0.126 6 0 "[ . 1 . ]"
1 105 GLU 0.864 0.124 15 0 "[ . 1 . ]"
1 106 HIS 1.310 0.262 4 0 "[ . 1 . ]"
2 15 ASP 2.314 0.254 6 0 "[ . 1 . ]"
2 16 SER 4.278 0.230 9 0 "[ . 1 . ]"
2 17 GLN 0.148 0.058 16 0 "[ . 1 . ]"
2 18 ALA 0.987 0.203 6 0 "[ . 1 . ]"
2 19 ALA 2.314 0.254 6 0 "[ . 1 . ]"
2 20 ALA 4.711 0.230 9 0 "[ . 1 . ]"
2 21 GLN 7.432 0.273 13 0 "[ . 1 . ]"
2 22 VAL 1.157 0.203 6 0 "[ . 1 . ]"
2 23 ALA 0.252 0.058 13 0 "[ . 1 . ]"
2 24 SER 1.181 0.090 10 0 "[ . 1 . ]"
2 25 THR 9.903 0.273 13 0 "[ . 1 . ]"
2 26 LEU 0.170 0.103 6 0 "[ . 1 . ]"
2 27 GLN 0.252 0.058 13 0 "[ . 1 . ]"
2 28 ALA 0.748 0.090 10 0 "[ . 1 . ]"
2 29 LEU 2.620 0.167 5 0 "[ . 1 . ]"
2 32 PRO 0.422 0.076 10 0 "[ . 1 . ]"
2 33 SER 3.484 0.258 10 0 "[ . 1 . ]"
2 34 ARG 0.000 0.000 . 0 "[ . 1 . ]"
2 35 LEU 0.038 0.038 5 0 "[ . 1 . ]"
2 36 MET 4.624 0.260 4 0 "[ . 1 . ]"
2 37 ILE 10.730 0.392 15 0 "[ . 1 . ]"
2 38 LEU 0.345 0.151 11 0 "[ . 1 . ]"
2 39 THR 0.038 0.038 5 0 "[ . 1 . ]"
2 40 GLN 4.202 0.260 4 0 "[ . 1 . ]"
2 41 LEU 7.247 0.392 15 0 "[ . 1 . ]"
2 42 ARG 0.345 0.151 11 0 "[ . 1 . ]"
2 48 VAL 1.219 0.208 6 0 "[ . 1 . ]"
2 49 THR 4.973 0.327 6 0 "[ . 1 . ]"
2 50 ASP 3.322 0.258 15 0 "[ . 1 . ]"
2 52 ALA 1.219 0.208 6 0 "[ . 1 . ]"
2 53 GLU 4.973 0.327 6 0 "[ . 1 . ]"
2 54 ALA 3.322 0.258 15 0 "[ . 1 . ]"
2 59 GLN 1.869 0.168 6 0 "[ . 1 . ]"
2 60 SER 1.623 0.168 7 0 "[ . 1 . ]"
2 61 ALA 0.959 0.246 4 0 "[ . 1 . ]"
2 62 VAL 0.217 0.109 4 0 "[ . 1 . ]"
2 63 SER 2.883 0.168 6 0 "[ . 1 . ]"
2 64 HIS 5.732 0.267 4 0 "[ . 1 . ]"
2 65 GLN 1.567 0.246 4 0 "[ . 1 . ]"
2 66 LEU 0.217 0.109 4 0 "[ . 1 . ]"
2 67 ARG 5.794 0.325 14 0 "[ . 1 . ]"
2 68 VAL 4.109 0.267 4 0 "[ . 1 . ]"
2 69 LEU 0.609 0.107 2 0 "[ . 1 . ]"
2 70 ARG 0.000 0.000 . 0 "[ . 1 . ]"
2 71 ASN 4.780 0.325 14 0 "[ . 1 . ]"
2 76 VAL 0.008 0.008 8 0 "[ . 1 . ]"
2 78 ASP 2.735 0.168 11 0 "[ . 1 . ]"
2 80 ALA 2.138 0.222 17 0 "[ . 1 . ]"
2 83 SER 2.138 0.222 17 0 "[ . 1 . ]"
2 85 VAL 2.735 0.168 11 0 "[ . 1 . ]"
2 87 SER 0.008 0.008 8 0 "[ . 1 . ]"
2 91 THR 1.295 0.291 6 0 "[ . 1 . ]"
2 92 HIS 3.601 0.246 18 0 "[ . 1 . ]"
2 93 VAL 1.707 0.151 11 0 "[ . 1 . ]"
2 94 ALA 0.312 0.088 17 0 "[ . 1 . ]"
2 95 GLN 5.185 0.291 6 0 "[ . 1 . ]"
2 96 LEU 4.374 0.246 18 0 "[ . 1 . ]"
2 97 LEU 1.707 0.151 11 0 "[ . 1 . ]"
2 98 ASP 1.350 0.190 17 0 "[ . 1 . ]"
