data_6rqs_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6rqs _Structure_validation_residue.Date_analyzed 2019-10-18 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 120.864 0.364 . . . . 3.26 110.202 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.404 ' O ' ' HB2' ' A' ' 9' ' ' ARG . 3.3 m0 -73.44 -32.63 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.58 110.406 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -51.93 -54.02 34.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.232 -0.895 . . . . 1.07 111.487 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -70.37 -30.47 67.41 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.624 -0.431 . . . . 4.01 110.926 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 6' ' ' TRP . 74.2 mtt180 -57.71 -53.86 53.42 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.323 0.583 . . . . 3.99 109.991 173.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -56.38 -47.17 79.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.066 -0.97 . . . . 0.62 111.17 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -57.42 -56.62 19.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.628 . . . . 0.83 110.356 -178.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -62.6 -31.72 72.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 3.66 111.153 -175.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -73.26 -63.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.259 0.466 . . . . 4.31 112.259 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.2 t90 -75.39 -56.5 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.686 0.624 . . . . 0.8 112.686 -170.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.667 -0.242 . . . . 1.76 111.057 -171.04 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 . . . . . 0 C--O 1.236 0.362 0 CA-C-O 121.038 0.447 . . . . 3.26 110.468 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -73.24 -31.32 64.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.962 -0.563 . . . . 0.58 110.226 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -50.97 -48.05 61.2 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.253 -0.885 . . . . 1.07 111.077 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -63.11 -36.04 82.28 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.14 -0.482 . . . . 4.01 110.954 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -66.12 -37.1 84.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.64 -0.709 . . . . 3.99 110.338 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -71.89 -41.32 68.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.806 -0.634 . . . . 0.62 110.529 174.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.684 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -59.96 -61.41 2.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.823 -0.626 . . . . 0.83 111.202 -175.455 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -65.45 -33.54 76.18 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.463 0.542 . . . . 3.66 112.463 -173.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -73.5 -60.29 2.31 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.78 0.659 . . . . 4.31 112.78 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -74.65 -64.81 0.96 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.627 0.603 . . . . 0.8 112.627 -172.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.684 ' HD3' ' HA ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.151 0 N-CA-C 111.91 0.337 . . . . 1.76 111.91 -174.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.873 0.368 . . . . 3.26 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.4 m0 -67.89 -33.55 74.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.526 -0.546 . . . . 0.58 109.526 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.477 ' O ' ' HB2' ' A' ' 11' ' ' TRP . 50.7 t-105 -55.27 -45.54 76.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.987 -1.006 . . . . 1.07 110.993 175.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.59 ' HA ' ' HE ' ' A' ' 8' ' ' ARG . 2.0 mmp_? -63.9 -41.29 97.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.94 0.4 . . . . 4.01 110.785 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -61.12 -47.38 86.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.792 -0.64 . . . . 3.99 110.676 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -43.16 95.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.675 -0.693 . . . . 0.62 110.9 176.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.734 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -55.73 -63.3 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.474 -0.785 . . . . 0.83 111.329 -174.065 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -65.36 -27.94 68.93 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.189 0.441 . . . . 3.66 112.189 -175.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -72.5 -63.13 1.22 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.273 -0.571 . . . . 4.31 111.954 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -75.27 -65.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.622 0.601 . . . . 0.8 112.622 -171.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.734 ' HD3' ' HA ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.602 -0.272 . . . . 1.76 111.223 -177.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 121.179 0.514 . . . . 3.26 110.346 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -72.83 -37.26 67.52 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.531 -0.544 . . . . 0.58 109.531 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.3 t-105 -52.42 -52.14 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.613 -1.176 . . . . 1.07 111.807 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -66.18 -38.06 87.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.923 0.342 . . . . 4.01 111.923 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -67.06 -45.7 76.6 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.528 -0.545 . . . . 3.99 109.528 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.89 -44.85 78.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.209 -0.905 . . . . 0.62 110.371 175.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -57.21 -61.91 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.643 -0.708 . . . . 0.83 110.478 -178.597 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -67.56 -30.36 69.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.428 -0.351 . . . . 3.66 111.677 -173.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.19 -57.05 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.783 -0.367 . . . . 4.31 111.598 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.436 ' HB3' ' HD2' ' A' ' 15' ' ' ARG . 7.7 t90 -74.18 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.178 -0.465 . . . . 0.8 111.903 -174.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.436 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 2.3 mpt_? . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.775 -0.648 . . . . 1.76 111.462 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.998 0.428 . . . . 3.26 111.294 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -72.61 -31.66 65.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.684 -0.689 . . . . 0.58 109.688 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -51.14 -50.21 59.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.91 -1.041 . . . . 1.07 111.245 175.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -65.42 -36.86 85.21 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.948 -0.569 . . . . 4.01 111.169 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -72.84 -33.6 66.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 3.99 110.791 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -40.6 96.14 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.155 0.502 . . . . 0.62 110.374 173.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -58.52 8.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.469 -0.787 . . . . 0.83 111.361 -175.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -65.6 -32.01 73.35 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.628 0.251 . . . . 3.66 111.606 -174.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -72.9 -61.45 1.81 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.159 -0.216 . . . . 4.31 111.405 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.5 t90 -73.41 -56.83 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.635 0.255 . . . . 0.8 111.664 -172.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 120.781 0.324 . . . . 1.76 110.688 -178.271 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 120.888 0.375 . . . . 3.26 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -72.86 -31.87 65.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.18 0.514 . . . . 0.58 110.369 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -49.79 -53.74 23.4 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.928 -1.033 . . . . 1.07 111.956 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -67.52 -31.09 70.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.139 -0.482 . . . . 4.01 111.234 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -68.45 -41.48 80.19 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.862 0.363 . . . . 3.99 110.312 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -61.68 -46.46 89.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.66 -0.7 . . . . 0.62 110.946 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.6 -61.65 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.359 -0.837 . . . . 0.83 110.537 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 12' ' ' ARG . 22.1 tpp180 -63.81 -29.45 70.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.329 -0.396 . . . . 3.66 111.456 -174.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -72.24 -62.55 1.39 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 111.695 0.258 . . . . 4.31 111.695 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -74.64 -56.18 5.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.156 0.503 . . . . 0.8 111.044 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.748 -0.66 . . . . 1.76 111.183 -175.182 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.714 0.292 . . . . 3.26 110.433 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -65.11 -41.42 94.92 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.505 -0.554 . . . . 0.58 109.505 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -48.46 -48.61 37.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.118 -0.946 . . . . 1.07 111.324 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 8' ' ' ARG . 43.8 mtp180 -64.57 -48.62 74.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 4.01 111.159 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 9' ' ' ARG . 15.8 tpt180 -60.57 -41.23 94.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 3.99 110.581 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -61.79 -45.35 94.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.62 111.152 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -57.65 11.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.49 -0.777 . . . . 0.83 110.9 -174.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -62.61 -39.61 94.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.568 -0.287 . . . . 3.66 111.523 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -70.57 -59.45 2.83 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 120.725 0.297 . . . . 4.31 111.592 -175.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -74.45 -54.19 8.05 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.206 0.447 . . . . 0.8 112.206 -172.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 C--N 1.327 -0.377 0 N-CA-C 112.875 0.694 . . . . 1.76 112.875 -172.765 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 121.131 0.491 . . . . 3.26 110.165 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -72.97 -30.59 63.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.019 -0.537 . . . . 0.58 110.614 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.9 t-105 -48.32 -40.16 24.31 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.637 -0.71 . . . . 1.07 110.962 173.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -64.08 -35.1 79.63 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.12 0.486 . . . . 4.01 110.519 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -69.37 -47.69 63.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.524 -0.762 . . . . 3.99 109.509 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -55.69 -46.16 77.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.376 -0.829 . . . . 0.62 110.691 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -54.81 42.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.53 -0.759 . . . . 0.83 111.301 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -66.58 -33.18 75.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 3.66 111.865 -175.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -73.89 -63.59 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.098 0.407 . . . . 4.31 112.098 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 41.3 t90 -74.65 -50.27 18.35 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.801 0.667 . . . . 0.8 112.801 -170.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--N 1.327 -0.373 0 N-CA-C 113.532 0.938 . . . . 1.76 113.532 -169.579 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.975 0.417 . . . . 3.26 111.403 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -72.01 -32.35 67.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.757 -0.656 . . . . 0.58 109.263 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.42 ' O ' ' HB2' ' A' ' 11' ' ' TRP . 29.9 t-105 -49.45 -54.95 14.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.427 -1.261 . . . . 1.07 111.464 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -72.59 -31.92 65.58 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.67 -0.412 . . . . 4.01 111.119 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 9' ' ' ARG . 16.5 mtp180 -62.6 -52.64 62.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.727 0.299 . . . . 3.99 110.906 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -60.82 -41.89 96.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.951 -0.568 . . . . 0.62 110.649 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.42 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -61.76 -54.96 35.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.662 -0.699 . . . . 0.83 111.669 -177.46 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 12' ' ' ARG . 8.0 mmt180 -72.22 -31.73 66.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.192 -0.458 . . . . 3.66 112.184 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 13' ' ' ARG . 12.7 mmm180 -73.15 -59.9 2.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.927 0.343 . . . . 4.31 111.927 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.43 ' HE3' ' HD2' ' A' ' 15' ' ' ARG . 34.1 t90 -75.52 -56.53 4.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.303 0.482 . . . . 0.8 112.303 -174.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.43 ' HD2' ' HE3' ' A' ' 14' ' ' TRP . 2.6 mpt_? . . . . . 0 C--N 1.327 -0.37 0 N-CA-C 113.069 0.766 . . . . 1.76 113.069 -169.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 5' ' ' ARG . 9.8 ttp180 . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.708 0.29 . . . . 3.26 111.423 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -72.45 -36.76 68.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.463 0.649 . . . . 0.58 109.385 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.9 t-105 -52.39 -53.35 46.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.45 -1.25 . . . . 1.07 111.647 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -66.7 -30.99 71.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.613 -0.267 . . . . 4.01 111.578 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -67.86 -48.12 67.01 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.824 -0.436 . . . . 3.99 109.824 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -55.23 -44.4 75.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.813 -0.63 . . . . 0.62 110.555 174.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.552 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -59.47 -62.76 1.63 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.702 -0.681 . . . . 0.83 110.353 179.766 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -63.75 -35.23 79.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 3.66 111.981 -172.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -74.67 -63.49 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.787 0.327 . . . . 4.31 111.7 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.644 ' HE3' ' HD2' ' A' ' 15' ' ' ARG . 7.4 t90 -75.36 -54.13 7.57 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.661 0.615 . . . . 0.8 112.661 -172.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.644 ' HD2' ' HE3' ' A' ' 14' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 1.76 110.664 -177.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 . . . . . 0 C--O 1.233 0.21 0 N-CA-C 109.22 -0.659 . . . . 5.67 109.22 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -33.99 71.26 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.359 0.503 . . . . 5.17 112.359 -173.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.689 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 52.4 p-90 -72.84 -31.07 64.52 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.946 -0.302 . . . . 1.1 111.516 -177.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.436 ' HA ' ' HB3' ' A' ' 7' ' ' TRP . 46.4 mmm-85 -62.21 -28.99 70.07 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.88 0.372 . . . . 2.46 111.061 177.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -57.17 -50.24 73.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.946 -0.57 . . . . 3.26 110.202 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.689 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 3.3 m0 -73.44 -32.63 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.58 110.406 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.436 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 49.9 t-105 -51.93 -54.02 34.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.232 -0.895 . . . . 1.07 111.487 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -70.37 -30.47 67.41 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.624 -0.431 . . . . 4.01 110.926 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 6' ' ' TRP . 74.2 mtt180 -57.71 -53.86 53.42 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.323 0.583 . . . . 3.99 109.991 173.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -56.38 -47.17 79.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.066 -0.97 . . . . 0.62 111.17 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.422 ' HZ3' ' OXT' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -57.42 -56.62 19.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.628 . . . . 0.83 110.356 -178.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.633 ' HD3' ' O ' ' A' ' 16' ' ' ARG . 12.2 tpp180 -62.6 -31.72 72.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 3.66 111.153 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -73.26 -63.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.259 0.466 . . . . 4.31 112.259 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.2 t90 -75.39 -56.5 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.686 0.624 . . . . 0.8 112.686 -170.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.603 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 2.3 mpt_? -72.58 -65.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.667 -0.242 . . . . 1.76 111.057 -171.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.633 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 28.5 tpt85 . . . . . 0 C--O 1.242 0.676 0 O-C-N 124.21 0.944 . . . . 5.17 110.799 171.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.852 0.358 . . . . 5.67 110.08 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.475 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 2.4 ppt_? -66.62 -29.14 69.11 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.158 0.429 . . . . 5.17 112.158 -177.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.544 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 36.7 p-90 -60.85 -29.18 69.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.795 0.331 . . . . 1.1 111.077 179.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 11.7 mmm180 -57.29 -28.85 63.39 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.203 -0.453 . . . . 2.46 111.761 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -54.61 -53.32 56.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.038 0.447 . . . . 3.26 110.468 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.544 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 2.4 m0 -73.24 -31.32 64.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.962 -0.563 . . . . 0.58 110.226 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.436 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 50.0 t-105 -50.97 -48.05 61.2 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.253 -0.885 . . . . 1.07 111.077 176.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 4' ' ' ARG . 37.9 mtm180 -63.11 -36.04 82.28 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.14 -0.482 . . . . 4.01 110.954 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -66.12 -37.1 84.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.64 -0.709 . . . . 3.99 110.338 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -71.89 -41.32 68.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.806 -0.634 . . . . 0.62 110.529 174.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.684 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -59.96 -61.41 2.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.823 -0.626 . . . . 0.83 111.202 -175.455 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -65.45 -33.54 76.18 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.463 0.542 . . . . 3.66 112.463 -173.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -73.5 -60.29 2.31 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.78 0.659 . . . . 4.31 112.78 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -74.65 -64.81 0.96 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.627 0.603 . . . . 0.8 112.627 -172.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.684 ' HD3' ' HA ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -76.47 -37.6 56.63 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 111.91 0.337 . . . . 1.76 111.91 -174.695 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.248 1.021 0 O-C-N 123.875 0.734 . . . . 5.17 112.145 175.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.938 0.399 . . . . 5.67 110.765 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.561 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 2.2 ppt_? -73.07 -31.99 64.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.068 -0.515 . . . . 5.17 112.15 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.734 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 51.5 p-90 -72.53 -30.9 64.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.066 0.395 . . . . 1.1 112.066 -175.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.432 ' HA ' ' HB3' ' A' ' 7' ' ' TRP . 13.3 mmm180 -61.22 -28.44 69.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.548 0.203 . . . . 2.46 111.548 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -58.08 -53.55 56.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.873 0.368 . . . . 3.26 110.469 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.734 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 3.4 m0 -67.89 -33.55 74.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.526 -0.546 . . . . 0.58 109.526 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.477 ' O ' ' HB2' ' A' ' 11' ' ' TRP . 50.7 t-105 -55.27 -45.54 76.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.987 -1.006 . . . . 1.07 110.993 175.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.59 ' HA ' ' HE ' ' A' ' 8' ' ' ARG . 2.0 mmp_? -63.9 -41.29 97.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.94 0.4 . . . . 4.01 110.785 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -61.12 -47.38 86.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.792 -0.64 . . . . 3.99 110.676 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -43.16 95.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.675 -0.693 . . . . 0.62 110.9 176.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.734 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -55.73 -63.3 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.474 -0.785 . . . . 0.83 111.329 -174.065 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 29.4 mmt180 -65.36 -27.94 68.93 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.189 0.441 . . . . 3.66 112.189 -175.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -72.5 -63.13 1.22 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.273 -0.571 . . . . 4.31 111.954 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -75.27 -65.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.622 0.601 . . . . 0.8 112.622 -171.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.734 ' HD3' ' HA ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -76.55 -32.69 58.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.602 -0.272 . . . . 1.76 111.223 -177.387 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.005 0 O-C-N 124.168 0.917 . . . . 5.17 112.433 171.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.624 0.25 . . . . 5.67 111.35 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -60.64 -48.51 81.48 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.537 0.684 . . . . 5.17 110.626 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.655 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 25.5 p-90 -65.23 -30.13 70.99 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.569 -1.196 . . . . 1.1 111.704 -176.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.638 ' HA ' ' HB3' ' A' ' 7' ' ' TRP . 10.7 mmm180 -62.47 -29.33 70.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.468 -0.333 . . . . 2.46 111.237 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -56.82 -50.02 73.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 3.26 110.346 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.655 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 2.8 m0 -72.83 -37.26 67.52 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.531 -0.544 . . . . 0.58 109.531 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.638 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 36.3 t-105 -52.42 -52.14 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.613 -1.176 . . . . 1.07 111.807 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -66.18 -38.06 87.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.923 0.342 . . . . 4.01 111.923 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -67.06 -45.7 76.6 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.528 -0.545 . . . . 3.99 109.528 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.89 -44.85 78.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.209 -0.905 . . . . 0.62 110.371 175.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -57.21 -61.91 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.643 -0.708 . . . . 0.83 110.478 -178.597 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 21.4 tpp180 -67.56 -30.36 69.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.428 -0.351 . . . . 3.66 111.677 -173.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.19 -57.05 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.783 -0.367 . . . . 4.31 111.598 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.436 ' HB3' ' HD2' ' A' ' 15' ' ' ARG . 7.7 t90 -74.18 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.178 -0.465 . . . . 0.8 111.903 -174.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.436 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 2.3 mpt_? -73.57 -30.25 62.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.775 -0.648 . . . . 1.76 111.462 -177.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 15.9 ptm180 . . . . . 0 C--O 1.246 0.913 0 O-C-N 124.468 1.105 . . . . 5.17 112.713 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.59 HH11 ' HZ2' ' A' ' 3' ' ' TRP . 57.9 mtt-85 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 121.185 0.517 . . . . 5.67 110.366 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.705 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 3.1 ppt_? -68.37 -31.72 71.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.56 -0.745 . . . . 5.17 112.132 -175.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.705 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 17.3 p-90 -73.46 -31.3 63.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.116 -0.493 . . . . 1.1 111.845 -175.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.611 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 30.6 mmt180 -59.27 -29.14 67.35 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 111.815 0.302 . . . . 2.46 111.815 -178.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -53.25 -59.26 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.998 0.428 . . . . 3.26 111.294 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.499 ' CZ3' ' HA ' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -72.61 -31.66 65.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.684 -0.689 . . . . 0.58 109.688 -178.041 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.478 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 39.8 t-105 -51.14 -50.21 59.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.91 -1.041 . . . . 1.07 111.245 175.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 4' ' ' ARG . 68.0 mtm180 -65.42 -36.86 85.21 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.948 -0.569 . . . . 4.01 111.169 -177.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -72.84 -33.6 66.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 3.99 110.791 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -40.6 96.14 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.155 0.502 . . . . 0.62 110.374 173.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -58.52 8.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.469 -0.787 . . . . 0.83 111.361 -175.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -65.6 -32.01 73.35 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.628 0.251 . . . . 3.66 111.606 -174.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -72.9 -61.45 1.81 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.159 -0.216 . . . . 4.31 111.405 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.5 t90 -73.41 -56.83 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.635 0.255 . . . . 0.8 111.664 -172.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -73.05 -57.26 4.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.781 0.324 . . . . 1.76 110.688 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 . . . . . 0 C--O 1.245 0.825 0 CA-C-N 115.05 -0.977 . . . . 5.17 110.756 -178.516 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 121.126 0.488 . . . . 5.67 111.542 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.649 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -60.34 -29.32 68.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.878 -0.601 . . . . 5.17 112.295 -179.152 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.649 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 36.1 p-90 -70.36 -31.35 68.57 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.051 0.389 . . . . 1.1 112.051 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -58.47 -28.36 65.26 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.866 0.365 . . . . 2.46 111.55 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -56.35 -57.61 11.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.948 -0.569 . . . . 3.26 110.849 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.537 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 1.5 m-90 -72.86 -31.87 65.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.18 0.514 . . . . 0.58 110.369 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -49.79 -53.74 23.4 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.928 -1.033 . . . . 1.07 111.956 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -67.52 -31.09 70.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.139 -0.482 . . . . 4.01 111.234 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -68.45 -41.48 80.19 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.862 0.363 . . . . 3.99 110.312 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -61.68 -46.46 89.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.66 -0.7 . . . . 0.62 110.946 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.6 -61.65 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.359 -0.837 . . . . 0.83 110.537 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 22.1 tpp180 -63.81 -29.45 70.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.329 -0.396 . . . . 3.66 111.456 -174.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -72.24 -62.55 1.39 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 111.695 0.258 . . . . 4.31 111.695 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -74.64 -56.18 5.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.156 0.503 . . . . 0.8 111.044 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -73.77 -40.23 63.