2 99 GLU 3.890 0.219 4 0 "[ . 1 . ]"
2 100 ALA 1.447 0.164 18 0 "[ . 1 . ]"
2 101 ILE 0.886 0.124 16 0 "[ . 1 . ]"
2 102 TYR 2.394 0.285 4 0 "[ . 1 . ]"
2 103 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 104 SER 0.674 0.129 6 0 "[ . 1 . ]"
2 105 GLU 0.886 0.124 16 0 "[ . 1 . ]"
2 106 HIS 1.356 0.285 4 0 "[ . 1 . ]"
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 15 ASP O 1 19 ALA H 2.000 . 2.000 2.059 1.836 2.241 0.241 6 0 "[ . 1 . ]" 2
2 1 15 ASP O 1 19 ALA N 3.000 . 3.000 2.940 2.671 3.199 0.199 6 0 "[ . 1 . ]" 2
3 1 16 SER O 1 20 ALA H 2.000 . 2.000 2.108 1.744 2.231 0.231 9 0 "[ . 1 . ]" 2
4 1 16 SER O 1 20 ALA N 3.000 . 3.000 3.074 2.691 3.189 0.189 16 0 "[ . 1 . ]" 2
5 1 17 GLN O 1 21 GLN H 2.000 . 2.000 1.798 1.632 2.056 0.056 16 0 "[ . 1 . ]" 2
6 1 17 GLN O 1 21 GLN N 3.000 . 3.000 2.762 2.560 3.026 0.026 16 0 "[ . 1 . ]" 2
7 1 18 ALA O 1 22 VAL H 2.000 . 2.000 2.007 1.825 2.192 0.192 6 0 "[ . 1 . ]" 2
8 1 18 ALA O 1 22 VAL N 3.000 . 3.000 2.950 2.754 3.166 0.166 6 0 "[ . 1 . ]" 2
9 1 19 ALA O 1 23 ALA H 2.000 . 2.000 1.804 1.708 1.880 . 0 0 "[ . 1 . ]" 2
10 1 19 ALA O 1 23 ALA N 3.000 . 3.000 2.739 2.671 2.800 . 0 0 "[ . 1 . ]" 2
11 1 20 ALA O 1 24 SER H 2.000 . 2.000 1.974 1.690 2.085 0.085 13 0 "[ . 1 . ]" 2
12 1 20 ALA O 1 24 SER N 3.000 . 3.000 2.897 2.633 3.017 0.017 1 0 "[ . 1 . ]" 2
13 1 21 GLN O 1 25 THR H 2.000 . 2.000 2.221 2.158 2.270 0.270 8 0 "[ . 1 . ]" 2
14 1 21 GLN O 1 25 THR N 3.000 . 3.000 3.153 3.089 3.215 0.215 8 0 "[ . 1 . ]" 2
15 1 22 VAL O 1 26 LEU H 2.000 . 2.000 1.861 1.701 2.082 0.082 6 0 "[ . 1 . ]" 2
16 1 22 VAL O 1 26 LEU N 3.000 . 3.000 2.832 2.675 3.052 0.052 6 0 "[ . 1 . ]" 2
17 1 23 ALA O 1 27 GLN H 2.000 . 2.000 1.980 1.889 2.063 0.063 13 0 "[ . 1 . ]" 2
18 1 23 ALA O 1 27 GLN N 3.000 . 3.000 2.686 2.626 2.759 . 0 0 "[ . 1 . ]" 2
19 1 24 SER O 1 28 ALA H 2.000 . 2.000 2.009 1.876 2.088 0.088 10 0 "[ . 1 . ]" 2
20 1 24 SER O 1 28 ALA N 3.000 . 3.000 2.982 2.854 3.059 0.059 10 0 "[ . 1 . ]" 2
21 1 25 THR O 1 29 LEU H 2.000 . 2.000 2.103 2.019 2.163 0.163 8 0 "[ . 1 . ]" 2
22 1 25 THR O 1 29 LEU N 3.000 . 3.000 3.020 2.943 3.080 0.080 8 0 "[ . 1 . ]" 2
23 1 32 PRO O 1 36 MET H 2.000 . 2.000 1.977 1.827 2.080 0.080 10 0 "[ . 1 . ]" 2
24 1 32 PRO O 1 36 MET N 3.000 . 3.000 2.951 2.806 3.058 0.058 17 0 "[ . 1 . ]" 2