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.748 -0.66 . . . . 1.76 111.183 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 31.0 ttt180 . . . . . 0 C--O 1.249 1.057 0 O-C-N 124.248 0.968 . . . . 5.17 111.587 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 . . . . . 0 N--CA 1.461 0.078 0 CA-C-O 120.294 0.092 . . . . 5.67 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -59.04 -30.74 68.25 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.187 0.518 . . . . 5.17 111.63 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.66 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 58.5 p-90 -68.23 -33.82 75.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.428 -0.806 . . . . 1.1 111.444 178.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' A' ' 7' ' ' TRP . 19.1 tpp180 -68.24 -30.15 69.14 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 121.198 0.523 . . . . 2.46 109.959 -176.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -57.31 -50.08 74.05 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.354 -0.839 . . . . 3.26 110.433 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.66 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 7.3 m0 -65.11 -41.42 94.92 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.505 -0.554 . . . . 0.58 109.505 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.477 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 12.1 t-105 -48.46 -48.61 37.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.118 -0.946 . . . . 1.07 111.324 174.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 8' ' ' ARG . 43.8 mtp180 -64.57 -48.62 74.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 4.01 111.159 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 9' ' ' ARG . 15.8 tpt180 -60.57 -41.23 94.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 3.99 110.581 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -61.79 -45.35 94.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.62 111.152 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -57.65 11.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.49 -0.777 . . . . 0.83 110.9 -174.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 18.3 tpt180 -62.61 -39.61 94.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.568 -0.287 . . . . 3.66 111.523 -177.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -70.57 -59.45 2.83 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 120.725 0.297 . . . . 4.31 111.592 -175.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -74.45 -54.19 8.05 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.206 0.447 . . . . 0.8 112.206 -172.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -73.99 -31.83 63.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.875 0.694 . . . . 1.76 112.875 -172.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.708 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 2.9 mmp_? . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.963 -0.541 . . . . 5.17 110.903 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.14 -0.689 . . . . 5.67 109.14 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.529 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 3.7 ppt_? -58.77 -29.47 66.81 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.109 0.781 . . . . 5.17 113.109 -172.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.659 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 25.3 p-90 -72.7 -30.25 64.06 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 111.973 0.36 . . . . 1.1 111.973 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.489 ' O ' ' HB3' ' A' ' 7' ' ' TRP . 12.6 mmm180 -62.55 -28.75 70.08 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.748 0.309 . . . . 2.46 110.745 177.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -53.8 -53.93 45.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.799 -0.637 . . . . 3.26 110.165 173.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.659 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 3.2 m0 -72.97 -30.59 63.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.019 -0.537 . . . . 0.58 110.614 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.489 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 41.9 t-105 -48.32 -40.16 24.31 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.637 -0.71 . . . . 1.07 110.962 173.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 4' ' ' ARG . 63.3 mtt180 -64.08 -35.1 79.63 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.12 0.486 . . . . 4.01 110.519 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -69.37 -47.69 63.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.524 -0.762 . . . . 3.99 109.509 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -55.69 -46.16 77.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.376 -0.829 . . . . 0.62 110.691 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -54.81 42.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.53 -0.759 . . . . 0.83 111.301 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -66.58 -33.18 75.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 3.66 111.865 -175.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -73.89 -63.59 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.098 0.407 . . . . 4.31 112.098 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 41.3 t90 -74.65 -50.27 18.35 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.801 0.667 . . . . 0.8 112.801 -170.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -72.5 -31.6 65.48 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.532 0.938 . . . . 1.76 113.532 -169.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.302 -0.856 . . . . 5.17 111.145 -173.099 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 120.871 0.367 . . . . 5.67 111.724 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.625 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 4.5 ppt_? -53.97 -29.88 44.68 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.572 0.582 . . . . 5.17 112.572 -178.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.625 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 26.1 p-90 -67.38 -30.5 70.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.915 -0.584 . . . . 1.1 112.169 -175.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.502 ' HA ' ' HB3' ' A' ' 7' ' ' TRP . 32.2 mmt180 -57.85 -30.15 65.56 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.901 0.334 . . . . 2.46 111.901 -177.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -57.74 -57.49 12.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.975 0.417 . . . . 3.26 111.403 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.427 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 1.2 m0 -72.01 -32.35 67.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.757 -0.656 . . . . 0.58 109.263 -178.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.502 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 29.9 t-105 -49.45 -54.95 14.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.427 -1.261 . . . . 1.07 111.464 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -72.59 -31.92 65.58 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.67 -0.412 . . . . 4.01 111.119 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 9' ' ' ARG . 16.5 mtp180 -62.6 -52.64 62.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.727 0.299 . . . . 3.99 110.906 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -60.82 -41.89 96.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.951 -0.568 . . . . 0.62 110.649 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.42 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -61.76 -54.96 35.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.662 -0.699 . . . . 0.83 111.669 -177.46 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 12' ' ' ARG . 8.0 mmt180 -72.22 -31.73 66.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.192 -0.458 . . . . 3.66 112.184 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 13' ' ' ARG . 12.7 mmm180 -73.15 -59.9 2.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.927 0.343 . . . . 4.31 111.927 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.43 ' HE3' ' HD2' ' A' ' 15' ' ' ARG . 34.1 t90 -75.52 -56.53 4.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.303 0.482 . . . . 0.8 112.303 -174.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.43 ' HD2' ' HE3' ' A' ' 14' ' ' TRP . 2.6 mpt_? -68.93 -45.11 71.64 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.069 0.766 . . . . 1.76 113.069 -169.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.443 -0.789 . . . . 5.17 111.209 -176.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.93 0.395 . . . . 5.67 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -65.62 -35.86 82.03 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.202 0.525 . . . . 5.17 111.549 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.525 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 63.9 p-90 -71.72 -31.36 66.62 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.24 -0.891 . . . . 1.1 112.207 -173.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.485 ' O ' ' HB3' ' A' ' 7' ' ' TRP . 11.7 tpp180 -62.97 -27.99 69.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.167 0.508 . . . . 2.46 110.498 -176.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 5' ' ' ARG . 9.8 ttp180 -58.74 -42.02 87.83 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.67 -0.696 . . . . 3.26 111.423 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.525 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 8.7 m0 -72.45 -36.76 68.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.463 0.649 . . . . 0.58 109.385 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.485 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 25.9 t-105 -52.39 -53.35 46.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.45 -1.25 . . . . 1.07 111.647 176.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -66.7 -30.99 71.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.613 -0.267 . . . . 4.01 111.578 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -67.86 -48.12 67.01 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.824 -0.436 . . . . 3.99 109.824 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -55.23 -44.4 75.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.813 -0.63 . . . . 0.62 110.555 174.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.552 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -59.47 -62.76 1.63 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.702 -0.681 . . . . 0.83 110.353 179.766 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -63.75 -35.23 79.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 3.66 111.981 -172.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -74.67 -63.49 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.787 0.327 . . . . 4.31 111.7 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.644 ' HE3' ' HD2' ' A' ' 15' ' ' ARG . 7.4 t90 -75.36 -54.13 7.57 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.661 0.615 . . . . 0.8 112.661 -172.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.644 ' HD2' ' HE3' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -63.02 -53.29 56.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 1.76 110.664 -177.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.88 0 O-C-N 124.04 0.837 . . . . 5.17 110.399 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 120.864 0.364 . . . . 2.7 110.202 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.415 ' O ' ' HB2' ' A' ' 9' ' ' ARG . 3.3 m0 -73.44 -32.63 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.49 110.406 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -51.93 -54.02 34.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.232 -0.895 . . . . 0.91 111.487 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -70.37 -30.47 67.41 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.624 -0.431 . . . . 3.45 110.926 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 6' ' ' TRP . 74.2 mtt180 -57.71 -53.86 53.42 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.323 0.583 . . . . 3.48 109.991 173.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -56.38 -47.17 79.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.066 -0.97 . . . . 0.53 111.17 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -57.42 -56.62 19.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.628 . . . . 0.71 110.356 -178.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -62.6 -31.72 72.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 3.27 111.153 -175.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -73.26 -63.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.259 0.466 . . . . 3.47 112.259 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.2 t90 -75.39 -56.5 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.686 0.624 . . . . 0.71 112.686 -170.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.667 -0.242 . . . . 1.35 111.057 -171.04 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 . . . . . 0 C--O 1.236 0.362 0 CA-C-O 121.038 0.447 . . . . 2.7 110.468 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -73.24 -31.32 64.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.962 -0.563 . . . . 0.49 110.226 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -50.97 -48.05 61.2 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.253 -0.885 . . . . 0.91 111.077 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -63.11 -36.04 82.28 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.14 -0.482 . . . . 3.45 110.954 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -66.12 -37.1 84.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.64 -0.709 . . . . 3.48 110.338 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -71.89 -41.32 68.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.806 -0.634 . . . . 0.53 110.529 174.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.708 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -59.96 -61.41 2.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.823 -0.626 . . . . 0.71 111.202 -175.455 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -65.45 -33.54 76.18 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.463 0.542 . . . . 3.27 112.463 -173.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -73.5 -60.29 2.31 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.78 0.659 . . . . 3.47 112.78 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -74.65 -64.81 0.96 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.627 0.603 . . . . 0.71 112.627 -172.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.708 ' HD3' ' HA ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.151 0 N-CA-C 111.91 0.337 . . . . 1.35 111.91 -174.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.873 0.368 . . . . 2.7 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.4 m0 -67.89 -33.55 74.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.526 -0.546 . . . . 0.49 109.526 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.488 ' O ' ' HB2' ' A' ' 11' ' ' TRP . 50.7 t-105 -55.27 -45.54 76.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.987 -1.006 . . . . 0.91 110.993 175.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.616 ' HA ' ' HE ' ' A' ' 8' ' ' ARG . 2.0 mmp_? -63.9 -41.29 97.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.94 0.4 . . . . 3.45 110.785 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -61.12 -47.38 86.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.792 -0.64 . . . . 3.48 110.676 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -43.16 95.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.675 -0.693 . . . . 0.53 110.9 176.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.764 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -55.73 -63.3 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.474 -0.785 . . . . 0.71 111.329 -174.065 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -65.36 -27.94 68.93 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.189 0.441 . . . . 3.27 112.189 -175.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -72.5 -63.13 1.22 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.273 -0.571 . . . . 3.47 111.954 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -75.27 -65.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.622 0.601 . . . . 0.71 112.622 -171.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.764 ' HD3' ' HA ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.602 -0.272 . . . . 1.35 111.223 -177.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 121.179 0.514 . . . . 2.7 110.346 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -72.83 -37.26 67.52 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.531 -0.544 . . . . 