25 1 33 SER O 1 37 ILE H 2.000 . 2.000 2.104 1.960 2.212 0.212 3 0 "[ . 1 . ]" 2
26 1 33 SER O 1 37 ILE N 3.000 . 3.000 3.065 2.926 3.148 0.148 3 0 "[ . 1 . ]" 2
27 1 34 ARG O 1 38 LEU H 2.000 . 2.000 1.832 1.754 1.941 . 0 0 "[ . 1 . ]" 2
28 1 34 ARG O 1 38 LEU N 3.000 . 3.000 2.759 2.655 2.903 . 0 0 "[ . 1 . ]" 2
29 1 35 LEU O 1 39 THR H 2.000 . 2.000 1.791 1.689 2.047 0.047 5 0 "[ . 1 . ]" 2
30 1 35 LEU O 1 39 THR N 3.000 . 3.000 2.720 2.631 2.943 . 0 0 "[ . 1 . ]" 2
31 1 36 MET O 1 40 GLN H 2.000 . 2.000 2.161 2.052 2.258 0.258 2 0 "[ . 1 . ]" 2
32 1 36 MET O 1 40 GLN N 3.000 . 3.000 3.061 2.946 3.146 0.146 2 0 "[ . 1 . ]" 2
33 1 37 ILE O 1 41 LEU H 2.000 . 2.000 2.218 2.101 2.404 0.404 15 0 "[ . 1 . ]" 2
34 1 37 ILE O 1 41 LEU N 3.000 . 3.000 3.164 3.059 3.345 0.345 15 0 "[ . 1 . ]" 2
35 1 38 LEU O 1 42 ARG H 2.000 . 2.000 1.946 1.705 2.121 0.121 11 0 "[ . 1 . ]" 2
36 1 38 LEU O 1 42 ARG N 3.000 . 3.000 2.857 2.674 2.969 . 0 0 "[ . 1 . ]" 2
37 1 48 VAL O 1 52 ALA H 2.000 . 2.000 1.980 1.756 2.191 0.191 6 0 "[ . 1 . ]" 2
38 1 48 VAL O 1 52 ALA N 3.000 . 3.000 2.892 2.692 3.078 0.078 11 0 "[ . 1 . ]" 2
39 1 49 THR O 1 53 GLU H 2.000 . 2.000 2.153 1.981 2.332 0.332 6 0 "[ . 1 . ]" 2
40 1 49 THR O 1 53 GLU N 3.000 . 3.000 3.096 2.925 3.269 0.269 6 0 "[ . 1 . ]" 2
41 1 50 ASP O 1 54 ALA H 2.000 . 2.000 2.117 1.990 2.251 0.251 8 0 "[ . 1 . ]" 2
42 1 50 ASP O 1 54 ALA N 3.000 . 3.000 3.040 2.804 3.119 0.119 6 0 "[ . 1 . ]" 2
43 1 59 GLN O 1 63 SER H 2.000 . 2.000 2.052 1.817 2.174 0.174 6 0 "[ . 1 . ]" 2
44 1 59 GLN O 1 63 SER N 3.000 . 3.000 3.024 2.789 3.132 0.132 6 0 "[ . 1 . ]" 2
45 1 60 SER O 1 64 HIS H 2.000 . 2.000 2.053 1.869 2.174 0.174 7 0 "[ . 1 . ]" 2
46 1 60 SER O 1 64 HIS N 3.000 . 3.000 2.996 2.837 3.104 0.104 4 0 "[ . 1 . ]" 2
47 1 61 ALA O 1 65 GLN H 2.000 . 2.000 2.015 1.835 2.260 0.260 4 0 "[ . 1 . ]" 2
48 1 61 ALA O 1 65 GLN N 3.000 . 3.000 2.942 2.742 3.144 0.144 4 0 "[ . 1 . ]" 2
49 1 62 VAL O 1 66 LEU H 2.000 . 2.000 1.816 1.707 2.116 0.116 4 0 "[ . 1 . ]" 2
50 1 62 VAL O 1 66 LEU N 3.000 . 3.000 2.733 2.621 3.006 0.006 17 0 "[ . 1 . ]" 2
51 1 63 SER O 1 67 ARG H 2.000 . 2.000 2.042 1.916 2.131 0.131 14 0 "[ . 1 . ]" 2
52 1 63 SER O 1 67 ARG N 3.000 . 3.000 2.960 2.850 3.050 0.050 4 0 "[ . 1 . ]" 2