0.49 109.531 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.3 t-105 -52.42 -52.14 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.613 -1.176 . . . . 0.91 111.807 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -66.18 -38.06 87.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.923 0.342 . . . . 3.45 111.923 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -67.06 -45.7 76.6 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.528 -0.545 . . . . 3.48 109.528 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.89 -44.85 78.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.209 -0.905 . . . . 0.53 110.371 175.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -57.21 -61.91 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.643 -0.708 . . . . 0.71 110.478 -178.597 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -67.56 -30.36 69.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.428 -0.351 . . . . 3.27 111.677 -173.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.19 -57.05 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.783 -0.367 . . . . 3.47 111.598 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.454 ' HB3' ' HD2' ' A' ' 15' ' ' ARG . 7.7 t90 -74.18 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.178 -0.465 . . . . 0.71 111.903 -174.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 2.3 mpt_? . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.775 -0.648 . . . . 1.35 111.462 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.998 0.428 . . . . 2.7 111.294 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -72.61 -31.66 65.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.684 -0.689 . . . . 0.49 109.688 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -51.14 -50.21 59.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.91 -1.041 . . . . 0.91 111.245 175.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -65.42 -36.86 85.21 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.948 -0.569 . . . . 3.45 111.169 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -72.84 -33.6 66.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 3.48 110.791 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -40.6 96.14 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.155 0.502 . . . . 0.53 110.374 173.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -58.52 8.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.469 -0.787 . . . . 0.71 111.361 -175.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -65.6 -32.01 73.35 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.628 0.251 . . . . 3.27 111.606 -174.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -72.9 -61.45 1.81 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.159 -0.216 . . . . 3.47 111.405 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.5 t90 -73.41 -56.83 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.635 0.255 . . . . 0.71 111.664 -172.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 120.781 0.324 . . . . 1.35 110.688 -178.271 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 14.2 ttm180 . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 120.888 0.375 . . . . 2.7 110.849 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -72.86 -31.87 65.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.18 0.514 . . . . 0.49 110.369 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -49.79 -53.74 23.4 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.928 -1.033 . . . . 0.91 111.956 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 20.3 ptp180 -67.52 -31.09 70.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.139 -0.482 . . . . 3.45 111.234 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -68.45 -41.48 80.19 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.862 0.363 . . . . 3.48 110.312 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -61.68 -46.46 89.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.66 -0.7 . . . . 0.53 110.946 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.6 -61.65 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.359 -0.837 . . . . 0.71 110.537 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 12' ' ' ARG . 22.1 tpp180 -63.81 -29.45 70.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.329 -0.396 . . . . 3.27 111.456 -174.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -72.24 -62.55 1.39 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 111.695 0.258 . . . . 3.47 111.695 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -74.64 -56.18 5.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.156 0.503 . . . . 0.71 111.044 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.748 -0.66 . . . . 1.35 111.183 -175.182 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.714 0.292 . . . . 2.7 110.433 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -65.11 -41.42 94.92 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.505 -0.554 . . . . 0.49 109.505 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -48.46 -48.61 37.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.118 -0.946 . . . . 0.91 111.324 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 8' ' ' ARG . 43.8 mtp180 -64.57 -48.62 74.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 3.45 111.159 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 9' ' ' ARG . 15.8 tpt180 -60.57 -41.23 94.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 3.48 110.581 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -61.79 -45.35 94.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.53 111.152 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -57.65 11.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.49 -0.777 . . . . 0.71 110.9 -174.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -62.61 -39.61 94.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.568 -0.287 . . . . 3.27 111.523 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -70.57 -59.45 2.83 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 120.725 0.297 . . . . 3.47 111.592 -175.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -74.45 -54.19 8.05 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.206 0.447 . . . . 0.71 112.206 -172.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 C--N 1.327 -0.377 0 N-CA-C 112.875 0.694 . . . . 1.35 112.875 -172.765 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 121.131 0.491 . . . . 2.7 110.165 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -72.97 -30.59 63.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.019 -0.537 . . . . 0.49 110.614 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.9 t-105 -48.32 -40.16 24.31 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.637 -0.71 . . . . 0.91 110.962 173.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -64.08 -35.1 79.63 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.12 0.486 . . . . 3.45 110.519 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -69.37 -47.69 63.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.524 -0.762 . . . . 3.48 109.509 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -55.69 -46.16 77.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.376 -0.829 . . . . 0.53 110.691 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -54.81 42.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.53 -0.759 . . . . 0.71 111.301 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -66.58 -33.18 75.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 3.27 111.865 -175.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -73.89 -63.59 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.098 0.407 . . . . 3.47 112.098 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 41.3 t90 -74.65 -50.27 18.35 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.801 0.667 . . . . 0.71 112.801 -170.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--N 1.327 -0.373 0 N-CA-C 113.532 0.938 . . . . 1.35 113.532 -169.579 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.975 0.417 . . . . 2.7 111.403 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -72.01 -32.35 67.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.757 -0.656 . . . . 0.49 109.263 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.433 ' O ' ' HB2' ' A' ' 11' ' ' TRP . 29.9 t-105 -49.45 -54.95 14.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.427 -1.261 . . . . 0.91 111.464 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -72.59 -31.92 65.58 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.67 -0.412 . . . . 3.45 111.119 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 9' ' ' ARG . 16.5 mtp180 -62.6 -52.64 62.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.727 0.299 . . . . 3.48 110.906 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -60.82 -41.89 96.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.951 -0.568 . . . . 0.53 110.649 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.433 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -61.76 -54.96 35.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.662 -0.699 . . . . 0.71 111.669 -177.46 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 12' ' ' ARG . 8.0 mmt180 -72.22 -31.73 66.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.192 -0.458 . . . . 3.27 112.184 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -73.15 -59.9 2.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.927 0.343 . . . . 3.47 111.927 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.412 ' HE3' ' HD2' ' A' ' 15' ' ' ARG . 34.1 t90 -75.52 -56.53 4.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.303 0.482 . . . . 0.71 112.303 -174.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 2.6 mpt_? . . . . . 0 C--N 1.327 -0.37 0 N-CA-C 113.069 0.766 . . . . 1.35 113.069 -169.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 5' ' ' ARG . 9.8 ttp180 . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.708 0.29 . . . . 2.7 111.423 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -72.45 -36.76 68.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.463 0.649 . . . . 0.49 109.385 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.9 t-105 -52.39 -53.35 46.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.45 -1.25 . . . . 0.91 111.647 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -66.7 -30.99 71.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.613 -0.267 . . . . 3.45 111.578 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -67.86 -48.12 67.01 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.824 -0.436 . . . . 3.48 109.824 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -55.23 -44.4 75.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.813 -0.63 . . . . 0.53 110.555 174.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.562 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -59.47 -62.76 1.63 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.702 -0.681 . . . . 0.71 110.353 179.766 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -63.75 -35.23 79.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 3.27 111.981 -172.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -74.67 -63.49 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.787 0.327 . . . . 3.47 111.7 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.653 ' HE3' ' HD2' ' A' ' 15' ' ' ARG . 7.4 t90 -75.36 -54.13 7.57 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.661 0.615 . . . . 0.71 112.661 -172.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.653 ' HD2' ' HE3' ' A' ' 14' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 1.35 110.664 -177.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 . . . . . 0 C--O 1.233 0.21 0 N-CA-C 109.22 -0.659 . . . . 5.01 109.22 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -33.99 71.26 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.359 0.503 . . . . 4.44 112.359 -173.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.7 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 52.4 p-90 -72.84 -31.07 64.52 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.946 -0.302 . . . . 0.96 111.516 -177.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.459 ' HA ' ' HB3' ' A' ' 7' ' ' TRP . 46.4 mmm-85 -62.21 -28.99 70.07 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.88 0.372 . . . . 1.91 111.061 177.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -57.17 -50.24 73.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.946 -0.57 . . . . 2.7 110.202 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.7 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 3.3 m0 -73.44 -32.63 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.49 110.406 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.459 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 49.9 t-105 -51.93 -54.02 34.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.232 -0.895 . . . . 0.91 111.487 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -70.37 -30.47 67.41 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.624 -0.431 . . . . 3.45 110.926 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 6' ' ' TRP . 74.2 mtt180 -57.71 -53.86 53.42 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.323 0.583 . . . . 3.48 109.991 173.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -56.38 -47.17 79.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.066 -0.97 . . . . 0.53 111.17 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.422 ' HZ3' ' OXT' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -57.42 -56.62 19.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.628 . . . . 0.71 110.356 -178.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.645 ' HD3' ' O ' ' A' ' 16' ' ' ARG . 12.2 tpp180 -62.6 -31.72 72.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 3.27 111.153 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -73.26 -63.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.259 0.466 . . . . 3.47 112.259 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.2 t90 -75.39 -56.5 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.686 0.624 . . . . 0.71 112.686 -170.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.614 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 2.3 mpt_? -72.58 -65.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.667 -0.242 . . . . 1.35 111.057 -171.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.645 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 28.5 tpt85 . . . . . 0 C--O 1.242 0.676 0 O-C-N 124.21 0.944 . . . . 4.43 110.799 171.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.852 0.358 . . . . 5.01 110.08 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.494 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 2.4 ppt_? -66.62 -29.14 69.11 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.158 0.429 . . . . 4.44 112.158 -177.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.558 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 36.7 p-90 -60.85 -29.18 69.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.795 0.331 . . . . 0.96 111.077 179.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 11.7 mmm180 -57.29 -28.85 63.39 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.203 -0.453 . . . . 1.91 111.761 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -54.61 -53.32 56.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.038 0.447 . . . . 2.7 110.468 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 2.4 m0 -73.24 -31.32 64.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.962 -0.563 . . . . 0.49 110.226 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.458 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 50.0 t-105 -50.97 -48.05 61.2 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.253 -0.885 . . . . 0.91 111.077 176.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 4' ' ' ARG . 37.9 mtm180 -63.11 -36.04 82.28 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.14 -0.482 . . . . 3.45 110.954 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -66.12 -37.1 84.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.64 -0.709 . . . . 3.48 110.338 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -71.89 -41.32 68.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.806 -0.634 . . . . 0.53 110.529 174.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.708 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -59.96 -61.41 2.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.823 -0.626 . . . . 0.71 111.202 -175.455 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -65.45 -33.54 76.18 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.463 0.542 . . . . 3.27 112.463 -173.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -73.5 -60.29 2.31 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.78 0.659 . . . . 3.47 112.78 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -74.65 -64.81 0.96 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.627 0.603 . . . . 0.71 112.627 -172.