53 1 64 HIS O 1 68 VAL H 2.000 . 2.000 2.129 2.043 2.265 0.265 4 0 "[ . 1 . ]" 2
54 1 64 HIS O 1 68 VAL N 3.000 . 3.000 3.072 2.971 3.218 0.218 4 0 "[ . 1 . ]" 2
55 1 65 GLN O 1 69 LEU H 2.000 . 2.000 1.944 1.760 2.093 0.093 17 0 "[ . 1 . ]" 2
56 1 65 GLN O 1 69 LEU N 3.000 . 3.000 2.909 2.729 3.069 0.069 17 0 "[ . 1 . ]" 2
57 1 66 LEU O 1 70 ARG H 2.000 . 2.000 1.814 1.720 1.905 . 0 0 "[ . 1 . ]" 2
58 1 66 LEU O 1 70 ARG N 3.000 . 3.000 2.686 2.604 2.781 . 0 0 "[ . 1 . ]" 2
59 1 67 ARG O 1 71 ASN H 2.000 . 2.000 2.179 2.096 2.307 0.307 14 0 "[ . 1 . ]" 2
60 1 67 ARG O 1 71 ASN N 3.000 . 3.000 3.060 2.983 3.156 0.156 14 0 "[ . 1 . ]" 2
61 1 91 THR O 1 95 GLN H 2.000 . 2.000 1.968 1.720 2.303 0.303 6 0 "[ . 1 . ]" 2
62 1 91 THR O 1 95 GLN N 3.000 . 3.000 2.857 2.649 3.174 0.174 6 0 "[ . 1 . ]" 2
63 1 92 HIS O 1 96 LEU H 2.000 . 2.000 2.104 1.834 2.279 0.279 11 0 "[ . 1 . ]" 2
64 1 92 HIS O 1 96 LEU N 3.000 . 3.000 3.044 2.780 3.202 0.202 11 0 "[ . 1 . ]" 2
65 1 93 VAL O 1 97 LEU H 2.000 . 2.000 2.045 1.723 2.162 0.162 6 0 "[ . 1 . ]" 2
66 1 93 VAL O 1 97 LEU N 3.000 . 3.000 2.981 2.671 3.102 0.102 11 0 "[ . 1 . ]" 2
67 1 94 ALA O 1 98 ASP H 2.000 . 2.000 1.946 1.814 2.092 0.092 9 0 "[ . 1 . ]" 2
68 1 94 ALA O 1 98 ASP N 3.000 . 3.000 2.834 2.658 3.004 0.004 9 0 "[ . 1 . ]" 2
69 1 95 GLN O 1 99 GLU H 2.000 . 2.000 2.140 2.077 2.211 0.211 4 0 "[ . 1 . ]" 2
70 1 95 GLN O 1 99 GLU N 3.000 . 3.000 3.065 3.006 3.153 0.153 10 0 "[ . 1 . ]" 2
71 1 96 LEU O 1 100 ALA H 2.000 . 2.000 2.003 1.885 2.166 0.166 18 0 "[ . 1 . ]" 2
72 1 96 LEU O 1 100 ALA N 3.000 . 3.000 2.978 2.837 3.146 0.146 18 0 "[ . 1 . ]" 2
73 1 97 LEU O 1 101 ILE H 2.000 . 2.000 1.745 1.671 1.847 . 0 0 "[ . 1 . ]" 2
74 1 97 LEU O 1 101 ILE N 3.000 . 3.000 2.688 2.622 2.799 . 0 0 "[ . 1 . ]" 2
75 1 98 ASP O 1 102 TYR H 2.000 . 2.000 2.029 1.864 2.177 0.177 17 0 "[ . 1 . ]" 2
76 1 98 ASP O 1 102 TYR N 3.000 . 3.000 2.941 2.797 3.081 0.081 17 0 "[ . 1 . ]" 2
77 1 99 GLU O 1 103 HIS H 2.000 . 2.000 1.855 1.701 2.024 0.024 9 0 "[ . 1 . ]" 2
78 1 99 GLU O 1 103 HIS N 3.000 . 3.000 2.797 2.669 2.936 . 0 0 "[ . 1 . ]" 2
79 1 100 ALA O 1 104 SER H 2.000 . 2.000 1.976 1.850 2.126 0.126 6 0 "[ . 1 . ]" 2
80 1 100 ALA O 1 104 SER N 3.000 . 3.000 2.867 2.760 3.029 0.029 7 0 "[ . 1 . ]" 2