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.708 ' HD3' ' HA ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -76.47 -37.6 56.63 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 111.91 0.337 . . . . 1.35 111.91 -174.695 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.248 1.021 0 O-C-N 123.875 0.734 . . . . 4.43 112.145 175.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.938 0.399 . . . . 5.01 110.765 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.577 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 2.2 ppt_? -73.07 -31.99 64.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.068 -0.515 . . . . 4.44 112.15 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.741 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 51.5 p-90 -72.53 -30.9 64.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.066 0.395 . . . . 0.96 112.066 -175.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.462 ' HA ' ' HB3' ' A' ' 7' ' ' TRP . 13.3 mmm180 -61.22 -28.44 69.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.548 0.203 . . . . 1.91 111.548 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -58.08 -53.55 56.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.873 0.368 . . . . 2.7 110.469 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.741 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 3.4 m0 -67.89 -33.55 74.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.526 -0.546 . . . . 0.49 109.526 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.488 ' O ' ' HB2' ' A' ' 11' ' ' TRP . 50.7 t-105 -55.27 -45.54 76.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.987 -1.006 . . . . 0.91 110.993 175.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.616 ' HA ' ' HE ' ' A' ' 8' ' ' ARG . 2.0 mmp_? -63.9 -41.29 97.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.94 0.4 . . . . 3.45 110.785 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -61.12 -47.38 86.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.792 -0.64 . . . . 3.48 110.676 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -43.16 95.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.675 -0.693 . . . . 0.53 110.9 176.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.764 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -55.73 -63.3 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.474 -0.785 . . . . 0.71 111.329 -174.065 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 29.4 mmt180 -65.36 -27.94 68.93 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.189 0.441 . . . . 3.27 112.189 -175.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -72.5 -63.13 1.22 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.273 -0.571 . . . . 3.47 111.954 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -75.27 -65.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.622 0.601 . . . . 0.71 112.622 -171.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.764 ' HD3' ' HA ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -76.55 -32.69 58.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.602 -0.272 . . . . 1.35 111.223 -177.387 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.005 0 O-C-N 124.168 0.917 . . . . 4.43 112.433 171.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.624 0.25 . . . . 5.01 111.35 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -60.64 -48.51 81.48 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.537 0.684 . . . . 4.44 110.626 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.663 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 25.5 p-90 -65.23 -30.13 70.99 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.569 -1.196 . . . . 0.96 111.704 -176.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.664 ' HA ' ' HB3' ' A' ' 7' ' ' TRP . 10.7 mmm180 -62.47 -29.33 70.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.468 -0.333 . . . . 1.91 111.237 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -56.82 -50.02 73.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 2.7 110.346 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.663 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 2.8 m0 -72.83 -37.26 67.52 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.531 -0.544 . . . . 0.49 109.531 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.664 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 36.3 t-105 -52.42 -52.14 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.613 -1.176 . . . . 0.91 111.807 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -66.18 -38.06 87.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.923 0.342 . . . . 3.45 111.923 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -67.06 -45.7 76.6 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.528 -0.545 . . . . 3.48 109.528 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.89 -44.85 78.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.209 -0.905 . . . . 0.53 110.371 175.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -57.21 -61.91 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.643 -0.708 . . . . 0.71 110.478 -178.597 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 21.4 tpp180 -67.56 -30.36 69.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.428 -0.351 . . . . 3.27 111.677 -173.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.19 -57.05 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.783 -0.367 . . . . 3.47 111.598 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.454 ' HB3' ' HD2' ' A' ' 15' ' ' ARG . 7.7 t90 -74.18 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.178 -0.465 . . . . 0.71 111.903 -174.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 2.3 mpt_? -73.57 -30.25 62.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.775 -0.648 . . . . 1.35 111.462 -177.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 15.9 ptm180 . . . . . 0 C--O 1.246 0.913 0 O-C-N 124.468 1.105 . . . . 4.43 112.713 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.607 HH11 ' HZ2' ' A' ' 3' ' ' TRP . 57.9 mtt-85 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 121.185 0.517 . . . . 5.01 110.366 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.709 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 3.1 ppt_? -68.37 -31.72 71.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.56 -0.745 . . . . 4.44 112.132 -175.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.709 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 17.3 p-90 -73.46 -31.3 63.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.116 -0.493 . . . . 0.96 111.845 -175.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.608 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 30.6 mmt180 -59.27 -29.14 67.35 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 111.815 0.302 . . . . 1.91 111.815 -178.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -53.25 -59.26 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.998 0.428 . . . . 2.7 111.294 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.5 ' CZ3' ' HA ' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -72.61 -31.66 65.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.684 -0.689 . . . . 0.49 109.688 -178.041 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.499 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 39.8 t-105 -51.14 -50.21 59.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.91 -1.041 . . . . 0.91 111.245 175.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.608 ' HG3' ' O ' ' A' ' 4' ' ' ARG . 68.0 mtm180 -65.42 -36.86 85.21 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.948 -0.569 . . . . 3.45 111.169 -177.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -72.84 -33.6 66.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 3.48 110.791 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -40.6 96.14 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.155 0.502 . . . . 0.53 110.374 173.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -58.52 8.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.469 -0.787 . . . . 0.71 111.361 -175.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -65.6 -32.01 73.35 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.628 0.251 . . . . 3.27 111.606 -174.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -72.9 -61.45 1.81 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.159 -0.216 . . . . 3.47 111.405 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.5 t90 -73.41 -56.83 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.635 0.255 . . . . 0.71 111.664 -172.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -73.05 -57.26 4.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.781 0.324 . . . . 1.35 110.688 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 . . . . . 0 C--O 1.245 0.825 0 CA-C-N 115.05 -0.977 . . . . 4.43 110.756 -178.516 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 121.126 0.488 . . . . 5.01 111.542 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.658 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -60.34 -29.32 68.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.878 -0.601 . . . . 4.44 112.295 -179.152 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.658 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 36.1 p-90 -70.36 -31.35 68.57 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.051 0.389 . . . . 0.96 112.051 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -58.47 -28.36 65.26 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.866 0.365 . . . . 1.91 111.55 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 14.2 ttm180 -56.35 -57.61 11.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.948 -0.569 . . . . 2.7 110.849 177.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.549 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 1.5 m-90 -72.86 -31.87 65.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.18 0.514 . . . . 0.49 110.369 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -49.79 -53.74 23.4 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.928 -1.033 . . . . 0.91 111.956 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 20.3 ptp180 -67.52 -31.09 70.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.139 -0.482 . . . . 3.45 111.234 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -68.45 -41.48 80.19 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.862 0.363 . . . . 3.48 110.312 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -61.68 -46.46 89.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.66 -0.7 . . . . 0.53 110.946 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.6 -61.65 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.359 -0.837 . . . . 0.71 110.537 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 22.1 tpp180 -63.81 -29.45 70.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.329 -0.396 . . . . 3.27 111.456 -174.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -72.24 -62.55 1.39 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 111.695 0.258 . . . . 3.47 111.695 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -74.64 -56.18 5.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.156 0.503 . . . . 0.71 111.044 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -73.77 -40.23 63.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.748 -0.66 . . . . 1.35 111.183 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 31.0 ttt180 . . . . . 0 C--O 1.249 1.057 0 O-C-N 124.248 0.968 . . . . 4.43 111.587 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 . . . . . 0 N--CA 1.461 0.078 0 CA-C-O 120.294 0.092 . . . . 5.01 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -59.04 -30.74 68.25 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.187 0.518 . . . . 4.44 111.63 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.672 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 58.5 p-90 -68.23 -33.82 75.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.428 -0.806 . . . . 0.96 111.444 178.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' O ' ' HB3' ' A' ' 7' ' ' TRP . 19.1 tpp180 -68.24 -30.15 69.14 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 121.198 0.523 . . . . 1.91 109.959 -176.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -57.31 -50.08 74.05 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.354 -0.839 . . . . 2.7 110.433 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.672 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 7.3 m0 -65.11 -41.42 94.92 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.505 -0.554 . . . . 0.49 109.505 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.483 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 12.1 t-105 -48.46 -48.61 37.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.118 -0.946 . . . . 0.91 111.324 174.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 8' ' ' ARG . 43.8 mtp180 -64.57 -48.62 74.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 3.45 111.159 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 9' ' ' ARG . 15.8 tpt180 -60.57 -41.23 94.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 3.48 110.581 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -61.79 -45.35 94.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.53 111.152 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -57.65 11.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.49 -0.777 . . . . 0.71 110.9 -174.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 18.3 tpt180 -62.61 -39.61 94.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.568 -0.287 . . . . 3.27 111.523 -177.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -70.57 -59.45 2.83 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 120.725 0.297 . . . . 3.47 111.592 -175.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -74.45 -54.19 8.05 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.206 0.447 . . . . 0.71 112.206 -172.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -73.99 -31.83 63.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.875 0.694 . . . . 1.35 112.875 -172.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.677 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 2.9 mmp_? . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.963 -0.541 . . . . 4.43 110.903 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.14 -0.689 . . . . 5.01 109.14 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.54 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 3.7 ppt_? -58.77 -29.47 66.81 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.109 0.781 . . . . 4.44 113.109 -172.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.666 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 25.3 p-90 -72.7 -30.25 64.06 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 111.973 0.36 . . . . 0.96 111.973 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.506 ' O ' ' HB3' ' A' ' 7' ' ' TRP . 12.6 mmm180 -62.55 -28.75 70.08 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.748 0.309 . . . . 1.91 110.745 177.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -53.8 -53.93 45.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.799 -0.637 . . . . 2.7 110.165 173.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.666 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 3.2 m0 -72.97 -30.59 63.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.019 -0.537 . . . . 0.49 110.614 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.506 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 41.9 t-105 -48.32 -40.16 24.31 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.637 -0.71 . . . . 0.91 110.962 173.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 4' ' ' ARG . 63.3 mtt180 -64.08 -35.1 79.63 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.12 0.486 . . . . 3.45 110.519 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -69.37 -47.69 63.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.524 -0.762 . . . . 3.48 109.509 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -55.69 -46.16 77.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.376 -0.829 . . . . 0.53 110.691 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -54.81 42.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.53 -0.759 . . . . 0.71 111.301 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -66.58 -33.18 75.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 3.27 111.865 -175.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -73.89 -63.59 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.098 0.407 . . . . 3.47 112.098 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 41.3 t90 -74.65 -50.27 18.35 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.801 0.667 . . . . 0.71 112.801 -170.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -72.5 -31.6 65.48 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.532 0.938 . . . . 1.35 113.532 -169.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.302 -0.856 . . . . 