81 1 101 ILE O 1 105 GLU H 2.000 . 2.000 1.842 1.674 2.124 0.124 15 0 "[ . 1 . ]" 2
82 1 101 ILE O 1 105 GLU N 3.000 . 3.000 2.781 2.615 3.089 0.089 15 0 "[ . 1 . ]" 2
83 1 102 TYR O 1 106 HIS H 2.000 . 2.000 2.033 1.822 2.262 0.262 4 0 "[ . 1 . ]" 2
84 1 102 TYR O 1 106 HIS N 3.000 . 3.000 2.877 2.714 3.032 0.032 7 0 "[ . 1 . ]" 2
85 2 15 ASP O 2 19 ALA H 2.000 . 2.000 2.057 1.852 2.254 0.254 6 0 "[ . 1 . ]" 2
86 2 15 ASP O 2 19 ALA N 3.000 . 3.000 2.934 2.677 3.212 0.212 6 0 "[ . 1 . ]" 2
87 2 16 SER O 2 20 ALA H 2.000 . 2.000 2.115 1.754 2.230 0.230 9 0 "[ . 1 . ]" 2
88 2 16 SER O 2 20 ALA N 3.000 . 3.000 3.082 2.706 3.181 0.181 16 0 "[ . 1 . ]" 2
89 2 17 GLN O 2 21 GLN H 2.000 . 2.000 1.797 1.632 2.058 0.058 16 0 "[ . 1 . ]" 2
90 2 17 GLN O 2 21 GLN N 3.000 . 3.000 2.761 2.561 3.028 0.028 16 0 "[ . 1 . ]" 2
91 2 18 ALA O 2 22 VAL H 2.000 . 2.000 2.009 1.835 2.203 0.203 6 0 "[ . 1 . ]" 2
92 2 18 ALA O 2 22 VAL N 3.000 . 3.000 2.953 2.765 3.181 0.181 6 0 "[ . 1 . ]" 2
93 2 19 ALA O 2 23 ALA H 2.000 . 2.000 1.803 1.702 1.862 . 0 0 "[ . 1 . ]" 2
94 2 19 ALA O 2 23 ALA N 3.000 . 3.000 2.739 2.668 2.795 . 0 0 "[ . 1 . ]" 2
95 2 20 ALA O 2 24 SER H 2.000 . 2.000 1.976 1.696 2.075 0.075 4 0 "[ . 1 . ]" 2
96 2 20 ALA O 2 24 SER N 3.000 . 3.000 2.899 2.641 3.012 0.012 1 0 "[ . 1 . ]" 2
97 2 21 GLN O 2 25 THR H 2.000 . 2.000 2.224 2.173 2.273 0.273 13 0 "[ . 1 . ]" 2
98 2 21 GLN O 2 25 THR N 3.000 . 3.000 3.159 3.098 3.215 0.215 8 0 "[ . 1 . ]" 2
99 2 22 VAL O 2 26 LEU H 2.000 . 2.000 1.857 1.694 2.103 0.103 6 0 "[ . 1 . ]" 2
100 2 22 VAL O 2 26 LEU N 3.000 . 3.000 2.828 2.670 3.067 0.067 6 0 "[ . 1 . ]" 2
101 2 23 ALA O 2 27 GLN H 2.000 . 2.000 1.980 1.894 2.058 0.058 13 0 "[ . 1 . ]" 2
102 2 23 ALA O 2 27 GLN N 3.000 . 3.000 2.688 2.626 2.763 . 0 0 "[ . 1 . ]" 2
103 2 24 SER O 2 28 ALA H 2.000 . 2.000 2.008 1.887 2.090 0.090 10 0 "[ . 1 . ]" 2
104 2 24 SER O 2 28 ALA N 3.000 . 3.000 2.981 2.865 3.062 0.062 10 0 "[ . 1 . ]" 2
105 2 25 THR O 2 29 LEU H 2.000 . 2.000 2.104 1.994 2.167 0.167 5 0 "[ . 1 . ]" 2
106 2 25 THR O 2 29 LEU N 3.000 . 3.000 3.022 2.923 3.094 0.094 11 0 "[ . 1 . ]" 2
107 2 32 PRO O 2 36 MET H 2.000 . 2.000 1.971 1.821 2.076 0.076 10 0 "[ . 1 . ]" 2
108 2 32 PRO O 2 36 MET N 3.000 . 3.000 2.944 2.799 3.048 0.048 17 0 "[ . 1 . ]" 2