4.43 111.145 -173.099 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 120.871 0.367 . . . . 5.01 111.724 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.631 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 4.5 ppt_? -53.97 -29.88 44.68 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.572 0.582 . . . . 4.44 112.572 -178.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.631 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 26.1 p-90 -67.38 -30.5 70.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.915 -0.584 . . . . 0.96 112.169 -175.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.522 ' HA ' ' HB3' ' A' ' 7' ' ' TRP . 32.2 mmt180 -57.85 -30.15 65.56 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.901 0.334 . . . . 1.91 111.901 -177.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -57.74 -57.49 12.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.975 0.417 . . . . 2.7 111.403 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.437 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 1.2 m0 -72.01 -32.35 67.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.757 -0.656 . . . . 0.49 109.263 -178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.522 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 29.9 t-105 -49.45 -54.95 14.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.427 -1.261 . . . . 0.91 111.464 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -72.59 -31.92 65.58 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.67 -0.412 . . . . 3.45 111.119 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 9' ' ' ARG . 16.5 mtp180 -62.6 -52.64 62.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.727 0.299 . . . . 3.48 110.906 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -60.82 -41.89 96.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.951 -0.568 . . . . 0.53 110.649 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.433 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -61.76 -54.96 35.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.662 -0.699 . . . . 0.71 111.669 -177.46 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 12' ' ' ARG . 8.0 mmt180 -72.22 -31.73 66.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.192 -0.458 . . . . 3.27 112.184 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -73.15 -59.9 2.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.927 0.343 . . . . 3.47 111.927 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.412 ' HE3' ' HD2' ' A' ' 15' ' ' ARG . 34.1 t90 -75.52 -56.53 4.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.303 0.482 . . . . 0.71 112.303 -174.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 2.6 mpt_? -68.93 -45.11 71.64 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.069 0.766 . . . . 1.35 113.069 -169.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.443 -0.789 . . . . 4.43 111.209 -176.957 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.93 0.395 . . . . 5.01 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -65.62 -35.86 82.03 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.202 0.525 . . . . 4.44 111.549 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.535 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 63.9 p-90 -71.72 -31.36 66.62 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.24 -0.891 . . . . 0.96 112.207 -173.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.493 ' O ' ' HB3' ' A' ' 7' ' ' TRP . 11.7 tpp180 -62.97 -27.99 69.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.167 0.508 . . . . 1.91 110.498 -176.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 5' ' ' ARG . 9.8 ttp180 -58.74 -42.02 87.83 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.67 -0.696 . . . . 2.7 111.423 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.535 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 8.7 m0 -72.45 -36.76 68.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.463 0.649 . . . . 0.49 109.385 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.493 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 25.9 t-105 -52.39 -53.35 46.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.45 -1.25 . . . . 0.91 111.647 176.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -66.7 -30.99 71.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.613 -0.267 . . . . 3.45 111.578 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -67.86 -48.12 67.01 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.824 -0.436 . . . . 3.48 109.824 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -55.23 -44.4 75.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.813 -0.63 . . . . 0.53 110.555 174.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.562 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -59.47 -62.76 1.63 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.702 -0.681 . . . . 0.71 110.353 179.766 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -63.75 -35.23 79.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 3.27 111.981 -172.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -74.67 -63.49 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.787 0.327 . . . . 3.47 111.7 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.653 ' HE3' ' HD2' ' A' ' 15' ' ' ARG . 7.4 t90 -75.36 -54.13 7.57 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.661 0.615 . . . . 0.71 112.661 -172.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.653 ' HD2' ' HE3' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -63.02 -53.29 56.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 1.35 110.664 -177.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.88 0 O-C-N 124.04 0.837 . . . . 4.43 110.399 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 120.864 0.364 . . . . 2.7 110.202 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.415 ' O ' ' HB2' ' A' ' 9' ' ' ARG . 3.3 m0 -73.44 -32.63 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.49 110.406 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -51.93 -54.02 34.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.232 -0.895 . . . . 0.91 111.487 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -70.37 -30.47 67.41 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.624 -0.431 . . . . 3.45 110.926 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 6' ' ' TRP . 74.2 mtt180 -57.71 -53.86 53.42 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.323 0.583 . . . . 3.48 109.991 173.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -56.38 -47.17 79.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.066 -0.97 . . . . 0.53 111.17 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -57.42 -56.62 19.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.628 . . . . 0.71 110.356 -178.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -62.6 -31.72 72.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 3.27 111.153 -175.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -73.26 -63.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.259 0.466 . . . . 3.47 112.259 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.2 t90 -75.39 -56.5 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.686 0.624 . . . . 0.71 112.686 -170.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.667 -0.242 . . . . 1.35 111.057 -171.04 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 . . . . . 0 C--O 1.236 0.362 0 CA-C-O 121.038 0.447 . . . . 2.7 110.468 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -73.24 -31.32 64.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.962 -0.563 . . . . 0.49 110.226 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -50.97 -48.05 61.2 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.253 -0.885 . . . . 0.91 111.077 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -63.11 -36.04 82.28 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.14 -0.482 . . . . 3.45 110.954 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -66.12 -37.1 84.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.64 -0.709 . . . . 3.48 110.338 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -71.89 -41.32 68.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.806 -0.634 . . . . 0.53 110.529 174.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.708 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -59.96 -61.41 2.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.823 -0.626 . . . . 0.71 111.202 -175.455 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -65.45 -33.54 76.18 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.463 0.542 . . . . 3.27 112.463 -173.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -73.5 -60.29 2.31 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.78 0.659 . . . . 3.47 112.78 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -74.65 -64.81 0.96 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.627 0.603 . . . . 0.71 112.627 -172.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.708 ' HD3' ' HA ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.151 0 N-CA-C 111.91 0.337 . . . . 1.35 111.91 -174.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.873 0.368 . . . . 2.7 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.4 m0 -67.89 -33.55 74.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.526 -0.546 . . . . 0.49 109.526 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.488 ' O ' ' HB2' ' A' ' 11' ' ' TRP . 50.7 t-105 -55.27 -45.54 76.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.987 -1.006 . . . . 0.91 110.993 175.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.616 ' HA ' ' HE ' ' A' ' 8' ' ' ARG . 2.0 mmp_? -63.9 -41.29 97.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.94 0.4 . . . . 3.45 110.785 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -61.12 -47.38 86.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.792 -0.64 . . . . 3.48 110.676 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -43.16 95.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.675 -0.693 . . . . 0.53 110.9 176.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.764 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -55.73 -63.3 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.474 -0.785 . . . . 0.71 111.329 -174.065 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -65.36 -27.94 68.93 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.189 0.441 . . . . 3.27 112.189 -175.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -72.5 -63.13 1.22 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.273 -0.571 . . . . 3.47 111.954 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -75.27 -65.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.622 0.601 . . . . 0.71 112.622 -171.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.764 ' HD3' ' HA ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.602 -0.272 . . . . 1.35 111.223 -177.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 . . . . . 0 CA--C 1.53 0.206 0 CA-C-O 121.179 0.514 . . . . 2.7 110.346 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -72.83 -37.26 67.52 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.531 -0.544 . . . . 0.49 109.531 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.3 t-105 -52.42 -52.14 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.613 -1.176 . . . . 0.91 111.807 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -66.18 -38.06 87.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.923 0.342 . . . . 3.45 111.923 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -67.06 -45.7 76.6 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.528 -0.545 . . . . 3.48 109.528 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.89 -44.85 78.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.209 -0.905 . . . . 0.53 110.371 175.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -57.21 -61.91 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.643 -0.708 . . . . 0.71 110.478 -178.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -67.56 -30.36 69.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.428 -0.351 . . . . 3.27 111.677 -173.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.19 -57.05 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.783 -0.367 . . . . 3.47 111.598 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.454 ' HB3' ' HD2' ' A' ' 15' ' ' ARG . 7.7 t90 -74.18 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.178 -0.465 . . . . 0.71 111.903 -174.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 2.3 mpt_? . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.775 -0.648 . . . . 1.35 111.462 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.998 0.428 . . . . 2.7 111.294 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -72.61 -31.66 65.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.684 -0.689 . . . . 0.49 109.688 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -51.14 -50.21 59.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.91 -1.041 . . . . 0.91 111.245 175.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -65.42 -36.86 85.21 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.948 -0.569 . . . . 3.45 111.169 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -72.84 -33.6 66.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 3.48 110.791 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -40.6 96.14 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.155 0.502 . . . . 0.53 110.374 173.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -58.52 8.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.469 -0.787 . . . . 0.71 111.361 -175.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -65.6 -32.01 73.35 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.628 0.251 . . . . 3.27 111.606 -174.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -72.9 -61.45 1.81 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.159 -0.216 . . . . 3.47 111.405 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.5 t90 -73.41 -56.83 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.635 0.255 . . . . 0.71 111.664 -172.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 120.781 0.324 . . . . 1.35 110.688 -178.271 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 14.2 ttm180 . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 120.888 0.375 . . . . 2.7 110.849 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -72.86 -31.87 65.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.18 0.514 . . . . 0.49 110.369 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -49.79 -53.74 23.4 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.928 -1.033 . . . . 0.91 111.956 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 20.3 ptp180 -67.52 -31.09 70.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.139 -0.482 . . . . 3.45 111.234 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -68.45 -41.48 80.19 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.862 0.363 . . . . 3.48 110.312 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -61.68 -46.46 89.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.66 -0.7 . . . . 0.53 110.946 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.6 -61.65 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.359 -0.837 . . . . 0.71 110.537 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 12' ' ' ARG . 22.1 tpp180 -63.81 -29.45 70.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.329 -0.396 . . . . 3.27 111.456 -174.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -72.24 -62.55 1.39 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 111.695 0.258 . . . . 3.47 111.695 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -74.64 -56.18 5.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.156 0.503 . . . . 0.71 111.044 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.748 -0.66 . . . . 1.35 111.183 -175.182 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.714 0.292 . . . . 2.7 110.433 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -65.11 -41.42 94.92 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.505 -0.554 . . . . 0.49 109.505 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -48.46 -48.61 37.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.118 -0.946 . . . . 0.91 111.324 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 8' ' ' ARG . 43.8 mtp180 -64.57 -48.62 74.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 3.45 111.159 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 9' ' ' ARG . 15.8 tpt180 -60.57 -41.23 94.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 3.48 110.581 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -61.79 -45.35 94.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.53 111.152 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -57.65 11.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.49 -0.777 . . . . 0.71 110.9 -174.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -62.61 -39.61 94.