109 2 33 SER O 2 37 ILE H 2.000 . 2.000 2.107 1.942 2.258 0.258 10 0 "[ . 1 . ]" 2
110 2 33 SER O 2 37 ILE N 3.000 . 3.000 3.068 2.907 3.193 0.193 10 0 "[ . 1 . ]" 2
111 2 34 ARG O 2 38 LEU H 2.000 . 2.000 1.832 1.756 1.937 . 0 0 "[ . 1 . ]" 2
112 2 34 ARG O 2 38 LEU N 3.000 . 3.000 2.759 2.647 2.899 . 0 0 "[ . 1 . ]" 2
113 2 35 LEU O 2 39 THR H 2.000 . 2.000 1.787 1.686 2.038 0.038 5 0 "[ . 1 . ]" 2
114 2 35 LEU O 2 39 THR N 3.000 . 3.000 2.716 2.627 2.941 . 0 0 "[ . 1 . ]" 2
115 2 36 MET O 2 40 GLN H 2.000 . 2.000 2.158 2.051 2.260 0.260 4 0 "[ . 1 . ]" 2
116 2 36 MET O 2 40 GLN N 3.000 . 3.000 3.059 2.943 3.151 0.151 4 0 "[ . 1 . ]" 2
117 2 37 ILE O 2 41 LEU H 2.000 . 2.000 2.217 2.072 2.392 0.392 15 0 "[ . 1 . ]" 2
118 2 37 ILE O 2 41 LEU N 3.000 . 3.000 3.164 3.042 3.337 0.337 15 0 "[ . 1 . ]" 2
119 2 38 LEU O 2 42 ARG H 2.000 . 2.000 1.950 1.713 2.151 0.151 11 0 "[ . 1 . ]" 2
120 2 38 LEU O 2 42 ARG N 3.000 . 3.000 2.859 2.680 2.952 . 0 0 "[ . 1 . ]" 2
121 2 48 VAL O 2 52 ALA H 2.000 . 2.000 1.988 1.755 2.208 0.208 6 0 "[ . 1 . ]" 2
122 2 48 VAL O 2 52 ALA N 3.000 . 3.000 2.899 2.688 3.089 0.089 17 0 "[ . 1 . ]" 2
123 2 49 THR O 2 53 GLU H 2.000 . 2.000 2.151 1.941 2.327 0.327 6 0 "[ . 1 . ]" 2
124 2 49 THR O 2 53 GLU N 3.000 . 3.000 3.098 2.892 3.268 0.268 6 0 "[ . 1 . ]" 2
125 2 50 ASP O 2 54 ALA H 2.000 . 2.000 2.120 1.992 2.258 0.258 15 0 "[ . 1 . ]" 2
126 2 50 ASP O 2 54 ALA N 3.000 . 3.000 3.042 2.795 3.122 0.122 14 0 "[ . 1 . ]" 2
127 2 59 GLN O 2 63 SER H 2.000 . 2.000 2.050 1.838 2.168 0.168 6 0 "[ . 1 . ]" 2
128 2 59 GLN O 2 63 SER N 3.000 . 3.000 3.022 2.810 3.126 0.126 6 0 "[ . 1 . ]" 2
129 2 60 SER O 2 64 HIS H 2.000 . 2.000 2.050 1.849 2.168 0.168 7 0 "[ . 1 . ]" 2
130 2 60 SER O 2 64 HIS N 3.000 . 3.000 2.993 2.810 3.109 0.109 4 0 "[ . 1 . ]" 2
131 2 61 ALA O 2 65 GLN H 2.000 . 2.000 2.013 1.864 2.246 0.246 4 0 "[ . 1 . ]" 2
132 2 61 ALA O 2 65 GLN N 3.000 . 3.000 2.939 2.765 3.136 0.136 4 0 "[ . 1 . ]" 2
133 2 62 VAL O 2 66 LEU H 2.000 . 2.000 1.817 1.696 2.109 0.109 4 0 "[ . 1 . ]" 2
134 2 62 VAL O 2 66 LEU N 3.000 . 3.000 2.734 2.616 3.025 0.025 17 0 "[ . 1 . ]" 2
135 2 63 SER O 2 67 ARG H 2.000 . 2.000 2.042 1.937 2.134 0.134 5 0 "[ . 1 . ]" 2
136 2 63 SER O 2 67 ARG N 3.000 . 3.000 2.961 2.871 3.060 0.060 4 0 "[ . 1 . ]" 2
137 2 64 HIS O 2 68 VAL H 2.000 . 2.000 2.135 2.005 2.267 0.267 4 0 "[ . 1 . ]" 2
138 2 64 HIS O 2 68 VAL N 3.000 . 3.000 3.078 2.938 3.219 0.219 4 0 "[ . 1 . ]" 2
139 2 65 GLN O 2 69 LEU H 2.000 . 2.000 1.950 1.759 2.107 0.107 2 0 "[ . 1 . ]" 2
140 2 65 GLN O 2 69 LEU N 3.000 . 3.000 2.916 2.729 3.089 0.089 2 0 "[ . 1 . ]" 2
141 2 66 LEU O 2 70 ARG H 2.000 . 2.000 1.808 1.726 1.915 . 0 0 "[ . 1 . ]" 2
142 2 66 LEU O 2 70 ARG N 3.000 . 3.000 2.683 2.604 2.773 . 0 0 "[ . 1 . ]" 2
143 2 67 ARG O 2 71 ASN H 2.000 . 2.000 2.184 2.109 2.325 0.325 14 0 "[ . 1 . ]" 2
144 2 67 ARG O 2 71 ASN N 3.000 . 3.000 3.066 2.982 3.175 0.175 14 0 "[ . 1 . ]" 2
145 2 91 THR O 2 95 GLN H 2.000 . 2.000 1.962 1.720 2.291 0.291 6 0 "[ . 1 . ]" 2
146 2 91 THR O 2 95 GLN N 3.000 . 3.000 2.853 2.653 3.171 0.171 6 0 "[ . 1 . ]" 2
147 2 92 HIS O 2 96 LEU H 2.000 . 2.000 2.103 1.835 2.246 0.246 18 0 "[ . 1 . ]" 2
148 2 92 HIS O 2 96 LEU N 3.000 . 3.000 3.042 2.784 3.169 0.169 11 0 "[ . 1 . ]" 2
149 2 93 VAL O 2 97 LEU H 2.000 . 2.000 2.049 1.756 2.151 0.151 11 0 "[ . 1 . ]" 2
150 2 93 VAL O 2 97 LEU N 3.000 . 3.000 2.984 2.702 3.095 0.095 11 0 "[ . 1 . ]" 2
151 2 94 ALA O 2 98 ASP H 2.000 . 2.000 1.939 1.796 2.088 0.088 17 0 "[ . 1 . ]" 2
152 2 94 ALA O 2 98 ASP N 3.000 . 3.000 2.831 2.666 2.995 . 0 0 "[ . 1 . ]" 2
153 2 95 GLN O 2 99 GLU H 2.000 . 2.000 2.140 2.055 2.219 0.219 4 0 "[ . 1 . ]" 2
154 2 95 GLN O 2 99 GLU N 3.000 . 3.000 3.065 2.997 3.144 0.144 4 0 "[ . 1 . ]" 2
155 2 96 LEU O 2 100 ALA H 2.000 . 2.000 2.001 1.876 2.164 0.164 18 0 "[ . 1 . ]" 2
156 2 96 LEU O 2 100 ALA N 3.000 . 3.000 2.974 2.846 3.142 0.142 18 0 "[ . 1 . ]" 2
157 2 97 LEU O 2 101 ILE H 2.000 . 2.000 1.740 1.663 1.848 . 0 0 "[ . 1 . ]" 2
158 2 97 LEU O 2 101 ILE N 3.000 . 3.000 2.685 2.615 2.770 . 0 0 "[ . 1 . ]" 2
159 2 98 ASP O 2 102 TYR H 2.000 . 2.000 2.031 1.825 2.190 0.190 17 0 "[ . 1 . ]" 2
160 2 98 ASP O 2 102 TYR N 3.000 . 3.000 2.942 2.761 3.090 0.090 17 0 "[ . 1 . ]" 2
161 2 99 GLU O 2 103 HIS H 2.000 . 2.000 1.861 1.711 1.997 . 0 0 "[ . 1 . ]" 2
162 2 99 GLU O 2 103 HIS N 3.000 . 3.000 2.802 2.677 2.922 . 0 0 "[ . 1 . ]" 2
163 2 100 ALA O 2 104 SER H 2.000 . 2.000 1.976 1.848 2.129 0.129 6 0 "[ . 1 . ]" 2
164 2 100 ALA O 2 104 SER N 3.000 . 3.000 2.868 2.750 3.044 0.044 7 0 "[ . 1 . ]" 2