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.568 -0.287 . . . . 3.27 111.523 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -70.57 -59.45 2.83 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 120.725 0.297 . . . . 3.47 111.592 -175.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -74.45 -54.19 8.05 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.206 0.447 . . . . 0.71 112.206 -172.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 C--N 1.327 -0.377 0 N-CA-C 112.875 0.694 . . . . 1.35 112.875 -172.765 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 121.131 0.491 . . . . 2.7 110.165 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -72.97 -30.59 63.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.019 -0.537 . . . . 0.49 110.614 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.9 t-105 -48.32 -40.16 24.31 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.637 -0.71 . . . . 0.91 110.962 173.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -64.08 -35.1 79.63 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.12 0.486 . . . . 3.45 110.519 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -69.37 -47.69 63.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.524 -0.762 . . . . 3.48 109.509 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -55.69 -46.16 77.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.376 -0.829 . . . . 0.53 110.691 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -54.81 42.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.53 -0.759 . . . . 0.71 111.301 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -66.58 -33.18 75.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 3.27 111.865 -175.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -73.89 -63.59 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.098 0.407 . . . . 3.47 112.098 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 41.3 t90 -74.65 -50.27 18.35 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.801 0.667 . . . . 0.71 112.801 -170.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--N 1.327 -0.373 0 N-CA-C 113.532 0.938 . . . . 1.35 113.532 -169.579 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.975 0.417 . . . . 2.7 111.403 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -72.01 -32.35 67.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.757 -0.656 . . . . 0.49 109.263 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.433 ' O ' ' HB2' ' A' ' 11' ' ' TRP . 29.9 t-105 -49.45 -54.95 14.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.427 -1.261 . . . . 0.91 111.464 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -72.59 -31.92 65.58 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.67 -0.412 . . . . 3.45 111.119 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 9' ' ' ARG . 16.5 mtp180 -62.6 -52.64 62.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.727 0.299 . . . . 3.48 110.906 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -60.82 -41.89 96.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.951 -0.568 . . . . 0.53 110.649 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.433 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -61.76 -54.96 35.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.662 -0.699 . . . . 0.71 111.669 -177.46 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 12' ' ' ARG . 8.0 mmt180 -72.22 -31.73 66.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.192 -0.458 . . . . 3.27 112.184 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -73.15 -59.9 2.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.927 0.343 . . . . 3.47 111.927 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.412 ' HE3' ' HD2' ' A' ' 15' ' ' ARG . 34.1 t90 -75.52 -56.53 4.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.303 0.482 . . . . 0.71 112.303 -174.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 2.6 mpt_? . . . . . 0 C--N 1.327 -0.37 0 N-CA-C 113.069 0.766 . . . . 1.35 113.069 -169.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 5' ' ' ARG . 9.8 ttp180 . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.708 0.29 . . . . 2.7 111.423 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -72.45 -36.76 68.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.463 0.649 . . . . 0.49 109.385 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 25.9 t-105 -52.39 -53.35 46.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.45 -1.25 . . . . 0.91 111.647 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -66.7 -30.99 71.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.613 -0.267 . . . . 3.45 111.578 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -67.86 -48.12 67.01 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.824 -0.436 . . . . 3.48 109.824 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -55.23 -44.4 75.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.813 -0.63 . . . . 0.53 110.555 174.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.562 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -59.47 -62.76 1.63 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.702 -0.681 . . . . 0.71 110.353 179.766 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -63.75 -35.23 79.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 3.27 111.981 -172.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -74.67 -63.49 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.787 0.327 . . . . 3.47 111.7 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.653 ' HE3' ' HD2' ' A' ' 15' ' ' ARG . 7.4 t90 -75.36 -54.13 7.57 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.661 0.615 . . . . 0.71 112.661 -172.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.653 ' HD2' ' HE3' ' A' ' 14' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 1.35 110.664 -177.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 . . . . . 0 C--O 1.233 0.21 0 N-CA-C 109.22 -0.659 . . . . 5.01 109.22 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -33.99 71.26 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.359 0.503 . . . . 4.44 112.359 -173.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.7 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 52.4 p-90 -72.84 -31.07 64.52 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.946 -0.302 . . . . 0.96 111.516 -177.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.459 ' HA ' ' HB3' ' A' ' 7' ' ' TRP . 46.4 mmm-85 -62.21 -28.99 70.07 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.88 0.372 . . . . 1.91 111.061 177.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -57.17 -50.24 73.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.946 -0.57 . . . . 2.7 110.202 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.7 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 3.3 m0 -73.44 -32.63 64.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.49 110.406 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.459 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 49.9 t-105 -51.93 -54.02 34.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.232 -0.895 . . . . 0.91 111.487 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -70.37 -30.47 67.41 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.624 -0.431 . . . . 3.45 110.926 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 6' ' ' TRP . 74.2 mtt180 -57.71 -53.86 53.42 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.323 0.583 . . . . 3.48 109.991 173.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -56.38 -47.17 79.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.066 -0.97 . . . . 0.53 111.17 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.422 ' HZ3' ' OXT' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -57.42 -56.62 19.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.628 . . . . 0.71 110.356 -178.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.645 ' HD3' ' O ' ' A' ' 16' ' ' ARG . 12.2 tpp180 -62.6 -31.72 72.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 3.27 111.153 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -73.26 -63.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.259 0.466 . . . . 3.47 112.259 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.2 t90 -75.39 -56.5 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.686 0.624 . . . . 0.71 112.686 -170.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.614 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 2.3 mpt_? -72.58 -65.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.667 -0.242 . . . . 1.35 111.057 -171.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.645 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 28.5 tpt85 . . . . . 0 C--O 1.242 0.676 0 O-C-N 124.21 0.944 . . . . 4.43 110.799 171.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.852 0.358 . . . . 5.01 110.08 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.494 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 2.4 ppt_? -66.62 -29.14 69.11 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.158 0.429 . . . . 4.44 112.158 -177.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.558 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 36.7 p-90 -60.85 -29.18 69.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.795 0.331 . . . . 0.96 111.077 179.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 11.7 mmm180 -57.29 -28.85 63.39 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.203 -0.453 . . . . 1.91 111.761 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -54.61 -53.32 56.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.038 0.447 . . . . 2.7 110.468 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 2.4 m0 -73.24 -31.32 64.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.962 -0.563 . . . . 0.49 110.226 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.458 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 50.0 t-105 -50.97 -48.05 61.2 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.253 -0.885 . . . . 0.91 111.077 176.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 4' ' ' ARG . 37.9 mtm180 -63.11 -36.04 82.28 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.14 -0.482 . . . . 3.45 110.954 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -66.12 -37.1 84.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.64 -0.709 . . . . 3.48 110.338 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -71.89 -41.32 68.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.806 -0.634 . . . . 0.53 110.529 174.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.708 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -59.96 -61.41 2.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.823 -0.626 . . . . 0.71 111.202 -175.455 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -65.45 -33.54 76.18 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.463 0.542 . . . . 3.27 112.463 -173.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -73.5 -60.29 2.31 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.78 0.659 . . . . 3.47 112.78 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -74.65 -64.81 0.96 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.627 0.603 . . . . 0.71 112.627 -172.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.708 ' HD3' ' HA ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -76.47 -37.6 56.63 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 111.91 0.337 . . . . 1.35 111.91 -174.695 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.248 1.021 0 O-C-N 123.875 0.734 . . . . 4.43 112.145 175.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.938 0.399 . . . . 5.01 110.765 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.577 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 2.2 ppt_? -73.07 -31.99 64.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.068 -0.515 . . . . 4.44 112.15 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.741 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 51.5 p-90 -72.53 -30.9 64.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.066 0.395 . . . . 0.96 112.066 -175.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.462 ' HA ' ' HB3' ' A' ' 7' ' ' TRP . 13.3 mmm180 -61.22 -28.44 69.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.548 0.203 . . . . 1.91 111.548 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -58.08 -53.55 56.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.873 0.368 . . . . 2.7 110.469 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.741 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 3.4 m0 -67.89 -33.55 74.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.526 -0.546 . . . . 0.49 109.526 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.488 ' O ' ' HB2' ' A' ' 11' ' ' TRP . 50.7 t-105 -55.27 -45.54 76.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.987 -1.006 . . . . 0.91 110.993 175.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.616 ' HA ' ' HE ' ' A' ' 8' ' ' ARG . 2.0 mmp_? -63.9 -41.29 97.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.94 0.4 . . . . 3.45 110.785 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -61.12 -47.38 86.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.792 -0.64 . . . . 3.48 110.676 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -43.16 95.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.675 -0.693 . . . . 0.53 110.9 176.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.764 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -55.73 -63.3 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.474 -0.785 . . . . 0.71 111.329 -174.065 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 29.4 mmt180 -65.36 -27.94 68.93 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.189 0.441 . . . . 3.27 112.189 -175.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -72.5 -63.13 1.22 Allowed 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.273 -0.571 . . . . 3.47 111.954 178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -75.27 -65.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.622 0.601 . . . . 0.71 112.622 -171.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.764 ' HD3' ' HA ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -76.55 -32.69 58.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.602 -0.272 . . . . 1.35 111.223 -177.387 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.005 0 O-C-N 124.168 0.917 . . . . 4.43 112.433 171.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.624 0.25 . . . . 5.01 111.35 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -60.64 -48.51 81.48 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.537 0.684 . . . . 4.44 110.626 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.663 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 25.5 p-90 -65.23 -30.13 70.99 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.569 -1.196 . . . . 0.96 111.704 -176.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.664 ' HA ' ' HB3' ' A' ' 7' ' ' TRP . 10.7 mmm180 -62.47 -29.33 70.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.468 -0.333 . . . . 1.91 111.237 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -56.82 -50.02 73.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 2.7 110.346 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.663 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 2.8 m0 -72.83 -37.26 67.52 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.531 -0.544 . . . . 0.49 109.531 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.664 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 36.3 t-105 -52.42 -52.14 55.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.613 -1.176 . . . . 0.91 111.807 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -66.18 -38.06 87.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.923 0.342 . . . . 3.45 111.923 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -67.06 -45.7 76.6 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.528 -0.545 . . . . 3.48 109.528 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.89 -44.85 78.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.209 -0.905 . . . . 0.53 110.371 175.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -57.21 -61.91 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.643 -0.708 . . . . 0.71 110.478 -178.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 21.4 tpp180 -67.56 -30.36 69.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.428 -0.351 . . . . 3.27 111.677 -173.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.19 -57.05 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.783 -0.367 . . . . 3.47 111.598 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.454 ' HB3' ' HD2' ' A' ' 15' ' ' ARG . 7.7 t90 -74.18 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.178 -0.465 . . . . 0.71 111.903 -174.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 2.3 mpt_? -73.57 -30.25 62.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.775 -0.648 . . . . 