165 2 101 ILE O 2 105 GLU H 2.000 . 2.000 1.846 1.674 2.124 0.124 16 0 "[ . 1 . ]" 2
166 2 101 ILE O 2 105 GLU N 3.000 . 3.000 2.786 2.614 3.076 0.076 16 0 "[ . 1 . ]" 2
167 2 102 TYR O 2 106 HIS H 2.000 . 2.000 2.035 1.820 2.285 0.285 4 0 "[ . 1 . ]" 2
168 2 102 TYR O 2 106 HIS N 3.000 . 3.000 2.873 2.716 3.020 0.020 4 0 "[ . 1 . ]" 2
169 1 76 VAL O 1 87 SER H 2.000 . 2.000 1.853 1.749 1.984 . 0 0 "[ . 1 . ]" 2
170 1 76 VAL O 1 87 SER N 3.000 . 3.000 2.804 2.672 2.945 . 0 0 "[ . 1 . ]" 2
171 1 76 VAL H 1 87 SER O 2.000 . 2.000 1.724 1.663 1.882 . 0 0 "[ . 1 . ]" 2
172 1 76 VAL N 1 87 SER O 3.000 . 3.000 2.676 2.620 2.785 . 0 0 "[ . 1 . ]" 2
173 1 78 ASP O 1 85 VAL H 2.000 . 2.000 2.060 1.842 2.210 0.210 11 0 "[ . 1 . ]" 2
174 1 78 ASP O 1 85 VAL N 3.000 . 3.000 2.997 2.750 3.148 0.148 11 0 "[ . 1 . ]" 2
175 1 78 ASP H 1 85 VAL O 2.000 . 2.000 1.956 1.760 2.160 0.160 7 0 "[ . 1 . ]" 2
176 1 78 ASP N 1 85 VAL O 3.000 . 3.000 2.858 2.699 3.007 0.007 6 0 "[ . 1 . ]" 2
177 1 80 ALA O 1 83 SER H 2.000 . 2.000 2.008 1.758 2.200 0.200 12 0 "[ . 1 . ]" 2
178 1 80 ALA O 1 83 SER N 3.000 . 3.000 2.759 2.582 2.981 . 0 0 "[ . 1 . ]" 2
179 1 80 ALA H 1 83 SER O 2.000 . 2.000 2.020 1.792 2.231 0.231 17 0 "[ . 1 . ]" 2
180 1 80 ALA N 1 83 SER O 3.000 . 3.000 2.774 2.610 2.993 . 0 0 "[ . 1 . ]" 2
181 2 76 VAL O 2 87 SER H 2.000 . 2.000 1.866 1.767 2.008 0.008 8 0 "[ . 1 . ]" 2
182 2 76 VAL O 2 87 SER N 3.000 . 3.000 2.808 2.668 2.972 . 0 0 "[ . 1 . ]" 2
183 2 76 VAL H 2 87 SER O 2.000 . 2.000 1.736 1.672 1.869 . 0 0 "[ . 1 . ]" 2
184 2 76 VAL N 2 87 SER O 3.000 . 3.000 2.686 2.631 2.775 . 0 0 "[ . 1 . ]" 2
185 2 78 ASP O 2 85 VAL H 2.000 . 2.000 2.061 1.871 2.168 0.168 11 0 "[ . 1 . ]" 2
186 2 78 ASP O 2 85 VAL N 3.000 . 3.000 3.002 2.778 3.137 0.137 11 0 "[ . 1 . ]" 2
187 2 78 ASP H 2 85 VAL O 2.000 . 2.000 1.951 1.769 2.151 0.151 10 0 "[ . 1 . ]" 2
188 2 78 ASP N 2 85 VAL O 3.000 . 3.000 2.853 2.706 3.025 0.025 6 0 "[ . 1 . ]" 2
189 2 80 ALA O 2 83 SER H 2.000 . 2.000 2.016 1.770 2.220 0.220 12 0 "[ . 1 . ]" 2
190 2 80 ALA O 2 83 SER N 3.000 . 3.000 2.760 2.596 2.988 . 0 0 "[ . 1 . ]" 2
191 2 80 ALA H 2 83 SER O 2.000 . 2.000 2.018 1.798 2.222 0.222 17 0 "[ . 1 . ]" 2
192 2 80 ALA N 2 83 SER O 3.000 . 3.000 2.778 2.627 2.908 . 0 0 "[ . 1 . ]" 2
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