1.35 111.462 -177.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 15.9 ptm180 . . . . . 0 C--O 1.246 0.913 0 O-C-N 124.468 1.105 . . . . 4.43 112.713 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.607 HH11 ' HZ2' ' A' ' 3' ' ' TRP . 57.9 mtt-85 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 121.185 0.517 . . . . 5.01 110.366 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.709 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 3.1 ppt_? -68.37 -31.72 71.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.56 -0.745 . . . . 4.44 112.132 -175.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.709 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 17.3 p-90 -73.46 -31.3 63.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.116 -0.493 . . . . 0.96 111.845 -175.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.608 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 30.6 mmt180 -59.27 -29.14 67.35 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 111.815 0.302 . . . . 1.91 111.815 -178.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -53.25 -59.26 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.998 0.428 . . . . 2.7 111.294 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.5 ' CZ3' ' HA ' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -72.61 -31.66 65.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.684 -0.689 . . . . 0.49 109.688 -178.041 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.499 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 39.8 t-105 -51.14 -50.21 59.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.91 -1.041 . . . . 0.91 111.245 175.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.608 ' HG3' ' O ' ' A' ' 4' ' ' ARG . 68.0 mtm180 -65.42 -36.86 85.21 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.948 -0.569 . . . . 3.45 111.169 -177.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -72.84 -33.6 66.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 3.48 110.791 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -40.6 96.14 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.155 0.502 . . . . 0.53 110.374 173.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -58.52 8.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.469 -0.787 . . . . 0.71 111.361 -175.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -65.6 -32.01 73.35 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.628 0.251 . . . . 3.27 111.606 -174.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -72.9 -61.45 1.81 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.159 -0.216 . . . . 3.47 111.405 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.5 t90 -73.41 -56.83 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.635 0.255 . . . . 0.71 111.664 -172.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -73.05 -57.26 4.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.781 0.324 . . . . 1.35 110.688 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 . . . . . 0 C--O 1.245 0.825 0 CA-C-N 115.05 -0.977 . . . . 4.43 110.756 -178.516 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 121.126 0.488 . . . . 5.01 111.542 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.658 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -60.34 -29.32 68.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.878 -0.601 . . . . 4.44 112.295 -179.152 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.658 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 36.1 p-90 -70.36 -31.35 68.57 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.051 0.389 . . . . 0.96 112.051 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -58.47 -28.36 65.26 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.866 0.365 . . . . 1.91 111.55 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 14.2 ttm180 -56.35 -57.61 11.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.948 -0.569 . . . . 2.7 110.849 177.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.549 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 1.5 m-90 -72.86 -31.87 65.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.18 0.514 . . . . 0.49 110.369 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -49.79 -53.74 23.4 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.928 -1.033 . . . . 0.91 111.956 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 20.3 ptp180 -67.52 -31.09 70.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.139 -0.482 . . . . 3.45 111.234 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -68.45 -41.48 80.19 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.862 0.363 . . . . 3.48 110.312 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -61.68 -46.46 89.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.66 -0.7 . . . . 0.53 110.946 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.6 -61.65 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.359 -0.837 . . . . 0.71 110.537 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 22.1 tpp180 -63.81 -29.45 70.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.329 -0.396 . . . . 3.27 111.456 -174.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -72.24 -62.55 1.39 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 111.695 0.258 . . . . 3.47 111.695 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -74.64 -56.18 5.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.156 0.503 . . . . 0.71 111.044 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -73.77 -40.23 63.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.748 -0.66 . . . . 1.35 111.183 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 31.0 ttt180 . . . . . 0 C--O 1.249 1.057 0 O-C-N 124.248 0.968 . . . . 4.43 111.587 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 . . . . . 0 N--CA 1.461 0.078 0 CA-C-O 120.294 0.092 . . . . 5.01 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -59.04 -30.74 68.25 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.187 0.518 . . . . 4.44 111.63 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.672 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 58.5 p-90 -68.23 -33.82 75.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.428 -0.806 . . . . 0.96 111.444 178.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' O ' ' HB3' ' A' ' 7' ' ' TRP . 19.1 tpp180 -68.24 -30.15 69.14 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 121.198 0.523 . . . . 1.91 109.959 -176.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -57.31 -50.08 74.05 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.354 -0.839 . . . . 2.7 110.433 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.672 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 7.3 m0 -65.11 -41.42 94.92 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.505 -0.554 . . . . 0.49 109.505 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.483 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 12.1 t-105 -48.46 -48.61 37.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.118 -0.946 . . . . 0.91 111.324 174.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 8' ' ' ARG . 43.8 mtp180 -64.57 -48.62 74.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 3.45 111.159 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 9' ' ' ARG . 15.8 tpt180 -60.57 -41.23 94.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 3.48 110.581 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -61.79 -45.35 94.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.521 . . . . 0.53 111.152 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -57.65 11.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.49 -0.777 . . . . 0.71 110.9 -174.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 16' ' ' ARG . 18.3 tpt180 -62.61 -39.61 94.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.568 -0.287 . . . . 3.27 111.523 -177.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -70.57 -59.45 2.83 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 120.725 0.297 . . . . 3.47 111.592 -175.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.0 t90 -74.45 -54.19 8.05 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.206 0.447 . . . . 0.71 112.206 -172.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -73.99 -31.83 63.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.875 0.694 . . . . 1.35 112.875 -172.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.677 ' HE ' ' HA ' ' A' ' 16' ' ' ARG . 2.9 mmp_? . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.963 -0.541 . . . . 4.43 110.903 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.14 -0.689 . . . . 5.01 109.14 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.54 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 3.7 ppt_? -58.77 -29.47 66.81 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.109 0.781 . . . . 4.44 113.109 -172.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.666 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 25.3 p-90 -72.7 -30.25 64.06 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 111.973 0.36 . . . . 0.96 111.973 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.506 ' O ' ' HB3' ' A' ' 7' ' ' TRP . 12.6 mmm180 -62.55 -28.75 70.08 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.748 0.309 . . . . 1.91 110.745 177.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -53.8 -53.93 45.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.799 -0.637 . . . . 2.7 110.165 173.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.666 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 3.2 m0 -72.97 -30.59 63.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.019 -0.537 . . . . 0.49 110.614 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.506 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 41.9 t-105 -48.32 -40.16 24.31 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.637 -0.71 . . . . 0.91 110.962 173.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 4' ' ' ARG . 63.3 mtt180 -64.08 -35.1 79.63 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.12 0.486 . . . . 3.45 110.519 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -69.37 -47.69 63.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.524 -0.762 . . . . 3.48 109.509 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -55.69 -46.16 77.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.376 -0.829 . . . . 0.53 110.691 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -54.81 42.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.53 -0.759 . . . . 0.71 111.301 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -66.58 -33.18 75.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 3.27 111.865 -175.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -73.89 -63.59 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.098 0.407 . . . . 3.47 112.098 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 41.3 t90 -74.65 -50.27 18.35 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.801 0.667 . . . . 0.71 112.801 -170.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -72.5 -31.6 65.48 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.532 0.938 . . . . 1.35 113.532 -169.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.302 -0.856 . . . . 4.43 111.145 -173.099 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 120.871 0.367 . . . . 5.01 111.724 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.631 ' HD2' ' N ' ' A' ' 3' ' ' TRP . 4.5 ppt_? -53.97 -29.88 44.68 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.572 0.582 . . . . 4.44 112.572 -178.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.631 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 26.1 p-90 -67.38 -30.5 70.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.915 -0.584 . . . . 0.96 112.169 -175.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.522 ' HA ' ' HB3' ' A' ' 7' ' ' TRP . 32.2 mmt180 -57.85 -30.15 65.56 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.901 0.334 . . . . 1.91 111.901 -177.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -57.74 -57.49 12.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.975 0.417 . . . . 2.7 111.403 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.437 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 1.2 m0 -72.01 -32.35 67.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.757 -0.656 . . . . 0.49 109.263 -178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.522 ' HB3' ' HA ' ' A' ' 4' ' ' ARG . 29.9 t-105 -49.45 -54.95 14.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.427 -1.261 . . . . 0.91 111.464 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -72.59 -31.92 65.58 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.67 -0.412 . . . . 3.45 111.119 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 9' ' ' ARG . 16.5 mtp180 -62.6 -52.64 62.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.727 0.299 . . . . 3.48 110.906 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -60.82 -41.89 96.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.951 -0.568 . . . . 0.53 110.649 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.433 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -61.76 -54.96 35.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.662 -0.699 . . . . 0.71 111.669 -177.46 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 12' ' ' ARG . 8.0 mmt180 -72.22 -31.73 66.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.192 -0.458 . . . . 3.27 112.184 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -73.15 -59.9 2.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.927 0.343 . . . . 3.47 111.927 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.412 ' HE3' ' HD2' ' A' ' 15' ' ' ARG . 34.1 t90 -75.52 -56.53 4.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.303 0.482 . . . . 0.71 112.303 -174.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 2.6 mpt_? -68.93 -45.11 71.64 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.069 0.766 . . . . 1.35 113.069 -169.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.443 -0.789 . . . . 4.43 111.209 -176.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.93 0.395 . . . . 5.01 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -65.62 -35.86 82.03 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.202 0.525 . . . . 4.44 111.549 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.535 ' HA ' ' CE3' ' A' ' 6' ' ' TRP . 63.9 p-90 -71.72 -31.36 66.62 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.24 -0.891 . . . . 0.96 112.207 -173.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.493 ' O ' ' HB3' ' A' ' 7' ' ' TRP . 11.7 tpp180 -62.97 -27.99 69.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.167 0.508 . . . . 1.91 110.498 -176.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 5' ' ' ARG . 9.8 ttp180 -58.74 -42.02 87.83 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.67 -0.696 . . . . 2.7 111.423 174.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.535 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 8.7 m0 -72.45 -36.76 68.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.463 0.649 . . . . 0.49 109.385 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.493 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 25.9 t-105 -52.39 -53.35 46.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.45 -1.25 . . . . 0.91 111.647 176.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -66.7 -30.99 71.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.613 -0.267 . . . . 3.45 111.578 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -67.86 -48.12 67.01 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.824 -0.436 . . . . 3.48 109.824 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -55.23 -44.4 75.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.813 -0.63 . . . . 0.53 110.555 174.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.562 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -59.47 -62.76 1.63 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.702 -0.681 . . . . 0.71 110.353 179.766 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -63.75 -35.23 79.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 3.27 111.981 -172.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -74.67 -63.49 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.787 0.327 . . . . 3.47 111.7 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.653 ' HE3' ' HD2' ' A' ' 15' ' ' ARG . 7.4 t90 -75.36 -54.13 7.57 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.661 0.615 . . . . 0.71 112.661 -172.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.653 ' HD2' ' HE3' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -63.02 -53.29 56.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 1.35 110.664 -177.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.88 0 O-C-N 124.04 0.837 . . . . 4.43 110.399 176.833 . . . . . . . . 1 1 . 1 stop_ save_